REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ggf_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.281 176.300 -0.032 0.000 2.045 27 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.611 115.063 115.700 -0.044 0.000 4.277 28 S HA 0.055 4.569 4.470 0.074 0.000 0.078 28 S C 1.104 175.668 174.600 -0.061 0.000 0.847 28 S CA -0.151 58.020 58.200 -0.047 0.000 1.129 28 S CB -0.868 62.313 63.200 -0.032 0.000 0.700 28 S HN 0.088 nan 8.310 nan 0.000 0.764 29 L N 1.709 122.890 121.223 -0.069 0.000 2.042 29 L HA 0.090 4.475 4.340 0.074 0.000 0.210 29 L C 1.690 178.492 176.870 -0.114 0.000 1.076 29 L CA 1.439 56.234 54.840 -0.074 0.000 0.749 29 L CB -0.744 41.277 42.059 -0.063 0.000 0.893 29 L HN 0.521 nan 8.230 nan 0.000 0.432 30 A N 0.747 123.448 122.820 -0.199 0.000 2.507 30 A HA 0.210 4.575 4.320 0.074 0.000 0.235 30 A C -1.994 175.490 177.584 -0.166 0.000 1.070 30 A CA -0.836 50.990 52.037 -0.350 0.000 0.768 30 A CB -0.669 17.909 19.000 -0.703 0.000 1.011 30 A HN 0.066 nan 8.150 nan 0.000 0.502 31 P HA 0.164 nan 4.420 nan 0.000 0.274 31 P C 0.362 177.680 177.300 0.031 0.000 1.231 31 P CA -0.177 62.926 63.100 0.005 0.000 0.790 31 P CB 0.903 32.635 31.700 0.054 0.000 0.951 32 E N 1.846 122.060 120.200 0.023 0.000 2.049 32 E HA -0.263 4.132 4.350 0.074 0.000 0.198 32 E C 1.236 177.865 176.600 0.049 0.000 1.007 32 E CA 2.364 58.780 56.400 0.027 0.000 0.809 32 E CB -0.724 28.985 29.700 0.016 0.000 0.749 32 E HN 0.570 nan 8.360 nan 0.000 0.450 33 D N -1.552 118.879 120.400 0.053 0.000 2.309 33 D HA -0.046 4.638 4.640 0.074 0.000 0.212 33 D C 1.369 177.711 176.300 0.070 0.000 0.968 33 D CA 1.185 55.215 54.000 0.051 0.000 0.882 33 D CB -0.522 40.301 40.800 0.038 0.000 0.918 33 D HN 0.361 nan 8.370 nan 0.000 0.503 34 G N -0.342 108.540 108.800 0.138 0.000 2.132 34 G HA2 -0.314 3.690 3.960 0.074 0.000 0.234 34 G HA3 -0.314 3.690 3.960 0.074 0.000 0.234 34 G C 0.961 175.855 174.900 -0.009 0.000 0.989 34 G CA 0.761 45.943 45.100 0.137 0.000 0.676 34 G HN 0.753 nan 8.290 nan 0.000 0.522 35 S N -0.084 115.659 115.700 0.073 0.000 2.607 35 S HA 0.076 4.590 4.470 0.074 0.000 0.224 35 S C 1.691 176.298 174.600 0.012 0.000 0.969 35 S CA 1.174 59.383 58.200 0.014 0.000 0.927 35 S CB -0.585 62.638 63.200 0.039 0.000 0.772 35 S HN 1.064 nan 8.310 nan 0.000 0.533 36 H N 0.567 119.644 119.070 0.012 0.000 2.529 36 H HA 0.319 4.920 4.556 0.074 0.000 0.277 36 H C 0.979 176.318 175.328 0.018 0.000 0.999 36 H CA 0.274 56.329 56.048 0.013 0.000 1.256 36 H CB -0.040 29.729 29.762 0.011 0.000 1.402 36 H HN 0.383 nan 8.280 nan 0.000 0.566 37 R N 2.009 122.211 120.500 -0.497 0.000 2.480 37 R HA 0.316 4.701 4.340 0.074 0.000 0.306 37 R C -2.736 173.468 176.300 -0.159 0.000 0.958 37 R CA -2.468 53.451 56.100 -0.302 0.000 0.861 37 R CB 1.264 31.290 30.300 -0.457 0.000 1.171 37 R HN 0.085 nan 8.270 nan 0.000 0.445 38 P HA 0.046 nan 4.420 nan 0.000 0.268 38 P C -0.820 176.470 177.300 -0.017 0.000 1.208 38 P CA -0.206 62.882 63.100 -0.021 0.000 0.777 38 P CB 0.776 32.490 31.700 0.023 0.000 0.875 39 A N 2.029 124.845 122.820 -0.006 0.000 2.407 39 A HA 0.455 4.820 4.320 0.074 0.000 0.248 39 A C 0.879 178.474 177.584 0.019 0.000 1.082 39 A CA -0.086 51.952 52.037 0.001 0.000 0.785 39 A CB -0.146 18.856 19.000 0.003 0.000 1.020 39 A HN 0.558 nan 8.150 nan 0.000 0.489 40 A N 2.456 125.288 122.820 0.020 0.000 3.135 40 A HA 0.505 4.870 4.320 0.074 0.000 0.253 40 A C 0.207 177.812 177.584 0.034 0.000 1.638 40 A CA -0.066 51.990 52.037 0.032 0.000 1.295 40 A CB -0.443 18.574 19.000 0.027 0.000 1.106 40 A HN 0.733 nan 8.150 nan 0.000 0.648 41 E N 0.022 120.244 120.200 0.036 0.000 2.412 41 E HA 0.353 4.748 4.350 0.074 0.000 0.279 41 E C -3.129 173.494 176.600 0.038 0.000 0.984 41 E CA -1.979 54.443 56.400 0.038 0.000 0.788 41 E CB 1.644 31.361 29.700 0.028 0.000 1.277 41 E HN 0.028 nan 8.360 nan 0.000 0.455 42 P HA 0.083 nan 4.420 nan 0.000 0.267 42 P C -0.759 176.550 177.300 0.015 0.000 1.209 42 P CA 0.270 63.384 63.100 0.022 0.000 0.763 42 P CB 0.257 31.959 31.700 0.003 0.000 0.816 43 T N 1.238 115.795 114.554 0.005 0.000 2.912 43 T HA 0.588 4.983 4.350 0.074 0.000 0.299 43 T C -2.925 171.742 174.700 -0.055 0.000 1.052 43 T CA -2.630 59.467 62.100 -0.004 0.000 0.996 43 T CB 1.697 70.567 68.868 0.005 0.000 1.070 43 T HN 0.096 nan 8.240 nan 0.000 0.465 44 P HA 0.292 nan 4.420 nan 0.000 0.270 44 P C -2.741 174.430 177.300 -0.215 0.000 1.223 44 P CA -1.379 61.554 63.100 -0.279 0.000 0.785 44 P CB -0.890 30.727 31.700 -0.137 0.000 0.923 45 P HA 0.022 nan 4.420 nan 0.000 0.262 45 P C 1.130 178.395 177.300 -0.059 0.000 1.182 45 P CA 1.336 64.355 63.100 -0.134 0.000 0.761 45 P CB -0.325 31.297 31.700 -0.130 0.000 0.795 46 G N 2.596 111.384 108.800 -0.019 0.000 2.179 46 G HA2 -0.352 3.652 3.960 0.074 0.000 0.260 46 G HA3 -0.352 3.652 3.960 0.074 0.000 0.260 46 G C 1.156 176.056 174.900 -0.001 0.000 0.977 46 G CA 0.533 45.632 45.100 -0.001 0.000 0.641 46 G HN 0.685 nan 8.290 nan 0.000 0.533 47 A N -1.052 121.763 122.820 -0.009 0.000 1.873 47 A HA 0.340 4.705 4.320 0.074 0.000 0.215 47 A C 1.489 179.075 177.584 0.004 0.000 1.186 47 A CA 2.084 54.120 52.037 -0.002 0.000 0.616 47 A CB -0.062 18.934 19.000 -0.006 0.000 0.823 47 A HN 0.508 nan 8.150 nan 0.000 0.442 48 Q N -1.283 118.522 119.800 0.009 0.000 2.496 48 Q HA 0.474 4.859 4.340 0.074 0.000 0.286 48 Q C -2.867 173.145 176.000 0.020 0.000 1.103 48 Q CA -2.162 53.649 55.803 0.013 0.000 0.813 48 Q CB 0.510 29.258 28.738 0.017 0.000 1.444 48 Q HN 0.100 nan 8.270 nan 0.000 0.443 49 P HA 0.065 nan 4.420 nan 0.000 0.271 49 P C -0.355 176.972 177.300 0.045 0.000 1.216 49 P CA 0.030 63.142 63.100 0.019 0.000 0.771 49 P CB 0.306 32.015 31.700 0.016 0.000 0.864 50 T N -0.135 114.442 114.554 0.037 0.000 2.813 50 T HA 0.646 5.041 4.350 0.074 0.000 0.297 50 T C -0.001 174.770 174.700 0.118 0.000 1.036 50 T CA -0.472 61.692 62.100 0.107 0.000 1.044 50 T CB 0.787 69.659 68.868 0.007 0.000 0.993 50 T HN 0.561 nan 8.240 nan 0.000 0.535 51 A N 1.375 124.362 122.820 0.280 0.000 2.599 51 A HA 0.755 5.120 4.320 0.074 0.000 0.290 51 A C -3.122 174.725 177.584 0.437 0.000 1.101 51 A CA -1.904 50.284 52.037 0.252 0.000 0.674 51 A CB 0.318 19.422 19.000 0.175 0.000 1.277 51 A HN 0.645 nan 8.150 nan 0.000 0.419 52 P HA 0.113 nan 4.420 nan 0.000 0.263 52 P C 1.185 178.640 177.300 0.258 0.000 1.175 52 P CA 1.114 64.418 63.100 0.341 0.000 0.761 52 P CB 0.633 32.460 31.700 0.211 0.000 0.794 53 G N 2.367 111.286 108.800 0.198 0.000 2.442 53 G HA2 -0.271 3.733 3.960 0.074 0.000 0.219 53 G HA3 -0.271 3.733 3.960 0.074 0.000 0.219 53 G C 1.532 176.458 174.900 0.044 0.000 1.141 53 G CA 1.005 46.139 45.100 0.057 0.000 0.763 53 G HN 0.578 nan 8.290 nan 0.000 0.554 54 S N 0.043 115.771 115.700 0.047 0.000 2.481 54 S HA 0.132 4.646 4.470 0.074 0.000 0.231 54 S C 2.210 176.835 174.600 0.042 0.000 0.996 54 S CA 0.664 58.877 58.200 0.022 0.000 0.942 54 S CB -0.177 63.029 63.200 0.010 0.000 0.768 54 S HN 0.314 nan 8.310 nan 0.000 0.520 55 L N -0.083 121.182 121.223 0.069 0.000 2.168 55 L HA 0.201 4.585 4.340 0.074 0.000 0.203 55 L C 2.770 179.681 176.870 0.067 0.000 1.078 55 L CA 0.920 55.801 54.840 0.069 0.000 0.780 55 L CB -0.460 41.650 42.059 0.085 0.000 0.939 55 L HN 0.253 nan 8.230 nan 0.000 0.451 56 K N 1.400 121.852 120.400 0.086 0.000 2.097 56 K HA -0.009 4.356 4.320 0.074 0.000 0.205 56 K C 0.698 177.336 176.600 0.063 0.000 1.050 56 K CA 1.370 57.708 56.287 0.085 0.000 0.938 56 K CB 0.009 32.578 32.500 0.116 0.000 0.718 56 K HN 0.183 nan 8.250 nan 0.000 0.442 57 A N 0.557 123.407 122.820 0.049 0.000 3.317 57 A HA 0.349 4.714 4.320 0.074 0.000 0.307 57 A C -2.164 175.431 177.584 0.019 0.000 1.003 57 A CA -1.017 51.044 52.037 0.040 0.000 0.882 57 A CB 0.598 19.626 19.000 0.046 0.000 1.136 57 A HN 0.094 nan 8.150 nan 0.000 0.488 58 P HA -0.180 nan 4.420 nan 0.000 0.216 58 P C 0.304 177.602 177.300 -0.004 0.000 1.150 58 P CA 1.397 64.501 63.100 0.007 0.000 0.843 58 P CB 0.245 31.953 31.700 0.013 0.000 0.787 59 D N -1.123 119.278 120.400 0.003 0.000 2.347 59 D HA -0.014 4.670 4.640 0.074 0.000 0.213 59 D C 0.394 176.685 176.300 -0.014 0.000 0.985 59 D CA 0.670 54.668 54.000 -0.003 0.000 0.879 59 D CB -0.715 40.090 40.800 0.008 0.000 0.919 59 D HN 0.153 nan 8.370 nan 0.000 0.526 60 T N 2.074 116.618 114.554 -0.016 0.000 2.738 60 T HA 0.326 4.720 4.350 0.074 0.000 0.293 60 T C 0.559 175.220 174.700 -0.064 0.000 0.913 60 T CA -0.102 61.974 62.100 -0.038 0.000 1.103 60 T CB 0.989 69.831 68.868 -0.043 0.000 0.880 60 T HN -0.049 nan 8.240 nan 0.000 0.526 61 R N 2.732 123.189 120.500 -0.072 0.000 2.867 61 R HA 0.701 5.086 4.340 0.074 0.000 0.268 61 R C -0.604 175.644 176.300 -0.087 0.000 1.014 61 R CA -1.073 54.978 56.100 -0.082 0.000 0.946 61 R CB 1.564 31.822 30.300 -0.070 0.000 1.208 61 R HN 0.775 nan 8.270 nan 0.000 0.477 62 N N -1.770 116.878 118.700 -0.085 0.000 3.046 62 N HA -0.036 4.748 4.740 0.074 0.000 0.243 62 N C -0.226 175.239 175.510 -0.074 0.000 1.452 62 N CA -0.872 52.137 53.050 -0.067 0.000 0.882 62 N CB 0.774 39.247 38.487 -0.023 0.000 1.425 62 N HN 0.643 nan 8.380 nan 0.000 0.517 63 E N -0.336 119.831 120.200 -0.055 0.000 2.204 63 E HA -0.224 4.171 4.350 0.074 0.000 0.195 63 E C 0.993 177.524 176.600 -0.114 0.000 0.990 63 E CA 1.266 57.628 56.400 -0.063 0.000 0.821 63 E CB 0.142 29.826 29.700 -0.026 0.000 0.750 63 E HN 0.487 nan 8.360 nan 0.000 0.477 64 K N 0.635 120.934 120.400 -0.168 0.000 2.044 64 K HA -0.058 4.307 4.320 0.074 0.000 0.204 64 K C 2.041 178.490 176.600 -0.253 0.000 1.049 64 K CA 1.044 57.145 56.287 -0.309 0.000 0.945 64 K CB -0.365 31.784 32.500 -0.585 0.000 0.724 64 K HN 0.149 nan 8.250 nan 0.000 0.440 65 L N 1.056 122.144 121.223 -0.225 0.000 2.012 65 L HA -0.243 4.142 4.340 0.074 0.000 0.210 65 L C 1.960 178.723 176.870 -0.178 0.000 1.073 65 L CA 1.461 56.146 54.840 -0.258 0.000 0.748 65 L CB -0.701 41.191 42.059 -0.278 0.000 0.891 65 L HN 0.253 nan 8.230 nan 0.000 0.431 66 N N -0.250 118.370 118.700 -0.132 0.000 2.120 66 N HA -0.171 4.614 4.740 0.074 0.000 0.188 66 N C 2.047 177.502 175.510 -0.092 0.000 1.024 66 N CA 1.727 54.719 53.050 -0.096 0.000 0.852 66 N CB -0.555 37.888 38.487 -0.074 0.000 1.003 66 N HN 0.390 nan 8.380 nan 0.000 0.424 67 S N 0.375 116.012 115.700 -0.105 0.000 2.500 67 S HA 0.011 4.525 4.470 0.074 0.000 0.239 67 S C 1.742 176.287 174.600 -0.092 0.000 0.989 67 S CA 0.403 58.548 58.200 -0.091 0.000 0.951 67 S CB -0.479 62.663 63.200 -0.096 0.000 0.759 67 S HN 0.265 nan 8.310 nan 0.000 0.523 68 L N 0.548 121.705 121.223 -0.110 0.000 2.554 68 L HA 0.189 4.573 4.340 0.074 0.000 0.226 68 L C 2.620 179.451 176.870 -0.065 0.000 1.137 68 L CA 0.529 55.312 54.840 -0.094 0.000 0.863 68 L CB -0.382 41.607 42.059 -0.116 0.000 0.985 68 L HN 0.272 nan 8.230 nan 0.000 0.451 69 E N 1.028 121.192 120.200 -0.061 0.000 2.160 69 E HA -0.258 4.136 4.350 0.074 0.000 0.195 69 E C 1.744 178.327 176.600 -0.028 0.000 0.991 69 E CA 1.508 57.884 56.400 -0.040 0.000 0.810 69 E CB -0.068 29.609 29.700 -0.038 0.000 0.742 69 E HN 0.572 nan 8.360 nan 0.000 0.466 70 D N -0.497 119.885 120.400 -0.030 0.000 2.178 70 D HA -0.148 4.537 4.640 0.074 0.000 0.201 70 D C 1.616 177.905 176.300 -0.018 0.000 0.980 70 D CA 1.750 55.737 54.000 -0.022 0.000 0.842 70 D CB -0.302 40.485 40.800 -0.022 0.000 0.948 70 D HN 0.303 nan 8.370 nan 0.000 0.472 71 V N -3.430 116.472 119.914 -0.020 0.000 3.578 71 V HA 0.336 4.500 4.120 0.074 0.000 0.290 71 V C 0.977 177.066 176.094 -0.007 0.000 1.376 71 V CA -0.673 61.620 62.300 -0.012 0.000 1.083 71 V CB -0.688 31.130 31.823 -0.008 0.000 0.911 71 V HN -0.165 nan 8.190 nan 0.000 0.433 72 R N 1.920 122.414 120.500 -0.010 0.000 2.489 72 R HA 0.400 4.784 4.340 0.074 0.000 0.287 72 R C -0.208 176.092 176.300 0.001 0.000 1.053 72 R CA 0.331 56.432 56.100 0.001 0.000 1.036 72 R CB 0.565 30.865 30.300 0.000 0.000 0.966 72 R HN 0.457 nan 8.270 nan 0.000 0.432 73 K N 0.844 121.248 120.400 0.006 0.000 2.259 73 K HA 0.382 4.746 4.320 0.074 0.000 0.252 73 K C 0.121 176.733 176.600 0.021 0.000 0.936 73 K CA -0.629 55.650 56.287 -0.013 0.000 0.810 73 K CB 2.208 34.682 32.500 -0.043 0.000 1.143 73 K HN 0.679 nan 8.250 nan 0.000 0.427 74 G N -0.296 108.526 108.800 0.037 0.000 2.543 74 G HA2 0.339 4.344 3.960 0.074 0.000 0.267 74 G HA3 0.339 4.344 3.960 0.074 0.000 0.267 74 G C 0.358 175.350 174.900 0.153 0.000 1.406 74 G CA 0.145 45.329 45.100 0.139 0.000 1.048 74 G HN 0.669 nan 8.290 nan 0.000 0.548 75 S N -2.632 113.248 115.700 0.300 0.000 2.323 75 S HA 0.068 4.583 4.470 0.074 0.000 0.233 75 S C 0.141 174.931 174.600 0.318 0.000 0.898 75 S CA -0.093 58.286 58.200 0.300 0.000 1.321 75 S CB -0.144 63.139 63.200 0.139 0.000 0.921 75 S HN 0.528 nan 8.310 nan 0.000 0.398 76 E N 3.205 123.510 120.200 0.175 0.000 2.452 76 E HA 0.282 4.676 4.350 0.074 0.000 0.261 76 E C -0.190 176.368 176.600 -0.070 0.000 0.987 76 E CA 0.351 56.787 56.400 0.060 0.000 0.926 76 E CB -0.004 29.718 29.700 0.036 0.000 0.934 76 E HN 0.404 nan 8.360 nan 0.000 0.452 77 N N 0.369 119.020 118.700 -0.081 0.000 2.909 77 N HA -0.204 4.581 4.740 0.074 0.000 0.242 77 N C -1.200 174.159 175.510 -0.251 0.000 0.975 77 N CA 1.137 54.079 53.050 -0.180 0.000 0.921 77 N CB -1.458 36.882 38.487 -0.246 0.000 1.112 77 N HN 0.401 nan 8.380 nan 0.000 0.581 78 Y N 0.652 120.957 120.300 0.008 0.000 2.387 78 Y HA 0.641 5.236 4.550 0.075 0.000 0.330 78 Y C 0.969 176.872 175.900 0.004 0.000 1.133 78 Y CA -0.541 57.563 58.100 0.007 0.000 1.152 78 Y CB 1.056 39.520 38.460 0.008 0.000 1.215 78 Y HN 0.128 nan 8.280 nan 0.000 0.466 79 A N 2.703 125.632 122.820 0.183 0.000 2.462 79 A HA 0.324 4.688 4.320 0.074 0.000 0.243 79 A C -0.569 177.068 177.584 0.088 0.000 1.076 79 A CA -0.507 51.590 52.037 0.100 0.000 0.773 79 A CB 0.003 19.050 19.000 0.078 0.000 1.010 79 A HN 0.722 nan 8.150 nan 0.000 0.493 80 L N 3.278 124.533 121.223 0.054 0.000 2.477 80 L HA 0.423 4.807 4.340 0.074 0.000 0.272 80 L C 0.689 177.574 176.870 0.025 0.000 1.157 80 L CA 1.365 56.224 54.840 0.032 0.000 0.889 80 L CB -0.089 41.979 42.059 0.016 0.000 1.158 80 L HN 0.896 nan 8.230 nan 0.000 0.473 81 T N 0.437 115.001 114.554 0.015 0.000 2.865 81 T HA 0.663 5.057 4.350 0.074 0.000 0.294 81 T C 0.229 174.938 174.700 0.015 0.000 1.119 81 T CA -0.230 61.882 62.100 0.020 0.000 1.007 81 T CB 1.050 69.930 68.868 0.019 0.000 1.225 81 T HN 0.755 nan 8.240 nan 0.000 0.515 82 T N 0.334 114.912 114.554 0.041 0.000 2.667 82 T HA 0.199 4.593 4.350 0.074 0.000 0.305 82 T C 1.057 175.771 174.700 0.025 0.000 1.022 82 T CA -0.418 61.713 62.100 0.052 0.000 0.995 82 T CB -0.089 68.852 68.868 0.121 0.000 1.026 82 T HN 0.562 nan 8.240 nan 0.000 0.527 83 N N 0.490 119.204 118.700 0.023 0.000 2.459 83 N HA -0.059 4.726 4.740 0.074 0.000 0.181 83 N C 1.641 177.157 175.510 0.010 0.000 1.046 83 N CA 0.587 53.640 53.050 0.004 0.000 0.904 83 N CB -0.172 38.322 38.487 0.010 0.000 0.964 83 N HN 0.560 nan 8.380 nan 0.000 0.444 84 Q N -0.488 119.326 119.800 0.023 0.000 2.403 84 Q HA 0.199 4.583 4.340 0.074 0.000 0.203 84 Q C 0.865 176.872 176.000 0.011 0.000 0.932 84 Q CA 0.262 56.072 55.803 0.011 0.000 0.945 84 Q CB 0.323 29.065 28.738 0.006 0.000 1.045 84 Q HN 0.380 nan 8.270 nan 0.000 0.511 85 G N 0.536 109.346 108.800 0.017 0.000 2.143 85 G HA2 -0.248 3.757 3.960 0.074 0.000 0.249 85 G HA3 -0.248 3.757 3.960 0.074 0.000 0.249 85 G C 0.137 175.056 174.900 0.033 0.000 0.981 85 G CA 0.192 45.302 45.100 0.016 0.000 0.665 85 G HN 0.235 nan 8.290 nan 0.000 0.528 86 V N 1.465 121.412 119.914 0.055 0.000 2.488 86 V HA 0.357 4.522 4.120 0.074 0.000 0.277 86 V C 1.346 177.483 176.094 0.070 0.000 1.046 86 V CA -0.477 61.867 62.300 0.075 0.000 0.986 86 V CB 1.030 32.932 31.823 0.131 0.000 0.989 86 V HN 0.424 nan 8.190 nan 0.000 0.475 87 R N 4.095 124.629 120.500 0.056 0.000 2.623 87 R HA 0.349 4.734 4.340 0.074 0.000 0.271 87 R C -0.440 175.884 176.300 0.039 0.000 1.043 87 R CA -0.001 56.125 56.100 0.044 0.000 1.083 87 R CB 0.453 30.776 30.300 0.038 0.000 0.974 87 R HN 0.589 nan 8.270 nan 0.000 0.436 88 I N 2.063 122.646 120.570 0.021 0.000 2.359 88 I HA 0.140 4.354 4.170 0.074 0.000 0.294 88 I C 0.892 177.005 176.117 -0.006 0.000 0.987 88 I CA -0.034 61.265 61.300 -0.002 0.000 1.225 88 I CB 1.894 39.885 38.000 -0.014 0.000 1.366 88 I HN 0.785 nan 8.210 nan 0.000 0.466 89 A N 4.089 126.900 122.820 -0.015 0.000 1.911 89 A HA 0.014 4.379 4.320 0.074 0.000 0.212 89 A C 0.630 178.201 177.584 -0.023 0.000 1.189 89 A CA 0.927 52.956 52.037 -0.014 0.000 0.639 89 A CB 0.058 19.050 19.000 -0.012 0.000 0.839 89 A HN 0.686 nan 8.150 nan 0.000 0.449 90 D N -0.716 119.662 120.400 -0.037 0.000 2.421 90 D HA 0.330 5.014 4.640 0.074 0.000 0.254 90 D C -1.330 174.940 176.300 -0.050 0.000 1.238 90 D CA -0.367 53.609 54.000 -0.039 0.000 0.919 90 D CB 1.210 41.986 40.800 -0.040 0.000 1.152 90 D HN 0.026 nan 8.370 nan 0.000 0.552 91 D N 1.915 122.289 120.400 -0.042 0.000 2.358 91 D HA 0.063 4.748 4.640 0.074 0.000 0.224 91 D C 0.756 177.027 176.300 -0.048 0.000 1.123 91 D CA 0.349 54.321 54.000 -0.046 0.000 0.833 91 D CB 0.553 41.331 40.800 -0.037 0.000 0.946 91 D HN 0.256 nan 8.370 nan 0.000 0.505 92 Q N -0.741 119.031 119.800 -0.046 0.000 2.353 92 Q HA 0.241 4.625 4.340 0.074 0.000 0.240 92 Q C -0.088 175.883 176.000 -0.047 0.000 0.868 92 Q CA 0.281 56.057 55.803 -0.044 0.000 0.944 92 Q CB 0.738 29.454 28.738 -0.036 0.000 1.104 92 Q HN 0.198 nan 8.270 nan 0.000 0.531 93 N N 0.294 118.964 118.700 -0.050 0.000 2.240 93 N HA 0.339 5.123 4.740 0.074 0.000 0.302 93 N C -0.800 174.675 175.510 -0.059 0.000 1.106 93 N CA -0.219 52.801 53.050 -0.049 0.000 0.778 93 N CB 2.100 40.562 38.487 -0.042 0.000 1.431 93 N HN -0.160 nan 8.380 nan 0.000 0.479 94 S N 0.665 116.333 115.700 -0.053 0.000 2.624 94 S HA 0.278 4.793 4.470 0.074 0.000 0.263 94 S C 0.081 174.649 174.600 -0.054 0.000 1.287 94 S CA -0.532 57.634 58.200 -0.057 0.000 0.990 94 S CB 0.613 63.786 63.200 -0.045 0.000 0.950 94 S HN 0.390 nan 8.310 nan 0.000 0.561 95 L N 3.054 124.242 121.223 -0.058 0.000 2.265 95 L HA 0.465 4.849 4.340 0.074 0.000 0.288 95 L C -0.024 176.829 176.870 -0.029 0.000 1.058 95 L CA 0.213 55.024 54.840 -0.048 0.000 0.809 95 L CB -0.039 41.986 42.059 -0.058 0.000 1.179 95 L HN 0.683 nan 8.230 nan 0.000 0.429 96 R N 4.229 124.716 120.500 -0.022 0.000 2.836 96 R HA 0.846 5.231 4.340 0.074 0.000 0.269 96 R C -1.050 175.244 176.300 -0.010 0.000 1.010 96 R CA -0.877 55.214 56.100 -0.014 0.000 0.930 96 R CB 1.156 31.447 30.300 -0.015 0.000 1.218 96 R HN 0.576 nan 8.270 nan 0.000 0.473 97 A N 1.199 124.016 122.820 -0.006 0.000 2.805 97 A HA 0.553 4.917 4.320 0.074 0.000 0.301 97 A C 0.606 178.187 177.584 -0.004 0.000 1.557 97 A CA 0.370 52.405 52.037 -0.003 0.000 1.254 97 A CB -1.005 17.995 19.000 -0.000 0.000 1.114 97 A HN 1.195 nan 8.150 nan 0.000 0.553 98 G N 1.149 109.945 108.800 -0.006 0.000 2.719 98 G HA2 0.055 4.059 3.960 0.074 0.000 0.686 98 G HA3 0.055 4.059 3.960 0.074 0.000 0.686 98 G C 0.767 175.662 174.900 -0.009 0.000 1.201 98 G CA 0.201 45.297 45.100 -0.006 0.000 0.768 98 G HN 1.853 nan 8.290 nan 0.000 0.629 99 S N 0.413 116.107 115.700 -0.010 0.000 2.419 99 S HA -0.140 4.375 4.470 0.074 0.000 0.235 99 S C 1.785 176.378 174.600 -0.012 0.000 1.019 99 S CA 1.855 60.048 58.200 -0.012 0.000 0.982 99 S CB 0.035 63.228 63.200 -0.011 0.000 0.789 99 S HN 0.929 nan 8.310 nan 0.000 0.490 100 R N 0.922 121.417 120.500 -0.010 0.000 2.509 100 R HA 0.357 4.741 4.340 0.074 0.000 0.300 100 R C 0.908 177.203 176.300 -0.008 0.000 0.985 100 R CA 0.133 56.227 56.100 -0.009 0.000 1.092 100 R CB 0.095 30.390 30.300 -0.008 0.000 1.237 100 R HN 0.490 nan 8.270 nan 0.000 0.546 101 G N 0.764 109.560 108.800 -0.008 0.000 2.532 101 G HA2 0.354 4.359 3.960 0.074 0.000 0.291 101 G HA3 0.354 4.359 3.960 0.074 0.000 0.291 101 G C -2.424 172.472 174.900 -0.007 0.000 1.349 101 G CA -1.043 44.053 45.100 -0.006 0.000 1.038 101 G HN 0.046 nan 8.290 nan 0.000 0.518 102 P HA 0.231 nan 4.420 nan 0.000 0.278 102 P C -0.292 177.005 177.300 -0.005 0.000 1.238 102 P CA -0.092 63.005 63.100 -0.004 0.000 0.794 102 P CB 0.909 32.608 31.700 -0.001 0.000 0.955 103 T N 2.914 117.464 114.554 -0.006 0.000 2.901 103 T HA 0.227 4.622 4.350 0.074 0.000 0.301 103 T C 0.534 175.233 174.700 -0.002 0.000 1.012 103 T CA -0.143 61.952 62.100 -0.008 0.000 1.135 103 T CB -0.031 68.831 68.868 -0.010 0.000 0.936 103 T HN 0.186 nan 8.240 nan 0.000 0.539 104 L N 3.786 125.008 121.223 -0.002 0.000 2.350 104 L HA 0.273 4.658 4.340 0.074 0.000 0.275 104 L C 1.491 178.370 176.870 0.015 0.000 1.099 104 L CA -0.779 54.065 54.840 0.007 0.000 0.808 104 L CB 0.711 42.775 42.059 0.008 0.000 1.149 104 L HN 0.516 nan 8.230 nan 0.000 0.442 105 L N 2.597 123.834 121.223 0.024 0.000 2.127 105 L HA -0.201 4.184 4.340 0.074 0.000 0.211 105 L C 2.312 179.214 176.870 0.053 0.000 1.089 105 L CA 1.686 56.547 54.840 0.035 0.000 0.757 105 L CB -0.589 41.491 42.059 0.034 0.000 0.899 105 L HN 0.799 nan 8.230 nan 0.000 0.434 106 E N -1.460 118.775 120.200 0.058 0.000 2.526 106 E HA -0.158 4.237 4.350 0.074 0.000 0.198 106 E C 0.115 176.781 176.600 0.110 0.000 1.091 106 E CA 0.164 56.623 56.400 0.099 0.000 0.880 106 E CB -0.496 29.258 29.700 0.090 0.000 0.873 106 E HN 0.357 nan 8.360 nan 0.000 0.527 107 D N 1.157 121.576 120.400 0.033 0.000 2.470 107 D HA -0.028 4.657 4.640 0.074 0.000 0.226 107 D C 0.400 176.664 176.300 -0.060 0.000 1.196 107 D CA -0.577 53.380 54.000 -0.071 0.000 0.979 107 D CB -0.153 40.599 40.800 -0.080 0.000 1.059 107 D HN 0.325 nan 8.370 nan 0.000 0.515 108 F N 1.951 121.907 119.950 0.010 0.000 2.558 108 F HA 0.124 4.696 4.527 0.074 0.000 0.298 108 F C 1.563 177.372 175.800 0.014 0.000 1.119 108 F CA 0.016 58.024 58.000 0.013 0.000 1.451 108 F CB -0.529 38.477 39.000 0.011 0.000 1.091 108 F HN 0.180 nan 8.300 nan 0.000 0.563 109 I N 0.495 120.728 120.570 -0.562 0.000 2.193 109 I HA -0.204 4.011 4.170 0.074 0.000 0.240 109 I C 2.487 178.533 176.117 -0.118 0.000 1.084 109 I CA 1.125 62.240 61.300 -0.308 0.000 1.365 109 I CB -0.472 37.269 38.000 -0.432 0.000 1.064 109 I HN 0.282 nan 8.210 nan 0.000 0.410 110 L N 0.986 122.129 121.223 -0.132 0.000 2.017 110 L HA -0.188 4.196 4.340 0.074 0.000 0.208 110 L C 2.650 179.518 176.870 -0.004 0.000 1.073 110 L CA 1.816 56.618 54.840 -0.062 0.000 0.745 110 L CB -0.504 41.517 42.059 -0.064 0.000 0.894 110 L HN 0.038 nan 8.230 nan 0.000 0.432 111 R N -0.564 119.950 120.500 0.023 0.000 2.096 111 R HA -0.184 4.200 4.340 0.074 0.000 0.235 111 R C 2.328 178.684 176.300 0.095 0.000 1.127 111 R CA 1.623 57.764 56.100 0.068 0.000 0.968 111 R CB -0.372 29.980 30.300 0.086 0.000 0.861 111 R HN 0.573 nan 8.270 nan 0.000 0.440 112 E N 0.993 121.256 120.200 0.105 0.000 2.051 112 E HA -0.233 4.162 4.350 0.074 0.000 0.192 112 E C 1.917 178.592 176.600 0.126 0.000 0.991 112 E CA 1.235 57.708 56.400 0.121 0.000 0.799 112 E CB 0.119 29.897 29.700 0.129 0.000 0.748 112 E HN 0.146 nan 8.360 nan 0.000 0.449 113 K N 0.256 120.705 120.400 0.082 0.000 1.991 113 K HA -0.176 4.189 4.320 0.074 0.000 0.212 113 K C 2.144 178.820 176.600 0.126 0.000 1.049 113 K CA 1.573 57.905 56.287 0.076 0.000 0.932 113 K CB -0.095 32.409 32.500 0.008 0.000 0.717 113 K HN 0.125 nan 8.250 nan 0.000 0.441 114 I N 1.352 121.981 120.570 0.098 0.000 2.226 114 I HA -0.223 3.991 4.170 0.074 0.000 0.245 114 I C 2.269 178.530 176.117 0.240 0.000 1.100 114 I CA 1.501 62.886 61.300 0.142 0.000 1.374 114 I CB -1.637 36.413 38.000 0.085 0.000 1.057 114 I HN 0.261 nan 8.210 nan 0.000 0.413 115 T N -0.307 114.369 114.554 0.203 0.000 2.684 115 T HA -0.227 4.168 4.350 0.074 0.000 0.267 115 T C 1.974 176.837 174.700 0.271 0.000 1.036 115 T CA 1.533 63.773 62.100 0.234 0.000 1.148 115 T CB -0.437 68.526 68.868 0.158 0.000 0.863 115 T HN 0.364 nan 8.240 nan 0.000 0.436 116 H N -0.122 119.047 119.070 0.164 0.000 2.353 116 H HA -0.069 4.532 4.556 0.075 0.000 0.300 116 H C 2.207 177.639 175.328 0.173 0.000 1.090 116 H CA 1.586 57.714 56.048 0.134 0.000 1.327 116 H CB -0.410 29.403 29.762 0.086 0.000 1.383 116 H HN 0.399 nan 8.280 nan 0.000 0.508 117 F N 2.110 122.151 119.950 0.152 0.000 2.126 117 F HA -0.197 4.375 4.527 0.076 0.000 0.299 117 F C 1.977 177.783 175.800 0.009 0.000 1.096 117 F CA 1.705 59.748 58.000 0.071 0.000 1.255 117 F CB -0.349 38.684 39.000 0.055 0.000 0.997 117 F HN 0.055 nan 8.300 nan 0.000 0.479 118 D N -1.018 119.415 120.400 0.056 0.000 2.265 118 D HA -0.172 4.512 4.640 0.074 0.000 0.208 118 D C 1.369 177.472 176.300 -0.328 0.000 0.977 118 D CA 1.317 55.221 54.000 -0.160 0.000 0.871 118 D CB -0.436 40.340 40.800 -0.040 0.000 0.925 118 D HN 0.536 nan 8.370 nan 0.000 0.485 119 H N -0.430 118.513 119.070 -0.210 0.000 2.528 119 H HA 0.200 4.800 4.556 0.073 0.000 0.282 119 H C 1.098 176.262 175.328 -0.273 0.000 1.097 119 H CA -0.095 55.823 56.048 -0.217 0.000 1.121 119 H CB 0.738 30.375 29.762 -0.207 0.000 1.590 119 H HN 0.258 nan 8.280 nan 0.000 0.553 120 E N 0.848 120.913 120.200 -0.226 0.000 2.051 120 E HA -0.065 4.330 4.350 0.074 0.000 0.192 120 E C 0.557 177.036 176.600 -0.202 0.000 0.991 120 E CA 0.633 56.879 56.400 -0.256 0.000 0.799 120 E CB 0.375 29.915 29.700 -0.267 0.000 0.748 120 E HN 0.159 nan 8.360 nan 0.000 0.449 121 R N 1.298 121.714 120.500 -0.141 0.000 2.543 121 R HA 0.259 4.644 4.340 0.074 0.000 0.277 121 R C 0.464 176.790 176.300 0.043 0.000 1.074 121 R CA -0.000 56.083 56.100 -0.029 0.000 1.076 121 R CB 0.126 30.391 30.300 -0.057 0.000 0.993 121 R HN 0.233 nan 8.270 nan 0.000 0.459 122 I N -0.904 119.750 120.570 0.139 0.000 2.957 122 I HA 0.589 4.804 4.170 0.074 0.000 0.310 122 I C -2.235 173.927 176.117 0.074 0.000 1.063 122 I CA -3.004 58.368 61.300 0.120 0.000 1.033 122 I CB 1.894 40.001 38.000 0.178 0.000 1.230 122 I HN 0.248 nan 8.210 nan 0.000 0.447 123 P HA 0.127 nan 4.420 nan 0.000 0.268 123 P C -0.916 176.395 177.300 0.019 0.000 1.204 123 P CA -0.074 63.036 63.100 0.016 0.000 0.768 123 P CB 0.441 32.139 31.700 -0.002 0.000 0.842 124 E N 2.616 122.829 120.200 0.022 0.000 2.342 124 E HA 0.240 4.635 4.350 0.074 0.000 0.257 124 E C -0.450 176.155 176.600 0.007 0.000 1.150 124 E CA -0.921 55.496 56.400 0.028 0.000 0.926 124 E CB 0.647 30.371 29.700 0.040 0.000 1.074 124 E HN 0.247 nan 8.360 nan 0.000 0.449 125 R N 0.609 121.115 120.500 0.010 0.000 2.585 125 R HA -0.010 4.375 4.340 0.074 0.000 0.275 125 R C 1.168 177.469 176.300 0.002 0.000 1.018 125 R CA 0.050 56.149 56.100 -0.003 0.000 1.072 125 R CB 0.170 30.480 30.300 0.016 0.000 0.953 125 R HN 0.657 nan 8.270 nan 0.000 0.419 126 I N 3.332 123.894 120.570 -0.013 0.000 2.194 126 I HA -0.217 3.997 4.170 0.074 0.000 0.246 126 I C 0.380 176.511 176.117 0.023 0.000 1.093 126 I CA 1.495 62.795 61.300 0.000 0.000 1.355 126 I CB 0.366 38.364 38.000 -0.004 0.000 1.046 126 I HN 0.384 nan 8.210 nan 0.000 0.413 127 V N -2.022 117.920 119.914 0.047 0.000 3.040 127 V HA 0.530 4.695 4.120 0.074 0.000 0.312 127 V C -0.029 176.117 176.094 0.088 0.000 1.115 127 V CA -0.585 61.767 62.300 0.087 0.000 0.998 127 V CB 1.297 33.226 31.823 0.176 0.000 1.042 127 V HN 0.442 nan 8.190 nan 0.000 0.433 128 N N 0.071 118.835 118.700 0.106 0.000 2.747 128 N HA -0.180 4.605 4.740 0.074 0.000 0.249 128 N C 0.949 176.507 175.510 0.081 0.000 1.107 128 N CA 1.021 54.130 53.050 0.099 0.000 0.707 128 N CB -1.189 37.351 38.487 0.088 0.000 1.054 128 N HN 1.247 nan 8.380 nan 0.000 0.555 129 A N -0.333 122.533 122.820 0.077 0.000 1.969 129 A HA -0.018 4.347 4.320 0.074 0.000 0.218 129 A C 1.456 179.107 177.584 0.110 0.000 1.169 129 A CA 1.144 53.228 52.037 0.078 0.000 0.635 129 A CB 0.008 19.043 19.000 0.059 0.000 0.810 129 A HN 0.296 nan 8.150 nan 0.000 0.445 130 R N 0.628 121.201 120.500 0.121 0.000 2.220 130 R HA 0.483 4.867 4.340 0.074 0.000 0.340 130 R C -0.130 176.280 176.300 0.183 0.000 1.076 130 R CA 0.557 56.752 56.100 0.159 0.000 0.920 130 R CB -0.134 30.255 30.300 0.149 0.000 1.062 130 R HN 0.288 nan 8.270 nan 0.000 0.469 131 G N 0.886 109.813 108.800 0.211 0.000 2.659 131 G HA2 0.542 4.547 3.960 0.074 0.000 0.296 131 G HA3 0.542 4.547 3.960 0.074 0.000 0.296 131 G C -1.464 173.567 174.900 0.219 0.000 1.369 131 G CA -0.540 44.650 45.100 0.149 0.000 0.937 131 G HN 0.462 nan 8.290 nan 0.000 0.485 132 S N -0.802 114.985 115.700 0.145 0.000 2.532 132 S HA 0.843 5.357 4.470 0.074 0.000 0.299 132 S C -0.091 174.508 174.600 -0.002 0.000 1.105 132 S CA -0.306 58.036 58.200 0.237 0.000 1.018 132 S CB 1.669 65.144 63.200 0.459 0.000 1.021 132 S HN 1.312 nan 8.310 nan 0.000 0.483 133 A N 1.897 124.662 122.820 -0.092 0.000 2.430 133 A HA 1.036 5.401 4.320 0.074 0.000 0.300 133 A C -0.761 176.602 177.584 -0.368 0.000 1.124 133 A CA -0.744 51.041 52.037 -0.420 0.000 0.766 133 A CB 1.598 20.203 19.000 -0.660 0.000 1.328 133 A HN 1.248 nan 8.150 nan 0.000 0.424 134 A N 0.352 122.785 122.820 -0.644 0.000 2.609 134 A HA 0.728 5.093 4.320 0.074 0.000 0.291 134 A C -1.111 176.261 177.584 -0.352 0.000 1.096 134 A CA -0.678 51.149 52.037 -0.350 0.000 0.684 134 A CB 0.763 19.663 19.000 -0.167 0.000 1.282 134 A HN 0.890 nan 8.150 nan 0.000 0.412 135 H N -0.314 118.773 119.070 0.029 0.000 2.483 135 H HA 0.703 5.304 4.556 0.074 0.000 0.338 135 H C 0.539 175.861 175.328 -0.010 0.000 1.152 135 H CA 0.510 56.633 56.048 0.125 0.000 1.264 135 H CB 1.847 31.692 29.762 0.137 0.000 1.510 135 H HN 1.152 nan 8.280 nan 0.000 0.530 136 G N 0.680 109.570 108.800 0.150 0.000 2.500 136 G HA2 0.343 4.347 3.960 0.074 0.000 0.299 136 G HA3 0.343 4.347 3.960 0.074 0.000 0.299 136 G C -2.068 172.933 174.900 0.169 0.000 1.242 136 G CA -0.740 44.400 45.100 0.066 0.000 0.859 136 G HN 0.626 nan 8.290 nan 0.000 0.481 137 Y N -1.570 118.759 120.300 0.049 0.000 2.588 137 Y HA 0.849 5.444 4.550 0.074 0.000 0.343 137 Y C -1.522 174.498 175.900 0.201 0.000 1.065 137 Y CA -1.969 56.202 58.100 0.118 0.000 1.038 137 Y CB 1.986 40.493 38.460 0.077 0.000 1.297 137 Y HN 0.746 nan 8.280 nan 0.000 0.467 138 F N 2.215 122.301 119.950 0.227 0.000 2.561 138 F HA 0.697 5.270 4.527 0.076 0.000 0.321 138 F C -1.144 174.853 175.800 0.328 0.000 1.065 138 F CA -0.691 57.452 58.000 0.239 0.000 0.934 138 F CB 2.328 41.577 39.000 0.416 0.000 1.215 138 F HN 0.778 nan 8.300 nan 0.000 0.471 139 Q N 6.634 125.823 119.800 -1.018 0.000 2.281 139 Q HA 0.429 4.813 4.340 0.074 0.000 0.263 139 Q C -2.993 172.371 176.000 -1.060 0.000 0.989 139 Q CA -2.270 53.121 55.803 -0.687 0.000 0.852 139 Q CB 2.828 31.480 28.738 -0.143 0.000 1.337 139 Q HN 0.351 nan 8.270 nan 0.000 0.418 140 P HA 0.027 nan 4.420 nan 0.000 0.274 140 P C -0.453 176.706 177.300 -0.235 0.000 1.231 140 P CA 0.163 63.037 63.100 -0.377 0.000 0.790 140 P CB 0.594 32.255 31.700 -0.065 0.000 0.951 141 Y N 1.152 121.399 120.300 -0.087 0.000 2.286 141 Y HA -0.062 4.533 4.550 0.075 0.000 0.293 141 Y C 1.485 177.362 175.900 -0.038 0.000 1.124 141 Y CA 0.633 58.700 58.100 -0.055 0.000 1.178 141 Y CB 0.221 38.656 38.460 -0.041 0.000 1.010 141 Y HN 0.364 nan 8.280 nan 0.000 0.536 142 K N -1.332 119.137 120.400 0.114 0.000 2.555 142 K HA 0.402 4.766 4.320 0.074 0.000 0.279 142 K C -0.933 175.678 176.600 0.019 0.000 0.986 142 K CA -0.951 55.371 56.287 0.058 0.000 0.880 142 K CB 1.555 34.089 32.500 0.057 0.000 1.474 142 K HN -0.310 nan 8.250 nan 0.000 0.433 143 S N 0.741 116.448 115.700 0.011 0.000 2.537 143 S HA 0.123 4.638 4.470 0.074 0.000 0.286 143 S C 0.404 174.998 174.600 -0.011 0.000 1.299 143 S CA -0.513 57.684 58.200 -0.004 0.000 1.067 143 S CB -0.185 63.015 63.200 -0.001 0.000 0.864 143 S HN 0.529 nan 8.310 nan 0.000 0.494 144 L N 4.652 125.859 121.223 -0.027 0.000 2.872 144 L HA 0.135 4.519 4.340 0.074 0.000 0.245 144 L C 1.986 178.840 176.870 -0.027 0.000 1.211 144 L CA -0.021 54.808 54.840 -0.019 0.000 1.013 144 L CB -0.144 41.908 42.059 -0.012 0.000 1.326 144 L HN 0.822 nan 8.230 nan 0.000 0.525 145 S N -1.623 114.059 115.700 -0.029 0.000 2.442 145 S HA -0.167 4.348 4.470 0.074 0.000 0.236 145 S C 1.224 175.806 174.600 -0.031 0.000 1.007 145 S CA 1.006 59.185 58.200 -0.034 0.000 0.965 145 S CB -0.091 63.094 63.200 -0.026 0.000 0.773 145 S HN 0.402 nan 8.310 nan 0.000 0.504 146 D N 1.927 122.314 120.400 -0.021 0.000 2.269 146 D HA 0.036 4.720 4.640 0.074 0.000 0.208 146 D C 1.840 178.121 176.300 -0.032 0.000 0.963 146 D CA 1.340 55.327 54.000 -0.023 0.000 0.864 146 D CB -0.157 40.635 40.800 -0.013 0.000 0.936 146 D HN 0.802 nan 8.370 nan 0.000 0.505 147 I N -3.558 116.993 120.570 -0.032 0.000 4.139 147 I HA 0.203 4.418 4.170 0.074 0.000 0.320 147 I C 0.462 176.533 176.117 -0.078 0.000 1.290 147 I CA 0.115 61.387 61.300 -0.047 0.000 1.253 147 I CB 1.151 39.143 38.000 -0.014 0.000 1.122 147 I HN -0.260 nan 8.210 nan 0.000 0.421 148 T N 1.342 115.852 114.554 -0.073 0.000 2.923 148 T HA 0.362 4.757 4.350 0.074 0.000 0.311 148 T C -0.107 174.534 174.700 -0.099 0.000 1.183 148 T CA -0.677 61.359 62.100 -0.107 0.000 1.020 148 T CB 1.872 70.663 68.868 -0.128 0.000 1.165 148 T HN 0.430 nan 8.240 nan 0.000 0.482 149 K N 2.080 122.417 120.400 -0.105 0.000 2.374 149 K HA 0.624 4.989 4.320 0.074 0.000 0.196 149 K C 0.779 177.330 176.600 -0.082 0.000 1.023 149 K CA -0.337 55.901 56.287 -0.082 0.000 1.103 149 K CB 0.358 32.816 32.500 -0.070 0.000 0.848 149 K HN 0.509 nan 8.250 nan 0.000 0.528 150 A N 2.131 124.876 122.820 -0.125 0.000 2.566 150 A HA -0.088 4.276 4.320 0.074 0.000 0.245 150 A C 0.547 178.073 177.584 -0.097 0.000 1.056 150 A CA 0.249 52.214 52.037 -0.120 0.000 0.757 150 A CB 0.031 18.874 19.000 -0.262 0.000 0.979 150 A HN 0.445 nan 8.150 nan 0.000 0.508 151 D N 1.762 122.182 120.400 0.033 0.000 2.178 151 D HA -0.179 4.506 4.640 0.074 0.000 0.202 151 D C 1.313 177.690 176.300 0.128 0.000 0.974 151 D CA 2.017 56.061 54.000 0.074 0.000 0.841 151 D CB -0.219 40.648 40.800 0.110 0.000 0.953 151 D HN 0.725 nan 8.370 nan 0.000 0.478 152 F N -0.836 119.139 119.950 0.041 0.000 2.771 152 F HA 0.201 4.773 4.527 0.075 0.000 0.299 152 F C 0.892 176.790 175.800 0.164 0.000 1.177 152 F CA 0.316 58.384 58.000 0.114 0.000 1.450 152 F CB -0.158 38.903 39.000 0.102 0.000 1.114 152 F HN -0.063 nan 8.300 nan 0.000 0.587 153 L N 0.454 121.451 121.223 -0.376 0.000 2.906 153 L HA 0.199 4.583 4.340 0.074 0.000 0.255 153 L C 1.960 178.763 176.870 -0.112 0.000 1.166 153 L CA 0.397 55.068 54.840 -0.283 0.000 0.977 153 L CB 0.114 41.873 42.059 -0.500 0.000 1.313 153 L HN 0.289 nan 8.230 nan 0.000 0.549 154 S N -2.296 113.370 115.700 -0.056 0.000 2.528 154 S HA 0.037 4.552 4.470 0.074 0.000 0.219 154 S C 0.458 175.061 174.600 0.005 0.000 0.985 154 S CA 0.057 58.243 58.200 -0.023 0.000 0.914 154 S CB 0.182 63.378 63.200 -0.007 0.000 0.776 154 S HN 0.303 nan 8.310 nan 0.000 0.526 155 D N 0.909 121.324 120.400 0.025 0.000 2.764 155 D HA 0.316 5.000 4.640 0.074 0.000 0.227 155 D C -2.446 173.873 176.300 0.032 0.000 1.347 155 D CA -1.783 52.235 54.000 0.030 0.000 0.953 155 D CB 2.250 43.074 40.800 0.040 0.000 1.476 155 D HN -0.113 nan 8.370 nan 0.000 0.585 156 P HA -0.048 nan 4.420 nan 0.000 0.225 156 P C 0.427 177.740 177.300 0.023 0.000 1.148 156 P CA 0.624 63.735 63.100 0.019 0.000 0.779 156 P CB 0.535 32.256 31.700 0.035 0.000 0.780 157 N N -0.325 118.391 118.700 0.027 0.000 2.230 157 N HA 0.077 4.862 4.740 0.074 0.000 0.202 157 N C 0.215 175.743 175.510 0.030 0.000 1.119 157 N CA 0.210 53.275 53.050 0.024 0.000 0.851 157 N CB 0.586 39.085 38.487 0.020 0.000 0.990 157 N HN 0.280 nan 8.380 nan 0.000 0.497 158 K N 0.941 121.370 120.400 0.048 0.000 2.274 158 K HA 0.465 4.829 4.320 0.074 0.000 0.262 158 K C -0.339 176.329 176.600 0.114 0.000 0.961 158 K CA -0.354 55.977 56.287 0.073 0.000 0.833 158 K CB 2.188 34.740 32.500 0.087 0.000 1.102 158 K HN -0.102 nan 8.250 nan 0.000 0.436 159 I N 1.745 122.383 120.570 0.113 0.000 2.488 159 I HA 0.225 4.440 4.170 0.074 0.000 0.299 159 I C -0.129 176.139 176.117 0.252 0.000 0.984 159 I CA -0.377 61.028 61.300 0.174 0.000 1.250 159 I CB 1.976 40.020 38.000 0.073 0.000 1.389 159 I HN 0.511 nan 8.210 nan 0.000 0.488 160 T N 6.100 120.884 114.554 0.383 0.000 2.809 160 T HA 0.348 4.743 4.350 0.074 0.000 0.284 160 T C -2.538 172.403 174.700 0.401 0.000 0.992 160 T CA -1.310 61.038 62.100 0.413 0.000 0.957 160 T CB 1.694 70.900 68.868 0.563 0.000 0.942 160 T HN 0.233 nan 8.240 nan 0.000 0.439 161 P HA 0.241 nan 4.420 nan 0.000 0.268 161 P C -0.493 177.052 177.300 0.409 0.000 1.204 161 P CA -0.389 62.892 63.100 0.302 0.000 0.768 161 P CB 0.524 32.312 31.700 0.148 0.000 0.842 162 V N 0.950 121.042 119.914 0.295 0.000 3.046 162 V HA 0.746 4.910 4.120 0.074 0.000 0.316 162 V C -1.247 175.024 176.094 0.296 0.000 1.104 162 V CA -0.978 61.414 62.300 0.155 0.000 1.006 162 V CB 2.215 33.913 31.823 -0.209 0.000 1.058 162 V HN 0.306 nan 8.190 nan 0.000 0.440 163 F N 1.685 121.630 119.950 -0.008 0.000 2.562 163 F HA 0.816 5.387 4.527 0.073 0.000 0.319 163 F C -0.881 174.817 175.800 -0.170 0.000 1.154 163 F CA -0.694 57.254 58.000 -0.086 0.000 0.931 163 F CB 1.863 40.846 39.000 -0.028 0.000 1.198 163 F HN 0.526 nan 8.300 nan 0.000 0.444 164 V N 6.411 125.853 119.914 -0.786 0.000 2.581 164 V HA 0.597 4.762 4.120 0.074 0.000 0.303 164 V C -0.672 174.757 176.094 -1.108 0.000 1.041 164 V CA -0.868 60.904 62.300 -0.881 0.000 0.907 164 V CB 2.013 33.248 31.823 -0.980 0.000 0.994 164 V HN 0.720 nan 8.190 nan 0.000 0.442 165 R N 3.379 123.260 120.500 -1.031 0.000 2.451 165 R HA 0.564 4.948 4.340 0.074 0.000 0.307 165 R C -1.665 174.064 176.300 -0.952 0.000 0.965 165 R CA -0.422 55.169 56.100 -0.849 0.000 0.865 165 R CB 1.032 31.079 30.300 -0.422 0.000 1.174 165 R HN 0.555 nan 8.270 nan 0.000 0.455 166 F N 2.095 121.636 119.950 -0.682 0.000 2.377 166 F HA 0.508 5.081 4.527 0.076 0.000 0.328 166 F C 0.595 176.027 175.800 -0.613 0.000 1.094 166 F CA -0.086 57.387 58.000 -0.878 0.000 1.093 166 F CB 2.009 39.973 39.000 -1.726 0.000 1.214 166 F HN 0.593 nan 8.300 nan 0.000 0.518 167 S N -1.077 114.515 115.700 -0.180 0.000 2.643 167 S HA 0.640 5.155 4.470 0.074 0.000 0.270 167 S C -0.605 174.095 174.600 0.167 0.000 1.166 167 S CA -0.945 57.273 58.200 0.031 0.000 0.815 167 S CB 1.367 64.581 63.200 0.023 0.000 1.139 167 S HN 0.716 nan 8.310 nan 0.000 0.472 168 T N -1.751 112.928 114.554 0.209 0.000 2.867 168 T HA 0.708 5.103 4.350 0.074 0.000 0.286 168 T C 0.738 175.545 174.700 0.178 0.000 1.022 168 T CA -0.247 61.984 62.100 0.217 0.000 0.933 168 T CB 0.565 69.559 68.868 0.209 0.000 1.280 168 T HN 0.559 nan 8.240 nan 0.000 0.566 169 V N -0.182 119.839 119.914 0.179 0.000 2.854 169 V HA 0.094 4.259 4.120 0.074 0.000 0.236 169 V C 2.811 178.978 176.094 0.123 0.000 1.157 169 V CA 0.338 62.748 62.300 0.183 0.000 1.187 169 V CB -0.381 31.604 31.823 0.269 0.000 0.949 169 V HN 0.859 nan 8.190 nan 0.000 0.488 170 Q N 1.081 120.934 119.800 0.087 0.000 1.990 170 Q HA -0.001 4.384 4.340 0.074 0.000 0.200 170 Q C 1.334 177.344 176.000 0.016 0.000 0.980 170 Q CA 1.570 57.387 55.803 0.022 0.000 0.832 170 Q CB -0.585 28.142 28.738 -0.018 0.000 0.897 170 Q HN 0.591 nan 8.270 nan 0.000 0.427 171 G N -0.143 108.676 108.800 0.032 0.000 2.614 171 G HA2 0.322 4.327 3.960 0.074 0.000 0.239 171 G HA3 0.322 4.327 3.960 0.074 0.000 0.239 171 G C 0.207 175.124 174.900 0.029 0.000 1.240 171 G CA 0.119 45.232 45.100 0.022 0.000 0.842 171 G HN 0.362 nan 8.290 nan 0.000 0.584 172 G N -0.801 108.006 108.800 0.012 0.000 2.653 172 G HA2 0.477 4.482 3.960 0.074 0.000 0.265 172 G HA3 0.477 4.482 3.960 0.074 0.000 0.265 172 G C 1.377 176.303 174.900 0.044 0.000 1.237 172 G CA 0.442 45.554 45.100 0.019 0.000 0.946 172 G HN 1.092 nan 8.290 nan 0.000 0.522 173 A N -0.761 122.091 122.820 0.054 0.000 1.978 173 A HA 0.101 4.465 4.320 0.074 0.000 0.220 173 A C 2.225 179.842 177.584 0.055 0.000 1.170 173 A CA 2.050 54.136 52.037 0.081 0.000 0.636 173 A CB -0.488 18.570 19.000 0.098 0.000 0.810 173 A HN 1.164 nan 8.150 nan 0.000 0.448 174 G N -0.157 108.657 108.800 0.024 0.000 3.371 174 G HA2 0.354 4.359 3.960 0.074 0.000 0.248 174 G HA3 0.354 4.359 3.960 0.074 0.000 0.248 174 G C 0.616 175.518 174.900 0.004 0.000 1.161 174 G CA 0.634 45.736 45.100 0.003 0.000 0.796 174 G HN 0.656 nan 8.290 nan 0.000 0.539 175 S N -0.338 115.374 115.700 0.020 0.000 2.686 175 S HA 0.768 5.283 4.470 0.074 0.000 0.270 175 S C 0.458 175.075 174.600 0.029 0.000 1.194 175 S CA -0.163 58.047 58.200 0.016 0.000 0.990 175 S CB 1.662 64.874 63.200 0.020 0.000 1.029 175 S HN 0.528 nan 8.310 nan 0.000 0.560 176 A N 0.163 122.995 122.820 0.021 0.000 2.304 176 A HA 0.438 4.803 4.320 0.074 0.000 0.271 176 A C 0.545 178.152 177.584 0.038 0.000 1.091 176 A CA -0.554 51.491 52.037 0.014 0.000 0.812 176 A CB -0.107 18.884 19.000 -0.014 0.000 1.056 176 A HN 0.859 nan 8.150 nan 0.000 0.489 177 D N 0.294 120.700 120.400 0.010 0.000 2.149 177 D HA -0.057 4.628 4.640 0.074 0.000 0.206 177 D C 1.724 177.985 176.300 -0.065 0.000 0.967 177 D CA 2.250 56.257 54.000 0.013 0.000 0.848 177 D CB -0.306 40.458 40.800 -0.060 0.000 0.998 177 D HN 0.676 nan 8.370 nan 0.000 0.474 178 T N -0.150 114.291 114.554 -0.189 0.000 3.366 178 T HA 0.237 4.632 4.350 0.074 0.000 0.249 178 T C 0.998 175.692 174.700 -0.010 0.000 1.028 178 T CA -0.475 61.520 62.100 -0.175 0.000 0.938 178 T CB -0.994 67.701 68.868 -0.288 0.000 1.046 178 T HN -0.037 nan 8.240 nan 0.000 0.587 179 V N -1.039 118.915 119.914 0.065 0.000 3.566 179 V HA 0.379 4.543 4.120 0.074 0.000 0.301 179 V C 0.672 176.912 176.094 0.244 0.000 1.105 179 V CA -1.286 61.111 62.300 0.162 0.000 1.142 179 V CB 0.307 32.212 31.823 0.137 0.000 1.107 179 V HN 0.539 nan 8.190 nan 0.000 0.481 180 R N 1.410 122.096 120.500 0.310 0.000 2.234 180 R HA 0.505 4.890 4.340 0.074 0.000 0.324 180 R C -0.894 175.490 176.300 0.140 0.000 1.054 180 R CA -0.120 56.112 56.100 0.220 0.000 0.912 180 R CB 0.334 30.689 30.300 0.093 0.000 1.030 180 R HN 1.083 nan 8.270 nan 0.000 0.455 181 D N 3.003 123.498 120.400 0.159 0.000 2.808 181 D HA 0.161 4.846 4.640 0.074 0.000 0.294 181 D C -0.902 175.522 176.300 0.207 0.000 1.278 181 D CA -0.581 53.514 54.000 0.158 0.000 0.756 181 D CB 1.054 41.950 40.800 0.159 0.000 1.271 181 D HN 0.226 nan 8.370 nan 0.000 0.425 182 I N 1.226 121.941 120.570 0.242 0.000 2.764 182 I HA 0.325 4.540 4.170 0.074 0.000 0.294 182 I C 0.802 177.065 176.117 0.244 0.000 1.045 182 I CA -0.222 61.219 61.300 0.234 0.000 1.340 182 I CB 0.339 38.498 38.000 0.265 0.000 1.436 182 I HN 0.251 nan 8.210 nan 0.000 0.567 183 R N 2.543 123.184 120.500 0.236 0.000 2.589 183 R HA 0.561 4.946 4.340 0.074 0.000 0.293 183 R C -0.057 176.365 176.300 0.204 0.000 0.963 183 R CA -0.705 55.537 56.100 0.237 0.000 0.905 183 R CB 1.451 31.913 30.300 0.269 0.000 1.144 183 R HN 0.807 nan 8.270 nan 0.000 0.459 184 G N 0.945 109.833 108.800 0.147 0.000 2.425 184 G HA2 0.473 4.478 3.960 0.074 0.000 0.302 184 G HA3 0.473 4.478 3.960 0.074 0.000 0.302 184 G C -1.269 173.677 174.900 0.077 0.000 1.159 184 G CA -0.102 45.058 45.100 0.099 0.000 0.865 184 G HN 0.371 nan 8.290 nan 0.000 0.515 185 F N 1.799 121.655 119.950 -0.157 0.000 2.949 185 F HA 0.643 5.214 4.527 0.073 0.000 0.376 185 F C -0.148 175.377 175.800 -0.458 0.000 1.205 185 F CA -1.907 55.913 58.000 -0.300 0.000 1.155 185 F CB 0.894 39.810 39.000 -0.139 0.000 1.495 185 F HN 0.644 nan 8.300 nan 0.000 0.551 186 A N 3.242 125.794 122.820 -0.447 0.000 2.304 186 A HA 0.791 5.156 4.320 0.074 0.000 0.323 186 A C -0.514 176.576 177.584 -0.824 0.000 1.195 186 A CA -0.391 51.180 52.037 -0.777 0.000 0.826 186 A CB 0.782 18.923 19.000 -1.430 0.000 1.184 186 A HN 0.540 nan 8.150 nan 0.000 0.496 187 T N 2.268 116.505 114.554 -0.527 0.000 2.840 187 T HA 0.399 4.794 4.350 0.074 0.000 0.287 187 T C -0.471 174.043 174.700 -0.310 0.000 0.991 187 T CA -0.471 61.356 62.100 -0.455 0.000 0.964 187 T CB 1.064 69.610 68.868 -0.537 0.000 0.954 187 T HN 0.624 nan 8.240 nan 0.000 0.438 188 K N 3.544 123.833 120.400 -0.185 0.000 2.316 188 K HA 0.469 4.834 4.320 0.074 0.000 0.267 188 K C -1.296 175.001 176.600 -0.505 0.000 1.025 188 K CA -0.613 55.524 56.287 -0.251 0.000 0.896 188 K CB 0.345 32.699 32.500 -0.244 0.000 1.124 188 K HN 0.383 nan 8.250 nan 0.000 0.451 189 F N 4.129 123.790 119.950 -0.482 0.000 2.391 189 F HA 0.241 4.812 4.527 0.073 0.000 0.359 189 F C -0.357 175.241 175.800 -0.336 0.000 1.122 189 F CA -0.550 57.228 58.000 -0.369 0.000 1.120 189 F CB 0.658 39.331 39.000 -0.545 0.000 1.142 189 F HN 0.423 nan 8.300 nan 0.000 0.483 190 Y N 1.902 122.261 120.300 0.100 0.000 2.636 190 Y HA 0.226 4.820 4.550 0.074 0.000 0.341 190 Y C 1.080 177.038 175.900 0.096 0.000 1.169 190 Y CA -0.858 57.284 58.100 0.071 0.000 1.498 190 Y CB -0.232 38.260 38.460 0.053 0.000 1.362 190 Y HN 0.570 nan 8.280 nan 0.000 0.494 191 T N -2.343 112.310 114.554 0.165 0.000 2.824 191 T HA 0.169 4.564 4.350 0.074 0.000 0.277 191 T C 0.990 175.786 174.700 0.159 0.000 0.975 191 T CA -0.660 61.543 62.100 0.173 0.000 0.966 191 T CB 1.051 70.006 68.868 0.144 0.000 1.054 191 T HN 0.644 nan 8.240 nan 0.000 0.533 192 E N -0.154 120.141 120.200 0.159 0.000 2.358 192 E HA -0.012 4.383 4.350 0.074 0.000 0.195 192 E C 1.069 177.731 176.600 0.104 0.000 1.010 192 E CA 0.602 57.075 56.400 0.122 0.000 0.856 192 E CB 0.146 29.913 29.700 0.111 0.000 0.795 192 E HN 0.724 nan 8.360 nan 0.000 0.504 193 E N 0.344 120.609 120.200 0.109 0.000 2.585 193 E HA 0.256 4.651 4.350 0.074 0.000 0.206 193 E C 0.047 176.693 176.600 0.076 0.000 1.007 193 E CA -0.279 56.176 56.400 0.091 0.000 1.028 193 E CB 1.186 30.942 29.700 0.093 0.000 1.087 193 E HN 0.187 nan 8.360 nan 0.000 0.455 194 G N 1.086 109.927 108.800 0.069 0.000 2.440 194 G HA2 -0.120 3.884 3.960 0.074 0.000 0.684 194 G HA3 -0.120 3.884 3.960 0.074 0.000 0.684 194 G C -0.851 174.057 174.900 0.013 0.000 1.309 194 G CA -1.112 44.006 45.100 0.030 0.000 0.931 194 G HN 0.042 nan 8.290 nan 0.000 0.612 195 I N 0.679 121.219 120.570 -0.050 0.000 2.496 195 I HA 0.412 4.627 4.170 0.074 0.000 0.285 195 I C -0.040 176.072 176.117 -0.008 0.000 1.080 195 I CA -0.075 61.170 61.300 -0.093 0.000 1.404 195 I CB 0.983 38.861 38.000 -0.202 0.000 1.403 195 I HN 0.468 nan 8.210 nan 0.000 0.539 196 F N 6.690 126.529 119.950 -0.184 0.000 2.427 196 F HA 0.454 5.024 4.527 0.072 0.000 0.348 196 F C -0.693 175.076 175.800 -0.051 0.000 1.125 196 F CA -1.357 56.531 58.000 -0.187 0.000 0.989 196 F CB 0.773 39.504 39.000 -0.448 0.000 1.165 196 F HN 0.342 nan 8.300 nan 0.000 0.442 197 D N 7.084 127.366 120.400 -0.195 0.000 2.280 197 D HA 0.252 4.936 4.640 0.074 0.000 0.236 197 D C -0.598 175.356 176.300 -0.576 0.000 1.082 197 D CA -0.005 53.826 54.000 -0.283 0.000 0.834 197 D CB 2.480 43.327 40.800 0.078 0.000 1.100 197 D HN 0.636 nan 8.370 nan 0.000 0.486 198 L N 3.164 123.966 121.223 -0.702 0.000 2.321 198 L HA 0.238 4.622 4.340 0.074 0.000 0.272 198 L C -0.834 175.882 176.870 -0.257 0.000 1.050 198 L CA -0.666 53.842 54.840 -0.554 0.000 0.893 198 L CB 0.642 42.330 42.059 -0.618 0.000 1.272 198 L HN 0.068 nan 8.230 nan 0.000 0.435 199 V N 4.898 124.722 119.914 -0.149 0.000 2.258 199 V HA 0.445 4.610 4.120 0.074 0.000 0.258 199 V C 0.905 176.982 176.094 -0.029 0.000 1.121 199 V CA -0.258 61.970 62.300 -0.121 0.000 0.942 199 V CB 0.162 31.931 31.823 -0.089 0.000 1.170 199 V HN 0.782 nan 8.190 nan 0.000 0.487 200 G N 3.195 111.971 108.800 -0.040 0.000 3.075 200 G HA2 0.665 4.669 3.960 0.074 0.000 0.253 200 G HA3 0.665 4.669 3.960 0.074 0.000 0.253 200 G C -0.855 174.083 174.900 0.062 0.000 1.353 200 G CA -0.629 44.480 45.100 0.017 0.000 1.051 200 G HN 0.489 nan 8.290 nan 0.000 0.553 201 N N -1.066 117.700 118.700 0.111 0.000 2.761 201 N HA 0.260 5.044 4.740 0.074 0.000 0.283 201 N C 0.319 175.988 175.510 0.266 0.000 1.377 201 N CA -0.755 52.400 53.050 0.174 0.000 0.791 201 N CB 1.301 39.866 38.487 0.129 0.000 1.540 201 N HN 0.509 nan 8.380 nan 0.000 0.539 202 N N -1.333 117.536 118.700 0.282 0.000 2.268 202 N HA 0.010 4.794 4.740 0.074 0.000 0.204 202 N C -0.703 175.044 175.510 0.395 0.000 1.124 202 N CA -0.079 53.190 53.050 0.365 0.000 0.838 202 N CB -0.148 38.535 38.487 0.326 0.000 0.994 202 N HN 0.539 nan 8.380 nan 0.000 0.489 203 T N -3.471 111.160 114.554 0.128 0.000 2.900 203 T HA 0.432 4.827 4.350 0.074 0.000 0.295 203 T C -2.554 171.589 174.700 -0.929 0.000 1.044 203 T CA -1.587 60.202 62.100 -0.520 0.000 0.995 203 T CB 2.937 71.373 68.868 -0.720 0.000 1.072 203 T HN -0.276 nan 8.240 nan 0.000 0.473 204 P HA 0.132 nan 4.420 nan 0.000 0.237 204 P C 0.547 177.331 177.300 -0.861 0.000 1.178 204 P CA 0.297 62.485 63.100 -1.520 0.000 0.766 204 P CB -0.090 30.667 31.700 -1.572 0.000 0.876 205 I N -4.602 115.426 120.570 -0.904 0.000 3.145 205 I HA 0.543 4.758 4.170 0.074 0.000 0.313 205 I C -1.097 174.735 176.117 -0.474 0.000 1.122 205 I CA -2.162 58.769 61.300 -0.615 0.000 0.987 205 I CB 1.281 38.909 38.000 -0.621 0.000 1.236 205 I HN -0.250 nan 8.210 nan 0.000 0.453 206 F N 0.871 120.542 119.950 -0.465 0.000 2.557 206 F HA 0.499 5.072 4.527 0.077 0.000 0.336 206 F C 0.477 176.049 175.800 -0.380 0.000 1.058 206 F CA -0.716 57.047 58.000 -0.395 0.000 0.988 206 F CB 1.786 40.675 39.000 -0.184 0.000 1.275 206 F HN 0.401 nan 8.300 nan 0.000 0.488 207 F N 2.274 121.460 119.950 -1.273 0.000 2.234 207 F HA -0.003 4.568 4.527 0.073 0.000 0.299 207 F C 0.734 176.278 175.800 -0.427 0.000 1.087 207 F CA 0.870 58.336 58.000 -0.890 0.000 1.340 207 F CB -0.234 37.871 39.000 -1.492 0.000 1.031 207 F HN 0.152 nan 8.300 nan 0.000 0.500 208 I N -3.399 117.180 120.570 0.015 0.000 3.108 208 I HA 0.383 4.597 4.170 0.074 0.000 0.312 208 I C 0.395 176.657 176.117 0.242 0.000 1.095 208 I CA -0.836 60.569 61.300 0.176 0.000 1.000 208 I CB 1.842 40.003 38.000 0.269 0.000 1.229 208 I HN -0.168 nan 8.210 nan 0.000 0.454 209 Q N 0.048 119.994 119.800 0.244 0.000 2.390 209 Q HA 0.176 4.560 4.340 0.074 0.000 0.216 209 Q C -0.406 175.770 176.000 0.292 0.000 0.916 209 Q CA 0.400 56.379 55.803 0.293 0.000 0.911 209 Q CB 0.626 29.599 28.738 0.391 0.000 1.035 209 Q HN 0.649 nan 8.270 nan 0.000 0.541 210 D N -0.976 119.574 120.400 0.251 0.000 2.498 210 D HA 0.327 5.012 4.640 0.074 0.000 0.247 210 D C 0.060 176.500 176.300 0.232 0.000 1.070 210 D CA -0.222 53.904 54.000 0.210 0.000 0.842 210 D CB 1.881 42.782 40.800 0.168 0.000 1.361 210 D HN 0.050 nan 8.370 nan 0.000 0.484 211 A N 3.397 126.325 122.820 0.180 0.000 2.024 211 A HA -0.240 4.125 4.320 0.074 0.000 0.220 211 A C 1.811 179.511 177.584 0.194 0.000 1.164 211 A CA 1.755 53.885 52.037 0.155 0.000 0.643 211 A CB -0.822 18.221 19.000 0.072 0.000 0.806 211 A HN 0.841 nan 8.150 nan 0.000 0.451 212 H N 0.097 119.245 119.070 0.130 0.000 2.357 212 H HA -0.127 4.473 4.556 0.074 0.000 0.296 212 H C 1.393 176.805 175.328 0.139 0.000 1.108 212 H CA 2.128 58.245 56.048 0.114 0.000 1.273 212 H CB 0.195 30.010 29.762 0.089 0.000 1.367 212 H HN 0.249 nan 8.280 nan 0.000 0.498 213 K N -0.145 120.425 120.400 0.284 0.000 2.487 213 K HA -0.053 4.311 4.320 0.074 0.000 0.192 213 K C 1.739 178.493 176.600 0.257 0.000 1.027 213 K CA 0.167 56.616 56.287 0.271 0.000 1.054 213 K CB -0.439 32.265 32.500 0.340 0.000 0.824 213 K HN 0.348 nan 8.250 nan 0.000 0.510 214 F N 2.824 122.834 119.950 0.101 0.000 2.065 214 F HA -0.185 4.386 4.527 0.074 0.000 0.298 214 F C -0.854 174.952 175.800 0.010 0.000 1.112 214 F CA 1.615 59.683 58.000 0.114 0.000 1.212 214 F CB -0.609 38.436 39.000 0.075 0.000 0.975 214 F HN 0.069 nan 8.300 nan 0.000 0.476 215 P HA -0.150 nan 4.420 nan 0.000 0.216 215 P C 1.007 178.001 177.300 -0.509 0.000 1.150 215 P CA 1.858 64.717 63.100 -0.401 0.000 0.837 215 P CB -0.091 31.397 31.700 -0.354 0.000 0.786 216 D N -1.295 118.950 120.400 -0.258 0.000 2.097 216 D HA -0.158 4.526 4.640 0.074 0.000 0.195 216 D C 1.796 177.822 176.300 -0.457 0.000 0.989 216 D CA 1.062 54.944 54.000 -0.197 0.000 0.827 216 D CB -0.828 40.024 40.800 0.087 0.000 0.966 216 D HN 0.175 nan 8.370 nan 0.000 0.456 217 F N 1.646 121.225 119.950 -0.619 0.000 2.146 217 F HA -0.177 4.394 4.527 0.073 0.000 0.298 217 F C 2.144 177.578 175.800 -0.610 0.000 1.096 217 F CA 0.961 58.406 58.000 -0.924 0.000 1.275 217 F CB -0.085 38.573 39.000 -0.570 0.000 1.008 217 F HN -0.250 nan 8.300 nan 0.000 0.480 218 V N 0.230 119.720 119.914 -0.706 0.000 2.453 218 V HA -0.284 3.880 4.120 0.074 0.000 0.247 218 V C 2.286 178.174 176.094 -0.344 0.000 1.048 218 V CA 2.227 64.160 62.300 -0.611 0.000 1.049 218 V CB -1.053 30.440 31.823 -0.550 0.000 0.672 218 V HN 0.456 nan 8.190 nan 0.000 0.457 219 H N 0.037 118.871 119.070 -0.393 0.000 2.352 219 H HA -0.151 4.450 4.556 0.074 0.000 0.299 219 H C 2.356 177.539 175.328 -0.242 0.000 1.097 219 H CA 1.197 57.094 56.048 -0.250 0.000 1.311 219 H CB 0.060 29.720 29.762 -0.170 0.000 1.377 219 H HN 0.483 nan 8.280 nan 0.000 0.504 220 A N 0.421 123.091 122.820 -0.250 0.000 1.930 220 A HA -0.107 4.257 4.320 0.074 0.000 0.217 220 A C 2.505 179.970 177.584 -0.198 0.000 1.175 220 A CA 1.381 53.281 52.037 -0.229 0.000 0.627 220 A CB -0.665 18.107 19.000 -0.379 0.000 0.815 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.277 119.384 119.914 -0.420 0.000 2.788 221 V HA 0.008 4.173 4.120 0.074 0.000 0.251 221 V C 0.898 176.970 176.094 -0.036 0.000 1.068 221 V CA 0.745 62.870 62.300 -0.291 0.000 1.090 221 V CB -0.463 30.989 31.823 -0.618 0.000 0.710 221 V HN 0.335 nan 8.190 nan 0.000 0.467 222 K N 1.008 121.343 120.400 -0.108 0.000 2.156 222 K HA 0.221 4.586 4.320 0.074 0.000 0.242 222 K C -2.251 174.295 176.600 -0.091 0.000 1.033 222 K CA -1.569 54.665 56.287 -0.088 0.000 0.878 222 K CB -0.476 31.955 32.500 -0.116 0.000 1.057 222 K HN 0.159 nan 8.250 nan 0.000 0.505 223 P HA -0.036 nan 4.420 nan 0.000 0.266 223 P C -0.628 176.596 177.300 -0.128 0.000 1.193 223 P CA 0.437 63.404 63.100 -0.222 0.000 0.770 223 P CB 0.327 31.912 31.700 -0.191 0.000 0.836 224 E N 4.846 125.007 120.200 -0.065 0.000 2.344 224 E HA 0.010 4.404 4.350 0.074 0.000 0.270 224 E C -1.194 175.440 176.600 0.058 0.000 1.021 224 E CA -1.368 55.089 56.400 0.095 0.000 0.887 224 E CB 0.160 30.024 29.700 0.273 0.000 0.997 224 E HN 0.420 nan 8.360 nan 0.000 0.429 225 P HA -0.253 nan 4.420 nan 0.000 0.218 225 P C 1.061 178.399 177.300 0.063 0.000 1.148 225 P CA 1.568 64.683 63.100 0.024 0.000 0.822 225 P CB -0.002 31.701 31.700 0.005 0.000 0.784 226 H N -0.933 118.159 119.070 0.037 0.000 2.333 226 H HA -0.082 4.518 4.556 0.074 0.000 0.302 226 H C 1.657 177.070 175.328 0.143 0.000 1.075 226 H CA 1.502 57.565 56.048 0.024 0.000 1.348 226 H CB -1.396 28.316 29.762 -0.082 0.000 1.393 226 H HN 0.305 nan 8.280 nan 0.000 0.509 227 W N 0.430 121.310 121.300 -0.699 0.000 3.008 227 W HA 0.685 5.389 4.660 0.073 0.000 0.355 227 W C 0.436 176.782 176.519 -0.287 0.000 1.095 227 W CA -1.117 55.987 57.345 -0.402 0.000 1.738 227 W CB -0.803 28.416 29.460 -0.402 0.000 1.091 227 W HN 0.446 nan 8.180 nan 0.000 0.574 228 A N 1.314 124.108 122.820 -0.043 0.000 2.519 228 A HA -0.115 4.250 4.320 0.074 0.000 0.297 228 A C -0.481 176.895 177.584 -0.348 0.000 1.472 228 A CA 1.400 53.341 52.037 -0.160 0.000 0.739 228 A CB -2.378 16.547 19.000 -0.125 0.000 1.096 228 A HN 0.492 nan 8.150 nan 0.000 0.414 229 I N 0.721 120.980 120.570 -0.519 0.000 2.722 229 I HA 0.548 4.763 4.170 0.074 0.000 0.295 229 I C -2.555 173.294 176.117 -0.447 0.000 1.161 229 I CA -2.366 58.529 61.300 -0.675 0.000 1.032 229 I CB 3.043 40.167 38.000 -1.460 0.000 1.244 229 I HN 0.224 nan 8.210 nan 0.000 0.421 230 P HA 0.336 nan 4.420 nan 0.000 0.289 230 P C -1.549 175.614 177.300 -0.229 0.000 1.293 230 P CA -0.865 62.045 63.100 -0.317 0.000 0.897 230 P CB 1.251 32.841 31.700 -0.184 0.000 1.166 231 Q N 0.738 120.442 119.800 -0.161 0.000 2.286 231 Q HA 0.469 4.854 4.340 0.074 0.000 0.257 231 Q C 1.059 177.034 176.000 -0.042 0.000 0.941 231 Q CA 0.938 56.682 55.803 -0.100 0.000 0.912 231 Q CB -0.414 28.271 28.738 -0.088 0.000 1.192 231 Q HN 0.803 nan 8.270 nan 0.000 0.410 232 G N 3.429 112.215 108.800 -0.023 0.000 2.341 232 G HA2 -0.305 3.700 3.960 0.074 0.000 0.292 232 G HA3 -0.305 3.700 3.960 0.074 0.000 0.292 232 G C -0.509 174.417 174.900 0.042 0.000 1.021 232 G CA 0.797 45.908 45.100 0.018 0.000 0.905 232 G HN 0.553 nan 8.290 nan 0.000 0.508 233 Q N -1.351 118.463 119.800 0.023 0.000 2.309 233 Q HA 0.529 4.913 4.340 0.074 0.000 0.273 233 Q C 0.703 176.717 176.000 0.023 0.000 1.040 233 Q CA -0.165 55.672 55.803 0.057 0.000 0.834 233 Q CB 1.739 30.556 28.738 0.132 0.000 1.345 233 Q HN 0.410 nan 8.270 nan 0.000 0.414 234 S N -0.586 115.030 115.700 -0.139 0.000 2.575 234 S HA 0.217 4.732 4.470 0.074 0.000 0.215 234 S C 0.872 175.387 174.600 -0.142 0.000 0.966 234 S CA 0.024 57.903 58.200 -0.534 0.000 0.911 234 S CB 0.375 62.783 63.200 -1.320 0.000 0.780 234 S HN 0.592 nan 8.310 nan 0.000 0.514 235 A N 2.425 125.367 122.820 0.203 0.000 3.056 235 A HA 0.560 4.924 4.320 0.074 0.000 0.274 235 A C 0.058 177.873 177.584 0.384 0.000 1.661 235 A CA -0.599 51.654 52.037 0.359 0.000 1.363 235 A CB -1.118 18.033 19.000 0.252 0.000 1.139 235 A HN 0.864 nan 8.150 nan 0.000 0.598 236 H N -3.144 116.121 119.070 0.325 0.000 3.014 236 H HA 0.522 5.122 4.556 0.074 0.000 0.337 236 H C -0.339 175.183 175.328 0.322 0.000 1.320 236 H CA -0.672 55.531 56.048 0.259 0.000 1.128 236 H CB 0.314 30.188 29.762 0.187 0.000 1.862 236 H HN 0.080 nan 8.280 nan 0.000 0.536 237 D N 0.130 120.707 120.400 0.294 0.000 2.104 237 D HA -0.182 4.503 4.640 0.074 0.000 0.194 237 D C 2.081 178.449 176.300 0.113 0.000 0.994 237 D CA 3.031 57.139 54.000 0.180 0.000 0.830 237 D CB -0.455 40.419 40.800 0.124 0.000 0.959 237 D HN 0.792 nan 8.370 nan 0.000 0.452 238 T N -1.277 113.354 114.554 0.129 0.000 2.759 238 T HA -0.236 4.158 4.350 0.074 0.000 0.269 238 T C 1.895 176.544 174.700 -0.084 0.000 1.042 238 T CA 0.825 62.960 62.100 0.059 0.000 1.140 238 T CB -0.761 68.194 68.868 0.146 0.000 0.864 238 T HN 0.156 nan 8.240 nan 0.000 0.455 239 F N 1.004 120.642 119.950 -0.519 0.000 2.051 239 F HA 0.050 4.621 4.527 0.073 0.000 0.296 239 F C 1.909 177.461 175.800 -0.414 0.000 1.122 239 F CA 0.820 58.456 58.000 -0.607 0.000 1.201 239 F CB -0.702 37.745 39.000 -0.922 0.000 0.978 239 F HN 0.150 nan 8.300 nan 0.000 0.472 240 W N 0.662 121.865 121.300 -0.162 0.000 2.465 240 W HA -0.110 4.596 4.660 0.076 0.000 0.268 240 W C 2.272 178.702 176.519 -0.148 0.000 1.242 240 W CA 1.043 58.279 57.345 -0.181 0.000 1.248 240 W CB -0.640 28.818 29.460 -0.003 0.000 1.118 240 W HN 0.112 nan 8.180 nan 0.000 0.587 241 D N -0.685 119.748 120.400 0.054 0.000 2.084 241 D HA -0.281 4.404 4.640 0.074 0.000 0.194 241 D C 1.888 178.188 176.300 -0.001 0.000 0.990 241 D CA 1.432 55.460 54.000 0.046 0.000 0.826 241 D CB -0.578 40.261 40.800 0.066 0.000 0.971 241 D HN 0.191 nan 8.370 nan 0.000 0.453 242 Y N 0.494 120.694 120.300 -0.166 0.000 2.097 242 Y HA -0.227 4.367 4.550 0.074 0.000 0.282 242 Y C 2.311 178.087 175.900 -0.207 0.000 1.152 242 Y CA 1.680 59.673 58.100 -0.179 0.000 1.136 242 Y CB -0.453 37.869 38.460 -0.230 0.000 0.975 242 Y HN -0.112 nan 8.280 nan 0.000 0.498 243 V N 0.153 119.936 119.914 -0.218 0.000 2.332 243 V HA -0.355 3.810 4.120 0.074 0.000 0.248 243 V C 2.594 178.624 176.094 -0.105 0.000 1.055 243 V CA 2.260 64.430 62.300 -0.217 0.000 1.038 243 V CB -1.218 30.369 31.823 -0.392 0.000 0.651 243 V HN 0.678 nan 8.190 nan 0.000 0.450 244 S N -0.165 115.516 115.700 -0.031 0.000 2.419 244 S HA -0.071 4.444 4.470 0.074 0.000 0.233 244 S C 1.724 176.285 174.600 -0.063 0.000 1.016 244 S CA 1.400 59.604 58.200 0.007 0.000 0.974 244 S CB -0.462 62.777 63.200 0.064 0.000 0.786 244 S HN 0.565 nan 8.310 nan 0.000 0.492 245 L N -0.059 121.080 121.223 -0.138 0.000 2.585 245 L HA 0.310 4.694 4.340 0.074 0.000 0.226 245 L C 0.550 177.248 176.870 -0.286 0.000 1.113 245 L CA 0.151 54.883 54.840 -0.179 0.000 0.876 245 L CB -0.011 41.944 42.059 -0.172 0.000 1.072 245 L HN 0.244 nan 8.230 nan 0.000 0.468 246 Q N 0.419 120.003 119.800 -0.361 0.000 3.090 246 Q HA 0.231 4.616 4.340 0.074 0.000 0.241 246 Q C -1.922 173.870 176.000 -0.346 0.000 0.958 246 Q CA -1.493 54.060 55.803 -0.417 0.000 0.715 246 Q CB 1.508 29.881 28.738 -0.608 0.000 1.298 246 Q HN -0.009 nan 8.270 nan 0.000 0.468 247 P HA -0.225 nan 4.420 nan 0.000 0.223 247 P C 0.929 177.974 177.300 -0.424 0.000 1.144 247 P CA 1.137 64.005 63.100 -0.387 0.000 0.783 247 P CB 0.284 31.705 31.700 -0.464 0.000 0.771 248 E N 0.705 120.570 120.200 -0.558 0.000 2.265 248 E HA -0.166 4.229 4.350 0.074 0.000 0.196 248 E C 1.562 178.148 176.600 -0.022 0.000 0.996 248 E CA 1.765 58.069 56.400 -0.160 0.000 0.832 248 E CB -1.237 28.429 29.700 -0.057 0.000 0.756 248 E HN 0.273 nan 8.360 nan 0.000 0.491 249 T N -0.641 113.898 114.554 -0.025 0.000 3.035 249 T HA 0.004 4.398 4.350 0.074 0.000 0.268 249 T C 1.885 176.663 174.700 0.129 0.000 1.109 249 T CA 0.483 62.626 62.100 0.072 0.000 1.119 249 T CB -0.326 68.607 68.868 0.108 0.000 0.900 249 T HN 0.157 nan 8.240 nan 0.000 0.503 250 L N 0.034 121.336 121.223 0.132 0.000 2.191 250 L HA -0.047 4.337 4.340 0.074 0.000 0.212 250 L C 2.841 179.881 176.870 0.284 0.000 1.103 250 L CA 1.597 56.581 54.840 0.240 0.000 0.769 250 L CB -0.765 41.450 42.059 0.261 0.000 0.908 250 L HN 0.480 nan 8.230 nan 0.000 0.438 251 H N -0.066 119.057 119.070 0.089 0.000 2.326 251 H HA -0.160 4.441 4.556 0.074 0.000 0.301 251 H C 2.069 177.408 175.328 0.018 0.000 1.081 251 H CA 1.593 57.693 56.048 0.086 0.000 1.334 251 H CB 0.296 30.082 29.762 0.041 0.000 1.385 251 H HN 0.384 nan 8.280 nan 0.000 0.504 252 N N -0.097 118.438 118.700 -0.276 0.000 2.331 252 N HA -0.112 4.672 4.740 0.074 0.000 0.180 252 N C 1.927 177.271 175.510 -0.276 0.000 1.019 252 N CA 0.574 53.250 53.050 -0.624 0.000 0.881 252 N CB 0.354 38.006 38.487 -1.392 0.000 0.972 252 N HN 0.107 nan 8.380 nan 0.000 0.435 253 V N 1.756 121.730 119.914 0.100 0.000 2.343 253 V HA -0.263 3.902 4.120 0.074 0.000 0.247 253 V C 2.479 178.700 176.094 0.212 0.000 1.051 253 V CA 1.284 63.769 62.300 0.309 0.000 1.036 253 V CB -0.358 31.708 31.823 0.404 0.000 0.654 253 V HN 0.396 nan 8.190 nan 0.000 0.451 254 M N -1.607 118.144 119.600 0.251 0.000 2.080 254 M HA -0.227 4.298 4.480 0.074 0.000 0.260 254 M C 2.100 178.315 176.300 -0.141 0.000 1.068 254 M CA 1.999 57.419 55.300 0.201 0.000 1.109 254 M CB -1.230 31.525 32.600 0.259 0.000 1.342 254 M HN 0.466 nan 8.290 nan 0.000 0.405 255 W N 0.531 121.502 121.300 -0.549 0.000 2.358 255 W HA -0.077 4.628 4.660 0.076 0.000 0.303 255 W C 2.847 179.254 176.519 -0.186 0.000 1.208 255 W CA 1.811 58.808 57.345 -0.580 0.000 1.274 255 W CB -1.021 28.072 29.460 -0.611 0.000 1.138 255 W HN 0.295 nan 8.180 nan 0.000 0.515 256 A N -0.528 122.350 122.820 0.097 0.000 1.933 256 A HA -0.204 4.160 4.320 0.074 0.000 0.218 256 A C 1.931 179.557 177.584 0.070 0.000 1.175 256 A CA 1.857 53.962 52.037 0.113 0.000 0.628 256 A CB -0.602 18.501 19.000 0.172 0.000 0.814 256 A HN 0.118 nan 8.150 nan 0.000 0.444 257 M N 0.536 120.137 119.600 0.002 0.000 2.506 257 M HA 0.035 4.559 4.480 0.074 0.000 0.260 257 M C 1.387 177.723 176.300 0.061 0.000 1.104 257 M CA 0.771 56.017 55.300 -0.089 0.000 1.112 257 M CB -1.306 31.010 32.600 -0.474 0.000 1.401 257 M HN 0.552 nan 8.290 nan 0.000 0.473 258 S N -0.038 115.753 115.700 0.151 0.000 2.652 258 S HA 0.156 4.671 4.470 0.074 0.000 0.267 258 S C 0.703 175.432 174.600 0.215 0.000 1.201 258 S CA -0.551 57.789 58.200 0.234 0.000 0.996 258 S CB 0.938 64.338 63.200 0.333 0.000 1.054 258 S HN 0.159 nan 8.310 nan 0.000 0.561 259 D N 0.173 120.720 120.400 0.244 0.000 2.392 259 D HA 0.024 4.708 4.640 0.074 0.000 0.228 259 D C 1.831 178.270 176.300 0.231 0.000 1.003 259 D CA 0.302 54.461 54.000 0.264 0.000 0.917 259 D CB -0.154 40.868 40.800 0.370 0.000 0.890 259 D HN 0.362 nan 8.370 nan 0.000 0.532 260 R N 0.230 120.863 120.500 0.220 0.000 2.096 260 R HA -0.054 4.331 4.340 0.074 0.000 0.235 260 R C 2.181 178.629 176.300 0.247 0.000 1.127 260 R CA 1.034 57.287 56.100 0.256 0.000 0.968 260 R CB -0.918 29.599 30.300 0.361 0.000 0.861 260 R HN 0.194 nan 8.270 nan 0.000 0.440 261 G N 1.608 110.540 108.800 0.220 0.000 2.498 261 G HA2 -0.103 3.902 3.960 0.074 0.000 0.219 261 G HA3 -0.103 3.902 3.960 0.074 0.000 0.219 261 G C 1.055 176.091 174.900 0.227 0.000 1.119 261 G CA 0.391 45.613 45.100 0.204 0.000 0.766 261 G HN 0.438 nan 8.290 nan 0.000 0.552 262 I N -1.946 118.768 120.570 0.240 0.000 2.796 262 I HA 0.368 4.582 4.170 0.074 0.000 0.279 262 I C -2.890 173.378 176.117 0.253 0.000 1.289 262 I CA -2.725 58.726 61.300 0.251 0.000 1.021 262 I CB 1.937 40.085 38.000 0.247 0.000 1.414 262 I HN -0.255 nan 8.210 nan 0.000 0.562 263 P HA 0.101 nan 4.420 nan 0.000 0.272 263 P C 0.463 177.906 177.300 0.237 0.000 1.223 263 P CA -0.205 63.004 63.100 0.181 0.000 0.784 263 P CB 1.304 33.045 31.700 0.067 0.000 0.923 264 R N 1.688 122.307 120.500 0.200 0.000 2.115 264 R HA 0.046 4.430 4.340 0.074 0.000 0.226 264 R C 0.508 176.941 176.300 0.222 0.000 1.100 264 R CA 1.381 57.646 56.100 0.275 0.000 0.980 264 R CB -0.399 30.048 30.300 0.245 0.000 0.875 264 R HN 0.535 nan 8.270 nan 0.000 0.445 265 S N -2.816 112.826 115.700 -0.096 0.000 2.588 265 S HA 0.254 4.769 4.470 0.074 0.000 0.269 265 S C -0.492 173.804 174.600 -0.507 0.000 1.157 265 S CA -0.867 57.123 58.200 -0.351 0.000 0.824 265 S CB 0.247 63.362 63.200 -0.142 0.000 1.126 265 S HN 0.105 nan 8.310 nan 0.000 0.464 266 Y N 1.836 121.775 120.300 -0.602 0.000 2.439 266 Y HA 0.171 4.766 4.550 0.076 0.000 0.292 266 Y C 2.314 177.847 175.900 -0.612 0.000 1.130 266 Y CA 0.769 58.376 58.100 -0.821 0.000 1.254 266 Y CB -0.217 37.407 38.460 -1.393 0.000 1.000 266 Y HN 0.545 nan 8.280 nan 0.000 0.554 267 R N -0.594 119.773 120.500 -0.222 0.000 2.193 267 R HA -0.017 4.367 4.340 0.074 0.000 0.213 267 R C 1.049 177.310 176.300 -0.065 0.000 1.055 267 R CA 1.454 57.484 56.100 -0.117 0.000 0.995 267 R CB -0.420 29.807 30.300 -0.122 0.000 0.893 267 R HN 0.270 nan 8.270 nan 0.000 0.459 268 T N -0.971 113.552 114.554 -0.052 0.000 3.221 268 T HA 0.392 4.787 4.350 0.074 0.000 0.246 268 T C 0.191 174.921 174.700 0.050 0.000 0.952 268 T CA -0.649 61.450 62.100 -0.002 0.000 0.994 268 T CB -0.212 68.646 68.868 -0.017 0.000 1.127 268 T HN 0.103 nan 8.240 nan 0.000 0.549 269 M N -1.371 118.300 119.600 0.118 0.000 2.575 269 M HA 0.708 5.233 4.480 0.074 0.000 0.284 269 M C -1.269 175.200 176.300 0.282 0.000 1.253 269 M CA -0.909 54.500 55.300 0.182 0.000 0.861 269 M CB 2.125 34.825 32.600 0.166 0.000 1.733 269 M HN -0.128 nan 8.290 nan 0.000 0.462 270 E N 0.353 120.715 120.200 0.270 0.000 2.342 270 E HA 0.696 5.090 4.350 0.074 0.000 0.257 270 E C -0.264 176.412 176.600 0.127 0.000 1.150 270 E CA -0.496 56.002 56.400 0.164 0.000 0.926 270 E CB 1.598 31.315 29.700 0.029 0.000 1.074 270 E HN 0.850 nan 8.360 nan 0.000 0.449 271 G N 0.497 109.175 108.800 -0.202 0.000 2.620 271 G HA2 0.625 4.630 3.960 0.074 0.000 0.301 271 G HA3 0.625 4.630 3.960 0.074 0.000 0.301 271 G C -1.598 172.919 174.900 -0.639 0.000 1.347 271 G CA -0.477 44.484 45.100 -0.232 0.000 0.971 271 G HN 0.275 nan 8.290 nan 0.000 0.488 272 F N -0.422 119.469 119.950 -0.098 0.000 2.619 272 F HA 0.516 5.087 4.527 0.074 0.000 0.308 272 F C 1.016 176.738 175.800 -0.131 0.000 1.097 272 F CA -0.438 57.433 58.000 -0.214 0.000 0.953 272 F CB 2.521 41.346 39.000 -0.291 0.000 1.287 272 F HN 0.627 nan 8.300 nan 0.000 0.446 273 G N 0.817 109.697 108.800 0.133 0.000 2.813 273 G HA2 0.163 4.168 3.960 0.074 0.000 0.209 273 G HA3 0.163 4.168 3.960 0.074 0.000 0.209 273 G C 1.229 176.205 174.900 0.127 0.000 1.150 273 G CA 0.740 45.977 45.100 0.228 0.000 0.785 273 G HN 0.791 nan 8.290 nan 0.000 0.535 274 I N -0.870 119.691 120.570 -0.014 0.000 4.497 274 I HA -0.339 3.876 4.170 0.074 0.000 0.059 274 I C 0.662 176.642 176.117 -0.228 0.000 0.607 274 I CA 1.636 62.800 61.300 -0.226 0.000 0.958 274 I CB -1.175 36.594 38.000 -0.385 0.000 0.864 274 I HN 0.282 nan 8.210 nan 0.000 0.166 275 H N 1.978 121.064 119.070 0.025 0.000 2.679 275 H HA 0.248 4.850 4.556 0.076 0.000 0.369 275 H C 0.178 175.448 175.328 -0.096 0.000 1.178 275 H CA 0.430 56.394 56.048 -0.141 0.000 1.419 275 H CB 0.319 29.802 29.762 -0.464 0.000 1.458 275 H HN 0.164 nan 8.280 nan 0.000 0.605 276 T N 3.168 117.707 114.554 -0.025 0.000 2.851 276 T HA 0.268 4.662 4.350 0.074 0.000 0.298 276 T C 0.176 174.842 174.700 -0.056 0.000 0.977 276 T CA 0.080 62.166 62.100 -0.023 0.000 1.126 276 T CB -0.030 68.791 68.868 -0.078 0.000 0.916 276 T HN 0.258 nan 8.240 nan 0.000 0.529 277 F N 0.887 120.794 119.950 -0.071 0.000 2.746 277 F HA 0.668 5.238 4.527 0.072 0.000 0.378 277 F C 0.832 176.569 175.800 -0.104 0.000 1.165 277 F CA -1.435 56.541 58.000 -0.040 0.000 1.089 277 F CB 1.501 40.466 39.000 -0.058 0.000 1.439 277 F HN 0.176 nan 8.300 nan 0.000 0.516 278 R N 0.514 121.056 120.500 0.069 0.000 2.740 278 R HA 0.670 5.055 4.340 0.074 0.000 0.282 278 R C -1.658 174.505 176.300 -0.227 0.000 0.969 278 R CA -0.784 55.223 56.100 -0.155 0.000 0.918 278 R CB 1.900 32.053 30.300 -0.244 0.000 1.175 278 R HN 0.430 nan 8.270 nan 0.000 0.464 279 L N 3.849 124.892 121.223 -0.300 0.000 2.329 279 L HA 0.556 4.941 4.340 0.074 0.000 0.279 279 L C -0.751 175.950 176.870 -0.283 0.000 1.014 279 L CA -0.908 53.765 54.840 -0.278 0.000 0.814 279 L CB 1.566 43.466 42.059 -0.265 0.000 1.257 279 L HN 0.392 nan 8.230 nan 0.000 0.424 280 I N 2.946 123.371 120.570 -0.241 0.000 2.466 280 I HA 0.286 4.501 4.170 0.074 0.000 0.289 280 I C -0.218 175.800 176.117 -0.165 0.000 1.026 280 I CA -0.730 60.431 61.300 -0.231 0.000 1.078 280 I CB 1.553 39.421 38.000 -0.220 0.000 1.249 280 I HN 0.611 nan 8.210 nan 0.000 0.429 281 N N 4.920 123.538 118.700 -0.135 0.000 2.495 281 N HA 0.380 5.165 4.740 0.074 0.000 0.294 281 N C 0.860 176.321 175.510 -0.081 0.000 1.276 281 N CA -0.271 52.720 53.050 -0.098 0.000 0.973 281 N CB 0.424 38.864 38.487 -0.079 0.000 1.143 281 N HN 0.519 nan 8.380 nan 0.000 0.589 282 A N -0.678 122.105 122.820 -0.062 0.000 1.969 282 A HA -0.093 4.272 4.320 0.074 0.000 0.218 282 A C 1.503 179.060 177.584 -0.044 0.000 1.169 282 A CA 1.296 53.302 52.037 -0.051 0.000 0.635 282 A CB -0.759 18.218 19.000 -0.038 0.000 0.810 282 A HN 0.755 nan 8.150 nan 0.000 0.445 283 E N -1.448 118.728 120.200 -0.040 0.000 2.502 283 E HA 0.300 4.694 4.350 0.074 0.000 0.194 283 E C 1.193 177.778 176.600 -0.026 0.000 1.062 283 E CA 0.735 57.116 56.400 -0.030 0.000 0.867 283 E CB -0.001 29.684 29.700 -0.025 0.000 0.888 283 E HN 0.724 nan 8.360 nan 0.000 0.510 284 G N 1.084 109.864 108.800 -0.034 0.000 2.176 284 G HA2 -0.338 3.666 3.960 0.074 0.000 0.232 284 G HA3 -0.338 3.666 3.960 0.074 0.000 0.232 284 G C 0.274 175.178 174.900 0.008 0.000 0.986 284 G CA 0.105 45.201 45.100 -0.007 0.000 0.643 284 G HN 0.244 nan 8.290 nan 0.000 0.522 285 K N 1.020 121.393 120.400 -0.045 0.000 2.368 285 K HA 0.624 4.989 4.320 0.074 0.000 0.282 285 K C 0.664 177.137 176.600 -0.212 0.000 1.035 285 K CA 0.286 56.523 56.287 -0.083 0.000 0.973 285 K CB 0.463 32.918 32.500 -0.076 0.000 0.957 285 K HN 0.553 nan 8.250 nan 0.000 0.474 286 A N 3.401 125.995 122.820 -0.375 0.000 2.306 286 A HA 0.463 4.827 4.320 0.074 0.000 0.314 286 A C -0.750 176.527 177.584 -0.512 0.000 1.164 286 A CA -0.450 51.203 52.037 -0.640 0.000 0.822 286 A CB 1.167 19.367 19.000 -1.334 0.000 1.130 286 A HN 0.716 nan 8.150 nan 0.000 0.496 287 T N 1.898 116.167 114.554 -0.475 0.000 2.881 287 T HA 0.535 4.930 4.350 0.074 0.000 0.290 287 T C -0.767 173.713 174.700 -0.367 0.000 1.000 287 T CA -0.110 61.775 62.100 -0.359 0.000 0.978 287 T CB 0.569 69.319 68.868 -0.197 0.000 0.997 287 T HN 0.347 nan 8.240 nan 0.000 0.443 288 F N 1.812 121.676 119.950 -0.142 0.000 2.399 288 F HA 0.603 5.174 4.527 0.073 0.000 0.342 288 F C 0.542 176.235 175.800 -0.178 0.000 1.106 288 F CA -0.537 57.376 58.000 -0.146 0.000 1.196 288 F CB 0.829 39.770 39.000 -0.099 0.000 1.163 288 F HN 0.214 nan 8.300 nan 0.000 0.547 289 V N 4.233 124.114 119.914 -0.056 0.000 2.888 289 V HA 0.579 4.743 4.120 0.074 0.000 0.309 289 V C -1.029 174.862 176.094 -0.338 0.000 1.114 289 V CA -0.780 61.349 62.300 -0.286 0.000 0.940 289 V CB 2.133 33.558 31.823 -0.664 0.000 1.021 289 V HN 0.768 nan 8.190 nan 0.000 0.426 290 R N 4.728 125.085 120.500 -0.238 0.000 2.494 290 R HA 0.544 4.928 4.340 0.074 0.000 0.305 290 R C -1.637 174.628 176.300 -0.060 0.000 0.959 290 R CA -0.435 55.582 56.100 -0.139 0.000 0.864 290 R CB 1.934 32.265 30.300 0.052 0.000 1.159 290 R HN 0.587 nan 8.270 nan 0.000 0.446 291 F N 2.387 122.384 119.950 0.078 0.000 2.394 291 F HA 0.361 4.932 4.527 0.073 0.000 0.340 291 F C 1.002 176.755 175.800 -0.078 0.000 1.105 291 F CA -0.144 57.873 58.000 0.028 0.000 1.124 291 F CB 0.886 39.800 39.000 -0.143 0.000 1.145 291 F HN 0.219 nan 8.300 nan 0.000 0.505 292 H N 0.981 120.061 119.070 0.016 0.000 2.747 292 H HA 0.288 4.889 4.556 0.075 0.000 0.371 292 H C -1.507 173.602 175.328 -0.364 0.000 1.161 292 H CA -1.001 54.950 56.048 -0.162 0.000 1.167 292 H CB 2.042 31.798 29.762 -0.011 0.000 1.732 292 H HN 0.656 nan 8.280 nan 0.000 0.544 293 W N 1.856 123.069 121.300 -0.145 0.000 2.656 293 W HA 0.340 5.043 4.660 0.073 0.000 0.327 293 W C -0.158 176.396 176.519 0.058 0.000 1.041 293 W CA -0.749 56.558 57.345 -0.064 0.000 1.229 293 W CB 1.844 31.104 29.460 -0.334 0.000 1.397 293 W HN 0.243 nan 8.180 nan 0.000 0.479 294 K N 5.371 126.039 120.400 0.447 0.000 2.265 294 K HA 0.380 4.745 4.320 0.074 0.000 0.267 294 K C -2.439 174.383 176.600 0.371 0.000 0.994 294 K CA -1.936 54.553 56.287 0.337 0.000 0.860 294 K CB 1.538 34.184 32.500 0.242 0.000 1.099 294 K HN 0.046 nan 8.250 nan 0.000 0.448 295 P HA 0.057 nan 4.420 nan 0.000 0.276 295 P C 0.340 177.635 177.300 -0.009 0.000 1.264 295 P CA -0.067 63.082 63.100 0.081 0.000 0.769 295 P CB 0.671 32.455 31.700 0.139 0.000 0.840 296 L N 2.659 123.826 121.223 -0.094 0.000 2.551 296 L HA -0.031 4.354 4.340 0.074 0.000 0.228 296 L C 2.079 178.927 176.870 -0.037 0.000 1.153 296 L CA 0.811 55.634 54.840 -0.028 0.000 0.851 296 L CB -0.518 41.531 42.059 -0.016 0.000 0.959 296 L HN 0.337 nan 8.230 nan 0.000 0.451 297 A N 0.010 122.784 122.820 -0.076 0.000 2.251 297 A HA 0.449 4.814 4.320 0.074 0.000 0.209 297 A C 1.262 178.842 177.584 -0.008 0.000 1.187 297 A CA 0.561 52.570 52.037 -0.047 0.000 0.823 297 A CB -0.315 18.641 19.000 -0.074 0.000 0.846 297 A HN 0.437 nan 8.150 nan 0.000 0.486 298 G N -0.464 108.344 108.800 0.013 0.000 2.796 298 G HA2 -0.155 3.850 3.960 0.074 0.000 0.571 298 G HA3 -0.155 3.850 3.960 0.074 0.000 0.571 298 G C -0.603 174.322 174.900 0.042 0.000 1.370 298 G CA -0.392 44.734 45.100 0.043 0.000 0.856 298 G HN 0.470 nan 8.290 nan 0.000 0.538 299 K N 0.231 120.661 120.400 0.050 0.000 2.211 299 K HA 0.719 5.084 4.320 0.074 0.000 0.275 299 K C 0.253 176.837 176.600 -0.027 0.000 1.024 299 K CA 0.220 56.520 56.287 0.021 0.000 0.887 299 K CB 1.725 34.232 32.500 0.012 0.000 1.084 299 K HN 1.348 nan 8.250 nan 0.000 0.463 300 A N 1.749 124.540 122.820 -0.049 0.000 2.574 300 A HA 0.712 5.077 4.320 0.074 0.000 0.297 300 A C -1.166 176.454 177.584 0.060 0.000 1.062 300 A CA -0.683 51.280 52.037 -0.124 0.000 0.686 300 A CB 1.822 20.529 19.000 -0.488 0.000 1.285 300 A HN 0.522 nan 8.150 nan 0.000 0.403 301 S N 0.040 115.924 115.700 0.306 0.000 2.618 301 S HA 0.700 5.215 4.470 0.074 0.000 0.277 301 S C -0.280 174.626 174.600 0.509 0.000 1.138 301 S CA -0.629 57.792 58.200 0.369 0.000 0.844 301 S CB 1.204 64.604 63.200 0.333 0.000 1.127 301 S HN 0.663 nan 8.310 nan 0.000 0.474 302 L N 1.304 122.723 121.223 0.326 0.000 2.505 302 L HA 0.529 4.913 4.340 0.074 0.000 0.226 302 L C 0.105 177.091 176.870 0.194 0.000 1.211 302 L CA -0.732 54.225 54.840 0.194 0.000 0.828 302 L CB 0.136 42.227 42.059 0.053 0.000 1.331 302 L HN 0.531 nan 8.230 nan 0.000 0.513 303 V N -3.052 116.882 119.914 0.032 0.000 2.769 303 V HA 0.174 4.339 4.120 0.074 0.000 0.312 303 V C 0.690 176.748 176.094 -0.059 0.000 1.058 303 V CA -0.812 61.480 62.300 -0.014 0.000 0.952 303 V CB 1.613 33.399 31.823 -0.062 0.000 1.019 303 V HN 0.933 nan 8.190 nan 0.000 0.445 304 W N 2.248 123.437 121.300 -0.184 0.000 2.318 304 W HA -0.246 4.458 4.660 0.074 0.000 0.313 304 W C 1.758 178.142 176.519 -0.225 0.000 1.221 304 W CA 2.670 59.895 57.345 -0.201 0.000 1.266 304 W CB -0.137 29.182 29.460 -0.234 0.000 1.150 304 W HN 1.019 nan 8.180 nan 0.000 0.496 305 D N 0.154 120.283 120.400 -0.450 0.000 2.149 305 D HA -0.294 4.391 4.640 0.074 0.000 0.198 305 D C 2.158 178.132 176.300 -0.543 0.000 0.990 305 D CA 2.167 55.865 54.000 -0.503 0.000 0.839 305 D CB -0.496 40.253 40.800 -0.084 0.000 0.948 305 D HN 0.380 nan 8.370 nan 0.000 0.460 306 E N -0.449 119.343 120.200 -0.679 0.000 2.051 306 E HA -0.208 4.186 4.350 0.074 0.000 0.192 306 E C 1.994 178.267 176.600 -0.544 0.000 0.991 306 E CA 1.094 57.011 56.400 -0.805 0.000 0.799 306 E CB -0.215 28.875 29.700 -1.017 0.000 0.748 306 E HN 0.333 nan 8.360 nan 0.000 0.449 307 A N 1.072 123.597 122.820 -0.492 0.000 1.898 307 A HA -0.224 4.140 4.320 0.074 0.000 0.216 307 A C 2.169 179.448 177.584 -0.508 0.000 1.181 307 A CA 1.632 53.432 52.037 -0.394 0.000 0.620 307 A CB -0.591 18.292 19.000 -0.195 0.000 0.819 307 A HN 0.421 nan 8.150 nan 0.000 0.442 308 Q N -0.400 118.875 119.800 -0.875 0.000 2.083 308 Q HA -0.166 4.219 4.340 0.074 0.000 0.198 308 Q C 2.143 177.864 176.000 -0.465 0.000 0.969 308 Q CA 1.699 57.002 55.803 -0.834 0.000 0.838 308 Q CB -0.147 27.758 28.738 -1.389 0.000 0.900 308 Q HN 0.661 nan 8.270 nan 0.000 0.436 309 K N 0.098 120.243 120.400 -0.424 0.000 2.147 309 K HA -0.154 4.210 4.320 0.074 0.000 0.205 309 K C 2.050 178.513 176.600 -0.229 0.000 1.049 309 K CA 0.754 56.887 56.287 -0.257 0.000 0.936 309 K CB -0.044 32.349 32.500 -0.179 0.000 0.722 309 K HN 0.181 nan 8.250 nan 0.000 0.446 310 L N 1.402 122.450 121.223 -0.290 0.000 2.201 310 L HA -0.118 4.267 4.340 0.074 0.000 0.212 310 L C 2.114 178.855 176.870 -0.215 0.000 1.105 310 L CA 2.110 56.775 54.840 -0.292 0.000 0.775 310 L CB -0.873 40.934 42.059 -0.419 0.000 0.913 310 L HN 0.330 nan 8.230 nan 0.000 0.440 311 T N -4.616 109.819 114.554 -0.198 0.000 2.962 311 T HA -0.012 4.382 4.350 0.074 0.000 0.270 311 T C 1.788 176.430 174.700 -0.097 0.000 1.088 311 T CA 0.827 62.849 62.100 -0.129 0.000 1.127 311 T CB -0.729 68.076 68.868 -0.104 0.000 0.883 311 T HN 0.367 nan 8.240 nan 0.000 0.493 312 G N 1.224 109.961 108.800 -0.106 0.000 2.486 312 G HA2 0.024 4.029 3.960 0.074 0.000 0.210 312 G HA3 0.024 4.029 3.960 0.074 0.000 0.210 312 G C 1.873 176.733 174.900 -0.067 0.000 1.168 312 G CA -0.320 44.734 45.100 -0.076 0.000 0.820 312 G HN 0.265 nan 8.290 nan 0.000 0.544 313 R N 0.506 120.958 120.500 -0.080 0.000 2.081 313 R HA 0.007 4.392 4.340 0.074 0.000 0.235 313 R C -0.056 176.220 176.300 -0.040 0.000 1.131 313 R CA 1.013 57.077 56.100 -0.059 0.000 0.960 313 R CB -0.440 29.814 30.300 -0.076 0.000 0.856 313 R HN 0.339 nan 8.270 nan 0.000 0.436 314 D N -0.352 120.019 120.400 -0.049 0.000 2.381 314 D HA 0.153 4.838 4.640 0.074 0.000 0.245 314 D C -2.068 174.232 176.300 -0.001 0.000 1.297 314 D CA -1.923 52.077 54.000 0.001 0.000 0.931 314 D CB 1.358 42.202 40.800 0.074 0.000 1.334 314 D HN -0.109 nan 8.370 nan 0.000 0.535 315 P HA 0.019 nan 4.420 nan 0.000 0.234 315 P C -0.073 177.233 177.300 0.010 0.000 1.167 315 P CA 0.583 63.673 63.100 -0.017 0.000 0.763 315 P CB 0.531 32.217 31.700 -0.022 0.000 0.835 316 D N -1.313 119.106 120.400 0.032 0.000 2.463 316 D HA 0.079 4.764 4.640 0.074 0.000 0.224 316 D C 1.137 177.477 176.300 0.066 0.000 1.174 316 D CA -0.492 53.532 54.000 0.040 0.000 0.829 316 D CB -0.485 40.319 40.800 0.007 0.000 0.993 316 D HN 0.109 nan 8.370 nan 0.000 0.497 317 F N 1.308 121.207 119.950 -0.085 0.000 2.126 317 F HA -0.235 4.336 4.527 0.074 0.000 0.299 317 F C 2.053 177.830 175.800 -0.038 0.000 1.096 317 F CA 1.869 59.818 58.000 -0.087 0.000 1.255 317 F CB 0.052 38.958 39.000 -0.157 0.000 0.997 317 F HN 0.108 nan 8.300 nan 0.000 0.479 318 H N -1.253 117.727 119.070 -0.150 0.000 2.428 318 H HA -0.068 4.532 4.556 0.074 0.000 0.296 318 H C 2.380 177.579 175.328 -0.215 0.000 1.062 318 H CA 0.808 56.615 56.048 -0.400 0.000 1.350 318 H CB -0.045 29.297 29.762 -0.701 0.000 1.403 318 H HN 0.187 nan 8.280 nan 0.000 0.533 319 R N 1.150 121.720 120.500 0.117 0.000 2.073 319 R HA -0.122 4.263 4.340 0.074 0.000 0.234 319 R C 2.445 178.850 176.300 0.174 0.000 1.134 319 R CA 1.295 57.530 56.100 0.224 0.000 0.952 319 R CB -0.012 30.410 30.300 0.203 0.000 0.850 319 R HN 0.178 nan 8.270 nan 0.000 0.433 320 R N 0.374 120.901 120.500 0.044 0.000 2.070 320 R HA -0.159 4.225 4.340 0.074 0.000 0.233 320 R C 2.213 178.514 176.300 0.001 0.000 1.137 320 R CA 1.785 57.893 56.100 0.014 0.000 0.945 320 R CB -0.286 29.983 30.300 -0.052 0.000 0.845 320 R HN 0.255 nan 8.270 nan 0.000 0.430 321 E N 0.691 120.776 120.200 -0.193 0.000 2.118 321 E HA -0.210 4.184 4.350 0.074 0.000 0.195 321 E C 1.984 178.548 176.600 -0.059 0.000 0.992 321 E CA 1.146 57.406 56.400 -0.234 0.000 0.804 321 E CB -0.070 29.296 29.700 -0.556 0.000 0.741 321 E HN 0.273 nan 8.360 nan 0.000 0.458 322 L N 0.596 121.830 121.223 0.018 0.000 2.005 322 L HA -0.122 4.262 4.340 0.074 0.000 0.207 322 L C 2.268 179.229 176.870 0.150 0.000 1.072 322 L CA 1.777 56.673 54.840 0.094 0.000 0.744 322 L CB -0.933 41.242 42.059 0.193 0.000 0.895 322 L HN 0.276 nan 8.230 nan 0.000 0.433 323 W N 1.082 122.414 121.300 0.055 0.000 2.333 323 W HA -0.229 4.475 4.660 0.073 0.000 0.316 323 W C 2.250 178.795 176.519 0.044 0.000 1.215 323 W CA 2.328 59.717 57.345 0.073 0.000 1.278 323 W CB -0.248 29.259 29.460 0.079 0.000 1.154 323 W HN 0.352 nan 8.180 nan 0.000 0.486 324 E N -0.075 120.309 120.200 0.305 0.000 2.150 324 E HA -0.135 4.259 4.350 0.074 0.000 0.193 324 E C 2.327 178.955 176.600 0.048 0.000 0.985 324 E CA 1.057 57.556 56.400 0.165 0.000 0.814 324 E CB -0.360 29.389 29.700 0.081 0.000 0.752 324 E HN 0.202 nan 8.360 nan 0.000 0.466 325 A N 1.290 124.130 122.820 0.034 0.000 1.902 325 A HA -0.170 4.195 4.320 0.074 0.000 0.217 325 A C 2.150 179.740 177.584 0.011 0.000 1.181 325 A CA 1.052 53.096 52.037 0.012 0.000 0.623 325 A CB -0.512 18.498 19.000 0.016 0.000 0.818 325 A HN 0.137 nan 8.150 nan 0.000 0.443 326 I N -0.542 120.056 120.570 0.047 0.000 2.315 326 I HA -0.210 4.005 4.170 0.074 0.000 0.248 326 I C 2.350 178.516 176.117 0.082 0.000 1.117 326 I CA 1.282 62.654 61.300 0.119 0.000 1.404 326 I CB -0.385 37.638 38.000 0.039 0.000 1.071 326 I HN 0.417 nan 8.210 nan 0.000 0.419 327 E N 0.893 121.107 120.200 0.023 0.000 2.208 327 E HA -0.132 4.263 4.350 0.074 0.000 0.193 327 E C 2.223 178.828 176.600 0.008 0.000 0.988 327 E CA 1.027 57.455 56.400 0.046 0.000 0.828 327 E CB -0.024 29.741 29.700 0.108 0.000 0.763 327 E HN 0.492 nan 8.360 nan 0.000 0.478 328 A N 0.204 123.000 122.820 -0.041 0.000 2.067 328 A HA 0.163 4.528 4.320 0.074 0.000 0.217 328 A C 1.862 179.372 177.584 -0.123 0.000 1.156 328 A CA 1.136 53.128 52.037 -0.075 0.000 0.683 328 A CB -0.083 18.847 19.000 -0.116 0.000 0.808 328 A HN 0.345 nan 8.150 nan 0.000 0.455 329 G N -0.749 107.879 108.800 -0.286 0.000 2.179 329 G HA2 -0.163 3.842 3.960 0.074 0.000 0.220 329 G HA3 -0.163 3.842 3.960 0.074 0.000 0.220 329 G C -0.318 174.039 174.900 -0.905 0.000 0.990 329 G CA 0.195 44.845 45.100 -0.751 0.000 0.646 329 G HN 0.398 nan 8.290 nan 0.000 0.517 330 D N 1.184 121.325 120.400 -0.431 0.000 2.845 330 D HA 0.306 4.991 4.640 0.074 0.000 0.235 330 D C 0.649 176.868 176.300 -0.135 0.000 1.158 330 D CA -0.173 53.691 54.000 -0.227 0.000 0.990 330 D CB -0.717 40.061 40.800 -0.037 0.000 1.094 330 D HN 0.417 nan 8.370 nan 0.000 0.486 331 F N 1.475 121.426 119.950 0.001 0.000 2.578 331 F HA 0.122 4.694 4.527 0.075 0.000 0.381 331 F C -1.382 174.386 175.800 -0.052 0.000 1.069 331 F CA -2.019 55.971 58.000 -0.017 0.000 1.231 331 F CB -0.016 38.981 39.000 -0.004 0.000 1.086 331 F HN -0.085 nan 8.300 nan 0.000 0.564 332 P HA 0.017 nan 4.420 nan 0.000 0.262 332 P C -1.109 176.141 177.300 -0.083 0.000 1.199 332 P CA 0.320 63.408 63.100 -0.021 0.000 0.763 332 P CB 0.382 32.146 31.700 0.107 0.000 0.790 333 E N 2.664 122.673 120.200 -0.318 0.000 2.234 333 E HA 0.452 4.847 4.350 0.074 0.000 0.266 333 E C -1.012 175.264 176.600 -0.539 0.000 0.877 333 E CA -0.583 55.671 56.400 -0.243 0.000 0.758 333 E CB 1.480 31.137 29.700 -0.071 0.000 1.170 333 E HN 0.377 nan 8.360 nan 0.000 0.415 334 Y N 0.381 120.758 120.300 0.128 0.000 2.499 334 Y HA 0.287 4.883 4.550 0.076 0.000 0.347 334 Y C -0.117 175.998 175.900 0.359 0.000 0.987 334 Y CA -1.049 57.198 58.100 0.245 0.000 1.044 334 Y CB 2.023 40.638 38.460 0.258 0.000 1.245 334 Y HN 0.480 nan 8.280 nan 0.000 0.461 335 E N 2.523 123.036 120.200 0.522 0.000 2.156 335 E HA 0.376 4.770 4.350 0.074 0.000 0.279 335 E C -1.560 175.320 176.600 0.467 0.000 0.965 335 E CA -1.003 55.666 56.400 0.448 0.000 0.789 335 E CB 1.128 31.037 29.700 0.349 0.000 1.098 335 E HN 0.596 nan 8.360 nan 0.000 0.397 336 L N 4.450 125.888 121.223 0.358 0.000 2.410 336 L HA 0.457 4.842 4.340 0.074 0.000 0.273 336 L C -0.049 176.795 176.870 -0.043 0.000 1.144 336 L CA 0.678 55.494 54.840 -0.039 0.000 0.863 336 L CB 0.870 42.847 42.059 -0.136 0.000 1.140 336 L HN 0.606 nan 8.230 nan 0.000 0.463 337 G N 4.528 113.314 108.800 -0.023 0.000 2.574 337 G HA2 0.605 4.610 3.960 0.074 0.000 0.299 337 G HA3 0.605 4.610 3.960 0.074 0.000 0.299 337 G C -1.592 173.454 174.900 0.243 0.000 1.298 337 G CA -0.522 44.596 45.100 0.031 0.000 0.952 337 G HN 0.457 nan 8.290 nan 0.000 0.477 338 F N -0.146 119.830 119.950 0.044 0.000 2.540 338 F HA 0.398 4.970 4.527 0.075 0.000 0.317 338 F C 0.162 175.966 175.800 0.005 0.000 1.104 338 F CA -0.969 57.060 58.000 0.048 0.000 0.913 338 F CB 2.776 41.790 39.000 0.024 0.000 1.170 338 F HN 0.140 nan 8.300 nan 0.000 0.450 339 Q N 4.124 124.045 119.800 0.201 0.000 2.340 339 Q HA 0.513 4.897 4.340 0.074 0.000 0.259 339 Q C -1.133 174.917 176.000 0.083 0.000 0.964 339 Q CA -0.512 55.359 55.803 0.114 0.000 0.900 339 Q CB 2.279 31.095 28.738 0.129 0.000 1.228 339 Q HN 0.527 nan 8.270 nan 0.000 0.449 340 L N 4.587 125.867 121.223 0.095 0.000 2.313 340 L HA 0.597 4.982 4.340 0.074 0.000 0.283 340 L C -0.594 176.339 176.870 0.105 0.000 1.013 340 L CA -0.597 54.288 54.840 0.074 0.000 0.816 340 L CB 1.287 43.394 42.059 0.079 0.000 1.236 340 L HN 0.511 nan 8.230 nan 0.000 0.419 341 I N 4.715 125.362 120.570 0.128 0.000 2.468 341 I HA 0.322 4.536 4.170 0.074 0.000 0.284 341 I C -2.339 173.897 176.117 0.198 0.000 1.038 341 I CA -1.908 59.507 61.300 0.191 0.000 1.083 341 I CB 2.230 40.386 38.000 0.260 0.000 1.223 341 I HN 0.288 nan 8.210 nan 0.000 0.443 342 P HA 0.033 nan 4.420 nan 0.000 0.269 342 P C 0.617 178.004 177.300 0.145 0.000 1.209 342 P CA 0.092 63.233 63.100 0.069 0.000 0.776 342 P CB 1.246 32.971 31.700 0.042 0.000 0.876 343 E N 1.366 121.576 120.200 0.017 0.000 2.187 343 E HA -0.263 4.132 4.350 0.074 0.000 0.199 343 E C 0.957 177.694 176.600 0.227 0.000 1.004 343 E CA 1.547 58.005 56.400 0.096 0.000 0.813 343 E CB 0.055 29.688 29.700 -0.112 0.000 0.736 343 E HN 0.433 nan 8.360 nan 0.000 0.468 344 E N 0.516 120.794 120.200 0.131 0.000 2.347 344 E HA -0.114 4.280 4.350 0.074 0.000 0.196 344 E C 0.689 177.355 176.600 0.110 0.000 1.008 344 E CA 0.910 57.380 56.400 0.118 0.000 0.852 344 E CB 0.043 29.782 29.700 0.065 0.000 0.783 344 E HN 0.267 nan 8.360 nan 0.000 0.505 345 D N 0.265 120.726 120.400 0.100 0.000 2.342 345 D HA -0.016 4.669 4.640 0.074 0.000 0.221 345 D C 1.260 177.550 176.300 -0.016 0.000 1.101 345 D CA 0.054 54.059 54.000 0.009 0.000 0.837 345 D CB 0.033 40.810 40.800 -0.038 0.000 0.938 345 D HN 0.318 nan 8.370 nan 0.000 0.508 346 E N 0.082 120.302 120.200 0.033 0.000 2.108 346 E HA -0.231 4.164 4.350 0.074 0.000 0.203 346 E C 0.481 176.809 176.600 -0.452 0.000 1.022 346 E CA 1.285 57.514 56.400 -0.284 0.000 0.823 346 E CB -0.042 29.444 29.700 -0.357 0.000 0.744 346 E HN 0.242 nan 8.360 nan 0.000 0.456 347 F N -0.160 119.743 119.950 -0.078 0.000 2.645 347 F HA 0.254 4.825 4.527 0.074 0.000 0.300 347 F C 1.379 177.072 175.800 -0.177 0.000 1.115 347 F CA -0.072 57.868 58.000 -0.099 0.000 1.355 347 F CB 0.482 39.447 39.000 -0.059 0.000 1.026 347 F HN -0.141 nan 8.300 nan 0.000 0.536 348 K N -0.140 120.135 120.400 -0.207 0.000 2.487 348 K HA 0.078 4.443 4.320 0.074 0.000 0.192 348 K C 0.001 176.231 176.600 -0.616 0.000 1.027 348 K CA 0.357 56.401 56.287 -0.404 0.000 1.054 348 K CB 0.116 32.328 32.500 -0.480 0.000 0.824 348 K HN 0.157 nan 8.250 nan 0.000 0.510 349 F N 0.772 120.558 119.950 -0.274 0.000 2.410 349 F HA 0.059 4.631 4.527 0.074 0.000 0.324 349 F C 1.324 176.944 175.800 -0.301 0.000 1.093 349 F CA -1.006 56.747 58.000 -0.412 0.000 1.028 349 F CB 0.595 38.931 39.000 -1.107 0.000 1.309 349 F HN -0.001 nan 8.300 nan 0.000 0.499 350 D N -0.651 119.790 120.400 0.068 0.000 2.328 350 D HA 0.045 4.730 4.640 0.074 0.000 0.221 350 D C -0.384 176.022 176.300 0.177 0.000 1.072 350 D CA 0.121 54.194 54.000 0.122 0.000 0.850 350 D CB -0.817 40.075 40.800 0.153 0.000 0.922 350 D HN 0.241 nan 8.370 nan 0.000 0.516 351 F N -1.377 118.656 119.950 0.138 0.000 2.598 351 F HA 0.514 5.085 4.527 0.074 0.000 0.327 351 F C -0.052 175.744 175.800 -0.006 0.000 1.057 351 F CA -1.740 56.274 58.000 0.022 0.000 0.957 351 F CB 0.909 39.894 39.000 -0.027 0.000 1.278 351 F HN -0.339 nan 8.300 nan 0.000 0.484 352 D N 2.063 122.481 120.400 0.029 0.000 2.348 352 D HA 0.078 4.762 4.640 0.074 0.000 0.253 352 D C 0.959 177.188 176.300 -0.118 0.000 1.161 352 D CA 0.027 53.976 54.000 -0.086 0.000 0.876 352 D CB 1.507 42.284 40.800 -0.037 0.000 1.160 352 D HN 0.778 nan 8.370 nan 0.000 0.459 353 L N 3.887 124.973 121.223 -0.229 0.000 2.191 353 L HA -0.140 4.244 4.340 0.074 0.000 0.212 353 L C 1.737 178.482 176.870 -0.209 0.000 1.103 353 L CA 0.919 55.618 54.840 -0.234 0.000 0.769 353 L CB 0.092 41.907 42.059 -0.406 0.000 0.908 353 L HN 0.533 nan 8.230 nan 0.000 0.438 354 L N -0.964 120.144 121.223 -0.192 0.000 2.611 354 L HA 0.070 4.454 4.340 0.074 0.000 0.229 354 L C 0.204 176.977 176.870 -0.161 0.000 1.137 354 L CA -0.232 54.553 54.840 -0.092 0.000 0.901 354 L CB -0.281 41.811 42.059 0.055 0.000 1.098 354 L HN 0.104 nan 8.230 nan 0.000 0.456 355 D N 1.705 121.791 120.400 -0.524 0.000 2.280 355 D HA 0.150 4.835 4.640 0.074 0.000 0.243 355 D C -1.779 174.303 176.300 -0.362 0.000 1.129 355 D CA -2.297 51.187 54.000 -0.860 0.000 0.848 355 D CB 1.732 41.698 40.800 -1.389 0.000 1.107 355 D HN -0.118 nan 8.370 nan 0.000 0.471 356 P HA 0.044 nan 4.420 nan 0.000 0.249 356 P C 0.735 177.944 177.300 -0.151 0.000 1.229 356 P CA 0.377 63.400 63.100 -0.128 0.000 0.788 356 P CB -0.022 31.676 31.700 -0.004 0.000 1.072 357 T N -4.513 109.940 114.554 -0.169 0.000 3.107 357 T HA 0.170 4.565 4.350 0.074 0.000 0.249 357 T C 0.723 175.323 174.700 -0.167 0.000 1.096 357 T CA -0.013 61.998 62.100 -0.147 0.000 1.012 357 T CB -0.180 68.645 68.868 -0.070 0.000 0.977 357 T HN -0.164 nan 8.240 nan 0.000 0.527 358 K N 2.115 122.336 120.400 -0.298 0.000 2.221 358 K HA 0.614 4.979 4.320 0.074 0.000 0.258 358 K C -0.356 176.078 176.600 -0.276 0.000 0.944 358 K CA -0.979 55.022 56.287 -0.478 0.000 0.823 358 K CB 2.064 34.165 32.500 -0.665 0.000 1.113 358 K HN 0.295 nan 8.250 nan 0.000 0.431 359 L N -0.460 120.715 121.223 -0.081 0.000 2.358 359 L HA 0.677 5.062 4.340 0.074 0.000 0.268 359 L C -0.092 176.631 176.870 -0.246 0.000 1.032 359 L CA -0.550 54.215 54.840 -0.125 0.000 0.805 359 L CB 0.472 42.519 42.059 -0.019 0.000 1.253 359 L HN 0.444 nan 8.230 nan 0.000 0.452 360 I N 1.345 121.854 120.570 -0.102 0.000 2.328 360 I HA 0.385 4.600 4.170 0.074 0.000 0.287 360 I C -2.173 173.955 176.117 0.018 0.000 1.012 360 I CA -1.752 59.516 61.300 -0.053 0.000 1.195 360 I CB 1.334 39.299 38.000 -0.058 0.000 1.350 360 I HN 0.441 nan 8.210 nan 0.000 0.464 361 P HA 0.047 nan 4.420 nan 0.000 0.264 361 P C 0.409 177.766 177.300 0.096 0.000 1.193 361 P CA 0.045 63.180 63.100 0.058 0.000 0.763 361 P CB 0.618 32.340 31.700 0.036 0.000 0.810 362 E N 2.054 122.320 120.200 0.110 0.000 2.160 362 E HA -0.219 4.175 4.350 0.074 0.000 0.195 362 E C 1.309 177.960 176.600 0.085 0.000 0.991 362 E CA 0.988 57.445 56.400 0.094 0.000 0.810 362 E CB -0.024 29.734 29.700 0.097 0.000 0.742 362 E HN 0.554 nan 8.360 nan 0.000 0.466 363 E N 0.272 120.521 120.200 0.082 0.000 2.265 363 E HA -0.140 4.255 4.350 0.074 0.000 0.196 363 E C 2.055 178.716 176.600 0.102 0.000 0.996 363 E CA 0.697 57.144 56.400 0.078 0.000 0.832 363 E CB 0.095 29.833 29.700 0.063 0.000 0.756 363 E HN 0.387 nan 8.360 nan 0.000 0.491 364 L N -0.316 120.991 121.223 0.140 0.000 2.200 364 L HA 0.074 4.459 4.340 0.074 0.000 0.200 364 L C 0.708 177.700 176.870 0.204 0.000 1.072 364 L CA 0.423 55.386 54.840 0.205 0.000 0.787 364 L CB 0.437 42.702 42.059 0.345 0.000 0.957 364 L HN -0.194 nan 8.230 nan 0.000 0.459 365 V N 1.387 121.404 119.914 0.173 0.000 2.419 365 V HA 0.328 4.492 4.120 0.074 0.000 0.287 365 V C -2.404 173.744 176.094 0.090 0.000 1.017 365 V CA -1.537 60.852 62.300 0.148 0.000 0.844 365 V CB 1.375 33.297 31.823 0.166 0.000 1.011 365 V HN -0.027 nan 8.190 nan 0.000 0.429 366 P HA 0.183 nan 4.420 nan 0.000 0.272 366 P C -0.312 176.992 177.300 0.007 0.000 1.223 366 P CA -0.101 63.023 63.100 0.039 0.000 0.784 366 P CB 0.897 32.623 31.700 0.043 0.000 0.923 367 V N 3.129 123.015 119.914 -0.047 0.000 2.427 367 V HA 0.096 4.260 4.120 0.074 0.000 0.268 367 V C 0.789 176.878 176.094 -0.009 0.000 1.046 367 V CA 0.061 62.300 62.300 -0.102 0.000 0.970 367 V CB 0.030 31.712 31.823 -0.235 0.000 1.001 367 V HN 0.543 nan 8.190 nan 0.000 0.476 368 Q N 6.006 125.825 119.800 0.032 0.000 2.256 368 Q HA 0.379 4.764 4.340 0.074 0.000 0.254 368 Q C -0.088 175.926 176.000 0.023 0.000 0.916 368 Q CA -0.784 55.042 55.803 0.039 0.000 0.932 368 Q CB 0.934 29.707 28.738 0.057 0.000 1.207 368 Q HN 0.659 nan 8.270 nan 0.000 0.426 369 R N 2.157 122.691 120.500 0.057 0.000 2.570 369 R HA 0.057 4.442 4.340 0.074 0.000 0.277 369 R C 0.318 176.685 176.300 0.112 0.000 1.039 369 R CA -0.060 56.126 56.100 0.142 0.000 1.065 369 R CB 0.736 31.145 30.300 0.182 0.000 0.964 369 R HN 0.556 nan 8.270 nan 0.000 0.428 370 V N 0.804 120.720 119.914 0.004 0.000 3.251 370 V HA 0.338 4.502 4.120 0.074 0.000 0.239 370 V C 0.634 176.495 176.094 -0.390 0.000 1.332 370 V CA 0.823 62.973 62.300 -0.249 0.000 1.224 370 V CB 1.125 32.535 31.823 -0.690 0.000 1.004 370 V HN 1.004 nan 8.190 nan 0.000 0.464 371 G N -0.137 108.284 108.800 -0.631 0.000 2.441 371 G HA2 0.476 4.481 3.960 0.074 0.000 0.294 371 G HA3 0.476 4.481 3.960 0.074 0.000 0.294 371 G C -1.918 172.625 174.900 -0.596 0.000 1.393 371 G CA -0.554 43.894 45.100 -1.087 0.000 0.796 371 G HN 0.067 nan 8.290 nan 0.000 0.494 372 K N -0.524 119.544 120.400 -0.553 0.000 2.259 372 K HA 0.767 5.132 4.320 0.074 0.000 0.252 372 K C -0.759 175.890 176.600 0.082 0.000 0.936 372 K CA -0.840 55.424 56.287 -0.038 0.000 0.810 372 K CB 1.947 34.477 32.500 0.049 0.000 1.143 372 K HN 0.589 nan 8.250 nan 0.000 0.427 373 M N 4.470 124.232 119.600 0.270 0.000 2.253 373 M HA 0.399 4.923 4.480 0.074 0.000 0.314 373 M C -1.863 174.418 176.300 -0.033 0.000 1.019 373 M CA -0.659 54.758 55.300 0.195 0.000 0.932 373 M CB 1.697 34.452 32.600 0.259 0.000 1.606 373 M HN 0.338 nan 8.290 nan 0.000 0.430 374 V N 5.561 125.279 119.914 -0.327 0.000 2.656 374 V HA 0.531 4.696 4.120 0.074 0.000 0.307 374 V C -1.122 174.811 176.094 -0.269 0.000 1.051 374 V CA -0.803 61.307 62.300 -0.316 0.000 0.893 374 V CB 1.944 33.456 31.823 -0.518 0.000 0.999 374 V HN 0.677 nan 8.190 nan 0.000 0.426 375 L N 5.386 126.540 121.223 -0.114 0.000 2.277 375 L HA 0.509 4.894 4.340 0.074 0.000 0.284 375 L C 0.512 177.291 176.870 -0.151 0.000 1.028 375 L CA -0.011 54.776 54.840 -0.088 0.000 0.835 375 L CB 1.082 43.142 42.059 0.001 0.000 1.215 375 L HN 0.865 nan 8.230 nan 0.000 0.425 376 N N 1.987 120.493 118.700 -0.324 0.000 2.197 376 N HA 0.178 4.962 4.740 0.074 0.000 0.228 376 N C 0.035 175.389 175.510 -0.261 0.000 1.212 376 N CA -0.277 52.350 53.050 -0.705 0.000 0.883 376 N CB 0.705 38.477 38.487 -1.191 0.000 1.107 376 N HN 0.387 nan 8.380 nan 0.000 0.519 377 R N 0.285 120.725 120.500 -0.100 0.000 2.522 377 R HA 0.279 4.664 4.340 0.074 0.000 0.273 377 R C -1.298 174.963 176.300 -0.065 0.000 1.133 377 R CA -0.544 55.517 56.100 -0.066 0.000 0.969 377 R CB 1.128 31.390 30.300 -0.063 0.000 1.235 377 R HN 0.070 nan 8.270 nan 0.000 0.433 378 N N 3.224 121.768 118.700 -0.260 0.000 2.467 378 N HA 0.270 5.055 4.740 0.074 0.000 0.262 378 N C -2.333 173.120 175.510 -0.094 0.000 1.234 378 N CA -1.231 51.524 53.050 -0.491 0.000 0.952 378 N CB 0.545 38.097 38.487 -1.559 0.000 1.158 378 N HN 0.290 nan 8.380 nan 0.000 0.463 379 P HA 0.137 nan 4.420 nan 0.000 0.274 379 P C 0.240 177.722 177.300 0.303 0.000 1.260 379 P CA -0.151 63.140 63.100 0.318 0.000 0.793 379 P CB 0.846 32.764 31.700 0.363 0.000 1.048 380 D N -1.195 119.361 120.400 0.261 0.000 2.201 380 D HA -0.015 4.670 4.640 0.074 0.000 0.209 380 D C 0.317 176.791 176.300 0.291 0.000 0.961 380 D CA 1.403 55.551 54.000 0.246 0.000 0.861 380 D CB 0.164 41.052 40.800 0.147 0.000 0.997 380 D HN 0.347 nan 8.370 nan 0.000 0.486 381 N N -0.210 118.659 118.700 0.280 0.000 2.480 381 N HA 0.001 4.785 4.740 0.074 0.000 0.289 381 N C 0.010 175.728 175.510 0.346 0.000 1.073 381 N CA -0.356 52.871 53.050 0.294 0.000 0.885 381 N CB 1.481 40.107 38.487 0.232 0.000 1.421 381 N HN -0.160 nan 8.380 nan 0.000 0.503 382 F N 4.317 124.420 119.950 0.254 0.000 2.095 382 F HA -0.190 4.381 4.527 0.075 0.000 0.298 382 F C 1.667 177.593 175.800 0.211 0.000 1.104 382 F CA 1.576 59.723 58.000 0.245 0.000 1.232 382 F CB -0.104 39.017 39.000 0.202 0.000 0.987 382 F HN 0.598 nan 8.300 nan 0.000 0.475 383 F N 0.925 121.123 119.950 0.412 0.000 2.046 383 F HA -0.190 4.382 4.527 0.074 0.000 0.297 383 F C 2.391 178.258 175.800 0.112 0.000 1.123 383 F CA 1.985 60.141 58.000 0.261 0.000 1.199 383 F CB -1.043 38.080 39.000 0.205 0.000 0.972 383 F HN 0.002 nan 8.300 nan 0.000 0.474 384 A N -0.443 122.559 122.820 0.303 0.000 1.940 384 A HA -0.204 4.161 4.320 0.074 0.000 0.219 384 A C 1.998 179.543 177.584 -0.065 0.000 1.176 384 A CA 2.223 54.338 52.037 0.131 0.000 0.631 384 A CB -0.679 18.432 19.000 0.185 0.000 0.814 384 A HN 0.649 nan 8.150 nan 0.000 0.446 385 E N -1.751 118.410 120.200 -0.064 0.000 2.256 385 E HA -0.032 4.362 4.350 0.074 0.000 0.198 385 E C 1.955 178.478 176.600 -0.128 0.000 0.908 385 E CA 0.264 56.566 56.400 -0.163 0.000 0.915 385 E CB -0.162 29.464 29.700 -0.123 0.000 0.890 385 E HN 0.520 nan 8.360 nan 0.000 0.484 386 N N 1.644 120.248 118.700 -0.160 0.000 2.083 386 N HA -0.186 4.598 4.740 0.074 0.000 0.190 386 N C 1.833 177.159 175.510 -0.307 0.000 1.047 386 N CA 1.519 54.388 53.050 -0.301 0.000 0.845 386 N CB 0.022 37.901 38.487 -1.013 0.000 1.025 386 N HN -0.044 nan 8.380 nan 0.000 0.428 387 E N 0.596 120.566 120.200 -0.384 0.000 2.160 387 E HA -0.102 4.293 4.350 0.074 0.000 0.195 387 E C 1.594 177.982 176.600 -0.354 0.000 0.991 387 E CA 1.342 57.566 56.400 -0.294 0.000 0.810 387 E CB -0.076 29.460 29.700 -0.273 0.000 0.742 387 E HN 0.516 nan 8.360 nan 0.000 0.466 388 Q N -0.386 119.165 119.800 -0.415 0.000 2.360 388 Q HA 0.265 4.649 4.340 0.074 0.000 0.202 388 Q C 0.080 175.964 176.000 -0.193 0.000 0.915 388 Q CA 0.159 55.777 55.803 -0.308 0.000 0.943 388 Q CB 0.605 29.159 28.738 -0.307 0.000 1.064 388 Q HN 0.204 nan 8.270 nan 0.000 0.511 389 A N 1.234 123.956 122.820 -0.164 0.000 2.483 389 A HA 0.460 4.825 4.320 0.074 0.000 0.238 389 A C -0.112 177.355 177.584 -0.195 0.000 1.070 389 A CA 0.280 52.206 52.037 -0.184 0.000 0.770 389 A CB 0.250 19.214 19.000 -0.060 0.000 1.008 389 A HN 0.275 nan 8.150 nan 0.000 0.497 390 A N 1.857 124.500 122.820 -0.294 0.000 2.357 390 A HA 0.692 5.057 4.320 0.074 0.000 0.295 390 A C -0.860 176.587 177.584 -0.229 0.000 1.121 390 A CA -0.422 51.517 52.037 -0.164 0.000 0.742 390 A CB 0.462 19.423 19.000 -0.064 0.000 1.181 390 A HN 0.639 nan 8.150 nan 0.000 0.454 391 F N 1.488 121.479 119.950 0.068 0.000 2.458 391 F HA 0.658 5.230 4.527 0.074 0.000 0.330 391 F C 0.376 176.184 175.800 0.013 0.000 1.082 391 F CA -0.210 57.818 58.000 0.047 0.000 0.995 391 F CB 1.888 40.876 39.000 -0.020 0.000 1.170 391 F HN 0.674 nan 8.300 nan 0.000 0.478 392 H N 3.706 122.710 119.070 -0.110 0.000 3.017 392 H HA 0.297 4.896 4.556 0.071 0.000 0.340 392 H C -2.379 172.676 175.328 -0.456 0.000 1.014 392 H CA -2.777 52.937 56.048 -0.557 0.000 1.341 392 H CB 2.614 31.784 29.762 -0.986 0.000 1.739 392 H HN 0.190 nan 8.280 nan 0.000 0.506 393 P HA -0.028 nan 4.420 nan 0.000 0.223 393 P C 1.200 178.439 177.300 -0.102 0.000 1.151 393 P CA 1.231 64.243 63.100 -0.147 0.000 0.787 393 P CB 0.115 31.750 31.700 -0.109 0.000 0.788 394 G N -1.081 107.288 108.800 -0.718 0.000 2.625 394 G HA2 -0.160 3.844 3.960 0.074 0.000 0.214 394 G HA3 -0.160 3.844 3.960 0.074 0.000 0.214 394 G C 0.422 175.185 174.900 -0.229 0.000 1.132 394 G CA 0.065 44.803 45.100 -0.603 0.000 0.782 394 G HN 0.446 nan 8.290 nan 0.000 0.538 395 H N 0.561 119.487 119.070 -0.241 0.000 2.882 395 H HA 0.378 4.976 4.556 0.070 0.000 0.258 395 H C 0.425 175.784 175.328 0.052 0.000 1.579 395 H CA -0.812 55.187 56.048 -0.081 0.000 1.340 395 H CB 0.117 29.861 29.762 -0.030 0.000 1.645 395 H HN 0.337 nan 8.280 nan 0.000 0.541 396 I N -0.352 120.263 120.570 0.075 0.000 3.100 396 I HA 0.685 4.900 4.170 0.074 0.000 0.312 396 I C -0.128 175.940 176.117 -0.081 0.000 1.063 396 I CA -1.399 59.879 61.300 -0.037 0.000 1.031 396 I CB 1.901 39.761 38.000 -0.233 0.000 1.243 396 I HN 0.098 nan 8.210 nan 0.000 0.483 397 V N -1.694 118.169 119.914 -0.085 0.000 3.126 397 V HA 0.672 4.837 4.120 0.074 0.000 0.314 397 V C -2.793 173.386 176.094 0.140 0.000 1.138 397 V CA -2.640 59.681 62.300 0.035 0.000 1.034 397 V CB 0.930 32.768 31.823 0.026 0.000 1.075 397 V HN 0.637 nan 8.190 nan 0.000 0.442 398 P HA 0.335 nan 4.420 nan 0.000 0.261 398 P C 0.889 178.165 177.300 -0.040 0.000 1.183 398 P CA 1.945 65.087 63.100 0.070 0.000 0.761 398 P CB 0.509 32.236 31.700 0.044 0.000 0.785 399 G N 1.813 110.542 108.800 -0.120 0.000 2.231 399 G HA2 -0.150 3.855 3.960 0.074 0.000 0.206 399 G HA3 -0.150 3.855 3.960 0.074 0.000 0.206 399 G C -0.263 174.530 174.900 -0.178 0.000 0.996 399 G CA -0.442 44.571 45.100 -0.145 0.000 0.645 399 G HN 0.451 nan 8.290 nan 0.000 0.498 400 L N 0.113 121.240 121.223 -0.161 0.000 2.323 400 L HA 0.927 5.312 4.340 0.074 0.000 0.265 400 L C -0.480 176.311 176.870 -0.131 0.000 1.012 400 L CA -1.031 53.694 54.840 -0.192 0.000 0.820 400 L CB 2.100 43.974 42.059 -0.308 0.000 1.334 400 L HN 0.130 nan 8.230 nan 0.000 0.427 401 D N -0.710 119.593 120.400 -0.161 0.000 2.692 401 D HA 0.437 5.122 4.640 0.074 0.000 0.290 401 D C -1.214 174.989 176.300 -0.162 0.000 1.281 401 D CA -0.378 53.502 54.000 -0.200 0.000 0.804 401 D CB 1.634 42.398 40.800 -0.060 0.000 1.331 401 D HN 0.131 nan 8.370 nan 0.000 0.432 402 F N -0.194 119.869 119.950 0.188 0.000 2.294 402 F HA 0.585 5.157 4.527 0.075 0.000 0.319 402 F C 1.465 177.290 175.800 0.041 0.000 1.107 402 F CA -0.171 57.888 58.000 0.097 0.000 1.094 402 F CB 0.942 39.952 39.000 0.015 0.000 1.508 402 F HN 0.272 nan 8.300 nan 0.000 0.506 403 T N -3.354 111.313 114.554 0.188 0.000 2.804 403 T HA 0.308 4.702 4.350 0.074 0.000 0.290 403 T C -0.172 174.562 174.700 0.056 0.000 1.099 403 T CA -0.977 61.203 62.100 0.133 0.000 1.011 403 T CB 1.248 70.178 68.868 0.103 0.000 1.291 403 T HN 0.343 nan 8.240 nan 0.000 0.523 404 N N 0.940 119.676 118.700 0.060 0.000 2.449 404 N HA 0.055 4.840 4.740 0.074 0.000 0.191 404 N C 0.065 175.581 175.510 0.010 0.000 1.161 404 N CA 0.092 53.157 53.050 0.025 0.000 0.863 404 N CB -0.431 38.085 38.487 0.047 0.000 0.980 404 N HN 0.694 nan 8.380 nan 0.000 0.458 405 D N 2.428 122.825 120.400 -0.005 0.000 2.982 405 D HA -0.104 4.580 4.640 0.074 0.000 0.222 405 D C -1.266 175.031 176.300 -0.006 0.000 1.124 405 D CA -0.792 53.225 54.000 0.028 0.000 0.810 405 D CB 1.141 41.906 40.800 -0.058 0.000 1.152 405 D HN 0.150 nan 8.370 nan 0.000 0.538 406 P HA -0.147 nan 4.420 nan 0.000 0.222 406 P C 1.607 178.933 177.300 0.044 0.000 1.147 406 P CA 0.334 63.463 63.100 0.049 0.000 0.790 406 P CB 0.337 32.076 31.700 0.066 0.000 0.780 407 L N -0.555 120.715 121.223 0.079 0.000 2.068 407 L HA -0.016 4.369 4.340 0.074 0.000 0.204 407 L C 2.384 179.194 176.870 -0.101 0.000 1.076 407 L CA 1.305 56.188 54.840 0.071 0.000 0.753 407 L CB -1.564 40.614 42.059 0.199 0.000 0.910 407 L HN -0.168 nan 8.230 nan 0.000 0.439 408 L N -0.646 120.345 121.223 -0.386 0.000 2.017 408 L HA -0.212 4.173 4.340 0.074 0.000 0.208 408 L C 2.450 179.063 176.870 -0.428 0.000 1.073 408 L CA 1.790 56.164 54.840 -0.777 0.000 0.745 408 L CB -0.925 40.426 42.059 -1.181 0.000 0.894 408 L HN 0.350 nan 8.230 nan 0.000 0.432 409 Q N -0.038 119.575 119.800 -0.313 0.000 2.077 409 Q HA -0.166 4.219 4.340 0.074 0.000 0.206 409 Q C 2.081 177.976 176.000 -0.175 0.000 0.989 409 Q CA 1.858 57.506 55.803 -0.258 0.000 0.853 409 Q CB -0.873 27.771 28.738 -0.156 0.000 0.907 409 Q HN 0.711 nan 8.270 nan 0.000 0.418 410 G N 0.286 109.041 108.800 -0.076 0.000 2.534 410 G HA2 -0.190 3.815 3.960 0.074 0.000 0.217 410 G HA3 -0.190 3.815 3.960 0.074 0.000 0.217 410 G C 1.440 176.357 174.900 0.029 0.000 1.128 410 G CA 0.007 45.125 45.100 0.029 0.000 0.784 410 G HN 0.246 nan 8.290 nan 0.000 0.542 411 R N -0.294 120.181 120.500 -0.041 0.000 2.189 411 R HA 0.133 4.517 4.340 0.074 0.000 0.223 411 R C 1.926 178.321 176.300 0.159 0.000 1.092 411 R CA 0.377 56.517 56.100 0.068 0.000 0.989 411 R CB -0.234 30.108 30.300 0.069 0.000 0.876 411 R HN 0.351 nan 8.270 nan 0.000 0.457 412 L N -0.439 120.781 121.223 -0.006 0.000 2.610 412 L HA -0.013 4.372 4.340 0.074 0.000 0.232 412 L C 1.149 178.066 176.870 0.077 0.000 1.149 412 L CA 0.187 55.028 54.840 0.003 0.000 0.872 412 L CB -0.102 41.779 42.059 -0.296 0.000 0.992 412 L HN 0.075 nan 8.230 nan 0.000 0.447 413 F N -0.819 119.141 119.950 0.017 0.000 2.765 413 F HA 0.164 4.718 4.527 0.045 0.000 0.302 413 F C 1.534 177.339 175.800 0.009 0.000 1.111 413 F CA -0.402 57.604 58.000 0.011 0.000 1.359 413 F CB 0.232 39.228 39.000 -0.008 0.000 1.097 413 F HN -0.027 nan 8.300 nan 0.000 0.577 414 S N -2.472 113.361 115.700 0.223 0.000 2.993 414 S HA 0.393 4.907 4.470 0.074 0.000 0.281 414 S C 0.417 175.017 174.600 0.000 0.000 1.033 414 S CA 0.222 58.454 58.200 0.053 0.000 0.950 414 S CB -0.043 63.120 63.200 -0.063 0.000 1.349 414 S HN 0.217 nan 8.310 nan 0.000 0.652 415 Y N -0.256 119.903 120.300 -0.236 0.000 2.703 415 Y HA -0.367 4.224 4.550 0.068 0.000 0.485 415 Y C 2.353 178.020 175.900 -0.388 0.000 1.040 415 Y CA 2.170 60.042 58.100 -0.380 0.000 3.075 415 Y CB -2.287 35.770 38.460 -0.672 0.000 0.957 415 Y HN 0.612 nan 8.280 nan 0.000 0.576 416 T N 0.048 114.456 114.554 -0.244 0.000 2.635 416 T HA -0.273 4.121 4.350 0.074 0.000 0.267 416 T C 1.267 175.947 174.700 -0.034 0.000 1.040 416 T CA 1.787 63.866 62.100 -0.034 0.000 1.156 416 T CB -0.634 68.312 68.868 0.131 0.000 0.863 416 T HN 0.492 nan 8.240 nan 0.000 0.430 417 D N 0.216 120.605 120.400 -0.019 0.000 2.205 417 D HA -0.148 4.536 4.640 0.074 0.000 0.190 417 D C 2.333 178.592 176.300 -0.069 0.000 1.002 417 D CA 1.909 55.899 54.000 -0.017 0.000 0.848 417 D CB -0.647 40.138 40.800 -0.025 0.000 0.975 417 D HN 0.272 nan 8.370 nan 0.000 0.449 418 T N -0.939 113.545 114.554 -0.117 0.000 2.759 418 T HA -0.173 4.221 4.350 0.074 0.000 0.269 418 T C 1.883 176.474 174.700 -0.181 0.000 1.042 418 T CA 1.679 63.698 62.100 -0.135 0.000 1.140 418 T CB -0.162 68.611 68.868 -0.159 0.000 0.864 418 T HN 0.222 nan 8.240 nan 0.000 0.455 419 Q N -0.123 119.502 119.800 -0.293 0.000 2.119 419 Q HA 0.059 4.443 4.340 0.074 0.000 0.201 419 Q C 2.302 178.021 176.000 -0.468 0.000 0.972 419 Q CA 1.273 56.771 55.803 -0.508 0.000 0.847 419 Q CB -0.173 28.011 28.738 -0.924 0.000 0.903 419 Q HN 0.536 nan 8.270 nan 0.000 0.433 420 I N 0.631 121.043 120.570 -0.263 0.000 2.226 420 I HA -0.295 3.920 4.170 0.074 0.000 0.245 420 I C 2.501 178.607 176.117 -0.018 0.000 1.100 420 I CA 1.435 62.731 61.300 -0.007 0.000 1.374 420 I CB -0.292 37.782 38.000 0.123 0.000 1.057 420 I HN 0.252 nan 8.210 nan 0.000 0.413 421 S N 0.676 116.350 115.700 -0.043 0.000 2.371 421 S HA -0.201 4.314 4.470 0.074 0.000 0.224 421 S C 2.091 176.672 174.600 -0.032 0.000 1.029 421 S CA 0.805 58.991 58.200 -0.023 0.000 0.978 421 S CB -0.457 62.730 63.200 -0.022 0.000 0.833 421 S HN 0.373 nan 8.310 nan 0.000 0.466 422 R N 1.184 121.642 120.500 -0.070 0.000 2.070 422 R HA 0.106 4.491 4.340 0.074 0.000 0.233 422 R C 2.083 178.356 176.300 -0.046 0.000 1.137 422 R CA 1.632 57.694 56.100 -0.063 0.000 0.945 422 R CB -0.453 29.786 30.300 -0.102 0.000 0.845 422 R HN 0.477 nan 8.270 nan 0.000 0.430 423 L N -0.932 120.242 121.223 -0.082 0.000 2.509 423 L HA 0.273 4.657 4.340 0.074 0.000 0.222 423 L C 1.206 178.090 176.870 0.022 0.000 1.123 423 L CA 0.537 55.353 54.840 -0.040 0.000 0.856 423 L CB 0.529 42.543 42.059 -0.075 0.000 0.985 423 L HN 0.714 nan 8.230 nan 0.000 0.456 424 G N -0.628 108.192 108.800 0.033 0.000 2.184 424 G HA2 -0.007 3.998 3.960 0.074 0.000 0.206 424 G HA3 -0.007 3.998 3.960 0.074 0.000 0.206 424 G C 0.346 175.302 174.900 0.093 0.000 0.995 424 G CA -0.366 44.771 45.100 0.062 0.000 0.651 424 G HN 0.737 nan 8.290 nan 0.000 0.511 425 G N -1.296 107.586 108.800 0.136 0.000 2.320 425 G HA2 0.635 4.640 3.960 0.074 0.000 0.297 425 G HA3 0.635 4.640 3.960 0.074 0.000 0.297 425 G C -2.239 172.815 174.900 0.257 0.000 1.344 425 G CA 0.388 45.582 45.100 0.157 0.000 0.851 425 G HN 0.379 nan 8.290 nan 0.000 0.567 426 P HA 0.082 nan 4.420 nan 0.000 0.245 426 P C 0.237 177.544 177.300 0.012 0.000 1.212 426 P CA 0.398 63.602 63.100 0.173 0.000 0.774 426 P CB 0.224 32.002 31.700 0.130 0.000 0.999 427 N N 0.466 119.134 118.700 -0.053 0.000 2.451 427 N HA 0.076 4.861 4.740 0.074 0.000 0.264 427 N C 0.832 176.065 175.510 -0.462 0.000 1.167 427 N CA -0.218 52.605 53.050 -0.378 0.000 0.898 427 N CB -0.547 37.828 38.487 -0.187 0.000 1.176 427 N HN 0.275 nan 8.380 nan 0.000 0.507 428 F N 0.283 120.132 119.950 -0.168 0.000 2.661 428 F HA 0.057 4.620 4.527 0.060 0.000 0.298 428 F C 2.120 177.847 175.800 -0.123 0.000 1.137 428 F CA 0.417 58.344 58.000 -0.121 0.000 1.454 428 F CB -0.605 38.369 39.000 -0.043 0.000 1.103 428 F HN 0.162 nan 8.300 nan 0.000 0.577 429 H N 0.205 118.953 119.070 -0.537 0.000 2.524 429 H HA 0.074 4.672 4.556 0.070 0.000 0.282 429 H C 0.744 175.975 175.328 -0.161 0.000 1.016 429 H CA 1.330 57.164 56.048 -0.357 0.000 1.270 429 H CB -0.622 28.824 29.762 -0.528 0.000 1.394 429 H HN 0.504 nan 8.280 nan 0.000 0.568 430 E N 0.959 120.902 120.200 -0.428 0.000 2.474 430 E HA 0.188 4.583 4.350 0.074 0.000 0.194 430 E C 0.257 176.796 176.600 -0.101 0.000 1.041 430 E CA -0.312 55.969 56.400 -0.197 0.000 0.874 430 E CB 0.492 30.070 29.700 -0.205 0.000 0.914 430 E HN 0.413 nan 8.360 nan 0.000 0.498 431 I N 2.284 122.800 120.570 -0.092 0.000 2.618 431 I HA -0.042 4.172 4.170 0.074 0.000 0.284 431 I C -1.548 174.538 176.117 -0.052 0.000 1.146 431 I CA -1.522 59.740 61.300 -0.062 0.000 1.425 431 I CB 0.610 38.584 38.000 -0.043 0.000 1.383 431 I HN -0.190 nan 8.210 nan 0.000 0.562 432 P HA -0.275 nan 4.420 nan 0.000 0.218 432 P C 1.755 179.005 177.300 -0.084 0.000 1.165 432 P CA 1.416 64.481 63.100 -0.058 0.000 0.922 432 P CB 0.132 31.800 31.700 -0.054 0.000 0.794 433 I N -0.957 119.535 120.570 -0.130 0.000 2.423 433 I HA -0.215 4.000 4.170 0.074 0.000 0.254 433 I C 1.329 177.380 176.117 -0.110 0.000 1.151 433 I CA 1.763 62.934 61.300 -0.215 0.000 1.421 433 I CB -0.614 37.153 38.000 -0.389 0.000 1.079 433 I HN -0.066 nan 8.210 nan 0.000 0.431 434 N N 0.467 119.134 118.700 -0.054 0.000 2.373 434 N HA 0.061 4.846 4.740 0.074 0.000 0.181 434 N C 0.214 175.763 175.510 0.065 0.000 1.082 434 N CA 0.145 53.194 53.050 -0.002 0.000 0.885 434 N CB 0.016 38.519 38.487 0.027 0.000 0.977 434 N HN 0.389 nan 8.380 nan 0.000 0.462 435 R N 2.014 122.555 120.500 0.068 0.000 2.537 435 R HA 0.170 4.555 4.340 0.074 0.000 0.280 435 R C -2.084 174.308 176.300 0.154 0.000 1.058 435 R CA -1.114 55.036 56.100 0.085 0.000 1.057 435 R CB -0.074 30.261 30.300 0.057 0.000 0.973 435 R HN 0.101 nan 8.270 nan 0.000 0.438 436 P HA -0.033 nan 4.420 nan 0.000 0.272 436 P C 0.321 177.700 177.300 0.131 0.000 1.240 436 P CA -0.135 63.066 63.100 0.168 0.000 0.791 436 P CB 0.682 32.438 31.700 0.093 0.000 0.978 437 T N -1.463 113.170 114.554 0.132 0.000 2.777 437 T HA -0.038 4.356 4.350 0.074 0.000 0.266 437 T C 1.059 175.786 174.700 0.046 0.000 1.040 437 T CA 0.712 62.844 62.100 0.053 0.000 1.141 437 T CB -0.769 68.136 68.868 0.062 0.000 0.868 437 T HN 0.374 nan 8.240 nan 0.000 0.444 438 C N 3.220 122.559 119.300 0.066 0.000 2.401 438 C HA 0.543 5.048 4.460 0.074 0.000 0.365 438 C C -2.059 172.962 174.990 0.051 0.000 1.250 438 C CA -1.809 57.242 59.018 0.055 0.000 2.131 438 C CB 0.611 28.390 27.740 0.066 0.000 2.445 438 C HN 0.394 nan 8.230 nan 0.000 0.550 439 P HA 0.107 nan 4.420 nan 0.000 0.267 439 P C -1.098 176.113 177.300 -0.148 0.000 1.200 439 P CA 0.182 63.213 63.100 -0.115 0.000 0.772 439 P CB 0.118 31.707 31.700 -0.185 0.000 0.855 440 Y N -0.004 120.143 120.300 -0.256 0.000 2.376 440 Y HA 0.664 5.261 4.550 0.078 0.000 0.325 440 Y C -0.365 175.221 175.900 -0.524 0.000 1.199 440 Y CA -0.937 57.025 58.100 -0.229 0.000 1.206 440 Y CB 0.979 39.337 38.460 -0.171 0.000 1.229 440 Y HN 0.384 nan 8.280 nan 0.000 0.480 441 H N 2.321 121.356 119.070 -0.059 0.000 2.840 441 H HA 0.456 5.057 4.556 0.075 0.000 0.340 441 H C -1.069 174.212 175.328 -0.079 0.000 1.004 441 H CA -0.744 55.205 56.048 -0.165 0.000 1.288 441 H CB 1.262 30.927 29.762 -0.162 0.000 1.607 441 H HN 0.873 nan 8.280 nan 0.000 0.522 442 N N 0.636 119.305 118.700 -0.052 0.000 3.449 442 N HA 0.188 4.973 4.740 0.074 0.000 0.312 442 N C -1.071 174.270 175.510 -0.283 0.000 1.582 442 N CA -0.902 52.079 53.050 -0.116 0.000 0.850 442 N CB 0.666 39.202 38.487 0.083 0.000 1.822 442 N HN 0.278 nan 8.380 nan 0.000 0.577 443 F N -0.389 119.618 119.950 0.095 0.000 2.695 443 F HA 0.343 4.911 4.527 0.068 0.000 0.303 443 F C 0.365 176.218 175.800 0.090 0.000 1.091 443 F CA -0.363 57.685 58.000 0.079 0.000 1.300 443 F CB 0.259 39.295 39.000 0.061 0.000 1.071 443 F HN 0.149 nan 8.300 nan 0.000 0.578 444 Q N 1.936 121.863 119.800 0.212 0.000 2.311 444 Q HA 0.277 4.661 4.340 0.074 0.000 0.272 444 Q C 0.053 176.145 176.000 0.155 0.000 1.012 444 Q CA 0.230 56.130 55.803 0.161 0.000 0.891 444 Q CB 0.844 29.646 28.738 0.107 0.000 1.201 444 Q HN 0.106 nan 8.270 nan 0.000 0.391 445 R N 1.828 122.410 120.500 0.137 0.000 2.888 445 R HA 0.370 4.755 4.340 0.074 0.000 0.264 445 R C -0.525 175.836 176.300 0.101 0.000 1.045 445 R CA -0.690 55.482 56.100 0.120 0.000 0.962 445 R CB 1.170 31.541 30.300 0.119 0.000 1.210 445 R HN 0.702 nan 8.270 nan 0.000 0.479 446 D N -0.320 120.131 120.400 0.086 0.000 3.605 446 D HA -0.169 4.515 4.640 0.074 0.000 0.258 446 D C 0.378 176.721 176.300 0.072 0.000 1.916 446 D CA 2.001 56.043 54.000 0.069 0.000 1.155 446 D CB -0.984 39.853 40.800 0.062 0.000 0.854 446 D HN 0.896 nan 8.370 nan 0.000 1.047 447 G N -1.490 107.349 108.800 0.065 0.000 2.663 447 G HA2 0.112 4.117 3.960 0.074 0.000 0.686 447 G HA3 0.112 4.117 3.960 0.074 0.000 0.686 447 G C -0.256 174.685 174.900 0.067 0.000 1.246 447 G CA -0.075 45.067 45.100 0.070 0.000 0.795 447 G HN 0.740 nan 8.290 nan 0.000 0.627 448 M N 0.896 120.543 119.600 0.078 0.000 2.250 448 M HA 0.398 4.923 4.480 0.074 0.000 0.337 448 M C 1.172 177.554 176.300 0.137 0.000 1.161 448 M CA 1.039 56.393 55.300 0.090 0.000 1.088 448 M CB -0.045 32.612 32.600 0.095 0.000 1.639 448 M HN 1.310 nan 8.290 nan 0.000 0.447 449 H N 0.956 120.036 119.070 0.018 0.000 2.592 449 H HA -0.178 4.421 4.556 0.072 0.000 0.323 449 H C -0.793 174.531 175.328 -0.006 0.000 1.117 449 H CA 0.294 56.347 56.048 0.009 0.000 1.120 449 H CB -0.606 29.164 29.762 0.013 0.000 1.561 449 H HN 0.514 nan 8.280 nan 0.000 0.409 450 R N 1.903 122.429 120.500 0.043 0.000 2.296 450 R HA 0.085 4.469 4.340 0.074 0.000 0.323 450 R C 0.938 177.259 176.300 0.034 0.000 1.067 450 R CA -0.108 56.019 56.100 0.045 0.000 0.946 450 R CB 0.287 30.607 30.300 0.034 0.000 0.991 450 R HN 0.427 nan 8.270 nan 0.000 0.448 451 M N 2.247 121.887 119.600 0.067 0.000 2.412 451 M HA 0.208 4.733 4.480 0.074 0.000 0.263 451 M C 1.009 177.323 176.300 0.024 0.000 1.122 451 M CA 0.891 56.224 55.300 0.056 0.000 1.179 451 M CB -0.771 31.879 32.600 0.083 0.000 1.335 451 M HN 0.679 nan 8.290 nan 0.000 0.465 452 G N 1.754 110.571 108.800 0.029 0.000 2.432 452 G HA2 0.372 4.377 3.960 0.074 0.000 0.239 452 G HA3 0.372 4.377 3.960 0.074 0.000 0.239 452 G C -0.406 174.494 174.900 -0.000 0.000 1.291 452 G CA -0.371 44.731 45.100 0.003 0.000 0.863 452 G HN 0.327 nan 8.290 nan 0.000 0.560 453 I N 2.380 122.940 120.570 -0.016 0.000 2.359 453 I HA 0.137 4.352 4.170 0.074 0.000 0.284 453 I C -0.433 175.675 176.117 -0.015 0.000 1.018 453 I CA -0.633 60.661 61.300 -0.009 0.000 1.173 453 I CB 1.258 39.252 38.000 -0.010 0.000 1.326 453 I HN 0.352 nan 8.210 nan 0.000 0.462 454 D N 4.516 124.914 120.400 -0.004 0.000 2.350 454 D HA 0.125 4.810 4.640 0.074 0.000 0.249 454 D C 1.034 177.339 176.300 0.008 0.000 1.119 454 D CA 0.247 54.245 54.000 -0.004 0.000 0.886 454 D CB 1.946 42.754 40.800 0.014 0.000 1.195 454 D HN 0.583 nan 8.370 nan 0.000 0.437 455 T N -1.423 113.133 114.554 0.004 0.000 3.040 455 T HA -0.021 4.374 4.350 0.074 0.000 0.266 455 T C 0.721 175.434 174.700 0.022 0.000 1.005 455 T CA -0.573 61.533 62.100 0.011 0.000 0.906 455 T CB 0.162 69.030 68.868 -0.000 0.000 1.082 455 T HN 0.108 nan 8.240 nan 0.000 0.531 456 N N 3.540 122.255 118.700 0.025 0.000 2.411 456 N HA 0.100 4.885 4.740 0.074 0.000 0.265 456 N C -1.637 173.915 175.510 0.070 0.000 1.266 456 N CA -1.419 51.658 53.050 0.045 0.000 0.889 456 N CB 1.429 39.939 38.487 0.039 0.000 1.069 456 N HN 0.074 nan 8.380 nan 0.000 0.476 457 P HA -0.057 nan 4.420 nan 0.000 0.218 457 P C -0.589 176.769 177.300 0.097 0.000 1.146 457 P CA 1.050 64.196 63.100 0.077 0.000 0.813 457 P CB 0.227 31.968 31.700 0.069 0.000 0.778 458 A N 0.525 123.393 122.820 0.080 0.000 2.317 458 A HA 0.387 4.752 4.320 0.074 0.000 0.327 458 A C 0.414 178.079 177.584 0.136 0.000 1.178 458 A CA -0.686 51.341 52.037 -0.016 0.000 0.817 458 A CB 0.005 18.834 19.000 -0.285 0.000 1.189 458 A HN 0.264 nan 8.150 nan 0.000 0.489 459 N N 0.756 119.563 118.700 0.179 0.000 2.389 459 N HA 0.384 5.169 4.740 0.074 0.000 0.260 459 N C -0.787 174.863 175.510 0.234 0.000 1.191 459 N CA -0.363 52.892 53.050 0.341 0.000 0.885 459 N CB 0.198 38.851 38.487 0.277 0.000 1.162 459 N HN 0.691 nan 8.380 nan 0.000 0.512 460 Y N -1.345 118.797 120.300 -0.263 0.000 2.670 460 Y HA 0.661 5.253 4.550 0.070 0.000 0.334 460 Y C -1.540 173.706 175.900 -1.090 0.000 1.185 460 Y CA -1.418 56.338 58.100 -0.573 0.000 1.053 460 Y CB 0.927 39.242 38.460 -0.241 0.000 1.298 460 Y HN 0.091 nan 8.280 nan 0.000 0.459 461 E N 0.286 120.051 120.200 -0.724 0.000 2.366 461 E HA 0.629 5.023 4.350 0.074 0.000 0.278 461 E C -3.247 173.267 176.600 -0.143 0.000 0.923 461 E CA -1.977 54.092 56.400 -0.551 0.000 0.761 461 E CB 1.705 31.032 29.700 -0.621 0.000 1.231 461 E HN 0.552 nan 8.360 nan 0.000 0.443 462 P HA 0.287 nan 4.420 nan 0.000 0.275 462 P C -1.246 176.053 177.300 -0.003 0.000 1.228 462 P CA -0.399 62.657 63.100 -0.074 0.000 0.786 462 P CB 0.482 32.162 31.700 -0.034 0.000 0.927 463 N N -1.305 117.316 118.700 -0.130 0.000 2.262 463 N HA 0.406 5.191 4.740 0.074 0.000 0.295 463 N C 0.194 175.682 175.510 -0.036 0.000 1.161 463 N CA -0.773 52.221 53.050 -0.092 0.000 0.767 463 N CB 1.461 39.619 38.487 -0.549 0.000 1.499 463 N HN 0.201 nan 8.380 nan 0.000 0.476 464 S N 0.064 115.783 115.700 0.032 0.000 2.526 464 S HA 0.045 4.559 4.470 0.074 0.000 0.220 464 S C 1.386 176.007 174.600 0.035 0.000 1.017 464 S CA -0.229 57.983 58.200 0.021 0.000 0.930 464 S CB -0.727 62.493 63.200 0.032 0.000 0.856 464 S HN 0.700 nan 8.310 nan 0.000 0.497 465 I N -1.081 119.520 120.570 0.051 0.000 3.111 465 I HA 0.327 4.542 4.170 0.074 0.000 0.272 465 I C 1.149 177.303 176.117 0.061 0.000 1.268 465 I CA 0.884 62.221 61.300 0.062 0.000 1.467 465 I CB -0.347 37.706 38.000 0.088 0.000 1.087 465 I HN 0.185 nan 8.210 nan 0.000 0.467 466 N N 1.239 119.975 118.700 0.060 0.000 2.305 466 N HA 0.039 4.824 4.740 0.074 0.000 0.248 466 N C -0.152 175.457 175.510 0.166 0.000 1.290 466 N CA -0.078 53.044 53.050 0.121 0.000 0.873 466 N CB 0.118 38.690 38.487 0.141 0.000 1.261 466 N HN 0.208 nan 8.380 nan 0.000 0.504 467 D N 0.865 121.309 120.400 0.073 0.000 2.701 467 D HA -0.256 4.428 4.640 0.074 0.000 0.235 467 D C -0.157 176.026 176.300 -0.196 0.000 1.155 467 D CA 1.113 55.110 54.000 -0.004 0.000 0.649 467 D CB -1.426 39.426 40.800 0.086 0.000 1.050 467 D HN 0.471 nan 8.370 nan 0.000 0.425 468 N N -1.521 117.100 118.700 -0.131 0.000 2.741 468 N HA -0.244 4.540 4.740 0.074 0.000 0.251 468 N C -0.883 174.543 175.510 -0.140 0.000 1.112 468 N CA 1.414 54.366 53.050 -0.163 0.000 0.750 468 N CB -1.218 37.128 38.487 -0.236 0.000 1.119 468 N HN 0.559 nan 8.380 nan 0.000 0.561 469 W N 0.669 122.019 121.300 0.082 0.000 2.381 469 W HA 0.463 5.166 4.660 0.072 0.000 0.329 469 W C -1.678 174.853 176.519 0.021 0.000 1.157 469 W CA -1.711 55.657 57.345 0.038 0.000 1.240 469 W CB 0.648 30.086 29.460 -0.038 0.000 1.199 469 W HN -0.046 nan 8.180 nan 0.000 0.579 470 P HA 0.218 nan 4.420 nan 0.000 0.274 470 P C -0.696 176.750 177.300 0.243 0.000 1.231 470 P CA -0.184 63.060 63.100 0.241 0.000 0.790 470 P CB 0.967 32.667 31.700 0.000 0.000 0.951 471 R N 0.663 121.320 120.500 0.260 0.000 2.732 471 R HA 0.339 4.723 4.340 0.074 0.000 0.278 471 R C 0.183 176.535 176.300 0.086 0.000 0.976 471 R CA -0.860 55.264 56.100 0.041 0.000 0.963 471 R CB 1.170 31.302 30.300 -0.279 0.000 1.150 471 R HN 0.477 nan 8.270 nan 0.000 0.478 472 E N 0.770 121.000 120.200 0.050 0.000 2.415 472 E HA 0.044 4.438 4.350 0.074 0.000 0.262 472 E C -0.582 176.045 176.600 0.044 0.000 1.038 472 E CA 0.554 56.988 56.400 0.057 0.000 0.921 472 E CB 0.678 30.401 29.700 0.039 0.000 0.950 472 E HN 0.345 nan 8.360 nan 0.000 0.438 473 T N 3.950 118.539 114.554 0.058 0.000 2.812 473 T HA 0.334 4.728 4.350 0.074 0.000 0.282 473 T C -2.377 172.346 174.700 0.038 0.000 0.990 473 T CA -1.655 60.476 62.100 0.052 0.000 0.960 473 T CB 1.366 70.274 68.868 0.068 0.000 0.948 473 T HN 0.249 nan 8.240 nan 0.000 0.438 474 P HA 0.219 nan 4.420 nan 0.000 0.269 474 P C -2.466 174.839 177.300 0.007 0.000 1.217 474 P CA -1.172 61.935 63.100 0.011 0.000 0.783 474 P CB -0.383 31.319 31.700 0.003 0.000 0.898 475 P HA 0.323 nan 4.420 nan 0.000 0.272 475 P C -0.022 177.263 177.300 -0.025 0.000 1.230 475 P CA 0.277 63.360 63.100 -0.029 0.000 0.788 475 P CB 0.686 32.348 31.700 -0.063 0.000 0.949 476 G N 0.084 108.866 108.800 -0.030 0.000 2.489 476 G HA2 0.395 4.400 3.960 0.074 0.000 0.305 476 G HA3 0.395 4.400 3.960 0.074 0.000 0.305 476 G C -2.574 172.308 174.900 -0.030 0.000 1.311 476 G CA -0.702 44.383 45.100 -0.024 0.000 0.813 476 G HN 0.105 nan 8.290 nan 0.000 0.480 477 P HA 0.108 nan 4.420 nan 0.000 0.216 477 P C 0.240 177.528 177.300 -0.019 0.000 1.153 477 P CA 1.159 64.243 63.100 -0.025 0.000 0.848 477 P CB 0.185 31.873 31.700 -0.019 0.000 0.787 478 K N -1.198 119.198 120.400 -0.006 0.000 2.464 478 K HA 0.391 4.756 4.320 0.074 0.000 0.253 478 K C -0.196 176.413 176.600 0.015 0.000 0.933 478 K CA -0.839 55.450 56.287 0.004 0.000 0.801 478 K CB 1.828 34.333 32.500 0.008 0.000 1.271 478 K HN -0.289 nan 8.250 nan 0.000 0.430 479 R N -0.181 120.335 120.500 0.026 0.000 3.641 479 R HA -0.151 4.233 4.340 0.074 0.000 0.286 479 R C -0.017 176.304 176.300 0.036 0.000 1.153 479 R CA 0.947 57.069 56.100 0.037 0.000 0.775 479 R CB -2.079 28.242 30.300 0.036 0.000 1.215 479 R HN 0.958 nan 8.270 nan 0.000 0.474 480 G N -0.893 107.922 108.800 0.026 0.000 2.521 480 G HA2 0.632 4.636 3.960 0.074 0.000 0.323 480 G HA3 0.632 4.636 3.960 0.074 0.000 0.323 480 G C 0.329 175.253 174.900 0.039 0.000 1.211 480 G CA 0.061 45.175 45.100 0.023 0.000 0.979 480 G HN 0.239 nan 8.290 nan 0.000 0.490 481 G N -1.339 107.486 108.800 0.042 0.000 2.569 481 G HA2 0.400 4.405 3.960 0.074 0.000 0.249 481 G HA3 0.400 4.405 3.960 0.074 0.000 0.249 481 G C -0.605 174.348 174.900 0.089 0.000 1.216 481 G CA -0.529 44.617 45.100 0.077 0.000 0.845 481 G HN 0.454 nan 8.290 nan 0.000 0.568 482 F N 0.296 120.251 119.950 0.009 0.000 2.495 482 F HA 0.353 4.927 4.527 0.080 0.000 0.365 482 F C 0.578 176.379 175.800 0.003 0.000 1.090 482 F CA -0.112 57.886 58.000 -0.002 0.000 1.235 482 F CB 0.851 39.849 39.000 -0.003 0.000 1.119 482 F HN 0.446 nan 8.300 nan 0.000 0.562 483 E N 4.217 124.019 120.200 -0.663 0.000 2.246 483 E HA 0.307 4.701 4.350 0.074 0.000 0.266 483 E C -1.131 175.115 176.600 -0.591 0.000 0.880 483 E CA -0.747 55.427 56.400 -0.377 0.000 0.762 483 E CB 1.447 31.023 29.700 -0.208 0.000 1.180 483 E HN 0.623 nan 8.360 nan 0.000 0.416 484 S N 2.670 118.270 115.700 -0.166 0.000 2.576 484 S HA 0.022 4.537 4.470 0.074 0.000 0.276 484 S C -0.581 174.004 174.600 -0.024 0.000 1.339 484 S CA -0.379 57.809 58.200 -0.020 0.000 1.039 484 S CB 0.158 63.478 63.200 0.201 0.000 0.902 484 S HN 0.481 nan 8.310 nan 0.000 0.516 485 Y N 2.477 122.708 120.300 -0.116 0.000 2.712 485 Y HA -0.029 4.565 4.550 0.073 0.000 0.333 485 Y C 0.921 176.795 175.900 -0.043 0.000 1.225 485 Y CA 0.189 58.232 58.100 -0.096 0.000 1.499 485 Y CB 0.230 38.633 38.460 -0.095 0.000 1.288 485 Y HN 0.579 nan 8.280 nan 0.000 0.575 486 Q N 5.194 124.628 119.800 -0.611 0.000 3.254 486 Q HA 0.013 4.397 4.340 0.074 0.000 0.315 486 Q C -0.260 175.419 176.000 -0.535 0.000 1.405 486 Q CA -0.023 55.507 55.803 -0.456 0.000 0.966 486 Q CB -0.196 28.348 28.738 -0.323 0.000 1.706 486 Q HN 0.648 nan 8.270 nan 0.000 0.525 487 E N 1.365 121.343 120.200 -0.370 0.000 2.414 487 E HA 0.001 4.396 4.350 0.074 0.000 0.263 487 E C -0.169 176.387 176.600 -0.074 0.000 1.000 487 E CA -0.374 55.938 56.400 -0.147 0.000 0.914 487 E CB 0.640 30.398 29.700 0.096 0.000 0.948 487 E HN 0.140 nan 8.360 nan 0.000 0.444 488 R N 2.852 123.331 120.500 -0.035 0.000 2.442 488 R HA 0.180 4.565 4.340 0.074 0.000 0.291 488 R C -1.437 174.876 176.300 0.022 0.000 1.069 488 R CA -0.143 55.950 56.100 -0.012 0.000 1.022 488 R CB 0.761 31.065 30.300 0.006 0.000 0.976 488 R HN 0.254 nan 8.270 nan 0.000 0.443 489 V N 4.824 124.746 119.914 0.013 0.000 2.448 489 V HA 0.448 4.613 4.120 0.074 0.000 0.295 489 V C -0.449 175.655 176.094 0.016 0.000 1.025 489 V CA -0.550 61.763 62.300 0.021 0.000 0.859 489 V CB 1.605 33.436 31.823 0.014 0.000 0.988 489 V HN 0.829 nan 8.190 nan 0.000 0.431 490 E N 2.511 122.724 120.200 0.021 0.000 2.307 490 E HA 0.665 5.060 4.350 0.074 0.000 0.280 490 E C -0.204 176.403 176.600 0.012 0.000 0.900 490 E CA -0.347 56.061 56.400 0.013 0.000 0.790 490 E CB 2.323 32.031 29.700 0.014 0.000 1.261 490 E HN 1.023 nan 8.360 nan 0.000 0.405 491 G N 2.394 111.197 108.800 0.005 0.000 2.337 491 G HA2 0.073 4.078 3.960 0.074 0.000 0.298 491 G HA3 0.073 4.078 3.960 0.074 0.000 0.298 491 G C -1.534 173.364 174.900 -0.003 0.000 1.335 491 G CA -1.055 44.046 45.100 0.001 0.000 0.875 491 G HN 0.372 nan 8.290 nan 0.000 0.579 492 N N -0.108 118.588 118.700 -0.006 0.000 2.482 492 N HA 0.483 5.268 4.740 0.074 0.000 0.279 492 N C -0.260 175.245 175.510 -0.007 0.000 1.182 492 N CA -0.628 52.419 53.050 -0.006 0.000 0.969 492 N CB 1.014 39.497 38.487 -0.007 0.000 1.201 492 N HN 0.472 nan 8.380 nan 0.000 0.523 493 K N 1.003 121.400 120.400 -0.005 0.000 2.351 493 K HA 0.182 4.547 4.320 0.074 0.000 0.287 493 K C -0.663 175.931 176.600 -0.010 0.000 1.068 493 K CA -0.180 56.104 56.287 -0.005 0.000 0.998 493 K CB -0.285 32.215 32.500 -0.000 0.000 0.968 493 K HN 0.349 nan 8.250 nan 0.000 0.464 494 V N 0.145 120.049 119.914 -0.016 0.000 2.962 494 V HA 0.481 4.645 4.120 0.074 0.000 0.313 494 V C -0.408 175.666 176.094 -0.033 0.000 1.099 494 V CA -1.315 60.971 62.300 -0.024 0.000 0.971 494 V CB 2.070 33.876 31.823 -0.028 0.000 1.028 494 V HN 0.616 nan 8.190 nan 0.000 0.430 495 R N 2.136 122.611 120.500 -0.041 0.000 2.755 495 R HA 0.541 4.926 4.340 0.074 0.000 0.268 495 R C -0.518 175.742 176.300 -0.067 0.000 1.295 495 R CA -0.084 55.978 56.100 -0.062 0.000 1.379 495 R CB 0.599 30.854 30.300 -0.075 0.000 1.170 495 R HN 0.909 nan 8.270 nan 0.000 0.584 496 E N 1.544 121.702 120.200 -0.071 0.000 2.308 496 E HA 0.225 4.620 4.350 0.074 0.000 0.275 496 E C -1.214 175.322 176.600 -0.107 0.000 0.890 496 E CA -1.050 55.306 56.400 -0.073 0.000 0.754 496 E CB 1.773 31.437 29.700 -0.060 0.000 1.207 496 E HN 0.072 nan 8.360 nan 0.000 0.426 497 R N 1.736 122.175 120.500 -0.101 0.000 2.347 497 R HA 0.164 4.549 4.340 0.074 0.000 0.304 497 R C -0.513 175.673 176.300 -0.192 0.000 1.072 497 R CA 0.123 56.129 56.100 -0.156 0.000 0.980 497 R CB 0.968 31.235 30.300 -0.055 0.000 0.986 497 R HN 0.355 nan 8.270 nan 0.000 0.448 498 S N 5.452 120.923 115.700 -0.381 0.000 2.546 498 S HA 0.093 4.608 4.470 0.074 0.000 0.290 498 S C -1.513 173.049 174.600 -0.064 0.000 1.290 498 S CA -1.148 56.904 58.200 -0.246 0.000 1.069 498 S CB 0.632 63.618 63.200 -0.356 0.000 0.846 498 S HN 0.551 nan 8.310 nan 0.000 0.495 499 P HA -0.114 nan 4.420 nan 0.000 0.218 499 P C 1.598 178.950 177.300 0.086 0.000 1.148 499 P CA 1.312 64.436 63.100 0.041 0.000 0.822 499 P CB -0.121 31.595 31.700 0.026 0.000 0.784 500 S N -1.824 113.958 115.700 0.138 0.000 2.442 500 S HA -0.145 4.369 4.470 0.074 0.000 0.236 500 S C 1.559 176.312 174.600 0.255 0.000 1.007 500 S CA 0.937 59.248 58.200 0.184 0.000 0.965 500 S CB -1.503 61.834 63.200 0.228 0.000 0.773 500 S HN -0.033 nan 8.310 nan 0.000 0.504 501 F N 2.485 122.426 119.950 -0.016 0.000 2.661 501 F HA 0.333 4.904 4.527 0.074 0.000 0.298 501 F C 2.082 177.811 175.800 -0.118 0.000 1.137 501 F CA -0.669 57.312 58.000 -0.032 0.000 1.454 501 F CB -0.939 38.072 39.000 0.017 0.000 1.103 501 F HN 0.357 nan 8.300 nan 0.000 0.577 502 G N 0.568 109.380 108.800 0.021 0.000 3.392 502 G HA2 0.038 4.042 3.960 0.074 0.000 0.247 502 G HA3 0.038 4.042 3.960 0.074 0.000 0.247 502 G C 0.067 174.595 174.900 -0.619 0.000 1.161 502 G CA 0.165 45.134 45.100 -0.219 0.000 1.739 502 G HN 0.077 nan 8.290 nan 0.000 0.619 503 E N -0.039 119.665 120.200 -0.825 0.000 2.278 503 E HA 0.325 4.719 4.350 0.074 0.000 0.272 503 E C -0.880 175.197 176.600 -0.872 0.000 0.890 503 E CA -0.753 55.186 56.400 -0.769 0.000 0.770 503 E CB 1.520 31.045 29.700 -0.291 0.000 1.212 503 E HN 0.232 nan 8.360 nan 0.000 0.415 504 Y N 2.469 122.551 120.300 -0.362 0.000 2.471 504 Y HA 0.194 4.789 4.550 0.074 0.000 0.249 504 Y C 0.775 176.415 175.900 -0.433 0.000 1.116 504 Y CA -0.156 57.658 58.100 -0.477 0.000 1.240 504 Y CB 0.372 38.402 38.460 -0.716 0.000 1.251 504 Y HN 0.410 nan 8.280 nan 0.000 0.527 505 Y N -0.900 119.474 120.300 0.124 0.000 2.535 505 Y HA 0.074 4.669 4.550 0.075 0.000 0.266 505 Y C 2.424 178.379 175.900 0.091 0.000 1.088 505 Y CA 0.172 58.345 58.100 0.121 0.000 1.285 505 Y CB -0.388 38.153 38.460 0.134 0.000 1.166 505 Y HN 0.085 nan 8.280 nan 0.000 0.525 506 S N -0.903 114.916 115.700 0.199 0.000 2.406 506 S HA -0.161 4.354 4.470 0.074 0.000 0.228 506 S C 1.553 176.219 174.600 0.109 0.000 1.020 506 S CA 1.262 59.560 58.200 0.164 0.000 0.965 506 S CB -0.758 62.538 63.200 0.159 0.000 0.798 506 S HN 0.548 nan 8.310 nan 0.000 0.488 507 H N 2.317 121.277 119.070 -0.183 0.000 2.363 507 H HA 0.069 4.670 4.556 0.075 0.000 0.301 507 H C -0.521 174.595 175.328 -0.353 0.000 1.074 507 H CA 1.073 56.861 56.048 -0.434 0.000 1.354 507 H CB -1.264 27.973 29.762 -0.875 0.000 1.397 507 H HN 0.409 nan 8.280 nan 0.000 0.516 508 P HA -0.202 nan 4.420 nan 0.000 0.215 508 P C 1.674 179.152 177.300 0.297 0.000 1.157 508 P CA 1.588 64.839 63.100 0.252 0.000 0.874 508 P CB -0.104 31.762 31.700 0.277 0.000 0.790 509 R N -0.291 120.333 120.500 0.207 0.000 2.075 509 R HA -0.134 4.251 4.340 0.074 0.000 0.232 509 R C 2.158 178.580 176.300 0.203 0.000 1.126 509 R CA 1.276 57.502 56.100 0.210 0.000 0.963 509 R CB -1.104 29.283 30.300 0.145 0.000 0.858 509 R HN 0.075 nan 8.270 nan 0.000 0.435 510 L N 0.569 121.854 121.223 0.103 0.000 2.046 510 L HA -0.123 4.262 4.340 0.074 0.000 0.208 510 L C 2.013 178.926 176.870 0.073 0.000 1.077 510 L CA 1.720 56.582 54.840 0.036 0.000 0.747 510 L CB -0.758 41.250 42.059 -0.086 0.000 0.896 510 L HN 0.248 nan 8.230 nan 0.000 0.432 511 F N -0.546 119.430 119.950 0.044 0.000 2.069 511 F HA -0.281 4.291 4.527 0.075 0.000 0.298 511 F C 2.343 178.150 175.800 0.011 0.000 1.113 511 F CA 2.316 60.323 58.000 0.012 0.000 1.214 511 F CB -0.720 38.317 39.000 0.062 0.000 0.978 511 F HN 0.388 nan 8.300 nan 0.000 0.474 512 W N 1.402 122.678 121.300 -0.040 0.000 2.317 512 W HA -0.271 4.433 4.660 0.074 0.000 0.318 512 W C 1.899 178.295 176.519 -0.204 0.000 1.227 512 W CA 2.017 59.296 57.345 -0.109 0.000 1.269 512 W CB -0.788 28.694 29.460 0.036 0.000 1.155 512 W HN 0.094 nan 8.180 nan 0.000 0.484 513 L N 1.146 122.309 121.223 -0.100 0.000 2.265 513 L HA -0.184 4.201 4.340 0.074 0.000 0.215 513 L C 2.274 178.955 176.870 -0.314 0.000 1.117 513 L CA 1.240 55.941 54.840 -0.233 0.000 0.782 513 L CB -0.729 41.311 42.059 -0.031 0.000 0.914 513 L HN -0.122 nan 8.230 nan 0.000 0.441 514 S N -1.484 114.013 115.700 -0.338 0.000 2.593 514 S HA 0.066 4.581 4.470 0.074 0.000 0.217 514 S C 0.654 174.969 174.600 -0.474 0.000 0.966 514 S CA -0.000 57.994 58.200 -0.343 0.000 0.914 514 S CB 0.009 63.037 63.200 -0.287 0.000 0.776 514 S HN 0.288 nan 8.310 nan 0.000 0.523 515 Q N 2.223 121.645 119.800 -0.629 0.000 2.260 515 Q HA 0.305 4.690 4.340 0.074 0.000 0.242 515 Q C 0.635 176.258 176.000 -0.629 0.000 0.932 515 Q CA -0.140 55.259 55.803 -0.675 0.000 0.891 515 Q CB 0.535 28.814 28.738 -0.765 0.000 1.222 515 Q HN 0.421 nan 8.270 nan 0.000 0.453 516 T N -1.853 112.291 114.554 -0.683 0.000 2.766 516 T HA 0.155 4.549 4.350 0.074 0.000 0.295 516 T C -1.730 172.517 174.700 -0.754 0.000 1.024 516 T CA -1.279 60.381 62.100 -0.733 0.000 1.018 516 T CB 0.248 68.450 68.868 -1.109 0.000 1.002 516 T HN 0.229 nan 8.240 nan 0.000 0.532 517 P HA -0.017 nan 4.420 nan 0.000 0.216 517 P C 1.443 178.517 177.300 -0.377 0.000 1.153 517 P CA 1.037 63.909 63.100 -0.379 0.000 0.848 517 P CB -0.279 31.317 31.700 -0.174 0.000 0.787 518 F N -0.075 119.663 119.950 -0.355 0.000 2.325 518 F HA 0.079 4.651 4.527 0.074 0.000 0.299 518 F C 1.795 177.184 175.800 -0.684 0.000 1.090 518 F CA 0.776 58.482 58.000 -0.490 0.000 1.392 518 F CB -1.530 37.192 39.000 -0.463 0.000 1.053 518 F HN -0.108 nan 8.300 nan 0.000 0.521 519 E N 0.551 120.131 120.200 -1.033 0.000 2.106 519 E HA -0.187 4.207 4.350 0.074 0.000 0.192 519 E C 2.185 178.583 176.600 -0.337 0.000 0.984 519 E CA 1.273 57.321 56.400 -0.585 0.000 0.806 519 E CB -0.233 29.108 29.700 -0.598 0.000 0.750 519 E HN 0.634 nan 8.360 nan 0.000 0.458 520 Q N 0.265 119.798 119.800 -0.445 0.000 2.119 520 Q HA -0.141 4.243 4.340 0.074 0.000 0.201 520 Q C 2.268 178.293 176.000 0.041 0.000 0.972 520 Q CA 0.839 56.429 55.803 -0.355 0.000 0.847 520 Q CB -0.130 28.122 28.738 -0.810 0.000 0.903 520 Q HN 0.133 nan 8.270 nan 0.000 0.433 521 R N 0.407 120.889 120.500 -0.030 0.000 2.081 521 R HA -0.166 4.218 4.340 0.074 0.000 0.235 521 R C 1.666 178.131 176.300 0.275 0.000 1.131 521 R CA 1.552 57.727 56.100 0.124 0.000 0.960 521 R CB -0.160 30.188 30.300 0.080 0.000 0.856 521 R HN 0.499 nan 8.270 nan 0.000 0.436 522 H N -0.245 118.913 119.070 0.148 0.000 2.357 522 H HA -0.076 4.524 4.556 0.074 0.000 0.301 522 H C 2.265 177.710 175.328 0.195 0.000 1.082 522 H CA 1.353 57.505 56.048 0.173 0.000 1.342 522 H CB 0.018 29.884 29.762 0.174 0.000 1.389 522 H HN 0.192 nan 8.280 nan 0.000 0.511 523 I N 0.264 121.049 120.570 0.358 0.000 2.127 523 I HA -0.281 3.934 4.170 0.074 0.000 0.241 523 I C 2.355 178.748 176.117 0.460 0.000 1.075 523 I CA 0.910 62.459 61.300 0.416 0.000 1.334 523 I CB -0.224 38.115 38.000 0.565 0.000 1.040 523 I HN 0.074 nan 8.210 nan 0.000 0.405 524 V N 1.010 121.191 119.914 0.444 0.000 2.282 524 V HA -0.355 3.809 4.120 0.074 0.000 0.249 524 V C 2.051 178.322 176.094 0.294 0.000 1.057 524 V CA 2.266 64.777 62.300 0.351 0.000 1.032 524 V CB -0.743 31.248 31.823 0.280 0.000 0.645 524 V HN 0.447 nan 8.190 nan 0.000 0.447 525 D N 0.282 120.840 120.400 0.263 0.000 2.178 525 D HA -0.087 4.597 4.640 0.074 0.000 0.202 525 D C 2.155 178.545 176.300 0.151 0.000 0.974 525 D CA 1.485 55.611 54.000 0.211 0.000 0.841 525 D CB -0.566 40.364 40.800 0.216 0.000 0.953 525 D HN 0.498 nan 8.370 nan 0.000 0.478 526 G N 0.268 109.131 108.800 0.105 0.000 2.433 526 G HA2 -0.244 3.760 3.960 0.074 0.000 0.216 526 G HA3 -0.244 3.760 3.960 0.074 0.000 0.216 526 G C 1.437 176.342 174.900 0.009 0.000 1.186 526 G CA 0.169 45.236 45.100 -0.056 0.000 0.779 526 G HN 0.156 nan 8.290 nan 0.000 0.543 527 F N 1.929 121.920 119.950 0.068 0.000 2.126 527 F HA -0.102 4.470 4.527 0.074 0.000 0.299 527 F C 3.161 178.892 175.800 -0.115 0.000 1.096 527 F CA 1.632 59.603 58.000 -0.048 0.000 1.255 527 F CB -0.332 38.642 39.000 -0.043 0.000 0.997 527 F HN 0.090 nan 8.300 nan 0.000 0.479 528 S N -0.142 115.659 115.700 0.168 0.000 2.355 528 S HA -0.198 4.316 4.470 0.074 0.000 0.222 528 S C 1.865 176.492 174.600 0.045 0.000 1.031 528 S CA 1.169 59.417 58.200 0.080 0.000 0.993 528 S CB -0.840 62.427 63.200 0.111 0.000 0.859 528 S HN 0.383 nan 8.310 nan 0.000 0.453 529 F N 2.631 122.553 119.950 -0.047 0.000 2.046 529 F HA -0.162 4.409 4.527 0.074 0.000 0.297 529 F C 2.426 178.175 175.800 -0.086 0.000 1.123 529 F CA 1.714 59.674 58.000 -0.066 0.000 1.199 529 F CB -0.311 38.587 39.000 -0.171 0.000 0.972 529 F HN 0.146 nan 8.300 nan 0.000 0.474 530 E N 0.546 120.741 120.200 -0.007 0.000 2.031 530 E HA -0.230 4.164 4.350 0.074 0.000 0.193 530 E C 2.339 178.780 176.600 -0.264 0.000 0.994 530 E CA 1.758 58.130 56.400 -0.047 0.000 0.800 530 E CB -0.596 29.226 29.700 0.202 0.000 0.752 530 E HN 0.478 nan 8.360 nan 0.000 0.447 531 L N 1.346 122.317 121.223 -0.420 0.000 2.265 531 L HA -0.144 4.241 4.340 0.074 0.000 0.215 531 L C 2.691 179.413 176.870 -0.247 0.000 1.117 531 L CA 1.073 55.653 54.840 -0.434 0.000 0.782 531 L CB -0.504 41.315 42.059 -0.399 0.000 0.914 531 L HN 0.147 nan 8.230 nan 0.000 0.441 532 S N -0.608 114.957 115.700 -0.224 0.000 2.489 532 S HA -0.060 4.455 4.470 0.074 0.000 0.228 532 S C 1.655 176.150 174.600 -0.176 0.000 0.995 532 S CA 0.398 58.487 58.200 -0.183 0.000 0.934 532 S CB 0.010 63.103 63.200 -0.177 0.000 0.771 532 S HN 0.307 nan 8.310 nan 0.000 0.522 533 K N 1.331 121.616 120.400 -0.191 0.000 2.387 533 K HA 0.303 4.667 4.320 0.074 0.000 0.198 533 K C -0.317 176.291 176.600 0.012 0.000 1.022 533 K CA 0.012 56.245 56.287 -0.091 0.000 1.128 533 K CB 0.590 33.037 32.500 -0.089 0.000 0.853 533 K HN 0.288 nan 8.250 nan 0.000 0.523 534 V N 2.291 122.191 119.914 -0.023 0.000 2.368 534 V HA 0.010 4.175 4.120 0.074 0.000 0.266 534 V C 1.752 177.830 176.094 -0.026 0.000 1.045 534 V CA -0.106 62.199 62.300 0.009 0.000 0.899 534 V CB 1.207 33.009 31.823 -0.035 0.000 1.006 534 V HN -0.097 nan 8.190 nan 0.000 0.470 535 V N 5.268 125.185 119.914 0.006 0.000 2.343 535 V HA -0.123 4.042 4.120 0.074 0.000 0.247 535 V C 1.313 177.377 176.094 -0.050 0.000 1.051 535 V CA 1.566 63.862 62.300 -0.007 0.000 1.036 535 V CB -0.470 31.367 31.823 0.024 0.000 0.654 535 V HN 0.783 nan 8.190 nan 0.000 0.451 536 R N 0.746 121.179 120.500 -0.112 0.000 2.210 536 R HA 0.225 4.610 4.340 0.074 0.000 0.338 536 R C -1.798 174.334 176.300 -0.279 0.000 1.062 536 R CA -1.566 54.414 56.100 -0.200 0.000 0.902 536 R CB 0.577 30.659 30.300 -0.365 0.000 1.050 536 R HN 0.223 nan 8.270 nan 0.000 0.461 537 P HA -0.208 nan 4.420 nan 0.000 0.217 537 P C 0.794 178.042 177.300 -0.087 0.000 1.150 537 P CA 1.128 64.175 63.100 -0.088 0.000 0.832 537 P CB -0.038 31.655 31.700 -0.011 0.000 0.787 538 Y N -1.006 119.293 120.300 -0.002 0.000 2.315 538 Y HA -0.105 4.489 4.550 0.074 0.000 0.288 538 Y C 1.915 177.817 175.900 0.004 0.000 1.154 538 Y CA 0.669 58.768 58.100 -0.002 0.000 1.229 538 Y CB -1.873 36.587 38.460 -0.001 0.000 0.980 538 Y HN -0.089 nan 8.280 nan 0.000 0.540 539 I N 0.702 120.964 120.570 -0.513 0.000 2.286 539 I HA -0.213 4.002 4.170 0.074 0.000 0.245 539 I C 2.508 178.567 176.117 -0.098 0.000 1.104 539 I CA 1.215 62.360 61.300 -0.259 0.000 1.397 539 I CB -0.425 37.393 38.000 -0.304 0.000 1.072 539 I HN 0.192 nan 8.210 nan 0.000 0.417 540 R N 1.021 121.438 120.500 -0.137 0.000 2.083 540 R HA -0.195 4.189 4.340 0.074 0.000 0.237 540 R C 2.145 178.399 176.300 -0.075 0.000 1.137 540 R CA 1.618 57.645 56.100 -0.123 0.000 0.951 540 R CB -0.428 29.796 30.300 -0.126 0.000 0.851 540 R HN 0.457 nan 8.270 nan 0.000 0.434 541 E N 0.405 120.585 120.200 -0.034 0.000 2.077 541 E HA -0.167 4.228 4.350 0.074 0.000 0.193 541 E C 2.157 178.766 176.600 0.014 0.000 0.989 541 E CA 1.063 57.462 56.400 -0.002 0.000 0.800 541 E CB -0.043 29.677 29.700 0.034 0.000 0.746 541 E HN 0.268 nan 8.360 nan 0.000 0.452 542 R N 0.337 120.865 120.500 0.047 0.000 2.096 542 R HA -0.114 4.270 4.340 0.074 0.000 0.235 542 R C 2.400 178.721 176.300 0.035 0.000 1.127 542 R CA 1.076 57.209 56.100 0.055 0.000 0.968 542 R CB -0.302 30.055 30.300 0.095 0.000 0.861 542 R HN 0.051 nan 8.270 nan 0.000 0.440 543 V N 0.258 120.189 119.914 0.028 0.000 2.295 543 V HA -0.221 3.944 4.120 0.074 0.000 0.246 543 V C 2.310 178.375 176.094 -0.049 0.000 1.049 543 V CA 1.601 63.922 62.300 0.035 0.000 1.024 543 V CB -0.375 31.478 31.823 0.051 0.000 0.648 543 V HN 0.124 nan 8.190 nan 0.000 0.447 544 V N 0.793 120.654 119.914 -0.088 0.000 2.282 544 V HA -0.372 3.792 4.120 0.074 0.000 0.249 544 V C 2.360 178.406 176.094 -0.080 0.000 1.057 544 V CA 2.668 64.897 62.300 -0.119 0.000 1.032 544 V CB -0.760 31.005 31.823 -0.097 0.000 0.645 544 V HN 0.721 nan 8.190 nan 0.000 0.447 545 D N -0.997 119.387 120.400 -0.025 0.000 2.144 545 D HA -0.199 4.486 4.640 0.074 0.000 0.199 545 D C 2.232 178.577 176.300 0.076 0.000 0.984 545 D CA 1.202 55.216 54.000 0.023 0.000 0.834 545 D CB -0.064 40.765 40.800 0.048 0.000 0.955 545 D HN 0.374 nan 8.370 nan 0.000 0.465 546 Q N -0.195 119.623 119.800 0.030 0.000 2.119 546 Q HA -0.073 4.312 4.340 0.074 0.000 0.201 546 Q C 2.573 178.569 176.000 -0.006 0.000 0.972 546 Q CA 0.672 56.491 55.803 0.027 0.000 0.847 546 Q CB -0.240 28.543 28.738 0.076 0.000 0.903 546 Q HN 0.461 nan 8.270 nan 0.000 0.433 547 L N 0.133 121.301 121.223 -0.090 0.000 2.131 547 L HA -0.110 4.275 4.340 0.074 0.000 0.210 547 L C 2.335 179.088 176.870 -0.194 0.000 1.092 547 L CA 0.905 55.626 54.840 -0.199 0.000 0.759 547 L CB -0.623 41.213 42.059 -0.372 0.000 0.903 547 L HN 0.086 nan 8.230 nan 0.000 0.435 548 A N -0.835 121.896 122.820 -0.149 0.000 2.121 548 A HA -0.190 4.174 4.320 0.074 0.000 0.218 548 A C 1.712 179.143 177.584 -0.256 0.000 1.154 548 A CA 1.208 53.135 52.037 -0.183 0.000 0.679 548 A CB -0.697 18.206 19.000 -0.163 0.000 0.795 548 A HN 0.440 nan 8.150 nan 0.000 0.458 549 H N -1.298 117.563 119.070 -0.348 0.000 2.551 549 H HA 0.280 4.881 4.556 0.075 0.000 0.266 549 H C 1.594 176.662 175.328 -0.433 0.000 0.964 549 H CA 0.854 56.579 56.048 -0.537 0.000 1.180 549 H CB 0.102 29.152 29.762 -1.187 0.000 1.408 549 H HN 0.495 nan 8.280 nan 0.000 0.563 550 I N -1.063 119.407 120.570 -0.166 0.000 2.685 550 I HA 0.058 4.272 4.170 0.074 0.000 0.251 550 I C -0.151 175.893 176.117 -0.122 0.000 1.102 550 I CA 0.556 61.821 61.300 -0.058 0.000 1.442 550 I CB 0.628 38.622 38.000 -0.010 0.000 1.194 550 I HN 0.092 nan 8.210 nan 0.000 0.448 551 D N -0.953 119.307 120.400 -0.233 0.000 2.804 551 D HA 0.217 4.901 4.640 0.074 0.000 0.209 551 D C 0.196 176.338 176.300 -0.265 0.000 1.314 551 D CA -0.385 53.459 54.000 -0.260 0.000 0.894 551 D CB 1.276 41.764 40.800 -0.521 0.000 1.615 551 D HN -0.207 nan 8.370 nan 0.000 0.571 552 L N 2.372 123.498 121.223 -0.162 0.000 2.083 552 L HA -0.027 4.357 4.340 0.074 0.000 0.209 552 L C 2.272 179.067 176.870 -0.124 0.000 1.083 552 L CA 1.753 56.510 54.840 -0.139 0.000 0.752 552 L CB -1.128 40.875 42.059 -0.093 0.000 0.899 552 L HN 0.620 nan 8.230 nan 0.000 0.433 553 T N -0.280 114.230 114.554 -0.073 0.000 2.746 553 T HA -0.195 4.199 4.350 0.074 0.000 0.267 553 T C 1.859 176.520 174.700 -0.066 0.000 1.039 553 T CA 1.523 63.626 62.100 0.004 0.000 1.142 553 T CB -0.338 68.625 68.868 0.158 0.000 0.866 553 T HN 0.214 nan 8.240 nan 0.000 0.444 554 L N 1.707 122.744 121.223 -0.310 0.000 1.994 554 L HA 0.083 4.467 4.340 0.074 0.000 0.208 554 L C 2.619 179.276 176.870 -0.355 0.000 1.071 554 L CA 2.117 56.613 54.840 -0.573 0.000 0.745 554 L CB -1.234 39.996 42.059 -1.382 0.000 0.892 554 L HN 0.201 nan 8.230 nan 0.000 0.431 555 A N -0.940 121.680 122.820 -0.333 0.000 1.908 555 A HA -0.322 4.043 4.320 0.074 0.000 0.218 555 A C 2.335 179.823 177.584 -0.160 0.000 1.181 555 A CA 2.092 53.979 52.037 -0.250 0.000 0.627 555 A CB -0.807 18.064 19.000 -0.214 0.000 0.818 555 A HN 0.673 nan 8.150 nan 0.000 0.445 556 Q N -0.945 118.784 119.800 -0.119 0.000 2.119 556 Q HA -0.030 4.354 4.340 0.074 0.000 0.201 556 Q C 2.205 178.181 176.000 -0.041 0.000 0.972 556 Q CA 1.607 57.370 55.803 -0.066 0.000 0.847 556 Q CB -0.348 28.365 28.738 -0.042 0.000 0.903 556 Q HN 0.655 nan 8.270 nan 0.000 0.433 557 A N -0.713 122.088 122.820 -0.030 0.000 1.898 557 A HA -0.105 4.260 4.320 0.074 0.000 0.216 557 A C 2.165 179.751 177.584 0.004 0.000 1.181 557 A CA 1.348 53.394 52.037 0.015 0.000 0.620 557 A CB -0.560 18.481 19.000 0.068 0.000 0.819 557 A HN 0.270 nan 8.150 nan 0.000 0.442 558 V N -0.080 119.807 119.914 -0.045 0.000 2.270 558 V HA -0.207 3.958 4.120 0.074 0.000 0.245 558 V C 3.076 179.138 176.094 -0.053 0.000 1.043 558 V CA 1.811 64.080 62.300 -0.050 0.000 1.014 558 V CB -1.330 30.410 31.823 -0.139 0.000 0.645 558 V HN 0.594 nan 8.190 nan 0.000 0.447 559 A N 0.110 122.886 122.820 -0.072 0.000 1.892 559 A HA -0.328 4.037 4.320 0.074 0.000 0.218 559 A C 2.366 179.931 177.584 -0.031 0.000 1.188 559 A CA 2.493 54.495 52.037 -0.057 0.000 0.631 559 A CB -0.600 18.363 19.000 -0.061 0.000 0.822 559 A HN 0.532 nan 8.150 nan 0.000 0.447 560 K N -0.623 119.766 120.400 -0.018 0.000 2.147 560 K HA -0.169 4.195 4.320 0.074 0.000 0.205 560 K C 1.212 177.817 176.600 0.008 0.000 1.049 560 K CA 1.521 57.807 56.287 -0.001 0.000 0.936 560 K CB -0.251 32.254 32.500 0.009 0.000 0.722 560 K HN 0.437 nan 8.250 nan 0.000 0.446 561 N N 0.819 119.527 118.700 0.014 0.000 2.457 561 N HA -0.054 4.731 4.740 0.074 0.000 0.180 561 N C 1.263 176.776 175.510 0.005 0.000 1.050 561 N CA 0.683 53.748 53.050 0.025 0.000 0.906 561 N CB 0.136 38.651 38.487 0.048 0.000 0.968 561 N HN 0.263 nan 8.380 nan 0.000 0.445 562 L N -0.571 120.643 121.223 -0.015 0.000 2.628 562 L HA 0.269 4.654 4.340 0.074 0.000 0.229 562 L C 0.949 177.806 176.870 -0.022 0.000 1.137 562 L CA -0.146 54.676 54.840 -0.029 0.000 0.909 562 L CB -0.122 41.904 42.059 -0.054 0.000 1.137 562 L HN 0.060 nan 8.230 nan 0.000 0.470 563 G N 1.343 110.136 108.800 -0.011 0.000 2.198 563 G HA2 -0.288 3.716 3.960 0.074 0.000 0.260 563 G HA3 -0.288 3.716 3.960 0.074 0.000 0.260 563 G C 0.104 174.997 174.900 -0.012 0.000 1.025 563 G CA 0.171 45.266 45.100 -0.007 0.000 0.769 563 G HN 0.344 nan 8.290 nan 0.000 0.507 564 I N -0.574 119.985 120.570 -0.019 0.000 2.525 564 I HA 0.520 4.734 4.170 0.074 0.000 0.301 564 I C 0.202 176.307 176.117 -0.021 0.000 0.992 564 I CA -0.942 60.345 61.300 -0.021 0.000 1.162 564 I CB 1.822 39.803 38.000 -0.032 0.000 1.332 564 I HN 0.052 nan 8.210 nan 0.000 0.458 565 E N 5.042 125.231 120.200 -0.019 0.000 2.113 565 E HA 0.406 4.800 4.350 0.074 0.000 0.273 565 E C -1.038 175.547 176.600 -0.025 0.000 0.924 565 E CA -0.466 55.923 56.400 -0.019 0.000 0.764 565 E CB 0.984 30.676 29.700 -0.013 0.000 1.104 565 E HN 0.369 nan 8.360 nan 0.000 0.406 566 L N 3.862 125.066 121.223 -0.032 0.000 2.453 566 L HA 0.168 4.552 4.340 0.074 0.000 0.272 566 L C 0.955 177.805 176.870 -0.032 0.000 1.182 566 L CA -0.278 54.538 54.840 -0.039 0.000 0.858 566 L CB 0.294 42.321 42.059 -0.052 0.000 1.120 566 L HN 0.659 nan 8.230 nan 0.000 0.474 567 T N -1.863 112.672 114.554 -0.031 0.000 2.802 567 T HA 0.019 4.413 4.350 0.074 0.000 0.305 567 T C 0.789 175.470 174.700 -0.032 0.000 1.053 567 T CA -0.696 61.388 62.100 -0.026 0.000 1.058 567 T CB 0.958 69.813 68.868 -0.021 0.000 0.988 567 T HN 0.516 nan 8.240 nan 0.000 0.539 568 D N 0.474 120.858 120.400 -0.027 0.000 2.117 568 D HA -0.063 4.621 4.640 0.074 0.000 0.197 568 D C 1.724 178.001 176.300 -0.038 0.000 0.987 568 D CA 1.138 55.120 54.000 -0.029 0.000 0.829 568 D CB -0.341 40.446 40.800 -0.022 0.000 0.961 568 D HN 0.618 nan 8.370 nan 0.000 0.460 569 D N 0.379 120.758 120.400 -0.036 0.000 2.104 569 D HA -0.134 4.551 4.640 0.074 0.000 0.194 569 D C 2.111 178.369 176.300 -0.071 0.000 0.994 569 D CA 0.866 54.840 54.000 -0.044 0.000 0.830 569 D CB -0.216 40.566 40.800 -0.030 0.000 0.959 569 D HN 0.331 nan 8.370 nan 0.000 0.452 570 Q N -0.252 119.506 119.800 -0.071 0.000 2.124 570 Q HA -0.055 4.330 4.340 0.074 0.000 0.202 570 Q C 2.414 178.346 176.000 -0.114 0.000 0.977 570 Q CA 0.655 56.396 55.803 -0.103 0.000 0.850 570 Q CB -0.084 28.606 28.738 -0.079 0.000 0.901 570 Q HN 0.317 nan 8.270 nan 0.000 0.429 571 L N 0.835 122.009 121.223 -0.082 0.000 2.275 571 L HA -0.140 4.244 4.340 0.074 0.000 0.215 571 L C 1.280 178.104 176.870 -0.077 0.000 1.119 571 L CA 0.525 55.320 54.840 -0.075 0.000 0.790 571 L CB -0.193 41.835 42.059 -0.052 0.000 0.919 571 L HN 0.246 nan 8.230 nan 0.000 0.443 572 N N -0.025 118.627 118.700 -0.079 0.000 2.280 572 N HA 0.189 4.973 4.740 0.074 0.000 0.192 572 N C 0.424 175.874 175.510 -0.100 0.000 1.109 572 N CA 0.112 53.118 53.050 -0.073 0.000 0.855 572 N CB 0.411 38.866 38.487 -0.053 0.000 0.974 572 N HN 0.260 nan 8.380 nan 0.000 0.482 573 I N 2.041 122.518 120.570 -0.154 0.000 2.662 573 I HA -0.076 4.138 4.170 0.074 0.000 0.285 573 I C 0.414 176.436 176.117 -0.158 0.000 1.161 573 I CA 0.412 61.583 61.300 -0.215 0.000 1.415 573 I CB 0.064 37.812 38.000 -0.419 0.000 1.385 573 I HN -0.148 nan 8.210 nan 0.000 0.552 574 T N 8.406 122.895 114.554 -0.109 0.000 2.902 574 T HA 0.119 4.514 4.350 0.074 0.000 0.301 574 T C -1.909 172.751 174.700 -0.066 0.000 1.012 574 T CA -0.830 61.231 62.100 -0.064 0.000 1.151 574 T CB -0.031 68.820 68.868 -0.029 0.000 0.946 574 T HN 0.419 nan 8.240 nan 0.000 0.542 575 P HA 0.190 nan 4.420 nan 0.000 0.269 575 P C -2.465 174.846 177.300 0.019 0.000 1.217 575 P CA -1.333 61.752 63.100 -0.025 0.000 0.783 575 P CB -0.526 31.171 31.700 -0.005 0.000 0.898 576 P HA 0.282 nan 4.420 nan 0.000 0.274 576 P C -2.470 174.884 177.300 0.089 0.000 1.237 576 P CA -1.550 61.616 63.100 0.110 0.000 0.793 576 P CB -1.072 30.743 31.700 0.191 0.000 0.977 577 P HA 0.083 nan 4.420 nan 0.000 0.269 577 P C -0.198 177.149 177.300 0.077 0.000 1.217 577 P CA 0.285 63.431 63.100 0.077 0.000 0.783 577 P CB 0.150 31.898 31.700 0.080 0.000 0.898 578 D N -0.162 120.276 120.400 0.064 0.000 2.362 578 D HA 0.051 4.736 4.640 0.074 0.000 0.238 578 D C -0.159 176.179 176.300 0.064 0.000 1.212 578 D CA 0.106 54.138 54.000 0.054 0.000 0.902 578 D CB 0.289 41.117 40.800 0.047 0.000 1.180 578 D HN -0.052 nan 8.370 nan 0.000 0.445 579 V N 2.396 122.330 119.914 0.035 0.000 2.339 579 V HA 0.074 4.238 4.120 0.074 0.000 0.261 579 V C 0.102 176.269 176.094 0.122 0.000 1.058 579 V CA -0.469 61.868 62.300 0.061 0.000 0.897 579 V CB -0.455 31.292 31.823 -0.127 0.000 1.052 579 V HN 0.595 nan 8.190 nan 0.000 0.480 580 N N 4.435 123.234 118.700 0.164 0.000 2.705 580 N HA -0.217 4.568 4.740 0.074 0.000 0.255 580 N C 1.185 176.755 175.510 0.099 0.000 1.008 580 N CA 0.957 54.096 53.050 0.148 0.000 0.742 580 N CB -0.895 37.722 38.487 0.217 0.000 0.906 580 N HN 1.273 nan 8.380 nan 0.000 0.541 581 G N -1.764 107.081 108.800 0.074 0.000 2.189 581 G HA2 -0.347 3.657 3.960 0.074 0.000 0.267 581 G HA3 -0.347 3.657 3.960 0.074 0.000 0.267 581 G C 0.186 175.112 174.900 0.043 0.000 0.975 581 G CA 0.533 45.664 45.100 0.052 0.000 0.644 581 G HN 0.453 nan 8.290 nan 0.000 0.537 582 L N -0.538 120.711 121.223 0.044 0.000 2.380 582 L HA 0.446 4.830 4.340 0.074 0.000 0.273 582 L C 1.489 178.367 176.870 0.014 0.000 1.138 582 L CA -0.105 54.751 54.840 0.026 0.000 0.832 582 L CB 1.155 43.225 42.059 0.019 0.000 1.124 582 L HN 0.043 nan 8.230 nan 0.000 0.454 583 K N 2.134 122.538 120.400 0.006 0.000 2.353 583 K HA 0.139 4.503 4.320 0.074 0.000 0.195 583 K C -0.594 175.994 176.600 -0.019 0.000 1.031 583 K CA 0.122 56.409 56.287 0.000 0.000 1.079 583 K CB 0.413 32.914 32.500 0.001 0.000 0.857 583 K HN 0.580 nan 8.250 nan 0.000 0.535 584 K N -1.074 119.310 120.400 -0.027 0.000 2.818 584 K HA 0.176 4.540 4.320 0.074 0.000 0.287 584 K C -2.176 174.401 176.600 -0.038 0.000 1.061 584 K CA -0.979 55.276 56.287 -0.053 0.000 0.858 584 K CB 0.951 33.403 32.500 -0.079 0.000 1.456 584 K HN -0.227 nan 8.250 nan 0.000 0.364 585 D N 1.924 122.296 120.400 -0.047 0.000 2.479 585 D HA 0.266 4.951 4.640 0.074 0.000 0.246 585 D C -2.028 174.252 176.300 -0.033 0.000 1.336 585 D CA -1.962 52.028 54.000 -0.016 0.000 0.967 585 D CB 2.079 42.888 40.800 0.015 0.000 1.275 585 D HN 0.288 nan 8.370 nan 0.000 0.577 586 P HA -0.101 nan 4.420 nan 0.000 0.225 586 P C 1.207 178.501 177.300 -0.009 0.000 1.148 586 P CA 0.701 63.776 63.100 -0.041 0.000 0.779 586 P CB 0.090 31.775 31.700 -0.025 0.000 0.780 587 S N -1.141 114.585 115.700 0.043 0.000 2.555 587 S HA 0.008 4.523 4.470 0.074 0.000 0.230 587 S C 1.661 176.347 174.600 0.143 0.000 0.978 587 S CA 0.403 58.664 58.200 0.102 0.000 0.934 587 S CB -1.314 61.971 63.200 0.141 0.000 0.766 587 S HN 0.128 nan 8.310 nan 0.000 0.533 588 L N 1.031 122.299 121.223 0.074 0.000 2.509 588 L HA 0.242 4.627 4.340 0.074 0.000 0.222 588 L C 1.382 178.147 176.870 -0.175 0.000 1.123 588 L CA 0.040 54.915 54.840 0.059 0.000 0.856 588 L CB -0.199 41.867 42.059 0.012 0.000 0.985 588 L HN 0.311 nan 8.230 nan 0.000 0.456 589 S N -0.311 115.275 115.700 -0.190 0.000 2.562 589 S HA 0.302 4.816 4.470 0.074 0.000 0.275 589 S C 1.110 175.603 174.600 -0.179 0.000 1.281 589 S CA -0.625 57.414 58.200 -0.268 0.000 1.045 589 S CB 1.335 64.379 63.200 -0.260 0.000 0.962 589 S HN 0.162 nan 8.310 nan 0.000 0.503 590 L N 3.260 124.305 121.223 -0.297 0.000 2.109 590 L HA -0.013 4.372 4.340 0.074 0.000 0.207 590 L C 0.850 177.478 176.870 -0.403 0.000 1.086 590 L CA 1.262 55.827 54.840 -0.458 0.000 0.760 590 L CB -0.254 41.214 42.059 -0.987 0.000 0.910 590 L HN 0.782 nan 8.230 nan 0.000 0.437 591 Y N -2.448 117.861 120.300 0.014 0.000 2.432 591 Y HA 0.324 4.919 4.550 0.075 0.000 0.252 591 Y C 2.115 178.046 175.900 0.052 0.000 1.097 591 Y CA -0.172 57.986 58.100 0.097 0.000 1.250 591 Y CB -0.502 38.066 38.460 0.181 0.000 1.245 591 Y HN -0.043 nan 8.280 nan 0.000 0.522 592 A N 0.920 123.780 122.820 0.066 0.000 1.892 592 A HA -0.134 4.231 4.320 0.074 0.000 0.218 592 A C 1.006 178.631 177.584 0.068 0.000 1.188 592 A CA 1.217 53.263 52.037 0.016 0.000 0.631 592 A CB -0.846 18.108 19.000 -0.077 0.000 0.822 592 A HN 0.300 nan 8.150 nan 0.000 0.447 593 I N 1.813 122.425 120.570 0.071 0.000 2.304 593 I HA 0.211 4.426 4.170 0.074 0.000 0.291 593 I C -2.156 174.034 176.117 0.121 0.000 1.018 593 I CA -2.297 59.053 61.300 0.083 0.000 1.260 593 I CB 1.363 39.400 38.000 0.061 0.000 1.390 593 I HN 0.143 nan 8.210 nan 0.000 0.475 594 P HA -0.026 nan 4.420 nan 0.000 0.262 594 P C -0.475 176.899 177.300 0.123 0.000 1.182 594 P CA 0.347 63.535 63.100 0.148 0.000 0.761 594 P CB 0.578 32.349 31.700 0.119 0.000 0.795 595 D N 1.033 121.515 120.400 0.137 0.000 2.783 595 D HA 0.072 4.757 4.640 0.074 0.000 0.306 595 D C 0.439 176.799 176.300 0.099 0.000 1.633 595 D CA -0.400 53.663 54.000 0.105 0.000 0.796 595 D CB -0.536 40.324 40.800 0.099 0.000 1.230 595 D HN 0.324 nan 8.370 nan 0.000 0.441 596 G N 0.320 109.186 108.800 0.111 0.000 2.340 596 G HA2 0.340 4.345 3.960 0.074 0.000 0.245 596 G HA3 0.340 4.345 3.960 0.074 0.000 0.245 596 G C -0.644 174.294 174.900 0.063 0.000 1.294 596 G CA 0.059 45.218 45.100 0.099 0.000 0.896 596 G HN 0.160 nan 8.290 nan 0.000 0.522 597 D N 1.257 121.688 120.400 0.052 0.000 2.686 597 D HA 0.218 4.903 4.640 0.074 0.000 0.249 597 D C 1.067 177.382 176.300 0.025 0.000 1.260 597 D CA -0.611 53.407 54.000 0.029 0.000 0.910 597 D CB 1.905 42.715 40.800 0.017 0.000 1.323 597 D HN 0.239 nan 8.370 nan 0.000 0.561 598 V N 1.938 121.860 119.914 0.013 0.000 3.235 598 V HA 0.215 4.380 4.120 0.074 0.000 0.259 598 V C 1.056 177.137 176.094 -0.021 0.000 1.133 598 V CA 0.174 62.477 62.300 0.005 0.000 1.128 598 V CB -0.653 31.168 31.823 -0.004 0.000 0.757 598 V HN 0.402 nan 8.190 nan 0.000 0.469 599 K N 1.424 121.804 120.400 -0.034 0.000 2.484 599 K HA 0.334 4.699 4.320 0.074 0.000 0.280 599 K C 1.207 177.776 176.600 -0.052 0.000 1.013 599 K CA 1.164 57.411 56.287 -0.067 0.000 1.029 599 K CB -0.006 32.457 32.500 -0.061 0.000 0.902 599 K HN 0.790 nan 8.250 nan 0.000 0.481 600 G N 3.060 111.809 108.800 -0.086 0.000 2.195 600 G HA2 -0.215 3.790 3.960 0.074 0.000 0.246 600 G HA3 -0.215 3.790 3.960 0.074 0.000 0.246 600 G C 0.134 175.089 174.900 0.092 0.000 0.984 600 G CA -0.111 45.006 45.100 0.029 0.000 0.633 600 G HN 0.578 nan 8.290 nan 0.000 0.525 601 R N -0.381 120.142 120.500 0.039 0.000 2.668 601 R HA 0.743 5.128 4.340 0.074 0.000 0.268 601 R C 0.008 176.373 176.300 0.109 0.000 1.232 601 R CA -0.128 56.021 56.100 0.081 0.000 1.166 601 R CB 0.579 30.917 30.300 0.064 0.000 1.179 601 R HN 0.669 nan 8.270 nan 0.000 0.606 602 V N 0.225 120.211 119.914 0.119 0.000 2.851 602 V HA 0.365 4.529 4.120 0.074 0.000 0.307 602 V C -1.207 174.952 176.094 0.108 0.000 1.129 602 V CA -0.713 61.670 62.300 0.139 0.000 0.932 602 V CB 2.416 34.341 31.823 0.170 0.000 1.024 602 V HN 0.338 nan 8.190 nan 0.000 0.426 603 V N 5.746 125.718 119.914 0.097 0.000 2.513 603 V HA 0.820 4.985 4.120 0.074 0.000 0.299 603 V C 0.502 176.651 176.094 0.091 0.000 1.035 603 V CA -0.120 62.227 62.300 0.079 0.000 0.889 603 V CB 1.797 33.652 31.823 0.053 0.000 0.988 603 V HN 1.158 nan 8.190 nan 0.000 0.440 604 A N 5.967 128.848 122.820 0.102 0.000 2.328 604 A HA 0.794 5.159 4.320 0.074 0.000 0.284 604 A C -0.523 177.077 177.584 0.027 0.000 1.160 604 A CA -0.265 51.823 52.037 0.086 0.000 0.818 604 A CB 0.102 19.199 19.000 0.162 0.000 1.087 604 A HN 0.762 nan 8.150 nan 0.000 0.504 605 I N 3.531 124.110 120.570 0.015 0.000 2.382 605 I HA 0.203 4.418 4.170 0.074 0.000 0.285 605 I C -0.596 175.529 176.117 0.014 0.000 1.007 605 I CA -0.187 61.122 61.300 0.015 0.000 1.142 605 I CB 1.426 39.446 38.000 0.034 0.000 1.289 605 I HN 0.492 nan 8.210 nan 0.000 0.453 606 L N 7.156 128.373 121.223 -0.009 0.000 2.342 606 L HA 0.388 4.772 4.340 0.074 0.000 0.285 606 L C 0.093 177.061 176.870 0.163 0.000 1.095 606 L CA -0.321 54.568 54.840 0.082 0.000 0.843 606 L CB -0.106 41.865 42.059 -0.146 0.000 1.201 606 L HN 0.446 nan 8.230 nan 0.000 0.445 607 L N 3.599 124.959 121.223 0.228 0.000 2.466 607 L HA 0.261 4.645 4.340 0.074 0.000 0.257 607 L C 0.175 177.210 176.870 0.276 0.000 1.189 607 L CA -0.301 54.624 54.840 0.141 0.000 0.813 607 L CB 0.710 42.751 42.059 -0.031 0.000 1.118 607 L HN 0.720 nan 8.230 nan 0.000 0.471 608 N N -2.003 116.753 118.700 0.093 0.000 2.629 608 N HA 0.218 5.003 4.740 0.074 0.000 0.279 608 N C -0.509 174.936 175.510 -0.110 0.000 1.344 608 N CA -0.822 52.325 53.050 0.161 0.000 0.789 608 N CB 0.679 39.271 38.487 0.176 0.000 1.508 608 N HN 0.521 nan 8.380 nan 0.000 0.516 609 D N -1.908 118.469 120.400 -0.040 0.000 2.338 609 D HA 0.030 4.714 4.640 0.074 0.000 0.239 609 D C -0.313 175.944 176.300 -0.072 0.000 1.095 609 D CA 0.539 54.464 54.000 -0.125 0.000 0.888 609 D CB -0.081 40.722 40.800 0.005 0.000 0.899 609 D HN 0.651 nan 8.370 nan 0.000 0.525 610 E N 0.098 120.271 120.200 -0.045 0.000 3.554 610 E HA 0.186 4.581 4.350 0.074 0.000 0.286 610 E C -1.379 175.204 176.600 -0.027 0.000 1.173 610 E CA -0.410 55.970 56.400 -0.033 0.000 1.117 610 E CB 0.371 30.062 29.700 -0.015 0.000 1.323 610 E HN -0.080 nan 8.360 nan 0.000 0.394 611 V N 1.872 121.762 119.914 -0.041 0.000 2.655 611 V HA 0.145 4.310 4.120 0.074 0.000 0.300 611 V C 0.998 177.074 176.094 -0.029 0.000 1.044 611 V CA 0.085 62.367 62.300 -0.030 0.000 1.095 611 V CB 0.942 32.742 31.823 -0.039 0.000 0.952 611 V HN 0.403 nan 8.190 nan 0.000 0.485 612 R N 3.078 123.562 120.500 -0.027 0.000 2.351 612 R HA 0.060 4.445 4.340 0.074 0.000 0.321 612 R C 1.604 177.884 176.300 -0.032 0.000 1.182 612 R CA 0.413 56.494 56.100 -0.031 0.000 1.011 612 R CB 0.353 30.630 30.300 -0.039 0.000 1.048 612 R HN 1.035 nan 8.270 nan 0.000 0.490 613 S N 2.512 118.195 115.700 -0.029 0.000 2.402 613 S HA -0.269 4.246 4.470 0.074 0.000 0.233 613 S C 2.021 176.606 174.600 -0.025 0.000 1.030 613 S CA 1.149 59.334 58.200 -0.025 0.000 1.003 613 S CB -0.115 63.072 63.200 -0.022 0.000 0.813 613 S HN 0.657 nan 8.310 nan 0.000 0.477 614 A N 2.382 125.185 122.820 -0.029 0.000 1.908 614 A HA -0.169 4.196 4.320 0.074 0.000 0.218 614 A C 2.014 179.574 177.584 -0.040 0.000 1.181 614 A CA 1.868 53.886 52.037 -0.032 0.000 0.627 614 A CB -0.936 18.043 19.000 -0.036 0.000 0.818 614 A HN 0.479 nan 8.150 nan 0.000 0.445 615 D N -0.703 119.664 120.400 -0.054 0.000 2.097 615 D HA -0.091 4.593 4.640 0.074 0.000 0.197 615 D C 1.844 178.121 176.300 -0.037 0.000 0.984 615 D CA 1.033 54.989 54.000 -0.073 0.000 0.826 615 D CB -0.410 40.329 40.800 -0.100 0.000 0.973 615 D HN 0.288 nan 8.370 nan 0.000 0.460 616 L N 0.426 121.635 121.223 -0.024 0.000 2.042 616 L HA -0.131 4.254 4.340 0.074 0.000 0.210 616 L C 2.116 178.987 176.870 0.001 0.000 1.076 616 L CA 1.217 56.053 54.840 -0.006 0.000 0.749 616 L CB -0.625 41.428 42.059 -0.010 0.000 0.893 616 L HN 0.006 nan 8.230 nan 0.000 0.432 617 L N -0.531 120.689 121.223 -0.005 0.000 2.012 617 L HA -0.178 4.207 4.340 0.074 0.000 0.210 617 L C 2.559 179.433 176.870 0.006 0.000 1.073 617 L CA 2.127 56.966 54.840 -0.001 0.000 0.748 617 L CB -1.024 41.031 42.059 -0.006 0.000 0.891 617 L HN 0.326 nan 8.230 nan 0.000 0.431 618 A N -0.748 122.074 122.820 0.003 0.000 1.902 618 A HA -0.183 4.181 4.320 0.074 0.000 0.217 618 A C 2.272 179.879 177.584 0.039 0.000 1.181 618 A CA 1.938 53.984 52.037 0.016 0.000 0.623 618 A CB -0.790 18.213 19.000 0.005 0.000 0.818 618 A HN 0.442 nan 8.150 nan 0.000 0.443 619 I N -0.302 120.294 120.570 0.044 0.000 2.099 619 I HA -0.281 3.934 4.170 0.074 0.000 0.239 619 I C 2.414 178.559 176.117 0.046 0.000 1.066 619 I CA 1.400 62.741 61.300 0.068 0.000 1.324 619 I CB -0.330 37.712 38.000 0.070 0.000 1.037 619 I HN 0.289 nan 8.210 nan 0.000 0.401 620 L N 0.330 121.572 121.223 0.032 0.000 2.093 620 L HA -0.213 4.172 4.340 0.074 0.000 0.208 620 L C 2.615 179.496 176.870 0.018 0.000 1.085 620 L CA 1.244 56.099 54.840 0.025 0.000 0.755 620 L CB -0.611 41.462 42.059 0.022 0.000 0.904 620 L HN 0.263 nan 8.230 nan 0.000 0.435 621 K N 0.598 121.008 120.400 0.017 0.000 2.057 621 K HA -0.163 4.202 4.320 0.074 0.000 0.206 621 K C 2.111 178.717 176.600 0.011 0.000 1.050 621 K CA 1.334 57.628 56.287 0.012 0.000 0.935 621 K CB 0.012 32.519 32.500 0.011 0.000 0.715 621 K HN 0.259 nan 8.250 nan 0.000 0.439 622 A N 1.398 124.229 122.820 0.019 0.000 1.897 622 A HA -0.056 4.309 4.320 0.074 0.000 0.215 622 A C 2.127 179.713 177.584 0.003 0.000 1.181 622 A CA 0.843 52.890 52.037 0.016 0.000 0.620 622 A CB -0.463 18.556 19.000 0.032 0.000 0.821 622 A HN 0.282 nan 8.150 nan 0.000 0.443 623 L N -0.531 120.695 121.223 0.004 0.000 2.046 623 L HA -0.207 4.177 4.340 0.074 0.000 0.208 623 L C 2.674 179.520 176.870 -0.039 0.000 1.077 623 L CA 1.957 56.789 54.840 -0.014 0.000 0.747 623 L CB -0.449 41.611 42.059 0.000 0.000 0.896 623 L HN 0.478 nan 8.230 nan 0.000 0.432 624 K N 0.326 120.711 120.400 -0.025 0.000 2.057 624 K HA -0.197 4.168 4.320 0.074 0.000 0.207 624 K C 2.069 178.646 176.600 -0.038 0.000 1.049 624 K CA 1.406 57.673 56.287 -0.033 0.000 0.931 624 K CB -0.036 32.458 32.500 -0.009 0.000 0.714 624 K HN 0.280 nan 8.250 nan 0.000 0.440 625 A N 1.176 123.981 122.820 -0.024 0.000 1.969 625 A HA -0.093 4.271 4.320 0.074 0.000 0.218 625 A C 1.643 179.209 177.584 -0.030 0.000 1.169 625 A CA 1.225 53.250 52.037 -0.021 0.000 0.635 625 A CB -0.100 18.895 19.000 -0.009 0.000 0.810 625 A HN 0.173 nan 8.150 nan 0.000 0.445 626 K N -1.200 119.176 120.400 -0.039 0.000 2.404 626 K HA 0.168 4.532 4.320 0.074 0.000 0.194 626 K C 0.919 177.472 176.600 -0.078 0.000 1.023 626 K CA 0.655 56.915 56.287 -0.046 0.000 1.094 626 K CB 0.063 32.541 32.500 -0.037 0.000 0.841 626 K HN 0.699 nan 8.250 nan 0.000 0.523 627 G N 1.715 110.449 108.800 -0.110 0.000 2.176 627 G HA2 -0.224 3.780 3.960 0.074 0.000 0.252 627 G HA3 -0.224 3.780 3.960 0.074 0.000 0.252 627 G C 0.018 174.722 174.900 -0.327 0.000 1.024 627 G CA 0.126 45.113 45.100 -0.189 0.000 0.755 627 G HN 0.112 nan 8.290 nan 0.000 0.507 628 V N 2.325 122.082 119.914 -0.262 0.000 2.439 628 V HA 0.482 4.647 4.120 0.074 0.000 0.282 628 V C 0.741 176.668 176.094 -0.278 0.000 1.039 628 V CA -1.102 61.055 62.300 -0.238 0.000 0.913 628 V CB 1.278 33.047 31.823 -0.090 0.000 0.983 628 V HN 0.374 nan 8.190 nan 0.000 0.460 629 H N 2.388 121.468 119.070 0.017 0.000 2.499 629 H HA 0.799 5.400 4.556 0.074 0.000 0.352 629 H C 0.077 175.424 175.328 0.031 0.000 1.237 629 H CA -0.204 55.856 56.048 0.021 0.000 1.343 629 H CB 1.880 31.655 29.762 0.022 0.000 1.578 629 H HN 0.760 nan 8.280 nan 0.000 0.577 630 A N 1.022 123.947 122.820 0.175 0.000 2.435 630 A HA 0.530 4.894 4.320 0.074 0.000 0.304 630 A C -0.762 176.878 177.584 0.094 0.000 1.064 630 A CA -0.879 51.223 52.037 0.108 0.000 0.727 630 A CB 1.607 20.653 19.000 0.076 0.000 1.284 630 A HN 0.738 nan 8.150 nan 0.000 0.415 631 K N 2.306 122.754 120.400 0.080 0.000 2.463 631 K HA 0.660 5.024 4.320 0.074 0.000 0.255 631 K C -1.716 174.913 176.600 0.048 0.000 0.942 631 K CA -0.469 55.858 56.287 0.066 0.000 0.814 631 K CB 1.211 33.760 32.500 0.083 0.000 1.122 631 K HN 0.534 nan 8.250 nan 0.000 0.425 632 L N 5.439 126.681 121.223 0.032 0.000 2.278 632 L HA 0.361 4.746 4.340 0.074 0.000 0.287 632 L C -0.457 176.419 176.870 0.010 0.000 1.072 632 L CA -0.688 54.163 54.840 0.019 0.000 0.819 632 L CB 0.274 42.336 42.059 0.004 0.000 1.176 632 L HN 0.533 nan 8.230 nan 0.000 0.435 633 L N 3.811 125.044 121.223 0.017 0.000 2.342 633 L HA 0.596 4.981 4.340 0.074 0.000 0.271 633 L C -0.882 175.939 176.870 -0.081 0.000 1.008 633 L CA -0.797 54.019 54.840 -0.041 0.000 0.818 633 L CB 1.959 44.013 42.059 -0.008 0.000 1.296 633 L HN 0.398 nan 8.230 nan 0.000 0.427 634 Y N -0.406 119.497 120.300 -0.661 0.000 2.689 634 Y HA 0.186 4.780 4.550 0.074 0.000 0.333 634 Y C 0.816 175.979 175.900 -1.228 0.000 1.190 634 Y CA -1.021 56.603 58.100 -0.793 0.000 1.063 634 Y CB 1.903 40.186 38.460 -0.295 0.000 1.294 634 Y HN 0.577 nan 8.280 nan 0.000 0.466 635 S N 0.959 115.712 115.700 -1.578 0.000 2.607 635 S HA 0.183 4.698 4.470 0.074 0.000 0.224 635 S C 0.133 174.400 174.600 -0.555 0.000 0.969 635 S CA 0.429 58.093 58.200 -0.894 0.000 0.927 635 S CB -0.311 62.571 63.200 -0.529 0.000 0.772 635 S HN 0.621 nan 8.310 nan 0.000 0.533 636 R N -1.510 118.715 120.500 -0.459 0.000 2.795 636 R HA 0.661 5.046 4.340 0.074 0.000 0.268 636 R C -0.864 175.412 176.300 -0.041 0.000 1.041 636 R CA -1.136 54.868 56.100 -0.161 0.000 0.927 636 R CB 0.515 30.774 30.300 -0.067 0.000 1.235 636 R HN -0.057 nan 8.270 nan 0.000 0.463 637 M N -0.056 119.535 119.600 -0.016 0.000 2.336 637 M HA 0.533 5.057 4.480 0.074 0.000 0.256 637 M C 0.947 177.265 176.300 0.029 0.000 1.176 637 M CA 0.792 56.094 55.300 0.003 0.000 0.948 637 M CB 0.758 33.351 32.600 -0.011 0.000 1.393 637 M HN 1.035 nan 8.290 nan 0.000 0.528 638 G N 1.027 109.837 108.800 0.016 0.000 2.578 638 G HA2 -0.136 3.869 3.960 0.074 0.000 0.232 638 G HA3 -0.136 3.869 3.960 0.074 0.000 0.232 638 G C -0.844 174.057 174.900 0.002 0.000 1.176 638 G CA -0.456 44.651 45.100 0.012 0.000 0.968 638 G HN 0.614 nan 8.290 nan 0.000 0.583 639 E N -0.822 119.373 120.200 -0.007 0.000 2.343 639 E HA 0.606 5.001 4.350 0.074 0.000 0.270 639 E C -0.445 176.105 176.600 -0.083 0.000 0.895 639 E CA -0.579 55.797 56.400 -0.040 0.000 0.767 639 E CB 2.919 32.599 29.700 -0.033 0.000 1.248 639 E HN 1.173 nan 8.360 nan 0.000 0.440 640 V N -1.472 118.356 119.914 -0.144 0.000 2.914 640 V HA 0.688 4.853 4.120 0.074 0.000 0.314 640 V C -0.434 175.580 176.094 -0.134 0.000 1.084 640 V CA -0.764 61.411 62.300 -0.208 0.000 0.963 640 V CB 1.887 33.443 31.823 -0.445 0.000 1.025 640 V HN 0.630 nan 8.190 nan 0.000 0.432 641 T N 2.905 117.395 114.554 -0.107 0.000 2.771 641 T HA 0.766 5.160 4.350 0.074 0.000 0.281 641 T C 0.422 175.080 174.700 -0.070 0.000 0.982 641 T CA 0.256 62.313 62.100 -0.071 0.000 0.978 641 T CB 1.389 70.228 68.868 -0.048 0.000 0.930 641 T HN 1.327 nan 8.240 nan 0.000 0.447 642 A N 2.424 125.209 122.820 -0.058 0.000 2.292 642 A HA 0.336 4.701 4.320 0.074 0.000 0.265 642 A C 1.579 179.141 177.584 -0.037 0.000 1.133 642 A CA -0.255 51.753 52.037 -0.049 0.000 0.807 642 A CB -0.001 18.974 19.000 -0.042 0.000 1.102 642 A HN 0.896 nan 8.150 nan 0.000 0.502 643 D N -0.436 119.946 120.400 -0.031 0.000 2.218 643 D HA -0.176 4.509 4.640 0.074 0.000 0.204 643 D C 0.620 176.908 176.300 -0.022 0.000 0.976 643 D CA 1.508 55.493 54.000 -0.024 0.000 0.853 643 D CB -0.269 40.518 40.800 -0.022 0.000 0.939 643 D HN 0.584 nan 8.370 nan 0.000 0.481 644 D N -1.357 119.030 120.400 -0.022 0.000 2.342 644 D HA 0.196 4.880 4.640 0.074 0.000 0.221 644 D C 1.604 177.894 176.300 -0.018 0.000 1.101 644 D CA 0.375 54.364 54.000 -0.018 0.000 0.837 644 D CB -0.030 40.760 40.800 -0.017 0.000 0.938 644 D HN 0.350 nan 8.370 nan 0.000 0.508 645 G N -0.103 108.685 108.800 -0.021 0.000 2.195 645 G HA2 -0.265 3.739 3.960 0.074 0.000 0.246 645 G HA3 -0.265 3.739 3.960 0.074 0.000 0.246 645 G C 0.444 175.331 174.900 -0.022 0.000 0.984 645 G CA 0.214 45.302 45.100 -0.020 0.000 0.633 645 G HN 0.431 nan 8.290 nan 0.000 0.525 646 T N 1.396 115.936 114.554 -0.023 0.000 2.867 646 T HA 0.393 4.787 4.350 0.074 0.000 0.297 646 T C 0.640 175.322 174.700 -0.031 0.000 0.989 646 T CA 0.255 62.341 62.100 -0.023 0.000 1.159 646 T CB 1.928 70.782 68.868 -0.022 0.000 0.928 646 T HN 0.480 nan 8.240 nan 0.000 0.538 647 V N 6.175 126.072 119.914 -0.027 0.000 2.385 647 V HA 0.279 4.444 4.120 0.074 0.000 0.269 647 V C 0.174 176.248 176.094 -0.034 0.000 1.043 647 V CA -0.489 61.791 62.300 -0.033 0.000 0.906 647 V CB 0.419 32.227 31.823 -0.024 0.000 0.995 647 V HN 0.673 nan 8.190 nan 0.000 0.467 648 L N 8.641 129.834 121.223 -0.049 0.000 2.276 648 L HA 0.457 4.841 4.340 0.074 0.000 0.286 648 L C -2.212 174.629 176.870 -0.049 0.000 1.024 648 L CA -1.739 53.073 54.840 -0.047 0.000 0.826 648 L CB 1.746 43.769 42.059 -0.061 0.000 1.211 648 L HN 0.416 nan 8.230 nan 0.000 0.422 649 P HA 0.174 nan 4.420 nan 0.000 0.275 649 P C -0.453 176.834 177.300 -0.021 0.000 1.227 649 P CA -0.048 63.039 63.100 -0.023 0.000 0.781 649 P CB 0.953 32.646 31.700 -0.011 0.000 0.906 650 I N 2.126 122.686 120.570 -0.017 0.000 2.352 650 I HA 0.168 4.383 4.170 0.074 0.000 0.290 650 I C 1.673 177.786 176.117 -0.006 0.000 1.036 650 I CA -0.395 60.899 61.300 -0.010 0.000 1.336 650 I CB 1.154 39.158 38.000 0.007 0.000 1.407 650 I HN 0.361 nan 8.210 nan 0.000 0.497 651 A N 5.372 128.191 122.820 -0.002 0.000 1.929 651 A HA 0.440 4.804 4.320 0.074 0.000 0.216 651 A C 1.042 178.629 177.584 0.004 0.000 1.176 651 A CA 1.450 53.490 52.037 0.007 0.000 0.628 651 A CB -0.057 18.955 19.000 0.019 0.000 0.816 651 A HN 0.886 nan 8.150 nan 0.000 0.444 652 A N -2.631 120.182 122.820 -0.010 0.000 2.522 652 A HA 0.542 4.907 4.320 0.074 0.000 0.291 652 A C -0.016 177.522 177.584 -0.077 0.000 1.039 652 A CA 0.037 52.063 52.037 -0.017 0.000 0.643 652 A CB -0.465 18.549 19.000 0.022 0.000 1.310 652 A HN 0.851 nan 8.150 nan 0.000 0.436 653 T N -1.601 112.900 114.554 -0.088 0.000 2.824 653 T HA 0.588 4.982 4.350 0.074 0.000 0.277 653 T C 0.968 175.603 174.700 -0.108 0.000 0.975 653 T CA 0.250 62.221 62.100 -0.215 0.000 0.966 653 T CB 0.076 68.850 68.868 -0.157 0.000 1.054 653 T HN 0.505 nan 8.240 nan 0.000 0.533 654 F N 0.310 120.275 119.950 0.026 0.000 2.134 654 F HA 0.046 4.618 4.527 0.074 0.000 0.299 654 F C 2.985 178.918 175.800 0.223 0.000 1.097 654 F CA 0.907 58.969 58.000 0.104 0.000 1.264 654 F CB -0.657 38.379 39.000 0.059 0.000 1.001 654 F HN 0.689 nan 8.300 nan 0.000 0.479 655 A N 0.399 123.385 122.820 0.276 0.000 1.898 655 A HA 0.041 4.405 4.320 0.074 0.000 0.214 655 A C 2.459 180.119 177.584 0.128 0.000 1.183 655 A CA 1.399 53.548 52.037 0.185 0.000 0.622 655 A CB -1.514 17.551 19.000 0.109 0.000 0.824 655 A HN 0.376 nan 8.150 nan 0.000 0.444 656 G N -0.683 108.171 108.800 0.089 0.000 2.432 656 G HA2 0.209 4.214 3.960 0.074 0.000 0.219 656 G HA3 0.209 4.214 3.960 0.074 0.000 0.219 656 G C 0.679 175.629 174.900 0.083 0.000 1.135 656 G CA 1.099 46.235 45.100 0.061 0.000 0.767 656 G HN 1.142 nan 8.290 nan 0.000 0.550 657 A N 1.032 123.936 122.820 0.140 0.000 2.893 657 A HA 0.669 5.033 4.320 0.074 0.000 0.333 657 A C -2.540 175.201 177.584 0.262 0.000 1.152 657 A CA -1.240 50.893 52.037 0.160 0.000 0.782 657 A CB 1.280 20.369 19.000 0.149 0.000 1.108 657 A HN 0.132 nan 8.150 nan 0.000 0.469 658 P HA 0.026 nan 4.420 nan 0.000 0.270 658 P C 1.306 178.431 177.300 -0.291 0.000 1.223 658 P CA 0.409 63.469 63.100 -0.066 0.000 0.785 658 P CB 0.866 32.512 31.700 -0.091 0.000 0.923 659 S N 1.611 116.738 115.700 -0.954 0.000 2.420 659 S HA -0.196 4.319 4.470 0.074 0.000 0.237 659 S C 1.907 176.348 174.600 -0.266 0.000 1.023 659 S CA 1.211 59.000 58.200 -0.684 0.000 0.991 659 S CB -1.391 61.348 63.200 -0.769 0.000 0.792 659 S HN 0.390 nan 8.310 nan 0.000 0.488 660 L N 1.726 122.802 121.223 -0.245 0.000 2.051 660 L HA -0.142 4.243 4.340 0.074 0.000 0.214 660 L C 3.086 179.777 176.870 -0.297 0.000 1.076 660 L CA 1.881 56.573 54.840 -0.247 0.000 0.758 660 L CB -1.673 40.220 42.059 -0.277 0.000 0.890 660 L HN 0.672 nan 8.230 nan 0.000 0.433 661 T N -2.907 111.527 114.554 -0.201 0.000 3.148 661 T HA 0.168 4.563 4.350 0.074 0.000 0.253 661 T C 0.445 175.217 174.700 0.119 0.000 1.134 661 T CA 0.248 62.302 62.100 -0.077 0.000 1.051 661 T CB -0.494 68.430 68.868 0.093 0.000 0.959 661 T HN 0.185 nan 8.240 nan 0.000 0.525 662 V N -2.551 117.404 119.914 0.069 0.000 3.158 662 V HA 0.581 4.745 4.120 0.074 0.000 0.315 662 V C -0.009 176.126 176.094 0.069 0.000 1.148 662 V CA -0.968 61.402 62.300 0.116 0.000 1.042 662 V CB 2.012 33.922 31.823 0.146 0.000 1.101 662 V HN 0.017 nan 8.190 nan 0.000 0.448 663 D N 0.657 121.101 120.400 0.073 0.000 2.389 663 D HA 0.534 5.218 4.640 0.074 0.000 0.206 663 D C 0.488 176.774 176.300 -0.025 0.000 1.055 663 D CA 1.354 55.372 54.000 0.030 0.000 0.856 663 D CB 1.559 42.400 40.800 0.069 0.000 0.957 663 D HN 0.979 nan 8.370 nan 0.000 0.509 664 A N 0.067 122.891 122.820 0.006 0.000 2.567 664 A HA 0.512 4.877 4.320 0.074 0.000 0.291 664 A C -1.674 175.928 177.584 0.030 0.000 1.048 664 A CA -0.553 51.474 52.037 -0.017 0.000 0.661 664 A CB 1.284 20.263 19.000 -0.035 0.000 1.288 664 A HN -0.105 nan 8.150 nan 0.000 0.424 665 V N 1.040 120.963 119.914 0.016 0.000 2.588 665 V HA 0.596 4.761 4.120 0.074 0.000 0.304 665 V C -0.687 175.415 176.094 0.015 0.000 1.042 665 V CA -0.243 62.081 62.300 0.041 0.000 0.877 665 V CB 1.595 33.460 31.823 0.070 0.000 0.996 665 V HN 0.688 nan 8.190 nan 0.000 0.425 666 I N 4.275 124.859 120.570 0.023 0.000 2.436 666 I HA 0.543 4.758 4.170 0.074 0.000 0.289 666 I C -0.889 175.250 176.117 0.037 0.000 1.010 666 I CA -0.917 60.419 61.300 0.059 0.000 1.098 666 I CB 2.243 40.304 38.000 0.101 0.000 1.266 666 I HN 0.279 nan 8.210 nan 0.000 0.434 667 V N 7.484 127.437 119.914 0.066 0.000 2.326 667 V HA 0.362 4.527 4.120 0.074 0.000 0.281 667 V C -2.222 173.921 176.094 0.082 0.000 1.015 667 V CA -1.631 60.695 62.300 0.042 0.000 0.823 667 V CB 1.217 33.036 31.823 -0.006 0.000 1.009 667 V HN 0.551 nan 8.190 nan 0.000 0.436 668 P HA 0.250 nan 4.420 nan 0.000 0.279 668 P C 0.087 177.394 177.300 0.012 0.000 1.252 668 P CA -0.387 62.720 63.100 0.012 0.000 0.811 668 P CB 1.235 32.940 31.700 0.007 0.000 1.035 669 C N 1.258 120.540 119.300 -0.029 0.000 2.705 669 C HA 0.695 5.200 4.460 0.074 0.000 0.365 669 C C 1.215 176.203 174.990 -0.002 0.000 1.353 669 C CA 1.680 60.689 59.018 -0.015 0.000 2.339 669 C CB -0.939 26.775 27.740 -0.043 0.000 2.576 669 C HN 0.903 nan 8.230 nan 0.000 0.716 670 G N 2.059 110.861 108.800 0.004 0.000 2.441 670 G HA2 0.092 4.097 3.960 0.074 0.000 0.222 670 G HA3 0.092 4.097 3.960 0.074 0.000 0.222 670 G C -1.089 173.818 174.900 0.012 0.000 1.254 670 G CA -0.172 44.930 45.100 0.004 0.000 0.959 670 G HN 0.848 nan 8.290 nan 0.000 0.474 671 N N 1.684 120.397 118.700 0.021 0.000 2.739 671 N HA 0.192 4.977 4.740 0.074 0.000 0.266 671 N C 1.572 177.110 175.510 0.047 0.000 1.168 671 N CA -0.485 52.581 53.050 0.026 0.000 1.055 671 N CB -0.124 38.380 38.487 0.029 0.000 1.393 671 N HN 0.350 nan 8.380 nan 0.000 0.514 672 I N 1.590 122.178 120.570 0.030 0.000 2.361 672 I HA -0.198 4.017 4.170 0.074 0.000 0.251 672 I C 2.065 178.185 176.117 0.004 0.000 1.133 672 I CA 0.685 62.004 61.300 0.031 0.000 1.413 672 I CB -1.604 36.384 38.000 -0.020 0.000 1.073 672 I HN 0.531 nan 8.210 nan 0.000 0.424 673 A N 0.582 123.396 122.820 -0.009 0.000 2.032 673 A HA -0.288 4.076 4.320 0.074 0.000 0.221 673 A C 2.084 179.688 177.584 0.033 0.000 1.165 673 A CA 2.135 54.166 52.037 -0.010 0.000 0.645 673 A CB -0.750 18.245 19.000 -0.009 0.000 0.807 673 A HN 0.431 nan 8.150 nan 0.000 0.453 674 D N 0.134 120.580 120.400 0.077 0.000 2.144 674 D HA -0.126 4.558 4.640 0.074 0.000 0.199 674 D C 1.554 177.947 176.300 0.155 0.000 0.984 674 D CA 1.692 55.767 54.000 0.126 0.000 0.834 674 D CB -0.172 40.739 40.800 0.184 0.000 0.955 674 D HN 0.658 nan 8.370 nan 0.000 0.465 675 I N -4.067 116.611 120.570 0.180 0.000 4.227 675 I HA 0.473 4.687 4.170 0.074 0.000 0.334 675 I C 1.948 178.193 176.117 0.212 0.000 1.341 675 I CA -0.067 61.367 61.300 0.224 0.000 1.123 675 I CB 0.084 38.269 38.000 0.309 0.000 1.097 675 I HN -0.111 nan 8.210 nan 0.000 0.399 676 A N 1.876 124.724 122.820 0.046 0.000 1.948 676 A HA -0.201 4.164 4.320 0.074 0.000 0.220 676 A C 1.590 179.138 177.584 -0.059 0.000 1.177 676 A CA 2.257 54.180 52.037 -0.190 0.000 0.636 676 A CB -0.578 18.263 19.000 -0.265 0.000 0.815 676 A HN 0.559 nan 8.150 nan 0.000 0.449 677 D N -0.543 119.860 120.400 0.004 0.000 2.388 677 D HA 0.031 4.716 4.640 0.074 0.000 0.221 677 D C -0.072 176.260 176.300 0.053 0.000 1.133 677 D CA -0.206 53.806 54.000 0.019 0.000 0.831 677 D CB -0.294 40.508 40.800 0.002 0.000 0.962 677 D HN 0.366 nan 8.370 nan 0.000 0.502 678 N N 1.234 119.986 118.700 0.086 0.000 2.420 678 N HA 0.025 4.809 4.740 0.074 0.000 0.262 678 N C 1.379 176.932 175.510 0.072 0.000 1.144 678 N CA -0.029 53.071 53.050 0.082 0.000 0.952 678 N CB 1.443 39.992 38.487 0.103 0.000 1.081 678 N HN 0.012 nan 8.380 nan 0.000 0.480 679 G N 3.701 112.541 108.800 0.067 0.000 2.491 679 G HA2 -0.294 3.711 3.960 0.074 0.000 0.218 679 G HA3 -0.294 3.711 3.960 0.074 0.000 0.218 679 G C 0.966 175.924 174.900 0.096 0.000 1.180 679 G CA 0.759 45.902 45.100 0.070 0.000 0.774 679 G HN 0.596 nan 8.290 nan 0.000 0.562 680 D N 0.975 121.443 120.400 0.112 0.000 2.104 680 D HA -0.033 4.652 4.640 0.074 0.000 0.194 680 D C 2.824 179.143 176.300 0.032 0.000 0.994 680 D CA 1.332 55.434 54.000 0.170 0.000 0.830 680 D CB -0.638 40.324 40.800 0.269 0.000 0.959 680 D HN 0.316 nan 8.370 nan 0.000 0.452 681 A N 1.170 123.826 122.820 -0.273 0.000 1.883 681 A HA -0.232 4.133 4.320 0.074 0.000 0.217 681 A C 2.015 179.391 177.584 -0.348 0.000 1.186 681 A CA 1.572 53.184 52.037 -0.709 0.000 0.624 681 A CB -0.639 17.909 19.000 -0.753 0.000 0.822 681 A HN 0.197 nan 8.150 nan 0.000 0.444 682 N N -1.708 116.941 118.700 -0.085 0.000 2.084 682 N HA -0.195 4.589 4.740 0.074 0.000 0.190 682 N C 1.766 177.264 175.510 -0.019 0.000 1.030 682 N CA 1.833 54.888 53.050 0.008 0.000 0.849 682 N CB -0.428 38.136 38.487 0.128 0.000 1.012 682 N HN 0.679 nan 8.380 nan 0.000 0.423 683 Y N 0.792 121.066 120.300 -0.044 0.000 2.224 683 Y HA -0.285 4.309 4.550 0.074 0.000 0.289 683 Y C 2.391 178.261 175.900 -0.051 0.000 1.146 683 Y CA 1.328 59.403 58.100 -0.042 0.000 1.182 683 Y CB -0.400 38.044 38.460 -0.026 0.000 0.983 683 Y HN 0.044 nan 8.280 nan 0.000 0.524 684 Y N 0.337 120.486 120.300 -0.252 0.000 2.081 684 Y HA -0.356 4.238 4.550 0.074 0.000 0.280 684 Y C 2.179 177.874 175.900 -0.342 0.000 1.163 684 Y CA 2.322 60.254 58.100 -0.280 0.000 1.135 684 Y CB -0.539 37.768 38.460 -0.255 0.000 0.970 684 Y HN 0.112 nan 8.280 nan 0.000 0.498 685 L N -1.064 120.081 121.223 -0.130 0.000 2.056 685 L HA -0.277 4.108 4.340 0.074 0.000 0.207 685 L C 2.413 179.161 176.870 -0.202 0.000 1.078 685 L CA 1.538 56.283 54.840 -0.157 0.000 0.749 685 L CB -0.563 41.369 42.059 -0.211 0.000 0.901 685 L HN 0.312 nan 8.230 nan 0.000 0.433 686 M N -0.605 118.821 119.600 -0.289 0.000 2.117 686 M HA -0.229 4.295 4.480 0.074 0.000 0.262 686 M C 2.252 178.318 176.300 -0.390 0.000 1.065 686 M CA 1.710 56.839 55.300 -0.284 0.000 1.114 686 M CB -0.427 32.020 32.600 -0.256 0.000 1.361 686 M HN 0.205 nan 8.290 nan 0.000 0.408 687 E N 0.577 120.358 120.200 -0.699 0.000 2.051 687 E HA -0.198 4.197 4.350 0.074 0.000 0.192 687 E C 2.040 178.316 176.600 -0.541 0.000 0.991 687 E CA 1.361 57.334 56.400 -0.711 0.000 0.799 687 E CB 0.004 29.239 29.700 -0.775 0.000 0.748 687 E HN 0.483 nan 8.360 nan 0.000 0.449 688 A N 0.359 122.963 122.820 -0.360 0.000 1.902 688 A HA -0.221 4.144 4.320 0.074 0.000 0.217 688 A C 2.053 179.544 177.584 -0.154 0.000 1.181 688 A CA 1.568 53.481 52.037 -0.207 0.000 0.623 688 A CB -0.997 17.931 19.000 -0.120 0.000 0.818 688 A HN 0.550 nan 8.150 nan 0.000 0.443 689 Y N 0.583 120.737 120.300 -0.243 0.000 2.097 689 Y HA -0.251 4.343 4.550 0.075 0.000 0.282 689 Y C 2.436 178.219 175.900 -0.196 0.000 1.152 689 Y CA 2.461 60.444 58.100 -0.194 0.000 1.136 689 Y CB -0.264 38.096 38.460 -0.167 0.000 0.975 689 Y HN 0.325 nan 8.280 nan 0.000 0.498 690 K N -0.640 119.653 120.400 -0.179 0.000 2.063 690 K HA -0.234 4.130 4.320 0.074 0.000 0.208 690 K C 1.216 177.679 176.600 -0.228 0.000 1.048 690 K CA 2.061 58.202 56.287 -0.243 0.000 0.928 690 K CB -0.463 31.835 32.500 -0.336 0.000 0.713 690 K HN 0.590 nan 8.250 nan 0.000 0.442 691 H N 0.417 119.377 119.070 -0.184 0.000 2.566 691 H HA 0.153 4.753 4.556 0.075 0.000 0.280 691 H C -0.009 175.163 175.328 -0.259 0.000 1.042 691 H CA 0.198 56.130 56.048 -0.194 0.000 1.168 691 H CB -0.015 29.630 29.762 -0.195 0.000 1.340 691 H HN 0.138 nan 8.280 nan 0.000 0.597 692 L N -0.049 121.032 121.223 -0.236 0.000 4.040 692 L HA -0.285 4.100 4.340 0.074 0.000 0.410 692 L C -0.304 176.316 176.870 -0.416 0.000 1.187 692 L CA 0.613 55.227 54.840 -0.377 0.000 0.956 692 L CB -1.655 40.173 42.059 -0.385 0.000 2.022 692 L HN 0.324 nan 8.230 nan 0.000 0.897 693 K N 0.747 120.967 120.400 -0.300 0.000 2.143 693 K HA 0.463 4.828 4.320 0.074 0.000 0.272 693 K C -2.148 174.324 176.600 -0.214 0.000 1.001 693 K CA -1.811 54.321 56.287 -0.260 0.000 0.915 693 K CB 0.776 33.176 32.500 -0.167 0.000 1.047 693 K HN -0.213 nan 8.250 nan 0.000 0.458 694 P HA 0.046 nan 4.420 nan 0.000 0.267 694 P C -0.781 176.458 177.300 -0.101 0.000 1.205 694 P CA 0.427 63.431 63.100 -0.159 0.000 0.765 694 P CB 0.404 32.007 31.700 -0.162 0.000 0.828 695 I N 2.091 122.616 120.570 -0.076 0.000 2.545 695 I HA 0.645 4.860 4.170 0.074 0.000 0.292 695 I C -0.243 175.837 176.117 -0.061 0.000 1.040 695 I CA -0.937 60.339 61.300 -0.041 0.000 1.068 695 I CB 2.262 40.263 38.000 0.003 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.555 130.354 122.820 -0.035 0.000 2.343 696 A HA 0.864 5.229 4.320 0.074 0.000 0.308 696 A C -1.101 176.617 177.584 0.225 0.000 1.092 696 A CA -0.431 51.589 52.037 -0.030 0.000 0.751 696 A CB 0.992 19.881 19.000 -0.185 0.000 1.203 696 A HN 0.664 nan 8.150 nan 0.000 0.452 697 L N 2.237 123.661 121.223 0.334 0.000 2.349 697 L HA 0.733 5.118 4.340 0.074 0.000 0.278 697 L C 0.233 177.287 176.870 0.306 0.000 0.996 697 L CA -0.584 54.428 54.840 0.287 0.000 0.825 697 L CB 1.997 44.167 42.059 0.185 0.000 1.243 697 L HN 0.773 nan 8.230 nan 0.000 0.412 698 A N 2.284 125.166 122.820 0.102 0.000 2.304 698 A HA 0.826 5.190 4.320 0.074 0.000 0.323 698 A C 0.698 178.243 177.584 -0.064 0.000 1.195 698 A CA 0.287 52.235 52.037 -0.148 0.000 0.826 698 A CB 1.174 19.944 19.000 -0.383 0.000 1.184 698 A HN 0.985 nan 8.150 nan 0.000 0.496 699 G N 2.305 111.061 108.800 -0.074 0.000 2.660 699 G HA2 -0.382 3.623 3.960 0.074 0.000 0.321 699 G HA3 -0.382 3.623 3.960 0.074 0.000 0.321 699 G C 0.571 175.463 174.900 -0.013 0.000 1.246 699 G CA 1.080 46.153 45.100 -0.044 0.000 1.000 699 G HN 0.708 nan 8.290 nan 0.000 0.550 700 D N 1.353 121.743 120.400 -0.016 0.000 2.309 700 D HA 0.222 4.907 4.640 0.074 0.000 0.212 700 D C 2.603 178.900 176.300 -0.005 0.000 0.968 700 D CA 1.661 55.649 54.000 -0.021 0.000 0.882 700 D CB -0.657 40.124 40.800 -0.031 0.000 0.918 700 D HN 0.784 nan 8.370 nan 0.000 0.503 701 A N 0.559 123.415 122.820 0.059 0.000 2.076 701 A HA -0.188 4.177 4.320 0.074 0.000 0.220 701 A C 2.064 179.759 177.584 0.185 0.000 1.160 701 A CA 0.906 53.053 52.037 0.183 0.000 0.653 701 A CB -0.405 18.713 19.000 0.197 0.000 0.801 701 A HN 0.129 nan 8.150 nan 0.000 0.455 702 R N -0.489 120.066 120.500 0.092 0.000 2.200 702 R HA -0.101 4.284 4.340 0.074 0.000 0.234 702 R C 1.482 177.802 176.300 0.033 0.000 1.127 702 R CA 1.067 57.212 56.100 0.074 0.000 0.989 702 R CB -0.091 30.238 30.300 0.048 0.000 0.869 702 R HN 0.244 nan 8.270 nan 0.000 0.459 703 K N -0.055 120.322 120.400 -0.037 0.000 2.280 703 K HA -0.115 4.250 4.320 0.074 0.000 0.202 703 K C 1.458 177.962 176.600 -0.161 0.000 1.047 703 K CA 1.181 57.393 56.287 -0.126 0.000 0.942 703 K CB -0.216 32.157 32.500 -0.212 0.000 0.739 703 K HN 0.236 nan 8.250 nan 0.000 0.457 704 F N 1.205 121.131 119.950 -0.040 0.000 2.699 704 F HA -0.037 4.535 4.527 0.075 0.000 0.298 704 F C 1.898 177.652 175.800 -0.076 0.000 1.154 704 F CA 0.588 58.553 58.000 -0.058 0.000 1.457 704 F CB 0.000 38.964 39.000 -0.061 0.000 1.106 704 F HN -0.028 nan 8.300 nan 0.000 0.585 705 K N 0.338 120.787 120.400 0.081 0.000 2.152 705 K HA -0.194 4.171 4.320 0.074 0.000 0.206 705 K C 2.314 178.889 176.600 -0.041 0.000 1.048 705 K CA 1.169 57.458 56.287 0.002 0.000 0.933 705 K CB -0.350 32.148 32.500 -0.004 0.000 0.721 705 K HN 0.264 nan 8.250 nan 0.000 0.447 706 A N 0.736 123.537 122.820 -0.032 0.000 1.972 706 A HA -0.148 4.217 4.320 0.074 0.000 0.219 706 A C 2.143 179.700 177.584 -0.046 0.000 1.169 706 A CA 1.869 53.879 52.037 -0.044 0.000 0.635 706 A CB -0.823 18.150 19.000 -0.045 0.000 0.810 706 A HN 0.238 nan 8.150 nan 0.000 0.446 707 T N 0.804 115.349 114.554 -0.015 0.000 2.720 707 T HA -0.126 4.269 4.350 0.074 0.000 0.268 707 T C 1.353 175.996 174.700 -0.094 0.000 1.037 707 T CA 1.642 63.736 62.100 -0.010 0.000 1.144 707 T CB -0.491 68.424 68.868 0.079 0.000 0.864 707 T HN 0.705 nan 8.240 nan 0.000 0.444 708 I N -1.590 118.869 120.570 -0.186 0.000 3.856 708 I HA 0.420 4.635 4.170 0.074 0.000 0.333 708 I C -0.338 175.540 176.117 -0.398 0.000 1.525 708 I CA -0.616 60.441 61.300 -0.404 0.000 1.173 708 I CB -0.416 37.147 38.000 -0.728 0.000 1.175 708 I HN -0.063 nan 8.210 nan 0.000 0.424 709 K N 2.098 122.377 120.400 -0.202 0.000 3.834 709 K HA -0.133 4.232 4.320 0.074 0.000 0.276 709 K C -0.493 176.028 176.600 -0.131 0.000 0.850 709 K CA 0.589 56.797 56.287 -0.132 0.000 0.704 709 K CB -1.093 31.354 32.500 -0.089 0.000 1.644 709 K HN 0.567 nan 8.250 nan 0.000 0.440 710 I N 1.149 121.646 120.570 -0.121 0.000 2.377 710 I HA 0.250 4.465 4.170 0.074 0.000 0.293 710 I C 0.790 176.888 176.117 -0.032 0.000 0.987 710 I CA -0.603 60.653 61.300 -0.073 0.000 1.185 710 I CB 1.552 39.503 38.000 -0.083 0.000 1.341 710 I HN 0.366 nan 8.210 nan 0.000 0.455 711 A N 4.736 127.549 122.820 -0.011 0.000 2.520 711 A HA -0.010 4.355 4.320 0.074 0.000 0.235 711 A C 1.102 178.684 177.584 -0.003 0.000 1.065 711 A CA -0.041 51.994 52.037 -0.005 0.000 0.764 711 A CB 0.087 19.090 19.000 0.004 0.000 1.002 711 A HN 0.833 nan 8.150 nan 0.000 0.502 712 D N 0.456 120.854 120.400 -0.004 0.000 2.133 712 D HA -0.173 4.511 4.640 0.074 0.000 0.195 712 D C 1.917 178.219 176.300 0.004 0.000 0.997 712 D CA 1.801 55.800 54.000 -0.001 0.000 0.840 712 D CB 0.027 40.826 40.800 -0.002 0.000 0.947 712 D HN 0.611 nan 8.370 nan 0.000 0.452 713 Q N 0.078 119.881 119.800 0.005 0.000 1.921 713 Q HA 0.068 4.453 4.340 0.074 0.000 0.208 713 Q C 1.429 177.436 176.000 0.011 0.000 0.994 713 Q CA 1.458 57.266 55.803 0.008 0.000 0.857 713 Q CB -0.588 28.154 28.738 0.007 0.000 0.925 713 Q HN 0.350 nan 8.270 nan 0.000 0.421 714 G N -0.526 108.281 108.800 0.011 0.000 2.315 714 G HA2 0.338 4.342 3.960 0.074 0.000 0.294 714 G HA3 0.338 4.342 3.960 0.074 0.000 0.294 714 G C -1.884 173.025 174.900 0.015 0.000 1.300 714 G CA -0.238 44.870 45.100 0.013 0.000 0.843 714 G HN 0.180 nan 8.290 nan 0.000 0.527 715 E N -0.108 120.101 120.200 0.016 0.000 2.321 715 E HA 0.410 4.805 4.350 0.074 0.000 0.281 715 E C -0.828 175.774 176.600 0.003 0.000 0.910 715 E CA -0.589 55.823 56.400 0.020 0.000 0.770 715 E CB 1.794 31.523 29.700 0.049 0.000 1.225 715 E HN 0.470 nan 8.360 nan 0.000 0.417 716 E N 1.817 122.009 120.200 -0.012 0.000 2.694 716 E HA 0.152 4.547 4.350 0.074 0.000 0.250 716 E C 0.720 177.286 176.600 -0.057 0.000 0.963 716 E CA 1.864 58.242 56.400 -0.037 0.000 0.949 716 E CB 0.333 30.010 29.700 -0.039 0.000 0.911 716 E HN 0.844 nan 8.360 nan 0.000 0.500 717 G N 3.297 112.050 108.800 -0.078 0.000 2.231 717 G HA2 -0.182 3.823 3.960 0.074 0.000 0.206 717 G HA3 -0.182 3.823 3.960 0.074 0.000 0.206 717 G C -0.013 174.844 174.900 -0.072 0.000 0.996 717 G CA -0.519 44.518 45.100 -0.106 0.000 0.645 717 G HN 0.420 nan 8.290 nan 0.000 0.498 718 I N 2.029 122.577 120.570 -0.037 0.000 2.410 718 I HA 0.505 4.719 4.170 0.074 0.000 0.286 718 I C 0.199 176.282 176.117 -0.057 0.000 1.009 718 I CA -1.146 60.142 61.300 -0.021 0.000 1.111 718 I CB 1.385 39.402 38.000 0.029 0.000 1.262 718 I HN -0.115 nan 8.210 nan 0.000 0.443 719 V N 7.235 127.076 119.914 -0.121 0.000 2.407 719 V HA 0.401 4.565 4.120 0.074 0.000 0.278 719 V C 0.236 176.289 176.094 -0.067 0.000 1.037 719 V CA -0.428 61.751 62.300 -0.202 0.000 0.900 719 V CB 1.434 32.963 31.823 -0.489 0.000 0.983 719 V HN 0.865 nan 8.190 nan 0.000 0.459 720 E N 4.347 124.597 120.200 0.082 0.000 2.383 720 E HA 0.915 5.310 4.350 0.074 0.000 0.275 720 E C -0.948 175.835 176.600 0.305 0.000 0.918 720 E CA -1.039 55.515 56.400 0.257 0.000 0.764 720 E CB 2.750 32.530 29.700 0.133 0.000 1.252 720 E HN 0.806 nan 8.360 nan 0.000 0.449 721 A N 1.554 124.541 122.820 0.278 0.000 2.544 721 A HA 0.275 4.640 4.320 0.074 0.000 0.291 721 A C -0.447 177.140 177.584 0.005 0.000 1.055 721 A CA -0.574 51.549 52.037 0.143 0.000 0.651 721 A CB 0.961 20.088 19.000 0.211 0.000 1.296 721 A HN 0.629 nan 8.150 nan 0.000 0.431 722 D N 0.504 120.893 120.400 -0.018 0.000 2.149 722 D HA -0.020 4.665 4.640 0.074 0.000 0.198 722 D C 1.096 177.329 176.300 -0.111 0.000 0.990 722 D CA 2.469 56.440 54.000 -0.048 0.000 0.839 722 D CB 0.020 40.800 40.800 -0.033 0.000 0.948 722 D HN 0.904 nan 8.370 nan 0.000 0.460 723 S N -1.673 113.919 115.700 -0.179 0.000 2.625 723 S HA 0.659 5.174 4.470 0.074 0.000 0.271 723 S C -1.048 173.234 174.600 -0.530 0.000 1.161 723 S CA -0.866 57.167 58.200 -0.278 0.000 0.820 723 S CB 2.119 65.221 63.200 -0.163 0.000 1.137 723 S HN 0.059 nan 8.310 nan 0.000 0.470 724 A N 1.581 124.042 122.820 -0.599 0.000 2.396 724 A HA 0.615 4.979 4.320 0.074 0.000 0.279 724 A C -0.009 177.448 177.584 -0.212 0.000 1.165 724 A CA -0.002 51.598 52.037 -0.728 0.000 0.824 724 A CB -1.005 17.719 19.000 -0.460 0.000 1.100 724 A HN 0.938 nan 8.150 nan 0.000 0.516 725 D N 1.376 121.767 120.400 -0.016 0.000 2.898 725 D HA 0.533 5.217 4.640 0.074 0.000 0.266 725 D C 1.180 177.550 176.300 0.117 0.000 1.173 725 D CA 0.176 54.204 54.000 0.047 0.000 1.078 725 D CB -0.007 40.810 40.800 0.028 0.000 1.326 725 D HN 0.233 nan 8.370 nan 0.000 0.622 726 G N -0.643 108.204 108.800 0.077 0.000 2.404 726 G HA2 -0.198 3.806 3.960 0.074 0.000 0.215 726 G HA3 -0.198 3.806 3.960 0.074 0.000 0.215 726 G C 1.475 176.421 174.900 0.077 0.000 1.174 726 G CA 1.194 46.333 45.100 0.066 0.000 0.780 726 G HN 0.433 nan 8.290 nan 0.000 0.537 727 S N -0.500 115.252 115.700 0.085 0.000 2.368 727 S HA -0.054 4.461 4.470 0.074 0.000 0.224 727 S C 2.024 176.685 174.600 0.102 0.000 1.029 727 S CA 1.108 59.354 58.200 0.075 0.000 0.988 727 S CB -0.420 62.819 63.200 0.066 0.000 0.838 727 S HN 0.337 nan 8.310 nan 0.000 0.462 728 F N 2.034 121.982 119.950 -0.003 0.000 2.043 728 F HA -0.190 4.381 4.527 0.074 0.000 0.297 728 F C 2.257 178.053 175.800 -0.006 0.000 1.121 728 F CA 2.033 60.031 58.000 -0.004 0.000 1.199 728 F CB -0.223 38.776 39.000 -0.002 0.000 0.968 728 F HN 0.216 nan 8.300 nan 0.000 0.478 729 M N 0.017 119.717 119.600 0.166 0.000 2.175 729 M HA -0.186 4.338 4.480 0.074 0.000 0.264 729 M C 1.818 178.105 176.300 -0.021 0.000 1.063 729 M CA 1.390 56.723 55.300 0.055 0.000 1.119 729 M CB -1.371 31.292 32.600 0.105 0.000 1.377 729 M HN 0.167 nan 8.290 nan 0.000 0.415 730 D N 0.606 121.003 120.400 -0.005 0.000 2.092 730 D HA -0.164 4.521 4.640 0.074 0.000 0.193 730 D C 1.954 178.221 176.300 -0.054 0.000 0.994 730 D CA 1.239 55.227 54.000 -0.020 0.000 0.828 730 D CB -0.286 40.512 40.800 -0.005 0.000 0.963 730 D HN 0.476 nan 8.370 nan 0.000 0.450 731 E N 0.468 120.620 120.200 -0.079 0.000 2.070 731 E HA -0.169 4.225 4.350 0.074 0.000 0.197 731 E C 2.188 178.700 176.600 -0.146 0.000 1.004 731 E CA 0.390 56.722 56.400 -0.113 0.000 0.805 731 E CB -0.141 29.469 29.700 -0.149 0.000 0.744 731 E HN 0.189 nan 8.360 nan 0.000 0.451 732 L N 0.964 122.066 121.223 -0.200 0.000 2.046 732 L HA -0.168 4.217 4.340 0.074 0.000 0.208 732 L C 2.236 179.035 176.870 -0.117 0.000 1.077 732 L CA 1.480 56.203 54.840 -0.196 0.000 0.747 732 L CB -0.394 41.516 42.059 -0.248 0.000 0.896 732 L HN 0.227 nan 8.230 nan 0.000 0.432 733 L N -0.758 120.414 121.223 -0.084 0.000 2.141 733 L HA -0.180 4.205 4.340 0.074 0.000 0.209 733 L C 2.455 179.298 176.870 -0.045 0.000 1.094 733 L CA 1.273 56.082 54.840 -0.052 0.000 0.763 733 L CB -0.589 41.450 42.059 -0.034 0.000 0.908 733 L HN 0.242 nan 8.230 nan 0.000 0.437 734 T N 0.096 114.620 114.554 -0.050 0.000 2.737 734 T HA -0.132 4.262 4.350 0.074 0.000 0.265 734 T C 1.970 176.639 174.700 -0.052 0.000 1.038 734 T CA 1.089 63.166 62.100 -0.039 0.000 1.144 734 T CB -0.178 68.666 68.868 -0.039 0.000 0.866 734 T HN 0.168 nan 8.240 nan 0.000 0.434 735 L N 0.425 121.599 121.223 -0.082 0.000 2.012 735 L HA -0.143 4.242 4.340 0.074 0.000 0.210 735 L C 2.679 179.484 176.870 -0.108 0.000 1.073 735 L CA 1.507 56.279 54.840 -0.112 0.000 0.748 735 L CB -0.525 41.448 42.059 -0.142 0.000 0.891 735 L HN 0.348 nan 8.230 nan 0.000 0.431 736 M N -0.985 118.566 119.600 -0.081 0.000 2.229 736 M HA -0.151 4.374 4.480 0.074 0.000 0.264 736 M C 2.409 178.709 176.300 -0.001 0.000 1.063 736 M CA 1.580 56.849 55.300 -0.052 0.000 1.114 736 M CB -0.471 32.109 32.600 -0.032 0.000 1.387 736 M HN 0.296 nan 8.290 nan 0.000 0.420 737 A N 0.390 123.211 122.820 0.002 0.000 2.019 737 A HA 0.051 4.416 4.320 0.074 0.000 0.219 737 A C 2.187 179.809 177.584 0.062 0.000 1.164 737 A CA 1.666 53.724 52.037 0.035 0.000 0.644 737 A CB -0.631 18.382 19.000 0.022 0.000 0.805 737 A HN 0.495 nan 8.150 nan 0.000 0.449 738 A N -2.527 120.307 122.820 0.023 0.000 2.251 738 A HA 0.327 4.691 4.320 0.074 0.000 0.209 738 A C 0.973 178.577 177.584 0.033 0.000 1.187 738 A CA 1.300 53.360 52.037 0.038 0.000 0.823 738 A CB -0.519 18.461 19.000 -0.032 0.000 0.846 738 A HN 0.978 nan 8.150 nan 0.000 0.486 739 H N -1.352 117.656 119.070 -0.103 0.000 4.955 739 H HA -0.199 4.402 4.556 0.075 0.000 0.059 739 H C 0.144 175.253 175.328 -0.365 0.000 0.580 739 H CA 2.419 58.386 56.048 -0.135 0.000 0.969 739 H CB -0.573 29.216 29.762 0.045 0.000 0.469 739 H HN 0.461 nan 8.280 nan 0.000 0.792 740 R N -0.298 119.620 120.500 -0.971 0.000 2.867 740 R HA 0.627 5.011 4.340 0.074 0.000 0.268 740 R C -0.639 174.859 176.300 -1.336 0.000 1.014 740 R CA -0.317 54.982 56.100 -1.336 0.000 0.946 740 R CB 1.691 30.836 30.300 -1.926 0.000 1.208 740 R HN 0.076 nan 8.270 nan 0.000 0.477 741 V N 2.177 121.511 119.914 -0.967 0.000 2.221 741 V HA 0.128 4.292 4.120 0.074 0.000 0.258 741 V C 0.673 176.419 176.094 -0.580 0.000 1.179 741 V CA -0.481 61.426 62.300 -0.656 0.000 1.022 741 V CB -0.147 31.421 31.823 -0.425 0.000 1.228 741 V HN 0.718 nan 8.190 nan 0.000 0.487 742 W N 1.635 122.665 121.300 -0.450 0.000 2.374 742 W HA -0.180 4.525 4.660 0.074 0.000 0.288 742 W C 2.571 178.876 176.519 -0.357 0.000 1.218 742 W CA 0.906 57.889 57.345 -0.603 0.000 1.245 742 W CB -0.324 28.393 29.460 -1.238 0.000 1.126 742 W HN 0.653 nan 8.180 nan 0.000 0.545 743 S N 0.813 116.472 115.700 -0.067 0.000 2.500 743 S HA -0.160 4.355 4.470 0.074 0.000 0.239 743 S C 1.716 176.280 174.600 -0.059 0.000 0.989 743 S CA 0.935 59.111 58.200 -0.040 0.000 0.951 743 S CB -0.389 62.788 63.200 -0.040 0.000 0.759 743 S HN 0.391 nan 8.310 nan 0.000 0.523 744 R N 0.396 120.824 120.500 -0.121 0.000 2.276 744 R HA 0.278 4.663 4.340 0.074 0.000 0.196 744 R C 1.780 178.017 176.300 -0.105 0.000 0.961 744 R CA 0.328 56.335 56.100 -0.155 0.000 1.024 744 R CB -0.338 29.762 30.300 -0.334 0.000 0.940 744 R HN 0.482 nan 8.270 nan 0.000 0.480 745 I N 2.166 122.714 120.570 -0.037 0.000 2.113 745 I HA -0.275 3.939 4.170 0.074 0.000 0.242 745 I C -0.747 175.395 176.117 0.043 0.000 1.057 745 I CA 1.614 62.936 61.300 0.036 0.000 1.314 745 I CB -0.918 37.150 38.000 0.113 0.000 1.022 745 I HN 0.186 nan 8.210 nan 0.000 0.408 746 P HA -0.151 nan 4.420 nan 0.000 0.222 746 P C 1.005 178.333 177.300 0.048 0.000 1.147 746 P CA 1.492 64.621 63.100 0.048 0.000 0.790 746 P CB -0.121 31.606 31.700 0.044 0.000 0.780 747 K N -0.401 120.024 120.400 0.041 0.000 2.426 747 K HA 0.111 4.476 4.320 0.074 0.000 0.193 747 K C 1.939 178.605 176.600 0.109 0.000 1.028 747 K CA 0.392 56.728 56.287 0.081 0.000 1.047 747 K CB -0.327 32.245 32.500 0.119 0.000 0.821 747 K HN 0.289 nan 8.250 nan 0.000 0.513 748 I N -1.973 118.631 120.570 0.058 0.000 3.030 748 I HA 0.010 4.224 4.170 0.074 0.000 0.270 748 I C 0.892 177.052 176.117 0.072 0.000 1.211 748 I CA 0.905 62.244 61.300 0.064 0.000 1.479 748 I CB 0.171 38.158 38.000 -0.021 0.000 1.105 748 I HN -0.109 nan 8.210 nan 0.000 0.447 749 D N 1.902 122.345 120.400 0.071 0.000 2.378 749 D HA -0.104 4.581 4.640 0.074 0.000 0.227 749 D C 1.768 178.107 176.300 0.066 0.000 1.012 749 D CA 0.511 54.554 54.000 0.072 0.000 0.905 749 D CB 0.106 40.953 40.800 0.079 0.000 0.895 749 D HN 0.502 nan 8.370 nan 0.000 0.532 750 K N 1.325 121.764 120.400 0.065 0.000 2.214 750 K HA -0.019 4.346 4.320 0.074 0.000 0.201 750 K C 0.818 177.450 176.600 0.052 0.000 1.049 750 K CA -0.063 56.257 56.287 0.055 0.000 0.978 750 K CB 0.252 32.781 32.500 0.049 0.000 0.842 750 K HN 0.081 nan 8.250 nan 0.000 0.474 751 I N 3.086 123.693 120.570 0.062 0.000 2.752 751 I HA 0.074 4.288 4.170 0.074 0.000 0.286 751 I C -2.407 173.740 176.117 0.051 0.000 1.180 751 I CA -1.546 59.785 61.300 0.053 0.000 1.404 751 I CB -0.295 37.744 38.000 0.065 0.000 1.389 751 I HN -0.055 nan 8.210 nan 0.000 0.549 752 P HA 0.482 nan 4.420 nan 0.000 0.273 752 P C -0.532 176.817 177.300 0.081 0.000 1.428 752 P CA 0.017 63.151 63.100 0.056 0.000 0.995 752 P CB 0.756 32.484 31.700 0.047 0.000 1.286 753 A N 0.000 122.869 122.820 0.082 0.000 2.254 753 A HA 0.000 4.365 4.320 0.074 0.000 0.244 753 A CA 0.000 52.116 52.037 0.132 0.000 0.836 753 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486