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 2hr7_1_A DATA FIRST_RESID 4 DATA SEQUENCE PGEVCPGMDI RNNLTRLHEL ENCSVIEGHL QILLMFKTRP EDFRDLSFPK DATA SEQUENCE LIMITDYLLL FRVYGLESLK DLFPNLTVIR GSRLFFNYAL VIFEMVHLKE DATA SEQUENCE LGLYNLMNIT RGSVRIEKNN ELcYLATIDW SRILDSVEDN HIVLNKDDNE DATA SEQUENCE EcGDIcPGTA KGKTNcPATV INGQFVERcW THSHcQKVcP TIcKSHGcTA DATA SEQUENCE EGLccHSECL GNcSQPDDPT KCVAcRNFYL DGRcVETcPP PYYHFQDWRc DATA SEQUENCE VNFSFcQDLH HKcKNSRRQG cHQYVIHNNK cIPEcPSGYT MNSSNLLcTP DATA SEQUENCE cLGPcPKVCH LLEGEKTIDS VTSAQELRGC TVINGSLIIN IRGGNNLAAE DATA SEQUENCE LEANLGLIEE ISGYLKIRRS YALVSLSFFR KLRLIRGETL EIGNYSFYAL DATA SEQUENCE DNQNLRQLWD WSKHNLTITQ GKLFFHYNPK LcLSEIHKME EVSGTKGRQE DATA SEQUENCE RNDIALKTNG DKAScE 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.307 177.300 0.012 0.000 1.155 4 P CA 0.000 63.103 63.100 0.005 0.000 0.800 4 P CB 0.000 31.708 31.700 0.014 0.000 0.726 5 G N 0.796 109.602 108.800 0.010 0.000 2.441 5 G HA2 0.291 4.253 3.960 0.002 0.000 0.258 5 G HA3 0.291 4.253 3.960 0.002 0.000 0.258 5 G C -0.155 174.758 174.900 0.023 0.000 1.487 5 G CA -0.191 44.922 45.100 0.021 0.000 1.058 5 G HN 0.326 nan 8.290 nan 0.000 0.552 6 E N -1.501 118.717 120.200 0.029 0.000 2.374 6 E HA 0.367 4.718 4.350 0.002 0.000 0.260 6 E C -0.679 175.943 176.600 0.037 0.000 1.101 6 E CA -0.570 55.855 56.400 0.041 0.000 0.907 6 E CB 1.648 31.373 29.700 0.042 0.000 1.014 6 E HN 0.060 nan 8.360 nan 0.000 0.427 7 V N 2.308 122.268 119.914 0.077 0.000 2.385 7 V HA 0.106 4.228 4.120 0.002 0.000 0.269 7 V C -0.168 175.970 176.094 0.073 0.000 1.043 7 V CA -0.584 61.776 62.300 0.101 0.000 0.906 7 V CB 0.432 32.393 31.823 0.230 0.000 0.995 7 V HN 0.773 nan 8.190 nan 0.000 0.467 8 C N 7.632 126.943 119.300 0.019 0.000 2.399 8 C HA 0.629 5.091 4.460 0.002 0.000 0.348 8 C C -2.027 172.962 174.990 -0.002 0.000 1.183 8 C CA -1.234 57.787 59.018 0.005 0.000 2.023 8 C CB 1.660 29.382 27.740 -0.030 0.000 2.361 8 C HN 0.651 nan 8.230 nan 0.000 0.521 9 P HA 0.245 nan 4.420 nan 0.000 0.276 9 P C -0.032 177.211 177.300 -0.096 0.000 1.252 9 P CA 0.362 63.450 63.100 -0.021 0.000 0.802 9 P CB 0.414 32.111 31.700 -0.005 0.000 1.035 10 G N 1.606 110.308 108.800 -0.164 0.000 2.349 10 G HA2 0.212 4.174 3.960 0.002 0.000 0.232 10 G HA3 0.212 4.174 3.960 0.002 0.000 0.232 10 G C -0.102 174.673 174.900 -0.208 0.000 1.240 10 G CA -0.120 44.797 45.100 -0.305 0.000 0.870 10 G HN 0.425 nan 8.290 nan 0.000 0.528 11 M N 1.227 120.737 119.600 -0.150 0.000 2.644 11 M HA 0.362 4.843 4.480 0.002 0.000 0.304 11 M C -1.175 175.163 176.300 0.064 0.000 1.215 11 M CA -0.766 54.507 55.300 -0.045 0.000 0.871 11 M CB 2.852 35.420 32.600 -0.053 0.000 1.740 11 M HN 0.352 nan 8.290 nan 0.000 0.464 12 D N 2.765 123.207 120.400 0.070 0.000 2.346 12 D HA 0.467 5.108 4.640 0.002 0.000 0.255 12 D C -1.589 174.748 176.300 0.062 0.000 1.276 12 D CA -0.114 53.949 54.000 0.105 0.000 0.941 12 D CB 1.027 41.912 40.800 0.141 0.000 1.199 12 D HN 0.479 nan 8.370 nan 0.000 0.537 13 I N 2.821 123.422 120.570 0.052 0.000 2.339 13 I HA 0.429 4.600 4.170 0.002 0.000 0.290 13 I C 0.379 176.517 176.117 0.036 0.000 0.994 13 I CA -0.459 60.863 61.300 0.037 0.000 1.191 13 I CB 1.339 39.355 38.000 0.026 0.000 1.343 13 I HN -0.058 nan 8.210 nan 0.000 0.458 14 R N 4.439 124.951 120.500 0.020 0.000 2.795 14 R HA 0.531 4.872 4.340 0.002 0.000 0.275 14 R C 0.225 176.505 176.300 -0.033 0.000 0.981 14 R CA -0.764 55.330 56.100 -0.009 0.000 0.917 14 R CB 1.470 31.773 30.300 0.004 0.000 1.202 14 R HN 0.656 nan 8.270 nan 0.000 0.469 15 N N -0.355 118.288 118.700 -0.096 0.000 1.961 15 N HA -0.241 4.501 4.740 0.002 0.000 0.215 15 N C -0.635 174.840 175.510 -0.059 0.000 0.579 15 N CA 1.845 54.835 53.050 -0.101 0.000 4.210 15 N CB -0.905 37.553 38.487 -0.048 0.000 0.734 15 N HN 0.636 nan 8.380 nan 0.000 0.239 16 N N 0.657 119.346 118.700 -0.019 0.000 2.292 16 N HA 0.387 5.129 4.740 0.002 0.000 0.303 16 N C 0.812 176.334 175.510 0.021 0.000 1.140 16 N CA -0.477 52.575 53.050 0.003 0.000 0.788 16 N CB 1.600 40.096 38.487 0.016 0.000 1.361 16 N HN 0.057 nan 8.380 nan 0.000 0.489 17 L N 0.715 121.950 121.223 0.021 0.000 2.465 17 L HA -0.096 4.245 4.340 0.002 0.000 0.224 17 L C 2.458 179.384 176.870 0.093 0.000 1.145 17 L CA 0.741 55.601 54.840 0.033 0.000 0.834 17 L CB -0.643 41.405 42.059 -0.019 0.000 0.944 17 L HN 0.721 nan 8.230 nan 0.000 0.451 18 T N -1.840 112.779 114.554 0.108 0.000 2.624 18 T HA -0.317 4.034 4.350 0.002 0.000 0.268 18 T C 1.922 176.744 174.700 0.202 0.000 1.041 18 T CA 1.320 63.521 62.100 0.168 0.000 1.159 18 T CB -0.347 68.572 68.868 0.086 0.000 0.863 18 T HN 0.331 nan 8.240 nan 0.000 0.434 19 R N 0.334 120.895 120.500 0.102 0.000 2.276 19 R HA 0.233 4.575 4.340 0.002 0.000 0.203 19 R C 2.263 178.588 176.300 0.041 0.000 1.017 19 R CA 0.351 56.497 56.100 0.075 0.000 1.010 19 R CB -0.437 29.888 30.300 0.042 0.000 0.900 19 R HN 0.311 nan 8.270 nan 0.000 0.469 20 L N 0.724 121.944 121.223 -0.004 0.000 2.191 20 L HA -0.168 4.173 4.340 0.002 0.000 0.212 20 L C 1.717 178.482 176.870 -0.175 0.000 1.103 20 L CA 1.801 56.563 54.840 -0.129 0.000 0.769 20 L CB -0.458 41.520 42.059 -0.135 0.000 0.908 20 L HN 0.234 nan 8.230 nan 0.000 0.438 21 H N -1.029 118.128 119.070 0.145 0.000 2.545 21 H HA -0.068 4.490 4.556 0.002 0.000 0.282 21 H C 1.724 177.125 175.328 0.121 0.000 1.020 21 H CA 0.918 57.096 56.048 0.217 0.000 1.243 21 H CB 0.102 29.960 29.762 0.159 0.000 1.377 21 H HN 0.461 nan 8.280 nan 0.000 0.581 22 E N 0.761 121.032 120.200 0.118 0.000 2.331 22 E HA -0.077 4.274 4.350 0.002 0.000 0.199 22 E C 1.734 178.336 176.600 0.003 0.000 1.008 22 E CA 0.266 56.699 56.400 0.055 0.000 0.843 22 E CB -0.011 29.701 29.700 0.020 0.000 0.761 22 E HN 0.425 nan 8.360 nan 0.000 0.507 23 L N 0.655 121.823 121.223 -0.092 0.000 2.591 23 L HA -0.003 4.338 4.340 0.002 0.000 0.228 23 L C 2.028 178.914 176.870 0.027 0.000 1.133 23 L CA 0.330 55.064 54.840 -0.178 0.000 0.880 23 L CB -0.397 41.323 42.059 -0.565 0.000 1.033 23 L HN 0.241 nan 8.230 nan 0.000 0.450 24 E N 0.153 120.489 120.200 0.226 0.000 2.209 24 E HA -0.210 4.141 4.350 0.002 0.000 0.196 24 E C 0.646 177.382 176.600 0.227 0.000 0.993 24 E CA 1.186 57.820 56.400 0.390 0.000 0.819 24 E CB -0.139 29.762 29.700 0.334 0.000 0.745 24 E HN 0.469 nan 8.360 nan 0.000 0.477 25 N N 0.334 119.113 118.700 0.133 0.000 2.275 25 N HA 0.091 4.832 4.740 0.002 0.000 0.236 25 N C -0.982 174.563 175.510 0.057 0.000 1.154 25 N CA -0.157 52.945 53.050 0.088 0.000 0.866 25 N CB 0.575 39.102 38.487 0.066 0.000 1.093 25 N HN 0.125 nan 8.380 nan 0.000 0.515 26 C N 0.416 119.746 119.300 0.051 0.000 2.347 26 C HA 0.369 4.831 4.460 0.002 0.000 0.353 26 C C 1.915 176.898 174.990 -0.012 0.000 1.273 26 C CA -0.162 58.858 59.018 0.002 0.000 1.861 26 C CB -0.202 27.514 27.740 -0.040 0.000 2.420 26 C HN 0.363 nan 8.230 nan 0.000 0.542 27 S N 2.634 118.312 115.700 -0.036 0.000 2.404 27 S HA 0.133 4.604 4.470 0.002 0.000 0.223 27 S C 0.293 174.808 174.600 -0.142 0.000 1.040 27 S CA 0.524 58.682 58.200 -0.071 0.000 0.957 27 S CB 0.213 63.371 63.200 -0.069 0.000 0.826 27 S HN 0.710 nan 8.310 nan 0.000 0.491 28 V N 1.968 121.781 119.914 -0.168 0.000 2.588 28 V HA 0.480 4.602 4.120 0.002 0.000 0.304 28 V C -0.885 175.070 176.094 -0.231 0.000 1.042 28 V CA -0.625 61.501 62.300 -0.291 0.000 0.877 28 V CB 1.839 33.383 31.823 -0.466 0.000 0.996 28 V HN 0.222 nan 8.190 nan 0.000 0.425 29 I N 3.519 123.927 120.570 -0.270 0.000 2.312 29 I HA 0.343 4.514 4.170 0.002 0.000 0.290 29 I C 0.354 176.324 176.117 -0.245 0.000 1.008 29 I CA -0.095 61.074 61.300 -0.218 0.000 1.226 29 I CB 1.267 39.133 38.000 -0.224 0.000 1.371 29 I HN 0.694 nan 8.210 nan 0.000 0.468 30 E N 6.616 126.731 120.200 -0.141 0.000 1.993 30 E HA 0.537 4.888 4.350 0.002 0.000 0.271 30 E C 0.058 176.610 176.600 -0.079 0.000 1.008 30 E CA -0.149 56.206 56.400 -0.076 0.000 0.814 30 E CB 0.472 30.276 29.700 0.175 0.000 1.098 30 E HN 0.873 nan 8.360 nan 0.000 0.407 31 G N 3.406 112.114 108.800 -0.153 0.000 2.293 31 G HA2 -0.123 3.838 3.960 0.002 0.000 0.282 31 G HA3 -0.123 3.838 3.960 0.002 0.000 0.282 31 G C -1.030 173.691 174.900 -0.299 0.000 1.299 31 G CA -0.464 44.495 45.100 -0.236 0.000 1.018 31 G HN 0.679 nan 8.290 nan 0.000 0.478 32 H N -1.292 117.576 119.070 -0.336 0.000 2.615 32 H HA 0.838 5.395 4.556 0.002 0.000 0.346 32 H C -1.283 173.818 175.328 -0.378 0.000 1.200 32 H CA -0.943 54.762 56.048 -0.571 0.000 1.264 32 H CB 2.360 31.381 29.762 -1.236 0.000 1.699 32 H HN 0.826 nan 8.280 nan 0.000 0.567 33 L N 1.587 122.742 121.223 -0.113 0.000 2.372 33 L HA 0.276 4.617 4.340 0.002 0.000 0.273 33 L C -1.077 175.786 176.870 -0.010 0.000 0.989 33 L CA -0.250 54.556 54.840 -0.056 0.000 0.841 33 L CB 1.710 43.665 42.059 -0.174 0.000 1.225 33 L HN 0.694 nan 8.230 nan 0.000 0.414 34 Q N 6.025 125.860 119.800 0.059 0.000 2.331 34 Q HA 0.650 4.991 4.340 0.002 0.000 0.267 34 Q C -1.243 174.796 176.000 0.065 0.000 1.006 34 Q CA -0.481 55.348 55.803 0.042 0.000 0.818 34 Q CB 2.805 31.550 28.738 0.013 0.000 1.276 34 Q HN 0.610 nan 8.270 nan 0.000 0.450 35 I N 4.912 125.530 120.570 0.080 0.000 2.418 35 I HA 0.543 4.714 4.170 0.002 0.000 0.287 35 I C -0.634 175.540 176.117 0.094 0.000 1.008 35 I CA -0.825 60.528 61.300 0.089 0.000 1.104 35 I CB 1.136 39.206 38.000 0.117 0.000 1.264 35 I HN 0.494 nan 8.210 nan 0.000 0.438 36 L N 3.626 124.888 121.223 0.065 0.000 2.622 36 L HA 0.620 4.961 4.340 0.002 0.000 0.258 36 L C -0.528 176.281 176.870 -0.102 0.000 0.996 36 L CA -1.242 53.626 54.840 0.046 0.000 0.858 36 L CB 2.049 44.233 42.059 0.208 0.000 1.449 36 L HN 0.499 nan 8.230 nan 0.000 0.411 37 L N 0.378 121.426 121.223 -0.292 0.000 3.713 37 L HA -0.154 4.188 4.340 0.002 0.000 0.499 37 L C -0.684 175.744 176.870 -0.738 0.000 1.281 37 L CA 0.868 55.306 54.840 -0.670 0.000 0.796 37 L CB -1.228 40.555 42.059 -0.461 0.000 1.535 37 L HN 0.722 nan 8.230 nan 0.000 0.851 38 M N -0.024 119.284 119.600 -0.487 0.000 2.131 38 M HA 0.277 4.758 4.480 0.002 0.000 0.345 38 M C 0.669 176.829 176.300 -0.233 0.000 1.060 38 M CA -0.001 55.134 55.300 -0.275 0.000 1.011 38 M CB 0.528 33.124 32.600 -0.007 0.000 1.328 38 M HN 0.165 nan 8.290 nan 0.000 0.396 39 F N 0.434 120.217 119.950 -0.278 0.000 2.664 39 F HA 0.079 4.607 4.527 0.002 0.000 0.296 39 F C 1.816 177.370 175.800 -0.410 0.000 1.125 39 F CA 0.101 57.713 58.000 -0.648 0.000 1.444 39 F CB 0.351 39.054 39.000 -0.495 0.000 1.114 39 F HN 0.396 nan 8.300 nan 0.000 0.576 40 K N 0.199 120.599 120.400 -0.000 0.000 2.358 40 K HA 0.136 4.457 4.320 0.002 0.000 0.200 40 K C 0.603 177.246 176.600 0.071 0.000 1.030 40 K CA 0.259 56.566 56.287 0.032 0.000 1.097 40 K CB -0.349 32.165 32.500 0.024 0.000 0.862 40 K HN 0.121 nan 8.250 nan 0.000 0.534 41 T N -0.033 114.590 114.554 0.115 0.000 2.856 41 T HA 0.420 4.771 4.350 0.002 0.000 0.306 41 T C 0.294 175.132 174.700 0.230 0.000 1.062 41 T CA -0.423 61.763 62.100 0.144 0.000 1.083 41 T CB 1.421 70.423 68.868 0.223 0.000 0.984 41 T HN 0.001 nan 8.240 nan 0.000 0.542 42 R N 1.369 121.975 120.500 0.175 0.000 2.799 42 R HA 0.364 4.705 4.340 0.002 0.000 0.270 42 R C -2.177 174.246 176.300 0.205 0.000 1.010 42 R CA -2.289 53.909 56.100 0.163 0.000 0.916 42 R CB 1.542 31.887 30.300 0.075 0.000 1.228 42 R HN 0.292 nan 8.270 nan 0.000 0.469 43 P HA -0.174 nan 4.420 nan 0.000 0.217 43 P C 0.289 177.682 177.300 0.156 0.000 1.148 43 P CA 1.339 64.560 63.100 0.201 0.000 0.828 43 P CB 0.356 32.104 31.700 0.079 0.000 0.783 44 E N -0.553 119.686 120.200 0.064 0.000 2.153 44 E HA -0.161 4.190 4.350 0.002 0.000 0.194 44 E C 1.623 178.197 176.600 -0.043 0.000 0.988 44 E CA 0.998 57.407 56.400 0.014 0.000 0.811 44 E CB -0.969 28.730 29.700 -0.003 0.000 0.746 44 E HN 0.326 nan 8.360 nan 0.000 0.466 45 D N -0.792 119.529 120.400 -0.131 0.000 2.263 45 D HA -0.117 4.525 4.640 0.002 0.000 0.208 45 D C 0.746 176.738 176.300 -0.514 0.000 0.971 45 D CA 0.898 54.685 54.000 -0.355 0.000 0.867 45 D CB 0.031 40.500 40.800 -0.552 0.000 0.929 45 D HN 0.292 nan 8.370 nan 0.000 0.492 46 F N -0.263 119.689 119.950 0.004 0.000 2.682 46 F HA 0.213 4.741 4.527 0.002 0.000 0.308 46 F C 2.004 177.785 175.800 -0.032 0.000 1.093 46 F CA -0.557 57.433 58.000 -0.018 0.000 1.244 46 F CB 0.435 39.426 39.000 -0.013 0.000 1.052 46 F HN -0.314 nan 8.300 nan 0.000 0.573 47 R N 0.241 120.807 120.500 0.110 0.000 2.120 47 R HA -0.111 4.231 4.340 0.002 0.000 0.234 47 R C 0.301 176.611 176.300 0.018 0.000 1.123 47 R CA 1.155 57.288 56.100 0.056 0.000 0.975 47 R CB -0.397 29.922 30.300 0.031 0.000 0.866 47 R HN 0.164 nan 8.270 nan 0.000 0.446 48 D N -0.021 120.376 120.400 -0.005 0.000 2.891 48 D HA 0.161 4.803 4.640 0.002 0.000 0.312 48 D C -1.296 174.967 176.300 -0.061 0.000 1.354 48 D CA -0.270 53.711 54.000 -0.032 0.000 0.838 48 D CB -0.011 40.769 40.800 -0.033 0.000 1.117 48 D HN -0.144 nan 8.370 nan 0.000 0.473 49 L N 0.417 121.599 121.223 -0.067 0.000 2.381 49 L HA 0.644 4.985 4.340 0.002 0.000 0.274 49 L C -1.185 175.534 176.870 -0.252 0.000 0.988 49 L CA -0.327 54.423 54.840 -0.151 0.000 0.824 49 L CB 2.005 44.033 42.059 -0.051 0.000 1.263 49 L HN -0.105 nan 8.230 nan 0.000 0.410 50 S N 3.761 119.154 115.700 -0.512 0.000 2.543 50 S HA 0.681 5.153 4.470 0.002 0.000 0.271 50 S C -1.477 172.640 174.600 -0.806 0.000 1.148 50 S CA -0.343 57.578 58.200 -0.465 0.000 0.914 50 S CB 0.650 63.709 63.200 -0.236 0.000 1.096 50 S HN 0.320 nan 8.310 nan 0.000 0.471 51 F N 4.781 124.712 119.950 -0.032 0.000 2.449 51 F HA 0.382 4.910 4.527 0.002 0.000 0.329 51 F C -1.653 174.179 175.800 0.053 0.000 1.245 51 F CA -1.649 56.376 58.000 0.041 0.000 1.193 51 F CB 1.502 40.575 39.000 0.121 0.000 1.425 51 F HN 0.381 nan 8.300 nan 0.000 0.544 52 P HA -0.076 nan 4.420 nan 0.000 0.233 52 P C 0.882 178.214 177.300 0.054 0.000 1.167 52 P CA 0.960 64.091 63.100 0.052 0.000 0.770 52 P CB 0.316 32.022 31.700 0.010 0.000 0.837 53 K N -0.735 119.716 120.400 0.085 0.000 2.366 53 K HA 0.026 4.347 4.320 0.002 0.000 0.198 53 K C 0.849 177.467 176.600 0.030 0.000 1.044 53 K CA -0.110 56.209 56.287 0.053 0.000 0.973 53 K CB -0.269 32.269 32.500 0.064 0.000 0.767 53 K HN 0.095 nan 8.250 nan 0.000 0.475 54 L N 1.778 123.038 121.223 0.060 0.000 2.418 54 L HA 0.001 4.342 4.340 0.002 0.000 0.274 54 L C 0.603 177.432 176.870 -0.069 0.000 1.135 54 L CA 0.382 55.214 54.840 -0.013 0.000 0.870 54 L CB 0.457 42.518 42.059 0.004 0.000 1.154 54 L HN 0.012 nan 8.230 nan 0.000 0.462 55 I N 4.540 125.039 120.570 -0.118 0.000 3.883 55 I HA 0.258 4.430 4.170 0.002 0.000 0.305 55 I C 0.388 176.401 176.117 -0.173 0.000 1.247 55 I CA 0.581 61.802 61.300 -0.131 0.000 1.350 55 I CB -0.131 37.800 38.000 -0.115 0.000 1.194 55 I HN 0.575 nan 8.210 nan 0.000 0.441 56 M N 0.647 120.114 119.600 -0.222 0.000 2.413 56 M HA 0.454 4.935 4.480 0.002 0.000 0.287 56 M C -2.048 174.063 176.300 -0.316 0.000 1.186 56 M CA -0.358 54.782 55.300 -0.266 0.000 0.927 56 M CB 3.487 35.899 32.600 -0.313 0.000 1.715 56 M HN -0.184 nan 8.290 nan 0.000 0.478 57 I N 2.340 122.736 120.570 -0.290 0.000 2.436 57 I HA 0.282 4.453 4.170 0.002 0.000 0.289 57 I C 1.205 177.159 176.117 -0.272 0.000 1.010 57 I CA -0.353 60.775 61.300 -0.287 0.000 1.098 57 I CB 2.394 40.246 38.000 -0.247 0.000 1.266 57 I HN 0.827 nan 8.210 nan 0.000 0.434 58 T N -0.208 114.160 114.554 -0.311 0.000 2.985 58 T HA 0.012 4.364 4.350 0.002 0.000 0.266 58 T C 0.675 175.300 174.700 -0.125 0.000 1.076 58 T CA 0.834 62.775 62.100 -0.266 0.000 1.135 58 T CB 0.105 68.785 68.868 -0.313 0.000 0.890 58 T HN 0.463 nan 8.240 nan 0.000 0.480 59 D N 0.771 121.103 120.400 -0.113 0.000 2.736 59 D HA 0.304 4.945 4.640 0.002 0.000 0.251 59 D C -0.091 176.258 176.300 0.081 0.000 1.348 59 D CA 0.277 54.270 54.000 -0.012 0.000 1.160 59 D CB -0.037 40.725 40.800 -0.063 0.000 0.928 59 D HN 0.589 nan 8.370 nan 0.000 0.228 60 Y N -0.853 119.481 120.300 0.058 0.000 2.615 60 Y HA 0.656 5.207 4.550 0.002 0.000 0.341 60 Y C -1.544 174.358 175.900 0.003 0.000 1.089 60 Y CA -1.610 56.514 58.100 0.042 0.000 1.049 60 Y CB 0.955 39.469 38.460 0.090 0.000 1.296 60 Y HN -0.014 nan 8.280 nan 0.000 0.470 61 L N 3.784 125.122 121.223 0.191 0.000 2.313 61 L HA 0.704 5.045 4.340 0.002 0.000 0.283 61 L C -1.711 175.248 176.870 0.147 0.000 1.013 61 L CA -1.010 53.870 54.840 0.067 0.000 0.816 61 L CB 1.384 43.418 42.059 -0.042 0.000 1.236 61 L HN 0.875 nan 8.230 nan 0.000 0.419 62 L N 5.691 126.978 121.223 0.106 0.000 2.409 62 L HA 0.632 4.974 4.340 0.002 0.000 0.272 62 L C -1.912 174.986 176.870 0.048 0.000 0.980 62 L CA -0.573 54.277 54.840 0.017 0.000 0.826 62 L CB 1.569 43.552 42.059 -0.127 0.000 1.268 62 L HN 0.463 nan 8.230 nan 0.000 0.407 63 L N 6.026 127.298 121.223 0.081 0.000 2.381 63 L HA 0.536 4.877 4.340 0.002 0.000 0.274 63 L C -1.113 175.890 176.870 0.221 0.000 0.988 63 L CA -0.218 54.700 54.840 0.130 0.000 0.824 63 L CB 1.392 43.519 42.059 0.113 0.000 1.263 63 L HN 0.629 nan 8.230 nan 0.000 0.410 64 F N 4.469 124.441 119.950 0.037 0.000 2.607 64 F HA 0.455 4.984 4.527 0.002 0.000 0.322 64 F C 0.405 176.231 175.800 0.042 0.000 1.176 64 F CA -0.707 57.329 58.000 0.060 0.000 0.977 64 F CB 1.000 40.069 39.000 0.115 0.000 1.242 64 F HN 0.532 nan 8.300 nan 0.000 0.465 65 R N 3.522 123.757 120.500 -0.440 0.000 3.264 65 R HA -0.117 4.225 4.340 0.002 0.000 0.251 65 R C -1.613 174.659 176.300 -0.047 0.000 0.971 65 R CA 0.484 56.364 56.100 -0.366 0.000 0.658 65 R CB -2.198 27.712 30.300 -0.650 0.000 1.095 65 R HN 0.322 nan 8.270 nan 0.000 0.443 66 V N 3.008 122.924 119.914 0.002 0.000 2.311 66 V HA 0.241 4.362 4.120 0.002 0.000 0.275 66 V C 0.257 176.461 176.094 0.183 0.000 1.022 66 V CA -0.698 61.668 62.300 0.110 0.000 0.830 66 V CB 0.785 32.632 31.823 0.040 0.000 1.012 66 V HN 0.090 nan 8.190 nan 0.000 0.452 67 Y N 2.585 122.938 120.300 0.088 0.000 2.346 67 Y HA 0.525 5.076 4.550 0.002 0.000 0.330 67 Y C 1.548 177.674 175.900 0.377 0.000 1.178 67 Y CA 0.612 58.845 58.100 0.221 0.000 1.331 67 Y CB 0.984 39.593 38.460 0.248 0.000 1.253 67 Y HN 0.825 nan 8.280 nan 0.000 0.529 68 G N 1.422 110.623 108.800 0.669 0.000 2.225 68 G HA2 -0.294 3.668 3.960 0.002 0.000 0.254 68 G HA3 -0.294 3.668 3.960 0.002 0.000 0.254 68 G C -0.318 174.694 174.900 0.186 0.000 0.988 68 G CA -0.030 45.289 45.100 0.364 0.000 0.625 68 G HN 0.552 nan 8.290 nan 0.000 0.527 69 L N 1.508 122.681 121.223 -0.083 0.000 2.278 69 L HA 0.652 4.993 4.340 0.002 0.000 0.287 69 L C 1.045 177.813 176.870 -0.169 0.000 1.072 69 L CA 0.260 54.803 54.840 -0.496 0.000 0.819 69 L CB 0.784 42.338 42.059 -0.841 0.000 1.176 69 L HN 0.300 nan 8.230 nan 0.000 0.435 70 E N 1.852 121.986 120.200 -0.111 0.000 2.389 70 E HA 0.182 4.534 4.350 0.002 0.000 0.199 70 E C -0.126 176.468 176.600 -0.009 0.000 0.978 70 E CA 0.066 56.456 56.400 -0.018 0.000 0.912 70 E CB 0.658 30.365 29.700 0.012 0.000 0.907 70 E HN 0.561 nan 8.360 nan 0.000 0.494 71 S N -0.539 115.133 115.700 -0.047 0.000 2.552 71 S HA 0.296 4.767 4.470 0.002 0.000 0.272 71 S C -0.561 174.001 174.600 -0.064 0.000 1.150 71 S CA -0.674 57.516 58.200 -0.016 0.000 0.849 71 S CB 0.781 63.985 63.200 0.006 0.000 1.113 71 S HN 0.111 nan 8.310 nan 0.000 0.458 72 L N 3.641 124.847 121.223 -0.028 0.000 2.607 72 L HA 0.272 4.613 4.340 0.002 0.000 0.228 72 L C 2.219 179.050 176.870 -0.065 0.000 1.123 72 L CA 0.039 54.843 54.840 -0.060 0.000 0.890 72 L CB -0.272 41.818 42.059 0.051 0.000 1.103 72 L HN 0.757 nan 8.230 nan 0.000 0.468 73 K N -0.505 119.884 120.400 -0.019 0.000 2.211 73 K HA -0.139 4.182 4.320 0.002 0.000 0.203 73 K C 0.746 177.365 176.600 0.031 0.000 1.050 73 K CA 1.438 57.744 56.287 0.032 0.000 0.945 73 K CB 0.047 32.592 32.500 0.076 0.000 0.732 73 K HN 0.173 nan 8.250 nan 0.000 0.451 74 D N 0.518 120.904 120.400 -0.024 0.000 2.324 74 D HA -0.014 4.627 4.640 0.002 0.000 0.212 74 D C 1.814 178.041 176.300 -0.121 0.000 0.984 74 D CA 0.262 54.237 54.000 -0.040 0.000 0.885 74 D CB 0.069 40.853 40.800 -0.027 0.000 0.996 74 D HN 0.081 nan 8.370 nan 0.000 0.505 75 L N -0.208 120.882 121.223 -0.222 0.000 2.005 75 L HA -0.006 4.336 4.340 0.002 0.000 0.207 75 L C 0.567 177.156 176.870 -0.468 0.000 1.072 75 L CA 1.667 56.236 54.840 -0.453 0.000 0.744 75 L CB -0.236 41.357 42.059 -0.776 0.000 0.895 75 L HN -0.097 nan 8.230 nan 0.000 0.433 76 F N -0.246 119.704 119.950 0.000 0.000 2.542 76 F HA 0.317 4.845 4.527 0.002 0.000 0.323 76 F C -1.468 174.208 175.800 -0.206 0.000 1.411 76 F CA -1.370 56.593 58.000 -0.063 0.000 1.124 76 F CB 0.228 39.181 39.000 -0.079 0.000 1.331 76 F HN 0.045 nan 8.300 nan 0.000 0.560 77 P HA -0.113 nan 4.420 nan 0.000 0.220 77 P C 0.535 177.520 177.300 -0.526 0.000 1.148 77 P CA 1.412 64.297 63.100 -0.359 0.000 0.803 77 P CB 0.391 32.016 31.700 -0.125 0.000 0.782 78 N N -0.883 117.666 118.700 -0.251 0.000 2.184 78 N HA 0.082 4.824 4.740 0.002 0.000 0.206 78 N C 0.328 175.725 175.510 -0.188 0.000 1.151 78 N CA -0.322 52.596 53.050 -0.219 0.000 0.878 78 N CB 0.088 38.509 38.487 -0.110 0.000 1.014 78 N HN 0.121 nan 8.380 nan 0.000 0.512 79 L N 1.606 122.719 121.223 -0.183 0.000 2.562 79 L HA 0.075 4.417 4.340 0.002 0.000 0.271 79 L C 0.922 177.672 176.870 -0.199 0.000 1.167 79 L CA 0.974 55.705 54.840 -0.181 0.000 0.917 79 L CB 0.408 42.352 42.059 -0.192 0.000 1.187 79 L HN -0.056 nan 8.230 nan 0.000 0.482 80 T N 3.034 117.495 114.554 -0.155 0.000 2.999 80 T HA 0.278 4.629 4.350 0.002 0.000 0.247 80 T C -0.011 174.642 174.700 -0.077 0.000 1.012 80 T CA 0.238 62.268 62.100 -0.117 0.000 1.048 80 T CB 0.417 69.229 68.868 -0.092 0.000 1.020 80 T HN 0.286 nan 8.240 nan 0.000 0.478 81 V N 1.857 121.715 119.914 -0.092 0.000 2.733 81 V HA 0.523 4.644 4.120 0.002 0.000 0.306 81 V C -1.339 174.698 176.094 -0.095 0.000 1.084 81 V CA -0.991 61.267 62.300 -0.070 0.000 0.905 81 V CB 2.379 34.160 31.823 -0.071 0.000 1.010 81 V HN 0.254 nan 8.190 nan 0.000 0.424 82 I N 4.375 124.915 120.570 -0.051 0.000 2.411 82 I HA 0.478 4.649 4.170 0.002 0.000 0.284 82 I C 1.151 177.252 176.117 -0.026 0.000 1.012 82 I CA -0.437 60.832 61.300 -0.052 0.000 1.119 82 I CB 1.763 39.760 38.000 -0.005 0.000 1.261 82 I HN 0.588 nan 8.210 nan 0.000 0.448 83 R N 3.842 124.307 120.500 -0.058 0.000 2.119 83 R HA 0.095 4.436 4.340 0.002 0.000 0.222 83 R C 1.344 177.645 176.300 0.003 0.000 1.088 83 R CA 0.729 56.807 56.100 -0.037 0.000 0.984 83 R CB 0.027 30.285 30.300 -0.070 0.000 0.884 83 R HN 0.992 nan 8.270 nan 0.000 0.447 84 G N 0.663 109.478 108.800 0.025 0.000 2.198 84 G HA2 -0.270 3.692 3.960 0.002 0.000 0.257 84 G HA3 -0.270 3.692 3.960 0.002 0.000 0.257 84 G C 0.685 175.620 174.900 0.059 0.000 1.042 84 G CA 0.505 45.646 45.100 0.068 0.000 0.791 84 G HN 0.319 nan 8.290 nan 0.000 0.502 85 S N -0.479 115.247 115.700 0.042 0.000 2.368 85 S HA 0.041 4.513 4.470 0.002 0.000 0.225 85 S C 1.491 176.125 174.600 0.056 0.000 1.030 85 S CA 0.988 59.212 58.200 0.040 0.000 0.999 85 S CB 0.045 63.262 63.200 0.029 0.000 0.844 85 S HN 0.609 nan 8.310 nan 0.000 0.459 86 R N 0.159 120.717 120.500 0.097 0.000 2.778 86 R HA 0.686 5.028 4.340 0.002 0.000 0.277 86 R C -0.767 175.691 176.300 0.264 0.000 0.977 86 R CA -0.422 55.765 56.100 0.145 0.000 0.950 86 R CB 0.936 31.337 30.300 0.167 0.000 1.165 86 R HN 0.172 nan 8.270 nan 0.000 0.474 87 L N 0.751 122.094 121.223 0.201 0.000 2.309 87 L HA 0.545 4.886 4.340 0.002 0.000 0.261 87 L C -0.714 176.114 176.870 -0.070 0.000 1.021 87 L CA -1.064 53.861 54.840 0.141 0.000 0.823 87 L CB 1.654 43.722 42.059 0.014 0.000 1.366 87 L HN 0.384 nan 8.230 nan 0.000 0.423 88 F N 1.555 121.201 119.950 -0.507 0.000 2.334 88 F HA 0.482 5.011 4.527 0.002 0.000 0.367 88 F C 0.210 175.957 175.800 -0.088 0.000 1.115 88 F CA -0.336 57.311 58.000 -0.587 0.000 1.116 88 F CB -0.034 38.390 39.000 -0.961 0.000 1.230 88 F HN 0.427 nan 8.300 nan 0.000 0.484 89 F N 1.038 120.671 119.950 -0.528 0.000 2.426 89 F HA -0.479 4.050 4.527 0.002 0.000 0.283 89 F C 1.513 177.091 175.800 -0.370 0.000 1.467 89 F CA 1.738 59.493 58.000 -0.408 0.000 1.793 89 F CB -0.941 37.846 39.000 -0.353 0.000 1.994 89 F HN 0.552 nan 8.300 nan 0.000 0.187 90 N N 0.441 118.920 118.700 -0.368 0.000 2.273 90 N HA 0.152 4.894 4.740 0.002 0.000 0.231 90 N C -1.136 174.072 175.510 -0.503 0.000 1.134 90 N CA 0.092 52.873 53.050 -0.448 0.000 0.856 90 N CB -0.181 38.016 38.487 -0.483 0.000 1.068 90 N HN 0.567 nan 8.380 nan 0.000 0.510 91 Y N -0.159 120.155 120.300 0.023 0.000 2.377 91 Y HA 0.611 5.163 4.550 0.002 0.000 0.339 91 Y C 1.063 176.981 175.900 0.029 0.000 1.011 91 Y CA -1.036 57.073 58.100 0.016 0.000 1.093 91 Y CB 1.986 40.460 38.460 0.025 0.000 1.201 91 Y HN 0.056 nan 8.280 nan 0.000 0.455 92 A N 2.552 125.496 122.820 0.206 0.000 2.147 92 A HA 0.230 4.551 4.320 0.002 0.000 0.211 92 A C -0.227 177.472 177.584 0.193 0.000 1.160 92 A CA 0.472 52.628 52.037 0.199 0.000 0.781 92 A CB 0.278 19.360 19.000 0.136 0.000 0.842 92 A HN 0.545 nan 8.150 nan 0.000 0.475 93 L N 0.038 121.347 121.223 0.145 0.000 2.439 93 L HA 0.624 4.966 4.340 0.002 0.000 0.270 93 L C -1.581 175.300 176.870 0.018 0.000 0.972 93 L CA -0.529 54.367 54.840 0.093 0.000 0.836 93 L CB 2.227 44.340 42.059 0.090 0.000 1.255 93 L HN -0.110 nan 8.230 nan 0.000 0.404 94 V N 6.460 126.372 119.914 -0.002 0.000 2.525 94 V HA 0.567 4.689 4.120 0.002 0.000 0.299 94 V C -0.637 175.456 176.094 -0.003 0.000 1.034 94 V CA -0.438 61.811 62.300 -0.085 0.000 0.863 94 V CB 1.822 33.521 31.823 -0.206 0.000 0.999 94 V HN 0.525 nan 8.190 nan 0.000 0.423 95 I N 5.812 126.403 120.570 0.034 0.000 2.448 95 I HA 0.469 4.640 4.170 0.002 0.000 0.281 95 I C -1.083 175.152 176.117 0.196 0.000 1.027 95 I CA -0.235 61.131 61.300 0.110 0.000 1.111 95 I CB 1.378 39.439 38.000 0.103 0.000 1.236 95 I HN 0.561 nan 8.210 nan 0.000 0.452 96 F N 5.557 125.540 119.950 0.055 0.000 2.557 96 F HA 0.392 4.920 4.527 0.002 0.000 0.316 96 F C 0.783 176.730 175.800 0.246 0.000 1.141 96 F CA -0.654 57.407 58.000 0.102 0.000 0.922 96 F CB 1.189 40.209 39.000 0.034 0.000 1.194 96 F HN 0.614 nan 8.300 nan 0.000 0.443 97 E N 5.004 125.001 120.200 -0.338 0.000 2.360 97 E HA -0.201 4.150 4.350 0.002 0.000 0.238 97 E C -0.514 175.944 176.600 -0.237 0.000 1.186 97 E CA 0.284 56.461 56.400 -0.370 0.000 0.719 97 E CB -0.624 28.772 29.700 -0.507 0.000 1.236 97 E HN 0.418 nan 8.360 nan 0.000 0.386 98 M N 1.093 120.603 119.600 -0.150 0.000 2.974 98 M HA 0.052 4.533 4.480 0.002 0.000 0.301 98 M C 1.650 177.800 176.300 -0.250 0.000 1.409 98 M CA 0.144 55.346 55.300 -0.164 0.000 1.515 98 M CB 0.024 32.591 32.600 -0.056 0.000 1.163 98 M HN 0.178 nan 8.290 nan 0.000 0.520 99 V N 0.250 119.885 119.914 -0.464 0.000 2.568 99 V HA -0.230 3.891 4.120 0.002 0.000 0.253 99 V C 1.119 176.915 176.094 -0.496 0.000 1.072 99 V CA 1.873 63.821 62.300 -0.587 0.000 1.084 99 V CB -1.198 30.050 31.823 -0.958 0.000 0.676 99 V HN 0.828 nan 8.190 nan 0.000 0.469 100 H N -1.209 117.748 119.070 -0.188 0.000 2.893 100 H HA 0.477 5.035 4.556 0.002 0.000 0.270 100 H C 0.387 175.673 175.328 -0.070 0.000 1.095 100 H CA -0.680 55.301 56.048 -0.113 0.000 1.186 100 H CB 0.827 30.531 29.762 -0.097 0.000 1.562 100 H HN 0.380 nan 8.280 nan 0.000 0.536 101 L N 2.077 123.304 121.223 0.006 0.000 2.418 101 L HA 0.057 4.398 4.340 0.002 0.000 0.274 101 L C 0.720 177.622 176.870 0.053 0.000 1.135 101 L CA 0.556 55.407 54.840 0.019 0.000 0.870 101 L CB 0.587 42.650 42.059 0.007 0.000 1.154 101 L HN 0.057 nan 8.230 nan 0.000 0.462 102 K N 3.272 123.717 120.400 0.076 0.000 2.335 102 K HA 0.148 4.469 4.320 0.002 0.000 0.195 102 K C -0.409 176.294 176.600 0.172 0.000 1.058 102 K CA 0.403 56.756 56.287 0.110 0.000 0.988 102 K CB 0.454 33.019 32.500 0.107 0.000 0.880 102 K HN 0.775 nan 8.250 nan 0.000 0.513 103 E N -0.389 119.907 120.200 0.159 0.000 2.412 103 E HA 0.161 4.513 4.350 0.002 0.000 0.279 103 E C 0.114 176.822 176.600 0.180 0.000 0.984 103 E CA -0.557 55.971 56.400 0.214 0.000 0.788 103 E CB 0.924 30.722 29.700 0.164 0.000 1.277 103 E HN -0.192 nan 8.360 nan 0.000 0.455 104 L N 1.003 122.378 121.223 0.254 0.000 1.993 104 L HA 0.085 4.426 4.340 0.002 0.000 0.206 104 L C 1.655 178.634 176.870 0.180 0.000 1.074 104 L CA 1.552 56.548 54.840 0.259 0.000 0.746 104 L CB -0.788 41.529 42.059 0.430 0.000 0.896 104 L HN 1.070 nan 8.230 nan 0.000 0.435 105 G N 0.231 109.178 108.800 0.246 0.000 2.153 105 G HA2 -0.286 3.675 3.960 0.002 0.000 0.252 105 G HA3 -0.286 3.675 3.960 0.002 0.000 0.252 105 G C 0.299 175.096 174.900 -0.172 0.000 0.994 105 G CA -0.003 45.157 45.100 0.100 0.000 0.698 105 G HN 0.261 nan 8.290 nan 0.000 0.521 106 L N 1.351 122.274 121.223 -0.500 0.000 2.437 106 L HA 0.261 4.603 4.340 0.002 0.000 0.243 106 L C 1.883 177.813 176.870 -1.566 0.000 1.346 106 L CA -0.543 53.813 54.840 -0.808 0.000 1.233 106 L CB -0.718 41.010 42.059 -0.553 0.000 1.436 106 L HN 0.493 nan 8.230 nan 0.000 0.416 107 Y N -1.692 117.881 120.300 -1.211 0.000 2.616 107 Y HA 0.029 4.580 4.550 0.002 0.000 0.296 107 Y C 1.543 177.047 175.900 -0.660 0.000 1.154 107 Y CA 0.265 57.618 58.100 -1.246 0.000 1.325 107 Y CB -0.453 37.612 38.460 -0.658 0.000 1.007 107 Y HN 0.359 nan 8.280 nan 0.000 0.542 108 N N 0.786 118.988 118.700 -0.830 0.000 2.230 108 N HA 0.076 4.817 4.740 0.002 0.000 0.202 108 N C -0.496 174.840 175.510 -0.289 0.000 1.119 108 N CA -0.068 52.717 53.050 -0.442 0.000 0.851 108 N CB 0.434 38.660 38.487 -0.435 0.000 0.990 108 N HN 0.288 nan 8.380 nan 0.000 0.497 109 L N 1.785 122.795 121.223 -0.355 0.000 2.325 109 L HA 0.182 4.523 4.340 0.002 0.000 0.284 109 L C 1.003 177.898 176.870 0.041 0.000 1.089 109 L CA 0.224 54.975 54.840 -0.147 0.000 0.836 109 L CB 0.563 42.535 42.059 -0.146 0.000 1.184 109 L HN -0.095 nan 8.230 nan 0.000 0.444 110 M N 2.892 122.514 119.600 0.037 0.000 2.571 110 M HA 0.272 4.753 4.480 0.002 0.000 0.259 110 M C 0.271 176.623 176.300 0.085 0.000 1.205 110 M CA 0.506 55.849 55.300 0.072 0.000 1.138 110 M CB -0.578 32.044 32.600 0.038 0.000 1.329 110 M HN 0.675 nan 8.290 nan 0.000 0.503 111 N N 0.304 119.049 118.700 0.075 0.000 2.371 111 N HA 0.386 5.128 4.740 0.002 0.000 0.280 111 N C -1.990 173.568 175.510 0.081 0.000 1.084 111 N CA -0.187 52.908 53.050 0.075 0.000 0.892 111 N CB 2.561 41.071 38.487 0.038 0.000 1.653 111 N HN 0.019 nan 8.380 nan 0.000 0.480 112 I N 2.749 123.381 120.570 0.103 0.000 2.390 112 I HA 0.172 4.343 4.170 0.002 0.000 0.283 112 I C 1.210 177.365 176.117 0.062 0.000 1.016 112 I CA -0.311 61.043 61.300 0.090 0.000 1.151 112 I CB 1.791 39.870 38.000 0.132 0.000 1.293 112 I HN 0.509 nan 8.210 nan 0.000 0.458 113 T N 4.366 118.943 114.554 0.037 0.000 2.942 113 T HA 0.036 4.387 4.350 0.002 0.000 0.265 113 T C 0.826 175.541 174.700 0.025 0.000 1.062 113 T CA 0.904 63.019 62.100 0.024 0.000 1.139 113 T CB 0.027 68.899 68.868 0.006 0.000 0.883 113 T HN 0.483 nan 8.240 nan 0.000 0.468 114 R N -0.367 120.150 120.500 0.029 0.000 2.668 114 R HA 0.511 4.853 4.340 0.002 0.000 0.272 114 R C -0.794 175.526 176.300 0.033 0.000 1.019 114 R CA 0.174 56.289 56.100 0.025 0.000 0.894 114 R CB 1.557 31.869 30.300 0.020 0.000 1.228 114 R HN 0.368 nan 8.270 nan 0.000 0.460 115 G N 1.125 109.935 108.800 0.016 0.000 2.712 115 G HA2 -0.156 3.806 3.960 0.002 0.000 0.683 115 G HA3 -0.156 3.806 3.960 0.002 0.000 0.683 115 G C -1.143 173.772 174.900 0.026 0.000 1.320 115 G CA -0.359 44.746 45.100 0.009 0.000 0.847 115 G HN 0.629 nan 8.290 nan 0.000 0.553 116 S N -1.932 113.792 115.700 0.039 0.000 2.766 116 S HA 0.806 5.277 4.470 0.002 0.000 0.307 116 S C -0.058 174.645 174.600 0.173 0.000 1.121 116 S CA -0.415 57.837 58.200 0.086 0.000 0.980 116 S CB 1.993 65.247 63.200 0.089 0.000 1.159 116 S HN 1.214 nan 8.310 nan 0.000 0.546 117 V N 1.626 121.554 119.914 0.024 0.000 2.417 117 V HA 0.538 4.659 4.120 0.002 0.000 0.291 117 V C -0.202 175.773 176.094 -0.198 0.000 1.024 117 V CA -0.542 61.666 62.300 -0.154 0.000 0.861 117 V CB 1.234 32.720 31.823 -0.561 0.000 0.985 117 V HN 0.705 nan 8.190 nan 0.000 0.436 118 R N 5.139 125.423 120.500 -0.361 0.000 2.388 118 R HA 0.658 4.999 4.340 0.002 0.000 0.314 118 R C -1.336 174.806 176.300 -0.264 0.000 0.959 118 R CA -0.325 55.474 56.100 -0.502 0.000 0.851 118 R CB 0.895 30.504 30.300 -1.151 0.000 1.168 118 R HN 0.733 nan 8.270 nan 0.000 0.472 119 I N 3.749 124.220 120.570 -0.165 0.000 2.437 119 I HA 0.313 4.484 4.170 0.002 0.000 0.279 119 I C -0.682 175.413 176.117 -0.036 0.000 1.028 119 I CA -0.405 60.865 61.300 -0.051 0.000 1.142 119 I CB 1.674 39.670 38.000 -0.006 0.000 1.266 119 I HN 0.596 nan 8.210 nan 0.000 0.461 120 E N 6.958 127.191 120.200 0.055 0.000 2.275 120 E HA 0.361 4.713 4.350 0.002 0.000 0.270 120 E C -0.871 175.835 176.600 0.176 0.000 0.882 120 E CA -0.677 55.783 56.400 0.100 0.000 0.758 120 E CB 1.382 31.175 29.700 0.156 0.000 1.195 120 E HN 0.422 nan 8.360 nan 0.000 0.419 121 K N 2.568 123.010 120.400 0.070 0.000 3.162 121 K HA -0.120 4.201 4.320 0.002 0.000 0.268 121 K C -1.054 175.510 176.600 -0.060 0.000 1.062 121 K CA 0.485 56.774 56.287 0.002 0.000 0.769 121 K CB -1.158 31.333 32.500 -0.016 0.000 1.274 121 K HN 0.533 nan 8.250 nan 0.000 0.478 122 N N 1.100 119.781 118.700 -0.030 0.000 2.621 122 N HA 0.111 4.853 4.740 0.002 0.000 0.237 122 N C 0.100 175.588 175.510 -0.037 0.000 0.997 122 N CA -0.374 52.651 53.050 -0.042 0.000 0.918 122 N CB 0.909 39.396 38.487 -0.001 0.000 1.122 122 N HN 0.248 nan 8.380 nan 0.000 0.510 123 N N 0.698 119.360 118.700 -0.063 0.000 2.381 123 N HA -0.079 4.662 4.740 0.002 0.000 0.182 123 N C 0.576 176.074 175.510 -0.020 0.000 1.025 123 N CA 0.679 53.703 53.050 -0.043 0.000 0.888 123 N CB 0.359 38.814 38.487 -0.054 0.000 0.965 123 N HN 0.378 nan 8.380 nan 0.000 0.438 124 E N 0.265 120.458 120.200 -0.012 0.000 2.481 124 E HA 0.066 4.417 4.350 0.002 0.000 0.198 124 E C -0.345 176.275 176.600 0.033 0.000 1.027 124 E CA -0.157 56.253 56.400 0.016 0.000 0.900 124 E CB 0.190 29.911 29.700 0.035 0.000 0.993 124 E HN 0.193 nan 8.360 nan 0.000 0.482 125 L N 1.231 122.472 121.223 0.031 0.000 2.313 125 L HA 0.157 4.499 4.340 0.002 0.000 0.282 125 L C -0.319 176.591 176.870 0.066 0.000 1.092 125 L CA -0.015 54.862 54.840 0.063 0.000 0.831 125 L CB 0.281 42.379 42.059 0.066 0.000 1.159 125 L HN -0.055 nan 8.230 nan 0.000 0.442 126 c N 2.468 121.129 118.600 0.102 0.000 3.205 126 c HA 0.426 4.997 4.570 0.002 0.000 0.372 126 c C -0.100 174.093 174.090 0.171 0.000 1.892 126 c CA -0.733 55.632 56.329 0.060 0.000 1.516 126 c CB 0.795 43.289 42.510 -0.027 0.000 2.371 126 c HN 0.812 nan 8.230 nan 0.000 0.468 127 Y N -0.131 120.191 120.300 0.037 0.000 3.589 127 Y HA -0.216 4.335 4.550 0.002 0.000 0.218 127 Y C 0.968 176.871 175.900 0.005 0.000 1.234 127 Y CA 0.302 58.417 58.100 0.025 0.000 1.576 127 Y CB -1.656 36.847 38.460 0.072 0.000 1.487 127 Y HN 0.456 nan 8.280 nan 0.000 0.616 128 L N -1.908 119.371 121.223 0.094 0.000 2.362 128 L HA 0.118 4.459 4.340 0.002 0.000 0.204 128 L C 2.395 179.285 176.870 0.033 0.000 1.060 128 L CA 0.830 55.732 54.840 0.104 0.000 0.827 128 L CB -0.388 41.757 42.059 0.143 0.000 1.027 128 L HN 0.337 nan 8.230 nan 0.000 0.474 129 A N 0.368 123.186 122.820 -0.004 0.000 2.067 129 A HA -0.152 4.169 4.320 0.002 0.000 0.219 129 A C 2.203 179.741 177.584 -0.075 0.000 1.158 129 A CA 1.934 53.958 52.037 -0.022 0.000 0.661 129 A CB -0.795 18.191 19.000 -0.023 0.000 0.801 129 A HN 0.503 nan 8.150 nan 0.000 0.452 130 T N -2.306 112.184 114.554 -0.107 0.000 3.113 130 T HA 0.328 4.680 4.350 0.002 0.000 0.256 130 T C 0.548 175.056 174.700 -0.321 0.000 1.131 130 T CA 0.048 62.056 62.100 -0.153 0.000 1.074 130 T CB -0.397 68.448 68.868 -0.038 0.000 0.944 130 T HN 0.281 nan 8.240 nan 0.000 0.516 131 I N 2.595 122.898 120.570 -0.444 0.000 2.325 131 I HA 0.266 4.437 4.170 0.002 0.000 0.291 131 I C -0.279 175.464 176.117 -0.624 0.000 1.019 131 I CA -0.773 60.037 61.300 -0.816 0.000 1.302 131 I CB 1.104 38.325 38.000 -1.299 0.000 1.401 131 I HN -0.008 nan 8.210 nan 0.000 0.485 132 D N 6.121 126.204 120.400 -0.528 0.000 2.422 132 D HA 0.067 4.708 4.640 0.002 0.000 0.227 132 D C 0.519 176.666 176.300 -0.255 0.000 1.190 132 D CA -0.162 53.660 54.000 -0.296 0.000 0.905 132 D CB 0.397 41.072 40.800 -0.207 0.000 1.034 132 D HN 0.372 nan 8.370 nan 0.000 0.507 133 W N 1.948 123.197 121.300 -0.085 0.000 2.465 133 W HA -0.136 4.525 4.660 0.002 0.000 0.268 133 W C 2.556 179.070 176.519 -0.008 0.000 1.242 133 W CA 0.680 58.005 57.345 -0.033 0.000 1.248 133 W CB -0.105 29.346 29.460 -0.015 0.000 1.118 133 W HN 0.467 nan 8.180 nan 0.000 0.587 134 S N 0.243 116.043 115.700 0.166 0.000 2.469 134 S HA -0.133 4.338 4.470 0.002 0.000 0.238 134 S C 1.735 176.377 174.600 0.069 0.000 0.998 134 S CA 0.656 58.916 58.200 0.101 0.000 0.957 134 S CB -0.228 63.005 63.200 0.056 0.000 0.764 134 S HN 0.157 nan 8.310 nan 0.000 0.514 135 R N 0.619 121.148 120.500 0.048 0.000 2.236 135 R HA 0.362 4.704 4.340 0.002 0.000 0.208 135 R C 1.693 178.037 176.300 0.075 0.000 1.036 135 R CA 0.563 56.685 56.100 0.037 0.000 1.001 135 R CB -0.642 29.662 30.300 0.006 0.000 0.896 135 R HN 0.553 nan 8.270 nan 0.000 0.464 136 I N -0.541 120.111 120.570 0.136 0.000 3.445 136 I HA 0.063 4.234 4.170 0.002 0.000 0.288 136 I C 0.069 176.294 176.117 0.180 0.000 1.198 136 I CA 0.236 61.650 61.300 0.190 0.000 1.417 136 I CB 0.397 38.584 38.000 0.312 0.000 1.205 136 I HN -0.134 nan 8.210 nan 0.000 0.448 137 L N 0.738 122.072 121.223 0.185 0.000 2.362 137 L HA 0.315 4.656 4.340 0.002 0.000 0.275 137 L C 0.497 177.419 176.870 0.087 0.000 0.998 137 L CA -0.368 54.548 54.840 0.127 0.000 0.820 137 L CB 1.758 43.893 42.059 0.127 0.000 1.270 137 L HN -0.120 nan 8.230 nan 0.000 0.415 138 D N 0.141 120.575 120.400 0.057 0.000 2.123 138 D HA -0.126 4.516 4.640 0.002 0.000 0.196 138 D C 0.708 177.030 176.300 0.038 0.000 0.992 138 D CA 1.321 55.344 54.000 0.039 0.000 0.833 138 D CB 0.325 41.141 40.800 0.026 0.000 0.954 138 D HN 0.378 nan 8.370 nan 0.000 0.455 139 S N -0.639 115.083 115.700 0.036 0.000 2.561 139 S HA 0.354 4.825 4.470 0.002 0.000 0.303 139 S C 0.299 174.916 174.600 0.028 0.000 1.110 139 S CA -0.795 57.422 58.200 0.028 0.000 1.034 139 S CB 1.715 64.924 63.200 0.014 0.000 1.010 139 S HN -0.036 nan 8.310 nan 0.000 0.482 140 V N 2.515 122.447 119.914 0.030 0.000 3.444 140 V HA 0.444 4.566 4.120 0.002 0.000 0.308 140 V C 1.215 177.310 176.094 0.001 0.000 1.371 140 V CA 0.125 62.434 62.300 0.014 0.000 1.141 140 V CB -0.147 31.703 31.823 0.046 0.000 1.037 140 V HN 0.715 nan 8.190 nan 0.000 0.433 141 E N 0.977 121.182 120.200 0.007 0.000 2.216 141 E HA -0.071 4.281 4.350 0.002 0.000 0.192 141 E C 0.984 177.589 176.600 0.009 0.000 0.988 141 E CA 1.128 57.533 56.400 0.008 0.000 0.834 141 E CB -0.031 29.672 29.700 0.007 0.000 0.772 141 E HN 0.653 nan 8.360 nan 0.000 0.479 142 D N 0.856 121.259 120.400 0.006 0.000 2.328 142 D HA 0.026 4.668 4.640 0.002 0.000 0.221 142 D C -0.053 176.295 176.300 0.081 0.000 1.072 142 D CA -0.097 53.916 54.000 0.020 0.000 0.850 142 D CB -0.117 40.670 40.800 -0.021 0.000 0.922 142 D HN -0.022 nan 8.370 nan 0.000 0.516 143 N N 0.858 119.578 118.700 0.033 0.000 2.441 143 N HA -0.035 4.706 4.740 0.002 0.000 0.251 143 N C -0.244 175.313 175.510 0.078 0.000 1.242 143 N CA 0.500 53.547 53.050 -0.005 0.000 0.898 143 N CB 0.321 38.711 38.487 -0.162 0.000 1.100 143 N HN 0.114 nan 8.380 nan 0.000 0.443 144 H N 1.504 120.522 119.070 -0.087 0.000 2.854 144 H HA 0.460 5.017 4.556 0.002 0.000 0.275 144 H C -1.053 174.196 175.328 -0.131 0.000 1.198 144 H CA -0.398 55.595 56.048 -0.092 0.000 1.489 144 H CB -0.224 29.488 29.762 -0.083 0.000 1.519 144 H HN 0.426 nan 8.280 nan 0.000 0.503 145 I N 6.803 127.209 120.570 -0.272 0.000 2.464 145 I HA 0.347 4.518 4.170 0.002 0.000 0.277 145 I C -0.733 175.251 176.117 -0.221 0.000 1.040 145 I CA -0.883 60.292 61.300 -0.209 0.000 1.153 145 I CB 0.868 38.795 38.000 -0.122 0.000 1.274 145 I HN 0.310 nan 8.210 nan 0.000 0.469 146 V N 2.892 122.648 119.914 -0.264 0.000 3.188 146 V HA 0.584 4.705 4.120 0.002 0.000 0.305 146 V C 0.161 176.191 176.094 -0.107 0.000 1.232 146 V CA -1.226 60.952 62.300 -0.203 0.000 1.043 146 V CB 2.050 33.684 31.823 -0.316 0.000 1.068 146 V HN 0.609 nan 8.190 nan 0.000 0.439 147 L N 0.414 121.599 121.223 -0.064 0.000 3.660 147 L HA -0.160 4.181 4.340 0.002 0.000 0.440 147 L C 0.057 176.915 176.870 -0.020 0.000 1.262 147 L CA 0.586 55.409 54.840 -0.029 0.000 0.837 147 L CB -1.930 40.124 42.059 -0.009 0.000 1.689 147 L HN 0.935 nan 8.230 nan 0.000 0.890 148 N N 0.076 118.764 118.700 -0.020 0.000 2.471 148 N HA 0.233 4.974 4.740 0.002 0.000 0.288 148 N C 0.866 176.372 175.510 -0.008 0.000 1.220 148 N CA -0.745 52.300 53.050 -0.008 0.000 0.893 148 N CB 1.424 39.915 38.487 0.007 0.000 1.256 148 N HN 0.113 nan 8.380 nan 0.000 0.534 149 K N 0.555 120.953 120.400 -0.004 0.000 2.113 149 K HA -0.241 4.081 4.320 0.002 0.000 0.208 149 K C 0.872 177.465 176.600 -0.013 0.000 1.047 149 K CA 1.818 58.101 56.287 -0.007 0.000 0.928 149 K CB -0.104 32.394 32.500 -0.002 0.000 0.716 149 K HN 0.535 nan 8.250 nan 0.000 0.446 150 D N 0.521 120.917 120.400 -0.008 0.000 2.265 150 D HA -0.165 4.476 4.640 0.002 0.000 0.208 150 D C 0.988 177.279 176.300 -0.015 0.000 0.977 150 D CA 1.342 55.334 54.000 -0.014 0.000 0.871 150 D CB -0.032 40.770 40.800 0.003 0.000 0.925 150 D HN 0.243 nan 8.370 nan 0.000 0.485 151 D N -0.769 119.622 120.400 -0.014 0.000 2.264 151 D HA -0.008 4.633 4.640 0.002 0.000 0.208 151 D C 0.413 176.704 176.300 -0.016 0.000 0.966 151 D CA 0.620 54.610 54.000 -0.016 0.000 0.864 151 D CB -0.070 40.719 40.800 -0.019 0.000 0.933 151 D HN 0.427 nan 8.370 nan 0.000 0.499 152 N N -0.492 118.197 118.700 -0.017 0.000 2.717 152 N HA 0.295 5.037 4.740 0.002 0.000 0.314 152 N C 0.171 175.668 175.510 -0.022 0.000 1.324 152 N CA -0.534 52.506 53.050 -0.017 0.000 0.902 152 N CB 0.615 39.092 38.487 -0.016 0.000 1.126 152 N HN -0.269 nan 8.380 nan 0.000 0.579 153 E N -0.202 119.984 120.200 -0.023 0.000 2.603 153 E HA 0.133 4.485 4.350 0.002 0.000 0.211 153 E C -0.764 175.817 176.600 -0.032 0.000 0.995 153 E CA 0.138 56.522 56.400 -0.026 0.000 0.990 153 E CB 0.594 30.281 29.700 -0.022 0.000 1.036 153 E HN 0.420 nan 8.360 nan 0.000 0.475 154 E N -0.622 119.558 120.200 -0.033 0.000 2.995 154 E HA 0.132 4.483 4.350 0.002 0.000 0.203 154 E C 0.349 176.921 176.600 -0.046 0.000 0.980 154 E CA -0.082 56.296 56.400 -0.036 0.000 1.172 154 E CB 0.180 29.865 29.700 -0.025 0.000 1.088 154 E HN 0.145 nan 8.360 nan 0.000 0.463 155 c N 0.154 118.715 118.600 -0.064 0.000 2.440 155 c HA -0.029 4.542 4.570 0.002 0.000 0.278 155 c C 1.930 175.950 174.090 -0.117 0.000 1.295 155 c CA 1.492 57.767 56.329 -0.091 0.000 1.738 155 c CB -0.933 41.503 42.510 -0.124 0.000 1.987 155 c HN 0.857 nan 8.230 nan 0.000 0.492 156 G N 1.298 110.026 108.800 -0.120 0.000 2.221 156 G HA2 -0.189 3.772 3.960 0.002 0.000 0.265 156 G HA3 -0.189 3.772 3.960 0.002 0.000 0.265 156 G C -0.494 174.282 174.900 -0.205 0.000 1.041 156 G CA 0.450 45.475 45.100 -0.125 0.000 0.807 156 G HN 0.559 nan 8.290 nan 0.000 0.502 157 D N -0.347 119.862 120.400 -0.318 0.000 2.455 157 D HA 0.411 5.052 4.640 0.002 0.000 0.241 157 D C 0.668 176.798 176.300 -0.285 0.000 1.138 157 D CA 0.613 54.273 54.000 -0.567 0.000 0.877 157 D CB 1.329 41.774 40.800 -0.591 0.000 1.187 157 D HN 0.527 nan 8.370 nan 0.000 0.451 158 I N 1.825 122.291 120.570 -0.174 0.000 2.610 158 I HA 0.235 4.406 4.170 0.002 0.000 0.289 158 I C -1.274 174.901 176.117 0.097 0.000 1.163 158 I CA -0.454 60.786 61.300 -0.100 0.000 1.044 158 I CB 1.056 38.864 38.000 -0.320 0.000 1.251 158 I HN 0.314 nan 8.210 nan 0.000 0.424 159 c N 7.152 125.845 118.600 0.154 0.000 2.358 159 c HA 0.575 5.146 4.570 0.002 0.000 0.354 159 c C -2.352 171.899 174.090 0.268 0.000 1.183 159 c CA -1.106 55.368 56.329 0.241 0.000 2.150 159 c CB 1.351 43.958 42.510 0.163 0.000 2.361 159 c HN 0.517 nan 8.230 nan 0.000 0.535 160 P HA 0.179 nan 4.420 nan 0.000 0.261 160 P C 0.756 178.108 177.300 0.087 0.000 1.173 160 P CA 2.013 65.176 63.100 0.105 0.000 0.760 160 P CB 0.079 31.791 31.700 0.020 0.000 0.783 161 G N 2.203 111.045 108.800 0.070 0.000 2.234 161 G HA2 -0.300 3.661 3.960 0.002 0.000 0.235 161 G HA3 -0.300 3.661 3.960 0.002 0.000 0.235 161 G C 1.288 176.234 174.900 0.077 0.000 0.997 161 G CA 0.519 45.654 45.100 0.058 0.000 0.623 161 G HN 0.453 nan 8.290 nan 0.000 0.514 162 T N 1.291 115.914 114.554 0.116 0.000 2.746 162 T HA 0.137 4.488 4.350 0.002 0.000 0.267 162 T C 2.778 177.519 174.700 0.068 0.000 1.039 162 T CA 2.554 64.705 62.100 0.085 0.000 1.142 162 T CB -0.475 68.438 68.868 0.075 0.000 0.866 162 T HN 1.220 nan 8.240 nan 0.000 0.444 163 A N 1.806 124.684 122.820 0.097 0.000 1.940 163 A HA -0.133 4.189 4.320 0.002 0.000 0.219 163 A C 2.011 179.620 177.584 0.042 0.000 1.176 163 A CA 1.404 53.483 52.037 0.069 0.000 0.631 163 A CB -0.359 18.696 19.000 0.091 0.000 0.814 163 A HN 0.486 nan 8.150 nan 0.000 0.446 164 K N -1.197 119.227 120.400 0.039 0.000 2.476 164 K HA 0.261 4.583 4.320 0.002 0.000 0.196 164 K C 0.914 177.526 176.600 0.021 0.000 1.025 164 K CA 0.437 56.738 56.287 0.023 0.000 1.138 164 K CB -0.095 32.415 32.500 0.017 0.000 0.860 164 K HN 0.673 nan 8.250 nan 0.000 0.515 165 G N 2.076 110.891 108.800 0.024 0.000 2.143 165 G HA2 -0.288 3.674 3.960 0.002 0.000 0.249 165 G HA3 -0.288 3.674 3.960 0.002 0.000 0.249 165 G C -0.247 174.666 174.900 0.022 0.000 0.981 165 G CA 0.170 45.281 45.100 0.018 0.000 0.665 165 G HN 0.302 nan 8.290 nan 0.000 0.528 166 K N -0.174 120.245 120.400 0.031 0.000 2.208 166 K HA 0.639 4.960 4.320 0.002 0.000 0.247 166 K C -0.533 176.097 176.600 0.050 0.000 0.953 166 K CA -0.583 55.725 56.287 0.035 0.000 0.837 166 K CB 1.641 34.158 32.500 0.029 0.000 1.131 166 K HN 0.013 nan 8.250 nan 0.000 0.431 167 T N 2.211 116.799 114.554 0.055 0.000 3.149 167 T HA 0.129 4.480 4.350 0.002 0.000 0.373 167 T C 0.490 175.223 174.700 0.056 0.000 1.364 167 T CA -0.571 61.573 62.100 0.074 0.000 1.110 167 T CB 0.000 68.931 68.868 0.104 0.000 1.127 167 T HN 0.423 nan 8.240 nan 0.000 0.576 168 N N 0.720 119.448 118.700 0.048 0.000 2.381 168 N HA -0.029 4.712 4.740 0.002 0.000 0.182 168 N C 0.597 176.127 175.510 0.033 0.000 1.025 168 N CA 0.224 53.294 53.050 0.034 0.000 0.888 168 N CB -0.141 38.361 38.487 0.024 0.000 0.965 168 N HN 0.508 nan 8.380 nan 0.000 0.438 169 c N 1.860 120.483 118.600 0.038 0.000 2.459 169 c HA 0.271 4.843 4.570 0.002 0.000 0.374 169 c C -1.709 172.382 174.090 0.003 0.000 1.241 169 c CA -1.270 55.072 56.329 0.022 0.000 2.352 169 c CB 1.324 43.844 42.510 0.017 0.000 2.490 169 c HN 0.269 nan 8.230 nan 0.000 0.583 170 P HA 0.199 nan 4.420 nan 0.000 0.230 170 P C -0.061 177.193 177.300 -0.077 0.000 1.791 170 P CA 0.490 63.573 63.100 -0.027 0.000 1.020 170 P CB -0.418 31.270 31.700 -0.019 0.000 1.977 171 A N 1.796 124.563 122.820 -0.087 0.000 2.492 171 A HA 0.407 4.728 4.320 0.002 0.000 0.236 171 A C 0.583 178.053 177.584 -0.189 0.000 1.078 171 A CA 0.597 52.502 52.037 -0.220 0.000 0.773 171 A CB -0.116 18.777 19.000 -0.178 0.000 1.023 171 A HN 0.404 nan 8.150 nan 0.000 0.504 172 T N -0.528 113.836 114.554 -0.318 0.000 2.769 172 T HA 0.496 4.847 4.350 0.002 0.000 0.306 172 T C -1.499 173.094 174.700 -0.178 0.000 1.400 172 T CA -0.360 61.639 62.100 -0.169 0.000 1.007 172 T CB 1.131 69.922 68.868 -0.127 0.000 1.392 172 T HN 0.819 nan 8.240 nan 0.000 0.500 173 V N 3.905 123.795 119.914 -0.039 0.000 2.417 173 V HA 0.580 4.702 4.120 0.002 0.000 0.291 173 V C -0.536 175.554 176.094 -0.008 0.000 1.024 173 V CA -0.811 61.496 62.300 0.011 0.000 0.861 173 V CB 1.399 33.267 31.823 0.075 0.000 0.985 173 V HN 0.645 nan 8.190 nan 0.000 0.436 174 I N 5.282 125.845 120.570 -0.011 0.000 2.382 174 I HA 0.509 4.680 4.170 0.002 0.000 0.286 174 I C 0.442 176.566 176.117 0.012 0.000 1.002 174 I CA -0.139 61.158 61.300 -0.005 0.000 1.135 174 I CB 0.920 38.910 38.000 -0.015 0.000 1.288 174 I HN 0.757 nan 8.210 nan 0.000 0.448 175 N N 4.949 123.658 118.700 0.015 0.000 1.584 175 N HA -0.214 4.528 4.740 0.002 0.000 0.165 175 N C 1.132 176.657 175.510 0.025 0.000 0.759 175 N CA 2.090 55.151 53.050 0.019 0.000 1.144 175 N CB -1.220 37.279 38.487 0.020 0.000 1.365 175 N HN 0.817 nan 8.380 nan 0.000 0.454 176 G N -0.154 108.663 108.800 0.029 0.000 3.575 176 G HA2 0.301 4.262 3.960 0.002 0.000 0.273 176 G HA3 0.301 4.262 3.960 0.002 0.000 0.273 176 G C -0.203 174.729 174.900 0.054 0.000 1.053 176 G CA 0.145 45.267 45.100 0.037 0.000 0.803 176 G HN 0.386 nan 8.290 nan 0.000 0.528 177 Q N 0.530 120.362 119.800 0.053 0.000 2.314 177 Q HA 0.519 4.861 4.340 0.002 0.000 0.259 177 Q C -0.874 175.184 176.000 0.097 0.000 0.951 177 Q CA -0.986 54.860 55.803 0.071 0.000 0.909 177 Q CB 1.010 29.774 28.738 0.043 0.000 1.236 177 Q HN 0.171 nan 8.270 nan 0.000 0.444 178 F N 4.218 124.159 119.950 -0.014 0.000 2.529 178 F HA 0.374 4.903 4.527 0.002 0.000 0.365 178 F C -0.920 174.863 175.800 -0.028 0.000 1.102 178 F CA 0.140 58.129 58.000 -0.019 0.000 1.271 178 F CB 0.521 39.509 39.000 -0.020 0.000 1.120 178 F HN 0.303 nan 8.300 nan 0.000 0.579 179 V N 7.291 126.820 119.914 -0.641 0.000 2.567 179 V HA 0.118 4.240 4.120 0.002 0.000 0.298 179 V C 0.431 176.073 176.094 -0.754 0.000 1.047 179 V CA -0.721 61.280 62.300 -0.499 0.000 0.880 179 V CB 1.396 33.051 31.823 -0.279 0.000 1.009 179 V HN 0.903 nan 8.190 nan 0.000 0.429 180 E N 3.252 123.091 120.200 -0.600 0.000 2.216 180 E HA 0.085 4.436 4.350 0.002 0.000 0.192 180 E C 0.136 176.585 176.600 -0.252 0.000 0.988 180 E CA 0.247 56.385 56.400 -0.436 0.000 0.834 180 E CB 0.156 29.820 29.700 -0.061 0.000 0.772 180 E HN 0.592 nan 8.360 nan 0.000 0.479 181 R N -0.251 120.097 120.500 -0.253 0.000 2.920 181 R HA -0.136 4.205 4.340 0.002 0.000 0.282 181 R C -1.048 175.153 176.300 -0.165 0.000 0.954 181 R CA 0.515 56.471 56.100 -0.240 0.000 0.659 181 R CB -2.945 27.240 30.300 -0.192 0.000 1.559 181 R HN 0.369 nan 8.270 nan 0.000 0.443 182 c N -2.675 115.815 118.600 -0.184 0.000 3.173 182 c HA 0.733 5.304 4.570 0.002 0.000 0.310 182 c C 0.876 174.876 174.090 -0.150 0.000 1.306 182 c CA -0.938 55.350 56.329 -0.068 0.000 1.426 182 c CB 1.381 43.940 42.510 0.083 0.000 1.800 182 c HN 0.705 nan 8.230 nan 0.000 0.470 183 W N 1.445 122.755 121.300 0.017 0.000 2.699 183 W HA 0.322 4.983 4.660 0.002 0.000 0.265 183 W C 1.480 177.867 176.519 -0.220 0.000 1.210 183 W CA 1.157 58.487 57.345 -0.026 0.000 1.414 183 W CB 0.113 29.582 29.460 0.014 0.000 1.043 183 W HN 1.066 nan 8.180 nan 0.000 0.599 184 T N -5.463 109.038 114.554 -0.088 0.000 2.754 184 T HA 0.189 4.540 4.350 0.002 0.000 0.296 184 T C 0.414 174.960 174.700 -0.257 0.000 1.205 184 T CA -0.530 61.245 62.100 -0.542 0.000 1.009 184 T CB 1.573 70.339 68.868 -0.169 0.000 1.368 184 T HN 0.164 nan 8.240 nan 0.000 0.509 185 H N 0.170 119.060 119.070 -0.301 0.000 2.489 185 H HA -0.043 4.514 4.556 0.002 0.000 0.295 185 H C 1.488 176.767 175.328 -0.081 0.000 1.082 185 H CA 1.456 57.485 56.048 -0.033 0.000 1.295 185 H CB 0.229 30.013 29.762 0.037 0.000 1.380 185 H HN 0.648 nan 8.280 nan 0.000 0.548 186 S N -0.910 114.703 115.700 -0.145 0.000 2.650 186 S HA 0.128 4.599 4.470 0.002 0.000 0.240 186 S C -0.321 173.970 174.600 -0.515 0.000 1.007 186 S CA -0.739 57.248 58.200 -0.355 0.000 0.984 186 S CB 0.325 63.254 63.200 -0.451 0.000 0.910 186 S HN 0.290 nan 8.310 nan 0.000 0.509 187 H N 0.457 119.457 119.070 -0.117 0.000 2.924 187 H HA 0.396 4.953 4.556 0.002 0.000 0.333 187 H C -0.594 174.771 175.328 0.062 0.000 0.979 187 H CA -0.848 55.131 56.048 -0.115 0.000 1.326 187 H CB 1.131 30.716 29.762 -0.295 0.000 1.600 187 H HN 0.225 nan 8.280 nan 0.000 0.520 188 c N 2.023 120.729 118.600 0.177 0.000 2.656 188 c HA 0.071 4.642 4.570 0.002 0.000 0.391 188 c C 1.118 175.391 174.090 0.306 0.000 1.300 188 c CA -0.231 56.201 56.329 0.172 0.000 2.302 188 c CB 0.398 42.967 42.510 0.098 0.000 2.655 188 c HN 0.719 nan 8.230 nan 0.000 0.656 189 Q N 1.557 121.476 119.800 0.198 0.000 2.304 189 Q HA 0.221 4.563 4.340 0.002 0.000 0.260 189 Q C -0.165 175.930 176.000 0.159 0.000 0.965 189 Q CA -0.076 55.867 55.803 0.234 0.000 0.898 189 Q CB 0.510 29.197 28.738 -0.085 0.000 1.196 189 Q HN 0.628 nan 8.270 nan 0.000 0.402 190 K N 2.349 122.867 120.400 0.197 0.000 2.298 190 K HA 0.359 4.680 4.320 0.002 0.000 0.280 190 K C -1.444 175.203 176.600 0.078 0.000 1.032 190 K CA -0.351 56.009 56.287 0.122 0.000 0.958 190 K CB 0.884 33.456 32.500 0.119 0.000 0.978 190 K HN 0.415 nan 8.250 nan 0.000 0.472 191 V N 4.180 124.125 119.914 0.052 0.000 2.925 191 V HA 0.405 4.527 4.120 0.002 0.000 0.311 191 V C -0.851 175.261 176.094 0.031 0.000 1.104 191 V CA -0.914 61.404 62.300 0.030 0.000 0.954 191 V CB 1.959 33.788 31.823 0.009 0.000 1.022 191 V HN 0.982 nan 8.190 nan 0.000 0.427 192 c N 3.485 122.100 118.600 0.026 0.000 2.719 192 c HA 0.671 5.242 4.570 0.002 0.000 0.327 192 c C -2.341 171.762 174.090 0.021 0.000 1.238 192 c CA -1.221 55.125 56.329 0.028 0.000 1.727 192 c CB 1.741 44.271 42.510 0.033 0.000 2.256 192 c HN 0.724 nan 8.230 nan 0.000 0.489 193 P HA 0.105 nan 4.420 nan 0.000 0.267 193 P C 0.697 178.008 177.300 0.018 0.000 1.201 193 P CA 0.449 63.562 63.100 0.021 0.000 0.775 193 P CB 0.393 32.108 31.700 0.025 0.000 0.854 194 T N 1.630 116.192 114.554 0.013 0.000 2.803 194 T HA -0.158 4.193 4.350 0.002 0.000 0.269 194 T C 1.622 176.330 174.700 0.014 0.000 1.052 194 T CA 1.581 63.687 62.100 0.009 0.000 1.136 194 T CB -0.836 68.036 68.868 0.008 0.000 0.864 194 T HN 0.546 nan 8.240 nan 0.000 0.467 195 I N -0.477 120.107 120.570 0.023 0.000 2.423 195 I HA -0.109 4.063 4.170 0.002 0.000 0.254 195 I C 2.104 178.256 176.117 0.057 0.000 1.151 195 I CA 1.067 62.388 61.300 0.034 0.000 1.421 195 I CB -1.037 36.982 38.000 0.032 0.000 1.079 195 I HN 0.180 nan 8.210 nan 0.000 0.431 196 c N 0.894 119.527 118.600 0.055 0.000 2.481 196 c HA 0.124 4.695 4.570 0.002 0.000 0.275 196 c C 1.681 175.787 174.090 0.027 0.000 1.419 196 c CA 0.023 56.406 56.329 0.091 0.000 1.773 196 c CB -1.559 40.995 42.510 0.073 0.000 1.862 196 c HN 0.627 nan 8.230 nan 0.000 0.530 197 K N 0.404 120.780 120.400 -0.040 0.000 1.779 197 K HA -0.311 4.011 4.320 0.002 0.000 0.128 197 K C 1.115 177.595 176.600 -0.199 0.000 1.288 197 K CA 1.800 58.000 56.287 -0.146 0.000 0.398 197 K CB -1.651 30.704 32.500 -0.242 0.000 0.609 197 K HN 0.502 nan 8.250 nan 0.000 0.874 198 S N 0.818 116.299 115.700 -0.367 0.000 2.605 198 S HA 0.084 4.555 4.470 0.002 0.000 0.217 198 S C 1.142 175.617 174.600 -0.207 0.000 0.958 198 S CA 0.020 58.078 58.200 -0.237 0.000 0.919 198 S CB -0.134 62.962 63.200 -0.173 0.000 0.780 198 S HN 0.416 nan 8.310 nan 0.000 0.507 199 H N 1.999 121.085 119.070 0.028 0.000 2.502 199 H HA 0.309 4.867 4.556 0.002 0.000 0.283 199 H C 1.653 177.004 175.328 0.039 0.000 1.015 199 H CA 0.670 56.739 56.048 0.034 0.000 1.298 199 H CB -0.637 29.141 29.762 0.027 0.000 1.411 199 H HN 0.667 nan 8.280 nan 0.000 0.556 200 G N 0.061 108.926 108.800 0.108 0.000 2.756 200 G HA2 -0.106 3.856 3.960 0.002 0.000 0.678 200 G HA3 -0.106 3.856 3.960 0.002 0.000 0.678 200 G C -0.215 174.740 174.900 0.091 0.000 1.349 200 G CA -0.587 44.564 45.100 0.086 0.000 0.847 200 G HN 0.784 nan 8.290 nan 0.000 0.548 201 c N -1.874 116.768 118.600 0.070 0.000 3.318 201 c HA 0.979 5.550 4.570 0.002 0.000 0.322 201 c C 0.800 174.923 174.090 0.055 0.000 1.398 201 c CA 0.261 56.628 56.329 0.064 0.000 1.339 201 c CB 1.200 43.743 42.510 0.055 0.000 1.668 201 c HN 2.263 nan 8.230 nan 0.000 0.462 202 T N -0.744 113.840 114.554 0.050 0.000 2.732 202 T HA 0.502 4.854 4.350 0.002 0.000 0.287 202 T C 1.365 176.090 174.700 0.042 0.000 0.993 202 T CA 0.331 62.458 62.100 0.044 0.000 0.966 202 T CB 0.516 69.407 68.868 0.040 0.000 1.047 202 T HN 1.920 nan 8.240 nan 0.000 0.527 203 A N 0.101 122.945 122.820 0.040 0.000 2.019 203 A HA -0.031 4.290 4.320 0.002 0.000 0.219 203 A C 1.945 179.549 177.584 0.034 0.000 1.164 203 A CA 1.465 53.525 52.037 0.039 0.000 0.644 203 A CB -0.952 18.071 19.000 0.037 0.000 0.805 203 A HN 0.892 nan 8.150 nan 0.000 0.449 204 E N -1.316 118.903 120.200 0.032 0.000 2.476 204 E HA 0.337 4.689 4.350 0.002 0.000 0.191 204 E C 1.112 177.730 176.600 0.029 0.000 1.064 204 E CA 0.649 57.066 56.400 0.028 0.000 0.866 204 E CB -0.099 29.616 29.700 0.025 0.000 0.952 204 E HN 0.711 nan 8.360 nan 0.000 0.492 205 G N 0.384 109.204 108.800 0.033 0.000 2.157 205 G HA2 -0.281 3.680 3.960 0.002 0.000 0.248 205 G HA3 -0.281 3.680 3.960 0.002 0.000 0.248 205 G C 0.000 174.922 174.900 0.036 0.000 0.979 205 G CA -0.154 44.966 45.100 0.033 0.000 0.650 205 G HN 0.227 nan 8.290 nan 0.000 0.529 206 L N 1.130 122.375 121.223 0.037 0.000 2.290 206 L HA 0.378 4.719 4.340 0.002 0.000 0.284 206 L C 1.276 178.175 176.870 0.048 0.000 1.078 206 L CA -1.093 53.770 54.840 0.039 0.000 0.815 206 L CB 1.040 43.120 42.059 0.036 0.000 1.162 206 L HN 0.184 nan 8.230 nan 0.000 0.435 207 c N 2.520 121.151 118.600 0.051 0.000 2.596 207 c HA 0.011 4.583 4.570 0.002 0.000 0.414 207 c C 1.133 175.265 174.090 0.070 0.000 1.396 207 c CA -0.836 55.532 56.329 0.065 0.000 1.698 207 c CB -1.011 41.535 42.510 0.060 0.000 2.572 207 c HN 0.811 nan 8.230 nan 0.000 0.604 208 c N 4.251 122.907 118.600 0.093 0.000 2.700 208 c HA 0.088 4.659 4.570 0.002 0.000 0.397 208 c C 1.186 175.325 174.090 0.082 0.000 1.301 208 c CA -0.277 56.115 56.329 0.105 0.000 2.219 208 c CB -0.484 42.102 42.510 0.127 0.000 2.699 208 c HN 0.836 nan 8.230 nan 0.000 0.669 209 H N 1.310 120.367 119.070 -0.021 0.000 2.929 209 H HA -0.020 4.537 4.556 0.002 0.000 0.358 209 H C 1.389 176.563 175.328 -0.258 0.000 1.111 209 H CA 1.344 57.337 56.048 -0.092 0.000 1.409 209 H CB 0.955 30.687 29.762 -0.050 0.000 1.373 209 H HN 0.855 nan 8.280 nan 0.000 0.610 210 S N 2.566 117.760 115.700 -0.843 0.000 2.474 210 S HA -0.090 4.381 4.470 0.002 0.000 0.235 210 S C 1.203 175.554 174.600 -0.416 0.000 0.997 210 S CA 0.711 58.267 58.200 -1.073 0.000 0.949 210 S CB 0.159 62.914 63.200 -0.741 0.000 0.766 210 S HN 0.600 nan 8.310 nan 0.000 0.517 211 E N 0.350 120.599 120.200 0.082 0.000 2.442 211 E HA 0.196 4.547 4.350 0.002 0.000 0.195 211 E C 0.727 177.435 176.600 0.181 0.000 1.030 211 E CA -0.191 56.331 56.400 0.202 0.000 0.869 211 E CB -0.184 29.676 29.700 0.267 0.000 0.857 211 E HN 0.568 nan 8.360 nan 0.000 0.505 212 C N 0.909 120.315 119.300 0.176 0.000 2.595 212 C HA 0.416 4.878 4.460 0.002 0.000 0.384 212 C C -0.043 175.075 174.990 0.213 0.000 1.289 212 C CA -0.621 58.498 59.018 0.169 0.000 2.372 212 C CB -0.215 27.618 27.740 0.155 0.000 2.593 212 C HN 0.227 nan 8.230 nan 0.000 0.639 213 L N 5.003 126.313 121.223 0.145 0.000 2.406 213 L HA 0.691 5.032 4.340 0.002 0.000 0.270 213 L C 0.662 177.575 176.870 0.072 0.000 0.982 213 L CA 1.438 56.345 54.840 0.110 0.000 0.843 213 L CB 0.984 43.087 42.059 0.072 0.000 1.225 213 L HN 1.151 nan 8.230 nan 0.000 0.412 214 G N 3.666 112.504 108.800 0.065 0.000 2.579 214 G HA2 -0.277 3.684 3.960 0.002 0.000 0.222 214 G HA3 -0.277 3.684 3.960 0.002 0.000 0.222 214 G C 0.165 175.093 174.900 0.046 0.000 1.201 214 G CA 0.335 45.460 45.100 0.042 0.000 0.710 214 G HN 0.858 nan 8.290 nan 0.000 0.516 215 N N -0.869 117.862 118.700 0.051 0.000 3.043 215 N HA 0.588 5.329 4.740 0.002 0.000 0.243 215 N C -0.704 174.837 175.510 0.053 0.000 1.347 215 N CA 0.358 53.436 53.050 0.047 0.000 0.896 215 N CB 1.296 39.797 38.487 0.023 0.000 1.501 215 N HN 1.294 nan 8.380 nan 0.000 0.504 216 c N -0.159 118.472 118.600 0.052 0.000 3.173 216 c HA 0.681 5.252 4.570 0.002 0.000 0.310 216 c C 1.638 175.753 174.090 0.041 0.000 1.306 216 c CA -0.117 56.243 56.329 0.051 0.000 1.426 216 c CB 0.952 43.501 42.510 0.064 0.000 1.800 216 c HN 0.750 nan 8.230 nan 0.000 0.470 217 S N 0.240 115.961 115.700 0.036 0.000 2.470 217 S HA 0.120 4.591 4.470 0.002 0.000 0.225 217 S C 0.329 174.948 174.600 0.033 0.000 1.006 217 S CA 0.479 58.698 58.200 0.032 0.000 0.934 217 S CB -0.310 62.907 63.200 0.027 0.000 0.778 217 S HN 0.905 nan 8.310 nan 0.000 0.517 218 Q N 0.894 120.716 119.800 0.036 0.000 2.418 218 Q HA 0.502 4.844 4.340 0.002 0.000 0.282 218 Q C -3.105 172.922 176.000 0.045 0.000 1.044 218 Q CA -2.463 53.361 55.803 0.036 0.000 0.813 218 Q CB 2.531 31.287 28.738 0.029 0.000 1.428 218 Q HN 0.140 nan 8.270 nan 0.000 0.402 219 P HA -0.013 nan 4.420 nan 0.000 0.274 219 P C -0.304 177.035 177.300 0.066 0.000 1.231 219 P CA 0.148 63.282 63.100 0.056 0.000 0.790 219 P CB 0.524 32.252 31.700 0.047 0.000 0.951 220 D N -0.086 120.369 120.400 0.092 0.000 2.704 220 D HA -0.208 4.433 4.640 0.002 0.000 0.232 220 D C -0.946 175.433 176.300 0.131 0.000 1.183 220 D CA 1.207 55.288 54.000 0.135 0.000 0.647 220 D CB -1.501 39.351 40.800 0.086 0.000 1.013 220 D HN 0.360 nan 8.370 nan 0.000 0.415 221 D N -0.377 120.073 120.400 0.083 0.000 2.763 221 D HA 0.228 4.869 4.640 0.002 0.000 0.235 221 D C -2.300 173.925 176.300 -0.125 0.000 1.334 221 D CA -1.455 52.522 54.000 -0.039 0.000 0.950 221 D CB 1.741 42.536 40.800 -0.009 0.000 1.433 221 D HN -0.038 nan 8.370 nan 0.000 0.580 222 P HA 0.044 nan 4.420 nan 0.000 0.249 222 P C 0.834 178.068 177.300 -0.110 0.000 1.241 222 P CA 0.372 63.292 63.100 -0.300 0.000 0.781 222 P CB -0.051 31.316 31.700 -0.556 0.000 1.088 223 T N -4.595 109.914 114.554 -0.074 0.000 3.105 223 T HA 0.231 4.582 4.350 0.002 0.000 0.253 223 T C 1.080 175.790 174.700 0.018 0.000 1.047 223 T CA -0.059 62.033 62.100 -0.013 0.000 0.944 223 T CB -0.181 68.674 68.868 -0.021 0.000 1.016 223 T HN -0.136 nan 8.240 nan 0.000 0.544 224 K N 0.762 121.170 120.400 0.014 0.000 2.506 224 K HA 0.325 4.646 4.320 0.002 0.000 0.204 224 K C -0.131 176.495 176.600 0.043 0.000 1.045 224 K CA -0.310 55.994 56.287 0.029 0.000 1.074 224 K CB -0.015 32.499 32.500 0.024 0.000 0.842 224 K HN 0.391 nan 8.250 nan 0.000 0.514 225 C N 1.073 120.405 119.300 0.054 0.000 2.601 225 C HA 0.120 4.581 4.460 0.002 0.000 0.409 225 C C 2.478 177.501 174.990 0.055 0.000 1.293 225 C CA -0.712 58.346 59.018 0.067 0.000 2.101 225 C CB 0.558 28.352 27.740 0.090 0.000 2.639 225 C HN 0.170 nan 8.230 nan 0.000 0.592 226 V N 2.226 122.164 119.914 0.041 0.000 2.379 226 V HA 0.029 4.151 4.120 0.002 0.000 0.245 226 V C 1.141 177.239 176.094 0.006 0.000 1.044 226 V CA 2.232 64.541 62.300 0.014 0.000 1.036 226 V CB -0.620 31.204 31.823 0.001 0.000 0.664 226 V HN 1.041 nan 8.190 nan 0.000 0.453 227 A N -2.136 120.701 122.820 0.029 0.000 2.594 227 A HA 0.618 4.940 4.320 0.002 0.000 0.291 227 A C -1.150 176.483 177.584 0.082 0.000 1.105 227 A CA -0.438 51.617 52.037 0.031 0.000 0.694 227 A CB 1.341 20.333 19.000 -0.012 0.000 1.291 227 A HN 0.180 nan 8.150 nan 0.000 0.410 228 c N 0.537 119.204 118.600 0.112 0.000 2.358 228 c HA 0.531 5.102 4.570 0.002 0.000 0.342 228 c C 2.039 176.185 174.090 0.093 0.000 1.234 228 c CA -0.453 55.958 56.329 0.136 0.000 1.969 228 c CB 1.002 43.632 42.510 0.200 0.000 2.346 228 c HN 1.112 nan 8.230 nan 0.000 0.525 229 R N 1.762 122.324 120.500 0.103 0.000 2.066 229 R HA -0.078 4.263 4.340 0.002 0.000 0.232 229 R C 1.332 177.632 176.300 0.001 0.000 1.131 229 R CA 1.642 57.790 56.100 0.080 0.000 0.955 229 R CB 0.036 30.423 30.300 0.144 0.000 0.851 229 R HN 0.764 nan 8.270 nan 0.000 0.432 230 N N -1.391 117.304 118.700 -0.008 0.000 2.683 230 N HA 0.131 4.872 4.740 0.002 0.000 0.220 230 N C -0.307 174.897 175.510 -0.510 0.000 1.163 230 N CA 0.505 53.448 53.050 -0.177 0.000 1.149 230 N CB 0.095 38.660 38.487 0.131 0.000 1.495 230 N HN -0.086 nan 8.380 nan 0.000 0.550 231 F N -0.649 119.389 119.950 0.147 0.000 2.611 231 F HA 0.391 4.919 4.527 0.002 0.000 0.324 231 F C -0.618 175.245 175.800 0.104 0.000 1.061 231 F CA -0.988 57.084 58.000 0.121 0.000 0.954 231 F CB 1.380 40.424 39.000 0.072 0.000 1.301 231 F HN 0.042 nan 8.300 nan 0.000 0.482 232 Y N 2.550 122.906 120.300 0.093 0.000 2.364 232 Y HA 0.751 5.302 4.550 0.002 0.000 0.340 232 Y C -1.833 173.983 175.900 -0.140 0.000 0.975 232 Y CA -1.297 56.798 58.100 -0.008 0.000 1.089 232 Y CB 1.486 39.962 38.460 0.026 0.000 1.192 232 Y HN 0.568 nan 8.280 nan 0.000 0.454 233 L N 6.104 126.713 121.223 -1.024 0.000 2.526 233 L HA 0.428 4.770 4.340 0.002 0.000 0.263 233 L C -1.191 175.158 176.870 -0.867 0.000 0.943 233 L CA -0.410 53.858 54.840 -0.953 0.000 0.859 233 L CB 1.784 43.492 42.059 -0.585 0.000 1.313 233 L HN 0.809 nan 8.230 nan 0.000 0.406 234 D N 4.655 124.633 120.400 -0.704 0.000 2.735 234 D HA -0.157 4.484 4.640 0.002 0.000 0.235 234 D C 1.087 177.237 176.300 -0.250 0.000 1.175 234 D CA 1.840 55.635 54.000 -0.341 0.000 0.683 234 D CB -0.873 39.788 40.800 -0.232 0.000 1.008 234 D HN 1.339 nan 8.370 nan 0.000 0.416 235 G N 0.078 108.770 108.800 -0.180 0.000 2.179 235 G HA2 -0.365 3.597 3.960 0.002 0.000 0.257 235 G HA3 -0.365 3.597 3.960 0.002 0.000 0.257 235 G C 0.320 175.232 174.900 0.020 0.000 1.010 235 G CA 0.763 45.914 45.100 0.086 0.000 0.736 235 G HN 0.730 nan 8.290 nan 0.000 0.513 236 R N -1.212 119.195 120.500 -0.155 0.000 2.651 236 R HA 0.561 4.902 4.340 0.002 0.000 0.278 236 R C -0.601 175.663 176.300 -0.059 0.000 1.010 236 R CA -0.577 55.470 56.100 -0.088 0.000 0.896 236 R CB 1.075 31.297 30.300 -0.132 0.000 1.211 236 R HN 0.185 nan 8.270 nan 0.000 0.456 237 c N 4.383 123.003 118.600 0.033 0.000 2.325 237 c HA 0.535 5.106 4.570 0.002 0.000 0.347 237 c C 0.072 174.192 174.090 0.050 0.000 1.263 237 c CA -0.568 55.815 56.329 0.090 0.000 1.806 237 c CB 0.043 42.628 42.510 0.124 0.000 2.405 237 c HN 0.487 nan 8.230 nan 0.000 0.537 238 V N 1.784 121.748 119.914 0.084 0.000 2.823 238 V HA 0.500 4.622 4.120 0.002 0.000 0.312 238 V C 0.612 176.826 176.094 0.199 0.000 1.072 238 V CA -0.532 61.826 62.300 0.095 0.000 0.937 238 V CB 1.673 33.513 31.823 0.028 0.000 1.013 238 V HN 0.886 nan 8.190 nan 0.000 0.430 239 E N 2.681 122.986 120.200 0.175 0.000 2.077 239 E HA -0.069 4.282 4.350 0.002 0.000 0.193 239 E C 0.794 177.581 176.600 0.311 0.000 0.989 239 E CA 1.851 58.383 56.400 0.219 0.000 0.800 239 E CB 0.152 29.937 29.700 0.143 0.000 0.746 239 E HN 1.046 nan 8.360 nan 0.000 0.452 240 T N -2.545 112.127 114.554 0.196 0.000 2.903 240 T HA 0.425 4.777 4.350 0.002 0.000 0.299 240 T C -0.453 174.223 174.700 -0.039 0.000 1.093 240 T CA -1.047 61.141 62.100 0.147 0.000 1.002 240 T CB 1.378 70.321 68.868 0.125 0.000 1.127 240 T HN 0.061 nan 8.240 nan 0.000 0.488 241 c N 4.390 122.788 118.600 -0.338 0.000 2.632 241 c HA 0.504 5.075 4.570 0.002 0.000 0.415 241 c C -1.305 172.620 174.090 -0.276 0.000 1.332 241 c CA -0.508 55.529 56.329 -0.487 0.000 1.874 241 c CB -0.546 41.372 42.510 -0.986 0.000 2.596 241 c HN 0.736 nan 8.230 nan 0.000 0.590 242 P HA 0.403 nan 4.420 nan 0.000 0.280 242 P C -2.861 174.374 177.300 -0.109 0.000 1.272 242 P CA -1.740 61.304 63.100 -0.093 0.000 0.819 242 P CB 0.071 31.745 31.700 -0.043 0.000 1.122 243 P HA 0.157 nan 4.420 nan 0.000 0.271 243 P C -1.780 175.353 177.300 -0.279 0.000 1.218 243 P CA -0.889 62.071 63.100 -0.234 0.000 0.780 243 P CB -0.748 30.843 31.700 -0.182 0.000 0.901 244 P HA 0.177 nan 4.420 nan 0.000 0.248 244 P C -0.985 175.920 177.300 -0.659 0.000 1.708 244 P CA -0.159 62.638 63.100 -0.505 0.000 1.062 244 P CB -0.057 31.387 31.700 -0.428 0.000 1.562 245 Y N -0.125 119.931 120.300 -0.408 0.000 2.376 245 Y HA 0.388 4.939 4.550 0.002 0.000 0.325 245 Y C 0.637 176.144 175.900 -0.654 0.000 1.199 245 Y CA -0.726 57.121 58.100 -0.421 0.000 1.206 245 Y CB 0.960 39.226 38.460 -0.322 0.000 1.229 245 Y HN -0.090 nan 8.280 nan 0.000 0.480 246 Y N -0.559 119.730 120.300 -0.018 0.000 2.446 246 Y HA 0.337 4.888 4.550 0.002 0.000 0.338 246 Y C -0.422 175.374 175.900 -0.174 0.000 1.055 246 Y CA -1.225 56.826 58.100 -0.082 0.000 1.101 246 Y CB 0.766 39.262 38.460 0.060 0.000 1.221 246 Y HN 0.518 nan 8.280 nan 0.000 0.460 247 H N 2.099 121.204 119.070 0.058 0.000 2.899 247 H HA 0.196 4.754 4.556 0.002 0.000 0.303 247 H C -1.165 174.305 175.328 0.237 0.000 1.042 247 H CA 0.270 56.291 56.048 -0.045 0.000 1.479 247 H CB 0.127 29.738 29.762 -0.252 0.000 1.493 247 H HN 0.450 nan 8.280 nan 0.000 0.534 248 F N 2.721 122.763 119.950 0.153 0.000 2.529 248 F HA 0.198 4.726 4.527 0.002 0.000 0.320 248 F C -0.153 175.764 175.800 0.194 0.000 1.118 248 F CA -0.922 57.158 58.000 0.135 0.000 0.915 248 F CB 1.440 40.429 39.000 -0.018 0.000 1.161 248 F HN 0.535 nan 8.300 nan 0.000 0.445 249 Q N 3.659 123.198 119.800 -0.435 0.000 2.461 249 Q HA -0.320 4.022 4.340 0.002 0.000 0.273 249 Q C 0.237 176.348 176.000 0.185 0.000 1.163 249 Q CA 1.496 57.184 55.803 -0.192 0.000 0.929 249 Q CB -1.615 27.020 28.738 -0.171 0.000 1.334 249 Q HN 0.985 nan 8.270 nan 0.000 0.499 250 D N -1.890 118.655 120.400 0.241 0.000 2.882 250 D HA -0.204 4.438 4.640 0.002 0.000 0.229 250 D C 0.517 176.905 176.300 0.146 0.000 1.167 250 D CA 1.796 55.967 54.000 0.286 0.000 0.759 250 D CB -0.791 40.095 40.800 0.143 0.000 1.088 250 D HN 0.804 nan 8.370 nan 0.000 0.425 251 W N -0.550 120.782 121.300 0.053 0.000 1.868 251 W HA 0.202 4.863 4.660 0.002 0.000 0.203 251 W C 0.038 176.699 176.519 0.236 0.000 0.857 251 W CA 0.159 57.464 57.345 -0.067 0.000 0.992 251 W CB -0.152 29.273 29.460 -0.058 0.000 0.847 251 W HN 0.137 nan 8.180 nan 0.000 0.579 252 R N 1.204 121.307 120.500 -0.663 0.000 2.867 252 R HA 0.691 5.033 4.340 0.002 0.000 0.268 252 R C -1.358 174.811 176.300 -0.217 0.000 1.014 252 R CA -0.412 55.321 56.100 -0.612 0.000 0.946 252 R CB 1.276 30.759 30.300 -1.363 0.000 1.208 252 R HN -0.090 nan 8.270 nan 0.000 0.477 253 c N 2.280 120.686 118.600 -0.323 0.000 2.307 253 c HA 0.670 5.241 4.570 0.002 0.000 0.340 253 c C 0.435 174.261 174.090 -0.440 0.000 1.275 253 c CA -0.394 55.705 56.329 -0.384 0.000 1.811 253 c CB 0.115 42.310 42.510 -0.525 0.000 2.372 253 c HN 0.596 nan 8.230 nan 0.000 0.531 254 V N 2.087 121.855 119.914 -0.244 0.000 3.141 254 V HA 0.803 4.924 4.120 0.002 0.000 0.312 254 V C -0.751 175.465 176.094 0.203 0.000 1.157 254 V CA -0.772 61.359 62.300 -0.281 0.000 1.041 254 V CB 2.078 33.380 31.823 -0.868 0.000 1.071 254 V HN 0.837 nan 8.190 nan 0.000 0.441 255 N N 0.058 118.891 118.700 0.222 0.000 2.485 255 N HA 0.363 5.105 4.740 0.002 0.000 0.280 255 N C 0.334 176.043 175.510 0.331 0.000 1.205 255 N CA -0.653 52.574 53.050 0.295 0.000 0.959 255 N CB 0.574 39.166 38.487 0.175 0.000 1.206 255 N HN 0.751 nan 8.380 nan 0.000 0.545 256 F N 0.461 120.575 119.950 0.272 0.000 2.120 256 F HA -0.215 4.313 4.527 0.002 0.000 0.300 256 F C 2.423 178.276 175.800 0.088 0.000 1.095 256 F CA 2.185 60.283 58.000 0.163 0.000 1.249 256 F CB -0.506 38.588 39.000 0.157 0.000 0.995 256 F HN 0.591 nan 8.300 nan 0.000 0.480 257 S N -0.360 115.375 115.700 0.058 0.000 2.383 257 S HA -0.252 4.220 4.470 0.002 0.000 0.227 257 S C 2.125 176.669 174.600 -0.094 0.000 1.026 257 S CA 1.242 59.419 58.200 -0.039 0.000 0.981 257 S CB -1.073 62.191 63.200 0.107 0.000 0.818 257 S HN 0.513 nan 8.310 nan 0.000 0.472 258 F N 1.280 121.122 119.950 -0.180 0.000 2.102 258 F HA -0.089 4.439 4.527 0.002 0.000 0.298 258 F C 2.714 178.309 175.800 -0.340 0.000 1.105 258 F CA 1.707 59.568 58.000 -0.232 0.000 1.239 258 F CB -0.965 37.895 39.000 -0.234 0.000 0.991 258 F HN 0.402 nan 8.300 nan 0.000 0.474 259 c N 0.804 119.335 118.600 -0.116 0.000 2.425 259 c HA -0.186 4.385 4.570 0.002 0.000 0.277 259 c C 2.852 176.744 174.090 -0.331 0.000 1.280 259 c CA 1.716 57.888 56.329 -0.261 0.000 1.744 259 c CB -1.385 40.976 42.510 -0.247 0.000 1.989 259 c HN 0.714 nan 8.230 nan 0.000 0.491 260 Q N -0.083 119.430 119.800 -0.479 0.000 2.083 260 Q HA -0.168 4.173 4.340 0.002 0.000 0.198 260 Q C 1.658 177.616 176.000 -0.069 0.000 0.969 260 Q CA 1.905 57.501 55.803 -0.346 0.000 0.838 260 Q CB -0.188 28.233 28.738 -0.529 0.000 0.900 260 Q HN 0.597 nan 8.270 nan 0.000 0.436 261 D N 0.697 121.001 120.400 -0.160 0.000 2.149 261 D HA -0.160 4.481 4.640 0.002 0.000 0.198 261 D C 1.984 178.191 176.300 -0.155 0.000 0.990 261 D CA 0.885 54.809 54.000 -0.126 0.000 0.839 261 D CB -0.196 40.483 40.800 -0.201 0.000 0.948 261 D HN 0.291 nan 8.370 nan 0.000 0.460 262 L N -0.110 120.936 121.223 -0.295 0.000 2.012 262 L HA -0.229 4.113 4.340 0.002 0.000 0.210 262 L C 2.454 179.312 176.870 -0.019 0.000 1.073 262 L CA 1.317 56.013 54.840 -0.240 0.000 0.748 262 L CB -0.502 41.289 42.059 -0.447 0.000 0.891 262 L HN 0.152 nan 8.230 nan 0.000 0.431 263 H N -0.455 118.562 119.070 -0.089 0.000 2.319 263 H HA -0.226 4.331 4.556 0.002 0.000 0.297 263 H C 1.938 177.140 175.328 -0.210 0.000 1.097 263 H CA 2.207 58.179 56.048 -0.127 0.000 1.285 263 H CB -0.027 29.571 29.762 -0.273 0.000 1.368 263 H HN 0.395 nan 8.280 nan 0.000 0.495 264 H N -0.914 118.165 119.070 0.015 0.000 2.539 264 H HA 0.158 4.715 4.556 0.002 0.000 0.267 264 H C 1.905 177.199 175.328 -0.056 0.000 0.982 264 H CA 0.123 56.153 56.048 -0.030 0.000 1.146 264 H CB 0.474 30.251 29.762 0.025 0.000 1.382 264 H HN 0.260 nan 8.280 nan 0.000 0.577 265 K N -0.313 120.098 120.400 0.018 0.000 2.098 265 K HA -0.070 4.252 4.320 0.002 0.000 0.203 265 K C 2.125 178.707 176.600 -0.030 0.000 1.051 265 K CA 0.863 57.143 56.287 -0.012 0.000 0.957 265 K CB -0.113 32.365 32.500 -0.037 0.000 0.738 265 K HN 0.279 nan 8.250 nan 0.000 0.447 266 c N 1.533 120.101 118.600 -0.054 0.000 2.466 266 c HA -0.019 4.553 4.570 0.002 0.000 0.278 266 c C 2.605 176.631 174.090 -0.106 0.000 1.288 266 c CA 0.811 57.100 56.329 -0.067 0.000 1.722 266 c CB -0.458 42.025 42.510 -0.045 0.000 2.017 266 c HN 0.408 nan 8.230 nan 0.000 0.488 267 K N 0.669 120.961 120.400 -0.179 0.000 2.020 267 K HA -0.198 4.123 4.320 0.002 0.000 0.212 267 K C 1.718 178.282 176.600 -0.059 0.000 1.050 267 K CA 2.405 58.599 56.287 -0.157 0.000 0.929 267 K CB -0.327 32.042 32.500 -0.219 0.000 0.714 267 K HN 0.458 nan 8.250 nan 0.000 0.443 268 N N 0.164 118.850 118.700 -0.023 0.000 2.205 268 N HA -0.085 4.656 4.740 0.002 0.000 0.186 268 N C 0.030 175.531 175.510 -0.015 0.000 1.015 268 N CA 1.163 54.211 53.050 -0.002 0.000 0.862 268 N CB 0.104 38.599 38.487 0.013 0.000 0.986 268 N HN 0.029 nan 8.380 nan 0.000 0.429 269 S N 0.183 115.868 115.700 -0.026 0.000 2.128 269 S HA 0.283 4.754 4.470 0.002 0.000 0.157 269 S C -0.240 174.339 174.600 -0.035 0.000 1.650 269 S CA -0.567 57.618 58.200 -0.025 0.000 1.269 269 S CB 0.705 63.894 63.200 -0.019 0.000 1.227 269 S HN 0.130 nan 8.310 nan 0.000 0.405 270 R N 1.740 122.215 120.500 -0.041 0.000 4.113 270 R HA 0.148 4.490 4.340 0.002 0.000 0.179 270 R C 1.399 177.675 176.300 -0.039 0.000 1.781 270 R CA -0.093 55.977 56.100 -0.050 0.000 1.402 270 R CB -0.240 30.028 30.300 -0.053 0.000 1.375 270 R HN 0.363 nan 8.270 nan 0.000 0.786 271 R N 1.300 121.779 120.500 -0.035 0.000 2.310 271 R HA -0.072 4.269 4.340 0.002 0.000 0.202 271 R C 0.139 176.421 176.300 -0.030 0.000 0.933 271 R CA 0.989 57.073 56.100 -0.026 0.000 1.054 271 R CB 0.353 30.643 30.300 -0.018 0.000 0.985 271 R HN 0.598 nan 8.270 nan 0.000 0.489 272 Q N -1.275 118.496 119.800 -0.047 0.000 2.404 272 Q HA -0.098 4.243 4.340 0.002 0.000 0.299 272 Q C -0.066 175.902 176.000 -0.053 0.000 1.407 272 Q CA 0.749 56.516 55.803 -0.060 0.000 0.722 272 Q CB -2.701 26.012 28.738 -0.043 0.000 1.079 272 Q HN 0.543 nan 8.270 nan 0.000 0.366 273 G N -1.423 107.339 108.800 -0.064 0.000 5.302 273 G HA2 0.640 4.602 3.960 0.002 0.000 0.223 273 G HA3 0.640 4.602 3.960 0.002 0.000 0.223 273 G C 0.254 175.121 174.900 -0.056 0.000 0.832 273 G CA 0.990 46.062 45.100 -0.047 0.000 0.714 273 G HN 2.331 nan 8.290 nan 0.000 0.444 274 c N -1.776 116.737 118.600 -0.144 0.000 3.259 274 c HA 0.844 5.416 4.570 0.002 0.000 0.344 274 c C -1.140 172.744 174.090 -0.342 0.000 1.401 274 c CA -1.288 54.978 56.329 -0.106 0.000 1.219 274 c CB 0.915 43.421 42.510 -0.006 0.000 1.521 274 c HN 0.380 nan 8.230 nan 0.000 0.455 275 H N -0.520 118.566 119.070 0.026 0.000 2.797 275 H HA 0.618 5.175 4.556 0.002 0.000 0.372 275 H C -0.846 174.454 175.328 -0.046 0.000 1.168 275 H CA -0.354 55.634 56.048 -0.099 0.000 1.163 275 H CB 1.269 30.841 29.762 -0.317 0.000 1.778 275 H HN 0.741 nan 8.280 nan 0.000 0.551 276 Q N 1.732 121.548 119.800 0.027 0.000 2.389 276 Q HA 0.178 4.520 4.340 0.002 0.000 0.244 276 Q C -0.839 175.306 176.000 0.242 0.000 1.056 276 Q CA -0.392 55.402 55.803 -0.015 0.000 0.908 276 Q CB 0.346 28.902 28.738 -0.303 0.000 1.273 276 Q HN 0.458 nan 8.270 nan 0.000 0.471 277 Y N 1.075 121.520 120.300 0.242 0.000 2.480 277 Y HA 0.163 4.714 4.550 0.002 0.000 0.338 277 Y C 0.697 176.649 175.900 0.086 0.000 1.220 277 Y CA -0.225 57.973 58.100 0.165 0.000 1.430 277 Y CB 0.614 39.153 38.460 0.132 0.000 1.311 277 Y HN 0.362 nan 8.280 nan 0.000 0.575 278 V N 1.516 121.515 119.914 0.141 0.000 3.102 278 V HA 0.597 4.719 4.120 0.002 0.000 0.312 278 V C -0.865 175.254 176.094 0.042 0.000 1.135 278 V CA -1.276 61.042 62.300 0.031 0.000 1.022 278 V CB 2.181 34.009 31.823 0.008 0.000 1.056 278 V HN 0.455 nan 8.190 nan 0.000 0.436 279 I N 3.102 123.673 120.570 0.001 0.000 2.353 279 I HA 0.642 4.814 4.170 0.002 0.000 0.293 279 I C -0.417 175.761 176.117 0.102 0.000 0.992 279 I CA 0.332 61.625 61.300 -0.011 0.000 1.268 279 I CB 0.552 38.507 38.000 -0.075 0.000 1.387 279 I HN 1.074 nan 8.210 nan 0.000 0.478 280 H N 5.508 124.573 119.070 -0.009 0.000 3.087 280 H HA 0.282 4.840 4.556 0.002 0.000 0.348 280 H C -0.296 175.038 175.328 0.009 0.000 1.092 280 H CA -0.678 55.343 56.048 -0.045 0.000 1.285 280 H CB 0.921 30.596 29.762 -0.145 0.000 1.875 280 H HN 0.679 nan 8.280 nan 0.000 0.512 281 N N 4.066 122.478 118.700 -0.480 0.000 2.714 281 N HA -0.319 4.422 4.740 0.002 0.000 0.252 281 N C -0.716 174.762 175.510 -0.052 0.000 1.014 281 N CA 0.788 53.642 53.050 -0.327 0.000 0.735 281 N CB -0.957 37.224 38.487 -0.509 0.000 0.924 281 N HN 0.924 nan 8.380 nan 0.000 0.540 282 N N -1.761 117.011 118.700 0.119 0.000 2.741 282 N HA -0.212 4.529 4.740 0.002 0.000 0.250 282 N C -1.261 174.508 175.510 0.433 0.000 1.115 282 N CA 1.214 54.447 53.050 0.305 0.000 0.724 282 N CB -0.378 38.216 38.487 0.178 0.000 1.090 282 N HN 0.524 nan 8.380 nan 0.000 0.558 283 K N 0.053 120.641 120.400 0.314 0.000 2.316 283 K HA 0.578 4.899 4.320 0.002 0.000 0.251 283 K C -0.810 175.938 176.600 0.246 0.000 0.934 283 K CA -0.752 55.717 56.287 0.302 0.000 0.802 283 K CB 2.414 35.033 32.500 0.198 0.000 1.171 283 K HN 0.154 nan 8.250 nan 0.000 0.426 284 c N 5.494 124.284 118.600 0.316 0.000 2.303 284 c HA 0.622 5.193 4.570 0.002 0.000 0.341 284 c C 0.009 174.393 174.090 0.490 0.000 1.244 284 c CA -0.511 56.010 56.329 0.320 0.000 1.765 284 c CB -1.864 40.840 42.510 0.323 0.000 2.379 284 c HN 0.775 nan 8.230 nan 0.000 0.530 285 I N 3.872 124.663 120.570 0.368 0.000 2.934 285 I HA 0.566 4.738 4.170 0.002 0.000 0.306 285 I C -2.351 173.712 176.117 -0.089 0.000 1.110 285 I CA -2.632 58.805 61.300 0.228 0.000 1.019 285 I CB 1.630 39.688 38.000 0.097 0.000 1.227 285 I HN 0.174 nan 8.210 nan 0.000 0.434 286 P HA -0.143 nan 4.420 nan 0.000 0.216 286 P C -0.509 176.484 177.300 -0.511 0.000 1.153 286 P CA 1.573 64.103 63.100 -0.951 0.000 0.858 286 P CB 0.075 31.171 31.700 -1.008 0.000 0.789 287 E N -3.597 116.426 120.200 -0.295 0.000 2.430 287 E HA 0.307 4.659 4.350 0.002 0.000 0.279 287 E C -1.256 175.276 176.600 -0.114 0.000 1.003 287 E CA -1.061 55.250 56.400 -0.149 0.000 0.801 287 E CB 0.486 30.121 29.700 -0.109 0.000 1.313 287 E HN -0.290 nan 8.360 nan 0.000 0.459 288 c N 2.809 121.360 118.600 -0.083 0.000 2.642 288 c HA 0.263 4.835 4.570 0.002 0.000 0.420 288 c C -1.524 172.497 174.090 -0.115 0.000 1.349 288 c CA -0.489 55.768 56.329 -0.120 0.000 1.821 288 c CB -0.835 41.651 42.510 -0.041 0.000 2.637 288 c HN 0.551 nan 8.230 nan 0.000 0.605 289 P HA 0.165 nan 4.420 nan 0.000 0.275 289 P C -0.606 176.726 177.300 0.054 0.000 1.266 289 P CA -0.205 62.842 63.100 -0.089 0.000 0.793 289 P CB 0.312 31.915 31.700 -0.162 0.000 1.074 290 S N -0.838 114.904 115.700 0.069 0.000 2.549 290 S HA 0.379 4.851 4.470 0.002 0.000 0.286 290 S C 1.399 176.075 174.600 0.126 0.000 1.314 290 S CA 0.747 58.993 58.200 0.077 0.000 1.062 290 S CB -0.310 62.916 63.200 0.045 0.000 0.865 290 S HN 0.973 nan 8.310 nan 0.000 0.498 291 G N 1.088 109.910 108.800 0.036 0.000 2.194 291 G HA2 -0.209 3.752 3.960 0.002 0.000 0.236 291 G HA3 -0.209 3.752 3.960 0.002 0.000 0.236 291 G C -0.373 174.344 174.900 -0.306 0.000 0.987 291 G CA -0.250 44.776 45.100 -0.123 0.000 0.635 291 G HN 0.625 nan 8.290 nan 0.000 0.520 292 Y N 0.469 120.737 120.300 -0.053 0.000 2.576 292 Y HA 0.700 5.251 4.550 0.002 0.000 0.346 292 Y C 0.603 176.475 175.900 -0.046 0.000 1.018 292 Y CA -0.070 57.993 58.100 -0.062 0.000 1.050 292 Y CB 2.360 40.736 38.460 -0.141 0.000 1.280 292 Y HN 0.421 nan 8.280 nan 0.000 0.474 293 T N -1.003 113.632 114.554 0.134 0.000 2.883 293 T HA 0.471 4.822 4.350 0.002 0.000 0.296 293 T C -1.007 173.742 174.700 0.083 0.000 1.117 293 T CA -1.020 61.128 62.100 0.080 0.000 1.006 293 T CB 1.818 70.715 68.868 0.049 0.000 1.191 293 T HN 0.566 nan 8.240 nan 0.000 0.508 294 M N 3.175 122.811 119.600 0.061 0.000 2.080 294 M HA 0.352 4.834 4.480 0.002 0.000 0.350 294 M C -0.101 176.229 176.300 0.050 0.000 1.143 294 M CA -0.520 54.811 55.300 0.052 0.000 1.064 294 M CB -0.328 32.297 32.600 0.043 0.000 1.429 294 M HN 0.880 nan 8.290 nan 0.000 0.418 295 N N 1.787 120.519 118.700 0.053 0.000 2.301 295 N HA -0.052 4.689 4.740 0.002 0.000 0.267 295 N C 0.509 176.042 175.510 0.039 0.000 1.304 295 N CA 0.537 53.616 53.050 0.047 0.000 0.851 295 N CB 0.762 39.279 38.487 0.050 0.000 1.070 295 N HN 0.511 nan 8.380 nan 0.000 0.483 296 S N 0.948 116.676 115.700 0.046 0.000 2.458 296 S HA -0.009 4.463 4.470 0.002 0.000 0.223 296 S C 1.494 176.132 174.600 0.064 0.000 1.019 296 S CA 0.211 58.444 58.200 0.056 0.000 0.937 296 S CB 0.221 63.464 63.200 0.071 0.000 0.788 296 S HN 0.574 nan 8.310 nan 0.000 0.511 297 S N 2.572 118.308 115.700 0.060 0.000 2.562 297 S HA 0.060 4.531 4.470 0.002 0.000 0.221 297 S C 0.945 175.592 174.600 0.079 0.000 0.975 297 S CA 0.365 58.607 58.200 0.069 0.000 0.918 297 S CB -0.051 63.177 63.200 0.047 0.000 0.772 297 S HN 0.734 nan 8.310 nan 0.000 0.531 298 N N -0.050 118.694 118.700 0.074 0.000 2.261 298 N HA 0.095 4.836 4.740 0.002 0.000 0.241 298 N C 0.180 175.771 175.510 0.134 0.000 1.374 298 N CA -0.150 52.957 53.050 0.094 0.000 0.802 298 N CB -1.099 37.389 38.487 0.001 0.000 1.339 298 N HN 0.222 nan 8.380 nan 0.000 0.498 299 L N -0.829 120.420 121.223 0.044 0.000 4.312 299 L HA -0.252 4.089 4.340 0.002 0.000 0.427 299 L C -0.391 176.477 176.870 -0.002 0.000 1.149 299 L CA 0.589 55.391 54.840 -0.064 0.000 0.978 299 L CB -1.358 40.636 42.059 -0.108 0.000 1.963 299 L HN 0.307 nan 8.230 nan 0.000 0.970 300 L N 0.711 121.956 121.223 0.038 0.000 2.264 300 L HA 0.383 4.725 4.340 0.002 0.000 0.289 300 L C 0.583 177.496 176.870 0.072 0.000 1.044 300 L CA -0.053 54.823 54.840 0.060 0.000 0.807 300 L CB 1.121 43.221 42.059 0.068 0.000 1.192 300 L HN 0.130 nan 8.230 nan 0.000 0.425 301 c N 3.931 122.577 118.600 0.076 0.000 2.638 301 c HA 0.394 4.965 4.570 0.002 0.000 0.410 301 c C 0.864 175.083 174.090 0.214 0.000 1.404 301 c CA -0.091 56.289 56.329 0.085 0.000 1.651 301 c CB -1.490 40.950 42.510 -0.117 0.000 2.495 301 c HN 0.882 nan 8.230 nan 0.000 0.606 302 T N 3.070 117.774 114.554 0.249 0.000 2.856 302 T HA 0.657 5.008 4.350 0.002 0.000 0.283 302 T C -2.627 172.213 174.700 0.233 0.000 1.008 302 T CA -1.774 60.483 62.100 0.261 0.000 0.997 302 T CB 1.883 70.828 68.868 0.127 0.000 0.992 302 T HN 0.425 nan 8.240 nan 0.000 0.454 303 P HA 0.326 nan 4.420 nan 0.000 0.274 303 P C -0.505 176.673 177.300 -0.203 0.000 1.246 303 P CA -0.563 62.275 63.100 -0.436 0.000 0.795 303 P CB 0.492 31.911 31.700 -0.469 0.000 1.006 304 c N 1.451 119.909 118.600 -0.236 0.000 2.388 304 c HA 0.334 4.906 4.570 0.002 0.000 0.362 304 c C 1.089 175.123 174.090 -0.094 0.000 1.266 304 c CA -0.553 55.706 56.329 -0.116 0.000 2.028 304 c CB -0.591 41.861 42.510 -0.096 0.000 2.440 304 c HN 0.553 nan 8.230 nan 0.000 0.547 305 L N 5.098 126.289 121.223 -0.054 0.000 2.600 305 L HA 0.458 4.800 4.340 0.002 0.000 0.278 305 L C 0.958 177.808 176.870 -0.033 0.000 1.139 305 L CA 1.419 56.236 54.840 -0.038 0.000 0.933 305 L CB -0.762 41.284 42.059 -0.022 0.000 1.266 305 L HN 1.120 nan 8.230 nan 0.000 0.471 306 G N 4.608 113.386 108.800 -0.037 0.000 2.697 306 G HA2 -0.269 3.692 3.960 0.002 0.000 0.240 306 G HA3 -0.269 3.692 3.960 0.002 0.000 0.240 306 G C -2.541 172.339 174.900 -0.034 0.000 1.346 306 G CA -0.629 44.454 45.100 -0.028 0.000 0.887 306 G HN 0.633 nan 8.290 nan 0.000 0.569 307 P HA 0.289 nan 4.420 nan 0.000 0.267 307 P C 0.620 177.910 177.300 -0.016 0.000 1.195 307 P CA -0.133 62.956 63.100 -0.017 0.000 0.773 307 P CB 0.275 31.974 31.700 -0.001 0.000 0.837 308 c N 3.853 122.444 118.600 -0.016 0.000 2.657 308 c HA 0.222 4.793 4.570 0.002 0.000 0.404 308 c C -1.742 172.350 174.090 0.004 0.000 1.291 308 c CA -0.806 55.517 56.329 -0.010 0.000 2.218 308 c CB -0.811 41.695 42.510 -0.007 0.000 2.687 308 c HN 0.546 nan 8.230 nan 0.000 0.634 309 P HA 0.124 nan 4.420 nan 0.000 0.262 309 P C -0.635 176.677 177.300 0.019 0.000 1.182 309 P CA 0.523 63.632 63.100 0.014 0.000 0.761 309 P CB 0.204 31.913 31.700 0.016 0.000 0.795 310 K N 2.647 123.058 120.400 0.018 0.000 2.637 310 K HA 0.344 4.665 4.320 0.002 0.000 0.248 310 K C -1.496 175.108 176.600 0.007 0.000 0.971 310 K CA -0.660 55.640 56.287 0.021 0.000 0.858 310 K CB 1.376 33.891 32.500 0.024 0.000 1.170 310 K HN 0.086 nan 8.250 nan 0.000 0.443 311 V N 4.336 124.250 119.914 0.000 0.000 2.406 311 V HA 0.236 4.357 4.120 0.002 0.000 0.272 311 V C -0.156 175.884 176.094 -0.090 0.000 1.043 311 V CA -0.703 61.548 62.300 -0.081 0.000 0.915 311 V CB 0.927 32.687 31.823 -0.104 0.000 0.988 311 V HN 0.802 nan 8.190 nan 0.000 0.466 312 C N 5.634 124.861 119.300 -0.122 0.000 2.255 312 C HA 0.420 4.882 4.460 0.002 0.000 0.326 312 C C 0.355 175.256 174.990 -0.149 0.000 1.258 312 C CA -0.833 58.151 59.018 -0.057 0.000 1.676 312 C CB -0.798 26.939 27.740 -0.006 0.000 2.314 312 C HN 0.781 nan 8.230 nan 0.000 0.509 313 H N 3.745 122.820 119.070 0.008 0.000 2.652 313 H HA 0.303 4.860 4.556 0.002 0.000 0.298 313 H C -0.167 175.161 175.328 0.000 0.000 1.076 313 H CA -0.111 55.939 56.048 0.003 0.000 1.360 313 H CB 0.813 30.577 29.762 0.004 0.000 1.421 313 H HN 0.550 nan 8.280 nan 0.000 0.464 314 L N 3.571 124.834 121.223 0.067 0.000 2.395 314 L HA 0.072 4.414 4.340 0.002 0.000 0.269 314 L C 0.489 177.383 176.870 0.041 0.000 1.133 314 L CA -0.862 53.999 54.840 0.036 0.000 0.812 314 L CB 0.639 42.697 42.059 -0.002 0.000 1.125 314 L HN 0.285 nan 8.230 nan 0.000 0.452 315 L N 3.101 124.341 121.223 0.028 0.000 2.462 315 L HA 0.021 4.362 4.340 0.002 0.000 0.272 315 L C 0.815 177.693 176.870 0.014 0.000 1.166 315 L CA 0.618 55.471 54.840 0.022 0.000 0.880 315 L CB -0.498 41.570 42.059 0.014 0.000 1.142 315 L HN 0.673 nan 8.230 nan 0.000 0.473 316 E N 3.595 123.805 120.200 0.017 0.000 2.660 316 E HA -0.285 4.066 4.350 0.002 0.000 0.260 316 E C 1.022 177.629 176.600 0.011 0.000 1.122 316 E CA 0.593 57.002 56.400 0.014 0.000 0.755 316 E CB -1.631 28.075 29.700 0.011 0.000 1.345 316 E HN 1.241 nan 8.360 nan 0.000 0.421 317 G N 0.245 109.050 108.800 0.009 0.000 2.153 317 G HA2 -0.366 3.596 3.960 0.002 0.000 0.252 317 G HA3 -0.366 3.596 3.960 0.002 0.000 0.252 317 G C -0.027 174.843 174.900 -0.050 0.000 0.994 317 G CA 1.220 46.314 45.100 -0.010 0.000 0.698 317 G HN 0.629 nan 8.290 nan 0.000 0.521 318 E N -1.729 118.446 120.200 -0.042 0.000 2.430 318 E HA 0.797 5.149 4.350 0.002 0.000 0.279 318 E C -0.900 175.674 176.600 -0.043 0.000 1.003 318 E CA -1.326 55.029 56.400 -0.074 0.000 0.801 318 E CB 1.773 31.432 29.700 -0.068 0.000 1.313 318 E HN 0.203 nan 8.360 nan 0.000 0.459 319 K N 0.787 121.158 120.400 -0.049 0.000 2.543 319 K HA 0.317 4.638 4.320 0.002 0.000 0.255 319 K C -1.658 174.933 176.600 -0.014 0.000 0.934 319 K CA -0.537 55.738 56.287 -0.020 0.000 0.810 319 K CB 2.513 35.009 32.500 -0.006 0.000 1.315 319 K HN 0.605 nan 8.250 nan 0.000 0.433 320 T N 4.241 118.792 114.554 -0.005 0.000 2.744 320 T HA 0.411 4.763 4.350 0.002 0.000 0.291 320 T C -0.093 174.611 174.700 0.006 0.000 0.957 320 T CA -0.364 61.737 62.100 0.003 0.000 1.002 320 T CB 0.123 68.990 68.868 -0.001 0.000 0.919 320 T HN 0.356 nan 8.240 nan 0.000 0.468 321 I N 4.435 125.015 120.570 0.016 0.000 2.306 321 I HA 0.248 4.419 4.170 0.002 0.000 0.288 321 I C 0.243 176.355 176.117 -0.009 0.000 1.036 321 I CA -0.387 60.914 61.300 0.002 0.000 1.221 321 I CB 0.779 38.785 38.000 0.010 0.000 1.385 321 I HN 0.632 nan 8.210 nan 0.000 0.472 322 D N 3.133 123.521 120.400 -0.019 0.000 2.599 322 D HA 0.177 4.819 4.640 0.002 0.000 0.249 322 D C -0.158 176.123 176.300 -0.032 0.000 1.313 322 D CA -0.274 53.714 54.000 -0.019 0.000 0.815 322 D CB 0.363 41.157 40.800 -0.010 0.000 1.077 322 D HN 0.374 nan 8.370 nan 0.000 0.492 323 S N -2.282 113.389 115.700 -0.048 0.000 2.611 323 S HA 0.244 4.716 4.470 0.002 0.000 0.270 323 S C 0.434 174.988 174.600 -0.077 0.000 1.131 323 S CA -0.514 57.653 58.200 -0.056 0.000 0.826 323 S CB 1.036 64.212 63.200 -0.040 0.000 1.095 323 S HN -0.189 nan 8.310 nan 0.000 0.461 324 V N 1.548 121.413 119.914 -0.082 0.000 2.407 324 V HA -0.158 3.963 4.120 0.002 0.000 0.248 324 V C 2.704 178.758 176.094 -0.067 0.000 1.055 324 V CA 2.675 64.920 62.300 -0.091 0.000 1.049 324 V CB -1.521 30.250 31.823 -0.086 0.000 0.662 324 V HN 1.038 nan 8.190 nan 0.000 0.455 325 T N 0.636 115.160 114.554 -0.050 0.000 2.684 325 T HA -0.209 4.142 4.350 0.002 0.000 0.267 325 T C 2.062 176.742 174.700 -0.033 0.000 1.036 325 T CA 1.949 64.027 62.100 -0.037 0.000 1.148 325 T CB -0.464 68.387 68.868 -0.029 0.000 0.863 325 T HN 0.700 nan 8.240 nan 0.000 0.436 326 S N 2.296 117.976 115.700 -0.034 0.000 2.383 326 S HA 0.094 4.565 4.470 0.002 0.000 0.227 326 S C 2.504 177.089 174.600 -0.025 0.000 1.026 326 S CA 0.719 58.905 58.200 -0.024 0.000 0.981 326 S CB -0.734 62.455 63.200 -0.020 0.000 0.818 326 S HN 0.560 nan 8.310 nan 0.000 0.472 327 A N 1.881 124.673 122.820 -0.046 0.000 1.908 327 A HA -0.173 4.149 4.320 0.002 0.000 0.218 327 A C 2.304 179.866 177.584 -0.037 0.000 1.181 327 A CA 1.632 53.637 52.037 -0.054 0.000 0.627 327 A CB -0.928 18.004 19.000 -0.113 0.000 0.818 327 A HN 0.570 nan 8.150 nan 0.000 0.445 328 Q N -0.377 119.399 119.800 -0.039 0.000 2.133 328 Q HA -0.257 4.084 4.340 0.002 0.000 0.208 328 Q C 1.757 177.751 176.000 -0.011 0.000 0.991 328 Q CA 1.920 57.707 55.803 -0.026 0.000 0.867 328 Q CB -0.288 28.434 28.738 -0.027 0.000 0.911 328 Q HN 0.791 nan 8.270 nan 0.000 0.417 329 E N -0.029 120.166 120.200 -0.008 0.000 2.396 329 E HA -0.154 4.197 4.350 0.002 0.000 0.200 329 E C 1.139 177.746 176.600 0.011 0.000 1.023 329 E CA 0.581 56.982 56.400 0.001 0.000 0.857 329 E CB 0.034 29.735 29.700 0.002 0.000 0.775 329 E HN 0.394 nan 8.360 nan 0.000 0.525 330 L N 0.272 121.504 121.223 0.014 0.000 2.693 330 L HA 0.160 4.501 4.340 0.002 0.000 0.235 330 L C 0.993 177.881 176.870 0.030 0.000 1.127 330 L CA -0.438 54.419 54.840 0.028 0.000 0.914 330 L CB 0.184 42.270 42.059 0.046 0.000 1.193 330 L HN -0.043 nan 8.230 nan 0.000 0.502 331 R N 1.069 121.579 120.500 0.017 0.000 2.583 331 R HA 0.119 4.461 4.340 0.002 0.000 0.274 331 R C 1.175 177.488 176.300 0.022 0.000 0.998 331 R CA 1.336 57.446 56.100 0.016 0.000 1.081 331 R CB 0.293 30.596 30.300 0.005 0.000 0.940 331 R HN 0.330 nan 8.270 nan 0.000 0.413 332 G N 2.631 111.446 108.800 0.026 0.000 2.268 332 G HA2 -0.327 3.634 3.960 0.002 0.000 0.240 332 G HA3 -0.327 3.634 3.960 0.002 0.000 0.240 332 G C 0.298 175.217 174.900 0.032 0.000 1.010 332 G CA 0.087 45.203 45.100 0.026 0.000 0.618 332 G HN 0.801 nan 8.290 nan 0.000 0.516 333 C N 2.525 121.848 119.300 0.039 0.000 2.653 333 C HA 0.590 5.051 4.460 0.002 0.000 0.421 333 C C 2.276 177.297 174.990 0.050 0.000 1.334 333 C CA 1.672 60.714 59.018 0.040 0.000 1.885 333 C CB 0.342 28.109 27.740 0.045 0.000 2.645 333 C HN 0.957 nan 8.230 nan 0.000 0.601 334 T N 2.165 116.740 114.554 0.035 0.000 2.969 334 T HA 0.243 4.594 4.350 0.002 0.000 0.250 334 T C 0.041 174.757 174.700 0.027 0.000 1.021 334 T CA 0.089 62.212 62.100 0.039 0.000 1.003 334 T CB 0.038 68.922 68.868 0.027 0.000 1.040 334 T HN 0.485 nan 8.240 nan 0.000 0.492 335 V N 3.054 122.970 119.914 0.003 0.000 2.577 335 V HA 0.487 4.608 4.120 0.002 0.000 0.303 335 V C -0.855 175.209 176.094 -0.049 0.000 1.042 335 V CA -1.169 61.117 62.300 -0.023 0.000 0.872 335 V CB 1.926 33.722 31.823 -0.045 0.000 0.998 335 V HN 0.345 nan 8.190 nan 0.000 0.423 336 I N 4.253 124.800 120.570 -0.037 0.000 2.315 336 I HA 0.333 4.504 4.170 0.002 0.000 0.291 336 I C 0.193 176.254 176.117 -0.094 0.000 1.006 336 I CA -0.052 61.214 61.300 -0.057 0.000 1.265 336 I CB 1.358 39.348 38.000 -0.017 0.000 1.387 336 I HN 0.586 nan 8.210 nan 0.000 0.475 337 N N 5.606 124.217 118.700 -0.149 0.000 2.609 337 N HA 0.530 5.271 4.740 0.002 0.000 0.234 337 N C -0.037 175.430 175.510 -0.071 0.000 1.001 337 N CA 0.272 53.242 53.050 -0.134 0.000 0.926 337 N CB 1.145 39.473 38.487 -0.264 0.000 1.130 337 N HN 0.973 nan 8.380 nan 0.000 0.510 338 G N 1.139 109.900 108.800 -0.065 0.000 2.278 338 G HA2 -0.002 3.959 3.960 0.002 0.000 0.265 338 G HA3 -0.002 3.959 3.960 0.002 0.000 0.265 338 G C -1.769 173.038 174.900 -0.156 0.000 1.329 338 G CA -0.683 44.366 45.100 -0.085 0.000 1.017 338 G HN 0.407 nan 8.290 nan 0.000 0.472 339 S N -0.606 114.940 115.700 -0.256 0.000 2.536 339 S HA 0.781 5.253 4.470 0.002 0.000 0.287 339 S C -0.515 173.868 174.600 -0.361 0.000 1.101 339 S CA -0.648 57.253 58.200 -0.498 0.000 0.950 339 S CB 1.671 64.150 63.200 -1.202 0.000 1.056 339 S HN 0.678 nan 8.310 nan 0.000 0.481 340 L N 2.449 123.508 121.223 -0.274 0.000 2.334 340 L HA 0.633 4.974 4.340 0.002 0.000 0.276 340 L C -1.252 175.583 176.870 -0.059 0.000 1.014 340 L CA -0.849 53.934 54.840 -0.094 0.000 0.815 340 L CB 1.350 43.445 42.059 0.060 0.000 1.268 340 L HN 0.523 nan 8.230 nan 0.000 0.428 341 I N 3.927 124.494 120.570 -0.005 0.000 2.389 341 I HA 0.342 4.514 4.170 0.002 0.000 0.288 341 I C -0.404 175.748 176.117 0.059 0.000 0.999 341 I CA -0.210 61.107 61.300 0.028 0.000 1.129 341 I CB 1.544 39.551 38.000 0.012 0.000 1.288 341 I HN 0.249 nan 8.210 nan 0.000 0.444 342 I N 5.233 125.856 120.570 0.089 0.000 2.359 342 I HA 0.341 4.512 4.170 0.002 0.000 0.294 342 I C -0.033 176.124 176.117 0.067 0.000 0.987 342 I CA -0.429 60.930 61.300 0.099 0.000 1.225 342 I CB 1.141 39.253 38.000 0.186 0.000 1.366 342 I HN 0.586 nan 8.210 nan 0.000 0.466 343 N N 7.113 125.837 118.700 0.040 0.000 2.697 343 N HA 0.374 5.115 4.740 0.002 0.000 0.253 343 N C -1.457 174.067 175.510 0.022 0.000 1.604 343 N CA -0.142 52.928 53.050 0.034 0.000 0.772 343 N CB 0.374 38.874 38.487 0.022 0.000 1.267 343 N HN 0.478 nan 8.380 nan 0.000 0.510 344 I N 2.026 122.611 120.570 0.026 0.000 2.354 344 I HA 0.351 4.523 4.170 0.002 0.000 0.286 344 I C 1.123 177.269 176.117 0.049 0.000 1.007 344 I CA -0.604 60.700 61.300 0.006 0.000 1.167 344 I CB 1.537 39.509 38.000 -0.047 0.000 1.320 344 I HN 0.188 nan 8.210 nan 0.000 0.458 345 R N 3.899 124.433 120.500 0.057 0.000 2.254 345 R HA 0.349 4.690 4.340 0.002 0.000 0.193 345 R C 0.704 177.086 176.300 0.136 0.000 0.929 345 R CA -0.018 56.153 56.100 0.118 0.000 1.038 345 R CB 0.929 31.263 30.300 0.056 0.000 1.009 345 R HN 0.769 nan 8.270 nan 0.000 0.512 346 G N -0.913 107.924 108.800 0.061 0.000 2.550 346 G HA2 0.497 4.459 3.960 0.002 0.000 0.293 346 G HA3 0.497 4.459 3.960 0.002 0.000 0.293 346 G C -0.889 174.013 174.900 0.004 0.000 1.402 346 G CA -0.087 45.043 45.100 0.049 0.000 0.784 346 G HN 0.301 nan 8.290 nan 0.000 0.482 347 G N -0.761 108.037 108.800 -0.003 0.000 2.278 347 G HA2 0.309 4.271 3.960 0.002 0.000 0.265 347 G HA3 0.309 4.271 3.960 0.002 0.000 0.265 347 G C -1.837 173.047 174.900 -0.026 0.000 1.329 347 G CA -0.512 44.575 45.100 -0.023 0.000 1.017 347 G HN 1.021 nan 8.290 nan 0.000 0.472 348 N N 1.282 119.959 118.700 -0.038 0.000 2.371 348 N HA 0.365 5.107 4.740 0.002 0.000 0.291 348 N C 0.065 175.547 175.510 -0.047 0.000 1.053 348 N CA -0.153 52.876 53.050 -0.036 0.000 0.870 348 N CB 1.981 40.451 38.487 -0.028 0.000 1.503 348 N HN 1.005 nan 8.380 nan 0.000 0.485 349 N N 1.870 120.544 118.700 -0.044 0.000 2.738 349 N HA -0.170 4.571 4.740 0.002 0.000 0.249 349 N C -0.129 175.339 175.510 -0.069 0.000 1.047 349 N CA -0.048 52.973 53.050 -0.047 0.000 0.707 349 N CB -0.584 37.880 38.487 -0.039 0.000 0.937 349 N HN 0.540 nan 8.380 nan 0.000 0.545 350 L N 0.046 121.219 121.223 -0.084 0.000 2.179 350 L HA -0.012 4.330 4.340 0.002 0.000 0.208 350 L C 2.634 179.404 176.870 -0.166 0.000 1.096 350 L CA 1.446 56.205 54.840 -0.136 0.000 0.779 350 L CB -0.299 41.673 42.059 -0.146 0.000 0.922 350 L HN 0.459 nan 8.230 nan 0.000 0.443 351 A N 0.011 122.770 122.820 -0.102 0.000 1.930 351 A HA -0.105 4.216 4.320 0.002 0.000 0.217 351 A C 2.484 180.041 177.584 -0.045 0.000 1.175 351 A CA 1.632 53.635 52.037 -0.057 0.000 0.627 351 A CB -0.521 18.473 19.000 -0.010 0.000 0.815 351 A HN 0.379 nan 8.150 nan 0.000 0.443 352 A N -0.676 122.115 122.820 -0.049 0.000 1.874 352 A HA -0.042 4.279 4.320 0.002 0.000 0.214 352 A C 1.978 179.528 177.584 -0.056 0.000 1.189 352 A CA 1.479 53.494 52.037 -0.036 0.000 0.615 352 A CB -0.393 18.590 19.000 -0.030 0.000 0.830 352 A HN 0.365 nan 8.150 nan 0.000 0.443 353 E N 0.279 120.430 120.200 -0.083 0.000 2.058 353 E HA -0.157 4.194 4.350 0.002 0.000 0.194 353 E C 2.046 178.563 176.600 -0.139 0.000 0.997 353 E CA 1.129 57.470 56.400 -0.098 0.000 0.801 353 E CB -0.481 29.157 29.700 -0.103 0.000 0.746 353 E HN 0.647 nan 8.360 nan 0.000 0.450 354 L N 0.488 121.573 121.223 -0.231 0.000 2.093 354 L HA -0.147 4.194 4.340 0.002 0.000 0.208 354 L C 2.575 179.333 176.870 -0.186 0.000 1.085 354 L CA 1.097 55.715 54.840 -0.370 0.000 0.755 354 L CB -0.286 41.243 42.059 -0.883 0.000 0.904 354 L HN 0.142 nan 8.230 nan 0.000 0.435 355 E N 0.322 120.487 120.200 -0.058 0.000 2.077 355 E HA -0.240 4.111 4.350 0.002 0.000 0.193 355 E C 2.257 178.869 176.600 0.020 0.000 0.989 355 E CA 1.123 57.551 56.400 0.047 0.000 0.800 355 E CB -0.004 29.734 29.700 0.065 0.000 0.746 355 E HN 0.452 nan 8.360 nan 0.000 0.452 356 A N 1.154 123.966 122.820 -0.012 0.000 1.940 356 A HA -0.207 4.115 4.320 0.002 0.000 0.219 356 A C 1.869 179.450 177.584 -0.005 0.000 1.176 356 A CA 1.732 53.765 52.037 -0.007 0.000 0.631 356 A CB -0.423 18.565 19.000 -0.021 0.000 0.814 356 A HN 0.277 nan 8.150 nan 0.000 0.446 357 N N -1.164 117.520 118.700 -0.026 0.000 2.405 357 N HA 0.169 4.910 4.740 0.002 0.000 0.175 357 N C 1.013 176.530 175.510 0.010 0.000 1.051 357 N CA 0.786 53.825 53.050 -0.019 0.000 0.899 357 N CB 0.384 38.840 38.487 -0.051 0.000 1.000 357 N HN 0.478 nan 8.380 nan 0.000 0.451 358 L N -1.258 119.976 121.223 0.017 0.000 3.174 358 L HA 0.338 4.680 4.340 0.002 0.000 0.283 358 L C 1.919 178.889 176.870 0.167 0.000 1.187 358 L CA -0.037 54.850 54.840 0.077 0.000 1.018 358 L CB 0.479 42.496 42.059 -0.070 0.000 1.433 358 L HN -0.053 nan 8.230 nan 0.000 0.593 359 G N 0.669 109.546 108.800 0.127 0.000 2.509 359 G HA2 -0.113 3.849 3.960 0.002 0.000 0.218 359 G HA3 -0.113 3.849 3.960 0.002 0.000 0.218 359 G C 1.353 176.347 174.900 0.157 0.000 1.124 359 G CA 0.454 45.648 45.100 0.156 0.000 0.776 359 G HN 0.250 nan 8.290 nan 0.000 0.547 360 L N 0.230 121.531 121.223 0.129 0.000 2.558 360 L HA 0.329 4.671 4.340 0.002 0.000 0.225 360 L C 0.611 177.556 176.870 0.125 0.000 1.128 360 L CA -0.323 54.582 54.840 0.108 0.000 0.868 360 L CB 0.003 42.104 42.059 0.071 0.000 1.006 360 L HN 0.086 nan 8.230 nan 0.000 0.454 361 I N 0.654 121.335 120.570 0.186 0.000 2.587 361 I HA -0.083 4.089 4.170 0.002 0.000 0.284 361 I C 1.164 177.374 176.117 0.154 0.000 1.134 361 I CA 0.504 61.913 61.300 0.181 0.000 1.410 361 I CB 0.825 38.989 38.000 0.272 0.000 1.392 361 I HN 0.186 nan 8.210 nan 0.000 0.545 362 E N 4.251 124.503 120.200 0.086 0.000 2.290 362 E HA 0.062 4.413 4.350 0.002 0.000 0.197 362 E C 0.336 176.951 176.600 0.024 0.000 0.948 362 E CA 0.265 56.697 56.400 0.052 0.000 0.895 362 E CB 0.584 30.301 29.700 0.028 0.000 0.865 362 E HN 0.638 nan 8.360 nan 0.000 0.486 363 E N 0.704 120.916 120.200 0.019 0.000 2.331 363 E HA 0.413 4.764 4.350 0.002 0.000 0.275 363 E C -1.546 175.049 176.600 -0.008 0.000 0.895 363 E CA -0.454 55.945 56.400 -0.002 0.000 0.753 363 E CB 1.677 31.373 29.700 -0.007 0.000 1.216 363 E HN -0.063 nan 8.360 nan 0.000 0.434 364 I N 3.495 124.053 120.570 -0.019 0.000 2.447 364 I HA 0.120 4.292 4.170 0.002 0.000 0.287 364 I C 1.011 177.116 176.117 -0.020 0.000 1.023 364 I CA -0.369 60.914 61.300 -0.029 0.000 1.083 364 I CB 2.046 40.020 38.000 -0.045 0.000 1.245 364 I HN 0.692 nan 8.210 nan 0.000 0.434 365 S N 3.183 118.866 115.700 -0.028 0.000 2.461 365 S HA 0.085 4.557 4.470 0.002 0.000 0.228 365 S C 1.088 175.692 174.600 0.007 0.000 1.005 365 S CA 0.528 58.722 58.200 -0.010 0.000 0.942 365 S CB 0.076 63.267 63.200 -0.015 0.000 0.776 365 S HN 0.746 nan 8.310 nan 0.000 0.514 366 G N 0.767 109.556 108.800 -0.019 0.000 3.387 366 G HA2 0.542 4.503 3.960 0.002 0.000 0.195 366 G HA3 0.542 4.503 3.960 0.002 0.000 0.195 366 G C -0.263 174.684 174.900 0.078 0.000 1.853 366 G CA -0.253 44.853 45.100 0.011 0.000 0.879 366 G HN 0.606 nan 8.290 nan 0.000 0.651 367 Y N -1.753 118.559 120.300 0.020 0.000 2.630 367 Y HA 0.804 5.356 4.550 0.003 0.000 0.337 367 Y C -1.134 174.772 175.900 0.009 0.000 1.051 367 Y CA -1.900 56.220 58.100 0.033 0.000 1.121 367 Y CB 1.743 40.219 38.460 0.027 0.000 1.299 367 Y HN 0.429 nan 8.280 nan 0.000 0.498 368 L N 2.671 124.013 121.223 0.198 0.000 2.349 368 L HA 0.587 4.928 4.340 0.002 0.000 0.278 368 L C -1.161 175.696 176.870 -0.022 0.000 0.996 368 L CA -0.915 53.960 54.840 0.058 0.000 0.825 368 L CB 1.624 43.728 42.059 0.076 0.000 1.243 368 L HN 0.837 nan 8.230 nan 0.000 0.412 369 K N 5.148 125.552 120.400 0.007 0.000 2.463 369 K HA 0.684 5.005 4.320 0.002 0.000 0.255 369 K C -1.701 174.874 176.600 -0.041 0.000 0.942 369 K CA -0.554 55.698 56.287 -0.059 0.000 0.814 369 K CB 1.182 33.675 32.500 -0.011 0.000 1.122 369 K HN 0.589 nan 8.250 nan 0.000 0.425 370 I N 5.473 126.003 120.570 -0.067 0.000 2.382 370 I HA 0.457 4.628 4.170 0.002 0.000 0.286 370 I C -0.537 175.632 176.117 0.088 0.000 1.002 370 I CA -0.430 60.891 61.300 0.036 0.000 1.135 370 I CB 1.406 39.444 38.000 0.062 0.000 1.288 370 I HN 0.559 nan 8.210 nan 0.000 0.448 371 R N 6.024 126.581 120.500 0.095 0.000 2.584 371 R HA 0.546 4.888 4.340 0.002 0.000 0.276 371 R C -0.280 176.079 176.300 0.099 0.000 1.046 371 R CA -0.774 55.399 56.100 0.122 0.000 0.906 371 R CB 1.113 31.498 30.300 0.141 0.000 1.215 371 R HN 0.657 nan 8.270 nan 0.000 0.449 372 R N 0.787 121.356 120.500 0.114 0.000 3.863 372 R HA -0.115 4.227 4.340 0.002 0.000 0.313 372 R C -0.598 175.773 176.300 0.120 0.000 1.202 372 R CA 1.286 57.449 56.100 0.105 0.000 0.852 372 R CB -1.899 28.441 30.300 0.066 0.000 1.292 372 R HN 0.689 nan 8.270 nan 0.000 0.519 373 S N 0.749 116.521 115.700 0.120 0.000 4.139 373 S HA 0.042 4.514 4.470 0.002 0.000 0.215 373 S C 0.673 175.351 174.600 0.129 0.000 1.390 373 S CA -0.406 57.860 58.200 0.110 0.000 0.885 373 S CB 0.033 63.289 63.200 0.094 0.000 1.560 373 S HN 0.322 nan 8.310 nan 0.000 0.449 374 Y N 3.013 123.327 120.300 0.024 0.000 2.207 374 Y HA -0.219 4.332 4.550 0.002 0.000 0.287 374 Y C 2.137 178.046 175.900 0.015 0.000 1.156 374 Y CA 1.718 59.830 58.100 0.021 0.000 1.182 374 Y CB -0.345 38.121 38.460 0.011 0.000 0.979 374 Y HN 0.593 nan 8.280 nan 0.000 0.521 375 A N 0.343 123.184 122.820 0.034 0.000 2.121 375 A HA 0.032 4.353 4.320 0.002 0.000 0.218 375 A C 0.932 178.464 177.584 -0.087 0.000 1.154 375 A CA 0.443 52.447 52.037 -0.055 0.000 0.679 375 A CB -0.953 18.051 19.000 0.007 0.000 0.795 375 A HN 0.358 nan 8.150 nan 0.000 0.458 376 L N 0.154 121.348 121.223 -0.047 0.000 2.331 376 L HA 0.193 4.534 4.340 0.002 0.000 0.278 376 L C 0.945 177.794 176.870 -0.034 0.000 1.106 376 L CA -0.567 54.267 54.840 -0.010 0.000 0.824 376 L CB 1.504 43.606 42.059 0.071 0.000 1.142 376 L HN 0.028 nan 8.230 nan 0.000 0.443 377 V N 1.067 120.962 119.914 -0.033 0.000 3.307 377 V HA 0.060 4.181 4.120 0.002 0.000 0.253 377 V C 0.741 176.807 176.094 -0.047 0.000 1.149 377 V CA 0.572 62.845 62.300 -0.046 0.000 1.112 377 V CB 0.768 32.559 31.823 -0.053 0.000 0.777 377 V HN 0.828 nan 8.190 nan 0.000 0.464 378 S N -1.132 114.543 115.700 -0.041 0.000 2.570 378 S HA 0.552 5.024 4.470 0.002 0.000 0.270 378 S C -0.569 173.915 174.600 -0.192 0.000 1.149 378 S CA -0.582 57.536 58.200 -0.137 0.000 0.837 378 S CB 1.778 64.883 63.200 -0.159 0.000 1.124 378 S HN 0.085 nan 8.310 nan 0.000 0.465 379 L N 2.945 123.839 121.223 -0.547 0.000 2.741 379 L HA 0.212 4.554 4.340 0.002 0.000 0.237 379 L C 1.941 177.952 176.870 -1.432 0.000 1.178 379 L CA 0.239 54.453 54.840 -1.044 0.000 0.973 379 L CB -0.046 41.336 42.059 -1.129 0.000 1.255 379 L HN 0.787 nan 8.230 nan 0.000 0.498 380 S N 0.341 115.502 115.700 -0.898 0.000 2.428 380 S HA -0.209 4.262 4.470 0.002 0.000 0.230 380 S C 1.924 176.347 174.600 -0.295 0.000 1.014 380 S CA 0.603 58.447 58.200 -0.593 0.000 0.957 380 S CB -0.676 62.344 63.200 -0.301 0.000 0.784 380 S HN 0.544 nan 8.310 nan 0.000 0.499 381 F N 1.023 120.872 119.950 -0.168 0.000 2.214 381 F HA 0.073 4.601 4.527 0.002 0.000 0.302 381 F C 0.977 176.729 175.800 -0.080 0.000 1.063 381 F CA 0.063 57.975 58.000 -0.146 0.000 1.319 381 F CB -1.532 37.324 39.000 -0.241 0.000 1.046 381 F HN 0.152 nan 8.300 nan 0.000 0.505 382 F N 1.541 121.283 119.950 -0.346 0.000 2.651 382 F HA 0.239 4.768 4.527 0.003 0.000 0.369 382 F C 1.820 177.786 175.800 0.278 0.000 1.187 382 F CA -0.609 57.426 58.000 0.057 0.000 1.335 382 F CB -0.231 38.841 39.000 0.120 0.000 1.707 382 F HN -0.130 nan 8.300 nan 0.000 0.637 383 R N 1.070 121.777 120.500 0.345 0.000 2.096 383 R HA -0.093 4.248 4.340 0.002 0.000 0.235 383 R C 1.511 178.021 176.300 0.350 0.000 1.127 383 R CA 1.590 57.875 56.100 0.309 0.000 0.968 383 R CB -0.049 30.362 30.300 0.185 0.000 0.861 383 R HN 0.087 nan 8.270 nan 0.000 0.440 384 K N -0.203 120.372 120.400 0.293 0.000 2.358 384 K HA 0.129 4.451 4.320 0.002 0.000 0.200 384 K C -0.313 176.389 176.600 0.170 0.000 1.030 384 K CA -0.385 56.011 56.287 0.182 0.000 1.097 384 K CB 0.233 32.806 32.500 0.121 0.000 0.862 384 K HN 0.062 nan 8.250 nan 0.000 0.534 385 L N 1.684 123.074 121.223 0.278 0.000 2.433 385 L HA 0.042 4.383 4.340 0.002 0.000 0.275 385 L C 0.908 177.817 176.870 0.064 0.000 1.128 385 L CA 0.569 55.494 54.840 0.142 0.000 0.875 385 L CB 0.527 42.652 42.059 0.110 0.000 1.171 385 L HN -0.123 nan 8.230 nan 0.000 0.463 386 R N 3.264 123.751 120.500 -0.022 0.000 2.412 386 R HA 0.429 4.771 4.340 0.002 0.000 0.212 386 R C -1.053 175.206 176.300 -0.068 0.000 0.878 386 R CA -0.140 55.915 56.100 -0.076 0.000 1.022 386 R CB 0.290 30.535 30.300 -0.091 0.000 1.265 386 R HN 0.538 nan 8.270 nan 0.000 0.620 387 L N 0.690 121.883 121.223 -0.049 0.000 2.386 387 L HA 0.614 4.956 4.340 0.002 0.000 0.271 387 L C -1.435 175.419 176.870 -0.028 0.000 0.993 387 L CA -0.606 54.212 54.840 -0.036 0.000 0.819 387 L CB 1.774 43.820 42.059 -0.022 0.000 1.294 387 L HN -0.028 nan 8.230 nan 0.000 0.414 388 I N 5.200 125.765 120.570 -0.008 0.000 2.410 388 I HA 0.439 4.610 4.170 0.002 0.000 0.286 388 I C 0.765 176.905 176.117 0.040 0.000 1.009 388 I CA -0.496 60.820 61.300 0.027 0.000 1.111 388 I CB 1.811 39.859 38.000 0.079 0.000 1.262 388 I HN 0.652 nan 8.210 nan 0.000 0.443 389 R N 3.676 124.198 120.500 0.037 0.000 2.173 389 R HA 0.126 4.468 4.340 0.002 0.000 0.208 389 R C 1.309 177.643 176.300 0.056 0.000 1.035 389 R CA 0.664 56.786 56.100 0.037 0.000 1.004 389 R CB 0.127 30.442 30.300 0.025 0.000 0.917 389 R HN 1.004 nan 8.270 nan 0.000 0.462 390 G N 1.937 110.787 108.800 0.083 0.000 2.249 390 G HA2 -0.295 3.666 3.960 0.002 0.000 0.273 390 G HA3 -0.295 3.666 3.960 0.002 0.000 0.273 390 G C 0.390 175.339 174.900 0.083 0.000 1.036 390 G CA 0.632 45.796 45.100 0.107 0.000 0.824 390 G HN 0.442 nan 8.290 nan 0.000 0.504 391 E N -0.515 119.726 120.200 0.068 0.000 2.274 391 E HA 0.023 4.374 4.350 0.002 0.000 0.194 391 E C 1.529 178.170 176.600 0.068 0.000 0.996 391 E CA 1.273 57.706 56.400 0.055 0.000 0.840 391 E CB 0.074 29.798 29.700 0.040 0.000 0.772 391 E HN 0.772 nan 8.360 nan 0.000 0.491 392 T N -1.387 113.229 114.554 0.103 0.000 2.916 392 T HA 0.685 5.036 4.350 0.002 0.000 0.292 392 T C -0.478 174.369 174.700 0.245 0.000 1.055 392 T CA -0.939 61.247 62.100 0.145 0.000 1.009 392 T CB 1.800 70.758 68.868 0.150 0.000 1.118 392 T HN -0.088 nan 8.240 nan 0.000 0.497 393 L N 0.496 121.822 121.223 0.172 0.000 2.393 393 L HA 0.678 5.019 4.340 0.002 0.000 0.260 393 L C -0.333 176.350 176.870 -0.313 0.000 1.002 393 L CA -1.343 53.510 54.840 0.021 0.000 0.818 393 L CB 2.203 44.257 42.059 -0.008 0.000 1.369 393 L HN 0.689 nan 8.230 nan 0.000 0.412 394 E N 1.436 121.208 120.200 -0.713 0.000 2.390 394 E HA 0.199 4.551 4.350 0.002 0.000 0.261 394 E C -0.360 176.103 176.600 -0.228 0.000 1.076 394 E CA -0.444 55.543 56.400 -0.688 0.000 0.905 394 E CB 0.621 29.816 29.700 -0.842 0.000 0.984 394 E HN 0.236 nan 8.360 nan 0.000 0.427 395 I N 3.450 123.914 120.570 -0.176 0.000 2.906 395 I HA 0.038 4.210 4.170 0.002 0.000 0.301 395 I C 1.498 177.633 176.117 0.030 0.000 1.221 395 I CA 1.986 63.247 61.300 -0.066 0.000 1.435 395 I CB -0.817 37.151 38.000 -0.053 0.000 1.345 395 I HN 0.824 nan 8.210 nan 0.000 0.558 396 G N 5.648 114.417 108.800 -0.051 0.000 2.163 396 G HA2 -0.248 3.713 3.960 0.002 0.000 0.213 396 G HA3 -0.248 3.713 3.960 0.002 0.000 0.213 396 G C 0.458 175.017 174.900 -0.568 0.000 0.991 396 G CA -0.012 44.977 45.100 -0.184 0.000 0.653 396 G HN 0.657 nan 8.290 nan 0.000 0.518 397 N N -1.428 117.075 118.700 -0.330 0.000 2.756 397 N HA -0.175 4.567 4.740 0.002 0.000 0.248 397 N C -0.397 174.918 175.510 -0.325 0.000 1.062 397 N CA 1.552 54.438 53.050 -0.275 0.000 0.696 397 N CB -1.748 36.608 38.487 -0.218 0.000 0.946 397 N HN 0.736 nan 8.380 nan 0.000 0.548 398 Y N -0.604 119.701 120.300 0.008 0.000 2.341 398 Y HA 0.348 4.901 4.550 0.004 0.000 0.337 398 Y C 1.645 177.566 175.900 0.035 0.000 1.014 398 Y CA -0.374 57.765 58.100 0.064 0.000 1.111 398 Y CB 1.433 39.968 38.460 0.125 0.000 1.194 398 Y HN 0.131 nan 8.280 nan 0.000 0.462 399 S N 1.811 117.691 115.700 0.300 0.000 2.502 399 S HA 0.202 4.673 4.470 0.002 0.000 0.215 399 S C -0.374 174.451 174.600 0.376 0.000 1.009 399 S CA -0.055 58.325 58.200 0.300 0.000 0.908 399 S CB 0.267 63.609 63.200 0.237 0.000 0.801 399 S HN 0.494 nan 8.310 nan 0.000 0.505 400 F N 1.155 121.257 119.950 0.253 0.000 2.585 400 F HA 0.627 5.155 4.527 0.002 0.000 0.319 400 F C -1.629 174.264 175.800 0.155 0.000 1.165 400 F CA -1.243 56.882 58.000 0.209 0.000 0.949 400 F CB 1.568 40.684 39.000 0.193 0.000 1.218 400 F HN 0.166 nan 8.300 nan 0.000 0.453 401 Y N 4.974 124.849 120.300 -0.708 0.000 2.361 401 Y HA 0.751 5.302 4.550 0.001 0.000 0.328 401 Y C -1.611 173.974 175.900 -0.524 0.000 1.044 401 Y CA -0.755 57.068 58.100 -0.462 0.000 1.085 401 Y CB 1.573 39.781 38.460 -0.420 0.000 1.194 401 Y HN 0.806 nan 8.280 nan 0.000 0.438 402 A N 6.704 129.337 122.820 -0.311 0.000 2.357 402 A HA 0.694 5.016 4.320 0.002 0.000 0.295 402 A C -2.455 175.155 177.584 0.043 0.000 1.121 402 A CA -0.543 51.400 52.037 -0.157 0.000 0.742 402 A CB 1.170 20.020 19.000 -0.250 0.000 1.181 402 A HN 0.703 nan 8.150 nan 0.000 0.454 403 L N 2.302 123.645 121.223 0.200 0.000 2.439 403 L HA 0.717 5.058 4.340 0.002 0.000 0.270 403 L C -0.246 176.778 176.870 0.257 0.000 0.972 403 L CA 0.335 55.355 54.840 0.300 0.000 0.836 403 L CB 1.618 43.946 42.059 0.448 0.000 1.255 403 L HN 0.828 nan 8.230 nan 0.000 0.404 404 D N 2.767 123.338 120.400 0.286 0.000 2.716 404 D HA -0.211 4.431 4.640 0.002 0.000 0.239 404 D C -0.982 175.426 176.300 0.179 0.000 1.125 404 D CA 0.721 54.856 54.000 0.226 0.000 0.681 404 D CB -0.762 40.118 40.800 0.133 0.000 1.070 404 D HN 0.691 nan 8.370 nan 0.000 0.432 405 N N 1.718 120.524 118.700 0.176 0.000 2.589 405 N HA 0.100 4.842 4.740 0.002 0.000 0.232 405 N C 1.092 176.669 175.510 0.112 0.000 1.015 405 N CA -0.431 52.703 53.050 0.140 0.000 0.931 405 N CB 1.408 39.972 38.487 0.128 0.000 1.150 405 N HN 0.241 nan 8.380 nan 0.000 0.512 406 Q N 0.505 120.374 119.800 0.114 0.000 2.369 406 Q HA 0.055 4.396 4.340 0.002 0.000 0.206 406 Q C 0.290 176.269 176.000 -0.035 0.000 0.963 406 Q CA 0.961 56.815 55.803 0.084 0.000 0.894 406 Q CB 0.264 29.128 28.738 0.210 0.000 0.965 406 Q HN 0.484 nan 8.270 nan 0.000 0.475 407 N N -0.164 118.465 118.700 -0.119 0.000 2.177 407 N HA 0.059 4.800 4.740 0.002 0.000 0.218 407 N C -0.257 175.215 175.510 -0.063 0.000 1.182 407 N CA -0.164 52.806 53.050 -0.132 0.000 0.882 407 N CB 0.920 39.253 38.487 -0.257 0.000 1.052 407 N HN 0.110 nan 8.380 nan 0.000 0.519 408 L N 1.905 123.120 121.223 -0.014 0.000 2.456 408 L HA 0.110 4.452 4.340 0.002 0.000 0.277 408 L C 1.178 178.057 176.870 0.014 0.000 1.124 408 L CA 0.462 55.310 54.840 0.013 0.000 0.880 408 L CB 0.340 42.440 42.059 0.068 0.000 1.192 408 L HN -0.067 nan 8.230 nan 0.000 0.463 409 R N 2.261 122.754 120.500 -0.011 0.000 2.250 409 R HA 0.224 4.565 4.340 0.002 0.000 0.194 409 R C -0.024 176.265 176.300 -0.019 0.000 0.927 409 R CA 0.060 56.152 56.100 -0.013 0.000 1.052 409 R CB 0.405 30.690 30.300 -0.025 0.000 1.055 409 R HN 0.670 nan 8.270 nan 0.000 0.537 410 Q N 0.335 120.106 119.800 -0.048 0.000 2.372 410 Q HA 0.327 4.669 4.340 0.002 0.000 0.273 410 Q C -0.329 175.584 176.000 -0.145 0.000 1.078 410 Q CA -0.450 55.298 55.803 -0.091 0.000 0.806 410 Q CB 1.989 30.641 28.738 -0.144 0.000 1.332 410 Q HN 0.001 nan 8.270 nan 0.000 0.435 411 L N 1.140 122.284 121.223 -0.132 0.000 2.185 411 L HA 0.374 4.715 4.340 0.002 0.000 0.202 411 L C 0.524 176.959 176.870 -0.725 0.000 1.234 411 L CA -0.089 54.607 54.840 -0.240 0.000 1.175 411 L CB -0.014 42.215 42.059 0.282 0.000 1.136 411 L HN 0.496 nan 8.230 nan 0.000 0.643 412 W N -0.186 120.597 121.300 -0.861 0.000 2.655 412 W HA 0.204 4.865 4.660 0.002 0.000 0.358 412 W C -0.686 175.146 176.519 -1.145 0.000 1.100 412 W CA -0.785 55.923 57.345 -1.062 0.000 1.195 412 W CB 0.935 29.545 29.460 -1.417 0.000 1.403 412 W HN 0.135 nan 8.180 nan 0.000 0.589 413 D N 0.862 121.012 120.400 -0.416 0.000 2.349 413 D HA -0.012 4.629 4.640 0.002 0.000 0.266 413 D C 0.413 176.617 176.300 -0.159 0.000 1.293 413 D CA 0.175 54.027 54.000 -0.247 0.000 0.926 413 D CB 0.220 40.973 40.800 -0.078 0.000 1.090 413 D HN 0.279 nan 8.370 nan 0.000 0.502 414 W N 2.493 123.860 121.300 0.112 0.000 3.047 414 W HA -0.025 4.637 4.660 0.003 0.000 0.250 414 W C 2.365 178.921 176.519 0.062 0.000 1.314 414 W CA -0.491 56.909 57.345 0.092 0.000 1.540 414 W CB 0.058 29.553 29.460 0.058 0.000 1.127 414 W HN 0.313 nan 8.180 nan 0.000 0.679 415 S N 1.083 116.908 115.700 0.208 0.000 2.359 415 S HA -0.234 4.238 4.470 0.002 0.000 0.223 415 S C 1.761 176.433 174.600 0.120 0.000 1.039 415 S CA 1.760 60.039 58.200 0.131 0.000 1.042 415 S CB -0.246 63.004 63.200 0.082 0.000 0.915 415 S HN 0.362 nan 8.310 nan 0.000 0.439 416 K N -0.272 120.197 120.400 0.116 0.000 2.190 416 K HA 0.142 4.463 4.320 0.002 0.000 0.202 416 K C 0.675 177.335 176.600 0.100 0.000 1.045 416 K CA 0.239 56.580 56.287 0.089 0.000 0.976 416 K CB -0.120 32.425 32.500 0.074 0.000 0.849 416 K HN 0.364 nan 8.250 nan 0.000 0.468 417 H N 1.367 120.470 119.070 0.055 0.000 2.580 417 H HA 0.162 4.719 4.556 0.002 0.000 0.322 417 H C -0.820 174.581 175.328 0.121 0.000 1.082 417 H CA -0.295 55.766 56.048 0.022 0.000 1.383 417 H CB 0.678 30.374 29.762 -0.109 0.000 1.450 417 H HN -0.075 nan 8.280 nan 0.000 0.505 418 N N 4.105 122.742 118.700 -0.106 0.000 2.392 418 N HA 0.257 4.999 4.740 0.002 0.000 0.283 418 N C -1.982 173.533 175.510 0.009 0.000 1.003 418 N CA -0.732 52.337 53.050 0.031 0.000 0.892 418 N CB 0.902 39.359 38.487 -0.050 0.000 1.193 418 N HN 0.445 nan 8.380 nan 0.000 0.487 419 L N 2.596 123.894 121.223 0.125 0.000 2.385 419 L HA 0.643 4.984 4.340 0.002 0.000 0.273 419 L C -0.809 176.023 176.870 -0.063 0.000 0.990 419 L CA -0.194 54.633 54.840 -0.022 0.000 0.821 419 L CB 1.971 43.951 42.059 -0.131 0.000 1.279 419 L HN 0.496 nan 8.230 nan 0.000 0.412 420 T N 6.237 120.751 114.554 -0.067 0.000 2.823 420 T HA 0.622 4.973 4.350 0.002 0.000 0.279 420 T C -0.237 174.442 174.700 -0.035 0.000 0.998 420 T CA -0.050 62.018 62.100 -0.053 0.000 0.994 420 T CB 0.856 69.700 68.868 -0.040 0.000 0.960 420 T HN 0.449 nan 8.240 nan 0.000 0.448 421 I N 3.312 123.870 120.570 -0.020 0.000 2.405 421 I HA 0.185 4.356 4.170 0.002 0.000 0.280 421 I C 1.404 177.535 176.117 0.023 0.000 1.027 421 I CA -0.478 60.834 61.300 0.020 0.000 1.161 421 I CB 1.493 39.522 38.000 0.049 0.000 1.300 421 I HN 0.670 nan 8.210 nan 0.000 0.463 422 T N 3.778 118.347 114.554 0.025 0.000 2.643 422 T HA -0.124 4.227 4.350 0.002 0.000 0.264 422 T C 0.745 175.463 174.700 0.029 0.000 1.045 422 T CA 1.479 63.592 62.100 0.020 0.000 1.155 422 T CB -0.087 68.793 68.868 0.019 0.000 0.863 422 T HN 0.542 nan 8.240 nan 0.000 0.420 423 Q N -1.018 118.809 119.800 0.044 0.000 2.445 423 Q HA 0.559 4.900 4.340 0.002 0.000 0.281 423 Q C 0.056 176.098 176.000 0.070 0.000 1.101 423 Q CA -0.561 55.270 55.803 0.046 0.000 0.833 423 Q CB 2.251 31.014 28.738 0.040 0.000 1.416 423 Q HN 0.521 nan 8.270 nan 0.000 0.451 424 G N 0.735 109.570 108.800 0.059 0.000 2.795 424 G HA2 -0.190 3.771 3.960 0.002 0.000 0.664 424 G HA3 -0.190 3.771 3.960 0.002 0.000 0.664 424 G C -1.192 173.775 174.900 0.112 0.000 1.381 424 G CA -0.707 44.436 45.100 0.072 0.000 0.853 424 G HN 0.417 nan 8.290 nan 0.000 0.545 425 K N -0.848 119.640 120.400 0.147 0.000 2.280 425 K HA 0.797 5.118 4.320 0.002 0.000 0.234 425 K C 0.119 177.006 176.600 0.480 0.000 1.028 425 K CA -0.938 55.501 56.287 0.253 0.000 0.882 425 K CB 1.429 34.043 32.500 0.189 0.000 1.194 425 K HN 0.443 nan 8.250 nan 0.000 0.458 426 L N 0.945 122.465 121.223 0.495 0.000 2.344 426 L HA 0.559 4.901 4.340 0.002 0.000 0.272 426 L C -0.752 176.414 176.870 0.493 0.000 1.035 426 L CA -0.856 54.307 54.840 0.537 0.000 0.807 426 L CB 0.603 42.999 42.059 0.561 0.000 1.237 426 L HN 0.527 nan 8.230 nan 0.000 0.442 427 F N 2.237 122.145 119.950 -0.069 0.000 2.557 427 F HA 0.607 5.135 4.527 0.002 0.000 0.316 427 F C -1.583 173.926 175.800 -0.484 0.000 1.141 427 F CA -0.473 57.269 58.000 -0.430 0.000 0.922 427 F CB 1.352 39.565 39.000 -1.311 0.000 1.194 427 F HN 0.130 nan 8.300 nan 0.000 0.443 428 F N 5.542 125.150 119.950 -0.570 0.000 2.562 428 F HA 0.531 5.059 4.527 0.002 0.000 0.319 428 F C -0.612 174.652 175.800 -0.894 0.000 1.154 428 F CA -0.559 57.167 58.000 -0.457 0.000 0.931 428 F CB 1.569 40.411 39.000 -0.263 0.000 1.198 428 F HN 0.423 nan 8.300 nan 0.000 0.444 429 H N 2.526 121.395 119.070 -0.336 0.000 3.085 429 H HA 0.200 4.758 4.556 0.002 0.000 0.356 429 H C -0.960 174.330 175.328 -0.064 0.000 1.178 429 H CA -1.202 54.630 56.048 -0.361 0.000 1.214 429 H CB 1.817 31.280 29.762 -0.497 0.000 1.881 429 H HN 0.715 nan 8.280 nan 0.000 0.538 430 Y N 0.130 120.479 120.300 0.080 0.000 3.234 430 Y HA -0.251 4.300 4.550 0.002 0.000 0.207 430 Y C -0.116 175.833 175.900 0.082 0.000 1.316 430 Y CA 0.065 58.213 58.100 0.080 0.000 1.309 430 Y CB -1.606 36.911 38.460 0.096 0.000 1.408 430 Y HN 0.479 nan 8.280 nan 0.000 0.544 431 N N 1.334 120.126 118.700 0.153 0.000 3.044 431 N HA 0.149 4.890 4.740 0.002 0.000 0.254 431 N C -1.866 173.692 175.510 0.080 0.000 1.253 431 N CA -1.267 51.863 53.050 0.135 0.000 0.944 431 N CB 0.974 39.564 38.487 0.172 0.000 1.217 431 N HN 0.208 nan 8.380 nan 0.000 0.498 432 P HA -0.106 nan 4.420 nan 0.000 0.221 432 P C 0.615 177.932 177.300 0.030 0.000 1.145 432 P CA 1.247 64.383 63.100 0.059 0.000 0.795 432 P CB 0.502 32.250 31.700 0.080 0.000 0.775 433 K N -0.891 119.525 120.400 0.028 0.000 2.399 433 K HA 0.229 4.550 4.320 0.002 0.000 0.204 433 K C 0.250 176.854 176.600 0.006 0.000 1.023 433 K CA -0.553 55.740 56.287 0.010 0.000 1.127 433 K CB 0.208 32.708 32.500 0.001 0.000 0.856 433 K HN 0.156 nan 8.250 nan 0.000 0.514 434 L N 1.477 122.706 121.223 0.010 0.000 2.295 434 L HA 0.296 4.637 4.340 0.002 0.000 0.281 434 L C -0.588 176.254 176.870 -0.046 0.000 1.018 434 L CA -0.455 54.387 54.840 0.003 0.000 0.841 434 L CB 0.646 42.737 42.059 0.053 0.000 1.218 434 L HN 0.048 nan 8.230 nan 0.000 0.424 435 c N 4.736 123.306 118.600 -0.049 0.000 2.642 435 c HA 0.035 4.606 4.570 0.002 0.000 0.420 435 c C 2.194 176.190 174.090 -0.156 0.000 1.349 435 c CA -0.327 55.956 56.329 -0.077 0.000 1.821 435 c CB -0.159 42.326 42.510 -0.042 0.000 2.637 435 c HN 0.912 nan 8.230 nan 0.000 0.605 436 L N 2.827 123.926 121.223 -0.206 0.000 2.261 436 L HA -0.177 4.165 4.340 0.002 0.000 0.216 436 L C 2.552 179.188 176.870 -0.389 0.000 1.114 436 L CA 1.595 56.191 54.840 -0.406 0.000 0.777 436 L CB -0.389 41.463 42.059 -0.346 0.000 0.910 436 L HN 0.943 nan 8.230 nan 0.000 0.440 437 S N -0.632 114.991 115.700 -0.128 0.000 2.353 437 S HA -0.213 4.258 4.470 0.002 0.000 0.222 437 S C 1.772 176.346 174.600 -0.043 0.000 1.035 437 S CA 1.175 59.359 58.200 -0.026 0.000 1.025 437 S CB -0.460 62.748 63.200 0.013 0.000 0.902 437 S HN 0.415 nan 8.310 nan 0.000 0.440 438 E N 1.697 121.883 120.200 -0.023 0.000 2.070 438 E HA -0.127 4.225 4.350 0.002 0.000 0.197 438 E C 2.178 178.751 176.600 -0.046 0.000 1.004 438 E CA 1.261 57.711 56.400 0.084 0.000 0.805 438 E CB -0.640 29.125 29.700 0.108 0.000 0.744 438 E HN 0.618 nan 8.360 nan 0.000 0.451 439 I N 0.814 121.200 120.570 -0.307 0.000 2.202 439 I HA -0.241 3.930 4.170 0.002 0.000 0.242 439 I C 2.463 178.339 176.117 -0.402 0.000 1.091 439 I CA 1.080 62.040 61.300 -0.566 0.000 1.368 439 I CB -0.442 36.957 38.000 -1.002 0.000 1.058 439 I HN 0.103 nan 8.210 nan 0.000 0.410 440 H N 1.524 120.447 119.070 -0.245 0.000 2.387 440 H HA -0.089 4.468 4.556 0.002 0.000 0.299 440 H C 2.171 177.354 175.328 -0.241 0.000 1.090 440 H CA 1.049 56.974 56.048 -0.204 0.000 1.332 440 H CB -0.311 29.362 29.762 -0.148 0.000 1.386 440 H HN 0.317 nan 8.280 nan 0.000 0.516 441 K N 0.289 120.591 120.400 -0.164 0.000 2.032 441 K HA -0.170 4.151 4.320 0.002 0.000 0.209 441 K C 2.325 178.501 176.600 -0.708 0.000 1.048 441 K CA 1.406 57.482 56.287 -0.351 0.000 0.927 441 K CB -0.245 32.077 32.500 -0.297 0.000 0.712 441 K HN 0.216 nan 8.250 nan 0.000 0.441 442 M N 1.410 120.489 119.600 -0.869 0.000 2.108 442 M HA -0.223 4.258 4.480 0.002 0.000 0.261 442 M C 1.800 177.782 176.300 -0.530 0.000 1.066 442 M CA 1.721 56.414 55.300 -1.012 0.000 1.107 442 M CB -0.024 32.310 32.600 -0.443 0.000 1.356 442 M HN 0.107 nan 8.290 nan 0.000 0.406 443 E N -0.056 119.964 120.200 -0.300 0.000 2.097 443 E HA -0.288 4.063 4.350 0.002 0.000 0.196 443 E C 1.889 178.382 176.600 -0.179 0.000 1.000 443 E CA 1.878 58.184 56.400 -0.158 0.000 0.804 443 E CB -0.096 29.568 29.700 -0.060 0.000 0.740 443 E HN 0.567 nan 8.360 nan 0.000 0.454 444 E N 0.129 120.197 120.200 -0.220 0.000 2.031 444 E HA -0.155 4.197 4.350 0.002 0.000 0.193 444 E C 2.041 178.516 176.600 -0.209 0.000 0.994 444 E CA 1.158 57.447 56.400 -0.185 0.000 0.800 444 E CB -0.017 29.580 29.700 -0.173 0.000 0.752 444 E HN 0.016 nan 8.360 nan 0.000 0.447 445 V N 0.747 120.462 119.914 -0.332 0.000 2.332 445 V HA -0.270 3.852 4.120 0.002 0.000 0.248 445 V C 2.329 178.294 176.094 -0.214 0.000 1.055 445 V CA 2.095 64.219 62.300 -0.293 0.000 1.038 445 V CB -0.725 30.812 31.823 -0.475 0.000 0.651 445 V HN 0.452 nan 8.190 nan 0.000 0.450 446 S N -0.504 115.050 115.700 -0.244 0.000 2.501 446 S HA 0.272 4.743 4.470 0.002 0.000 0.220 446 S C 1.621 176.167 174.600 -0.090 0.000 0.997 446 S CA 0.677 58.783 58.200 -0.156 0.000 0.919 446 S CB 0.576 63.678 63.200 -0.163 0.000 0.778 446 S HN 1.285 nan 8.310 nan 0.000 0.523 447 G N 1.323 110.069 108.800 -0.090 0.000 2.149 447 G HA2 -0.254 3.707 3.960 0.002 0.000 0.235 447 G HA3 -0.254 3.707 3.960 0.002 0.000 0.235 447 G C 0.538 175.420 174.900 -0.029 0.000 1.018 447 G CA 0.614 45.682 45.100 -0.054 0.000 0.728 447 G HN 1.011 nan 8.290 nan 0.000 0.508 448 T N -2.724 111.814 114.554 -0.027 0.000 3.001 448 T HA 0.394 4.746 4.350 0.002 0.000 0.251 448 T C 0.997 175.706 174.700 0.014 0.000 1.040 448 T CA 0.649 62.757 62.100 0.014 0.000 0.985 448 T CB 0.601 69.498 68.868 0.049 0.000 1.011 448 T HN 0.451 nan 8.240 nan 0.000 0.509 449 K N 2.194 122.584 120.400 -0.017 0.000 2.511 449 K HA 0.295 4.616 4.320 0.002 0.000 0.277 449 K C 1.454 178.048 176.600 -0.010 0.000 1.025 449 K CA 1.276 57.550 56.287 -0.021 0.000 1.112 449 K CB -0.775 31.695 32.500 -0.049 0.000 0.859 449 K HN 0.473 nan 8.250 nan 0.000 0.485 450 G N 3.747 112.545 108.800 -0.003 0.000 2.184 450 G HA2 -0.342 3.620 3.960 0.002 0.000 0.264 450 G HA3 -0.342 3.620 3.960 0.002 0.000 0.264 450 G C 0.902 175.811 174.900 0.015 0.000 0.975 450 G CA 0.650 45.750 45.100 0.000 0.000 0.642 450 G HN 0.686 nan 8.290 nan 0.000 0.536 451 R N -0.528 119.991 120.500 0.032 0.000 2.173 451 R HA 0.131 4.472 4.340 0.002 0.000 0.208 451 R C 0.862 177.199 176.300 0.063 0.000 1.035 451 R CA 0.566 56.692 56.100 0.044 0.000 1.004 451 R CB -0.005 30.329 30.300 0.057 0.000 0.917 451 R HN 0.444 nan 8.270 nan 0.000 0.462 452 Q N 1.254 121.104 119.800 0.083 0.000 2.352 452 Q HA 0.051 4.392 4.340 0.002 0.000 0.260 452 Q C -0.149 175.902 176.000 0.085 0.000 0.976 452 Q CA 0.540 56.413 55.803 0.116 0.000 0.881 452 Q CB 0.714 29.531 28.738 0.133 0.000 1.235 452 Q HN 0.005 nan 8.270 nan 0.000 0.419 453 E N 1.400 121.661 120.200 0.103 0.000 2.302 453 E HA 0.196 4.547 4.350 0.002 0.000 0.255 453 E C 0.840 177.490 176.600 0.083 0.000 1.099 453 E CA -0.468 55.980 56.400 0.079 0.000 0.929 453 E CB 0.408 30.155 29.700 0.079 0.000 1.203 453 E HN 0.640 nan 8.360 nan 0.000 0.459 454 R N 0.295 120.833 120.500 0.064 0.000 2.092 454 R HA 0.012 4.353 4.340 0.002 0.000 0.231 454 R C 0.874 177.206 176.300 0.053 0.000 1.119 454 R CA 1.328 57.456 56.100 0.047 0.000 0.970 454 R CB -0.113 30.206 30.300 0.033 0.000 0.864 454 R HN 0.235 nan 8.270 nan 0.000 0.440 455 N N 0.564 119.318 118.700 0.089 0.000 2.336 455 N HA -0.027 4.714 4.740 0.002 0.000 0.189 455 N C 0.220 175.841 175.510 0.185 0.000 1.113 455 N CA 0.425 53.547 53.050 0.120 0.000 0.858 455 N CB 0.245 38.805 38.487 0.123 0.000 0.970 455 N HN 0.273 nan 8.380 nan 0.000 0.471 456 D N 1.055 121.568 120.400 0.188 0.000 2.104 456 D HA -0.025 4.617 4.640 0.002 0.000 0.194 456 D C 0.670 176.944 176.300 -0.043 0.000 0.994 456 D CA 1.063 55.208 54.000 0.241 0.000 0.830 456 D CB 0.406 41.416 40.800 0.349 0.000 0.959 456 D HN 0.292 nan 8.370 nan 0.000 0.452 457 I N 0.614 121.127 120.570 -0.095 0.000 2.389 457 I HA 0.353 4.525 4.170 0.002 0.000 0.288 457 I C -0.149 175.753 176.117 -0.359 0.000 0.999 457 I CA -0.988 60.150 61.300 -0.269 0.000 1.129 457 I CB 1.973 39.907 38.000 -0.109 0.000 1.288 457 I HN -0.190 nan 8.210 nan 0.000 0.444 458 A N 6.637 129.075 122.820 -0.637 0.000 2.409 458 A HA 0.435 4.756 4.320 0.002 0.000 0.262 458 A C 0.962 178.394 177.584 -0.254 0.000 1.113 458 A CA -0.244 51.535 52.037 -0.431 0.000 0.790 458 A CB 0.376 19.060 19.000 -0.526 0.000 1.046 458 A HN 0.898 nan 8.150 nan 0.000 0.496 459 L N 1.501 122.633 121.223 -0.151 0.000 2.179 459 L HA -0.053 4.288 4.340 0.002 0.000 0.208 459 L C 2.028 178.838 176.870 -0.101 0.000 1.096 459 L CA 1.201 55.980 54.840 -0.103 0.000 0.779 459 L CB -0.300 41.725 42.059 -0.055 0.000 0.922 459 L HN 0.768 nan 8.230 nan 0.000 0.443 460 K N -0.582 119.755 120.400 -0.105 0.000 2.379 460 K HA 0.034 4.355 4.320 0.002 0.000 0.194 460 K C 1.473 178.013 176.600 -0.100 0.000 1.031 460 K CA 1.117 57.354 56.287 -0.082 0.000 1.037 460 K CB 0.252 32.717 32.500 -0.058 0.000 0.824 460 K HN 0.326 nan 8.250 nan 0.000 0.516 461 T N -2.334 112.120 114.554 -0.168 0.000 3.043 461 T HA 0.178 4.530 4.350 0.002 0.000 0.272 461 T C 0.139 174.753 174.700 -0.144 0.000 0.990 461 T CA -0.598 61.389 62.100 -0.188 0.000 0.897 461 T CB 0.053 68.652 68.868 -0.448 0.000 1.111 461 T HN -0.150 nan 8.240 nan 0.000 0.529 462 N N 1.597 120.209 118.700 -0.148 0.000 2.501 462 N HA 0.497 5.238 4.740 0.002 0.000 0.245 462 N C 1.010 176.466 175.510 -0.090 0.000 0.974 462 N CA 0.546 53.527 53.050 -0.114 0.000 0.941 462 N CB 1.276 39.654 38.487 -0.183 0.000 1.122 462 N HN 0.554 nan 8.380 nan 0.000 0.507 463 G N 2.201 110.973 108.800 -0.046 0.000 2.213 463 G HA2 -0.305 3.656 3.960 0.002 0.000 0.236 463 G HA3 -0.305 3.656 3.960 0.002 0.000 0.236 463 G C 0.837 175.724 174.900 -0.022 0.000 0.991 463 G CA 0.375 45.453 45.100 -0.037 0.000 0.629 463 G HN 0.638 nan 8.290 nan 0.000 0.517 464 D N 0.618 121.006 120.400 -0.021 0.000 2.239 464 D HA -0.148 4.493 4.640 0.002 0.000 0.202 464 D C 1.468 177.771 176.300 0.005 0.000 0.993 464 D CA 1.259 55.253 54.000 -0.009 0.000 0.874 464 D CB -0.131 40.665 40.800 -0.006 0.000 0.922 464 D HN 0.359 nan 8.370 nan 0.000 0.464 465 K N 0.330 120.737 120.400 0.013 0.000 2.437 465 K HA 0.441 4.763 4.320 0.002 0.000 0.205 465 K C 0.121 176.727 176.600 0.009 0.000 1.026 465 K CA -0.173 56.124 56.287 0.017 0.000 1.153 465 K CB 1.247 33.764 32.500 0.029 0.000 0.863 465 K HN 0.241 nan 8.250 nan 0.000 0.502 466 A N 0.409 123.230 122.820 0.002 0.000 2.413 466 A HA 0.551 4.872 4.320 0.002 0.000 0.307 466 A C -0.461 177.120 177.584 -0.004 0.000 1.087 466 A CA -0.551 51.485 52.037 -0.002 0.000 0.750 466 A CB 1.047 20.044 19.000 -0.005 0.000 1.296 466 A HN 0.072 nan 8.150 nan 0.000 0.423 467 S N 0.443 116.141 115.700 -0.004 0.000 2.430 467 S HA 0.323 4.794 4.470 0.002 0.000 0.282 467 S C -0.487 174.110 174.600 -0.005 0.000 1.186 467 S CA -0.128 58.070 58.200 -0.004 0.000 1.060 467 S CB -0.405 62.794 63.200 -0.002 0.000 0.966 467 S HN 0.598 nan 8.310 nan 0.000 0.501 468 c N 3.335 121.931 118.600 -0.007 0.000 2.362 468 c HA 0.846 5.418 4.570 0.002 0.000 0.309 468 c C 0.561 174.648 174.090 -0.004 0.000 1.110 468 c CA -0.261 56.063 56.329 -0.008 0.000 1.485 468 c CB -0.961 41.539 42.510 -0.017 0.000 1.949 468 c HN 1.060 nan 8.230 nan 0.000 0.419 469 E N 0.000 120.200 120.200 -0.000 0.000 2.725 469 E HA 0.000 4.351 4.350 0.002 0.000 0.291 469 E CA 0.000 nan 56.400 nan 0.000 0.976 469 E CB 0.000 nan 29.700 nan 0.000 0.812 469 E HN 0.000 nan 8.360 nan 0.000 0.440