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 1p81_1_C 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 DTVREIRGFA 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 0.000 176.279 176.300 -0.035 0.000 2.045 27 D CA 0.000 53.982 54.000 -0.031 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 28 S N 0.118 115.794 115.700 -0.040 0.000 2.937 28 S HA 0.320 4.789 4.470 -0.000 0.000 0.252 28 S C 1.474 176.038 174.600 -0.060 0.000 1.022 28 S CA -0.254 57.919 58.200 -0.044 0.000 1.079 28 S CB -0.052 63.129 63.200 -0.031 0.000 1.035 28 S HN 0.114 nan 8.310 nan 0.000 0.594 29 L N 1.252 122.433 121.223 -0.070 0.000 2.027 29 L HA 0.185 4.525 4.340 -0.000 0.000 0.206 29 L C 1.693 178.483 176.870 -0.134 0.000 1.074 29 L CA 0.929 55.720 54.840 -0.082 0.000 0.745 29 L CB -1.163 40.854 42.059 -0.070 0.000 0.898 29 L HN 0.410 nan 8.230 nan 0.000 0.433 30 A N 1.207 123.895 122.820 -0.220 0.000 2.520 30 A HA 0.243 4.563 4.320 -0.000 0.000 0.235 30 A C -1.977 175.469 177.584 -0.230 0.000 1.065 30 A CA -0.872 50.911 52.037 -0.424 0.000 0.764 30 A CB -0.738 17.780 19.000 -0.803 0.000 1.002 30 A HN 0.086 nan 8.150 nan 0.000 0.502 31 P HA 0.118 nan 4.420 nan 0.000 0.271 31 P C 0.144 177.443 177.300 -0.003 0.000 1.218 31 P CA -0.030 63.047 63.100 -0.038 0.000 0.780 31 P CB 0.817 32.532 31.700 0.025 0.000 0.901 32 E N 1.402 121.605 120.200 0.005 0.000 2.204 32 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 32 E C 1.101 177.724 176.600 0.038 0.000 0.989 32 E CA 1.414 57.824 56.400 0.016 0.000 0.824 32 E CB -0.482 29.222 29.700 0.007 0.000 0.756 32 E HN 0.501 nan 8.360 nan 0.000 0.477 33 D N -1.454 118.973 120.400 0.045 0.000 2.363 33 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 33 D C 1.177 177.522 176.300 0.074 0.000 1.020 33 D CA 0.778 54.807 54.000 0.049 0.000 0.892 33 D CB -0.395 40.427 40.800 0.037 0.000 0.900 33 D HN 0.182 nan 8.370 nan 0.000 0.531 34 G N 0.521 109.403 108.800 0.137 0.000 2.179 34 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 34 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 34 G C 0.943 175.911 174.900 0.114 0.000 1.010 34 G CA 0.841 46.058 45.100 0.195 0.000 0.736 34 G HN 0.689 nan 8.290 nan 0.000 0.513 35 S N 0.145 115.935 115.700 0.150 0.000 2.607 35 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 35 S C 1.845 176.498 174.600 0.088 0.000 0.969 35 S CA 1.015 59.261 58.200 0.077 0.000 0.927 35 S CB -0.435 62.804 63.200 0.065 0.000 0.772 35 S HN 0.939 nan 8.310 nan 0.000 0.533 36 H N 0.804 119.882 119.070 0.012 0.000 2.535 36 H HA 0.297 4.853 4.556 -0.000 0.000 0.273 36 H C 0.734 176.074 175.328 0.020 0.000 0.983 36 H CA 0.090 56.147 56.048 0.014 0.000 1.238 36 H CB -0.254 29.516 29.762 0.012 0.000 1.412 36 H HN 0.338 nan 8.280 nan 0.000 0.562 37 R N 2.455 122.621 120.500 -0.558 0.000 2.255 37 R HA 0.336 4.676 4.340 -0.000 0.000 0.326 37 R C -2.618 173.588 176.300 -0.157 0.000 0.986 37 R CA -1.985 53.885 56.100 -0.384 0.000 0.847 37 R CB 0.940 30.940 30.300 -0.500 0.000 1.111 37 R HN 0.089 nan 8.270 nan 0.000 0.452 38 P HA 0.097 nan 4.420 nan 0.000 0.271 38 P C -0.928 176.363 177.300 -0.015 0.000 1.216 38 P CA -0.291 62.799 63.100 -0.018 0.000 0.771 38 P CB 1.073 32.788 31.700 0.025 0.000 0.864 39 A N 3.274 126.090 122.820 -0.007 0.000 2.565 39 A HA 0.314 4.634 4.320 -0.000 0.000 0.237 39 A C 0.946 178.538 177.584 0.015 0.000 1.053 39 A CA 0.300 52.337 52.037 0.000 0.000 0.755 39 A CB -0.472 18.532 19.000 0.005 0.000 0.980 39 A HN 0.593 nan 8.150 nan 0.000 0.506 40 A N 3.429 126.258 122.820 0.014 0.000 3.126 40 A HA 0.522 4.842 4.320 -0.000 0.000 0.268 40 A C 0.295 177.895 177.584 0.027 0.000 1.605 40 A CA 0.156 52.207 52.037 0.024 0.000 1.305 40 A CB -0.789 18.223 19.000 0.019 0.000 1.160 40 A HN 0.947 nan 8.150 nan 0.000 0.609 41 E N -0.690 119.529 120.200 0.031 0.000 2.401 41 E HA 0.433 4.783 4.350 -0.000 0.000 0.280 41 E C -3.294 173.327 176.600 0.035 0.000 1.039 41 E CA -2.385 54.035 56.400 0.033 0.000 0.814 41 E CB 0.449 30.163 29.700 0.024 0.000 1.275 41 E HN 0.041 nan 8.360 nan 0.000 0.448 42 P HA 0.066 nan 4.420 nan 0.000 0.262 42 P C -0.866 176.442 177.300 0.013 0.000 1.199 42 P CA 0.422 63.537 63.100 0.024 0.000 0.763 42 P CB 0.391 32.095 31.700 0.007 0.000 0.790 43 T N 1.365 115.924 114.554 0.008 0.000 2.912 43 T HA 0.584 4.934 4.350 -0.000 0.000 0.299 43 T C -2.973 171.704 174.700 -0.038 0.000 1.052 43 T CA -2.713 59.387 62.100 -0.001 0.000 0.996 43 T CB 1.661 70.534 68.868 0.008 0.000 1.070 43 T HN 0.043 nan 8.240 nan 0.000 0.465 44 P HA 0.274 nan 4.420 nan 0.000 0.269 44 P C -2.707 174.468 177.300 -0.209 0.000 1.215 44 P CA -1.326 61.642 63.100 -0.219 0.000 0.780 44 P CB -0.982 30.663 31.700 -0.092 0.000 0.898 45 P HA 0.013 nan 4.420 nan 0.000 0.261 45 P C 1.110 178.364 177.300 -0.077 0.000 1.183 45 P CA 1.610 64.609 63.100 -0.169 0.000 0.761 45 P CB -0.394 31.193 31.700 -0.188 0.000 0.785 46 G N 3.097 111.881 108.800 -0.027 0.000 2.199 46 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 46 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 46 G C 1.148 176.048 174.900 0.000 0.000 0.982 46 G CA 0.382 45.480 45.100 -0.004 0.000 0.632 46 G HN 0.663 nan 8.290 nan 0.000 0.529 47 A N -1.098 121.718 122.820 -0.006 0.000 1.968 47 A HA 0.405 4.725 4.320 -0.000 0.000 0.217 47 A C 1.336 178.925 177.584 0.008 0.000 1.169 47 A CA 2.050 54.088 52.037 0.002 0.000 0.638 47 A CB -0.009 18.990 19.000 -0.000 0.000 0.812 47 A HN 0.534 nan 8.150 nan 0.000 0.446 48 Q N -1.137 118.671 119.800 0.013 0.000 2.456 48 Q HA 0.428 4.768 4.340 -0.000 0.000 0.284 48 Q C -3.011 173.006 176.000 0.028 0.000 1.061 48 Q CA -2.083 53.731 55.803 0.019 0.000 0.799 48 Q CB 0.856 29.608 28.738 0.023 0.000 1.445 48 Q HN 0.057 nan 8.270 nan 0.000 0.411 49 P HA 0.035 nan 4.420 nan 0.000 0.268 49 P C -0.182 177.152 177.300 0.057 0.000 1.205 49 P CA 0.103 63.221 63.100 0.029 0.000 0.771 49 P CB 0.202 31.916 31.700 0.024 0.000 0.858 50 T N -0.386 114.203 114.554 0.059 0.000 2.813 50 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 50 T C 0.056 174.850 174.700 0.157 0.000 1.036 50 T CA -0.459 61.728 62.100 0.145 0.000 1.044 50 T CB 0.655 69.556 68.868 0.055 0.000 0.993 50 T HN 0.595 nan 8.240 nan 0.000 0.535 51 A N 1.421 124.430 122.820 0.316 0.000 2.602 51 A HA 0.770 5.090 4.320 -0.000 0.000 0.290 51 A C -3.035 174.812 177.584 0.440 0.000 1.114 51 A CA -2.005 50.193 52.037 0.269 0.000 0.683 51 A CB 0.578 19.684 19.000 0.178 0.000 1.281 51 A HN 0.667 nan 8.150 nan 0.000 0.416 52 P HA 0.118 nan 4.420 nan 0.000 0.262 52 P C 1.280 178.728 177.300 0.246 0.000 1.182 52 P CA 1.031 64.343 63.100 0.354 0.000 0.761 52 P CB 0.453 32.288 31.700 0.225 0.000 0.795 53 G N 3.403 112.313 108.800 0.184 0.000 2.624 53 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.221 53 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.221 53 G C 1.577 176.494 174.900 0.028 0.000 1.169 53 G CA 1.422 46.538 45.100 0.028 0.000 0.771 53 G HN 0.598 nan 8.290 nan 0.000 0.598 54 S N -0.016 115.703 115.700 0.032 0.000 2.515 54 S HA 0.169 4.639 4.470 -0.000 0.000 0.231 54 S C 2.228 176.846 174.600 0.031 0.000 0.987 54 S CA 0.926 59.132 58.200 0.010 0.000 0.936 54 S CB -0.138 63.059 63.200 -0.005 0.000 0.766 54 S HN 0.344 nan 8.310 nan 0.000 0.528 55 L N -0.052 121.206 121.223 0.058 0.000 2.202 55 L HA 0.233 4.573 4.340 -0.000 0.000 0.205 55 L C 2.696 179.599 176.870 0.054 0.000 1.083 55 L CA 0.838 55.712 54.840 0.056 0.000 0.790 55 L CB -0.349 41.752 42.059 0.071 0.000 0.942 55 L HN 0.241 nan 8.230 nan 0.000 0.452 56 K N 1.478 121.921 120.400 0.071 0.000 2.057 56 K HA -0.002 4.318 4.320 -0.000 0.000 0.206 56 K C 0.717 177.346 176.600 0.047 0.000 1.050 56 K CA 1.415 57.743 56.287 0.069 0.000 0.935 56 K CB 0.044 32.599 32.500 0.091 0.000 0.715 56 K HN 0.155 nan 8.250 nan 0.000 0.439 57 A N 0.788 123.628 122.820 0.033 0.000 3.317 57 A HA 0.353 4.673 4.320 -0.000 0.000 0.307 57 A C -2.184 175.405 177.584 0.008 0.000 1.003 57 A CA -1.016 51.038 52.037 0.027 0.000 0.882 57 A CB 0.670 19.688 19.000 0.030 0.000 1.136 57 A HN 0.170 nan 8.150 nan 0.000 0.488 58 P HA -0.111 nan 4.420 nan 0.000 0.223 58 P C 0.177 177.472 177.300 -0.008 0.000 1.151 58 P CA 1.073 64.173 63.100 -0.000 0.000 0.787 58 P CB 0.328 32.032 31.700 0.007 0.000 0.788 59 D N -0.654 119.746 120.400 -0.000 0.000 2.355 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.218 59 D C 0.466 176.755 176.300 -0.017 0.000 1.004 59 D CA 0.620 54.616 54.000 -0.006 0.000 0.880 59 D CB -0.362 40.441 40.800 0.005 0.000 0.911 59 D HN 0.154 nan 8.370 nan 0.000 0.528 60 T N 2.565 117.106 114.554 -0.022 0.000 2.884 60 T HA 0.287 4.636 4.350 -0.000 0.000 0.298 60 T C 0.606 175.265 174.700 -0.069 0.000 0.998 60 T CA -0.278 61.795 62.100 -0.045 0.000 1.124 60 T CB 1.290 70.127 68.868 -0.053 0.000 0.931 60 T HN 0.137 nan 8.240 nan 0.000 0.531 61 R N 1.721 122.172 120.500 -0.083 0.000 2.734 61 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 61 R C -1.642 174.599 176.300 -0.099 0.000 1.021 61 R CA -0.940 55.105 56.100 -0.092 0.000 0.893 61 R CB 1.171 31.425 30.300 -0.077 0.000 1.244 61 R HN 0.758 nan 8.270 nan 0.000 0.464 62 N N -1.500 117.144 118.700 -0.093 0.000 3.020 62 N HA 0.099 4.839 4.740 -0.000 0.000 0.248 62 N C 0.051 175.516 175.510 -0.075 0.000 1.480 62 N CA -0.488 52.518 53.050 -0.072 0.000 0.874 62 N CB 0.747 39.220 38.487 -0.024 0.000 1.433 62 N HN 0.716 nan 8.380 nan 0.000 0.530 63 E N -0.182 119.987 120.200 -0.051 0.000 2.085 63 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 63 E C 1.050 177.580 176.600 -0.117 0.000 0.994 63 E CA 1.484 57.848 56.400 -0.060 0.000 0.801 63 E CB 0.069 29.760 29.700 -0.015 0.000 0.743 63 E HN 0.489 nan 8.360 nan 0.000 0.453 64 K N 0.757 121.050 120.400 -0.179 0.000 2.025 64 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 64 K C 2.133 178.568 176.600 -0.275 0.000 1.049 64 K CA 1.247 57.334 56.287 -0.333 0.000 0.933 64 K CB -0.491 31.641 32.500 -0.614 0.000 0.714 64 K HN 0.182 nan 8.250 nan 0.000 0.438 65 L N 0.958 122.033 121.223 -0.247 0.000 2.079 65 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 65 L C 1.871 178.629 176.870 -0.187 0.000 1.081 65 L CA 1.376 56.049 54.840 -0.278 0.000 0.752 65 L CB -0.662 41.229 42.059 -0.280 0.000 0.896 65 L HN 0.258 nan 8.230 nan 0.000 0.433 66 N N -0.312 118.304 118.700 -0.141 0.000 2.188 66 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 66 N C 2.055 177.506 175.510 -0.098 0.000 1.018 66 N CA 1.648 54.636 53.050 -0.103 0.000 0.858 66 N CB -0.425 38.015 38.487 -0.078 0.000 0.989 66 N HN 0.380 nan 8.380 nan 0.000 0.426 67 S N 0.178 115.808 115.700 -0.115 0.000 2.481 67 S HA 0.070 4.540 4.470 -0.000 0.000 0.231 67 S C 1.750 176.287 174.600 -0.106 0.000 0.996 67 S CA 0.258 58.398 58.200 -0.101 0.000 0.942 67 S CB -0.406 62.731 63.200 -0.105 0.000 0.768 67 S HN 0.227 nan 8.310 nan 0.000 0.520 68 L N 0.815 121.960 121.223 -0.130 0.000 2.552 68 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 68 L C 2.626 179.447 176.870 -0.083 0.000 1.146 68 L CA 0.617 55.388 54.840 -0.115 0.000 0.858 68 L CB -0.375 41.596 42.059 -0.147 0.000 0.969 68 L HN 0.296 nan 8.230 nan 0.000 0.451 69 E N 1.190 121.344 120.200 -0.075 0.000 2.160 69 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 69 E C 1.623 178.200 176.600 -0.038 0.000 0.991 69 E CA 1.584 57.952 56.400 -0.052 0.000 0.810 69 E CB -0.041 29.631 29.700 -0.047 0.000 0.742 69 E HN 0.581 nan 8.360 nan 0.000 0.466 70 D N -0.588 119.789 120.400 -0.039 0.000 2.309 70 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 70 D C 1.568 177.852 176.300 -0.026 0.000 0.968 70 D CA 1.360 55.342 54.000 -0.029 0.000 0.882 70 D CB -0.310 40.473 40.800 -0.028 0.000 0.918 70 D HN 0.289 nan 8.370 nan 0.000 0.503 71 V N -3.643 116.253 119.914 -0.029 0.000 3.528 71 V HA 0.340 4.460 4.120 -0.000 0.000 0.294 71 V C 0.688 176.772 176.094 -0.015 0.000 1.404 71 V CA -0.740 61.548 62.300 -0.020 0.000 1.065 71 V CB -0.602 31.210 31.823 -0.018 0.000 0.904 71 V HN -0.154 nan 8.190 nan 0.000 0.435 72 R N 2.158 122.648 120.500 -0.018 0.000 2.442 72 R HA 0.459 4.799 4.340 -0.000 0.000 0.291 72 R C -0.424 175.872 176.300 -0.007 0.000 1.069 72 R CA 0.123 56.219 56.100 -0.007 0.000 1.022 72 R CB 0.651 30.947 30.300 -0.007 0.000 0.976 72 R HN 0.447 nan 8.270 nan 0.000 0.443 73 K N 1.317 121.717 120.400 -0.001 0.000 2.292 73 K HA 0.309 4.629 4.320 -0.000 0.000 0.257 73 K C 0.225 176.830 176.600 0.009 0.000 0.940 73 K CA -0.553 55.721 56.287 -0.022 0.000 0.811 73 K CB 2.333 34.809 32.500 -0.041 0.000 1.120 73 K HN 0.690 nan 8.250 nan 0.000 0.428 74 G N 0.292 109.106 108.800 0.023 0.000 2.531 74 G HA2 0.257 4.217 3.960 -0.000 0.000 0.253 74 G HA3 0.257 4.217 3.960 -0.000 0.000 0.253 74 G C 0.552 175.530 174.900 0.130 0.000 1.439 74 G CA 0.236 45.403 45.100 0.111 0.000 1.056 74 G HN 0.658 nan 8.290 nan 0.000 0.555 75 S N -2.774 113.084 115.700 0.263 0.000 2.707 75 S HA 0.085 4.555 4.470 -0.000 0.000 0.224 75 S C 0.207 174.972 174.600 0.274 0.000 0.931 75 S CA -0.078 58.283 58.200 0.269 0.000 1.243 75 S CB -0.098 63.182 63.200 0.134 0.000 0.949 75 S HN 0.503 nan 8.310 nan 0.000 0.384 76 E N 2.903 123.196 120.200 0.156 0.000 2.452 76 E HA 0.258 4.608 4.350 -0.000 0.000 0.261 76 E C -0.110 176.444 176.600 -0.076 0.000 0.987 76 E CA 0.379 56.809 56.400 0.050 0.000 0.926 76 E CB 0.059 29.776 29.700 0.029 0.000 0.934 76 E HN 0.399 nan 8.360 nan 0.000 0.452 77 N N 0.392 119.039 118.700 -0.087 0.000 2.936 77 N HA -0.217 4.523 4.740 -0.000 0.000 0.236 77 N C -0.977 174.386 175.510 -0.245 0.000 0.930 77 N CA 1.201 54.143 53.050 -0.180 0.000 0.966 77 N CB -1.236 37.096 38.487 -0.259 0.000 1.090 77 N HN 0.385 nan 8.380 nan 0.000 0.592 78 Y N 0.657 120.963 120.300 0.010 0.000 2.354 78 Y HA 0.619 5.169 4.550 -0.000 0.000 0.322 78 Y C 1.069 176.972 175.900 0.006 0.000 1.253 78 Y CA -0.292 57.813 58.100 0.008 0.000 1.272 78 Y CB 0.812 39.277 38.460 0.009 0.000 1.255 78 Y HN 0.104 nan 8.280 nan 0.000 0.500 79 A N 1.946 124.881 122.820 0.192 0.000 2.322 79 A HA 0.455 4.774 4.320 -0.000 0.000 0.269 79 A C -0.924 176.713 177.584 0.087 0.000 1.094 79 A CA -0.562 51.537 52.037 0.104 0.000 0.807 79 A CB 0.188 19.235 19.000 0.079 0.000 1.047 79 A HN 0.694 nan 8.150 nan 0.000 0.487 80 L N 2.524 123.778 121.223 0.051 0.000 2.319 80 L HA 0.539 4.878 4.340 -0.000 0.000 0.280 80 L C 0.579 177.460 176.870 0.019 0.000 1.099 80 L CA 0.906 55.762 54.840 0.028 0.000 0.828 80 L CB 0.429 42.496 42.059 0.013 0.000 1.150 80 L HN 0.904 nan 8.230 nan 0.000 0.442 81 T N 0.420 114.980 114.554 0.010 0.000 2.864 81 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 81 T C 0.245 174.951 174.700 0.009 0.000 1.082 81 T CA -0.161 61.947 62.100 0.014 0.000 1.009 81 T CB 1.051 69.930 68.868 0.017 0.000 1.234 81 T HN 0.764 nan 8.240 nan 0.000 0.526 82 T N 0.027 114.600 114.554 0.032 0.000 2.732 82 T HA 0.264 4.613 4.350 -0.000 0.000 0.287 82 T C 1.021 175.741 174.700 0.033 0.000 0.993 82 T CA -0.630 61.498 62.100 0.046 0.000 0.966 82 T CB -0.013 68.925 68.868 0.118 0.000 1.047 82 T HN 0.551 nan 8.240 nan 0.000 0.527 83 N N 0.382 119.104 118.700 0.037 0.000 2.453 83 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 83 N C 1.487 177.018 175.510 0.036 0.000 1.041 83 N CA 0.532 53.597 53.050 0.025 0.000 0.900 83 N CB -0.168 38.344 38.487 0.042 0.000 0.961 83 N HN 0.536 nan 8.380 nan 0.000 0.443 84 Q N -0.449 119.384 119.800 0.055 0.000 2.320 84 Q HA 0.194 4.533 4.340 -0.000 0.000 0.201 84 Q C 0.755 176.777 176.000 0.038 0.000 0.910 84 Q CA 0.087 55.917 55.803 0.045 0.000 0.946 84 Q CB 0.317 29.087 28.738 0.053 0.000 1.062 84 Q HN 0.393 nan 8.270 nan 0.000 0.503 85 G N 0.430 109.251 108.800 0.036 0.000 2.136 85 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 85 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 85 G C 0.085 175.012 174.900 0.044 0.000 0.989 85 G CA 0.173 45.289 45.100 0.028 0.000 0.682 85 G HN 0.223 nan 8.290 nan 0.000 0.522 86 V N 1.457 121.413 119.914 0.071 0.000 2.461 86 V HA 0.367 4.486 4.120 -0.000 0.000 0.275 86 V C 1.313 177.448 176.094 0.069 0.000 1.047 86 V CA -0.575 61.778 62.300 0.089 0.000 0.955 86 V CB 1.137 33.058 31.823 0.163 0.000 0.988 86 V HN 0.410 nan 8.190 nan 0.000 0.471 87 R N 4.244 124.777 120.500 0.055 0.000 2.537 87 R HA 0.380 4.720 4.340 -0.000 0.000 0.280 87 R C -0.530 175.787 176.300 0.028 0.000 1.058 87 R CA -0.082 56.041 56.100 0.039 0.000 1.057 87 R CB 0.544 30.866 30.300 0.037 0.000 0.973 87 R HN 0.576 nan 8.270 nan 0.000 0.438 88 I N 1.869 122.444 120.570 0.008 0.000 2.359 88 I HA 0.138 4.308 4.170 -0.000 0.000 0.294 88 I C 0.921 177.029 176.117 -0.014 0.000 0.987 88 I CA -0.004 61.285 61.300 -0.018 0.000 1.225 88 I CB 1.914 39.893 38.000 -0.035 0.000 1.366 88 I HN 0.768 nan 8.210 nan 0.000 0.466 89 A N 3.904 126.712 122.820 -0.021 0.000 1.924 89 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 89 A C 0.623 178.193 177.584 -0.024 0.000 1.198 89 A CA 0.849 52.877 52.037 -0.016 0.000 0.657 89 A CB 0.080 19.073 19.000 -0.011 0.000 0.852 89 A HN 0.678 nan 8.150 nan 0.000 0.454 90 D N -0.501 119.877 120.400 -0.037 0.000 2.469 90 D HA 0.342 4.982 4.640 -0.000 0.000 0.251 90 D C -1.357 174.912 176.300 -0.051 0.000 1.173 90 D CA -0.347 53.629 54.000 -0.039 0.000 0.882 90 D CB 1.285 42.062 40.800 -0.039 0.000 1.129 90 D HN 0.061 nan 8.370 nan 0.000 0.549 91 D N 2.057 122.430 120.400 -0.045 0.000 2.395 91 D HA 0.055 4.695 4.640 -0.000 0.000 0.226 91 D C 0.614 176.884 176.300 -0.050 0.000 1.146 91 D CA 0.230 54.200 54.000 -0.051 0.000 0.830 91 D CB 0.504 41.279 40.800 -0.042 0.000 0.958 91 D HN 0.208 nan 8.370 nan 0.000 0.501 92 Q N -0.606 119.166 119.800 -0.047 0.000 2.280 92 Q HA 0.276 4.616 4.340 -0.000 0.000 0.228 92 Q C -0.148 175.824 176.000 -0.048 0.000 0.857 92 Q CA 0.218 55.994 55.803 -0.045 0.000 0.939 92 Q CB 0.782 29.498 28.738 -0.037 0.000 1.114 92 Q HN 0.200 nan 8.270 nan 0.000 0.514 93 N N -0.134 118.536 118.700 -0.051 0.000 2.329 93 N HA 0.317 5.057 4.740 -0.000 0.000 0.282 93 N C -0.956 174.520 175.510 -0.057 0.000 1.198 93 N CA -0.269 52.751 53.050 -0.049 0.000 0.790 93 N CB 2.076 40.538 38.487 -0.040 0.000 1.579 93 N HN -0.185 nan 8.380 nan 0.000 0.475 94 S N 0.646 116.315 115.700 -0.051 0.000 2.614 94 S HA 0.302 4.771 4.470 -0.000 0.000 0.265 94 S C 0.110 174.683 174.600 -0.044 0.000 1.303 94 S CA -0.560 57.609 58.200 -0.052 0.000 1.000 94 S CB 0.721 63.897 63.200 -0.041 0.000 0.935 94 S HN 0.402 nan 8.310 nan 0.000 0.551 95 L N 3.162 124.358 121.223 -0.045 0.000 2.281 95 L HA 0.452 4.792 4.340 -0.000 0.000 0.285 95 L C 0.028 176.889 176.870 -0.017 0.000 1.074 95 L CA 0.277 55.098 54.840 -0.031 0.000 0.817 95 L CB -0.068 41.974 42.059 -0.029 0.000 1.168 95 L HN 0.734 nan 8.230 nan 0.000 0.434 96 R N 4.160 124.653 120.500 -0.012 0.000 2.836 96 R HA 0.869 5.209 4.340 -0.000 0.000 0.269 96 R C -1.160 175.138 176.300 -0.003 0.000 1.010 96 R CA -0.866 55.229 56.100 -0.007 0.000 0.930 96 R CB 1.151 31.445 30.300 -0.010 0.000 1.218 96 R HN 0.570 nan 8.270 nan 0.000 0.473 97 A N 1.197 124.016 122.820 -0.000 0.000 2.666 97 A HA 0.596 4.915 4.320 -0.000 0.000 0.312 97 A C 0.545 178.129 177.584 -0.001 0.000 1.471 97 A CA 0.257 52.295 52.037 0.001 0.000 1.134 97 A CB -0.862 18.140 19.000 0.004 0.000 1.129 97 A HN 1.228 nan 8.150 nan 0.000 0.539 98 G N 1.098 109.897 108.800 -0.002 0.000 2.692 98 G HA2 0.048 4.008 3.960 -0.000 0.000 0.686 98 G HA3 0.048 4.008 3.960 -0.000 0.000 0.686 98 G C 0.640 175.537 174.900 -0.006 0.000 1.243 98 G CA 0.094 45.192 45.100 -0.003 0.000 0.782 98 G HN 1.814 nan 8.290 nan 0.000 0.625 99 S N -0.216 115.479 115.700 -0.007 0.000 2.547 99 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 99 S C 1.486 176.080 174.600 -0.010 0.000 0.980 99 S CA 1.374 59.569 58.200 -0.010 0.000 0.941 99 S CB 0.064 63.258 63.200 -0.010 0.000 0.763 99 S HN 0.757 nan 8.310 nan 0.000 0.532 100 R N 0.624 121.119 120.500 -0.008 0.000 2.629 100 R HA 0.349 4.689 4.340 -0.000 0.000 0.386 100 R C 0.839 177.135 176.300 -0.007 0.000 1.071 100 R CA 0.032 56.127 56.100 -0.008 0.000 1.104 100 R CB 0.920 31.216 30.300 -0.007 0.000 1.370 100 R HN 0.418 nan 8.270 nan 0.000 0.574 101 G N 1.586 110.382 108.800 -0.006 0.000 2.642 101 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 101 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 101 G C -2.447 172.451 174.900 -0.005 0.000 1.345 101 G CA -1.176 43.922 45.100 -0.004 0.000 1.043 101 G HN -0.121 nan 8.290 nan 0.000 0.528 102 P HA 0.226 nan 4.420 nan 0.000 0.275 102 P C -0.144 177.155 177.300 -0.002 0.000 1.227 102 P CA -0.051 63.048 63.100 -0.001 0.000 0.781 102 P CB 0.788 32.489 31.700 0.002 0.000 0.906 103 T N 3.104 117.656 114.554 -0.003 0.000 2.901 103 T HA 0.240 4.590 4.350 -0.000 0.000 0.301 103 T C 0.544 175.246 174.700 0.004 0.000 1.012 103 T CA -0.098 62.000 62.100 -0.004 0.000 1.135 103 T CB 0.001 68.864 68.868 -0.007 0.000 0.936 103 T HN 0.180 nan 8.240 nan 0.000 0.539 104 L N 3.428 124.655 121.223 0.006 0.000 2.357 104 L HA 0.323 4.663 4.340 -0.000 0.000 0.273 104 L C 1.417 178.302 176.870 0.025 0.000 1.080 104 L CA -0.779 54.071 54.840 0.017 0.000 0.803 104 L CB 0.756 42.828 42.059 0.020 0.000 1.174 104 L HN 0.509 nan 8.230 nan 0.000 0.443 105 L N 1.903 123.145 121.223 0.032 0.000 2.275 105 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 105 L C 2.271 179.180 176.870 0.065 0.000 1.119 105 L CA 1.531 56.397 54.840 0.043 0.000 0.790 105 L CB -0.576 41.506 42.059 0.038 0.000 0.919 105 L HN 0.784 nan 8.230 nan 0.000 0.443 106 E N -1.620 118.622 120.200 0.071 0.000 2.516 106 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 106 E C 0.185 176.883 176.600 0.164 0.000 1.069 106 E CA 0.190 56.659 56.400 0.115 0.000 0.876 106 E CB -0.469 29.292 29.700 0.101 0.000 0.843 106 E HN 0.348 nan 8.360 nan 0.000 0.530 107 D N 1.223 121.673 120.400 0.083 0.000 2.455 107 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 107 D C 0.461 176.769 176.300 0.015 0.000 1.224 107 D CA -0.469 53.533 54.000 0.003 0.000 0.999 107 D CB -0.176 40.600 40.800 -0.039 0.000 1.072 107 D HN 0.307 nan 8.370 nan 0.000 0.514 108 F N 1.929 121.888 119.950 0.014 0.000 2.407 108 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 108 F C 1.611 177.424 175.800 0.021 0.000 1.097 108 F CA 0.179 58.190 58.000 0.019 0.000 1.422 108 F CB -0.583 38.428 39.000 0.018 0.000 1.067 108 F HN 0.177 nan 8.300 nan 0.000 0.539 109 I N 0.401 120.574 120.570 -0.660 0.000 2.233 109 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 109 I C 2.482 178.497 176.117 -0.170 0.000 1.093 109 I CA 1.064 62.105 61.300 -0.431 0.000 1.380 109 I CB -0.513 37.167 38.000 -0.533 0.000 1.067 109 I HN 0.281 nan 8.210 nan 0.000 0.413 110 L N 1.123 122.256 121.223 -0.150 0.000 1.989 110 L HA -0.197 4.142 4.340 -0.000 0.000 0.211 110 L C 2.653 179.515 176.870 -0.013 0.000 1.071 110 L CA 1.869 56.666 54.840 -0.071 0.000 0.749 110 L CB -0.552 41.471 42.059 -0.060 0.000 0.890 110 L HN 0.046 nan 8.230 nan 0.000 0.431 111 R N -0.594 119.917 120.500 0.018 0.000 2.096 111 R HA -0.178 4.161 4.340 -0.000 0.000 0.235 111 R C 2.323 178.679 176.300 0.093 0.000 1.127 111 R CA 1.554 57.693 56.100 0.065 0.000 0.968 111 R CB -0.404 29.947 30.300 0.086 0.000 0.861 111 R HN 0.584 nan 8.270 nan 0.000 0.440 112 E N 1.158 121.419 120.200 0.100 0.000 2.051 112 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 112 E C 1.952 178.629 176.600 0.128 0.000 0.991 112 E CA 1.247 57.723 56.400 0.127 0.000 0.799 112 E CB 0.103 29.882 29.700 0.132 0.000 0.748 112 E HN 0.152 nan 8.360 nan 0.000 0.449 113 K N 0.310 120.756 120.400 0.077 0.000 2.026 113 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 113 K C 2.114 178.788 176.600 0.124 0.000 1.048 113 K CA 1.446 57.778 56.287 0.074 0.000 0.929 113 K CB -0.044 32.459 32.500 0.005 0.000 0.713 113 K HN 0.155 nan 8.250 nan 0.000 0.439 114 I N 1.232 121.856 120.570 0.091 0.000 2.439 114 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 114 I C 2.131 178.360 176.117 0.187 0.000 1.139 114 I CA 1.230 62.604 61.300 0.124 0.000 1.438 114 I CB -1.475 36.560 38.000 0.057 0.000 1.085 114 I HN 0.224 nan 8.210 nan 0.000 0.427 115 T N -0.146 114.511 114.554 0.173 0.000 2.684 115 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 115 T C 1.964 176.811 174.700 0.245 0.000 1.036 115 T CA 1.481 63.709 62.100 0.213 0.000 1.148 115 T CB -0.443 68.547 68.868 0.203 0.000 0.863 115 T HN 0.348 nan 8.240 nan 0.000 0.436 116 H N -0.125 119.042 119.070 0.161 0.000 2.321 116 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 116 H C 2.211 177.600 175.328 0.103 0.000 1.087 116 H CA 1.626 57.752 56.048 0.130 0.000 1.319 116 H CB -0.453 29.365 29.762 0.093 0.000 1.379 116 H HN 0.383 nan 8.280 nan 0.000 0.501 117 F N 2.136 122.156 119.950 0.118 0.000 2.069 117 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 117 F C 2.077 177.828 175.800 -0.081 0.000 1.113 117 F CA 1.906 59.920 58.000 0.023 0.000 1.214 117 F CB -0.424 38.579 39.000 0.005 0.000 0.978 117 F HN 0.079 nan 8.300 nan 0.000 0.474 118 D N -1.102 119.238 120.400 -0.101 0.000 2.221 118 D HA -0.172 4.467 4.640 -0.000 0.000 0.204 118 D C 1.254 177.155 176.300 -0.665 0.000 0.982 118 D CA 1.348 55.112 54.000 -0.394 0.000 0.857 118 D CB -0.419 40.152 40.800 -0.382 0.000 0.934 118 D HN 0.500 nan 8.370 nan 0.000 0.475 119 H N -0.281 118.675 119.070 -0.191 0.000 2.475 119 H HA 0.228 4.784 4.556 -0.000 0.000 0.276 119 H C 0.930 176.097 175.328 -0.268 0.000 1.126 119 H CA -0.078 55.850 56.048 -0.200 0.000 1.023 119 H CB 0.453 30.112 29.762 -0.172 0.000 1.669 119 H HN 0.279 nan 8.280 nan 0.000 0.573 120 E N 0.639 120.676 120.200 -0.272 0.000 2.152 120 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 120 E C 0.546 176.998 176.600 -0.247 0.000 0.983 120 E CA 0.464 56.683 56.400 -0.301 0.000 0.818 120 E CB 0.453 29.953 29.700 -0.333 0.000 0.758 120 E HN 0.167 nan 8.360 nan 0.000 0.467 121 R N 1.414 121.821 120.500 -0.156 0.000 2.441 121 R HA 0.303 4.643 4.340 -0.000 0.000 0.284 121 R C 0.453 176.785 176.300 0.055 0.000 1.070 121 R CA -0.149 55.932 56.100 -0.032 0.000 1.047 121 R CB 0.517 30.787 30.300 -0.049 0.000 1.016 121 R HN 0.182 nan 8.270 nan 0.000 0.477 122 I N -0.837 119.828 120.570 0.159 0.000 2.797 122 I HA 0.557 4.727 4.170 -0.000 0.000 0.307 122 I C -2.189 173.985 176.117 0.096 0.000 1.033 122 I CA -2.971 58.411 61.300 0.136 0.000 1.071 122 I CB 1.669 39.779 38.000 0.184 0.000 1.255 122 I HN 0.240 nan 8.210 nan 0.000 0.445 123 P HA 0.044 nan 4.420 nan 0.000 0.264 123 P C -0.806 176.523 177.300 0.048 0.000 1.183 123 P CA 0.037 63.162 63.100 0.042 0.000 0.763 123 P CB 0.390 32.105 31.700 0.024 0.000 0.807 124 E N 2.744 122.974 120.200 0.050 0.000 2.369 124 E HA 0.220 4.570 4.350 -0.000 0.000 0.255 124 E C -0.432 176.196 176.600 0.046 0.000 1.172 124 E CA -0.884 55.552 56.400 0.060 0.000 0.932 124 E CB 0.649 30.389 29.700 0.066 0.000 1.040 124 E HN 0.252 nan 8.360 nan 0.000 0.454 125 R N 0.564 121.099 120.500 0.058 0.000 2.679 125 R HA 0.013 4.352 4.340 -0.000 0.000 0.268 125 R C 1.315 177.651 176.300 0.060 0.000 1.044 125 R CA -0.473 55.659 56.100 0.053 0.000 1.105 125 R CB 0.276 30.626 30.300 0.083 0.000 0.989 125 R HN 0.570 nan 8.270 nan 0.000 0.447 126 I N 1.610 122.210 120.570 0.050 0.000 2.208 126 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 126 I C 1.198 177.370 176.117 0.091 0.000 1.097 126 I CA 1.554 62.892 61.300 0.063 0.000 1.363 126 I CB -1.018 37.023 38.000 0.068 0.000 1.051 126 I HN 0.396 nan 8.210 nan 0.000 0.413 127 V N -3.320 116.683 119.914 0.149 0.000 3.040 127 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 127 V C 0.341 176.615 176.094 0.300 0.000 1.115 127 V CA -0.852 61.570 62.300 0.203 0.000 0.998 127 V CB 1.828 33.851 31.823 0.334 0.000 1.042 127 V HN 0.444 nan 8.190 nan 0.000 0.433 128 H N 0.472 119.607 119.070 0.109 0.000 2.862 128 H HA -0.219 4.337 4.556 -0.000 0.000 0.290 128 H C 1.543 176.919 175.328 0.081 0.000 1.211 128 H CA 0.756 56.862 56.048 0.097 0.000 1.140 128 H CB -1.236 28.574 29.762 0.080 0.000 1.341 128 H HN 1.170 nan 8.280 nan 0.000 0.392 129 A N 0.803 123.714 122.820 0.151 0.000 1.972 129 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 129 A C 1.710 179.382 177.584 0.147 0.000 1.169 129 A CA 1.349 53.464 52.037 0.129 0.000 0.635 129 A CB -0.103 18.952 19.000 0.091 0.000 0.810 129 A HN 0.264 nan 8.150 nan 0.000 0.446 130 R N 0.307 120.893 120.500 0.142 0.000 2.196 130 R HA 0.503 4.843 4.340 -0.000 0.000 0.340 130 R C -0.139 176.282 176.300 0.201 0.000 1.043 130 R CA 0.684 56.885 56.100 0.168 0.000 0.883 130 R CB 0.154 30.538 30.300 0.140 0.000 1.078 130 R HN 0.309 nan 8.270 nan 0.000 0.462 131 G N 0.997 109.940 108.800 0.239 0.000 2.698 131 G HA2 0.518 4.478 3.960 -0.000 0.000 0.293 131 G HA3 0.518 4.478 3.960 -0.000 0.000 0.293 131 G C -1.598 173.453 174.900 0.252 0.000 1.437 131 G CA -0.602 44.609 45.100 0.185 0.000 0.852 131 G HN 0.496 nan 8.290 nan 0.000 0.499 132 S N -0.914 114.875 115.700 0.148 0.000 2.538 132 S HA 0.886 5.356 4.470 -0.000 0.000 0.288 132 S C -0.141 174.442 174.600 -0.029 0.000 1.108 132 S CA -0.258 58.074 58.200 0.220 0.000 0.971 132 S CB 1.769 65.213 63.200 0.407 0.000 1.041 132 S HN 1.519 nan 8.310 nan 0.000 0.483 133 A N 1.560 124.328 122.820 -0.087 0.000 2.515 133 A HA 1.029 5.348 4.320 -0.000 0.000 0.296 133 A C -0.899 176.467 177.584 -0.364 0.000 1.094 133 A CA -0.760 51.017 52.037 -0.435 0.000 0.718 133 A CB 1.608 20.193 19.000 -0.691 0.000 1.307 133 A HN 1.321 nan 8.150 nan 0.000 0.408 134 A N 0.426 122.883 122.820 -0.604 0.000 2.606 134 A HA 0.730 5.050 4.320 -0.000 0.000 0.293 134 A C -1.062 176.297 177.584 -0.375 0.000 1.082 134 A CA -0.654 51.180 52.037 -0.338 0.000 0.685 134 A CB 0.752 19.656 19.000 -0.159 0.000 1.284 134 A HN 0.877 nan 8.150 nan 0.000 0.408 135 H N -0.313 118.758 119.070 0.003 0.000 2.505 135 H HA 0.642 5.198 4.556 -0.000 0.000 0.351 135 H C 0.625 175.949 175.328 -0.008 0.000 1.151 135 H CA 1.006 57.121 56.048 0.111 0.000 1.339 135 H CB 1.762 31.593 29.762 0.116 0.000 1.483 135 H HN 1.107 nan 8.280 nan 0.000 0.558 136 G N 0.800 109.694 108.800 0.157 0.000 2.578 136 G HA2 0.374 4.334 3.960 -0.000 0.000 0.302 136 G HA3 0.374 4.334 3.960 -0.000 0.000 0.302 136 G C -2.016 173.017 174.900 0.221 0.000 1.243 136 G CA -0.654 44.500 45.100 0.090 0.000 0.843 136 G HN 0.628 nan 8.290 nan 0.000 0.486 137 Y N -1.730 118.605 120.300 0.059 0.000 2.609 137 Y HA 0.831 5.380 4.550 -0.000 0.000 0.336 137 Y C -1.820 174.218 175.900 0.230 0.000 1.129 137 Y CA -1.916 56.265 58.100 0.134 0.000 1.040 137 Y CB 1.892 40.404 38.460 0.087 0.000 1.310 137 Y HN 0.802 nan 8.280 nan 0.000 0.460 138 F N 2.374 122.483 119.950 0.266 0.000 2.563 138 F HA 0.704 5.231 4.527 -0.000 0.000 0.316 138 F C -1.249 174.748 175.800 0.329 0.000 1.076 138 F CA -0.616 57.538 58.000 0.256 0.000 0.921 138 F CB 2.377 41.653 39.000 0.460 0.000 1.209 138 F HN 0.801 nan 8.300 nan 0.000 0.462 139 Q N 6.641 125.886 119.800 -0.925 0.000 2.284 139 Q HA 0.475 4.815 4.340 -0.000 0.000 0.269 139 Q C -2.989 172.402 176.000 -1.015 0.000 1.026 139 Q CA -2.318 53.113 55.803 -0.620 0.000 0.831 139 Q CB 2.963 31.624 28.738 -0.128 0.000 1.322 139 Q HN 0.338 nan 8.270 nan 0.000 0.419 140 P HA 0.064 nan 4.420 nan 0.000 0.278 140 P C -0.505 176.664 177.300 -0.219 0.000 1.238 140 P CA 0.128 62.994 63.100 -0.390 0.000 0.794 140 P CB 0.500 32.140 31.700 -0.100 0.000 0.955 141 Y N 1.105 121.345 120.300 -0.099 0.000 2.263 141 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 141 Y C 1.527 177.400 175.900 -0.044 0.000 1.130 141 Y CA 0.554 58.618 58.100 -0.061 0.000 1.179 141 Y CB 0.197 38.629 38.460 -0.046 0.000 0.998 141 Y HN 0.352 nan 8.280 nan 0.000 0.532 142 K N -0.879 119.583 120.400 0.104 0.000 2.522 142 K HA 0.402 4.721 4.320 -0.000 0.000 0.275 142 K C -0.926 175.678 176.600 0.007 0.000 1.006 142 K CA -0.960 55.356 56.287 0.049 0.000 0.890 142 K CB 1.624 34.152 32.500 0.048 0.000 1.475 142 K HN -0.234 nan 8.250 nan 0.000 0.441 143 S N 0.956 116.658 115.700 0.002 0.000 2.533 143 S HA 0.162 4.632 4.470 -0.000 0.000 0.282 143 S C 0.385 174.973 174.600 -0.020 0.000 1.304 143 S CA -0.660 57.532 58.200 -0.013 0.000 1.063 143 S CB -0.229 62.967 63.200 -0.007 0.000 0.881 143 S HN 0.553 nan 8.310 nan 0.000 0.493 144 L N 4.916 126.116 121.223 -0.039 0.000 2.848 144 L HA 0.144 4.484 4.340 -0.000 0.000 0.240 144 L C 2.001 178.855 176.870 -0.028 0.000 1.232 144 L CA -0.072 54.752 54.840 -0.027 0.000 1.031 144 L CB -0.211 41.833 42.059 -0.025 0.000 1.338 144 L HN 0.867 nan 8.230 nan 0.000 0.509 145 S N -1.905 113.777 115.700 -0.030 0.000 2.442 145 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 145 S C 1.265 175.849 174.600 -0.027 0.000 1.007 145 S CA 1.006 59.188 58.200 -0.031 0.000 0.965 145 S CB -0.136 63.049 63.200 -0.024 0.000 0.773 145 S HN 0.400 nan 8.310 nan 0.000 0.504 146 D N 2.082 122.471 120.400 -0.018 0.000 2.219 146 D HA 0.011 4.650 4.640 -0.000 0.000 0.205 146 D C 1.835 178.120 176.300 -0.025 0.000 0.970 146 D CA 1.436 55.426 54.000 -0.017 0.000 0.851 146 D CB -0.181 40.614 40.800 -0.009 0.000 0.943 146 D HN 0.800 nan 8.370 nan 0.000 0.488 147 I N -3.926 116.630 120.570 -0.022 0.000 4.187 147 I HA 0.217 4.387 4.170 -0.000 0.000 0.326 147 I C 0.426 176.508 176.117 -0.059 0.000 1.302 147 I CA 0.025 61.305 61.300 -0.033 0.000 1.196 147 I CB 1.126 39.127 38.000 0.001 0.000 1.095 147 I HN -0.250 nan 8.210 nan 0.000 0.411 148 T N 1.650 116.171 114.554 -0.056 0.000 3.041 148 T HA 0.318 4.668 4.350 -0.000 0.000 0.321 148 T C -0.077 174.573 174.700 -0.083 0.000 1.184 148 T CA -0.724 61.325 62.100 -0.085 0.000 1.050 148 T CB 1.737 70.548 68.868 -0.094 0.000 1.159 148 T HN 0.426 nan 8.240 nan 0.000 0.469 149 K N 2.567 122.917 120.400 -0.083 0.000 2.437 149 K HA 0.559 4.879 4.320 -0.000 0.000 0.198 149 K C 0.683 177.248 176.600 -0.058 0.000 1.024 149 K CA -0.363 55.887 56.287 -0.062 0.000 1.148 149 K CB 0.232 32.702 32.500 -0.050 0.000 0.860 149 K HN 0.473 nan 8.250 nan 0.000 0.515 150 A N 2.074 124.839 122.820 -0.093 0.000 2.484 150 A HA -0.026 4.294 4.320 -0.000 0.000 0.268 150 A C 0.538 178.078 177.584 -0.074 0.000 1.114 150 A CA -0.098 51.891 52.037 -0.080 0.000 0.780 150 A CB 0.062 18.961 19.000 -0.168 0.000 1.061 150 A HN 0.441 nan 8.150 nan 0.000 0.505 151 D N 2.389 122.817 120.400 0.047 0.000 2.133 151 D HA -0.264 4.376 4.640 -0.000 0.000 0.195 151 D C 1.369 177.734 176.300 0.109 0.000 0.997 151 D CA 2.436 56.482 54.000 0.076 0.000 0.840 151 D CB -0.250 40.620 40.800 0.116 0.000 0.947 151 D HN 0.755 nan 8.370 nan 0.000 0.452 152 F N -0.680 119.294 119.950 0.039 0.000 2.546 152 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 152 F C 1.114 177.002 175.800 0.146 0.000 1.120 152 F CA 0.470 58.533 58.000 0.104 0.000 1.456 152 F CB -0.243 38.814 39.000 0.094 0.000 1.088 152 F HN -0.042 nan 8.300 nan 0.000 0.572 153 L N 0.783 121.698 121.223 -0.513 0.000 2.857 153 L HA 0.197 4.536 4.340 -0.000 0.000 0.249 153 L C 1.826 178.605 176.870 -0.153 0.000 1.172 153 L CA 0.346 54.964 54.840 -0.370 0.000 0.980 153 L CB -0.077 41.652 42.059 -0.550 0.000 1.299 153 L HN 0.317 nan 8.230 nan 0.000 0.535 154 S N -2.394 113.258 115.700 -0.080 0.000 2.558 154 S HA 0.053 4.523 4.470 -0.000 0.000 0.217 154 S C 0.328 174.923 174.600 -0.008 0.000 0.975 154 S CA -0.143 58.035 58.200 -0.037 0.000 0.912 154 S CB 0.108 63.299 63.200 -0.014 0.000 0.776 154 S HN 0.358 nan 8.310 nan 0.000 0.526 155 D N 0.558 120.962 120.400 0.006 0.000 2.931 155 D HA 0.286 4.926 4.640 -0.000 0.000 0.215 155 D C -2.526 173.788 176.300 0.023 0.000 1.297 155 D CA -1.679 52.333 54.000 0.019 0.000 0.892 155 D CB 2.054 42.872 40.800 0.031 0.000 1.642 155 D HN -0.167 nan 8.370 nan 0.000 0.560 156 P HA -0.100 nan 4.420 nan 0.000 0.219 156 P C 0.602 177.919 177.300 0.027 0.000 1.146 156 P CA 0.767 63.879 63.100 0.021 0.000 0.808 156 P CB 0.475 32.197 31.700 0.035 0.000 0.779 157 N N -0.377 118.343 118.700 0.033 0.000 2.422 157 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 157 N C 0.769 176.310 175.510 0.051 0.000 1.080 157 N CA 0.403 53.475 53.050 0.037 0.000 0.893 157 N CB -0.117 38.388 38.487 0.031 0.000 0.973 157 N HN 0.273 nan 8.380 nan 0.000 0.456 158 K N 1.554 121.995 120.400 0.068 0.000 2.316 158 K HA 0.153 4.473 4.320 -0.000 0.000 0.289 158 K C -0.433 176.256 176.600 0.149 0.000 1.070 158 K CA -0.354 55.997 56.287 0.106 0.000 0.928 158 K CB 0.314 32.889 32.500 0.125 0.000 1.039 158 K HN 0.014 nan 8.250 nan 0.000 0.480 159 I N 1.833 122.494 120.570 0.151 0.000 2.377 159 I HA 0.312 4.482 4.170 -0.000 0.000 0.293 159 I C -0.929 175.353 176.117 0.275 0.000 0.987 159 I CA 0.220 61.644 61.300 0.206 0.000 1.185 159 I CB 2.168 40.243 38.000 0.125 0.000 1.341 159 I HN 0.366 nan 8.210 nan 0.000 0.455 160 T N 8.259 123.063 114.554 0.417 0.000 2.791 160 T HA 0.501 4.851 4.350 -0.000 0.000 0.288 160 T C -2.585 172.372 174.700 0.429 0.000 0.999 160 T CA -1.077 61.289 62.100 0.445 0.000 0.952 160 T CB 1.226 70.465 68.868 0.620 0.000 0.938 160 T HN 0.465 nan 8.240 nan 0.000 0.444 161 P HA 0.254 nan 4.420 nan 0.000 0.269 161 P C -0.643 176.892 177.300 0.391 0.000 1.209 161 P CA -0.394 62.894 63.100 0.313 0.000 0.776 161 P CB 0.526 32.329 31.700 0.172 0.000 0.876 162 V N -0.401 119.690 119.914 0.296 0.000 3.078 162 V HA 0.745 4.865 4.120 -0.000 0.000 0.311 162 V C -1.465 174.781 176.094 0.253 0.000 1.138 162 V CA -0.947 61.432 62.300 0.132 0.000 1.007 162 V CB 2.310 33.989 31.823 -0.240 0.000 1.045 162 V HN 0.329 nan 8.190 nan 0.000 0.432 163 F N 2.157 122.076 119.950 -0.051 0.000 2.579 163 F HA 0.832 5.359 4.527 -0.000 0.000 0.325 163 F C -0.955 174.745 175.800 -0.167 0.000 1.162 163 F CA -0.690 57.228 58.000 -0.136 0.000 0.946 163 F CB 1.878 40.822 39.000 -0.093 0.000 1.211 163 F HN 0.534 nan 8.300 nan 0.000 0.447 164 V N 6.656 126.122 119.914 -0.746 0.000 2.495 164 V HA 0.572 4.691 4.120 -0.000 0.000 0.298 164 V C -0.591 174.834 176.094 -1.114 0.000 1.031 164 V CA -0.821 60.961 62.300 -0.864 0.000 0.871 164 V CB 1.960 33.187 31.823 -0.993 0.000 0.988 164 V HN 0.722 nan 8.190 nan 0.000 0.432 165 R N 3.504 123.336 120.500 -1.112 0.000 2.437 165 R HA 0.625 4.965 4.340 -0.000 0.000 0.310 165 R C -1.581 174.091 176.300 -1.048 0.000 0.955 165 R CA -0.424 55.112 56.100 -0.940 0.000 0.851 165 R CB 1.143 31.057 30.300 -0.643 0.000 1.161 165 R HN 0.552 nan 8.270 nan 0.000 0.446 166 F N 1.862 121.394 119.950 -0.695 0.000 2.432 166 F HA 0.535 5.062 4.527 -0.000 0.000 0.329 166 F C 0.547 176.003 175.800 -0.572 0.000 1.076 166 F CA -0.188 57.295 58.000 -0.862 0.000 1.018 166 F CB 2.111 40.090 39.000 -1.701 0.000 1.201 166 F HN 0.629 nan 8.300 nan 0.000 0.489 167 S N -1.085 114.551 115.700 -0.106 0.000 2.643 167 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 167 S C -0.637 174.105 174.600 0.236 0.000 1.166 167 S CA -0.796 57.476 58.200 0.121 0.000 0.815 167 S CB 1.364 64.677 63.200 0.189 0.000 1.139 167 S HN 0.721 nan 8.310 nan 0.000 0.472 168 T N -1.720 112.957 114.554 0.206 0.000 2.902 168 T HA 0.732 5.082 4.350 -0.000 0.000 0.287 168 T C 0.754 175.413 174.700 -0.069 0.000 1.048 168 T CA -0.095 62.088 62.100 0.138 0.000 0.941 168 T CB 0.459 69.412 68.868 0.142 0.000 1.432 168 T HN 0.665 nan 8.240 nan 0.000 0.586 169 V N -0.204 119.630 119.914 -0.132 0.000 2.948 169 V HA 0.138 4.257 4.120 -0.000 0.000 0.234 169 V C 2.726 178.739 176.094 -0.134 0.000 1.205 169 V CA 0.303 62.397 62.300 -0.344 0.000 1.234 169 V CB -0.323 31.386 31.823 -0.190 0.000 1.020 169 V HN 0.863 nan 8.190 nan 0.000 0.491 170 Q N 1.089 120.848 119.800 -0.070 0.000 2.062 170 Q HA 0.065 4.405 4.340 -0.000 0.000 0.196 170 Q C 1.326 177.302 176.000 -0.040 0.000 0.967 170 Q CA 1.364 57.128 55.803 -0.064 0.000 0.832 170 Q CB -0.252 28.434 28.738 -0.087 0.000 0.899 170 Q HN 0.592 nan 8.270 nan 0.000 0.442 171 G N -0.117 108.671 108.800 -0.020 0.000 2.636 171 G HA2 0.343 4.303 3.960 -0.000 0.000 0.246 171 G HA3 0.343 4.303 3.960 -0.000 0.000 0.246 171 G C 0.142 175.047 174.900 0.008 0.000 1.216 171 G CA 0.069 45.163 45.100 -0.011 0.000 0.854 171 G HN 0.347 nan 8.290 nan 0.000 0.572 172 G N -1.276 107.525 108.800 0.001 0.000 2.651 172 G HA2 0.484 4.444 3.960 -0.000 0.000 0.260 172 G HA3 0.484 4.444 3.960 -0.000 0.000 0.260 172 G C 1.314 176.240 174.900 0.043 0.000 1.216 172 G CA 0.440 45.551 45.100 0.017 0.000 0.913 172 G HN 1.088 nan 8.290 nan 0.000 0.535 173 A N -0.486 122.371 122.820 0.061 0.000 2.076 173 A HA 0.095 4.414 4.320 -0.000 0.000 0.220 173 A C 2.250 179.867 177.584 0.055 0.000 1.160 173 A CA 2.011 54.102 52.037 0.089 0.000 0.653 173 A CB -0.400 18.671 19.000 0.118 0.000 0.801 173 A HN 1.107 nan 8.150 nan 0.000 0.455 174 G N -0.255 108.559 108.800 0.024 0.000 3.284 174 G HA2 0.318 4.278 3.960 -0.000 0.000 0.236 174 G HA3 0.318 4.278 3.960 -0.000 0.000 0.236 174 G C 0.713 175.611 174.900 -0.004 0.000 1.158 174 G CA 0.653 45.753 45.100 -0.001 0.000 0.774 174 G HN 0.669 nan 8.290 nan 0.000 0.545 175 S N -0.191 115.514 115.700 0.009 0.000 2.655 175 S HA 0.719 5.189 4.470 -0.000 0.000 0.265 175 S C 0.495 175.104 174.600 0.014 0.000 1.240 175 S CA -0.113 58.088 58.200 0.003 0.000 0.986 175 S CB 1.592 64.794 63.200 0.004 0.000 0.985 175 S HN 0.552 nan 8.310 nan 0.000 0.562 176 A N 0.523 123.345 122.820 0.004 0.000 2.371 176 A HA 0.343 4.663 4.320 -0.000 0.000 0.257 176 A C 0.716 178.313 177.584 0.021 0.000 1.089 176 A CA -0.499 51.537 52.037 -0.001 0.000 0.794 176 A CB -0.204 18.778 19.000 -0.030 0.000 1.029 176 A HN 0.880 nan 8.150 nan 0.000 0.488 177 D N 0.697 121.099 120.400 0.004 0.000 2.091 177 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 177 D C 1.602 177.850 176.300 -0.086 0.000 0.980 177 D CA 2.289 56.292 54.000 0.006 0.000 0.831 177 D CB -0.373 40.391 40.800 -0.060 0.000 0.987 177 D HN 0.691 nan 8.370 nan 0.000 0.460 178 T N 0.163 114.589 114.554 -0.214 0.000 3.624 178 T HA 0.296 4.646 4.350 -0.000 0.000 0.231 178 T C 0.795 175.467 174.700 -0.048 0.000 0.865 178 T CA -0.589 61.385 62.100 -0.210 0.000 0.926 178 T CB -1.072 67.600 68.868 -0.326 0.000 1.189 178 T HN -0.070 nan 8.240 nan 0.000 0.640 179 V N -1.235 118.708 119.914 0.048 0.000 3.385 179 V HA 0.497 4.617 4.120 -0.000 0.000 0.301 179 V C 0.633 176.862 176.094 0.225 0.000 1.082 179 V CA -1.501 60.879 62.300 0.133 0.000 1.085 179 V CB 0.625 32.517 31.823 0.116 0.000 1.152 179 V HN 0.596 nan 8.190 nan 0.000 0.465 180 R N 1.204 121.887 120.500 0.305 0.000 2.198 180 R HA 0.583 4.922 4.340 -0.000 0.000 0.339 180 R C -0.406 175.979 176.300 0.142 0.000 1.020 180 R CA -0.134 56.115 56.100 0.248 0.000 0.864 180 R CB 0.403 30.803 30.300 0.166 0.000 1.105 180 R HN 1.022 nan 8.270 nan 0.000 0.463 181 E N 3.694 123.990 120.200 0.160 0.000 2.409 181 E HA 0.174 4.524 4.350 -0.000 0.000 0.280 181 E C -0.585 176.135 176.600 0.200 0.000 1.079 181 E CA -0.906 55.582 56.400 0.147 0.000 0.840 181 E CB 1.313 31.085 29.700 0.121 0.000 1.309 181 E HN 0.385 nan 8.360 nan 0.000 0.447 182 I N 1.576 122.284 120.570 0.230 0.000 3.112 182 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 182 I C 0.506 176.771 176.117 0.245 0.000 1.227 182 I CA 0.385 61.829 61.300 0.239 0.000 1.369 182 I CB -0.231 37.940 38.000 0.286 0.000 1.376 182 I HN 0.353 nan 8.210 nan 0.000 0.608 183 R N 2.143 122.808 120.500 0.274 0.000 2.740 183 R HA 0.555 4.895 4.340 -0.000 0.000 0.282 183 R C -0.186 176.312 176.300 0.331 0.000 0.969 183 R CA -0.770 55.508 56.100 0.298 0.000 0.918 183 R CB 1.632 32.131 30.300 0.332 0.000 1.175 183 R HN 0.806 nan 8.270 nan 0.000 0.464 184 G N 0.788 109.800 108.800 0.353 0.000 2.448 184 G HA2 0.490 4.450 3.960 -0.000 0.000 0.285 184 G HA3 0.490 4.450 3.960 -0.000 0.000 0.285 184 G C -1.263 173.736 174.900 0.165 0.000 1.176 184 G CA -0.030 45.261 45.100 0.319 0.000 0.852 184 G HN 0.344 nan 8.290 nan 0.000 0.530 185 F N 1.723 121.603 119.950 -0.118 0.000 3.090 185 F HA 0.619 5.146 4.527 -0.000 0.000 0.381 185 F C -0.225 175.316 175.800 -0.432 0.000 1.231 185 F CA -1.741 56.098 58.000 -0.268 0.000 1.177 185 F CB 0.969 39.916 39.000 -0.089 0.000 1.598 185 F HN 0.673 nan 8.300 nan 0.000 0.589 186 A N 3.270 125.857 122.820 -0.388 0.000 2.303 186 A HA 0.797 5.116 4.320 -0.000 0.000 0.320 186 A C -0.568 176.608 177.584 -0.679 0.000 1.192 186 A CA -0.425 51.228 52.037 -0.641 0.000 0.821 186 A CB 0.833 19.092 19.000 -1.235 0.000 1.188 186 A HN 0.526 nan 8.150 nan 0.000 0.492 187 T N 2.277 116.584 114.554 -0.411 0.000 2.812 187 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 187 T C -0.376 174.134 174.700 -0.316 0.000 0.990 187 T CA -0.490 61.362 62.100 -0.412 0.000 0.960 187 T CB 1.106 69.676 68.868 -0.497 0.000 0.948 187 T HN 0.637 nan 8.240 nan 0.000 0.438 188 K N 3.542 123.822 120.400 -0.199 0.000 2.281 188 K HA 0.443 4.763 4.320 -0.000 0.000 0.272 188 K C -1.295 174.970 176.600 -0.559 0.000 1.048 188 K CA -0.597 55.492 56.287 -0.331 0.000 0.898 188 K CB 0.321 32.575 32.500 -0.410 0.000 1.128 188 K HN 0.397 nan 8.250 nan 0.000 0.460 189 F N 4.332 123.995 119.950 -0.477 0.000 2.391 189 F HA 0.231 4.757 4.527 -0.000 0.000 0.359 189 F C -0.393 175.201 175.800 -0.342 0.000 1.122 189 F CA -0.598 57.182 58.000 -0.366 0.000 1.120 189 F CB 0.637 39.334 39.000 -0.504 0.000 1.142 189 F HN 0.446 nan 8.300 nan 0.000 0.483 190 Y N 1.944 122.298 120.300 0.090 0.000 2.632 190 Y HA 0.205 4.755 4.550 -0.000 0.000 0.336 190 Y C 1.075 177.031 175.900 0.093 0.000 1.237 190 Y CA -0.815 57.321 58.100 0.060 0.000 1.595 190 Y CB -0.337 38.149 38.460 0.042 0.000 1.508 190 Y HN 0.537 nan 8.280 nan 0.000 0.480 191 T N -2.529 112.119 114.554 0.158 0.000 2.847 191 T HA 0.196 4.546 4.350 -0.000 0.000 0.279 191 T C 0.962 175.755 174.700 0.155 0.000 0.984 191 T CA -0.749 61.451 62.100 0.167 0.000 0.988 191 T CB 1.125 70.070 68.868 0.128 0.000 1.040 191 T HN 0.626 nan 8.240 nan 0.000 0.528 192 E N -0.088 120.208 120.200 0.159 0.000 2.418 192 E HA -0.019 4.331 4.350 -0.000 0.000 0.197 192 E C 0.908 177.573 176.600 0.109 0.000 1.026 192 E CA 0.616 57.092 56.400 0.126 0.000 0.862 192 E CB 0.126 29.896 29.700 0.117 0.000 0.799 192 E HN 0.719 nan 8.360 nan 0.000 0.518 193 E N 0.319 120.586 120.200 0.112 0.000 2.685 193 E HA 0.267 4.617 4.350 -0.000 0.000 0.208 193 E C 0.003 176.650 176.600 0.078 0.000 0.996 193 E CA -0.279 56.178 56.400 0.096 0.000 1.054 193 E CB 1.238 30.999 29.700 0.101 0.000 1.075 193 E HN 0.193 nan 8.360 nan 0.000 0.460 194 G N 1.134 109.974 108.800 0.067 0.000 2.459 194 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.685 194 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.685 194 G C -0.829 174.077 174.900 0.010 0.000 1.303 194 G CA -1.120 43.997 45.100 0.028 0.000 0.907 194 G HN 0.034 nan 8.290 nan 0.000 0.632 195 I N 0.749 121.289 120.570 -0.051 0.000 2.556 195 I HA 0.379 4.549 4.170 -0.000 0.000 0.284 195 I C 0.168 176.295 176.117 0.016 0.000 1.114 195 I CA -0.057 61.188 61.300 -0.091 0.000 1.418 195 I CB 0.731 38.604 38.000 -0.210 0.000 1.394 195 I HN 0.477 nan 8.210 nan 0.000 0.552 196 F N 6.803 126.652 119.950 -0.170 0.000 2.403 196 F HA 0.439 4.966 4.527 -0.000 0.000 0.355 196 F C -0.525 175.240 175.800 -0.058 0.000 1.119 196 F CA -1.403 56.495 58.000 -0.171 0.000 1.007 196 F CB 0.645 39.386 39.000 -0.431 0.000 1.194 196 F HN 0.345 nan 8.300 nan 0.000 0.443 197 D N 6.793 127.071 120.400 -0.203 0.000 2.274 197 D HA 0.242 4.882 4.640 -0.000 0.000 0.239 197 D C -0.549 175.327 176.300 -0.705 0.000 1.104 197 D CA 0.087 53.870 54.000 -0.361 0.000 0.840 197 D CB 2.253 43.019 40.800 -0.056 0.000 1.100 197 D HN 0.637 nan 8.370 nan 0.000 0.477 198 L N 3.301 124.072 121.223 -0.753 0.000 2.297 198 L HA 0.267 4.606 4.340 -0.000 0.000 0.277 198 L C -0.963 175.718 176.870 -0.316 0.000 1.040 198 L CA -0.633 53.832 54.840 -0.626 0.000 0.867 198 L CB 0.689 42.377 42.059 -0.618 0.000 1.244 198 L HN 0.056 nan 8.230 nan 0.000 0.433 199 V N 5.234 125.001 119.914 -0.245 0.000 2.247 199 V HA 0.500 4.620 4.120 -0.000 0.000 0.262 199 V C 0.805 176.825 176.094 -0.123 0.000 1.096 199 V CA -0.300 61.866 62.300 -0.223 0.000 0.895 199 V CB 0.457 32.109 31.823 -0.284 0.000 1.141 199 V HN 0.803 nan 8.190 nan 0.000 0.478 200 G N 3.141 111.886 108.800 -0.091 0.000 3.016 200 G HA2 0.667 4.627 3.960 -0.000 0.000 0.270 200 G HA3 0.667 4.627 3.960 -0.000 0.000 0.270 200 G C -0.864 174.076 174.900 0.066 0.000 1.352 200 G CA -0.590 44.504 45.100 -0.010 0.000 1.060 200 G HN 0.474 nan 8.290 nan 0.000 0.538 201 N N -1.097 117.685 118.700 0.137 0.000 3.038 201 N HA 0.245 4.985 4.740 -0.000 0.000 0.307 201 N C 0.250 175.943 175.510 0.305 0.000 1.441 201 N CA -0.720 52.470 53.050 0.232 0.000 0.772 201 N CB 1.342 39.958 38.487 0.215 0.000 1.651 201 N HN 0.520 nan 8.380 nan 0.000 0.593 202 N N -1.243 117.654 118.700 0.329 0.000 2.268 202 N HA 0.008 4.748 4.740 -0.000 0.000 0.204 202 N C -0.652 175.119 175.510 0.435 0.000 1.124 202 N CA -0.086 53.207 53.050 0.406 0.000 0.838 202 N CB -0.161 38.544 38.487 0.363 0.000 0.994 202 N HN 0.533 nan 8.380 nan 0.000 0.489 203 T N -3.671 110.971 114.554 0.146 0.000 2.909 203 T HA 0.432 4.782 4.350 -0.000 0.000 0.299 203 T C -2.620 171.503 174.700 -0.962 0.000 1.073 203 T CA -1.525 60.231 62.100 -0.572 0.000 0.999 203 T CB 2.966 71.393 68.868 -0.735 0.000 1.098 203 T HN -0.267 nan 8.240 nan 0.000 0.477 204 P HA 0.153 nan 4.420 nan 0.000 0.241 204 P C 0.591 177.379 177.300 -0.853 0.000 1.191 204 P CA 0.214 62.434 63.100 -1.466 0.000 0.771 204 P CB -0.046 30.754 31.700 -1.501 0.000 0.929 205 I N -4.591 115.441 120.570 -0.896 0.000 3.206 205 I HA 0.540 4.709 4.170 -0.000 0.000 0.313 205 I C -0.988 174.858 176.117 -0.452 0.000 1.103 205 I CA -1.943 58.989 61.300 -0.613 0.000 0.985 205 I CB 1.301 38.902 38.000 -0.664 0.000 1.240 205 I HN -0.245 nan 8.210 nan 0.000 0.464 206 F N 0.420 120.095 119.950 -0.458 0.000 2.572 206 F HA 0.489 5.016 4.527 -0.000 0.000 0.342 206 F C 0.442 176.013 175.800 -0.382 0.000 1.064 206 F CA -0.726 57.048 58.000 -0.377 0.000 1.008 206 F CB 1.820 40.716 39.000 -0.174 0.000 1.303 206 F HN 0.381 nan 8.300 nan 0.000 0.492 207 F N 1.910 121.107 119.950 -1.255 0.000 2.293 207 F HA 0.067 4.594 4.527 -0.000 0.000 0.297 207 F C 0.647 176.171 175.800 -0.460 0.000 1.089 207 F CA 0.658 58.124 58.000 -0.890 0.000 1.377 207 F CB -0.089 38.015 39.000 -1.493 0.000 1.051 207 F HN 0.120 nan 8.300 nan 0.000 0.511 208 I N -2.957 117.599 120.570 -0.024 0.000 2.846 208 I HA 0.369 4.539 4.170 -0.000 0.000 0.307 208 I C 0.426 176.688 176.117 0.242 0.000 1.053 208 I CA -0.809 60.583 61.300 0.153 0.000 1.050 208 I CB 1.833 39.971 38.000 0.231 0.000 1.239 208 I HN -0.117 nan 8.210 nan 0.000 0.439 209 Q N 0.529 120.469 119.800 0.234 0.000 2.297 209 Q HA 0.131 4.471 4.340 -0.000 0.000 0.203 209 Q C -0.254 175.910 176.000 0.273 0.000 0.931 209 Q CA 0.631 56.613 55.803 0.298 0.000 0.885 209 Q CB 0.424 29.407 28.738 0.409 0.000 0.991 209 Q HN 0.668 nan 8.270 nan 0.000 0.498 210 D N -1.115 119.415 120.400 0.217 0.000 2.498 210 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 210 D C -0.027 176.387 176.300 0.191 0.000 1.070 210 D CA -0.253 53.844 54.000 0.163 0.000 0.842 210 D CB 1.860 42.729 40.800 0.115 0.000 1.361 210 D HN 0.018 nan 8.370 nan 0.000 0.484 211 A N 3.144 126.047 122.820 0.139 0.000 2.076 211 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 211 A C 1.772 179.466 177.584 0.184 0.000 1.160 211 A CA 1.632 53.748 52.037 0.132 0.000 0.653 211 A CB -0.760 18.265 19.000 0.040 0.000 0.801 211 A HN 0.810 nan 8.150 nan 0.000 0.455 212 H N -0.022 119.100 119.070 0.087 0.000 2.456 212 H HA -0.002 4.554 4.556 -0.000 0.000 0.296 212 H C 1.643 177.044 175.328 0.122 0.000 1.079 212 H CA 1.820 57.914 56.048 0.076 0.000 1.322 212 H CB 0.077 29.860 29.762 0.036 0.000 1.388 212 H HN 0.387 nan 8.280 nan 0.000 0.538 213 K N -0.559 119.977 120.400 0.226 0.000 2.444 213 K HA -0.052 4.268 4.320 -0.000 0.000 0.193 213 K C 1.447 178.182 176.600 0.225 0.000 1.024 213 K CA 0.057 56.475 56.287 0.219 0.000 1.077 213 K CB 0.022 32.701 32.500 0.298 0.000 0.833 213 K HN 0.288 nan 8.250 nan 0.000 0.517 214 F N 3.020 123.023 119.950 0.088 0.000 2.063 214 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 214 F C -0.978 174.835 175.800 0.023 0.000 1.109 214 F CA 1.689 59.758 58.000 0.115 0.000 1.212 214 F CB -0.583 38.474 39.000 0.095 0.000 0.973 214 F HN 0.037 nan 8.300 nan 0.000 0.480 215 P HA -0.146 nan 4.420 nan 0.000 0.216 215 P C 1.051 178.043 177.300 -0.513 0.000 1.150 215 P CA 1.824 64.682 63.100 -0.403 0.000 0.837 215 P CB -0.100 31.379 31.700 -0.368 0.000 0.786 216 D N -1.151 119.096 120.400 -0.256 0.000 2.078 216 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 216 D C 1.844 177.890 176.300 -0.424 0.000 0.990 216 D CA 1.093 54.989 54.000 -0.173 0.000 0.827 216 D CB -0.931 39.944 40.800 0.125 0.000 0.975 216 D HN 0.145 nan 8.370 nan 0.000 0.451 217 F N 1.835 121.371 119.950 -0.690 0.000 2.095 217 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 217 F C 2.274 177.692 175.800 -0.636 0.000 1.104 217 F CA 1.180 58.565 58.000 -1.026 0.000 1.232 217 F CB -0.179 38.454 39.000 -0.611 0.000 0.987 217 F HN -0.242 nan 8.300 nan 0.000 0.475 218 V N 0.232 119.767 119.914 -0.632 0.000 2.358 218 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 218 V C 2.282 178.177 176.094 -0.331 0.000 1.047 218 V CA 2.406 64.366 62.300 -0.567 0.000 1.035 218 V CB -1.050 30.442 31.823 -0.552 0.000 0.658 218 V HN 0.471 nan 8.190 nan 0.000 0.452 219 H N -0.176 118.681 119.070 -0.355 0.000 2.387 219 H HA -0.137 4.418 4.556 -0.000 0.000 0.299 219 H C 2.335 177.525 175.328 -0.231 0.000 1.090 219 H CA 1.081 56.995 56.048 -0.222 0.000 1.332 219 H CB 0.028 29.706 29.762 -0.141 0.000 1.386 219 H HN 0.484 nan 8.280 nan 0.000 0.516 220 A N 0.425 123.097 122.820 -0.246 0.000 1.933 220 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 220 A C 2.502 179.929 177.584 -0.261 0.000 1.175 220 A CA 1.393 53.269 52.037 -0.269 0.000 0.628 220 A CB -0.641 18.081 19.000 -0.464 0.000 0.814 220 A HN 0.305 nan 8.150 nan 0.000 0.444 221 V N -0.314 119.340 119.914 -0.434 0.000 2.725 221 V HA 0.011 4.131 4.120 -0.000 0.000 0.247 221 V C 0.901 176.964 176.094 -0.052 0.000 1.058 221 V CA 0.747 62.857 62.300 -0.317 0.000 1.080 221 V CB -0.419 31.027 31.823 -0.629 0.000 0.713 221 V HN 0.343 nan 8.190 nan 0.000 0.465 222 K N 1.158 121.496 120.400 -0.105 0.000 2.187 222 K HA 0.206 4.526 4.320 -0.000 0.000 0.247 222 K C -2.312 174.261 176.600 -0.045 0.000 1.019 222 K CA -1.556 54.687 56.287 -0.074 0.000 0.893 222 K CB -0.384 32.062 32.500 -0.090 0.000 1.025 222 K HN 0.180 nan 8.250 nan 0.000 0.500 223 P HA -0.007 nan 4.420 nan 0.000 0.265 223 P C -0.534 176.720 177.300 -0.077 0.000 1.193 223 P CA 0.352 63.331 63.100 -0.201 0.000 0.765 223 P CB 0.321 31.898 31.700 -0.205 0.000 0.823 224 E N 5.310 125.515 120.200 0.009 0.000 2.415 224 E HA -0.026 4.324 4.350 -0.000 0.000 0.262 224 E C -1.211 175.449 176.600 0.101 0.000 1.038 224 E CA -1.216 55.279 56.400 0.160 0.000 0.921 224 E CB 0.099 30.017 29.700 0.363 0.000 0.950 224 E HN 0.432 nan 8.360 nan 0.000 0.438 225 P HA -0.200 nan 4.420 nan 0.000 0.221 225 P C 0.997 178.357 177.300 0.100 0.000 1.150 225 P CA 1.390 64.524 63.100 0.057 0.000 0.800 225 P CB 0.038 31.751 31.700 0.022 0.000 0.787 226 H N -0.794 118.313 119.070 0.063 0.000 2.333 226 H HA -0.072 4.484 4.556 -0.000 0.000 0.302 226 H C 1.530 176.957 175.328 0.165 0.000 1.075 226 H CA 1.439 57.512 56.048 0.041 0.000 1.348 226 H CB -1.318 28.397 29.762 -0.080 0.000 1.393 226 H HN 0.296 nan 8.280 nan 0.000 0.509 227 W N 0.158 121.083 121.300 -0.624 0.000 2.870 227 W HA 0.688 5.348 4.660 -0.000 0.000 0.358 227 W C 0.458 176.811 176.519 -0.276 0.000 1.043 227 W CA -0.964 56.155 57.345 -0.377 0.000 1.692 227 W CB -0.714 28.509 29.460 -0.395 0.000 1.100 227 W HN 0.443 nan 8.180 nan 0.000 0.557 228 A N 1.282 124.075 122.820 -0.045 0.000 2.667 228 A HA -0.139 4.181 4.320 -0.000 0.000 0.298 228 A C -0.447 176.912 177.584 -0.375 0.000 1.483 228 A CA 1.371 53.308 52.037 -0.167 0.000 0.738 228 A CB -2.399 16.528 19.000 -0.121 0.000 1.067 228 A HN 0.461 nan 8.150 nan 0.000 0.451 229 I N 0.505 120.713 120.570 -0.603 0.000 2.686 229 I HA 0.552 4.722 4.170 -0.000 0.000 0.295 229 I C -2.467 173.338 176.117 -0.521 0.000 1.114 229 I CA -2.409 58.429 61.300 -0.770 0.000 1.038 229 I CB 2.971 40.001 38.000 -1.617 0.000 1.238 229 I HN 0.217 nan 8.210 nan 0.000 0.420 230 P HA 0.310 nan 4.420 nan 0.000 0.289 230 P C -1.545 175.580 177.300 -0.290 0.000 1.293 230 P CA -0.835 62.030 63.100 -0.392 0.000 0.897 230 P CB 1.491 33.031 31.700 -0.266 0.000 1.166 231 Q N 0.752 120.429 119.800 -0.205 0.000 2.286 231 Q HA 0.479 4.819 4.340 -0.000 0.000 0.257 231 Q C 1.089 177.042 176.000 -0.079 0.000 0.941 231 Q CA 0.970 56.692 55.803 -0.136 0.000 0.912 231 Q CB -0.344 28.326 28.738 -0.114 0.000 1.192 231 Q HN 0.815 nan 8.270 nan 0.000 0.410 232 G N 3.321 112.085 108.800 -0.060 0.000 2.249 232 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.273 232 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.273 232 G C -0.443 174.462 174.900 0.008 0.000 1.036 232 G CA 0.623 45.712 45.100 -0.019 0.000 0.824 232 G HN 0.548 nan 8.290 nan 0.000 0.504 233 Q N -1.090 118.702 119.800 -0.013 0.000 2.315 233 Q HA 0.535 4.875 4.340 -0.000 0.000 0.273 233 Q C 0.743 176.752 176.000 0.015 0.000 1.053 233 Q CA -0.127 55.698 55.803 0.037 0.000 0.817 233 Q CB 1.796 30.592 28.738 0.097 0.000 1.326 233 Q HN 0.440 nan 8.270 nan 0.000 0.423 234 S N -0.472 115.144 115.700 -0.140 0.000 2.575 234 S HA 0.186 4.655 4.470 -0.000 0.000 0.215 234 S C 0.917 175.464 174.600 -0.088 0.000 0.966 234 S CA 0.002 57.891 58.200 -0.518 0.000 0.911 234 S CB 0.319 62.699 63.200 -1.367 0.000 0.780 234 S HN 0.592 nan 8.310 nan 0.000 0.514 235 A N 2.324 125.282 122.820 0.231 0.000 3.063 235 A HA 0.517 4.837 4.320 -0.000 0.000 0.263 235 A C 0.123 177.944 177.584 0.395 0.000 1.736 235 A CA -0.590 51.665 52.037 0.363 0.000 1.408 235 A CB -1.235 17.903 19.000 0.230 0.000 1.108 235 A HN 0.893 nan 8.150 nan 0.000 0.621 236 H N -3.712 115.544 119.070 0.309 0.000 3.014 236 H HA 0.509 5.065 4.556 -0.000 0.000 0.337 236 H C -0.209 175.305 175.328 0.310 0.000 1.320 236 H CA -0.745 55.449 56.048 0.243 0.000 1.128 236 H CB 0.297 30.164 29.762 0.176 0.000 1.862 236 H HN 0.066 nan 8.280 nan 0.000 0.536 237 D N 0.218 120.781 120.400 0.273 0.000 2.106 237 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 237 D C 2.140 178.490 176.300 0.082 0.000 0.997 237 D CA 3.242 57.339 54.000 0.160 0.000 0.834 237 D CB -0.367 40.507 40.800 0.123 0.000 0.956 237 D HN 0.787 nan 8.370 nan 0.000 0.448 238 T N -1.562 113.025 114.554 0.055 0.000 2.788 238 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 238 T C 1.902 176.523 174.700 -0.131 0.000 1.044 238 T CA 0.771 62.872 62.100 0.001 0.000 1.139 238 T CB -0.734 68.184 68.868 0.082 0.000 0.867 238 T HN 0.155 nan 8.240 nan 0.000 0.454 239 F N 0.946 120.570 119.950 -0.543 0.000 2.051 239 F HA 0.050 4.576 4.527 -0.000 0.000 0.296 239 F C 1.947 177.467 175.800 -0.467 0.000 1.122 239 F CA 0.868 58.478 58.000 -0.651 0.000 1.201 239 F CB -0.695 37.736 39.000 -0.949 0.000 0.978 239 F HN 0.156 nan 8.300 nan 0.000 0.472 240 W N 0.644 121.873 121.300 -0.118 0.000 2.425 240 W HA -0.133 4.527 4.660 -0.000 0.000 0.277 240 W C 2.337 178.776 176.519 -0.134 0.000 1.231 240 W CA 1.069 58.335 57.345 -0.132 0.000 1.248 240 W CB -0.668 28.799 29.460 0.011 0.000 1.117 240 W HN 0.102 nan 8.180 nan 0.000 0.568 241 D N -0.590 119.846 120.400 0.060 0.000 2.087 241 D HA -0.299 4.341 4.640 -0.000 0.000 0.192 241 D C 1.892 178.189 176.300 -0.004 0.000 0.993 241 D CA 1.577 55.597 54.000 0.033 0.000 0.828 241 D CB -0.655 40.171 40.800 0.043 0.000 0.968 241 D HN 0.183 nan 8.370 nan 0.000 0.448 242 Y N 0.473 120.665 120.300 -0.181 0.000 2.081 242 Y HA -0.251 4.299 4.550 -0.000 0.000 0.280 242 Y C 2.330 178.095 175.900 -0.224 0.000 1.163 242 Y CA 1.783 59.763 58.100 -0.200 0.000 1.135 242 Y CB -0.468 37.828 38.460 -0.273 0.000 0.970 242 Y HN -0.093 nan 8.280 nan 0.000 0.498 243 V N 0.062 119.859 119.914 -0.195 0.000 2.287 243 V HA -0.365 3.755 4.120 -0.000 0.000 0.248 243 V C 2.613 178.659 176.094 -0.080 0.000 1.053 243 V CA 2.278 64.459 62.300 -0.197 0.000 1.027 243 V CB -1.321 30.285 31.823 -0.361 0.000 0.646 243 V HN 0.669 nan 8.190 nan 0.000 0.447 244 S N -0.156 115.541 115.700 -0.006 0.000 2.419 244 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 244 S C 1.747 176.317 174.600 -0.050 0.000 1.016 244 S CA 1.510 59.724 58.200 0.022 0.000 0.974 244 S CB -0.506 62.736 63.200 0.069 0.000 0.786 244 S HN 0.563 nan 8.310 nan 0.000 0.492 245 L N -0.047 121.101 121.223 -0.125 0.000 2.567 245 L HA 0.304 4.644 4.340 -0.000 0.000 0.225 245 L C 0.598 177.302 176.870 -0.277 0.000 1.119 245 L CA 0.184 54.921 54.840 -0.172 0.000 0.871 245 L CB 0.011 41.967 42.059 -0.172 0.000 1.036 245 L HN 0.264 nan 8.230 nan 0.000 0.459 246 Q N 0.067 119.662 119.800 -0.342 0.000 3.244 246 Q HA 0.228 4.567 4.340 -0.000 0.000 0.249 246 Q C -1.905 173.882 176.000 -0.355 0.000 0.951 246 Q CA -1.513 54.045 55.803 -0.408 0.000 0.740 246 Q CB 1.463 29.847 28.738 -0.590 0.000 1.334 246 Q HN -0.023 nan 8.270 nan 0.000 0.448 247 P HA -0.254 nan 4.420 nan 0.000 0.218 247 P C 1.047 178.043 177.300 -0.508 0.000 1.146 247 P CA 1.347 64.183 63.100 -0.441 0.000 0.813 247 P CB 0.242 31.608 31.700 -0.558 0.000 0.778 248 E N 0.454 120.235 120.200 -0.697 0.000 2.209 248 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 248 E C 1.504 178.065 176.600 -0.064 0.000 0.993 248 E CA 1.916 58.163 56.400 -0.254 0.000 0.819 248 E CB -1.349 28.274 29.700 -0.128 0.000 0.745 248 E HN 0.313 nan 8.360 nan 0.000 0.477 249 T N -0.637 113.887 114.554 -0.050 0.000 3.035 249 T HA 0.022 4.372 4.350 -0.000 0.000 0.268 249 T C 1.960 176.738 174.700 0.129 0.000 1.109 249 T CA 0.417 62.557 62.100 0.067 0.000 1.119 249 T CB -0.331 68.608 68.868 0.120 0.000 0.900 249 T HN 0.148 nan 8.240 nan 0.000 0.503 250 L N 0.086 121.384 121.223 0.124 0.000 2.127 250 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 250 L C 2.853 179.897 176.870 0.289 0.000 1.089 250 L CA 1.863 56.848 54.840 0.241 0.000 0.757 250 L CB -0.783 41.426 42.059 0.251 0.000 0.899 250 L HN 0.489 nan 8.230 nan 0.000 0.434 251 H N 0.012 119.134 119.070 0.087 0.000 2.293 251 H HA -0.203 4.353 4.556 -0.000 0.000 0.300 251 H C 2.172 177.504 175.328 0.007 0.000 1.082 251 H CA 1.830 57.926 56.048 0.080 0.000 1.308 251 H CB 0.216 29.988 29.762 0.017 0.000 1.375 251 H HN 0.366 nan 8.280 nan 0.000 0.495 252 N N -0.144 118.377 118.700 -0.299 0.000 2.244 252 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 252 N C 1.941 177.271 175.510 -0.300 0.000 1.016 252 N CA 0.725 53.372 53.050 -0.671 0.000 0.866 252 N CB 0.272 37.863 38.487 -1.493 0.000 0.980 252 N HN 0.117 nan 8.380 nan 0.000 0.430 253 V N 1.582 121.558 119.914 0.103 0.000 2.407 253 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 253 V C 2.456 178.698 176.094 0.246 0.000 1.055 253 V CA 1.182 63.691 62.300 0.348 0.000 1.049 253 V CB -0.341 31.745 31.823 0.438 0.000 0.662 253 V HN 0.408 nan 8.190 nan 0.000 0.455 254 M N -1.621 118.158 119.600 0.299 0.000 2.108 254 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 254 M C 2.061 178.401 176.300 0.066 0.000 1.066 254 M CA 1.851 57.340 55.300 0.316 0.000 1.107 254 M CB -1.187 31.633 32.600 0.367 0.000 1.356 254 M HN 0.473 nan 8.290 nan 0.000 0.406 255 W N 0.432 121.502 121.300 -0.384 0.000 2.358 255 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 255 W C 2.770 179.233 176.519 -0.093 0.000 1.208 255 W CA 1.799 58.893 57.345 -0.418 0.000 1.274 255 W CB -1.028 28.092 29.460 -0.568 0.000 1.138 255 W HN 0.284 nan 8.180 nan 0.000 0.515 256 A N -0.616 122.297 122.820 0.156 0.000 1.933 256 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 256 A C 1.924 179.565 177.584 0.095 0.000 1.175 256 A CA 1.686 53.815 52.037 0.153 0.000 0.628 256 A CB -0.591 18.537 19.000 0.213 0.000 0.814 256 A HN 0.100 nan 8.150 nan 0.000 0.444 257 M N 0.642 120.255 119.600 0.022 0.000 2.492 257 M HA 0.018 4.498 4.480 -0.000 0.000 0.262 257 M C 1.450 177.794 176.300 0.074 0.000 1.090 257 M CA 0.785 56.036 55.300 -0.082 0.000 1.110 257 M CB -1.386 30.910 32.600 -0.506 0.000 1.407 257 M HN 0.556 nan 8.290 nan 0.000 0.470 258 S N 0.029 115.832 115.700 0.171 0.000 2.661 258 S HA 0.124 4.594 4.470 -0.000 0.000 0.265 258 S C 0.740 175.469 174.600 0.216 0.000 1.225 258 S CA -0.484 57.853 58.200 0.228 0.000 0.986 258 S CB 1.023 64.397 63.200 0.291 0.000 1.008 258 S HN 0.167 nan 8.310 nan 0.000 0.565 259 D N 0.142 120.686 120.400 0.240 0.000 2.348 259 D HA 0.037 4.676 4.640 -0.000 0.000 0.216 259 D C 1.895 178.340 176.300 0.240 0.000 0.970 259 D CA 0.323 54.489 54.000 0.275 0.000 0.889 259 D CB -0.160 40.873 40.800 0.388 0.000 0.912 259 D HN 0.364 nan 8.370 nan 0.000 0.524 260 R N 0.290 120.922 120.500 0.220 0.000 2.127 260 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 260 R C 2.065 178.522 176.300 0.261 0.000 1.134 260 R CA 1.093 57.348 56.100 0.258 0.000 0.975 260 R CB -0.895 29.617 30.300 0.355 0.000 0.865 260 R HN 0.198 nan 8.270 nan 0.000 0.447 261 G N 1.127 110.069 108.800 0.237 0.000 2.679 261 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 261 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 261 G C 0.984 176.028 174.900 0.239 0.000 1.137 261 G CA 0.083 45.317 45.100 0.223 0.000 0.787 261 G HN 0.411 nan 8.290 nan 0.000 0.534 262 I N -1.924 118.796 120.570 0.251 0.000 2.926 262 I HA 0.350 4.519 4.170 -0.000 0.000 0.295 262 I C -2.855 173.416 176.117 0.257 0.000 1.463 262 I CA -2.604 58.849 61.300 0.256 0.000 0.892 262 I CB 1.636 39.789 38.000 0.255 0.000 1.874 262 I HN -0.269 nan 8.210 nan 0.000 0.620 263 P HA 0.042 nan 4.420 nan 0.000 0.267 263 P C 0.603 178.043 177.300 0.233 0.000 1.200 263 P CA -0.098 63.113 63.100 0.186 0.000 0.772 263 P CB 1.084 32.823 31.700 0.066 0.000 0.855 264 R N 1.813 122.428 120.500 0.191 0.000 2.092 264 R HA 0.033 4.372 4.340 -0.000 0.000 0.231 264 R C 0.427 176.853 176.300 0.210 0.000 1.119 264 R CA 1.481 57.736 56.100 0.258 0.000 0.970 264 R CB -0.365 30.065 30.300 0.217 0.000 0.864 264 R HN 0.520 nan 8.270 nan 0.000 0.440 265 S N -2.758 112.871 115.700 -0.118 0.000 2.567 265 S HA 0.251 4.721 4.470 -0.000 0.000 0.270 265 S C -0.414 173.873 174.600 -0.521 0.000 1.152 265 S CA -0.862 57.097 58.200 -0.400 0.000 0.835 265 S CB 0.247 63.355 63.200 -0.153 0.000 1.115 265 S HN 0.121 nan 8.310 nan 0.000 0.459 266 Y N 2.042 121.983 120.300 -0.597 0.000 2.352 266 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 266 Y C 2.361 177.926 175.900 -0.559 0.000 1.136 266 Y CA 1.001 58.629 58.100 -0.786 0.000 1.227 266 Y CB -0.278 37.348 38.460 -1.390 0.000 0.991 266 Y HN 0.561 nan 8.280 nan 0.000 0.545 267 R N -0.489 119.883 120.500 -0.214 0.000 2.237 267 R HA -0.053 4.287 4.340 -0.000 0.000 0.219 267 R C 0.987 177.245 176.300 -0.069 0.000 1.080 267 R CA 1.528 57.555 56.100 -0.122 0.000 0.995 267 R CB -0.368 29.856 30.300 -0.127 0.000 0.875 267 R HN 0.321 nan 8.270 nan 0.000 0.462 268 T N -1.868 112.661 114.554 -0.042 0.000 3.313 268 T HA 0.362 4.712 4.350 -0.000 0.000 0.263 268 T C 0.112 174.852 174.700 0.067 0.000 0.983 268 T CA -0.694 61.411 62.100 0.009 0.000 0.963 268 T CB -0.074 68.786 68.868 -0.014 0.000 1.141 268 T HN 0.068 nan 8.240 nan 0.000 0.526 269 M N -1.104 118.576 119.600 0.133 0.000 2.619 269 M HA 0.738 5.218 4.480 -0.000 0.000 0.297 269 M C -1.243 175.235 176.300 0.297 0.000 1.229 269 M CA -0.861 54.560 55.300 0.201 0.000 0.860 269 M CB 2.224 34.937 32.600 0.188 0.000 1.741 269 M HN -0.122 nan 8.290 nan 0.000 0.462 270 E N 0.380 120.755 120.200 0.293 0.000 2.314 270 E HA 0.692 5.042 4.350 -0.000 0.000 0.262 270 E C -0.381 176.289 176.600 0.117 0.000 1.093 270 E CA -0.708 55.802 56.400 0.183 0.000 0.908 270 E CB 1.834 31.601 29.700 0.111 0.000 1.091 270 E HN 0.870 nan 8.360 nan 0.000 0.425 271 G N 0.830 109.508 108.800 -0.204 0.000 2.571 271 G HA2 0.629 4.589 3.960 -0.000 0.000 0.304 271 G HA3 0.629 4.589 3.960 -0.000 0.000 0.304 271 G C -1.500 172.992 174.900 -0.680 0.000 1.314 271 G CA -0.468 44.505 45.100 -0.212 0.000 0.975 271 G HN 0.283 nan 8.290 nan 0.000 0.485 272 F N -0.175 119.714 119.950 -0.101 0.000 2.608 272 F HA 0.505 5.031 4.527 -0.000 0.000 0.309 272 F C 1.066 176.782 175.800 -0.140 0.000 1.103 272 F CA -0.559 57.308 58.000 -0.220 0.000 0.954 272 F CB 2.582 41.403 39.000 -0.298 0.000 1.267 272 F HN 0.604 nan 8.300 nan 0.000 0.444 273 G N 0.932 109.796 108.800 0.108 0.000 2.712 273 G HA2 0.119 4.078 3.960 -0.000 0.000 0.212 273 G HA3 0.119 4.078 3.960 -0.000 0.000 0.212 273 G C 1.248 176.210 174.900 0.104 0.000 1.142 273 G CA 0.772 45.994 45.100 0.203 0.000 0.789 273 G HN 0.807 nan 8.290 nan 0.000 0.535 274 I N -0.933 119.616 120.570 -0.034 0.000 4.473 274 I HA -0.343 3.827 4.170 -0.000 0.000 0.062 274 I C 0.678 176.651 176.117 -0.239 0.000 0.603 274 I CA 1.682 62.837 61.300 -0.243 0.000 0.966 274 I CB -1.151 36.593 38.000 -0.427 0.000 0.870 274 I HN 0.280 nan 8.210 nan 0.000 0.168 275 H N 1.878 120.941 119.070 -0.011 0.000 2.607 275 H HA 0.240 4.795 4.556 -0.000 0.000 0.367 275 H C 0.116 175.347 175.328 -0.163 0.000 1.181 275 H CA 0.389 56.333 56.048 -0.173 0.000 1.402 275 H CB 0.373 29.870 29.762 -0.442 0.000 1.474 275 H HN 0.159 nan 8.280 nan 0.000 0.596 276 T N 3.744 118.244 114.554 -0.090 0.000 2.779 276 T HA 0.204 4.554 4.350 -0.000 0.000 0.296 276 T C 0.269 174.867 174.700 -0.169 0.000 0.938 276 T CA 0.033 62.067 62.100 -0.109 0.000 1.119 276 T CB -0.303 68.458 68.868 -0.179 0.000 0.891 276 T HN 0.227 nan 8.240 nan 0.000 0.526 277 F N 1.552 121.443 119.950 -0.099 0.000 2.544 277 F HA 0.659 5.185 4.527 -0.000 0.000 0.378 277 F C 1.137 176.886 175.800 -0.086 0.000 1.112 277 F CA -1.253 56.716 58.000 -0.053 0.000 1.115 277 F CB 1.230 40.172 39.000 -0.097 0.000 1.436 277 F HN 0.196 nan 8.300 nan 0.000 0.496 278 R N 0.345 120.906 120.500 0.101 0.000 2.803 278 R HA 0.668 5.008 4.340 -0.000 0.000 0.276 278 R C -1.658 174.529 176.300 -0.187 0.000 0.978 278 R CA -0.920 55.111 56.100 -0.115 0.000 0.939 278 R CB 2.023 32.193 30.300 -0.217 0.000 1.179 278 R HN 0.428 nan 8.270 nan 0.000 0.472 279 L N 3.183 124.250 121.223 -0.261 0.000 2.317 279 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 279 L C -0.610 176.105 176.870 -0.259 0.000 1.024 279 L CA -0.958 53.737 54.840 -0.241 0.000 0.810 279 L CB 1.546 43.472 42.059 -0.220 0.000 1.240 279 L HN 0.370 nan 8.230 nan 0.000 0.427 280 I N 2.817 123.259 120.570 -0.215 0.000 2.439 280 I HA 0.262 4.432 4.170 -0.000 0.000 0.285 280 I C -0.314 175.717 176.117 -0.143 0.000 1.021 280 I CA -0.710 60.465 61.300 -0.207 0.000 1.091 280 I CB 1.349 39.230 38.000 -0.198 0.000 1.242 280 I HN 0.622 nan 8.210 nan 0.000 0.439 281 N N 4.906 123.533 118.700 -0.121 0.000 2.448 281 N HA 0.365 5.105 4.740 -0.000 0.000 0.274 281 N C 0.883 176.353 175.510 -0.067 0.000 1.239 281 N CA -0.330 52.670 53.050 -0.084 0.000 0.982 281 N CB 0.705 39.151 38.487 -0.069 0.000 1.199 281 N HN 0.525 nan 8.380 nan 0.000 0.576 282 A N -0.445 122.345 122.820 -0.050 0.000 2.019 282 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 282 A C 1.416 178.981 177.584 -0.032 0.000 1.164 282 A CA 1.337 53.351 52.037 -0.038 0.000 0.644 282 A CB -0.720 18.263 19.000 -0.028 0.000 0.805 282 A HN 0.745 nan 8.150 nan 0.000 0.449 283 E N -1.383 118.798 120.200 -0.031 0.000 2.502 283 E HA 0.286 4.636 4.350 -0.000 0.000 0.194 283 E C 1.257 177.847 176.600 -0.017 0.000 1.062 283 E CA 0.747 57.134 56.400 -0.023 0.000 0.867 283 E CB -0.165 29.522 29.700 -0.021 0.000 0.888 283 E HN 0.740 nan 8.360 nan 0.000 0.510 284 G N 1.126 109.912 108.800 -0.023 0.000 2.157 284 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.248 284 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.248 284 G C 0.298 175.215 174.900 0.028 0.000 0.979 284 G CA 0.290 45.395 45.100 0.009 0.000 0.650 284 G HN 0.290 nan 8.290 nan 0.000 0.529 285 K N 0.827 121.204 120.400 -0.039 0.000 2.322 285 K HA 0.670 4.989 4.320 -0.000 0.000 0.283 285 K C 0.607 177.067 176.600 -0.233 0.000 1.042 285 K CA 0.193 56.430 56.287 -0.083 0.000 0.958 285 K CB 0.597 33.050 32.500 -0.078 0.000 0.984 285 K HN 0.602 nan 8.250 nan 0.000 0.473 286 A N 3.338 125.912 122.820 -0.411 0.000 2.306 286 A HA 0.444 4.764 4.320 -0.000 0.000 0.314 286 A C -0.758 176.522 177.584 -0.507 0.000 1.164 286 A CA -0.529 51.106 52.037 -0.669 0.000 0.822 286 A CB 1.196 19.377 19.000 -1.364 0.000 1.130 286 A HN 0.733 nan 8.150 nan 0.000 0.496 287 T N 2.180 116.468 114.554 -0.444 0.000 2.848 287 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 287 T C -0.643 173.843 174.700 -0.357 0.000 0.995 287 T CA -0.075 61.817 62.100 -0.347 0.000 0.970 287 T CB 0.410 69.165 68.868 -0.188 0.000 0.976 287 T HN 0.340 nan 8.240 nan 0.000 0.441 288 F N 2.094 121.953 119.950 -0.152 0.000 2.459 288 F HA 0.509 5.036 4.527 -0.000 0.000 0.346 288 F C 0.600 176.283 175.800 -0.195 0.000 1.128 288 F CA -0.384 57.519 58.000 -0.162 0.000 1.268 288 F CB 0.613 39.535 39.000 -0.129 0.000 1.161 288 F HN 0.189 nan 8.300 nan 0.000 0.583 289 V N 4.526 124.400 119.914 -0.066 0.000 2.808 289 V HA 0.582 4.702 4.120 -0.000 0.000 0.308 289 V C -1.049 174.819 176.094 -0.377 0.000 1.099 289 V CA -0.775 61.343 62.300 -0.304 0.000 0.920 289 V CB 2.068 33.502 31.823 -0.648 0.000 1.014 289 V HN 0.770 nan 8.190 nan 0.000 0.425 290 R N 5.007 125.347 120.500 -0.267 0.000 2.494 290 R HA 0.542 4.882 4.340 -0.000 0.000 0.305 290 R C -1.596 174.663 176.300 -0.068 0.000 0.959 290 R CA -0.474 55.521 56.100 -0.176 0.000 0.864 290 R CB 1.911 32.218 30.300 0.011 0.000 1.159 290 R HN 0.601 nan 8.270 nan 0.000 0.446 291 F N 2.687 122.688 119.950 0.085 0.000 2.396 291 F HA 0.317 4.844 4.527 -0.000 0.000 0.343 291 F C 1.022 176.761 175.800 -0.102 0.000 1.104 291 F CA 0.005 58.017 58.000 0.020 0.000 1.161 291 F CB 0.733 39.645 39.000 -0.147 0.000 1.146 291 F HN 0.220 nan 8.300 nan 0.000 0.522 292 H N 1.267 120.342 119.070 0.008 0.000 2.690 292 H HA 0.263 4.818 4.556 -0.000 0.000 0.368 292 H C -1.482 173.589 175.328 -0.428 0.000 1.150 292 H CA -0.993 54.937 56.048 -0.197 0.000 1.174 292 H CB 1.925 31.668 29.762 -0.032 0.000 1.684 292 H HN 0.662 nan 8.280 nan 0.000 0.538 293 W N 2.141 123.334 121.300 -0.179 0.000 2.532 293 W HA 0.329 4.989 4.660 -0.000 0.000 0.321 293 W C -0.119 176.420 176.519 0.034 0.000 1.037 293 W CA -0.772 56.514 57.345 -0.097 0.000 1.220 293 W CB 1.792 31.025 29.460 -0.378 0.000 1.361 293 W HN 0.298 nan 8.180 nan 0.000 0.468 294 K N 5.453 126.117 120.400 0.440 0.000 2.265 294 K HA 0.418 4.737 4.320 -0.000 0.000 0.267 294 K C -2.459 174.366 176.600 0.374 0.000 0.994 294 K CA -1.970 54.515 56.287 0.329 0.000 0.860 294 K CB 1.473 34.120 32.500 0.245 0.000 1.099 294 K HN 0.019 nan 8.250 nan 0.000 0.448 295 P HA 0.046 nan 4.420 nan 0.000 0.276 295 P C 0.225 177.543 177.300 0.031 0.000 1.253 295 P CA -0.040 63.130 63.100 0.117 0.000 0.766 295 P CB 0.711 32.486 31.700 0.126 0.000 0.845 296 L N 2.628 123.815 121.223 -0.060 0.000 2.376 296 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 296 L C 2.193 179.048 176.870 -0.025 0.000 1.133 296 L CA 1.007 55.842 54.840 -0.008 0.000 0.816 296 L CB -0.526 41.535 42.059 0.004 0.000 0.933 296 L HN 0.340 nan 8.230 nan 0.000 0.449 297 A N 0.012 122.791 122.820 -0.069 0.000 2.238 297 A HA 0.391 4.711 4.320 -0.000 0.000 0.208 297 A C 1.258 178.842 177.584 -0.001 0.000 1.177 297 A CA 0.723 52.735 52.037 -0.041 0.000 0.804 297 A CB -0.409 18.549 19.000 -0.070 0.000 0.823 297 A HN 0.448 nan 8.150 nan 0.000 0.482 298 G N -0.724 108.089 108.800 0.022 0.000 2.712 298 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.683 298 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.683 298 G C -0.661 174.272 174.900 0.055 0.000 1.320 298 G CA -0.439 44.693 45.100 0.054 0.000 0.847 298 G HN 0.457 nan 8.290 nan 0.000 0.553 299 K N 0.132 120.572 120.400 0.067 0.000 2.172 299 K HA 0.712 5.032 4.320 -0.000 0.000 0.276 299 K C 0.217 176.825 176.600 0.014 0.000 1.013 299 K CA 0.237 56.550 56.287 0.044 0.000 0.913 299 K CB 1.730 34.245 32.500 0.025 0.000 1.055 299 K HN 1.522 nan 8.250 nan 0.000 0.461 300 A N 1.737 124.551 122.820 -0.010 0.000 2.555 300 A HA 0.552 4.872 4.320 -0.000 0.000 0.297 300 A C -1.170 176.463 177.584 0.083 0.000 1.060 300 A CA -0.695 51.295 52.037 -0.077 0.000 0.710 300 A CB 1.620 20.376 19.000 -0.407 0.000 1.282 300 A HN 0.509 nan 8.150 nan 0.000 0.399 301 S N 0.705 116.609 115.700 0.340 0.000 2.632 301 S HA 0.764 5.233 4.470 -0.000 0.000 0.289 301 S C -0.041 174.884 174.600 0.542 0.000 1.115 301 S CA -0.639 57.798 58.200 0.395 0.000 0.889 301 S CB 1.234 64.656 63.200 0.370 0.000 1.116 301 S HN 0.659 nan 8.310 nan 0.000 0.486 302 L N 1.230 122.660 121.223 0.344 0.000 2.505 302 L HA 0.551 4.891 4.340 -0.000 0.000 0.226 302 L C -0.024 176.969 176.870 0.205 0.000 1.211 302 L CA -0.791 54.174 54.840 0.209 0.000 0.828 302 L CB 0.129 42.221 42.059 0.056 0.000 1.331 302 L HN 0.492 nan 8.230 nan 0.000 0.513 303 V N -3.250 116.683 119.914 0.033 0.000 2.769 303 V HA 0.178 4.298 4.120 -0.000 0.000 0.312 303 V C 0.679 176.724 176.094 -0.081 0.000 1.058 303 V CA -0.845 61.447 62.300 -0.012 0.000 0.952 303 V CB 1.612 33.407 31.823 -0.048 0.000 1.019 303 V HN 0.930 nan 8.190 nan 0.000 0.445 304 W N 2.286 123.461 121.300 -0.208 0.000 2.317 304 W HA -0.260 4.399 4.660 -0.000 0.000 0.318 304 W C 1.775 178.142 176.519 -0.253 0.000 1.227 304 W CA 2.719 59.932 57.345 -0.220 0.000 1.269 304 W CB -0.120 29.195 29.460 -0.242 0.000 1.155 304 W HN 1.008 nan 8.180 nan 0.000 0.484 305 D N 0.105 120.217 120.400 -0.481 0.000 2.149 305 D HA -0.283 4.357 4.640 -0.000 0.000 0.198 305 D C 2.146 178.092 176.300 -0.590 0.000 0.990 305 D CA 2.079 55.772 54.000 -0.512 0.000 0.839 305 D CB -0.467 40.287 40.800 -0.077 0.000 0.948 305 D HN 0.398 nan 8.370 nan 0.000 0.460 306 E N -0.430 119.291 120.200 -0.797 0.000 2.047 306 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 306 E C 2.029 178.280 176.600 -0.582 0.000 0.987 306 E CA 0.984 56.844 56.400 -0.899 0.000 0.799 306 E CB -0.208 28.878 29.700 -1.022 0.000 0.752 306 E HN 0.308 nan 8.360 nan 0.000 0.449 307 A N 1.205 123.706 122.820 -0.531 0.000 1.883 307 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 307 A C 2.188 179.436 177.584 -0.560 0.000 1.186 307 A CA 1.837 53.605 52.037 -0.447 0.000 0.624 307 A CB -0.735 18.108 19.000 -0.262 0.000 0.822 307 A HN 0.436 nan 8.150 nan 0.000 0.444 308 Q N -0.367 118.899 119.800 -0.890 0.000 2.084 308 Q HA -0.191 4.148 4.340 -0.000 0.000 0.202 308 Q C 2.032 177.759 176.000 -0.455 0.000 0.978 308 Q CA 1.776 57.091 55.803 -0.813 0.000 0.844 308 Q CB -0.121 27.874 28.738 -1.239 0.000 0.898 308 Q HN 0.680 nan 8.270 nan 0.000 0.426 309 K N 0.098 120.252 120.400 -0.411 0.000 2.057 309 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 309 K C 2.076 178.535 176.600 -0.236 0.000 1.049 309 K CA 0.957 57.092 56.287 -0.255 0.000 0.931 309 K CB -0.161 32.226 32.500 -0.188 0.000 0.714 309 K HN 0.164 nan 8.250 nan 0.000 0.440 310 L N 1.585 122.625 121.223 -0.305 0.000 2.201 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 310 L C 2.353 179.081 176.870 -0.236 0.000 1.105 310 L CA 1.962 56.615 54.840 -0.311 0.000 0.775 310 L CB -0.919 40.858 42.059 -0.469 0.000 0.913 310 L HN 0.310 nan 8.230 nan 0.000 0.440 311 T N -4.294 110.125 114.554 -0.226 0.000 2.881 311 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 311 T C 1.832 176.464 174.700 -0.114 0.000 1.068 311 T CA 1.054 63.062 62.100 -0.153 0.000 1.131 311 T CB -0.929 67.859 68.868 -0.134 0.000 0.871 311 T HN 0.383 nan 8.240 nan 0.000 0.479 312 G N 0.977 109.704 108.800 -0.121 0.000 2.441 312 G HA2 0.028 3.987 3.960 -0.000 0.000 0.212 312 G HA3 0.028 3.987 3.960 -0.000 0.000 0.212 312 G C 1.917 176.771 174.900 -0.077 0.000 1.164 312 G CA -0.275 44.772 45.100 -0.088 0.000 0.811 312 G HN 0.314 nan 8.290 nan 0.000 0.535 313 R N 0.306 120.751 120.500 -0.092 0.000 2.090 313 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 313 R C -0.141 176.131 176.300 -0.046 0.000 1.110 313 R CA 0.910 56.969 56.100 -0.068 0.000 0.973 313 R CB -0.197 30.055 30.300 -0.080 0.000 0.869 313 R HN 0.350 nan 8.270 nan 0.000 0.440 314 D N -0.412 119.955 120.400 -0.056 0.000 2.411 314 D HA 0.146 4.786 4.640 -0.000 0.000 0.239 314 D C -2.117 174.181 176.300 -0.002 0.000 1.307 314 D CA -1.849 52.152 54.000 0.001 0.000 0.930 314 D CB 1.379 42.228 40.800 0.082 0.000 1.395 314 D HN -0.158 nan 8.370 nan 0.000 0.536 315 P HA -0.001 nan 4.420 nan 0.000 0.225 315 P C 0.077 177.380 177.300 0.004 0.000 1.148 315 P CA 0.667 63.752 63.100 -0.025 0.000 0.779 315 P CB 0.474 32.157 31.700 -0.029 0.000 0.780 316 D N -1.472 118.944 120.400 0.026 0.000 2.427 316 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 316 D C 1.178 177.523 176.300 0.075 0.000 1.157 316 D CA -0.396 53.627 54.000 0.038 0.000 0.828 316 D CB -0.580 40.220 40.800 -0.000 0.000 0.974 316 D HN 0.127 nan 8.370 nan 0.000 0.498 317 F N 1.082 120.980 119.950 -0.087 0.000 2.134 317 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 317 F C 2.057 177.846 175.800 -0.018 0.000 1.097 317 F CA 1.776 59.727 58.000 -0.082 0.000 1.264 317 F CB 0.083 38.987 39.000 -0.160 0.000 1.001 317 F HN 0.112 nan 8.300 nan 0.000 0.479 318 H N -1.200 117.831 119.070 -0.065 0.000 2.395 318 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 318 H C 2.363 177.625 175.328 -0.111 0.000 1.070 318 H CA 0.825 56.695 56.048 -0.298 0.000 1.356 318 H CB -0.057 29.359 29.762 -0.578 0.000 1.401 318 H HN 0.180 nan 8.280 nan 0.000 0.524 319 R N 1.278 121.895 120.500 0.196 0.000 2.081 319 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 319 R C 2.428 178.841 176.300 0.187 0.000 1.131 319 R CA 1.203 57.460 56.100 0.261 0.000 0.960 319 R CB -0.015 30.420 30.300 0.224 0.000 0.856 319 R HN 0.182 nan 8.270 nan 0.000 0.436 320 R N 0.356 120.890 120.500 0.057 0.000 2.073 320 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 320 R C 2.179 178.478 176.300 -0.003 0.000 1.134 320 R CA 1.698 57.807 56.100 0.015 0.000 0.952 320 R CB -0.225 30.043 30.300 -0.055 0.000 0.850 320 R HN 0.262 nan 8.270 nan 0.000 0.433 321 E N 0.730 120.827 120.200 -0.172 0.000 2.077 321 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 321 E C 2.013 178.591 176.600 -0.037 0.000 0.989 321 E CA 1.145 57.417 56.400 -0.213 0.000 0.800 321 E CB -0.108 29.303 29.700 -0.482 0.000 0.746 321 E HN 0.283 nan 8.360 nan 0.000 0.452 322 L N 0.750 122.000 121.223 0.045 0.000 2.046 322 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 322 L C 2.259 179.239 176.870 0.183 0.000 1.077 322 L CA 1.788 56.702 54.840 0.123 0.000 0.747 322 L CB -0.833 41.361 42.059 0.226 0.000 0.896 322 L HN 0.293 nan 8.230 nan 0.000 0.432 323 W N 0.844 122.182 121.300 0.062 0.000 2.358 323 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 323 W C 2.166 178.714 176.519 0.049 0.000 1.208 323 W CA 2.049 59.440 57.345 0.076 0.000 1.274 323 W CB -0.037 29.471 29.460 0.080 0.000 1.138 323 W HN 0.347 nan 8.180 nan 0.000 0.515 324 E N -0.031 120.338 120.200 0.282 0.000 2.152 324 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 324 E C 2.363 178.991 176.600 0.047 0.000 0.983 324 E CA 0.971 57.459 56.400 0.147 0.000 0.818 324 E CB -0.311 29.431 29.700 0.069 0.000 0.758 324 E HN 0.161 nan 8.360 nan 0.000 0.467 325 A N 1.427 124.273 122.820 0.042 0.000 1.877 325 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 325 A C 2.174 179.783 177.584 0.042 0.000 1.186 325 A CA 1.167 53.221 52.037 0.029 0.000 0.620 325 A CB -0.623 18.396 19.000 0.031 0.000 0.822 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.468 120.150 120.570 0.080 0.000 2.226 326 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 326 I C 2.488 178.678 176.117 0.120 0.000 1.100 326 I CA 1.526 62.927 61.300 0.169 0.000 1.374 326 I CB -0.413 37.615 38.000 0.048 0.000 1.057 326 I HN 0.429 nan 8.210 nan 0.000 0.413 327 E N 0.746 120.962 120.200 0.026 0.000 2.150 327 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 327 E C 2.189 178.802 176.600 0.021 0.000 0.985 327 E CA 1.207 57.630 56.400 0.039 0.000 0.814 327 E CB -0.085 29.665 29.700 0.084 0.000 0.752 327 E HN 0.513 nan 8.360 nan 0.000 0.466 328 A N 0.003 122.811 122.820 -0.020 0.000 2.169 328 A HA 0.196 4.516 4.320 -0.000 0.000 0.212 328 A C 1.774 179.288 177.584 -0.116 0.000 1.153 328 A CA 1.014 53.018 52.037 -0.057 0.000 0.756 328 A CB -0.052 18.889 19.000 -0.097 0.000 0.813 328 A HN 0.344 nan 8.150 nan 0.000 0.471 329 G N -0.573 108.076 108.800 -0.252 0.000 2.157 329 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.239 329 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.239 329 G C -0.217 174.222 174.900 -0.767 0.000 0.982 329 G CA 0.215 44.884 45.100 -0.718 0.000 0.650 329 G HN 0.438 nan 8.290 nan 0.000 0.527 330 D N 1.066 121.257 120.400 -0.347 0.000 3.057 330 D HA 0.277 4.916 4.640 -0.000 0.000 0.246 330 D C 0.750 177.002 176.300 -0.081 0.000 1.238 330 D CA -0.207 53.686 54.000 -0.179 0.000 0.949 330 D CB -0.677 40.112 40.800 -0.019 0.000 1.086 330 D HN 0.441 nan 8.370 nan 0.000 0.487 331 F N 1.309 121.259 119.950 0.000 0.000 2.602 331 F HA 0.074 4.601 4.527 -0.000 0.000 0.385 331 F C -1.392 174.377 175.800 -0.052 0.000 1.063 331 F CA -1.868 56.124 58.000 -0.014 0.000 1.233 331 F CB -0.076 38.925 39.000 0.002 0.000 1.067 331 F HN -0.117 nan 8.300 nan 0.000 0.564 332 P HA 0.001 nan 4.420 nan 0.000 0.262 332 P C -1.059 176.167 177.300 -0.123 0.000 1.199 332 P CA 0.438 63.517 63.100 -0.035 0.000 0.763 332 P CB 0.405 32.167 31.700 0.103 0.000 0.790 333 E N 2.804 122.797 120.200 -0.344 0.000 2.222 333 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 333 E C -0.984 175.335 176.600 -0.469 0.000 0.884 333 E CA -0.603 55.655 56.400 -0.237 0.000 0.764 333 E CB 1.537 31.200 29.700 -0.061 0.000 1.169 333 E HN 0.389 nan 8.360 nan 0.000 0.413 334 Y N 0.283 120.657 120.300 0.124 0.000 2.477 334 Y HA 0.255 4.805 4.550 -0.000 0.000 0.347 334 Y C -0.190 175.943 175.900 0.388 0.000 0.981 334 Y CA -1.001 57.247 58.100 0.246 0.000 1.033 334 Y CB 2.061 40.648 38.460 0.212 0.000 1.245 334 Y HN 0.471 nan 8.280 nan 0.000 0.455 335 E N 2.878 123.408 120.200 0.550 0.000 2.109 335 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 335 E C -1.422 175.446 176.600 0.446 0.000 0.954 335 E CA -0.955 55.717 56.400 0.453 0.000 0.779 335 E CB 0.993 30.893 29.700 0.334 0.000 1.093 335 E HN 0.609 nan 8.360 nan 0.000 0.401 336 L N 4.266 125.693 121.223 0.341 0.000 2.416 336 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 336 L C -0.026 176.784 176.870 -0.100 0.000 1.161 336 L CA 0.784 55.535 54.840 -0.149 0.000 0.845 336 L CB 0.986 42.907 42.059 -0.230 0.000 1.119 336 L HN 0.587 nan 8.230 nan 0.000 0.464 337 G N 4.281 113.027 108.800 -0.091 0.000 2.696 337 G HA2 0.547 4.507 3.960 -0.000 0.000 0.295 337 G HA3 0.547 4.507 3.960 -0.000 0.000 0.295 337 G C -1.664 173.373 174.900 0.228 0.000 1.398 337 G CA -0.547 44.540 45.100 -0.020 0.000 0.920 337 G HN 0.466 nan 8.290 nan 0.000 0.492 338 F N 0.155 120.128 119.950 0.037 0.000 2.520 338 F HA 0.421 4.948 4.527 -0.000 0.000 0.322 338 F C 0.348 176.147 175.800 -0.003 0.000 1.103 338 F CA -0.996 57.035 58.000 0.050 0.000 0.926 338 F CB 2.633 41.652 39.000 0.032 0.000 1.154 338 F HN 0.128 nan 8.300 nan 0.000 0.453 339 Q N 4.102 124.023 119.800 0.201 0.000 2.303 339 Q HA 0.509 4.849 4.340 -0.000 0.000 0.257 339 Q C -1.121 174.927 176.000 0.079 0.000 0.941 339 Q CA -0.468 55.396 55.803 0.102 0.000 0.931 339 Q CB 2.069 30.870 28.738 0.105 0.000 1.215 339 Q HN 0.527 nan 8.270 nan 0.000 0.437 340 L N 4.297 125.571 121.223 0.086 0.000 2.333 340 L HA 0.583 4.923 4.340 -0.000 0.000 0.280 340 L C -0.865 176.059 176.870 0.089 0.000 1.004 340 L CA -0.790 54.090 54.840 0.068 0.000 0.820 340 L CB 1.241 43.349 42.059 0.082 0.000 1.247 340 L HN 0.504 nan 8.230 nan 0.000 0.416 341 I N 4.403 125.040 120.570 0.112 0.000 2.466 341 I HA 0.422 4.591 4.170 -0.000 0.000 0.289 341 I C -2.310 173.912 176.117 0.175 0.000 1.026 341 I CA -1.863 59.544 61.300 0.177 0.000 1.078 341 I CB 1.900 40.031 38.000 0.218 0.000 1.249 341 I HN 0.303 nan 8.210 nan 0.000 0.429 342 P HA 0.035 nan 4.420 nan 0.000 0.267 342 P C 0.688 178.038 177.300 0.084 0.000 1.200 342 P CA -0.123 63.005 63.100 0.047 0.000 0.772 342 P CB 0.799 32.523 31.700 0.041 0.000 0.855 343 E N 2.459 122.612 120.200 -0.078 0.000 2.118 343 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 343 E C 1.367 178.037 176.600 0.116 0.000 0.992 343 E CA 1.093 57.439 56.400 -0.089 0.000 0.804 343 E CB -0.005 29.566 29.700 -0.216 0.000 0.741 343 E HN 0.495 nan 8.360 nan 0.000 0.458 344 E N 0.218 120.463 120.200 0.076 0.000 2.478 344 E HA -0.164 4.185 4.350 -0.000 0.000 0.198 344 E C 0.299 176.958 176.600 0.098 0.000 1.046 344 E CA 0.776 57.231 56.400 0.093 0.000 0.870 344 E CB 0.047 29.783 29.700 0.060 0.000 0.818 344 E HN 0.238 nan 8.360 nan 0.000 0.527 345 D N 1.271 121.737 120.400 0.110 0.000 2.342 345 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 345 D C 1.327 177.675 176.300 0.079 0.000 1.101 345 D CA 0.026 54.075 54.000 0.081 0.000 0.837 345 D CB 0.205 41.071 40.800 0.109 0.000 0.938 345 D HN 0.413 nan 8.370 nan 0.000 0.508 346 E N -0.067 120.144 120.200 0.019 0.000 2.086 346 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 346 E C 0.370 176.681 176.600 -0.482 0.000 1.012 346 E CA 1.138 57.344 56.400 -0.322 0.000 0.812 346 E CB -0.009 29.355 29.700 -0.561 0.000 0.743 346 E HN 0.260 nan 8.360 nan 0.000 0.453 347 F N -0.156 119.810 119.950 0.026 0.000 2.730 347 F HA 0.273 4.800 4.527 -0.000 0.000 0.295 347 F C 1.058 176.805 175.800 -0.087 0.000 1.143 347 F CA -0.193 57.795 58.000 -0.020 0.000 1.367 347 F CB 0.571 39.564 39.000 -0.011 0.000 0.970 347 F HN -0.172 nan 8.300 nan 0.000 0.514 348 K N -0.052 120.297 120.400 -0.085 0.000 2.387 348 K HA 0.183 4.503 4.320 -0.000 0.000 0.198 348 K C -0.332 175.894 176.600 -0.624 0.000 1.022 348 K CA 0.098 56.181 56.287 -0.339 0.000 1.128 348 K CB 0.300 32.537 32.500 -0.437 0.000 0.853 348 K HN 0.151 nan 8.250 nan 0.000 0.523 349 F N -0.153 119.649 119.950 -0.246 0.000 2.557 349 F HA 0.172 4.698 4.527 -0.000 0.000 0.336 349 F C 1.221 176.842 175.800 -0.297 0.000 1.058 349 F CA -0.973 56.788 58.000 -0.398 0.000 0.988 349 F CB 0.967 39.343 39.000 -1.040 0.000 1.275 349 F HN -0.176 nan 8.300 nan 0.000 0.488 350 D N 0.470 120.897 120.400 0.044 0.000 2.371 350 D HA -0.003 4.637 4.640 -0.000 0.000 0.221 350 D C -0.315 176.093 176.300 0.181 0.000 0.986 350 D CA 1.009 55.092 54.000 0.139 0.000 0.899 350 D CB -0.222 40.735 40.800 0.261 0.000 0.902 350 D HN 0.250 nan 8.370 nan 0.000 0.530 351 F N -1.234 118.798 119.950 0.136 0.000 2.611 351 F HA 0.463 4.989 4.527 -0.000 0.000 0.324 351 F C -0.130 175.655 175.800 -0.024 0.000 1.061 351 F CA -1.624 56.376 58.000 -0.001 0.000 0.954 351 F CB 0.934 39.884 39.000 -0.083 0.000 1.301 351 F HN -0.407 nan 8.300 nan 0.000 0.482 352 D N 1.850 122.251 120.400 0.002 0.000 2.308 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.251 352 D C 0.988 177.211 176.300 -0.128 0.000 1.127 352 D CA -0.044 53.903 54.000 -0.088 0.000 0.876 352 D CB 1.443 42.213 40.800 -0.051 0.000 1.176 352 D HN 0.759 nan 8.370 nan 0.000 0.446 353 L N 3.440 124.519 121.223 -0.239 0.000 2.265 353 L HA -0.136 4.203 4.340 -0.000 0.000 0.215 353 L C 1.978 178.704 176.870 -0.241 0.000 1.117 353 L CA 0.680 55.356 54.840 -0.275 0.000 0.782 353 L CB -0.128 41.617 42.059 -0.522 0.000 0.914 353 L HN 0.458 nan 8.230 nan 0.000 0.441 354 L N -0.904 120.205 121.223 -0.190 0.000 2.591 354 L HA 0.055 4.395 4.340 -0.000 0.000 0.228 354 L C 0.421 177.234 176.870 -0.096 0.000 1.133 354 L CA -0.112 54.687 54.840 -0.069 0.000 0.880 354 L CB -0.314 41.810 42.059 0.108 0.000 1.033 354 L HN 0.108 nan 8.230 nan 0.000 0.450 355 D N 1.653 121.771 120.400 -0.471 0.000 2.313 355 D HA 0.135 4.774 4.640 -0.000 0.000 0.239 355 D C -1.681 174.410 176.300 -0.349 0.000 1.142 355 D CA -2.325 51.166 54.000 -0.849 0.000 0.847 355 D CB 1.663 41.662 40.800 -1.335 0.000 1.082 355 D HN -0.100 nan 8.370 nan 0.000 0.480 356 P HA -0.011 nan 4.420 nan 0.000 0.245 356 P C 0.820 178.032 177.300 -0.146 0.000 1.212 356 P CA 0.533 63.570 63.100 -0.106 0.000 0.774 356 P CB -0.046 31.669 31.700 0.026 0.000 0.999 357 T N -4.534 109.923 114.554 -0.161 0.000 3.086 357 T HA 0.165 4.515 4.350 -0.000 0.000 0.250 357 T C 0.714 175.333 174.700 -0.135 0.000 1.074 357 T CA -0.079 61.939 62.100 -0.137 0.000 0.988 357 T CB -0.147 68.686 68.868 -0.059 0.000 0.988 357 T HN -0.154 nan 8.240 nan 0.000 0.530 358 K N 2.081 122.315 120.400 -0.277 0.000 2.221 358 K HA 0.584 4.904 4.320 -0.000 0.000 0.258 358 K C -0.387 176.049 176.600 -0.272 0.000 0.944 358 K CA -0.860 55.156 56.287 -0.452 0.000 0.823 358 K CB 2.227 34.348 32.500 -0.632 0.000 1.113 358 K HN 0.290 nan 8.250 nan 0.000 0.431 359 L N -0.370 120.819 121.223 -0.057 0.000 2.358 359 L HA 0.664 5.004 4.340 -0.000 0.000 0.268 359 L C -0.062 176.624 176.870 -0.305 0.000 1.032 359 L CA -0.495 54.255 54.840 -0.149 0.000 0.805 359 L CB 0.352 42.388 42.059 -0.037 0.000 1.253 359 L HN 0.452 nan 8.230 nan 0.000 0.452 360 I N 1.383 121.864 120.570 -0.148 0.000 2.330 360 I HA 0.370 4.540 4.170 -0.000 0.000 0.286 360 I C -2.124 174.007 176.117 0.022 0.000 1.025 360 I CA -1.738 59.525 61.300 -0.062 0.000 1.197 360 I CB 1.130 39.127 38.000 -0.004 0.000 1.358 360 I HN 0.450 nan 8.210 nan 0.000 0.467 361 P HA -0.030 nan 4.420 nan 0.000 0.261 361 P C 0.364 177.730 177.300 0.109 0.000 1.173 361 P CA 0.268 63.410 63.100 0.069 0.000 0.760 361 P CB 0.556 32.295 31.700 0.065 0.000 0.783 362 E N 1.866 122.137 120.200 0.119 0.000 2.268 362 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 362 E C 1.376 178.031 176.600 0.091 0.000 0.995 362 E CA 0.733 57.194 56.400 0.101 0.000 0.836 362 E CB 0.001 29.763 29.700 0.103 0.000 0.763 362 E HN 0.521 nan 8.360 nan 0.000 0.491 363 E N 0.344 120.599 120.200 0.091 0.000 2.204 363 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 363 E C 2.048 178.711 176.600 0.106 0.000 0.989 363 E CA 0.708 57.158 56.400 0.084 0.000 0.824 363 E CB 0.111 29.854 29.700 0.071 0.000 0.756 363 E HN 0.370 nan 8.360 nan 0.000 0.477 364 L N -0.312 120.998 121.223 0.145 0.000 2.168 364 L HA 0.048 4.387 4.340 -0.000 0.000 0.203 364 L C 0.644 177.635 176.870 0.202 0.000 1.078 364 L CA 0.432 55.394 54.840 0.204 0.000 0.780 364 L CB 0.412 42.669 42.059 0.331 0.000 0.939 364 L HN -0.203 nan 8.230 nan 0.000 0.451 365 V N 0.819 120.831 119.914 0.162 0.000 2.445 365 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 365 V C -2.471 173.672 176.094 0.082 0.000 1.014 365 V CA -1.469 60.910 62.300 0.131 0.000 0.852 365 V CB 1.284 33.180 31.823 0.122 0.000 1.021 365 V HN -0.059 nan 8.190 nan 0.000 0.435 366 P HA 0.188 nan 4.420 nan 0.000 0.272 366 P C -0.249 177.052 177.300 0.001 0.000 1.223 366 P CA -0.067 63.054 63.100 0.035 0.000 0.784 366 P CB 0.870 32.594 31.700 0.041 0.000 0.923 367 V N 3.173 123.055 119.914 -0.053 0.000 2.427 367 V HA 0.088 4.207 4.120 -0.000 0.000 0.268 367 V C 0.772 176.854 176.094 -0.021 0.000 1.046 367 V CA 0.034 62.265 62.300 -0.115 0.000 0.970 367 V CB 0.118 31.790 31.823 -0.251 0.000 1.001 367 V HN 0.534 nan 8.190 nan 0.000 0.476 368 Q N 6.408 126.217 119.800 0.016 0.000 2.279 368 Q HA 0.315 4.655 4.340 -0.000 0.000 0.256 368 Q C 0.419 176.416 176.000 -0.004 0.000 0.937 368 Q CA -0.769 55.048 55.803 0.023 0.000 0.933 368 Q CB 0.745 29.509 28.738 0.043 0.000 1.189 368 Q HN 0.816 nan 8.270 nan 0.000 0.417 369 R N 2.457 122.980 120.500 0.039 0.000 2.491 369 R HA 0.104 4.443 4.340 -0.000 0.000 0.283 369 R C -0.624 175.709 176.300 0.055 0.000 1.072 369 R CA -0.284 55.879 56.100 0.104 0.000 1.048 369 R CB 0.756 31.189 30.300 0.222 0.000 0.983 369 R HN 0.524 nan 8.270 nan 0.000 0.450 370 V N 1.924 121.782 119.914 -0.094 0.000 3.090 370 V HA 0.331 4.451 4.120 -0.000 0.000 0.237 370 V C 0.878 176.737 176.094 -0.392 0.000 1.209 370 V CA 1.156 63.281 62.300 -0.291 0.000 1.209 370 V CB 0.704 32.105 31.823 -0.703 0.000 0.971 370 V HN 1.061 nan 8.190 nan 0.000 0.477 371 G N -0.378 108.082 108.800 -0.566 0.000 2.488 371 G HA2 0.488 4.448 3.960 -0.000 0.000 0.301 371 G HA3 0.488 4.448 3.960 -0.000 0.000 0.301 371 G C -1.839 172.692 174.900 -0.616 0.000 1.339 371 G CA -0.545 43.906 45.100 -1.082 0.000 0.803 371 G HN 0.062 nan 8.290 nan 0.000 0.482 372 K N -0.380 119.683 120.400 -0.562 0.000 2.316 372 K HA 0.740 5.060 4.320 -0.000 0.000 0.251 372 K C -0.735 175.905 176.600 0.067 0.000 0.934 372 K CA -0.778 55.484 56.287 -0.041 0.000 0.802 372 K CB 1.999 34.528 32.500 0.047 0.000 1.171 372 K HN 0.578 nan 8.250 nan 0.000 0.426 373 M N 4.508 124.278 119.600 0.284 0.000 2.383 373 M HA 0.422 4.902 4.480 -0.000 0.000 0.325 373 M C -1.740 174.537 176.300 -0.038 0.000 1.092 373 M CA -0.779 54.629 55.300 0.180 0.000 0.961 373 M CB 1.713 34.466 32.600 0.255 0.000 1.672 373 M HN 0.364 nan 8.290 nan 0.000 0.438 374 V N 5.431 125.155 119.914 -0.317 0.000 2.588 374 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 374 V C -0.974 174.985 176.094 -0.224 0.000 1.042 374 V CA -0.870 61.264 62.300 -0.277 0.000 0.877 374 V CB 1.822 33.374 31.823 -0.452 0.000 0.996 374 V HN 0.665 nan 8.190 nan 0.000 0.425 375 L N 5.789 126.962 121.223 -0.083 0.000 2.255 375 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 375 L C 0.677 177.442 176.870 -0.175 0.000 1.046 375 L CA 0.177 54.971 54.840 -0.078 0.000 0.816 375 L CB 0.863 42.933 42.059 0.018 0.000 1.197 375 L HN 0.893 nan 8.230 nan 0.000 0.427 376 N N 2.099 120.624 118.700 -0.292 0.000 2.184 376 N HA 0.142 4.882 4.740 -0.000 0.000 0.234 376 N C 0.020 175.344 175.510 -0.310 0.000 1.282 376 N CA -0.263 52.385 53.050 -0.669 0.000 0.877 376 N CB 0.779 38.536 38.487 -1.216 0.000 1.184 376 N HN 0.349 nan 8.380 nan 0.000 0.510 377 R N 0.402 120.822 120.500 -0.132 0.000 2.548 377 R HA 0.327 4.666 4.340 -0.000 0.000 0.280 377 R C -1.221 175.027 176.300 -0.086 0.000 1.061 377 R CA -0.542 55.502 56.100 -0.092 0.000 0.915 377 R CB 1.461 31.719 30.300 -0.070 0.000 1.210 377 R HN 0.074 nan 8.270 nan 0.000 0.442 378 N N 3.254 121.787 118.700 -0.277 0.000 2.467 378 N HA 0.299 5.038 4.740 -0.000 0.000 0.262 378 N C -2.206 173.237 175.510 -0.111 0.000 1.234 378 N CA -1.229 51.516 53.050 -0.508 0.000 0.952 378 N CB 0.661 38.233 38.487 -1.524 0.000 1.158 378 N HN 0.298 nan 8.380 nan 0.000 0.463 379 P HA 0.119 nan 4.420 nan 0.000 0.274 379 P C 0.005 177.482 177.300 0.296 0.000 1.260 379 P CA -0.103 63.194 63.100 0.329 0.000 0.793 379 P CB 1.141 33.076 31.700 0.391 0.000 1.048 380 D N -1.158 119.390 120.400 0.246 0.000 2.201 380 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 380 D C 0.487 176.957 176.300 0.284 0.000 0.961 380 D CA 1.328 55.469 54.000 0.234 0.000 0.861 380 D CB 0.211 41.091 40.800 0.134 0.000 0.997 380 D HN 0.394 nan 8.370 nan 0.000 0.486 381 N N -0.168 118.694 118.700 0.270 0.000 2.461 381 N HA 0.006 4.745 4.740 -0.000 0.000 0.284 381 N C 0.052 175.765 175.510 0.339 0.000 1.049 381 N CA -0.334 52.885 53.050 0.283 0.000 0.889 381 N CB 1.492 40.113 38.487 0.224 0.000 1.365 381 N HN -0.163 nan 8.380 nan 0.000 0.499 382 F N 4.302 124.398 119.950 0.244 0.000 2.095 382 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 382 F C 1.667 177.598 175.800 0.218 0.000 1.104 382 F CA 1.572 59.717 58.000 0.242 0.000 1.232 382 F CB -0.095 39.019 39.000 0.189 0.000 0.987 382 F HN 0.606 nan 8.300 nan 0.000 0.475 383 F N 0.839 121.019 119.950 0.383 0.000 2.075 383 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 383 F C 2.310 178.169 175.800 0.098 0.000 1.113 383 F CA 1.818 59.967 58.000 0.248 0.000 1.218 383 F CB -0.968 38.153 39.000 0.201 0.000 0.984 383 F HN -0.019 nan 8.300 nan 0.000 0.472 384 A N -0.398 122.554 122.820 0.220 0.000 1.930 384 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 384 A C 2.055 179.576 177.584 -0.105 0.000 1.175 384 A CA 1.984 54.056 52.037 0.059 0.000 0.627 384 A CB -0.642 18.453 19.000 0.158 0.000 0.815 384 A HN 0.607 nan 8.150 nan 0.000 0.443 385 E N -1.425 118.732 120.200 -0.073 0.000 2.206 385 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 385 E C 1.912 178.430 176.600 -0.135 0.000 0.935 385 E CA 0.386 56.685 56.400 -0.169 0.000 0.875 385 E CB -0.076 29.581 29.700 -0.072 0.000 0.841 385 E HN 0.558 nan 8.360 nan 0.000 0.477 386 N N 1.356 119.963 118.700 -0.156 0.000 2.182 386 N HA -0.153 4.586 4.740 -0.000 0.000 0.186 386 N C 1.817 177.167 175.510 -0.266 0.000 1.036 386 N CA 1.317 54.221 53.050 -0.243 0.000 0.850 386 N CB 0.084 38.031 38.487 -0.899 0.000 1.010 386 N HN -0.069 nan 8.380 nan 0.000 0.432 387 E N 0.848 120.830 120.200 -0.363 0.000 2.118 387 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 387 E C 1.729 178.149 176.600 -0.299 0.000 0.992 387 E CA 1.460 57.716 56.400 -0.239 0.000 0.804 387 E CB -0.151 29.431 29.700 -0.196 0.000 0.741 387 E HN 0.488 nan 8.360 nan 0.000 0.458 388 Q N -0.298 119.250 119.800 -0.420 0.000 2.451 388 Q HA 0.203 4.543 4.340 -0.000 0.000 0.206 388 Q C 0.129 176.010 176.000 -0.199 0.000 0.947 388 Q CA 0.268 55.877 55.803 -0.324 0.000 0.937 388 Q CB 0.324 28.844 28.738 -0.362 0.000 1.025 388 Q HN 0.227 nan 8.270 nan 0.000 0.511 389 A N 1.129 123.852 122.820 -0.163 0.000 2.498 389 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 389 A C -0.162 177.315 177.584 -0.179 0.000 1.068 389 A CA 0.233 52.148 52.037 -0.203 0.000 0.766 389 A CB 0.266 19.202 19.000 -0.106 0.000 1.003 389 A HN 0.264 nan 8.150 nan 0.000 0.497 390 A N 2.104 124.761 122.820 -0.273 0.000 2.332 390 A HA 0.696 5.016 4.320 -0.000 0.000 0.300 390 A C -0.800 176.682 177.584 -0.171 0.000 1.153 390 A CA -0.421 51.529 52.037 -0.145 0.000 0.764 390 A CB 0.359 19.269 19.000 -0.151 0.000 1.174 390 A HN 0.643 nan 8.150 nan 0.000 0.467 391 F N 1.037 120.994 119.950 0.013 0.000 2.458 391 F HA 0.671 5.198 4.527 -0.000 0.000 0.330 391 F C 0.348 176.114 175.800 -0.057 0.000 1.082 391 F CA -0.122 57.863 58.000 -0.024 0.000 0.995 391 F CB 1.979 40.914 39.000 -0.108 0.000 1.170 391 F HN 0.765 nan 8.300 nan 0.000 0.478 392 H N 3.116 122.034 119.070 -0.255 0.000 3.087 392 H HA 0.280 4.836 4.556 -0.000 0.000 0.348 392 H C -2.489 172.449 175.328 -0.651 0.000 1.092 392 H CA -1.775 53.850 56.048 -0.706 0.000 1.285 392 H CB 2.721 31.997 29.762 -0.811 0.000 1.875 392 H HN 0.183 nan 8.280 nan 0.000 0.512 393 P HA -0.027 nan 4.420 nan 0.000 0.226 393 P C 1.222 178.379 177.300 -0.238 0.000 1.153 393 P CA 1.414 64.212 63.100 -0.503 0.000 0.777 393 P CB 0.092 31.568 31.700 -0.374 0.000 0.794 394 G N -0.602 107.821 108.800 -0.627 0.000 2.471 394 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 394 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 394 G C 0.563 175.655 174.900 0.320 0.000 1.125 394 G CA 0.102 45.201 45.100 -0.003 0.000 0.775 394 G HN 0.440 nan 8.290 nan 0.000 0.548 395 H N 0.913 120.095 119.070 0.188 0.000 3.392 395 H HA 0.308 4.864 4.556 -0.000 0.000 0.253 395 H C 0.657 176.081 175.328 0.159 0.000 1.682 395 H CA -0.791 55.339 56.048 0.137 0.000 1.535 395 H CB -0.342 29.472 29.762 0.086 0.000 1.823 395 H HN 0.403 nan 8.280 nan 0.000 0.576 396 I N -0.745 119.938 120.570 0.188 0.000 3.205 396 I HA 0.652 4.822 4.170 -0.000 0.000 0.310 396 I C -0.016 176.069 176.117 -0.053 0.000 1.089 396 I CA -1.411 59.908 61.300 0.032 0.000 1.023 396 I CB 1.752 39.666 38.000 -0.145 0.000 1.269 396 I HN 0.086 nan 8.210 nan 0.000 0.512 397 V N -2.173 117.691 119.914 -0.084 0.000 3.102 397 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 397 V C -2.830 173.345 176.094 0.135 0.000 1.135 397 V CA -2.588 59.727 62.300 0.025 0.000 1.022 397 V CB 0.980 32.808 31.823 0.009 0.000 1.056 397 V HN 0.644 nan 8.190 nan 0.000 0.436 398 P HA 0.326 nan 4.420 nan 0.000 0.260 398 P C 0.915 178.220 177.300 0.009 0.000 1.172 398 P CA 1.964 65.147 63.100 0.138 0.000 0.760 398 P CB 0.443 32.203 31.700 0.101 0.000 0.773 399 G N 1.867 110.628 108.800 -0.066 0.000 2.231 399 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.206 399 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.206 399 G C -0.280 174.535 174.900 -0.142 0.000 0.996 399 G CA -0.444 44.593 45.100 -0.105 0.000 0.645 399 G HN 0.455 nan 8.290 nan 0.000 0.498 400 L N 0.068 121.214 121.223 -0.128 0.000 2.323 400 L HA 0.931 5.271 4.340 -0.000 0.000 0.265 400 L C -0.693 176.110 176.870 -0.112 0.000 1.012 400 L CA -1.073 53.666 54.840 -0.167 0.000 0.820 400 L CB 2.179 44.059 42.059 -0.297 0.000 1.334 400 L HN 0.082 nan 8.230 nan 0.000 0.427 401 D N -0.510 119.806 120.400 -0.141 0.000 2.653 401 D HA 0.430 5.070 4.640 -0.000 0.000 0.258 401 D C -1.211 175.021 176.300 -0.114 0.000 1.252 401 D CA -0.361 53.519 54.000 -0.200 0.000 0.777 401 D CB 1.909 42.666 40.800 -0.073 0.000 1.339 401 D HN 0.130 nan 8.370 nan 0.000 0.422 402 F N -0.105 119.981 119.950 0.226 0.000 2.291 402 F HA 0.519 5.046 4.527 -0.000 0.000 0.305 402 F C 1.588 177.418 175.800 0.052 0.000 1.171 402 F CA -0.184 57.887 58.000 0.119 0.000 1.090 402 F CB 0.947 39.985 39.000 0.063 0.000 1.436 402 F HN 0.219 nan 8.300 nan 0.000 0.509 403 T N -3.272 111.386 114.554 0.173 0.000 2.831 403 T HA 0.304 4.654 4.350 -0.000 0.000 0.287 403 T C -0.051 174.682 174.700 0.055 0.000 1.070 403 T CA -0.990 61.184 62.100 0.124 0.000 1.010 403 T CB 1.200 70.113 68.868 0.075 0.000 1.264 403 T HN 0.342 nan 8.240 nan 0.000 0.532 404 N N 1.118 119.854 118.700 0.059 0.000 2.449 404 N HA 0.049 4.789 4.740 -0.000 0.000 0.191 404 N C 0.082 175.595 175.510 0.005 0.000 1.161 404 N CA 0.100 53.167 53.050 0.028 0.000 0.863 404 N CB -0.435 38.086 38.487 0.056 0.000 0.980 404 N HN 0.693 nan 8.380 nan 0.000 0.458 405 D N 2.278 122.668 120.400 -0.017 0.000 2.662 405 D HA -0.091 4.549 4.640 -0.000 0.000 0.233 405 D C -1.377 174.910 176.300 -0.022 0.000 1.129 405 D CA -0.803 53.210 54.000 0.022 0.000 0.851 405 D CB 1.245 42.002 40.800 -0.072 0.000 1.152 405 D HN 0.156 nan 8.370 nan 0.000 0.507 406 P HA -0.090 nan 4.420 nan 0.000 0.233 406 P C 1.445 178.753 177.300 0.013 0.000 1.167 406 P CA 0.120 63.225 63.100 0.008 0.000 0.770 406 P CB 0.408 32.100 31.700 -0.013 0.000 0.837 407 L N -0.359 120.889 121.223 0.042 0.000 2.145 407 L HA 0.058 4.398 4.340 -0.000 0.000 0.201 407 L C 2.325 179.117 176.870 -0.130 0.000 1.075 407 L CA 1.171 56.038 54.840 0.045 0.000 0.773 407 L CB -1.500 40.675 42.059 0.194 0.000 0.936 407 L HN -0.176 nan 8.230 nan 0.000 0.451 408 L N -0.532 120.445 121.223 -0.409 0.000 2.046 408 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 408 L C 2.443 179.068 176.870 -0.409 0.000 1.077 408 L CA 1.739 56.134 54.840 -0.742 0.000 0.747 408 L CB -0.908 40.472 42.059 -1.132 0.000 0.896 408 L HN 0.350 nan 8.230 nan 0.000 0.432 409 Q N -0.077 119.550 119.800 -0.287 0.000 2.077 409 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 409 Q C 2.085 178.003 176.000 -0.137 0.000 0.989 409 Q CA 1.925 57.603 55.803 -0.209 0.000 0.853 409 Q CB -0.842 27.823 28.738 -0.122 0.000 0.907 409 Q HN 0.706 nan 8.270 nan 0.000 0.418 410 G N 0.278 109.027 108.800 -0.085 0.000 2.430 410 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 410 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 410 G C 1.515 176.430 174.900 0.026 0.000 1.146 410 G CA 0.163 45.257 45.100 -0.010 0.000 0.793 410 G HN 0.240 nan 8.290 nan 0.000 0.537 411 R N -0.031 120.437 120.500 -0.053 0.000 2.103 411 R HA -0.041 4.299 4.340 -0.000 0.000 0.242 411 R C 2.528 178.901 176.300 0.122 0.000 1.142 411 R CA 1.110 57.231 56.100 0.035 0.000 0.960 411 R CB -0.555 29.734 30.300 -0.018 0.000 0.858 411 R HN 0.339 nan 8.270 nan 0.000 0.439 412 L N -0.434 120.761 121.223 -0.046 0.000 2.129 412 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 412 L C 2.326 179.341 176.870 0.241 0.000 1.087 412 L CA 1.317 56.139 54.840 -0.030 0.000 0.757 412 L CB -0.486 41.416 42.059 -0.262 0.000 0.896 412 L HN 0.184 nan 8.230 nan 0.000 0.434 413 F N 0.059 120.049 119.950 0.068 0.000 2.187 413 F HA -0.166 4.360 4.527 -0.000 0.000 0.295 413 F C 2.817 178.674 175.800 0.095 0.000 1.091 413 F CA 1.493 59.533 58.000 0.066 0.000 1.308 413 F CB -0.259 38.755 39.000 0.023 0.000 1.030 413 F HN -0.045 nan 8.300 nan 0.000 0.487 414 S N -0.467 115.321 115.700 0.146 0.000 2.356 414 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 414 S C 2.044 176.573 174.600 -0.118 0.000 1.032 414 S CA 1.626 59.788 58.200 -0.063 0.000 1.005 414 S CB -0.905 62.261 63.200 -0.057 0.000 0.867 414 S HN 0.576 nan 8.310 nan 0.000 0.449 415 Y N 1.215 121.532 120.300 0.028 0.000 2.509 415 Y HA 0.014 4.564 4.550 -0.000 0.000 0.293 415 Y C 2.788 178.388 175.900 -0.500 0.000 1.133 415 Y CA 0.758 58.828 58.100 -0.050 0.000 1.283 415 Y CB -0.617 38.107 38.460 0.440 0.000 1.001 415 Y HN 0.263 nan 8.280 nan 0.000 0.555 416 T N -0.575 113.660 114.554 -0.531 0.000 2.809 416 T HA -0.160 4.189 4.350 -0.000 0.000 0.260 416 T C 1.384 175.895 174.700 -0.314 0.000 1.039 416 T CA 1.436 63.297 62.100 -0.399 0.000 1.141 416 T CB -0.383 68.310 68.868 -0.291 0.000 0.869 416 T HN 0.317 nan 8.240 nan 0.000 0.437 417 D N 0.922 121.076 120.400 -0.409 0.000 2.106 417 D HA -0.147 4.493 4.640 -0.000 0.000 0.191 417 D C 2.257 178.409 176.300 -0.246 0.000 0.997 417 D CA 1.738 55.509 54.000 -0.381 0.000 0.834 417 D CB -0.529 39.877 40.800 -0.656 0.000 0.956 417 D HN 0.241 nan 8.370 nan 0.000 0.448 418 T N -1.213 113.197 114.554 -0.241 0.000 2.881 418 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 418 T C 1.647 176.232 174.700 -0.192 0.000 1.068 418 T CA 1.412 63.406 62.100 -0.177 0.000 1.131 418 T CB -0.198 68.567 68.868 -0.172 0.000 0.871 418 T HN 0.170 nan 8.240 nan 0.000 0.479 419 Q N 0.090 119.707 119.800 -0.304 0.000 2.435 419 Q HA 0.144 4.484 4.340 -0.000 0.000 0.207 419 Q C 1.972 177.868 176.000 -0.174 0.000 0.956 419 Q CA 0.412 56.001 55.803 -0.356 0.000 0.917 419 Q CB -0.049 28.212 28.738 -0.794 0.000 0.997 419 Q HN 0.457 nan 8.270 nan 0.000 0.497 420 I N 0.047 120.560 120.570 -0.095 0.000 2.286 420 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 420 I C 2.128 178.242 176.117 -0.006 0.000 1.115 420 I CA 1.744 63.041 61.300 -0.005 0.000 1.392 420 I CB -1.380 36.621 38.000 0.002 0.000 1.065 420 I HN 0.255 nan 8.210 nan 0.000 0.418 421 S N 0.212 115.895 115.700 -0.027 0.000 2.427 421 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 421 S C 2.163 176.754 174.600 -0.015 0.000 1.047 421 S CA 0.074 58.268 58.200 -0.010 0.000 0.953 421 S CB -0.283 62.914 63.200 -0.005 0.000 0.824 421 S HN 0.294 nan 8.310 nan 0.000 0.502 422 R N 0.998 121.473 120.500 -0.043 0.000 2.073 422 R HA 0.141 4.481 4.340 -0.000 0.000 0.234 422 R C 1.254 177.534 176.300 -0.033 0.000 1.134 422 R CA 1.530 57.606 56.100 -0.040 0.000 0.952 422 R CB -0.280 29.977 30.300 -0.072 0.000 0.850 422 R HN 0.456 nan 8.270 nan 0.000 0.433 423 L N -0.482 120.711 121.223 -0.050 0.000 2.965 423 L HA 0.333 4.673 4.340 -0.000 0.000 0.254 423 L C 0.776 177.661 176.870 0.026 0.000 1.220 423 L CA 0.227 55.055 54.840 -0.020 0.000 1.023 423 L CB 1.097 43.136 42.059 -0.034 0.000 1.355 423 L HN 0.594 nan 8.230 nan 0.000 0.545 424 G N 0.014 108.829 108.800 0.025 0.000 2.168 424 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.263 424 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.263 424 G C 0.478 175.416 174.900 0.063 0.000 0.977 424 G CA 0.157 45.280 45.100 0.039 0.000 0.659 424 G HN 0.789 nan 8.290 nan 0.000 0.533 425 G N -1.768 107.089 108.800 0.095 0.000 2.343 425 G HA2 0.602 4.561 3.960 -0.000 0.000 0.289 425 G HA3 0.602 4.561 3.960 -0.000 0.000 0.289 425 G C -2.263 172.763 174.900 0.210 0.000 1.295 425 G CA 0.374 45.544 45.100 0.116 0.000 0.869 425 G HN 0.450 nan 8.290 nan 0.000 0.522 426 P HA 0.143 nan 4.420 nan 0.000 0.255 426 P C 0.231 177.550 177.300 0.032 0.000 1.248 426 P CA 0.317 63.512 63.100 0.158 0.000 0.807 426 P CB 0.266 32.021 31.700 0.092 0.000 1.150 427 N N 0.383 119.102 118.700 0.031 0.000 2.295 427 N HA 0.064 4.804 4.740 -0.000 0.000 0.221 427 N C 1.059 176.439 175.510 -0.217 0.000 1.129 427 N CA -0.195 52.782 53.050 -0.121 0.000 0.836 427 N CB -0.605 37.837 38.487 -0.076 0.000 1.040 427 N HN 0.250 nan 8.380 nan 0.000 0.494 428 F N 0.934 120.865 119.950 -0.032 0.000 2.408 428 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 428 F C 2.168 177.908 175.800 -0.101 0.000 1.090 428 F CA 0.843 58.800 58.000 -0.073 0.000 1.427 428 F CB -0.742 38.233 39.000 -0.042 0.000 1.070 428 F HN 0.167 nan 8.300 nan 0.000 0.549 429 H N 0.353 119.052 119.070 -0.618 0.000 2.546 429 H HA 0.070 4.625 4.556 -0.000 0.000 0.277 429 H C 0.902 176.067 175.328 -0.270 0.000 1.004 429 H CA 1.288 57.068 56.048 -0.447 0.000 1.231 429 H CB -0.755 28.611 29.762 -0.659 0.000 1.382 429 H HN 0.535 nan 8.280 nan 0.000 0.580 430 E N 0.929 120.699 120.200 -0.715 0.000 2.442 430 E HA 0.169 4.519 4.350 -0.000 0.000 0.195 430 E C 0.348 176.830 176.600 -0.196 0.000 1.030 430 E CA -0.245 55.898 56.400 -0.428 0.000 0.869 430 E CB 0.502 29.973 29.700 -0.382 0.000 0.857 430 E HN 0.429 nan 8.360 nan 0.000 0.505 431 I N 2.775 123.253 120.570 -0.153 0.000 2.598 431 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 431 I C -1.554 174.500 176.117 -0.104 0.000 1.140 431 I CA -1.528 59.709 61.300 -0.104 0.000 1.420 431 I CB 0.572 38.522 38.000 -0.083 0.000 1.387 431 I HN -0.184 nan 8.210 nan 0.000 0.553 432 P HA -0.270 nan 4.420 nan 0.000 0.217 432 P C 1.714 178.938 177.300 -0.126 0.000 1.162 432 P CA 1.418 64.460 63.100 -0.097 0.000 0.901 432 P CB 0.155 31.807 31.700 -0.080 0.000 0.793 433 I N -1.054 119.413 120.570 -0.172 0.000 2.454 433 I HA -0.175 3.995 4.170 -0.000 0.000 0.254 433 I C 1.336 177.362 176.117 -0.152 0.000 1.156 433 I CA 1.653 62.800 61.300 -0.256 0.000 1.433 433 I CB -0.605 37.132 38.000 -0.440 0.000 1.082 433 I HN -0.114 nan 8.210 nan 0.000 0.432 434 N N 0.595 119.227 118.700 -0.113 0.000 2.422 434 N HA 0.045 4.785 4.740 -0.000 0.000 0.181 434 N C 0.315 175.822 175.510 -0.005 0.000 1.080 434 N CA 0.210 53.222 53.050 -0.064 0.000 0.893 434 N CB -0.095 38.376 38.487 -0.028 0.000 0.973 434 N HN 0.344 nan 8.380 nan 0.000 0.456 435 R N 1.706 122.201 120.500 -0.009 0.000 2.522 435 R HA 0.119 4.459 4.340 -0.000 0.000 0.284 435 R C -2.197 174.154 176.300 0.086 0.000 1.032 435 R CA -1.147 54.952 56.100 -0.002 0.000 1.049 435 R CB -0.031 30.253 30.300 -0.027 0.000 0.956 435 R HN 0.036 nan 8.270 nan 0.000 0.422 436 P HA -0.037 nan 4.420 nan 0.000 0.268 436 P C 0.538 177.905 177.300 0.111 0.000 1.208 436 P CA 0.172 63.340 63.100 0.114 0.000 0.777 436 P CB 0.649 32.378 31.700 0.048 0.000 0.875 437 T N -2.846 111.787 114.554 0.131 0.000 3.044 437 T HA 0.082 4.432 4.350 -0.000 0.000 0.250 437 T C 0.874 175.616 174.700 0.070 0.000 1.081 437 T CA -0.008 62.128 62.100 0.060 0.000 1.040 437 T CB -0.948 67.940 68.868 0.033 0.000 0.962 437 T HN 0.582 nan 8.240 nan 0.000 0.506 438 C N 1.287 120.643 119.300 0.094 0.000 2.347 438 C HA 0.787 5.247 4.460 -0.000 0.000 0.366 438 C C -2.509 172.536 174.990 0.092 0.000 1.241 438 C CA -2.518 56.553 59.018 0.088 0.000 2.360 438 C CB 0.172 27.970 27.740 0.096 0.000 2.290 438 C HN 0.153 nan 8.230 nan 0.000 0.587 439 P HA 0.294 nan 4.420 nan 0.000 0.268 439 P C -1.230 176.132 177.300 0.104 0.000 1.205 439 P CA 0.483 63.645 63.100 0.103 0.000 0.771 439 P CB -0.041 31.765 31.700 0.177 0.000 0.858 440 Y N 0.877 121.059 120.300 -0.198 0.000 2.361 440 Y HA 0.626 5.176 4.550 -0.000 0.000 0.328 440 Y C -1.519 174.084 175.900 -0.495 0.000 1.044 440 Y CA -0.895 57.080 58.100 -0.209 0.000 1.085 440 Y CB 1.240 39.600 38.460 -0.167 0.000 1.194 440 Y HN 0.429 nan 8.280 nan 0.000 0.438 441 H N 4.154 123.067 119.070 -0.262 0.000 2.877 441 H HA 0.546 5.101 4.556 -0.000 0.000 0.347 441 H C -1.090 174.091 175.328 -0.245 0.000 1.042 441 H CA -0.716 55.117 56.048 -0.357 0.000 1.276 441 H CB 1.620 31.225 29.762 -0.261 0.000 1.681 441 H HN 0.889 nan 8.280 nan 0.000 0.521 442 N N 0.553 119.125 118.700 -0.214 0.000 3.449 442 N HA 0.192 4.932 4.740 -0.000 0.000 0.312 442 N C -1.128 174.135 175.510 -0.413 0.000 1.582 442 N CA -0.931 51.958 53.050 -0.268 0.000 0.850 442 N CB 0.676 39.160 38.487 -0.005 0.000 1.822 442 N HN 0.294 nan 8.380 nan 0.000 0.577 443 F N -0.291 119.696 119.950 0.062 0.000 2.641 443 F HA 0.362 4.889 4.527 -0.000 0.000 0.302 443 F C 0.383 176.222 175.800 0.066 0.000 1.098 443 F CA -0.383 57.651 58.000 0.056 0.000 1.318 443 F CB 0.193 39.222 39.000 0.047 0.000 1.035 443 F HN 0.116 nan 8.300 nan 0.000 0.551 444 Q N 1.555 121.461 119.800 0.175 0.000 2.327 444 Q HA 0.425 4.764 4.340 -0.000 0.000 0.254 444 Q C 0.074 176.148 176.000 0.124 0.000 0.952 444 Q CA -0.110 55.775 55.803 0.138 0.000 0.884 444 Q CB 1.161 29.957 28.738 0.096 0.000 1.224 444 Q HN 0.110 nan 8.270 nan 0.000 0.422 445 R N 1.510 122.076 120.500 0.110 0.000 2.855 445 R HA 0.374 4.714 4.340 -0.000 0.000 0.266 445 R C -0.683 175.663 176.300 0.077 0.000 1.034 445 R CA -0.656 55.500 56.100 0.094 0.000 0.944 445 R CB 1.148 31.506 30.300 0.096 0.000 1.219 445 R HN 0.718 nan 8.270 nan 0.000 0.474 446 D N -0.389 120.048 120.400 0.063 0.000 3.605 446 D HA -0.134 4.506 4.640 -0.000 0.000 0.258 446 D C 0.345 176.676 176.300 0.053 0.000 1.916 446 D CA 1.963 55.993 54.000 0.050 0.000 1.155 446 D CB -0.968 39.860 40.800 0.047 0.000 0.854 446 D HN 0.891 nan 8.370 nan 0.000 1.047 447 G N -1.703 107.126 108.800 0.048 0.000 2.663 447 G HA2 0.275 4.235 3.960 -0.000 0.000 0.686 447 G HA3 0.275 4.235 3.960 -0.000 0.000 0.686 447 G C -0.413 174.518 174.900 0.053 0.000 1.246 447 G CA -0.043 45.090 45.100 0.054 0.000 0.795 447 G HN 0.778 nan 8.290 nan 0.000 0.627 448 M N 1.048 120.686 119.600 0.063 0.000 2.249 448 M HA 0.501 4.981 4.480 -0.000 0.000 0.340 448 M C 1.065 177.442 176.300 0.129 0.000 1.166 448 M CA 1.065 56.412 55.300 0.078 0.000 1.115 448 M CB -0.525 32.122 32.600 0.079 0.000 1.606 448 M HN 1.534 nan 8.290 nan 0.000 0.448 449 H N 0.959 120.032 119.070 0.005 0.000 2.604 449 H HA -0.193 4.363 4.556 -0.000 0.000 0.321 449 H C -0.705 174.614 175.328 -0.016 0.000 1.132 449 H CA 0.764 56.811 56.048 -0.002 0.000 1.129 449 H CB -0.634 29.129 29.762 0.002 0.000 1.526 449 H HN 0.622 nan 8.280 nan 0.000 0.415 450 R N 1.619 122.128 120.500 0.015 0.000 2.370 450 R HA 0.070 4.410 4.340 -0.000 0.000 0.309 450 R C 0.942 177.230 176.300 -0.020 0.000 1.059 450 R CA -0.003 56.102 56.100 0.008 0.000 0.981 450 R CB 0.292 30.597 30.300 0.008 0.000 0.972 450 R HN 0.391 nan 8.270 nan 0.000 0.437 451 M N 2.609 122.212 119.600 0.005 0.000 2.412 451 M HA 0.208 4.688 4.480 -0.000 0.000 0.263 451 M C 0.998 177.291 176.300 -0.011 0.000 1.122 451 M CA 1.013 56.311 55.300 -0.002 0.000 1.179 451 M CB -0.839 31.770 32.600 0.015 0.000 1.335 451 M HN 0.702 nan 8.290 nan 0.000 0.465 452 G N 1.798 110.598 108.800 -0.000 0.000 2.398 452 G HA2 0.395 4.354 3.960 -0.000 0.000 0.246 452 G HA3 0.395 4.354 3.960 -0.000 0.000 0.246 452 G C -0.356 174.539 174.900 -0.007 0.000 1.289 452 G CA -0.393 44.705 45.100 -0.003 0.000 0.869 452 G HN 0.327 nan 8.290 nan 0.000 0.543 453 I N 2.800 123.359 120.570 -0.017 0.000 2.347 453 I HA 0.104 4.274 4.170 -0.000 0.000 0.283 453 I C -0.270 175.838 176.117 -0.015 0.000 1.058 453 I CA -0.557 60.736 61.300 -0.013 0.000 1.202 453 I CB 0.871 38.862 38.000 -0.014 0.000 1.386 453 I HN 0.359 nan 8.210 nan 0.000 0.475 454 D N 4.513 124.909 120.400 -0.006 0.000 2.390 454 D HA 0.054 4.693 4.640 -0.000 0.000 0.249 454 D C 1.211 177.513 176.300 0.003 0.000 1.144 454 D CA 0.332 54.327 54.000 -0.008 0.000 0.880 454 D CB 1.856 42.660 40.800 0.006 0.000 1.182 454 D HN 0.555 nan 8.370 nan 0.000 0.451 455 T N -0.868 113.684 114.554 -0.003 0.000 3.040 455 T HA -0.051 4.299 4.350 -0.000 0.000 0.250 455 T C 0.823 175.531 174.700 0.014 0.000 1.058 455 T CA -0.542 61.559 62.100 0.003 0.000 0.988 455 T CB 0.189 69.051 68.868 -0.009 0.000 0.993 455 T HN 0.125 nan 8.240 nan 0.000 0.519 456 N N 3.423 122.133 118.700 0.017 0.000 2.359 456 N HA 0.083 4.823 4.740 -0.000 0.000 0.261 456 N C -1.643 173.905 175.510 0.065 0.000 1.267 456 N CA -1.449 51.625 53.050 0.040 0.000 0.864 456 N CB 1.438 39.955 38.487 0.050 0.000 1.063 456 N HN 0.069 nan 8.380 nan 0.000 0.474 457 P HA -0.029 nan 4.420 nan 0.000 0.219 457 P C -0.573 176.787 177.300 0.099 0.000 1.146 457 P CA 0.989 64.133 63.100 0.073 0.000 0.808 457 P CB 0.225 31.963 31.700 0.064 0.000 0.779 458 A N 0.522 123.395 122.820 0.088 0.000 2.324 458 A HA 0.459 4.779 4.320 -0.000 0.000 0.330 458 A C 0.371 178.061 177.584 0.178 0.000 1.165 458 A CA -0.695 51.361 52.037 0.031 0.000 0.813 458 A CB 0.271 19.118 19.000 -0.254 0.000 1.197 458 A HN 0.251 nan 8.150 nan 0.000 0.484 459 N N 0.002 118.842 118.700 0.232 0.000 2.351 459 N HA 0.361 5.101 4.740 -0.000 0.000 0.254 459 N C -0.860 174.804 175.510 0.256 0.000 1.241 459 N CA -0.344 52.918 53.050 0.352 0.000 0.883 459 N CB 0.336 38.983 38.487 0.266 0.000 1.202 459 N HN 0.689 nan 8.380 nan 0.000 0.512 460 Y N -0.988 119.175 120.300 -0.227 0.000 2.638 460 Y HA 0.681 5.231 4.550 -0.000 0.000 0.335 460 Y C -1.536 173.776 175.900 -0.979 0.000 1.155 460 Y CA -1.374 56.423 58.100 -0.504 0.000 1.046 460 Y CB 1.045 39.374 38.460 -0.219 0.000 1.303 460 Y HN 0.065 nan 8.280 nan 0.000 0.460 461 E N 0.705 120.434 120.200 -0.785 0.000 2.356 461 E HA 0.644 4.994 4.350 -0.000 0.000 0.275 461 E C -3.208 173.283 176.600 -0.183 0.000 0.904 461 E CA -2.021 54.015 56.400 -0.607 0.000 0.757 461 E CB 1.729 31.038 29.700 -0.652 0.000 1.232 461 E HN 0.549 nan 8.360 nan 0.000 0.442 462 P HA 0.296 nan 4.420 nan 0.000 0.279 462 P C -1.288 175.962 177.300 -0.084 0.000 1.239 462 P CA -0.468 62.563 63.100 -0.114 0.000 0.789 462 P CB 0.531 32.199 31.700 -0.054 0.000 0.933 463 N N -1.301 117.272 118.700 -0.213 0.000 2.229 463 N HA 0.362 5.102 4.740 -0.000 0.000 0.298 463 N C 0.314 175.776 175.510 -0.081 0.000 1.114 463 N CA -0.775 52.158 53.050 -0.195 0.000 0.776 463 N CB 1.529 39.630 38.487 -0.643 0.000 1.501 463 N HN 0.184 nan 8.380 nan 0.000 0.474 464 S N 0.736 116.438 115.700 0.003 0.000 2.497 464 S HA -0.005 4.465 4.470 -0.000 0.000 0.218 464 S C 1.528 176.142 174.600 0.024 0.000 1.023 464 S CA -0.031 58.174 58.200 0.007 0.000 0.913 464 S CB -0.790 62.425 63.200 0.025 0.000 0.800 464 S HN 0.718 nan 8.310 nan 0.000 0.505 465 I N -0.736 119.856 120.570 0.036 0.000 3.001 465 I HA 0.230 4.400 4.170 -0.000 0.000 0.268 465 I C 1.235 177.383 176.117 0.052 0.000 1.267 465 I CA 1.186 62.517 61.300 0.053 0.000 1.472 465 I CB -0.364 37.686 38.000 0.084 0.000 1.089 465 I HN 0.186 nan 8.210 nan 0.000 0.468 466 N N 1.112 119.842 118.700 0.049 0.000 2.299 466 N HA 0.042 4.782 4.740 -0.000 0.000 0.246 466 N C -0.102 175.519 175.510 0.185 0.000 1.254 466 N CA -0.060 53.059 53.050 0.115 0.000 0.879 466 N CB 0.052 38.616 38.487 0.128 0.000 1.214 466 N HN 0.201 nan 8.380 nan 0.000 0.510 467 D N 0.828 121.286 120.400 0.097 0.000 2.751 467 D HA -0.261 4.379 4.640 -0.000 0.000 0.233 467 D C -0.109 176.095 176.300 -0.160 0.000 1.149 467 D CA 1.134 55.156 54.000 0.037 0.000 0.682 467 D CB -1.368 39.530 40.800 0.164 0.000 1.068 467 D HN 0.504 nan 8.370 nan 0.000 0.429 468 N N -1.657 116.969 118.700 -0.123 0.000 2.800 468 N HA -0.245 4.495 4.740 -0.000 0.000 0.250 468 N C -0.830 174.598 175.510 -0.137 0.000 1.078 468 N CA 1.412 54.359 53.050 -0.172 0.000 0.804 468 N CB -1.289 37.053 38.487 -0.243 0.000 1.135 468 N HN 0.534 nan 8.380 nan 0.000 0.565 469 W N 0.836 122.181 121.300 0.075 0.000 2.375 469 W HA 0.459 5.119 4.660 -0.000 0.000 0.336 469 W C -1.662 174.898 176.519 0.068 0.000 1.160 469 W CA -1.676 55.698 57.345 0.049 0.000 1.266 469 W CB 0.536 29.976 29.460 -0.033 0.000 1.195 469 W HN -0.035 nan 8.180 nan 0.000 0.599 470 P HA 0.156 nan 4.420 nan 0.000 0.271 470 P C -0.665 176.756 177.300 0.201 0.000 1.216 470 P CA -0.047 63.169 63.100 0.194 0.000 0.776 470 P CB 0.875 32.541 31.700 -0.056 0.000 0.881 471 R N 1.460 122.058 120.500 0.165 0.000 2.540 471 R HA 0.308 4.648 4.340 -0.000 0.000 0.287 471 R C 0.423 176.748 176.300 0.040 0.000 0.980 471 R CA -0.790 55.292 56.100 -0.030 0.000 0.966 471 R CB 1.067 31.136 30.300 -0.385 0.000 1.106 471 R HN 0.495 nan 8.270 nan 0.000 0.480 472 E N 0.614 120.828 120.200 0.023 0.000 2.422 472 E HA 0.027 4.377 4.350 -0.000 0.000 0.260 472 E C -0.553 176.065 176.600 0.031 0.000 1.108 472 E CA 0.700 57.126 56.400 0.044 0.000 0.943 472 E CB 0.709 30.427 29.700 0.029 0.000 0.961 472 E HN 0.366 nan 8.360 nan 0.000 0.443 473 T N 3.323 117.908 114.554 0.050 0.000 2.881 473 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 473 T C -2.461 172.262 174.700 0.038 0.000 1.000 473 T CA -1.521 60.606 62.100 0.046 0.000 0.978 473 T CB 1.545 70.453 68.868 0.066 0.000 0.997 473 T HN 0.235 nan 8.240 nan 0.000 0.443 474 P HA 0.246 nan 4.420 nan 0.000 0.269 474 P C -2.449 174.859 177.300 0.013 0.000 1.215 474 P CA -1.226 61.882 63.100 0.014 0.000 0.780 474 P CB -0.331 31.372 31.700 0.005 0.000 0.898 475 P HA 0.244 nan 4.420 nan 0.000 0.269 475 P C -0.035 177.257 177.300 -0.013 0.000 1.215 475 P CA 0.415 63.505 63.100 -0.017 0.000 0.780 475 P CB 0.636 32.306 31.700 -0.050 0.000 0.898 476 G N 1.122 109.914 108.800 -0.014 0.000 2.600 476 G HA2 0.421 4.381 3.960 -0.000 0.000 0.293 476 G HA3 0.421 4.381 3.960 -0.000 0.000 0.293 476 G C -2.615 172.277 174.900 -0.013 0.000 1.408 476 G CA -0.836 44.258 45.100 -0.009 0.000 0.782 476 G HN 0.074 nan 8.290 nan 0.000 0.482 477 P HA 0.075 nan 4.420 nan 0.000 0.218 477 P C 0.092 177.388 177.300 -0.005 0.000 1.149 477 P CA 1.203 64.296 63.100 -0.012 0.000 0.817 477 P CB 0.176 31.871 31.700 -0.009 0.000 0.785 478 K N -2.071 118.332 120.400 0.006 0.000 2.523 478 K HA 0.348 4.668 4.320 -0.000 0.000 0.257 478 K C -0.399 176.217 176.600 0.027 0.000 0.932 478 K CA -0.816 55.481 56.287 0.016 0.000 0.812 478 K CB 1.672 34.182 32.500 0.017 0.000 1.326 478 K HN -0.301 nan 8.250 nan 0.000 0.433 479 R N -0.410 120.113 120.500 0.039 0.000 3.741 479 R HA -0.140 4.200 4.340 -0.000 0.000 0.292 479 R C 0.172 176.502 176.300 0.050 0.000 1.176 479 R CA 1.270 57.400 56.100 0.050 0.000 0.794 479 R CB -2.310 28.019 30.300 0.048 0.000 1.213 479 R HN 1.013 nan 8.270 nan 0.000 0.494 480 G N -0.761 108.065 108.800 0.043 0.000 2.462 480 G HA2 0.599 4.559 3.960 -0.000 0.000 0.319 480 G HA3 0.599 4.559 3.960 -0.000 0.000 0.319 480 G C 0.387 175.322 174.900 0.059 0.000 1.171 480 G CA 0.087 45.211 45.100 0.039 0.000 0.920 480 G HN 0.253 nan 8.290 nan 0.000 0.499 481 G N -1.028 107.809 108.800 0.062 0.000 2.544 481 G HA2 0.376 4.336 3.960 -0.000 0.000 0.242 481 G HA3 0.376 4.336 3.960 -0.000 0.000 0.242 481 G C -0.516 174.450 174.900 0.108 0.000 1.247 481 G CA -0.478 44.680 45.100 0.097 0.000 0.840 481 G HN 0.472 nan 8.290 nan 0.000 0.578 482 F N 0.562 120.528 119.950 0.026 0.000 2.495 482 F HA 0.377 4.904 4.527 -0.000 0.000 0.365 482 F C 0.558 176.373 175.800 0.026 0.000 1.090 482 F CA -0.183 57.828 58.000 0.019 0.000 1.235 482 F CB 0.871 39.885 39.000 0.023 0.000 1.119 482 F HN 0.459 nan 8.300 nan 0.000 0.562 483 E N 4.092 123.974 120.200 -0.530 0.000 2.256 483 E HA 0.324 4.674 4.350 -0.000 0.000 0.268 483 E C -1.164 175.096 176.600 -0.566 0.000 0.877 483 E CA -0.775 55.438 56.400 -0.313 0.000 0.757 483 E CB 1.567 31.166 29.700 -0.169 0.000 1.183 483 E HN 0.630 nan 8.360 nan 0.000 0.418 484 S N 2.394 117.967 115.700 -0.212 0.000 2.576 484 S HA 0.043 4.512 4.470 -0.000 0.000 0.276 484 S C -0.627 173.940 174.600 -0.055 0.000 1.339 484 S CA -0.403 57.740 58.200 -0.094 0.000 1.039 484 S CB 0.215 63.513 63.200 0.163 0.000 0.902 484 S HN 0.479 nan 8.310 nan 0.000 0.516 485 Y N 2.317 122.538 120.300 -0.131 0.000 2.620 485 Y HA -0.001 4.549 4.550 -0.000 0.000 0.330 485 Y C 0.840 176.715 175.900 -0.040 0.000 1.186 485 Y CA 0.136 58.177 58.100 -0.098 0.000 1.467 485 Y CB 0.177 38.579 38.460 -0.097 0.000 1.262 485 Y HN 0.576 nan 8.280 nan 0.000 0.550 486 Q N 5.352 124.800 119.800 -0.586 0.000 3.254 486 Q HA 0.010 4.350 4.340 -0.000 0.000 0.315 486 Q C -0.191 175.515 176.000 -0.490 0.000 1.405 486 Q CA -0.044 55.513 55.803 -0.410 0.000 0.966 486 Q CB -0.203 28.360 28.738 -0.292 0.000 1.706 486 Q HN 0.654 nan 8.270 nan 0.000 0.525 487 E N 1.609 121.594 120.200 -0.359 0.000 2.413 487 E HA -0.021 4.329 4.350 -0.000 0.000 0.263 487 E C -0.089 176.471 176.600 -0.067 0.000 1.015 487 E CA -0.482 55.833 56.400 -0.141 0.000 0.916 487 E CB 0.640 30.396 29.700 0.093 0.000 0.947 487 E HN 0.181 nan 8.360 nan 0.000 0.440 488 R N 3.028 123.513 120.500 -0.025 0.000 2.389 488 R HA 0.194 4.534 4.340 -0.000 0.000 0.295 488 R C -1.557 174.760 176.300 0.029 0.000 1.075 488 R CA -0.228 55.870 56.100 -0.002 0.000 1.005 488 R CB 0.828 31.136 30.300 0.013 0.000 0.987 488 R HN 0.256 nan 8.270 nan 0.000 0.452 489 V N 4.803 124.729 119.914 0.019 0.000 2.495 489 V HA 0.461 4.581 4.120 -0.000 0.000 0.298 489 V C -0.464 175.642 176.094 0.020 0.000 1.031 489 V CA -0.592 61.725 62.300 0.028 0.000 0.871 489 V CB 1.418 33.255 31.823 0.024 0.000 0.988 489 V HN 0.905 nan 8.190 nan 0.000 0.432 490 E N 2.840 123.053 120.200 0.023 0.000 2.307 490 E HA 0.641 4.991 4.350 -0.000 0.000 0.280 490 E C -0.498 176.107 176.600 0.009 0.000 0.900 490 E CA -0.127 56.281 56.400 0.013 0.000 0.790 490 E CB 2.007 31.715 29.700 0.013 0.000 1.261 490 E HN 0.993 nan 8.360 nan 0.000 0.405 491 G N 2.729 111.530 108.800 0.001 0.000 2.320 491 G HA2 0.082 4.042 3.960 -0.000 0.000 0.297 491 G HA3 0.082 4.042 3.960 -0.000 0.000 0.297 491 G C -1.457 173.437 174.900 -0.009 0.000 1.344 491 G CA -0.965 44.132 45.100 -0.005 0.000 0.851 491 G HN 0.412 nan 8.290 nan 0.000 0.567 492 N N 0.104 118.795 118.700 -0.015 0.000 2.463 492 N HA 0.365 5.105 4.740 -0.000 0.000 0.270 492 N C -0.129 175.369 175.510 -0.021 0.000 1.205 492 N CA -0.263 52.777 53.050 -0.017 0.000 0.974 492 N CB 0.906 39.382 38.487 -0.019 0.000 1.197 492 N HN 0.458 nan 8.380 nan 0.000 0.504 493 K N 0.938 121.325 120.400 -0.021 0.000 2.294 493 K HA 0.200 4.520 4.320 -0.000 0.000 0.288 493 K C -0.464 176.116 176.600 -0.034 0.000 1.072 493 K CA -0.221 56.050 56.287 -0.026 0.000 0.960 493 K CB -0.116 32.370 32.500 -0.023 0.000 1.043 493 K HN 0.340 nan 8.250 nan 0.000 0.455 494 V N 0.204 120.093 119.914 -0.042 0.000 2.876 494 V HA 0.477 4.597 4.120 -0.000 0.000 0.312 494 V C -0.391 175.664 176.094 -0.066 0.000 1.085 494 V CA -1.325 60.946 62.300 -0.050 0.000 0.945 494 V CB 2.012 33.806 31.823 -0.048 0.000 1.017 494 V HN 0.601 nan 8.190 nan 0.000 0.428 495 R N 2.533 122.989 120.500 -0.074 0.000 2.825 495 R HA 0.532 4.872 4.340 -0.000 0.000 0.261 495 R C -0.395 175.852 176.300 -0.088 0.000 1.341 495 R CA -0.113 55.929 56.100 -0.097 0.000 1.353 495 R CB 0.668 30.897 30.300 -0.119 0.000 1.191 495 R HN 0.942 nan 8.270 nan 0.000 0.590 496 E N 1.807 121.952 120.200 -0.091 0.000 2.331 496 E HA 0.276 4.626 4.350 -0.000 0.000 0.275 496 E C -1.177 175.352 176.600 -0.119 0.000 0.895 496 E CA -1.080 55.269 56.400 -0.086 0.000 0.753 496 E CB 1.722 31.381 29.700 -0.070 0.000 1.216 496 E HN 0.094 nan 8.360 nan 0.000 0.434 497 R N 1.546 121.980 120.500 -0.111 0.000 2.390 497 R HA 0.230 4.570 4.340 -0.000 0.000 0.291 497 R C -0.546 175.638 176.300 -0.193 0.000 1.070 497 R CA 0.049 56.046 56.100 -0.172 0.000 1.014 497 R CB 1.255 31.508 30.300 -0.077 0.000 1.007 497 R HN 0.410 nan 8.270 nan 0.000 0.466 498 S N 4.400 119.877 115.700 -0.373 0.000 2.562 498 S HA 0.154 4.624 4.470 -0.000 0.000 0.281 498 S C -1.594 172.983 174.600 -0.037 0.000 1.333 498 S CA -1.282 56.793 58.200 -0.208 0.000 1.052 498 S CB 0.749 63.783 63.200 -0.277 0.000 0.884 498 S HN 0.538 nan 8.310 nan 0.000 0.506 499 P HA -0.083 nan 4.420 nan 0.000 0.218 499 P C 1.538 178.889 177.300 0.085 0.000 1.149 499 P CA 1.101 64.225 63.100 0.039 0.000 0.817 499 P CB -0.085 31.626 31.700 0.018 0.000 0.785 500 S N -1.897 113.891 115.700 0.148 0.000 2.469 500 S HA -0.122 4.347 4.470 -0.000 0.000 0.238 500 S C 1.466 176.216 174.600 0.249 0.000 0.998 500 S CA 0.922 59.236 58.200 0.190 0.000 0.957 500 S CB -1.395 61.949 63.200 0.240 0.000 0.764 500 S HN -0.030 nan 8.310 nan 0.000 0.514 501 F N 2.145 122.081 119.950 -0.022 0.000 2.789 501 F HA 0.390 4.917 4.527 -0.000 0.000 0.300 501 F C 1.991 177.720 175.800 -0.118 0.000 1.132 501 F CA -0.743 57.238 58.000 -0.031 0.000 1.404 501 F CB -0.643 38.371 39.000 0.023 0.000 1.114 501 F HN 0.349 nan 8.300 nan 0.000 0.584 502 G N 0.623 109.421 108.800 -0.004 0.000 3.455 502 G HA2 0.088 4.048 3.960 -0.000 0.000 0.250 502 G HA3 0.088 4.048 3.960 -0.000 0.000 0.250 502 G C -0.055 174.426 174.900 -0.698 0.000 1.071 502 G CA 0.137 45.052 45.100 -0.309 0.000 1.812 502 G HN 0.039 nan 8.290 nan 0.000 0.643 503 E N 0.227 119.936 120.200 -0.819 0.000 2.260 503 E HA 0.308 4.658 4.350 -0.000 0.000 0.266 503 E C -0.894 175.296 176.600 -0.682 0.000 0.887 503 E CA -0.764 55.243 56.400 -0.655 0.000 0.777 503 E CB 1.454 31.006 29.700 -0.247 0.000 1.205 503 E HN 0.229 nan 8.360 nan 0.000 0.414 504 Y N 2.699 122.791 120.300 -0.347 0.000 2.471 504 Y HA 0.201 4.751 4.550 -0.000 0.000 0.249 504 Y C 0.631 176.257 175.900 -0.457 0.000 1.116 504 Y CA -0.107 57.696 58.100 -0.496 0.000 1.240 504 Y CB 0.437 38.446 38.460 -0.751 0.000 1.251 504 Y HN 0.422 nan 8.280 nan 0.000 0.527 505 Y N -1.513 118.876 120.300 0.149 0.000 2.430 505 Y HA 0.123 4.673 4.550 -0.000 0.000 0.254 505 Y C 2.312 178.275 175.900 0.105 0.000 1.088 505 Y CA 0.047 58.227 58.100 0.134 0.000 1.267 505 Y CB -0.221 38.324 38.460 0.143 0.000 1.204 505 Y HN 0.057 nan 8.280 nan 0.000 0.515 506 S N -0.976 114.855 115.700 0.220 0.000 2.406 506 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 506 S C 1.402 176.077 174.600 0.124 0.000 1.020 506 S CA 1.405 59.714 58.200 0.181 0.000 0.965 506 S CB -0.475 62.832 63.200 0.179 0.000 0.798 506 S HN 0.415 nan 8.310 nan 0.000 0.488 507 H N 2.780 121.768 119.070 -0.137 0.000 2.363 507 H HA 0.199 4.755 4.556 -0.000 0.000 0.301 507 H C -0.710 174.411 175.328 -0.344 0.000 1.074 507 H CA 1.218 57.026 56.048 -0.401 0.000 1.354 507 H CB -1.609 27.688 29.762 -0.776 0.000 1.397 507 H HN 0.388 nan 8.280 nan 0.000 0.516 508 P HA -0.149 nan 4.420 nan 0.000 0.216 508 P C 1.446 178.932 177.300 0.310 0.000 1.150 508 P CA 1.609 64.868 63.100 0.265 0.000 0.837 508 P CB 0.112 31.994 31.700 0.304 0.000 0.786 509 R N -0.461 120.170 120.500 0.218 0.000 2.090 509 R HA -0.082 4.258 4.340 -0.000 0.000 0.228 509 R C 2.134 178.557 176.300 0.205 0.000 1.110 509 R CA 0.871 57.103 56.100 0.220 0.000 0.973 509 R CB -0.944 29.449 30.300 0.155 0.000 0.869 509 R HN 0.070 nan 8.270 nan 0.000 0.440 510 L N 0.391 121.680 121.223 0.111 0.000 2.046 510 L HA -0.114 4.225 4.340 -0.000 0.000 0.208 510 L C 1.964 178.892 176.870 0.096 0.000 1.077 510 L CA 1.703 56.572 54.840 0.047 0.000 0.747 510 L CB -0.652 41.357 42.059 -0.083 0.000 0.896 510 L HN 0.212 nan 8.230 nan 0.000 0.432 511 F N -0.711 119.269 119.950 0.050 0.000 2.075 511 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 511 F C 2.341 178.146 175.800 0.008 0.000 1.113 511 F CA 2.228 60.242 58.000 0.023 0.000 1.218 511 F CB -0.668 38.391 39.000 0.098 0.000 0.984 511 F HN 0.373 nan 8.300 nan 0.000 0.472 512 W N 1.413 122.688 121.300 -0.040 0.000 2.321 512 W HA -0.256 4.404 4.660 -0.000 0.000 0.306 512 W C 1.728 178.125 176.519 -0.203 0.000 1.217 512 W CA 1.857 59.126 57.345 -0.126 0.000 1.257 512 W CB -0.691 28.790 29.460 0.036 0.000 1.145 512 W HN 0.116 nan 8.180 nan 0.000 0.509 513 L N 0.990 122.132 121.223 -0.136 0.000 2.376 513 L HA -0.142 4.197 4.340 -0.000 0.000 0.219 513 L C 2.367 179.052 176.870 -0.308 0.000 1.133 513 L CA 1.057 55.759 54.840 -0.230 0.000 0.816 513 L CB -0.667 41.375 42.059 -0.030 0.000 0.933 513 L HN -0.159 nan 8.230 nan 0.000 0.449 514 S N -1.448 114.050 115.700 -0.338 0.000 2.527 514 S HA 0.038 4.508 4.470 -0.000 0.000 0.222 514 S C 0.727 175.043 174.600 -0.474 0.000 0.985 514 S CA 0.144 58.139 58.200 -0.341 0.000 0.921 514 S CB -0.001 63.030 63.200 -0.282 0.000 0.772 514 S HN 0.297 nan 8.310 nan 0.000 0.529 515 Q N 2.449 121.860 119.800 -0.649 0.000 2.299 515 Q HA 0.258 4.598 4.340 -0.000 0.000 0.246 515 Q C 0.628 176.236 176.000 -0.653 0.000 0.935 515 Q CA -0.074 55.306 55.803 -0.704 0.000 0.887 515 Q CB 0.475 28.716 28.738 -0.829 0.000 1.223 515 Q HN 0.449 nan 8.270 nan 0.000 0.439 516 T N -1.155 112.981 114.554 -0.695 0.000 2.734 516 T HA 0.103 4.453 4.350 -0.000 0.000 0.314 516 T C -1.699 172.559 174.700 -0.736 0.000 1.057 516 T CA -1.172 60.488 62.100 -0.732 0.000 1.047 516 T CB 0.180 68.374 68.868 -1.123 0.000 0.991 516 T HN 0.260 nan 8.240 nan 0.000 0.540 517 P HA -0.019 nan 4.420 nan 0.000 0.216 517 P C 1.434 178.533 177.300 -0.334 0.000 1.153 517 P CA 1.045 63.933 63.100 -0.353 0.000 0.848 517 P CB -0.257 31.345 31.700 -0.162 0.000 0.787 518 F N 0.006 119.762 119.950 -0.324 0.000 2.259 518 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 518 F C 1.809 177.256 175.800 -0.589 0.000 1.088 518 F CA 0.799 58.543 58.000 -0.426 0.000 1.358 518 F CB -1.458 37.289 39.000 -0.421 0.000 1.040 518 F HN -0.123 nan 8.300 nan 0.000 0.505 519 E N 0.653 120.250 120.200 -1.005 0.000 2.077 519 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 519 E C 2.212 178.601 176.600 -0.352 0.000 0.989 519 E CA 1.505 57.548 56.400 -0.596 0.000 0.800 519 E CB -0.285 29.014 29.700 -0.669 0.000 0.746 519 E HN 0.636 nan 8.360 nan 0.000 0.452 520 Q N 0.284 119.799 119.800 -0.474 0.000 2.084 520 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 520 Q C 2.256 178.280 176.000 0.041 0.000 0.978 520 Q CA 1.351 56.913 55.803 -0.402 0.000 0.844 520 Q CB -0.168 28.071 28.738 -0.833 0.000 0.898 520 Q HN 0.021 nan 8.270 nan 0.000 0.426 521 R N 0.413 120.913 120.500 -0.000 0.000 2.081 521 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 521 R C 1.670 178.149 176.300 0.298 0.000 1.131 521 R CA 1.849 58.039 56.100 0.151 0.000 0.960 521 R CB -0.373 29.991 30.300 0.107 0.000 0.856 521 R HN 0.468 nan 8.270 nan 0.000 0.436 522 H N -0.757 118.406 119.070 0.155 0.000 2.389 522 H HA -0.025 4.530 4.556 -0.000 0.000 0.299 522 H C 2.039 177.479 175.328 0.187 0.000 1.081 522 H CA 1.209 57.362 56.048 0.175 0.000 1.345 522 H CB 0.017 29.889 29.762 0.184 0.000 1.393 522 H HN 0.189 nan 8.280 nan 0.000 0.520 523 I N 0.223 121.006 120.570 0.356 0.000 2.142 523 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 523 I C 2.346 178.746 176.117 0.471 0.000 1.078 523 I CA 0.854 62.399 61.300 0.409 0.000 1.343 523 I CB -0.188 38.154 38.000 0.569 0.000 1.046 523 I HN 0.074 nan 8.210 nan 0.000 0.405 524 V N 0.962 121.144 119.914 0.447 0.000 2.252 524 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 524 V C 2.106 178.371 176.094 0.285 0.000 1.056 524 V CA 2.237 64.746 62.300 0.348 0.000 1.022 524 V CB -0.715 31.273 31.823 0.275 0.000 0.641 524 V HN 0.427 nan 8.190 nan 0.000 0.445 525 D N 0.387 120.936 120.400 0.248 0.000 2.123 525 D HA -0.119 4.520 4.640 -0.000 0.000 0.196 525 D C 2.167 178.535 176.300 0.114 0.000 0.992 525 D CA 1.627 55.737 54.000 0.184 0.000 0.833 525 D CB -0.694 40.222 40.800 0.192 0.000 0.954 525 D HN 0.483 nan 8.370 nan 0.000 0.455 526 G N -0.024 108.821 108.800 0.075 0.000 2.433 526 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 526 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 526 G C 1.486 176.377 174.900 -0.015 0.000 1.186 526 G CA 0.272 45.323 45.100 -0.081 0.000 0.779 526 G HN 0.168 nan 8.290 nan 0.000 0.543 527 F N 1.861 121.845 119.950 0.057 0.000 2.095 527 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 527 F C 3.196 178.920 175.800 -0.127 0.000 1.104 527 F CA 1.679 59.653 58.000 -0.044 0.000 1.232 527 F CB -0.443 38.543 39.000 -0.023 0.000 0.987 527 F HN 0.090 nan 8.300 nan 0.000 0.475 528 S N -0.124 115.669 115.700 0.155 0.000 2.368 528 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 528 S C 1.878 176.500 174.600 0.037 0.000 1.030 528 S CA 1.394 59.635 58.200 0.067 0.000 0.999 528 S CB -0.846 62.414 63.200 0.100 0.000 0.844 528 S HN 0.408 nan 8.310 nan 0.000 0.459 529 F N 2.525 122.433 119.950 -0.071 0.000 2.084 529 F HA -0.096 4.430 4.527 -0.000 0.000 0.296 529 F C 2.390 178.127 175.800 -0.105 0.000 1.111 529 F CA 1.476 59.425 58.000 -0.085 0.000 1.224 529 F CB -0.278 38.615 39.000 -0.179 0.000 0.991 529 F HN 0.112 nan 8.300 nan 0.000 0.471 530 E N 0.226 120.397 120.200 -0.049 0.000 2.058 530 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 530 E C 2.188 178.592 176.600 -0.326 0.000 0.997 530 E CA 1.271 57.601 56.400 -0.116 0.000 0.801 530 E CB -0.535 29.239 29.700 0.123 0.000 0.746 530 E HN 0.322 nan 8.360 nan 0.000 0.450 531 L N 1.209 122.162 121.223 -0.450 0.000 2.131 531 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 531 L C 2.351 179.057 176.870 -0.273 0.000 1.092 531 L CA 1.387 55.948 54.840 -0.465 0.000 0.759 531 L CB -0.928 40.879 42.059 -0.421 0.000 0.903 531 L HN -0.031 nan 8.230 nan 0.000 0.435 532 S N -0.655 114.901 115.700 -0.241 0.000 2.419 532 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 532 S C 1.654 176.140 174.600 -0.191 0.000 1.019 532 S CA 0.956 59.039 58.200 -0.194 0.000 0.982 532 S CB -0.105 62.975 63.200 -0.201 0.000 0.789 532 S HN 0.371 nan 8.310 nan 0.000 0.490 533 K N 1.053 121.313 120.400 -0.233 0.000 2.444 533 K HA 0.224 4.543 4.320 -0.000 0.000 0.193 533 K C -0.002 176.587 176.600 -0.018 0.000 1.024 533 K CA 0.072 56.280 56.287 -0.132 0.000 1.077 533 K CB -0.066 32.336 32.500 -0.163 0.000 0.833 533 K HN 0.196 nan 8.250 nan 0.000 0.517 534 V N 2.383 122.269 119.914 -0.048 0.000 2.427 534 V HA -0.009 4.111 4.120 -0.000 0.000 0.268 534 V C 1.698 177.777 176.094 -0.025 0.000 1.046 534 V CA -0.052 62.247 62.300 -0.002 0.000 0.970 534 V CB 1.274 33.064 31.823 -0.054 0.000 1.001 534 V HN -0.108 nan 8.190 nan 0.000 0.476 535 V N 5.207 125.128 119.914 0.011 0.000 2.667 535 V HA -0.036 4.084 4.120 -0.000 0.000 0.252 535 V C 1.271 177.347 176.094 -0.029 0.000 1.065 535 V CA 1.236 63.538 62.300 0.003 0.000 1.083 535 V CB -0.577 31.266 31.823 0.033 0.000 0.692 535 V HN 0.739 nan 8.190 nan 0.000 0.468 536 R N 0.736 121.188 120.500 -0.080 0.000 2.205 536 R HA 0.230 4.570 4.340 -0.000 0.000 0.342 536 R C -1.736 174.442 176.300 -0.204 0.000 1.058 536 R CA -1.612 54.407 56.100 -0.134 0.000 0.904 536 R CB 0.837 30.981 30.300 -0.260 0.000 1.089 536 R HN 0.193 nan 8.270 nan 0.000 0.471 537 P HA -0.223 nan 4.420 nan 0.000 0.217 537 P C 0.727 178.003 177.300 -0.040 0.000 1.148 537 P CA 1.256 64.330 63.100 -0.044 0.000 0.828 537 P CB -0.002 31.708 31.700 0.016 0.000 0.783 538 Y N -1.550 118.750 120.300 -0.000 0.000 2.352 538 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 538 Y C 1.967 177.873 175.900 0.009 0.000 1.136 538 Y CA 0.683 58.784 58.100 0.001 0.000 1.227 538 Y CB -1.708 36.754 38.460 0.002 0.000 0.991 538 Y HN -0.109 nan 8.280 nan 0.000 0.545 539 I N 0.947 121.129 120.570 -0.647 0.000 2.252 539 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 539 I C 2.520 178.558 176.117 -0.131 0.000 1.102 539 I CA 1.402 62.485 61.300 -0.361 0.000 1.385 539 I CB -0.386 37.390 38.000 -0.374 0.000 1.064 539 I HN 0.202 nan 8.210 nan 0.000 0.414 540 R N 0.867 121.280 120.500 -0.146 0.000 2.091 540 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 540 R C 2.126 178.383 176.300 -0.072 0.000 1.136 540 R CA 1.624 57.650 56.100 -0.124 0.000 0.959 540 R CB -0.499 29.725 30.300 -0.127 0.000 0.856 540 R HN 0.474 nan 8.270 nan 0.000 0.437 541 E N 0.533 120.713 120.200 -0.032 0.000 2.058 541 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 541 E C 2.171 178.780 176.600 0.015 0.000 0.997 541 E CA 1.118 57.518 56.400 -0.000 0.000 0.801 541 E CB -0.083 29.640 29.700 0.038 0.000 0.746 541 E HN 0.302 nan 8.360 nan 0.000 0.450 542 R N 0.403 120.928 120.500 0.043 0.000 2.096 542 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 542 R C 2.432 178.757 176.300 0.042 0.000 1.127 542 R CA 1.066 57.200 56.100 0.058 0.000 0.968 542 R CB -0.289 30.067 30.300 0.093 0.000 0.861 542 R HN 0.065 nan 8.270 nan 0.000 0.440 543 V N 0.424 120.359 119.914 0.036 0.000 2.358 543 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 543 V C 2.324 178.403 176.094 -0.025 0.000 1.047 543 V CA 1.445 63.778 62.300 0.054 0.000 1.035 543 V CB -0.266 31.612 31.823 0.092 0.000 0.658 543 V HN 0.115 nan 8.190 nan 0.000 0.452 544 V N 0.532 120.407 119.914 -0.065 0.000 2.332 544 V HA -0.325 3.794 4.120 -0.000 0.000 0.248 544 V C 2.320 178.377 176.094 -0.061 0.000 1.055 544 V CA 2.498 64.738 62.300 -0.100 0.000 1.038 544 V CB -0.708 31.060 31.823 -0.091 0.000 0.651 544 V HN 0.650 nan 8.190 nan 0.000 0.450 545 D N -0.792 119.603 120.400 -0.009 0.000 2.149 545 D HA -0.198 4.441 4.640 -0.000 0.000 0.198 545 D C 2.269 178.633 176.300 0.106 0.000 0.990 545 D CA 1.149 55.175 54.000 0.045 0.000 0.839 545 D CB -0.005 40.835 40.800 0.067 0.000 0.948 545 D HN 0.354 nan 8.370 nan 0.000 0.460 546 Q N -0.294 119.533 119.800 0.044 0.000 2.119 546 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 546 Q C 2.540 178.552 176.000 0.020 0.000 0.972 546 Q CA 0.543 56.366 55.803 0.035 0.000 0.847 546 Q CB -0.190 28.599 28.738 0.085 0.000 0.903 546 Q HN 0.456 nan 8.270 nan 0.000 0.433 547 L N 0.147 121.329 121.223 -0.068 0.000 2.083 547 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 547 L C 2.349 179.114 176.870 -0.174 0.000 1.083 547 L CA 0.997 55.724 54.840 -0.187 0.000 0.752 547 L CB -0.661 41.184 42.059 -0.356 0.000 0.899 547 L HN 0.097 nan 8.230 nan 0.000 0.433 548 A N -0.761 121.986 122.820 -0.120 0.000 2.125 548 A HA -0.203 4.116 4.320 -0.000 0.000 0.219 548 A C 1.732 179.175 177.584 -0.234 0.000 1.156 548 A CA 1.287 53.226 52.037 -0.164 0.000 0.671 548 A CB -0.706 18.208 19.000 -0.144 0.000 0.794 548 A HN 0.446 nan 8.150 nan 0.000 0.459 549 H N -1.262 117.600 119.070 -0.347 0.000 2.551 549 H HA 0.273 4.829 4.556 -0.000 0.000 0.266 549 H C 1.569 176.630 175.328 -0.446 0.000 0.977 549 H CA 0.850 56.567 56.048 -0.552 0.000 1.163 549 H CB 0.064 29.062 29.762 -1.272 0.000 1.381 549 H HN 0.499 nan 8.280 nan 0.000 0.581 550 I N -1.138 119.341 120.570 -0.152 0.000 2.681 550 I HA 0.071 4.241 4.170 -0.000 0.000 0.247 550 I C -0.128 175.923 176.117 -0.110 0.000 1.091 550 I CA 0.461 61.735 61.300 -0.045 0.000 1.442 550 I CB 0.654 38.650 38.000 -0.006 0.000 1.219 550 I HN 0.090 nan 8.210 nan 0.000 0.451 551 D N -0.275 119.986 120.400 -0.232 0.000 2.931 551 D HA 0.149 4.789 4.640 -0.000 0.000 0.215 551 D C 0.336 176.478 176.300 -0.263 0.000 1.297 551 D CA -0.393 53.452 54.000 -0.258 0.000 0.892 551 D CB 1.527 42.042 40.800 -0.475 0.000 1.642 551 D HN -0.075 nan 8.370 nan 0.000 0.560 552 L N 3.185 124.312 121.223 -0.160 0.000 2.083 552 L HA -0.057 4.282 4.340 -0.000 0.000 0.209 552 L C 1.252 178.046 176.870 -0.127 0.000 1.083 552 L CA 2.039 56.797 54.840 -0.138 0.000 0.752 552 L CB -0.912 41.092 42.059 -0.093 0.000 0.899 552 L HN 0.586 nan 8.230 nan 0.000 0.433 553 T N 0.951 115.454 114.554 -0.085 0.000 2.708 553 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 553 T C 1.888 176.528 174.700 -0.100 0.000 1.037 553 T CA 1.650 63.738 62.100 -0.020 0.000 1.146 553 T CB -0.353 68.589 68.868 0.122 0.000 0.865 553 T HN 0.343 nan 8.240 nan 0.000 0.435 554 L N 1.666 122.678 121.223 -0.350 0.000 2.012 554 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 554 L C 2.592 179.243 176.870 -0.365 0.000 1.073 554 L CA 2.114 56.598 54.840 -0.593 0.000 0.748 554 L CB -1.066 40.183 42.059 -1.349 0.000 0.891 554 L HN 0.209 nan 8.230 nan 0.000 0.431 555 A N -1.107 121.513 122.820 -0.332 0.000 1.933 555 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 555 A C 2.217 179.706 177.584 -0.159 0.000 1.175 555 A CA 1.863 53.751 52.037 -0.248 0.000 0.628 555 A CB -0.603 18.270 19.000 -0.210 0.000 0.814 555 A HN 0.706 nan 8.150 nan 0.000 0.444 556 Q N -0.836 118.893 119.800 -0.118 0.000 2.119 556 Q HA -0.040 4.300 4.340 -0.000 0.000 0.201 556 Q C 2.435 178.408 176.000 -0.045 0.000 0.972 556 Q CA 1.155 56.917 55.803 -0.069 0.000 0.847 556 Q CB -0.336 28.375 28.738 -0.045 0.000 0.903 556 Q HN 0.685 nan 8.270 nan 0.000 0.433 557 A N 0.336 123.135 122.820 -0.036 0.000 1.902 557 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 557 A C 2.297 179.880 177.584 -0.001 0.000 1.181 557 A CA 1.257 53.299 52.037 0.009 0.000 0.623 557 A CB -0.582 18.454 19.000 0.060 0.000 0.818 557 A HN 0.200 nan 8.150 nan 0.000 0.443 558 V N -0.216 119.669 119.914 -0.049 0.000 2.307 558 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 558 V C 3.065 179.126 176.094 -0.055 0.000 1.045 558 V CA 1.761 64.029 62.300 -0.052 0.000 1.024 558 V CB -1.244 30.496 31.823 -0.140 0.000 0.651 558 V HN 0.604 nan 8.190 nan 0.000 0.449 559 A N -0.051 122.726 122.820 -0.072 0.000 1.917 559 A HA -0.319 4.000 4.320 -0.000 0.000 0.219 559 A C 2.347 179.913 177.584 -0.030 0.000 1.182 559 A CA 2.436 54.439 52.037 -0.056 0.000 0.633 559 A CB -0.551 18.414 19.000 -0.059 0.000 0.819 559 A HN 0.535 nan 8.150 nan 0.000 0.448 560 K N -0.601 119.789 120.400 -0.018 0.000 2.148 560 K HA -0.155 4.164 4.320 -0.000 0.000 0.204 560 K C 1.349 177.954 176.600 0.008 0.000 1.050 560 K CA 1.416 57.702 56.287 -0.001 0.000 0.942 560 K CB -0.184 32.321 32.500 0.009 0.000 0.724 560 K HN 0.424 nan 8.250 nan 0.000 0.446 561 N N 0.723 119.431 118.700 0.013 0.000 2.396 561 N HA -0.074 4.666 4.740 -0.000 0.000 0.180 561 N C 1.289 176.804 175.510 0.008 0.000 1.028 561 N CA 0.782 53.847 53.050 0.025 0.000 0.893 561 N CB 0.131 38.646 38.487 0.046 0.000 0.967 561 N HN 0.264 nan 8.380 nan 0.000 0.440 562 L N -0.838 120.378 121.223 -0.012 0.000 2.607 562 L HA 0.254 4.594 4.340 -0.000 0.000 0.228 562 L C 0.953 177.812 176.870 -0.019 0.000 1.123 562 L CA -0.038 54.786 54.840 -0.027 0.000 0.890 562 L CB -0.057 41.971 42.059 -0.052 0.000 1.103 562 L HN 0.075 nan 8.230 nan 0.000 0.468 563 G N 1.544 110.338 108.800 -0.010 0.000 2.198 563 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 563 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 563 G C 0.049 174.943 174.900 -0.010 0.000 1.025 563 G CA 0.120 45.216 45.100 -0.006 0.000 0.769 563 G HN 0.321 nan 8.290 nan 0.000 0.507 564 I N -0.157 120.402 120.570 -0.018 0.000 2.525 564 I HA 0.441 4.611 4.170 -0.000 0.000 0.301 564 I C 0.271 176.376 176.117 -0.020 0.000 0.992 564 I CA -0.719 60.569 61.300 -0.020 0.000 1.162 564 I CB 1.652 39.634 38.000 -0.029 0.000 1.332 564 I HN 0.054 nan 8.210 nan 0.000 0.458 565 E N 5.748 125.938 120.200 -0.017 0.000 2.145 565 E HA 0.426 4.776 4.350 -0.000 0.000 0.270 565 E C -1.021 175.565 176.600 -0.023 0.000 0.906 565 E CA -0.693 55.696 56.400 -0.018 0.000 0.761 565 E CB 1.940 31.633 29.700 -0.012 0.000 1.116 565 E HN 0.400 nan 8.360 nan 0.000 0.408 566 L N 2.883 124.087 121.223 -0.031 0.000 2.456 566 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 566 L C 1.195 178.046 176.870 -0.031 0.000 1.189 566 L CA 0.012 54.830 54.840 -0.037 0.000 0.846 566 L CB 0.149 42.178 42.059 -0.050 0.000 1.111 566 L HN 0.652 nan 8.230 nan 0.000 0.475 567 T N -2.354 112.182 114.554 -0.031 0.000 2.788 567 T HA 0.031 4.381 4.350 -0.000 0.000 0.287 567 T C 0.876 175.555 174.700 -0.034 0.000 1.007 567 T CA -0.727 61.357 62.100 -0.027 0.000 1.005 567 T CB 1.278 70.133 68.868 -0.022 0.000 1.012 567 T HN 0.545 nan 8.240 nan 0.000 0.530 568 D N 0.250 120.633 120.400 -0.029 0.000 2.117 568 D HA -0.115 4.524 4.640 -0.000 0.000 0.197 568 D C 1.498 177.773 176.300 -0.041 0.000 0.987 568 D CA 1.227 55.208 54.000 -0.031 0.000 0.829 568 D CB -0.038 40.748 40.800 -0.023 0.000 0.961 568 D HN 0.558 nan 8.370 nan 0.000 0.460 569 D N 0.663 121.040 120.400 -0.039 0.000 2.104 569 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 569 D C 2.178 178.432 176.300 -0.077 0.000 0.994 569 D CA 0.890 54.861 54.000 -0.049 0.000 0.830 569 D CB -0.286 40.493 40.800 -0.035 0.000 0.959 569 D HN 0.334 nan 8.370 nan 0.000 0.452 570 Q N -0.434 119.321 119.800 -0.075 0.000 2.124 570 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 570 Q C 1.966 177.895 176.000 -0.118 0.000 0.977 570 Q CA 0.555 56.293 55.803 -0.108 0.000 0.850 570 Q CB -0.021 28.670 28.738 -0.079 0.000 0.901 570 Q HN 0.169 nan 8.270 nan 0.000 0.429 571 L N 0.588 121.760 121.223 -0.085 0.000 2.275 571 L HA -0.130 4.209 4.340 -0.000 0.000 0.215 571 L C 0.757 177.579 176.870 -0.080 0.000 1.119 571 L CA 1.649 56.443 54.840 -0.077 0.000 0.790 571 L CB -0.369 41.658 42.059 -0.054 0.000 0.919 571 L HN 0.209 nan 8.230 nan 0.000 0.443 572 N N -1.435 117.214 118.700 -0.084 0.000 2.235 572 N HA 0.200 4.940 4.740 -0.000 0.000 0.209 572 N C 0.053 175.501 175.510 -0.104 0.000 1.122 572 N CA -0.210 52.794 53.050 -0.077 0.000 0.845 572 N CB 0.487 38.940 38.487 -0.057 0.000 1.004 572 N HN 0.181 nan 8.380 nan 0.000 0.499 573 I N 1.643 122.118 120.570 -0.159 0.000 2.598 573 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 573 I C 0.475 176.496 176.117 -0.160 0.000 1.140 573 I CA 0.237 61.404 61.300 -0.221 0.000 1.420 573 I CB 0.497 38.243 38.000 -0.424 0.000 1.387 573 I HN 0.060 nan 8.210 nan 0.000 0.553 574 T N 8.088 122.573 114.554 -0.115 0.000 2.888 574 T HA 0.150 4.500 4.350 -0.000 0.000 0.301 574 T C -2.058 172.601 174.700 -0.067 0.000 1.001 574 T CA -0.819 61.240 62.100 -0.067 0.000 1.147 574 T CB 0.108 68.958 68.868 -0.031 0.000 0.931 574 T HN 0.393 nan 8.240 nan 0.000 0.541 575 P HA 0.230 nan 4.420 nan 0.000 0.271 575 P C -2.351 174.963 177.300 0.023 0.000 1.218 575 P CA -1.505 61.582 63.100 -0.021 0.000 0.780 575 P CB -0.475 31.223 31.700 -0.004 0.000 0.901 576 P HA 0.161 nan 4.420 nan 0.000 0.271 576 P C -2.352 175.000 177.300 0.088 0.000 1.233 576 P CA -1.073 62.094 63.100 0.112 0.000 0.789 576 P CB -1.036 30.777 31.700 0.188 0.000 0.951 577 P HA 0.083 nan 4.420 nan 0.000 0.272 577 P C -0.380 176.969 177.300 0.081 0.000 1.240 577 P CA 0.016 63.162 63.100 0.077 0.000 0.791 577 P CB 0.162 31.909 31.700 0.078 0.000 0.978 578 D N -0.434 120.006 120.400 0.067 0.000 2.371 578 D HA 0.105 4.745 4.640 -0.000 0.000 0.242 578 D C -0.420 175.927 176.300 0.079 0.000 1.218 578 D CA -0.376 53.660 54.000 0.061 0.000 0.945 578 D CB -0.104 40.725 40.800 0.049 0.000 1.137 578 D HN -0.002 nan 8.370 nan 0.000 0.464 579 V N 1.490 121.441 119.914 0.063 0.000 2.334 579 V HA 0.156 4.276 4.120 -0.000 0.000 0.267 579 V C -0.064 176.123 176.094 0.154 0.000 1.040 579 V CA -0.766 61.600 62.300 0.110 0.000 0.866 579 V CB -0.698 31.105 31.823 -0.032 0.000 1.019 579 V HN 0.703 nan 8.190 nan 0.000 0.468 580 N N 4.452 123.259 118.700 0.179 0.000 2.714 580 N HA -0.225 4.515 4.740 -0.000 0.000 0.252 580 N C 1.193 176.761 175.510 0.098 0.000 1.014 580 N CA 1.032 54.169 53.050 0.145 0.000 0.735 580 N CB -0.861 37.749 38.487 0.206 0.000 0.924 580 N HN 1.287 nan 8.380 nan 0.000 0.540 581 G N -1.914 106.931 108.800 0.075 0.000 2.184 581 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.264 581 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.264 581 G C 0.132 175.060 174.900 0.048 0.000 0.975 581 G CA 0.500 45.632 45.100 0.053 0.000 0.642 581 G HN 0.432 nan 8.290 nan 0.000 0.536 582 L N -0.352 120.903 121.223 0.054 0.000 2.326 582 L HA 0.505 4.845 4.340 -0.000 0.000 0.278 582 L C 1.207 178.091 176.870 0.023 0.000 1.092 582 L CA -0.339 54.523 54.840 0.037 0.000 0.810 582 L CB 1.413 43.494 42.059 0.038 0.000 1.153 582 L HN 0.048 nan 8.230 nan 0.000 0.439 583 K N 2.842 123.250 120.400 0.014 0.000 2.478 583 K HA 0.191 4.510 4.320 -0.000 0.000 0.205 583 K C -0.809 175.785 176.600 -0.010 0.000 1.033 583 K CA -0.142 56.150 56.287 0.009 0.000 1.091 583 K CB 0.506 33.013 32.500 0.012 0.000 0.844 583 K HN 0.540 nan 8.250 nan 0.000 0.507 584 K N -0.456 119.933 120.400 -0.017 0.000 2.894 584 K HA 0.165 4.485 4.320 -0.000 0.000 0.293 584 K C -2.350 174.234 176.600 -0.027 0.000 1.091 584 K CA -0.919 55.342 56.287 -0.043 0.000 0.865 584 K CB 1.049 33.507 32.500 -0.069 0.000 1.441 584 K HN -0.168 nan 8.250 nan 0.000 0.361 585 D N 2.361 122.740 120.400 -0.036 0.000 2.470 585 D HA 0.299 4.939 4.640 -0.000 0.000 0.233 585 D C -2.189 174.098 176.300 -0.023 0.000 1.372 585 D CA -1.915 52.082 54.000 -0.004 0.000 0.994 585 D CB 2.163 42.983 40.800 0.032 0.000 1.377 585 D HN 0.280 nan 8.370 nan 0.000 0.586 586 P HA -0.102 nan 4.420 nan 0.000 0.223 586 P C 1.289 178.585 177.300 -0.007 0.000 1.144 586 P CA 0.805 63.879 63.100 -0.044 0.000 0.783 586 P CB 0.146 31.829 31.700 -0.029 0.000 0.771 587 S N -1.078 114.650 115.700 0.047 0.000 2.507 587 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 587 S C 1.647 176.335 174.600 0.146 0.000 0.988 587 S CA 0.742 59.007 58.200 0.107 0.000 0.944 587 S CB -1.379 61.910 63.200 0.148 0.000 0.762 587 S HN 0.150 nan 8.310 nan 0.000 0.526 588 L N 1.131 122.406 121.223 0.086 0.000 2.509 588 L HA 0.226 4.565 4.340 -0.000 0.000 0.222 588 L C 1.448 178.229 176.870 -0.149 0.000 1.123 588 L CA 0.078 54.967 54.840 0.081 0.000 0.856 588 L CB -0.262 41.837 42.059 0.066 0.000 0.985 588 L HN 0.322 nan 8.230 nan 0.000 0.456 589 S N -0.364 115.224 115.700 -0.186 0.000 2.586 589 S HA 0.295 4.765 4.470 -0.000 0.000 0.274 589 S C 1.070 175.552 174.600 -0.197 0.000 1.281 589 S CA -0.611 57.421 58.200 -0.280 0.000 1.035 589 S CB 1.375 64.413 63.200 -0.271 0.000 0.962 589 S HN 0.163 nan 8.310 nan 0.000 0.512 590 L N 2.957 123.983 121.223 -0.328 0.000 2.131 590 L HA 0.034 4.374 4.340 -0.000 0.000 0.206 590 L C 0.871 177.509 176.870 -0.386 0.000 1.087 590 L CA 1.090 55.655 54.840 -0.457 0.000 0.767 590 L CB -0.248 41.233 42.059 -0.964 0.000 0.917 590 L HN 0.767 nan 8.230 nan 0.000 0.441 591 Y N -2.124 118.172 120.300 -0.007 0.000 2.453 591 Y HA 0.332 4.882 4.550 -0.000 0.000 0.247 591 Y C 2.100 178.014 175.900 0.023 0.000 1.124 591 Y CA -0.207 57.936 58.100 0.071 0.000 1.243 591 Y CB -0.496 38.050 38.460 0.142 0.000 1.213 591 Y HN -0.030 nan 8.280 nan 0.000 0.523 592 A N 0.715 123.556 122.820 0.034 0.000 1.908 592 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 592 A C 1.041 178.656 177.584 0.051 0.000 1.181 592 A CA 1.181 53.213 52.037 -0.009 0.000 0.627 592 A CB -0.646 18.297 19.000 -0.097 0.000 0.818 592 A HN 0.284 nan 8.150 nan 0.000 0.445 593 I N 1.070 121.679 120.570 0.066 0.000 2.412 593 I HA 0.217 4.386 4.170 -0.000 0.000 0.279 593 I C -2.598 173.591 176.117 0.120 0.000 1.063 593 I CA -2.058 59.290 61.300 0.080 0.000 1.193 593 I CB 0.927 38.964 38.000 0.061 0.000 1.370 593 I HN 0.005 nan 8.210 nan 0.000 0.479 594 P HA -0.071 nan 4.420 nan 0.000 0.261 594 P C -0.284 177.100 177.300 0.141 0.000 1.165 594 P CA 0.528 63.734 63.100 0.178 0.000 0.759 594 P CB 0.349 32.142 31.700 0.155 0.000 0.772 595 D N 1.088 121.582 120.400 0.156 0.000 2.914 595 D HA 0.142 4.782 4.640 -0.000 0.000 0.349 595 D C 0.228 176.593 176.300 0.108 0.000 1.540 595 D CA -0.502 53.567 54.000 0.115 0.000 0.778 595 D CB -0.430 40.432 40.800 0.104 0.000 1.213 595 D HN 0.303 nan 8.370 nan 0.000 0.451 596 G N 0.180 109.051 108.800 0.119 0.000 2.370 596 G HA2 0.396 4.356 3.960 -0.000 0.000 0.272 596 G HA3 0.396 4.356 3.960 -0.000 0.000 0.272 596 G C -0.746 174.193 174.900 0.065 0.000 1.208 596 G CA -0.302 44.859 45.100 0.101 0.000 0.856 596 G HN 0.167 nan 8.290 nan 0.000 0.500 597 D N 1.278 121.706 120.400 0.047 0.000 2.375 597 D HA 0.247 4.886 4.640 -0.000 0.000 0.247 597 D C 1.163 177.475 176.300 0.020 0.000 1.061 597 D CA -0.720 53.295 54.000 0.025 0.000 0.834 597 D CB 2.124 42.933 40.800 0.014 0.000 1.247 597 D HN 0.250 nan 8.370 nan 0.000 0.489 598 V N 1.607 121.525 119.914 0.007 0.000 3.354 598 V HA 0.232 4.352 4.120 -0.000 0.000 0.258 598 V C 1.037 177.113 176.094 -0.030 0.000 1.159 598 V CA 0.016 62.314 62.300 -0.002 0.000 1.125 598 V CB -0.800 31.017 31.823 -0.009 0.000 0.774 598 V HN 0.447 nan 8.190 nan 0.000 0.464 599 K N 1.446 121.822 120.400 -0.040 0.000 2.472 599 K HA 0.371 4.691 4.320 -0.000 0.000 0.280 599 K C 1.228 177.791 176.600 -0.061 0.000 1.028 599 K CA 1.186 57.429 56.287 -0.073 0.000 1.045 599 K CB 0.049 32.512 32.500 -0.061 0.000 0.902 599 K HN 0.730 nan 8.250 nan 0.000 0.478 600 G N 3.251 111.987 108.800 -0.108 0.000 2.213 600 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 600 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 600 G C -0.020 174.923 174.900 0.072 0.000 0.991 600 G CA -0.266 44.846 45.100 0.020 0.000 0.629 600 G HN 0.566 nan 8.290 nan 0.000 0.517 601 R N -0.027 120.483 120.500 0.017 0.000 2.649 601 R HA 0.679 5.019 4.340 -0.000 0.000 0.270 601 R C 0.197 176.544 176.300 0.079 0.000 1.105 601 R CA -0.122 56.017 56.100 0.066 0.000 1.193 601 R CB 0.869 31.202 30.300 0.054 0.000 1.120 601 R HN 0.384 nan 8.270 nan 0.000 0.561 602 V N 0.349 120.332 119.914 0.115 0.000 2.876 602 V HA 0.463 4.583 4.120 -0.000 0.000 0.312 602 V C -0.275 175.881 176.094 0.103 0.000 1.085 602 V CA -0.969 61.412 62.300 0.136 0.000 0.945 602 V CB 2.357 34.283 31.823 0.173 0.000 1.017 602 V HN 0.370 nan 8.190 nan 0.000 0.428 603 V N 2.200 122.170 119.914 0.093 0.000 2.540 603 V HA 0.798 4.918 4.120 -0.000 0.000 0.302 603 V C 0.356 176.502 176.094 0.087 0.000 1.035 603 V CA -0.578 61.768 62.300 0.077 0.000 0.873 603 V CB 1.880 33.733 31.823 0.050 0.000 0.992 603 V HN 1.094 nan 8.190 nan 0.000 0.428 604 A N 5.825 128.701 122.820 0.094 0.000 2.331 604 A HA 0.810 5.130 4.320 -0.000 0.000 0.283 604 A C -0.490 177.096 177.584 0.004 0.000 1.142 604 A CA -0.272 51.805 52.037 0.067 0.000 0.812 604 A CB 0.173 19.233 19.000 0.099 0.000 1.074 604 A HN 0.775 nan 8.150 nan 0.000 0.497 605 I N 3.373 123.942 120.570 -0.001 0.000 2.420 605 I HA 0.157 4.327 4.170 -0.000 0.000 0.282 605 I C -1.092 175.029 176.117 0.007 0.000 1.019 605 I CA -0.706 60.597 61.300 0.005 0.000 1.130 605 I CB 1.507 39.525 38.000 0.031 0.000 1.262 605 I HN 0.360 nan 8.210 nan 0.000 0.454 606 L N 7.414 128.624 121.223 -0.022 0.000 2.325 606 L HA 0.342 4.682 4.340 -0.000 0.000 0.284 606 L C 0.197 177.161 176.870 0.157 0.000 1.089 606 L CA 0.263 55.150 54.840 0.077 0.000 0.836 606 L CB 0.155 42.117 42.059 -0.162 0.000 1.184 606 L HN 0.418 nan 8.230 nan 0.000 0.444 607 L N 3.658 125.028 121.223 0.245 0.000 2.468 607 L HA 0.382 4.722 4.340 -0.000 0.000 0.254 607 L C 0.315 177.370 176.870 0.308 0.000 1.171 607 L CA -0.529 54.414 54.840 0.172 0.000 0.809 607 L CB 0.936 43.011 42.059 0.025 0.000 1.155 607 L HN 0.773 nan 8.230 nan 0.000 0.473 608 N N -2.166 116.616 118.700 0.137 0.000 3.038 608 N HA 0.238 4.977 4.740 -0.000 0.000 0.307 608 N C -0.448 175.044 175.510 -0.029 0.000 1.441 608 N CA -0.730 52.454 53.050 0.223 0.000 0.772 608 N CB 0.582 39.184 38.487 0.192 0.000 1.651 608 N HN 0.518 nan 8.380 nan 0.000 0.593 609 D N -2.238 118.188 120.400 0.042 0.000 2.349 609 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 609 D C -0.059 176.207 176.300 -0.057 0.000 1.029 609 D CA 0.618 54.575 54.000 -0.071 0.000 0.879 609 D CB -0.030 40.799 40.800 0.049 0.000 0.906 609 D HN 0.691 nan 8.370 nan 0.000 0.528 610 E N 0.387 120.569 120.200 -0.029 0.000 4.176 610 E HA 0.181 4.531 4.350 -0.000 0.000 0.222 610 E C -1.101 175.486 176.600 -0.021 0.000 1.142 610 E CA -0.492 55.893 56.400 -0.025 0.000 1.400 610 E CB 0.130 29.825 29.700 -0.007 0.000 1.206 610 E HN -0.080 nan 8.360 nan 0.000 0.413 611 V N 1.666 121.559 119.914 -0.034 0.000 2.928 611 V HA -0.035 4.085 4.120 -0.000 0.000 0.307 611 V C 0.840 176.920 176.094 -0.023 0.000 1.105 611 V CA 0.529 62.815 62.300 -0.022 0.000 1.223 611 V CB 0.385 32.188 31.823 -0.032 0.000 0.930 611 V HN 0.466 nan 8.190 nan 0.000 0.499 612 R N 3.552 124.040 120.500 -0.021 0.000 2.309 612 R HA 0.127 4.467 4.340 -0.000 0.000 0.331 612 R C 1.542 177.822 176.300 -0.034 0.000 1.116 612 R CA 0.735 56.817 56.100 -0.029 0.000 0.970 612 R CB 0.307 30.585 30.300 -0.037 0.000 1.024 612 R HN 0.950 nan 8.270 nan 0.000 0.472 613 S N 3.393 119.075 115.700 -0.031 0.000 2.383 613 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 613 S C 1.973 176.554 174.600 -0.032 0.000 1.030 613 S CA 1.012 59.195 58.200 -0.029 0.000 1.002 613 S CB -0.356 62.829 63.200 -0.026 0.000 0.829 613 S HN 0.669 nan 8.310 nan 0.000 0.467 614 A N 2.107 124.905 122.820 -0.037 0.000 1.972 614 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 614 A C 1.984 179.534 177.584 -0.057 0.000 1.169 614 A CA 1.704 53.716 52.037 -0.042 0.000 0.635 614 A CB -0.794 18.179 19.000 -0.044 0.000 0.810 614 A HN 0.530 nan 8.150 nan 0.000 0.446 615 D N -0.293 120.064 120.400 -0.072 0.000 2.117 615 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 615 D C 1.918 178.179 176.300 -0.066 0.000 0.982 615 D CA 0.657 54.594 54.000 -0.106 0.000 0.828 615 D CB -0.322 40.399 40.800 -0.132 0.000 0.967 615 D HN 0.369 nan 8.370 nan 0.000 0.464 616 L N 0.343 121.543 121.223 -0.039 0.000 2.083 616 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 616 L C 2.288 179.153 176.870 -0.009 0.000 1.083 616 L CA 0.689 55.520 54.840 -0.016 0.000 0.752 616 L CB -0.091 41.959 42.059 -0.014 0.000 0.899 616 L HN 0.065 nan 8.230 nan 0.000 0.433 617 L N -0.312 120.901 121.223 -0.016 0.000 2.056 617 L HA -0.115 4.224 4.340 -0.000 0.000 0.207 617 L C 2.654 179.522 176.870 -0.004 0.000 1.078 617 L CA 1.787 56.621 54.840 -0.009 0.000 0.749 617 L CB -0.519 41.532 42.059 -0.013 0.000 0.901 617 L HN 0.194 nan 8.230 nan 0.000 0.433 618 A N -0.462 122.350 122.820 -0.013 0.000 1.902 618 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 618 A C 2.244 179.841 177.584 0.022 0.000 1.181 618 A CA 1.932 53.967 52.037 -0.003 0.000 0.623 618 A CB -0.809 18.175 19.000 -0.026 0.000 0.818 618 A HN 0.441 nan 8.150 nan 0.000 0.443 619 I N -0.149 120.437 120.570 0.027 0.000 2.142 619 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 619 I C 2.332 178.478 176.117 0.047 0.000 1.078 619 I CA 1.286 62.624 61.300 0.065 0.000 1.343 619 I CB -0.331 37.710 38.000 0.069 0.000 1.046 619 I HN 0.289 nan 8.210 nan 0.000 0.405 620 L N 0.448 121.690 121.223 0.030 0.000 2.141 620 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 620 L C 2.585 179.465 176.870 0.018 0.000 1.094 620 L CA 1.256 56.111 54.840 0.024 0.000 0.763 620 L CB -0.668 41.403 42.059 0.020 0.000 0.908 620 L HN 0.283 nan 8.230 nan 0.000 0.437 621 K N 0.829 121.239 120.400 0.016 0.000 2.025 621 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 621 K C 2.182 178.789 176.600 0.012 0.000 1.049 621 K CA 1.356 57.650 56.287 0.012 0.000 0.933 621 K CB -0.048 32.458 32.500 0.010 0.000 0.714 621 K HN 0.216 nan 8.250 nan 0.000 0.438 622 A N 1.325 124.158 122.820 0.021 0.000 1.898 622 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 622 A C 2.128 179.717 177.584 0.008 0.000 1.181 622 A CA 1.126 53.176 52.037 0.021 0.000 0.620 622 A CB -0.567 18.458 19.000 0.041 0.000 0.819 622 A HN 0.315 nan 8.150 nan 0.000 0.442 623 L N -0.514 120.715 121.223 0.010 0.000 2.017 623 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 623 L C 2.662 179.513 176.870 -0.031 0.000 1.073 623 L CA 1.964 56.797 54.840 -0.011 0.000 0.745 623 L CB -0.506 41.554 42.059 0.002 0.000 0.894 623 L HN 0.488 nan 8.230 nan 0.000 0.432 624 K N 0.675 121.066 120.400 -0.016 0.000 2.063 624 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 624 K C 2.095 178.678 176.600 -0.027 0.000 1.048 624 K CA 1.466 57.741 56.287 -0.020 0.000 0.928 624 K CB -0.096 32.404 32.500 -0.001 0.000 0.713 624 K HN 0.265 nan 8.250 nan 0.000 0.442 625 A N 1.213 124.023 122.820 -0.017 0.000 2.019 625 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 625 A C 1.619 179.188 177.584 -0.025 0.000 1.164 625 A CA 1.376 53.404 52.037 -0.016 0.000 0.644 625 A CB -0.140 18.856 19.000 -0.006 0.000 0.805 625 A HN 0.205 nan 8.150 nan 0.000 0.449 626 K N -1.504 118.874 120.400 -0.036 0.000 2.374 626 K HA 0.198 4.518 4.320 -0.000 0.000 0.196 626 K C 1.004 177.558 176.600 -0.077 0.000 1.023 626 K CA 0.662 56.922 56.287 -0.045 0.000 1.103 626 K CB 0.120 32.596 32.500 -0.039 0.000 0.848 626 K HN 0.723 nan 8.250 nan 0.000 0.528 627 G N 1.610 110.349 108.800 -0.102 0.000 2.147 627 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 627 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 627 G C 0.106 174.808 174.900 -0.329 0.000 1.005 627 G CA 0.214 45.211 45.100 -0.171 0.000 0.713 627 G HN 0.119 nan 8.290 nan 0.000 0.515 628 V N 0.972 120.729 119.914 -0.262 0.000 2.465 628 V HA 0.487 4.607 4.120 -0.000 0.000 0.279 628 V C 0.854 176.749 176.094 -0.332 0.000 1.045 628 V CA -0.666 61.466 62.300 -0.281 0.000 0.938 628 V CB 0.999 32.756 31.823 -0.110 0.000 0.986 628 V HN 0.453 nan 8.190 nan 0.000 0.467 629 H N 1.853 120.934 119.070 0.018 0.000 2.509 629 H HA 0.782 5.338 4.556 -0.000 0.000 0.359 629 H C 0.210 175.557 175.328 0.032 0.000 1.253 629 H CA 0.132 56.193 56.048 0.022 0.000 1.373 629 H CB 1.137 30.914 29.762 0.024 0.000 1.555 629 H HN 0.853 nan 8.280 nan 0.000 0.586 630 A N 0.784 123.707 122.820 0.171 0.000 2.498 630 A HA 0.574 4.893 4.320 -0.000 0.000 0.298 630 A C -1.254 176.388 177.584 0.095 0.000 1.075 630 A CA -1.031 51.070 52.037 0.107 0.000 0.714 630 A CB 1.332 20.376 19.000 0.073 0.000 1.299 630 A HN 0.792 nan 8.150 nan 0.000 0.407 631 K N 2.102 122.550 120.400 0.080 0.000 2.578 631 K HA 0.639 4.959 4.320 -0.000 0.000 0.250 631 K C -1.656 174.974 176.600 0.049 0.000 0.955 631 K CA -0.496 55.831 56.287 0.067 0.000 0.825 631 K CB 1.251 33.799 32.500 0.080 0.000 1.151 631 K HN 0.514 nan 8.250 nan 0.000 0.432 632 L N 4.171 125.414 121.223 0.033 0.000 2.315 632 L HA 0.309 4.649 4.340 -0.000 0.000 0.283 632 L C -0.639 176.239 176.870 0.013 0.000 1.089 632 L CA -1.004 53.849 54.840 0.022 0.000 0.833 632 L CB 0.230 42.294 42.059 0.008 0.000 1.170 632 L HN 0.472 nan 8.230 nan 0.000 0.442 633 L N 4.315 125.550 121.223 0.020 0.000 2.334 633 L HA 0.605 4.944 4.340 -0.000 0.000 0.273 633 L C -0.441 176.371 176.870 -0.098 0.000 1.013 633 L CA -0.363 54.448 54.840 -0.048 0.000 0.816 633 L CB 1.537 43.600 42.059 0.007 0.000 1.278 633 L HN 0.357 nan 8.230 nan 0.000 0.431 634 Y N -0.682 119.222 120.300 -0.660 0.000 2.896 634 Y HA 0.317 4.867 4.550 -0.000 0.000 0.317 634 Y C 0.886 176.069 175.900 -1.194 0.000 1.444 634 Y CA -0.535 57.084 58.100 -0.802 0.000 1.084 634 Y CB 1.422 39.713 38.460 -0.282 0.000 1.382 634 Y HN 0.543 nan 8.280 nan 0.000 0.471 635 S N 0.504 115.381 115.700 -1.373 0.000 2.593 635 S HA 0.268 4.738 4.470 -0.000 0.000 0.217 635 S C -0.015 174.335 174.600 -0.416 0.000 0.966 635 S CA 0.302 58.034 58.200 -0.780 0.000 0.914 635 S CB -0.160 62.711 63.200 -0.547 0.000 0.776 635 S HN 0.600 nan 8.310 nan 0.000 0.523 636 R N -1.185 119.140 120.500 -0.292 0.000 2.733 636 R HA 0.618 4.958 4.340 -0.000 0.000 0.272 636 R C -0.882 175.416 176.300 -0.003 0.000 1.029 636 R CA -1.019 55.028 56.100 -0.088 0.000 0.888 636 R CB 0.426 30.717 30.300 -0.015 0.000 1.251 636 R HN -0.103 nan 8.270 nan 0.000 0.464 637 M N 0.331 119.930 119.600 -0.002 0.000 2.114 637 M HA 0.557 5.037 4.480 -0.000 0.000 0.280 637 M C 1.036 177.352 176.300 0.026 0.000 1.209 637 M CA 0.973 56.277 55.300 0.007 0.000 1.044 637 M CB 0.484 33.081 32.600 -0.004 0.000 1.404 637 M HN 1.049 nan 8.290 nan 0.000 0.499 638 G N 0.722 109.529 108.800 0.011 0.000 2.601 638 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.224 638 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.224 638 G C -0.862 174.032 174.900 -0.009 0.000 1.171 638 G CA 0.073 45.176 45.100 0.006 0.000 1.009 638 G HN 0.987 nan 8.290 nan 0.000 0.589 639 E N -1.488 118.698 120.200 -0.024 0.000 2.412 639 E HA 0.656 5.005 4.350 -0.000 0.000 0.279 639 E C -0.670 175.865 176.600 -0.107 0.000 0.984 639 E CA -0.628 55.737 56.400 -0.059 0.000 0.788 639 E CB 2.303 31.977 29.700 -0.042 0.000 1.277 639 E HN 1.718 nan 8.360 nan 0.000 0.455 640 V N -1.758 118.060 119.914 -0.160 0.000 3.001 640 V HA 0.733 4.853 4.120 -0.000 0.000 0.314 640 V C -0.477 175.538 176.094 -0.132 0.000 1.099 640 V CA -0.721 61.454 62.300 -0.209 0.000 0.989 640 V CB 1.716 33.295 31.823 -0.407 0.000 1.040 640 V HN 0.756 nan 8.190 nan 0.000 0.434 641 T N 2.531 117.020 114.554 -0.109 0.000 2.779 641 T HA 0.772 5.122 4.350 -0.000 0.000 0.280 641 T C 0.403 175.063 174.700 -0.067 0.000 0.987 641 T CA 0.322 62.379 62.100 -0.071 0.000 0.966 641 T CB 1.360 70.198 68.868 -0.050 0.000 0.933 641 T HN 1.334 nan 8.240 nan 0.000 0.442 642 A N 2.617 125.404 122.820 -0.055 0.000 2.262 642 A HA 0.329 4.649 4.320 -0.000 0.000 0.273 642 A C 1.577 179.140 177.584 -0.035 0.000 1.202 642 A CA -0.066 51.944 52.037 -0.046 0.000 0.811 642 A CB -0.046 18.931 19.000 -0.038 0.000 1.159 642 A HN 0.897 nan 8.150 nan 0.000 0.505 643 D N -0.022 120.360 120.400 -0.029 0.000 2.084 643 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 643 D C 0.850 177.137 176.300 -0.022 0.000 0.990 643 D CA 1.579 55.565 54.000 -0.023 0.000 0.826 643 D CB -0.765 40.023 40.800 -0.022 0.000 0.971 643 D HN 0.597 nan 8.370 nan 0.000 0.453 644 D N -0.686 119.701 120.400 -0.022 0.000 2.358 644 D HA 0.102 4.742 4.640 -0.000 0.000 0.241 644 D C 1.606 177.895 176.300 -0.019 0.000 1.094 644 D CA 0.783 54.772 54.000 -0.019 0.000 0.907 644 D CB -0.449 40.340 40.800 -0.018 0.000 0.893 644 D HN 0.527 nan 8.370 nan 0.000 0.528 645 G N -0.549 108.238 108.800 -0.021 0.000 2.176 645 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 645 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 645 G C 0.401 175.287 174.900 -0.023 0.000 0.979 645 G CA 0.291 45.378 45.100 -0.021 0.000 0.641 645 G HN 0.474 nan 8.290 nan 0.000 0.530 646 T N 1.171 115.710 114.554 -0.025 0.000 2.888 646 T HA 0.411 4.761 4.350 -0.000 0.000 0.301 646 T C 0.691 175.372 174.700 -0.032 0.000 1.001 646 T CA 0.057 62.142 62.100 -0.025 0.000 1.147 646 T CB 2.131 70.985 68.868 -0.024 0.000 0.931 646 T HN 0.431 nan 8.240 nan 0.000 0.541 647 V N 5.208 125.104 119.914 -0.029 0.000 2.461 647 V HA 0.226 4.345 4.120 -0.000 0.000 0.275 647 V C -0.181 175.891 176.094 -0.037 0.000 1.047 647 V CA -0.681 61.597 62.300 -0.035 0.000 0.955 647 V CB 0.910 32.716 31.823 -0.028 0.000 0.988 647 V HN 0.549 nan 8.190 nan 0.000 0.471 648 L N 8.977 130.168 121.223 -0.053 0.000 2.295 648 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 648 L C -2.251 174.585 176.870 -0.057 0.000 1.018 648 L CA -2.443 52.364 54.840 -0.054 0.000 0.841 648 L CB 1.480 43.494 42.059 -0.075 0.000 1.218 648 L HN 0.421 nan 8.230 nan 0.000 0.424 649 P HA 0.234 nan 4.420 nan 0.000 0.276 649 P C -0.232 177.053 177.300 -0.025 0.000 1.243 649 P CA -0.115 62.969 63.100 -0.027 0.000 0.768 649 P CB 0.672 32.364 31.700 -0.013 0.000 0.856 650 I N 2.514 123.070 120.570 -0.024 0.000 2.371 650 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 650 I C 1.578 177.691 176.117 -0.007 0.000 1.028 650 I CA -0.231 61.060 61.300 -0.015 0.000 1.345 650 I CB 1.216 39.214 38.000 -0.003 0.000 1.407 650 I HN 0.366 nan 8.210 nan 0.000 0.501 651 A N 5.370 128.189 122.820 -0.002 0.000 1.935 651 A HA 0.550 4.869 4.320 -0.000 0.000 0.214 651 A C 1.006 178.593 177.584 0.004 0.000 1.178 651 A CA 1.246 53.287 52.037 0.007 0.000 0.640 651 A CB 0.032 19.044 19.000 0.020 0.000 0.825 651 A HN 0.801 nan 8.150 nan 0.000 0.447 652 A N -2.031 120.784 122.820 -0.008 0.000 2.564 652 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 652 A C -0.051 177.486 177.584 -0.078 0.000 1.102 652 A CA 0.114 52.142 52.037 -0.015 0.000 0.660 652 A CB -0.180 18.836 19.000 0.026 0.000 1.283 652 A HN 0.726 nan 8.150 nan 0.000 0.430 653 T N -1.728 112.774 114.554 -0.088 0.000 2.847 653 T HA 0.564 4.914 4.350 -0.000 0.000 0.279 653 T C 0.883 175.518 174.700 -0.107 0.000 0.984 653 T CA -0.032 61.942 62.100 -0.210 0.000 0.988 653 T CB 0.141 68.927 68.868 -0.138 0.000 1.040 653 T HN 0.459 nan 8.240 nan 0.000 0.528 654 F N 0.545 120.525 119.950 0.051 0.000 2.126 654 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 654 F C 2.939 178.867 175.800 0.213 0.000 1.096 654 F CA 1.067 59.158 58.000 0.152 0.000 1.255 654 F CB -0.687 38.382 39.000 0.116 0.000 0.997 654 F HN 0.703 nan 8.300 nan 0.000 0.479 655 A N 0.256 123.233 122.820 0.262 0.000 1.970 655 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 655 A C 2.419 180.067 177.584 0.106 0.000 1.170 655 A CA 1.339 53.472 52.037 0.160 0.000 0.645 655 A CB -1.375 17.680 19.000 0.092 0.000 0.816 655 A HN 0.389 nan 8.150 nan 0.000 0.447 656 G N -1.094 107.758 108.800 0.086 0.000 2.484 656 G HA2 0.307 4.266 3.960 -0.000 0.000 0.218 656 G HA3 0.307 4.266 3.960 -0.000 0.000 0.218 656 G C 0.572 175.521 174.900 0.082 0.000 1.130 656 G CA 0.964 46.099 45.100 0.059 0.000 0.784 656 G HN 1.117 nan 8.290 nan 0.000 0.543 657 A N 0.573 123.478 122.820 0.141 0.000 3.127 657 A HA 0.685 5.005 4.320 -0.000 0.000 0.319 657 A C -2.777 174.961 177.584 0.257 0.000 1.104 657 A CA -1.053 51.083 52.037 0.164 0.000 0.802 657 A CB 1.321 20.414 19.000 0.154 0.000 1.193 657 A HN 0.066 nan 8.150 nan 0.000 0.479 658 P HA 0.064 nan 4.420 nan 0.000 0.271 658 P C 1.401 178.541 177.300 -0.267 0.000 1.233 658 P CA 0.399 63.440 63.100 -0.098 0.000 0.789 658 P CB 0.744 32.379 31.700 -0.108 0.000 0.951 659 S N 0.480 115.673 115.700 -0.845 0.000 2.419 659 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 659 S C 1.793 176.273 174.600 -0.200 0.000 1.019 659 S CA 1.201 59.066 58.200 -0.557 0.000 0.982 659 S CB -1.200 61.615 63.200 -0.642 0.000 0.789 659 S HN 0.176 nan 8.310 nan 0.000 0.490 660 L N 2.657 123.763 121.223 -0.196 0.000 2.137 660 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 660 L C 2.882 179.606 176.870 -0.243 0.000 1.085 660 L CA 2.212 56.930 54.840 -0.202 0.000 0.760 660 L CB -1.776 40.141 42.059 -0.237 0.000 0.893 660 L HN 0.791 nan 8.230 nan 0.000 0.434 661 T N -4.165 110.320 114.554 -0.116 0.000 3.107 661 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 661 T C 0.463 175.278 174.700 0.192 0.000 1.096 661 T CA 0.398 62.524 62.100 0.043 0.000 1.012 661 T CB -0.434 68.535 68.868 0.168 0.000 0.977 661 T HN 0.072 nan 8.240 nan 0.000 0.527 662 V N -2.511 117.475 119.914 0.119 0.000 3.158 662 V HA 0.585 4.705 4.120 -0.000 0.000 0.315 662 V C -0.124 176.028 176.094 0.097 0.000 1.148 662 V CA -0.948 61.440 62.300 0.146 0.000 1.042 662 V CB 2.063 33.983 31.823 0.162 0.000 1.101 662 V HN 0.011 nan 8.190 nan 0.000 0.448 663 D N 0.681 121.135 120.400 0.090 0.000 2.392 663 D HA 0.506 5.145 4.640 -0.000 0.000 0.206 663 D C 0.530 176.825 176.300 -0.008 0.000 1.046 663 D CA 1.375 55.401 54.000 0.044 0.000 0.865 663 D CB 1.556 42.401 40.800 0.075 0.000 0.969 663 D HN 0.958 nan 8.370 nan 0.000 0.509 664 A N 0.200 123.030 122.820 0.018 0.000 2.601 664 A HA 0.566 4.886 4.320 -0.000 0.000 0.291 664 A C -1.563 176.041 177.584 0.033 0.000 1.075 664 A CA -0.535 51.497 52.037 -0.008 0.000 0.671 664 A CB 1.621 20.602 19.000 -0.032 0.000 1.277 664 A HN -0.102 nan 8.150 nan 0.000 0.417 665 V N 0.873 120.796 119.914 0.016 0.000 2.638 665 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 665 V C -0.816 175.277 176.094 -0.001 0.000 1.052 665 V CA -0.195 62.121 62.300 0.027 0.000 0.885 665 V CB 1.589 33.444 31.823 0.055 0.000 0.999 665 V HN 0.705 nan 8.190 nan 0.000 0.424 666 I N 4.096 124.672 120.570 0.009 0.000 2.498 666 I HA 0.559 4.729 4.170 -0.000 0.000 0.290 666 I C -0.949 175.191 176.117 0.039 0.000 1.032 666 I CA -0.925 60.410 61.300 0.058 0.000 1.073 666 I CB 2.364 40.430 38.000 0.110 0.000 1.251 666 I HN 0.292 nan 8.210 nan 0.000 0.426 667 V N 7.455 127.410 119.914 0.067 0.000 2.326 667 V HA 0.373 4.493 4.120 -0.000 0.000 0.281 667 V C -2.166 173.984 176.094 0.094 0.000 1.015 667 V CA -1.577 60.752 62.300 0.048 0.000 0.823 667 V CB 1.250 33.081 31.823 0.014 0.000 1.009 667 V HN 0.545 nan 8.190 nan 0.000 0.436 668 P HA 0.255 nan 4.420 nan 0.000 0.276 668 P C 0.235 177.553 177.300 0.029 0.000 1.252 668 P CA -0.274 62.837 63.100 0.019 0.000 0.802 668 P CB 1.322 33.023 31.700 0.001 0.000 1.035 669 C N 0.395 119.690 119.300 -0.009 0.000 2.820 669 C HA 0.708 5.168 4.460 -0.000 0.000 0.287 669 C C 1.366 176.362 174.990 0.011 0.000 1.664 669 C CA 1.547 60.568 59.018 0.005 0.000 2.071 669 C CB -0.698 27.027 27.740 -0.024 0.000 2.008 669 C HN 0.936 nan 8.230 nan 0.000 0.619 670 G N 0.450 109.255 108.800 0.008 0.000 2.225 670 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.203 670 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.203 670 G C -0.592 174.317 174.900 0.016 0.000 1.335 670 G CA 0.076 45.181 45.100 0.007 0.000 1.183 670 G HN 1.029 nan 8.290 nan 0.000 0.488 671 N N 1.529 120.244 118.700 0.026 0.000 2.968 671 N HA 0.160 4.899 4.740 -0.000 0.000 0.271 671 N C 1.341 176.881 175.510 0.050 0.000 1.174 671 N CA -0.615 52.453 53.050 0.030 0.000 1.096 671 N CB -0.151 38.356 38.487 0.033 0.000 1.403 671 N HN 0.373 nan 8.380 nan 0.000 0.522 672 I N 1.898 122.487 120.570 0.032 0.000 2.700 672 I HA -0.197 3.972 4.170 -0.000 0.000 0.261 672 I C 2.290 178.402 176.117 -0.009 0.000 1.219 672 I CA 0.635 61.952 61.300 0.028 0.000 1.463 672 I CB -1.354 36.632 38.000 -0.024 0.000 1.092 672 I HN 0.473 nan 8.210 nan 0.000 0.452 673 A N 0.590 123.403 122.820 -0.011 0.000 2.067 673 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 673 A C 2.070 179.671 177.584 0.028 0.000 1.158 673 A CA 1.759 53.787 52.037 -0.015 0.000 0.661 673 A CB -0.557 18.436 19.000 -0.012 0.000 0.801 673 A HN 0.414 nan 8.150 nan 0.000 0.452 674 D N 0.580 121.025 120.400 0.075 0.000 2.117 674 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 674 D C 1.523 177.904 176.300 0.136 0.000 0.987 674 D CA 1.799 55.871 54.000 0.120 0.000 0.829 674 D CB -0.199 40.710 40.800 0.182 0.000 0.961 674 D HN 0.621 nan 8.370 nan 0.000 0.460 675 I N -3.809 116.862 120.570 0.168 0.000 4.139 675 I HA 0.490 4.660 4.170 -0.000 0.000 0.335 675 I C 1.958 178.203 176.117 0.215 0.000 1.327 675 I CA -0.053 61.370 61.300 0.205 0.000 1.112 675 I CB 0.093 38.261 38.000 0.280 0.000 1.058 675 I HN -0.084 nan 8.210 nan 0.000 0.396 676 A N 2.023 124.874 122.820 0.053 0.000 1.958 676 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 676 A C 1.542 179.100 177.584 -0.044 0.000 1.178 676 A CA 2.253 54.182 52.037 -0.180 0.000 0.642 676 A CB -0.571 18.273 19.000 -0.261 0.000 0.816 676 A HN 0.605 nan 8.150 nan 0.000 0.453 677 D N -0.720 119.687 120.400 0.011 0.000 2.501 677 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 677 D C -0.158 176.173 176.300 0.052 0.000 1.198 677 D CA -0.291 53.723 54.000 0.024 0.000 0.830 677 D CB -0.253 40.550 40.800 0.003 0.000 1.014 677 D HN 0.353 nan 8.370 nan 0.000 0.496 678 N N 1.302 120.051 118.700 0.082 0.000 2.411 678 N HA 0.035 4.775 4.740 -0.000 0.000 0.259 678 N C 1.357 176.905 175.510 0.062 0.000 1.103 678 N CA -0.034 53.059 53.050 0.071 0.000 0.954 678 N CB 1.578 40.117 38.487 0.086 0.000 1.085 678 N HN 0.010 nan 8.380 nan 0.000 0.485 679 G N 3.240 112.074 108.800 0.056 0.000 2.440 679 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 679 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 679 G C 0.941 175.887 174.900 0.076 0.000 1.154 679 G CA 0.633 45.767 45.100 0.057 0.000 0.767 679 G HN 0.688 nan 8.290 nan 0.000 0.552 680 D N 1.119 121.569 120.400 0.083 0.000 2.144 680 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 680 D C 2.840 179.138 176.300 -0.003 0.000 0.978 680 D CA 1.112 55.190 54.000 0.129 0.000 0.833 680 D CB -0.282 40.656 40.800 0.230 0.000 0.961 680 D HN 0.339 nan 8.370 nan 0.000 0.470 681 A N 1.809 124.483 122.820 -0.243 0.000 1.858 681 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 681 A C 2.059 179.441 177.584 -0.338 0.000 1.190 681 A CA 1.296 52.954 52.037 -0.631 0.000 0.617 681 A CB -0.531 18.111 19.000 -0.597 0.000 0.827 681 A HN 0.133 nan 8.150 nan 0.000 0.443 682 N N -1.603 117.043 118.700 -0.090 0.000 2.120 682 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 682 N C 1.695 177.195 175.510 -0.017 0.000 1.024 682 N CA 1.807 54.855 53.050 -0.004 0.000 0.852 682 N CB -0.466 38.092 38.487 0.119 0.000 1.003 682 N HN 0.691 nan 8.380 nan 0.000 0.424 683 Y N 0.519 120.783 120.300 -0.059 0.000 2.242 683 Y HA -0.258 4.292 4.550 -0.000 0.000 0.291 683 Y C 2.371 178.223 175.900 -0.080 0.000 1.137 683 Y CA 1.164 59.227 58.100 -0.062 0.000 1.181 683 Y CB -0.362 38.068 38.460 -0.050 0.000 0.989 683 Y HN 0.015 nan 8.280 nan 0.000 0.527 684 Y N -0.184 120.006 120.300 -0.185 0.000 2.102 684 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 684 Y C 2.037 177.750 175.900 -0.311 0.000 1.178 684 Y CA 1.949 59.906 58.100 -0.237 0.000 1.146 684 Y CB -0.517 37.791 38.460 -0.252 0.000 0.968 684 Y HN 0.162 nan 8.280 nan 0.000 0.504 685 L N -0.746 120.410 121.223 -0.110 0.000 2.109 685 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 685 L C 2.323 179.081 176.870 -0.188 0.000 1.086 685 L CA 1.650 56.404 54.840 -0.143 0.000 0.760 685 L CB -1.036 40.896 42.059 -0.211 0.000 0.910 685 L HN 0.306 nan 8.230 nan 0.000 0.437 686 M N -1.241 118.191 119.600 -0.279 0.000 2.175 686 M HA -0.206 4.273 4.480 -0.000 0.000 0.264 686 M C 2.174 178.226 176.300 -0.413 0.000 1.063 686 M CA 1.497 56.622 55.300 -0.292 0.000 1.119 686 M CB -0.392 32.036 32.600 -0.286 0.000 1.377 686 M HN 0.252 nan 8.290 nan 0.000 0.415 687 E N 0.765 120.531 120.200 -0.723 0.000 2.051 687 E HA -0.191 4.158 4.350 -0.000 0.000 0.192 687 E C 2.038 178.290 176.600 -0.579 0.000 0.991 687 E CA 1.360 57.297 56.400 -0.772 0.000 0.799 687 E CB 0.005 29.210 29.700 -0.826 0.000 0.748 687 E HN 0.465 nan 8.360 nan 0.000 0.449 688 A N 0.288 122.889 122.820 -0.365 0.000 1.908 688 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 688 A C 2.050 179.541 177.584 -0.154 0.000 1.181 688 A CA 1.577 53.495 52.037 -0.199 0.000 0.627 688 A CB -0.933 18.012 19.000 -0.092 0.000 0.818 688 A HN 0.577 nan 8.150 nan 0.000 0.445 689 Y N 0.505 120.652 120.300 -0.254 0.000 2.163 689 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 689 Y C 2.402 178.176 175.900 -0.209 0.000 1.136 689 Y CA 2.317 60.295 58.100 -0.203 0.000 1.147 689 Y CB -0.206 38.150 38.460 -0.174 0.000 0.987 689 Y HN 0.325 nan 8.280 nan 0.000 0.509 690 K N -0.592 119.695 120.400 -0.188 0.000 2.103 690 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 690 K C 1.051 177.525 176.600 -0.209 0.000 1.048 690 K CA 2.067 58.208 56.287 -0.243 0.000 0.930 690 K CB -0.461 31.849 32.500 -0.316 0.000 0.716 690 K HN 0.581 nan 8.250 nan 0.000 0.444 691 H N 0.385 119.342 119.070 -0.189 0.000 2.536 691 H HA 0.184 4.739 4.556 -0.000 0.000 0.276 691 H C -0.038 175.134 175.328 -0.260 0.000 1.019 691 H CA 0.187 56.119 56.048 -0.194 0.000 1.159 691 H CB 0.097 29.743 29.762 -0.193 0.000 1.373 691 H HN 0.125 nan 8.280 nan 0.000 0.584 692 L N 0.023 121.103 121.223 -0.238 0.000 4.089 692 L HA -0.275 4.065 4.340 -0.000 0.000 0.408 692 L C -0.315 176.303 176.870 -0.420 0.000 1.184 692 L CA 0.574 55.183 54.840 -0.385 0.000 0.947 692 L CB -1.680 40.124 42.059 -0.425 0.000 2.066 692 L HN 0.313 nan 8.230 nan 0.000 0.851 693 K N 0.895 121.117 120.400 -0.297 0.000 2.144 693 K HA 0.460 4.780 4.320 -0.000 0.000 0.270 693 K C -2.110 174.360 176.600 -0.218 0.000 1.005 693 K CA -1.779 54.352 56.287 -0.259 0.000 0.932 693 K CB 0.658 33.063 32.500 -0.159 0.000 1.021 693 K HN -0.203 nan 8.250 nan 0.000 0.462 694 P HA 0.042 nan 4.420 nan 0.000 0.265 694 P C -0.739 176.497 177.300 -0.108 0.000 1.193 694 P CA 0.441 63.442 63.100 -0.164 0.000 0.765 694 P CB 0.396 31.999 31.700 -0.162 0.000 0.823 695 I N 1.796 122.315 120.570 -0.085 0.000 2.545 695 I HA 0.631 4.800 4.170 -0.000 0.000 0.292 695 I C -0.265 175.802 176.117 -0.083 0.000 1.040 695 I CA -0.924 60.344 61.300 -0.053 0.000 1.068 695 I CB 2.243 40.240 38.000 -0.005 0.000 1.251 695 I HN 0.259 nan 8.210 nan 0.000 0.424 696 A N 7.539 130.316 122.820 -0.071 0.000 2.343 696 A HA 0.860 5.180 4.320 -0.000 0.000 0.308 696 A C -1.126 176.538 177.584 0.133 0.000 1.092 696 A CA -0.423 51.544 52.037 -0.117 0.000 0.751 696 A CB 0.972 19.747 19.000 -0.375 0.000 1.203 696 A HN 0.658 nan 8.150 nan 0.000 0.452 697 L N 2.222 123.575 121.223 0.216 0.000 2.356 697 L HA 0.745 5.084 4.340 -0.000 0.000 0.277 697 L C 0.290 177.368 176.870 0.347 0.000 0.996 697 L CA -0.570 54.427 54.840 0.261 0.000 0.822 697 L CB 2.003 44.164 42.059 0.170 0.000 1.256 697 L HN 0.777 nan 8.230 nan 0.000 0.413 698 A N 2.251 125.192 122.820 0.201 0.000 2.317 698 A HA 0.859 5.178 4.320 -0.000 0.000 0.327 698 A C 0.616 178.199 177.584 -0.001 0.000 1.178 698 A CA 0.269 52.301 52.037 -0.009 0.000 0.817 698 A CB 1.192 19.993 19.000 -0.331 0.000 1.189 698 A HN 0.982 nan 8.150 nan 0.000 0.489 699 G N 1.826 110.614 108.800 -0.020 0.000 2.611 699 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.301 699 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.301 699 G C 0.475 175.378 174.900 0.005 0.000 1.233 699 G CA 0.819 45.910 45.100 -0.016 0.000 0.993 699 G HN 0.722 nan 8.290 nan 0.000 0.553 700 D N 1.283 121.681 120.400 -0.004 0.000 2.351 700 D HA 0.179 4.819 4.640 -0.000 0.000 0.216 700 D C 2.540 178.836 176.300 -0.007 0.000 0.968 700 D CA 1.540 55.531 54.000 -0.016 0.000 0.899 700 D CB -0.634 40.150 40.800 -0.027 0.000 0.907 700 D HN 0.808 nan 8.370 nan 0.000 0.514 701 A N 0.435 123.293 122.820 0.063 0.000 2.121 701 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 701 A C 2.041 179.732 177.584 0.179 0.000 1.154 701 A CA 0.663 52.812 52.037 0.186 0.000 0.679 701 A CB -0.341 18.790 19.000 0.218 0.000 0.795 701 A HN 0.123 nan 8.150 nan 0.000 0.458 702 R N -0.296 120.256 120.500 0.087 0.000 2.293 702 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 702 R C 1.620 177.929 176.300 0.014 0.000 1.091 702 R CA 1.178 57.318 56.100 0.066 0.000 1.004 702 R CB -0.157 30.170 30.300 0.044 0.000 0.865 702 R HN 0.507 nan 8.270 nan 0.000 0.469 703 K N -0.384 119.979 120.400 -0.061 0.000 2.283 703 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 703 K C 1.146 177.625 176.600 -0.202 0.000 1.048 703 K CA 1.039 57.229 56.287 -0.163 0.000 0.948 703 K CB 0.014 32.361 32.500 -0.255 0.000 0.742 703 K HN 0.149 nan 8.250 nan 0.000 0.458 704 F N 1.331 121.257 119.950 -0.040 0.000 2.604 704 F HA -0.052 4.474 4.527 -0.000 0.000 0.298 704 F C 1.798 177.551 175.800 -0.079 0.000 1.131 704 F CA 0.672 58.636 58.000 -0.059 0.000 1.457 704 F CB 0.035 38.998 39.000 -0.061 0.000 1.095 704 F HN -0.089 nan 8.300 nan 0.000 0.574 705 K N 0.293 120.737 120.400 0.072 0.000 2.152 705 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 705 K C 2.288 178.861 176.600 -0.046 0.000 1.048 705 K CA 1.101 57.386 56.287 -0.004 0.000 0.933 705 K CB -0.305 32.190 32.500 -0.009 0.000 0.721 705 K HN 0.268 nan 8.250 nan 0.000 0.447 706 A N 0.397 123.197 122.820 -0.033 0.000 1.969 706 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 706 A C 2.194 179.750 177.584 -0.047 0.000 1.169 706 A CA 2.000 54.009 52.037 -0.046 0.000 0.635 706 A CB -0.750 18.221 19.000 -0.048 0.000 0.810 706 A HN 0.307 nan 8.150 nan 0.000 0.445 707 T N 0.192 114.737 114.554 -0.015 0.000 2.867 707 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 707 T C 1.319 175.953 174.700 -0.110 0.000 1.057 707 T CA 1.400 63.488 62.100 -0.020 0.000 1.136 707 T CB -0.531 68.372 68.868 0.059 0.000 0.874 707 T HN 0.610 nan 8.240 nan 0.000 0.466 708 I N -2.441 118.006 120.570 -0.206 0.000 3.884 708 I HA 0.475 4.644 4.170 -0.000 0.000 0.330 708 I C -0.153 175.712 176.117 -0.420 0.000 1.451 708 I CA -0.610 60.423 61.300 -0.444 0.000 1.165 708 I CB -0.016 37.495 38.000 -0.816 0.000 1.097 708 I HN -0.102 nan 8.210 nan 0.000 0.404 709 K N 1.633 121.907 120.400 -0.210 0.000 3.150 709 K HA -0.104 4.215 4.320 -0.000 0.000 0.267 709 K C -0.491 176.037 176.600 -0.120 0.000 1.028 709 K CA 0.577 56.785 56.287 -0.132 0.000 0.753 709 K CB -1.712 30.729 32.500 -0.098 0.000 1.288 709 K HN 0.438 nan 8.250 nan 0.000 0.473 710 I N 0.275 120.774 120.570 -0.119 0.000 2.440 710 I HA 0.400 4.570 4.170 -0.000 0.000 0.294 710 I C 1.326 177.423 176.117 -0.033 0.000 0.995 710 I CA -1.191 60.068 61.300 -0.068 0.000 1.306 710 I CB 0.982 38.944 38.000 -0.063 0.000 1.407 710 I HN 0.292 nan 8.210 nan 0.000 0.501 711 A N 4.411 127.223 122.820 -0.013 0.000 2.313 711 A HA 0.191 4.511 4.320 -0.000 0.000 0.261 711 A C 0.955 178.536 177.584 -0.005 0.000 1.090 711 A CA -0.281 51.751 52.037 -0.007 0.000 0.807 711 A CB 0.138 19.138 19.000 0.001 0.000 1.055 711 A HN 0.752 nan 8.150 nan 0.000 0.492 712 D N 0.103 120.501 120.400 -0.004 0.000 2.182 712 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 712 D C 2.115 178.416 176.300 0.003 0.000 0.986 712 D CA 1.995 55.994 54.000 -0.002 0.000 0.847 712 D CB -0.163 40.635 40.800 -0.003 0.000 0.942 712 D HN 0.804 nan 8.370 nan 0.000 0.467 713 Q N 0.285 120.087 119.800 0.004 0.000 2.291 713 Q HA 0.091 4.431 4.340 -0.000 0.000 0.205 713 Q C 0.963 176.968 176.000 0.007 0.000 0.970 713 Q CA 1.040 56.847 55.803 0.006 0.000 0.876 713 Q CB -0.030 28.711 28.738 0.006 0.000 0.935 713 Q HN 0.125 nan 8.270 nan 0.000 0.455 714 G N 1.220 110.025 108.800 0.008 0.000 2.603 714 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 714 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 714 G C -1.363 173.544 174.900 0.011 0.000 1.286 714 G CA -0.306 44.800 45.100 0.009 0.000 0.871 714 G HN 0.581 nan 8.290 nan 0.000 0.568 715 E N -0.622 119.586 120.200 0.013 0.000 2.372 715 E HA 0.567 4.916 4.350 -0.000 0.000 0.279 715 E C -0.702 175.897 176.600 -0.002 0.000 0.946 715 E CA -1.038 55.371 56.400 0.015 0.000 0.769 715 E CB 1.577 31.301 29.700 0.040 0.000 1.230 715 E HN 0.399 nan 8.360 nan 0.000 0.442 716 E N 1.104 121.294 120.200 -0.016 0.000 2.415 716 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 716 E C 0.786 177.348 176.600 -0.063 0.000 0.995 716 E CA 1.543 57.918 56.400 -0.041 0.000 0.915 716 E CB 1.114 30.789 29.700 -0.042 0.000 0.951 716 E HN 0.935 nan 8.360 nan 0.000 0.449 717 G N 2.986 111.736 108.800 -0.085 0.000 2.238 717 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 717 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 717 G C 0.139 174.991 174.900 -0.080 0.000 0.996 717 G CA -0.415 44.616 45.100 -0.116 0.000 0.632 717 G HN 0.417 nan 8.290 nan 0.000 0.503 718 I N 2.533 123.079 120.570 -0.040 0.000 2.359 718 I HA 0.455 4.625 4.170 -0.000 0.000 0.284 718 I C 0.555 176.635 176.117 -0.063 0.000 1.018 718 I CA -1.077 60.208 61.300 -0.025 0.000 1.173 718 I CB 1.093 39.108 38.000 0.025 0.000 1.326 718 I HN -0.083 nan 8.210 nan 0.000 0.462 719 V N 7.660 127.497 119.914 -0.129 0.000 2.530 719 V HA 0.318 4.438 4.120 -0.000 0.000 0.282 719 V C 0.365 176.398 176.094 -0.101 0.000 1.048 719 V CA -0.361 61.818 62.300 -0.202 0.000 0.997 719 V CB 1.019 32.565 31.823 -0.462 0.000 0.987 719 V HN 0.845 nan 8.190 nan 0.000 0.477 720 E N 4.115 124.323 120.200 0.013 0.000 2.383 720 E HA 0.907 5.257 4.350 -0.000 0.000 0.275 720 E C -0.911 175.823 176.600 0.224 0.000 0.918 720 E CA -1.026 55.471 56.400 0.161 0.000 0.764 720 E CB 2.665 32.421 29.700 0.094 0.000 1.252 720 E HN 0.846 nan 8.360 nan 0.000 0.449 721 A N 1.359 124.327 122.820 0.247 0.000 2.490 721 A HA 0.272 4.592 4.320 -0.000 0.000 0.292 721 A C -0.663 176.956 177.584 0.057 0.000 1.047 721 A CA -0.543 51.590 52.037 0.161 0.000 0.632 721 A CB 0.761 19.907 19.000 0.242 0.000 1.323 721 A HN 0.618 nan 8.150 nan 0.000 0.448 722 D N 0.434 120.840 120.400 0.011 0.000 2.144 722 D HA 0.039 4.679 4.640 -0.000 0.000 0.200 722 D C 1.088 177.339 176.300 -0.081 0.000 0.978 722 D CA 2.261 56.246 54.000 -0.025 0.000 0.833 722 D CB 0.045 40.833 40.800 -0.020 0.000 0.961 722 D HN 0.796 nan 8.370 nan 0.000 0.470 723 S N -1.355 114.263 115.700 -0.136 0.000 2.627 723 S HA 0.645 5.114 4.470 -0.000 0.000 0.283 723 S C -0.133 174.184 174.600 -0.471 0.000 1.127 723 S CA -0.729 57.336 58.200 -0.226 0.000 0.863 723 S CB 2.236 65.350 63.200 -0.143 0.000 1.121 723 S HN 0.003 nan 8.310 nan 0.000 0.479 724 A N 0.944 123.415 122.820 -0.583 0.000 2.604 724 A HA 0.498 4.818 4.320 -0.000 0.000 0.248 724 A C 0.162 177.478 177.584 -0.447 0.000 1.466 724 A CA 0.158 51.615 52.037 -0.967 0.000 1.222 724 A CB -1.347 17.277 19.000 -0.627 0.000 0.945 724 A HN 0.780 nan 8.150 nan 0.000 0.600 725 D N -2.556 117.703 120.400 -0.234 0.000 4.052 725 D HA 0.468 5.108 4.640 -0.000 0.000 0.347 725 D C 0.906 177.241 176.300 0.058 0.000 1.574 725 D CA 0.985 54.988 54.000 0.004 0.000 0.972 725 D CB -0.091 40.716 40.800 0.013 0.000 1.472 725 D HN 0.815 nan 8.370 nan 0.000 0.623 726 G N 0.435 109.262 108.800 0.045 0.000 2.559 726 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.282 726 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.282 726 G C 0.687 175.632 174.900 0.074 0.000 1.177 726 G CA 1.503 46.631 45.100 0.047 0.000 0.960 726 G HN 1.175 nan 8.290 nan 0.000 0.540 727 S N 0.210 115.963 115.700 0.089 0.000 2.577 727 S HA 0.440 4.909 4.470 -0.000 0.000 0.219 727 S C 1.708 176.382 174.600 0.122 0.000 0.962 727 S CA 0.963 59.212 58.200 0.083 0.000 0.921 727 S CB 0.121 63.352 63.200 0.051 0.000 0.789 727 S HN 1.173 nan 8.310 nan 0.000 0.497 728 F N 2.624 122.572 119.950 -0.004 0.000 2.102 728 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 728 F C 2.080 177.877 175.800 -0.006 0.000 1.105 728 F CA 1.543 59.541 58.000 -0.004 0.000 1.239 728 F CB -0.226 38.773 39.000 -0.002 0.000 0.991 728 F HN 0.171 nan 8.300 nan 0.000 0.474 729 M N 0.003 119.757 119.600 0.256 0.000 2.288 729 M HA -0.118 4.361 4.480 -0.000 0.000 0.266 729 M C 1.707 178.017 176.300 0.016 0.000 1.072 729 M CA 1.095 56.469 55.300 0.123 0.000 1.132 729 M CB -1.232 31.465 32.600 0.161 0.000 1.386 729 M HN 0.123 nan 8.290 nan 0.000 0.432 730 D N 0.579 120.993 120.400 0.024 0.000 2.117 730 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 730 D C 1.935 178.213 176.300 -0.036 0.000 0.987 730 D CA 1.097 55.096 54.000 -0.002 0.000 0.829 730 D CB -0.084 40.722 40.800 0.009 0.000 0.961 730 D HN 0.452 nan 8.370 nan 0.000 0.460 731 E N 0.363 120.527 120.200 -0.059 0.000 2.058 731 E HA -0.156 4.193 4.350 -0.000 0.000 0.194 731 E C 2.113 178.631 176.600 -0.138 0.000 0.997 731 E CA 0.360 56.700 56.400 -0.099 0.000 0.801 731 E CB -0.086 29.536 29.700 -0.131 0.000 0.746 731 E HN 0.155 nan 8.360 nan 0.000 0.450 732 L N 0.947 122.054 121.223 -0.193 0.000 2.046 732 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 732 L C 2.097 178.901 176.870 -0.110 0.000 1.077 732 L CA 1.337 56.062 54.840 -0.190 0.000 0.747 732 L CB -0.424 41.486 42.059 -0.249 0.000 0.896 732 L HN 0.218 nan 8.230 nan 0.000 0.432 733 L N -0.142 121.037 121.223 -0.073 0.000 2.141 733 L HA -0.136 4.203 4.340 -0.000 0.000 0.209 733 L C 2.605 179.450 176.870 -0.041 0.000 1.094 733 L CA 1.558 56.371 54.840 -0.045 0.000 0.763 733 L CB -1.725 40.318 42.059 -0.026 0.000 0.908 733 L HN 0.252 nan 8.230 nan 0.000 0.437 734 T N -0.181 114.345 114.554 -0.047 0.000 2.777 734 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 734 T C 2.102 176.770 174.700 -0.054 0.000 1.040 734 T CA 0.983 63.060 62.100 -0.039 0.000 1.141 734 T CB -0.143 68.703 68.868 -0.037 0.000 0.868 734 T HN 0.193 nan 8.240 nan 0.000 0.444 735 L N 0.299 121.471 121.223 -0.085 0.000 2.046 735 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 735 L C 2.704 179.510 176.870 -0.107 0.000 1.077 735 L CA 1.335 56.105 54.840 -0.115 0.000 0.747 735 L CB -0.570 41.401 42.059 -0.147 0.000 0.896 735 L HN 0.294 nan 8.230 nan 0.000 0.432 736 M N -0.611 118.941 119.600 -0.080 0.000 2.159 736 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 736 M C 2.486 178.786 176.300 0.001 0.000 1.063 736 M CA 1.786 57.058 55.300 -0.046 0.000 1.110 736 M CB -0.515 32.067 32.600 -0.030 0.000 1.374 736 M HN 0.333 nan 8.290 nan 0.000 0.411 737 A N 0.282 123.103 122.820 0.001 0.000 1.972 737 A HA -0.004 4.315 4.320 -0.000 0.000 0.219 737 A C 2.151 179.770 177.584 0.058 0.000 1.169 737 A CA 1.769 53.825 52.037 0.031 0.000 0.635 737 A CB -0.704 18.308 19.000 0.021 0.000 0.810 737 A HN 0.512 nan 8.150 nan 0.000 0.446 738 A N -2.545 120.289 122.820 0.023 0.000 2.278 738 A HA 0.340 4.660 4.320 -0.000 0.000 0.212 738 A C 0.935 178.539 177.584 0.033 0.000 1.213 738 A CA 1.266 53.328 52.037 0.041 0.000 0.840 738 A CB -0.572 18.412 19.000 -0.026 0.000 0.866 738 A HN 0.962 nan 8.150 nan 0.000 0.489 739 H N -1.242 117.766 119.070 -0.103 0.000 4.891 739 H HA -0.202 4.354 4.556 -0.000 0.000 0.059 739 H C 0.038 175.140 175.328 -0.376 0.000 0.587 739 H CA 2.431 58.395 56.048 -0.141 0.000 0.970 739 H CB -0.562 29.214 29.762 0.022 0.000 0.535 739 H HN 0.455 nan 8.280 nan 0.000 0.802 740 R N -0.212 119.700 120.500 -0.979 0.000 2.867 740 R HA 0.597 4.937 4.340 -0.000 0.000 0.268 740 R C -0.604 174.866 176.300 -1.383 0.000 1.014 740 R CA -0.342 54.954 56.100 -1.339 0.000 0.946 740 R CB 1.681 30.870 30.300 -1.851 0.000 1.208 740 R HN 0.116 nan 8.270 nan 0.000 0.477 741 V N 2.592 121.927 119.914 -0.964 0.000 2.222 741 V HA 0.091 4.210 4.120 -0.000 0.000 0.253 741 V C 0.741 176.459 176.094 -0.627 0.000 1.210 741 V CA -0.395 61.503 62.300 -0.670 0.000 1.079 741 V CB -0.389 31.177 31.823 -0.428 0.000 1.265 741 V HN 0.710 nan 8.190 nan 0.000 0.494 742 W N 1.733 122.760 121.300 -0.455 0.000 2.392 742 W HA -0.182 4.478 4.660 -0.000 0.000 0.279 742 W C 2.536 178.840 176.519 -0.358 0.000 1.225 742 W CA 0.881 57.862 57.345 -0.607 0.000 1.233 742 W CB -0.389 28.357 29.460 -1.190 0.000 1.122 742 W HN 0.660 nan 8.180 nan 0.000 0.561 743 S N 0.624 116.281 115.700 -0.072 0.000 2.474 743 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 743 S C 1.708 176.270 174.600 -0.063 0.000 0.997 743 S CA 0.767 58.944 58.200 -0.040 0.000 0.949 743 S CB -0.383 62.794 63.200 -0.038 0.000 0.766 743 S HN 0.391 nan 8.310 nan 0.000 0.517 744 R N 0.577 120.997 120.500 -0.133 0.000 2.307 744 R HA 0.248 4.588 4.340 -0.000 0.000 0.199 744 R C 1.742 177.970 176.300 -0.120 0.000 1.000 744 R CA 0.373 56.370 56.100 -0.171 0.000 1.023 744 R CB -0.375 29.712 30.300 -0.355 0.000 0.908 744 R HN 0.486 nan 8.270 nan 0.000 0.473 745 I N 1.727 122.267 120.570 -0.049 0.000 2.118 745 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 745 I C -0.808 175.329 176.117 0.034 0.000 1.070 745 I CA 1.384 62.697 61.300 0.022 0.000 1.327 745 I CB -0.965 37.095 38.000 0.101 0.000 1.034 745 I HN 0.140 nan 8.210 nan 0.000 0.405 746 P HA -0.184 nan 4.420 nan 0.000 0.220 746 P C 0.943 178.270 177.300 0.045 0.000 1.144 746 P CA 1.535 64.662 63.100 0.045 0.000 0.800 746 P CB -0.122 31.602 31.700 0.040 0.000 0.772 747 K N -0.771 119.652 120.400 0.038 0.000 2.361 747 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 747 K C 1.982 178.645 176.600 0.105 0.000 1.032 747 K CA 0.425 56.759 56.287 0.078 0.000 1.048 747 K CB -0.169 32.403 32.500 0.121 0.000 0.842 747 K HN 0.290 nan 8.250 nan 0.000 0.526 748 I N -1.106 119.495 120.570 0.051 0.000 2.546 748 I HA -0.092 4.078 4.170 -0.000 0.000 0.255 748 I C 1.118 177.277 176.117 0.072 0.000 1.163 748 I CA 1.244 62.579 61.300 0.060 0.000 1.457 748 I CB -0.171 37.819 38.000 -0.017 0.000 1.092 748 I HN -0.175 nan 8.210 nan 0.000 0.434 749 D N 1.887 122.328 120.400 0.070 0.000 2.221 749 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 749 D C 1.822 178.160 176.300 0.063 0.000 0.982 749 D CA 1.017 55.058 54.000 0.069 0.000 0.857 749 D CB -0.049 40.792 40.800 0.069 0.000 0.934 749 D HN 0.198 nan 8.370 nan 0.000 0.475 750 K N -0.004 120.435 120.400 0.064 0.000 2.459 750 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 750 K C 0.449 177.078 176.600 0.049 0.000 1.030 750 K CA -0.189 56.130 56.287 0.053 0.000 1.026 750 K CB 0.002 32.533 32.500 0.051 0.000 0.809 750 K HN 0.224 nan 8.250 nan 0.000 0.504 751 I N 3.007 123.614 120.570 0.062 0.000 2.312 751 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 751 I C -2.156 173.986 176.117 0.041 0.000 1.031 751 I CA -2.539 58.789 61.300 0.047 0.000 1.293 751 I CB 1.089 39.132 38.000 0.071 0.000 1.403 751 I HN -0.066 nan 8.210 nan 0.000 0.484 752 P HA 0.272 nan 4.420 nan 0.000 0.252 752 P C -0.888 176.465 177.300 0.088 0.000 1.727 752 P CA 0.067 63.200 63.100 0.055 0.000 1.134 752 P CB 0.213 31.941 31.700 0.047 0.000 1.876 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 753 A CA 0.000 52.131 52.037 0.157 0.000 0.836 753 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486