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 2iuj_1_A DATA FIRST_RESID 8 DATA SEQUENCE GQKIKGTMVV MQKNVLDINS ITSVXXXXXX XXXXXXXALD TVTFLASSIS DATA SEQUENCE IQLISATKAD GGKGKVGKAT NLRGKITLPT IGAKEEAYDA QFDWDSDFGI DATA SEQUENCE PGAFYIKNYM QNEFYLKSLI LEDIPNHGTI HFICNSWVYN SKHYKTDRIF DATA SEQUENCE FANNTYLPSE TPAPLVKYRE EELKNVRGDG TGERKEWDRI YDYDVYNDLG DATA SEQUENCE DPDKGEKYAR PVLGGSALPY PRRGRTGRGK TRKDPNSEKP GDFVYLPRDE DATA SEQUENCE AFGHLKSSDF LAYGIKSVAQ DVLPVLTDAF DGNLLSLDFD NFAEVRKLYE DATA SEQUENCE GGVTLPTNFL SNITPIPIIK ELFRTDGEQF LKYPPPKVMQ VDKSAWMTDE DATA SEQUENCE EFARETIAGL NPNVIKIIEE FPLSSKLDTQ AYGDHTCIIT KEHLEPNLGG DATA SEQUENCE LTVEQAIQNK KLFILDHHDY LIPYLRKINA NTTKTYATRT IFFLKNDGTL DATA SEQUENCE TPLAIELSKP HPQGEEYGPV SEVYVPSSEG VEAYIWLLAK AYVVVNDACY DATA SEQUENCE HQIISHWLNT HAVVEPFVIA TNRHLSVVHP IYKLLFPHYR DTMNINSLAR DATA SEQUENCE KSLVNADGII EKTFLWGRYS LEMSAVIYKD WVFTDQALPN DLVKRGVAVK DATA SEQUENCE DPSAPHGVRL LIEDYPYASD GLEIWDAIKS WVEEYVSFYY KSDEELQKDP DATA SEQUENCE ELQAWWKELV EVGHGDLKDK PWWQKMQTRE ELVEASATLI WIASALHAAV DATA SEQUENCE NFGQYPYGGL ILNRPTISRR FMPEKGSPEY DALAKNPEKE FLKTITGKKE DATA SEQUENCE TLIDLTIIEI LSRHASDEFY LGQRDGGDYW TSDAGPLEAF KRFGKNLEEI DATA SEQUENCE EKKLIEKNND ETLRNRYGPA KMPYTLLYPS SEEGLTFRGI PNSISI 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 8 G C 0.000 174.787 174.900 -0.189 0.000 0.946 8 G CA 0.000 45.000 45.100 -0.166 0.000 0.502 9 Q N 1.392 121.166 119.800 -0.045 0.000 1.935 9 Q HA -0.051 4.284 4.340 -0.008 0.000 0.212 9 Q C 0.508 176.585 176.000 0.128 0.000 1.008 9 Q CA 1.508 57.318 55.803 0.012 0.000 0.868 9 Q CB -0.093 28.659 28.738 0.023 0.000 0.946 9 Q HN 0.330 nan 8.270 nan 0.000 0.418 10 K N 0.836 121.348 120.400 0.186 0.000 2.507 10 K HA 0.447 4.762 4.320 -0.008 0.000 0.252 10 K C -0.650 176.111 176.600 0.268 0.000 0.943 10 K CA -0.494 55.929 56.287 0.227 0.000 0.808 10 K CB 2.007 34.580 32.500 0.121 0.000 1.142 10 K HN 0.448 nan 8.250 nan 0.000 0.426 11 I N -0.650 120.116 120.570 0.326 0.000 2.331 11 I HA 0.362 4.527 4.170 -0.008 0.000 0.292 11 I C 0.195 176.451 176.117 0.232 0.000 0.998 11 I CA -0.818 60.603 61.300 0.201 0.000 1.267 11 I CB 1.125 39.118 38.000 -0.012 0.000 1.386 11 I HN 0.281 nan 8.210 nan 0.000 0.476 12 K N 5.250 125.731 120.400 0.136 0.000 2.292 12 K HA 0.391 4.706 4.320 -0.008 0.000 0.290 12 K C 0.104 176.778 176.600 0.122 0.000 1.083 12 K CA -0.193 56.169 56.287 0.125 0.000 0.918 12 K CB 0.687 33.221 32.500 0.057 0.000 1.089 12 K HN 0.992 nan 8.250 nan 0.000 0.473 13 G N 1.690 110.660 108.800 0.283 0.000 2.348 13 G HA2 0.274 4.229 3.960 -0.008 0.000 0.312 13 G HA3 0.274 4.229 3.960 -0.008 0.000 0.312 13 G C -0.863 174.104 174.900 0.112 0.000 1.126 13 G CA -0.388 44.854 45.100 0.236 0.000 0.865 13 G HN 0.482 nan 8.290 nan 0.000 0.474 14 T N 2.114 116.676 114.554 0.012 0.000 2.965 14 T HA 0.502 4.847 4.350 -0.008 0.000 0.306 14 T C -0.312 174.362 174.700 -0.043 0.000 0.991 14 T CA -0.676 61.417 62.100 -0.012 0.000 1.001 14 T CB 0.710 69.562 68.868 -0.027 0.000 0.984 14 T HN 0.499 nan 8.240 nan 0.000 0.446 15 M N 5.505 125.086 119.600 -0.032 0.000 2.188 15 M HA 0.634 5.109 4.480 -0.008 0.000 0.357 15 M C -1.346 174.904 176.300 -0.084 0.000 1.204 15 M CA -0.472 54.801 55.300 -0.044 0.000 1.095 15 M CB 0.886 33.483 32.600 -0.005 0.000 1.604 15 M HN 0.471 nan 8.290 nan 0.000 0.464 16 V N 5.872 125.738 119.914 -0.080 0.000 2.555 16 V HA 0.762 4.877 4.120 -0.008 0.000 0.302 16 V C -0.458 175.587 176.094 -0.082 0.000 1.038 16 V CA -0.599 61.633 62.300 -0.115 0.000 0.887 16 V CB 1.745 33.521 31.823 -0.078 0.000 0.991 16 V HN 0.783 nan 8.190 nan 0.000 0.434 17 V N 1.853 121.710 119.914 -0.095 0.000 3.206 17 V HA 0.716 4.831 4.120 -0.008 0.000 0.305 17 V C -0.941 175.159 176.094 0.010 0.000 1.257 17 V CA -0.913 61.380 62.300 -0.013 0.000 1.057 17 V CB 2.497 34.354 31.823 0.056 0.000 1.075 17 V HN 0.748 nan 8.190 nan 0.000 0.443 18 M N 2.057 121.708 119.600 0.085 0.000 2.321 18 M HA 0.509 4.984 4.480 -0.008 0.000 0.315 18 M C -0.898 175.509 176.300 0.179 0.000 1.052 18 M CA -0.677 54.692 55.300 0.115 0.000 0.936 18 M CB 2.251 34.938 32.600 0.146 0.000 1.639 18 M HN 0.765 nan 8.290 nan 0.000 0.433 19 Q N 2.288 122.206 119.800 0.197 0.000 2.354 19 Q HA 0.131 4.466 4.340 -0.008 0.000 0.244 19 Q C 0.763 176.963 176.000 0.333 0.000 0.969 19 Q CA 0.173 56.146 55.803 0.283 0.000 0.885 19 Q CB 1.041 29.923 28.738 0.239 0.000 1.241 19 Q HN 0.642 nan 8.270 nan 0.000 0.461 20 K N 2.514 123.166 120.400 0.420 0.000 2.077 20 K HA -0.297 4.018 4.320 -0.008 0.000 0.213 20 K C 1.153 177.913 176.600 0.266 0.000 1.051 20 K CA 2.351 58.888 56.287 0.416 0.000 0.929 20 K CB -0.112 32.535 32.500 0.245 0.000 0.715 20 K HN 0.784 nan 8.250 nan 0.000 0.451 21 N N -0.671 118.147 118.700 0.196 0.000 2.519 21 N HA -0.120 4.615 4.740 -0.008 0.000 0.186 21 N C 1.394 176.996 175.510 0.153 0.000 1.062 21 N CA 0.808 53.944 53.050 0.144 0.000 0.910 21 N CB 0.104 38.662 38.487 0.119 0.000 0.958 21 N HN -0.040 nan 8.380 nan 0.000 0.445 22 V N -0.315 119.712 119.914 0.188 0.000 2.992 22 V HA 0.125 4.239 4.120 -0.008 0.000 0.250 22 V C 0.818 177.039 176.094 0.211 0.000 1.090 22 V CA 0.665 63.070 62.300 0.176 0.000 1.101 22 V CB 0.017 31.935 31.823 0.159 0.000 0.743 22 V HN 0.307 nan 8.190 nan 0.000 0.468 23 L N 0.524 121.908 121.223 0.267 0.000 3.017 23 L HA 0.454 4.789 4.340 -0.008 0.000 0.255 23 L C 0.046 177.134 176.870 0.362 0.000 1.247 23 L CA 0.449 55.474 54.840 0.307 0.000 1.038 23 L CB -0.333 41.923 42.059 0.328 0.000 1.380 23 L HN 0.254 nan 8.230 nan 0.000 0.548 24 D N -0.899 119.665 120.400 0.272 0.000 2.481 24 D HA 0.242 4.877 4.640 -0.008 0.000 0.244 24 D C 1.016 177.310 176.300 -0.009 0.000 1.057 24 D CA -0.422 53.643 54.000 0.107 0.000 0.848 24 D CB 2.353 43.183 40.800 0.050 0.000 1.388 24 D HN -0.054 nan 8.370 nan 0.000 0.475 25 I N 2.575 122.913 120.570 -0.387 0.000 2.439 25 I HA -0.159 4.006 4.170 -0.008 0.000 0.251 25 I C 2.013 178.000 176.117 -0.217 0.000 1.139 25 I CA 0.847 61.833 61.300 -0.523 0.000 1.438 25 I CB -0.525 36.835 38.000 -1.066 0.000 1.085 25 I HN 0.420 nan 8.210 nan 0.000 0.427 26 N N -0.366 118.235 118.700 -0.165 0.000 2.622 26 N HA 0.090 4.825 4.740 -0.008 0.000 0.213 26 N C 0.833 176.331 175.510 -0.020 0.000 1.037 26 N CA 0.051 53.057 53.050 -0.073 0.000 0.999 26 N CB -0.684 37.760 38.487 -0.071 0.000 1.342 26 N HN 0.066 nan 8.380 nan 0.000 0.465 27 S N 1.394 117.087 115.700 -0.012 0.000 2.711 27 S HA 0.033 4.498 4.470 -0.008 0.000 0.320 27 S C 0.579 175.206 174.600 0.044 0.000 1.240 27 S CA 0.421 58.633 58.200 0.021 0.000 1.034 27 S CB -0.512 62.708 63.200 0.033 0.000 0.741 27 S HN 0.378 nan 8.310 nan 0.000 0.496 28 I N 1.542 122.139 120.570 0.045 0.000 8.778 28 I HA -0.232 3.933 4.170 -0.008 0.000 0.301 28 I C 0.865 177.007 176.117 0.042 0.000 1.864 28 I CA 0.453 61.784 61.300 0.051 0.000 2.037 28 I CB -0.869 37.171 38.000 0.067 0.000 3.895 28 I HN 0.819 nan 8.210 nan 0.000 0.170 29 T N 2.122 116.700 114.554 0.041 0.000 3.311 29 T HA 0.224 4.569 4.350 -0.008 0.000 0.239 29 T C 0.910 175.633 174.700 0.037 0.000 0.976 29 T CA 1.302 63.423 62.100 0.035 0.000 1.283 29 T CB 0.690 69.576 68.868 0.030 0.000 1.113 29 T HN 0.734 nan 8.240 nan 0.000 0.392 30 S N -0.437 115.286 115.700 0.038 0.000 4.476 30 S HA 0.240 4.705 4.470 -0.008 0.000 0.193 30 S C -0.171 174.453 174.600 0.040 0.000 1.131 30 S CA 0.313 58.536 58.200 0.038 0.000 1.198 30 S CB -0.368 62.851 63.200 0.031 0.000 1.566 30 S HN 0.341 nan 8.310 nan 0.000 0.507 46 L N 2.293 123.553 121.223 0.063 0.000 3.084 46 L HA 0.207 4.542 4.340 -0.008 0.000 0.238 46 L C 0.791 177.725 176.870 0.106 0.000 1.327 46 L CA 0.597 55.484 54.840 0.078 0.000 1.094 46 L CB -0.690 41.411 42.059 0.070 0.000 1.477 46 L HN 0.872 nan 8.230 nan 0.000 0.514 47 D N -1.506 118.956 120.400 0.104 0.000 2.348 47 D HA -0.142 4.493 4.640 -0.008 0.000 0.216 47 D C 0.964 177.361 176.300 0.161 0.000 0.970 47 D CA 0.283 54.354 54.000 0.120 0.000 0.889 47 D CB -0.376 40.480 40.800 0.094 0.000 0.912 47 D HN 0.282 nan 8.370 nan 0.000 0.524 48 T N -0.771 113.893 114.554 0.183 0.000 1.396 48 T HA -0.230 4.115 4.350 -0.008 0.000 0.668 48 T C 0.499 175.446 174.700 0.412 0.000 0.967 48 T CA 0.661 62.920 62.100 0.266 0.000 3.555 48 T CB -0.766 68.269 68.868 0.279 0.000 1.989 48 T HN 0.151 nan 8.240 nan 0.000 0.356 49 V N 4.207 124.334 119.914 0.356 0.000 2.950 49 V HA 0.321 4.436 4.120 -0.008 0.000 0.231 49 V C 1.496 177.823 176.094 0.388 0.000 1.205 49 V CA 1.362 63.842 62.300 0.301 0.000 1.239 49 V CB 0.650 32.566 31.823 0.155 0.000 1.050 49 V HN 0.895 nan 8.190 nan 0.000 0.498 50 T N 3.341 118.089 114.554 0.322 0.000 3.185 50 T HA 0.335 4.680 4.350 -0.008 0.000 0.287 50 T C -0.669 174.226 174.700 0.325 0.000 1.051 50 T CA 0.094 62.354 62.100 0.267 0.000 1.051 50 T CB -0.855 68.093 68.868 0.134 0.000 1.034 50 T HN 0.180 nan 8.240 nan 0.000 0.685 51 F N 4.114 124.039 119.950 -0.041 0.000 2.396 51 F HA 0.656 5.179 4.527 -0.006 0.000 0.343 51 F C 0.523 176.251 175.800 -0.120 0.000 1.104 51 F CA -1.734 56.167 58.000 -0.166 0.000 1.161 51 F CB 0.484 39.177 39.000 -0.511 0.000 1.146 51 F HN 0.393 nan 8.300 nan 0.000 0.522 52 L N 0.209 121.447 121.223 0.025 0.000 2.775 52 L HA 0.894 5.229 4.340 -0.008 0.000 0.234 52 L C -0.214 176.632 176.870 -0.039 0.000 1.169 52 L CA -1.376 53.462 54.840 -0.004 0.000 1.281 52 L CB 0.592 42.649 42.059 -0.004 0.000 1.616 52 L HN 0.325 nan 8.230 nan 0.000 0.441 53 A N 1.061 123.855 122.820 -0.042 0.000 2.898 53 A HA 0.475 4.790 4.320 -0.008 0.000 0.288 53 A C 0.522 178.065 177.584 -0.069 0.000 1.771 53 A CA 1.158 53.164 52.037 -0.053 0.000 1.383 53 A CB -1.845 17.123 19.000 -0.052 0.000 1.028 53 A HN 1.140 nan 8.150 nan 0.000 0.595 54 S N 0.500 116.170 115.700 -0.049 0.000 3.027 54 S HA -0.057 4.407 4.470 -0.008 0.000 0.857 54 S C 0.518 175.092 174.600 -0.043 0.000 0.980 54 S CA 0.716 58.904 58.200 -0.021 0.000 1.337 54 S CB -1.011 62.083 63.200 -0.177 0.000 0.952 54 S HN 2.009 nan 8.310 nan 0.000 0.241 55 S N 2.825 118.563 115.700 0.062 0.000 3.763 55 S HA 0.251 4.716 4.470 -0.008 0.000 0.118 55 S C -0.803 173.778 174.600 -0.032 0.000 0.813 55 S CA 0.414 58.544 58.200 -0.116 0.000 1.439 55 S CB -0.271 62.620 63.200 -0.516 0.000 1.237 55 S HN 0.877 nan 8.310 nan 0.000 0.332 56 I N 2.193 122.735 120.570 -0.047 0.000 2.582 56 I HA 0.591 4.756 4.170 -0.008 0.000 0.292 56 I C -0.546 175.584 176.117 0.022 0.000 1.066 56 I CA -0.600 60.663 61.300 -0.063 0.000 1.053 56 I CB 2.161 40.088 38.000 -0.123 0.000 1.241 56 I HN 0.310 nan 8.210 nan 0.000 0.421 57 S N 6.763 122.459 115.700 -0.006 0.000 2.536 57 S HA 0.801 5.266 4.470 -0.008 0.000 0.298 57 S C -0.987 173.668 174.600 0.092 0.000 1.083 57 S CA -0.559 57.694 58.200 0.089 0.000 0.995 57 S CB 1.577 64.899 63.200 0.203 0.000 1.058 57 S HN 0.510 nan 8.310 nan 0.000 0.488 58 I N 2.240 122.888 120.570 0.130 0.000 2.545 58 I HA 0.403 4.567 4.170 -0.008 0.000 0.292 58 I C -0.517 175.755 176.117 0.258 0.000 1.040 58 I CA -0.715 60.722 61.300 0.229 0.000 1.068 58 I CB 2.339 40.497 38.000 0.264 0.000 1.251 58 I HN 0.657 nan 8.210 nan 0.000 0.424 59 Q N 5.204 125.156 119.800 0.254 0.000 2.309 59 Q HA 0.666 5.001 4.340 -0.008 0.000 0.264 59 Q C -1.263 174.846 176.000 0.182 0.000 1.008 59 Q CA -0.708 55.225 55.803 0.217 0.000 0.853 59 Q CB 2.967 31.830 28.738 0.208 0.000 1.314 59 Q HN 0.475 nan 8.270 nan 0.000 0.448 60 L N 2.712 124.013 121.223 0.129 0.000 2.309 60 L HA 0.546 4.881 4.340 -0.008 0.000 0.282 60 L C -0.483 176.570 176.870 0.306 0.000 1.036 60 L CA -0.587 54.325 54.840 0.121 0.000 0.806 60 L CB 0.972 43.084 42.059 0.088 0.000 1.220 60 L HN 0.459 nan 8.230 nan 0.000 0.429 61 I N 1.158 121.802 120.570 0.124 0.000 2.525 61 I HA 0.272 4.437 4.170 -0.008 0.000 0.301 61 I C 0.190 176.266 176.117 -0.067 0.000 0.992 61 I CA -0.216 61.086 61.300 0.002 0.000 1.162 61 I CB 2.122 39.886 38.000 -0.392 0.000 1.332 61 I HN 0.511 nan 8.210 nan 0.000 0.458 62 S N 3.077 118.690 115.700 -0.145 0.000 2.489 62 S HA 0.566 5.031 4.470 -0.008 0.000 0.291 62 S C 0.651 175.163 174.600 -0.147 0.000 1.151 62 S CA -0.317 57.656 58.200 -0.378 0.000 1.082 62 S CB 1.590 64.450 63.200 -0.567 0.000 1.019 62 S HN 0.704 nan 8.310 nan 0.000 0.492 63 A N 3.815 126.536 122.820 -0.165 0.000 2.030 63 A HA 0.162 4.477 4.320 -0.008 0.000 0.215 63 A C 1.828 179.359 177.584 -0.088 0.000 1.164 63 A CA 1.069 53.058 52.037 -0.079 0.000 0.697 63 A CB -0.527 18.430 19.000 -0.071 0.000 0.827 63 A HN 0.753 nan 8.150 nan 0.000 0.457 64 T N -0.563 113.912 114.554 -0.131 0.000 3.045 64 T HA 0.160 4.505 4.350 -0.008 0.000 0.239 64 T C 0.396 175.060 174.700 -0.060 0.000 1.008 64 T CA 0.463 62.509 62.100 -0.091 0.000 1.143 64 T CB 0.156 68.965 68.868 -0.099 0.000 0.894 64 T HN 0.099 nan 8.240 nan 0.000 0.451 65 K N 1.734 122.087 120.400 -0.078 0.000 2.274 65 K HA 0.795 5.110 4.320 -0.008 0.000 0.262 65 K C -0.634 175.983 176.600 0.028 0.000 0.961 65 K CA -0.374 55.907 56.287 -0.010 0.000 0.833 65 K CB 2.076 34.591 32.500 0.025 0.000 1.102 65 K HN 0.248 nan 8.250 nan 0.000 0.436 66 A N 1.967 124.815 122.820 0.047 0.000 2.309 66 A HA 0.591 4.905 4.320 -0.008 0.000 0.317 66 A C -0.848 176.782 177.584 0.076 0.000 1.134 66 A CA -0.522 51.554 52.037 0.066 0.000 0.866 66 A CB 0.809 19.833 19.000 0.040 0.000 1.329 66 A HN 0.650 nan 8.150 nan 0.000 0.477 67 D N -0.571 119.875 120.400 0.076 0.000 2.363 67 D HA 0.460 5.095 4.640 -0.008 0.000 0.258 67 D C 0.652 176.977 176.300 0.042 0.000 1.259 67 D CA 1.133 55.173 54.000 0.067 0.000 0.921 67 D CB 0.935 41.790 40.800 0.091 0.000 1.201 67 D HN 1.101 nan 8.370 nan 0.000 0.524 68 G N 1.624 110.440 108.800 0.027 0.000 4.024 68 G HA2 -0.151 3.804 3.960 -0.008 0.000 0.206 68 G HA3 -0.151 3.804 3.960 -0.008 0.000 0.206 68 G C 0.657 175.558 174.900 0.001 0.000 1.608 68 G CA 0.008 45.115 45.100 0.011 0.000 1.221 68 G HN 0.785 nan 8.290 nan 0.000 0.623 69 G N 0.039 108.834 108.800 -0.009 0.000 5.153 69 G HA2 0.506 4.461 3.960 -0.008 0.000 0.213 69 G HA3 0.506 4.461 3.960 -0.008 0.000 0.213 69 G C -0.612 174.260 174.900 -0.047 0.000 1.576 69 G CA 0.616 45.703 45.100 -0.022 0.000 0.640 69 G HN 0.587 nan 8.290 nan 0.000 0.237 70 K N 0.431 120.818 120.400 -0.020 0.000 2.589 70 K HA 0.442 4.757 4.320 -0.008 0.000 0.253 70 K C 0.286 176.959 176.600 0.122 0.000 0.974 70 K CA -0.863 55.404 56.287 -0.033 0.000 0.835 70 K CB 2.378 34.797 32.500 -0.135 0.000 1.272 70 K HN 0.355 nan 8.250 nan 0.000 0.444 71 G N 2.643 111.591 108.800 0.247 0.000 2.353 71 G HA2 -0.032 3.923 3.960 -0.008 0.000 0.239 71 G HA3 -0.032 3.923 3.960 -0.008 0.000 0.239 71 G C -0.068 174.997 174.900 0.274 0.000 1.295 71 G CA 0.008 45.245 45.100 0.228 0.000 0.884 71 G HN 0.420 nan 8.290 nan 0.000 0.537 72 K N -0.188 120.341 120.400 0.216 0.000 2.550 72 K HA 0.165 4.480 4.320 -0.008 0.000 0.280 72 K C 0.200 177.064 176.600 0.439 0.000 0.987 72 K CA 0.266 56.752 56.287 0.332 0.000 1.048 72 K CB 0.947 33.719 32.500 0.452 0.000 0.879 72 K HN 0.346 nan 8.250 nan 0.000 0.491 73 V N 2.452 122.583 119.914 0.362 0.000 2.555 73 V HA 0.822 4.937 4.120 -0.008 0.000 0.302 73 V C -0.401 175.810 176.094 0.194 0.000 1.038 73 V CA -0.242 62.244 62.300 0.310 0.000 0.887 73 V CB 1.614 33.597 31.823 0.268 0.000 0.991 73 V HN 0.733 nan 8.190 nan 0.000 0.434 74 G N 4.423 113.270 108.800 0.080 0.000 2.782 74 G HA2 0.546 4.501 3.960 -0.008 0.000 0.289 74 G HA3 0.546 4.501 3.960 -0.008 0.000 0.289 74 G C -0.845 174.034 174.900 -0.035 0.000 1.463 74 G CA -0.834 44.191 45.100 -0.124 0.000 1.019 74 G HN 0.991 nan 8.290 nan 0.000 0.536 75 K N 0.035 120.435 120.400 -0.000 0.000 5.074 75 K HA -0.081 4.233 4.320 -0.008 0.000 0.601 75 K C 0.766 177.395 176.600 0.049 0.000 1.794 75 K CA 0.882 57.180 56.287 0.019 0.000 1.326 75 K CB -0.404 32.091 32.500 -0.009 0.000 1.856 75 K HN 1.278 nan 8.250 nan 0.000 0.271 76 A N 3.797 126.650 122.820 0.054 0.000 2.561 76 A HA 0.258 4.572 4.320 -0.008 0.000 0.251 76 A C 0.114 177.713 177.584 0.025 0.000 1.062 76 A CA 0.615 52.693 52.037 0.069 0.000 0.761 76 A CB 0.052 19.101 19.000 0.082 0.000 0.986 76 A HN 0.478 nan 8.150 nan 0.000 0.510 77 T N 4.748 119.306 114.554 0.007 0.000 2.786 77 T HA 0.313 4.658 4.350 -0.008 0.000 0.283 77 T C -0.018 174.615 174.700 -0.112 0.000 0.992 77 T CA -0.768 61.259 62.100 -0.121 0.000 0.954 77 T CB 0.631 69.291 68.868 -0.346 0.000 0.934 77 T HN 0.702 nan 8.240 nan 0.000 0.440 78 N N 2.098 120.740 118.700 -0.097 0.000 2.444 78 N HA 0.219 4.954 4.740 -0.008 0.000 0.255 78 N C -0.604 174.838 175.510 -0.114 0.000 1.255 78 N CA -0.581 52.429 53.050 -0.067 0.000 0.933 78 N CB 0.648 39.105 38.487 -0.049 0.000 1.143 78 N HN 0.332 nan 8.380 nan 0.000 0.453 79 L N 2.384 123.558 121.223 -0.082 0.000 2.397 79 L HA 0.229 4.564 4.340 -0.008 0.000 0.263 79 L C 1.405 178.254 176.870 -0.036 0.000 1.136 79 L CA -0.099 54.695 54.840 -0.077 0.000 1.019 79 L CB 0.236 42.247 42.059 -0.081 0.000 1.352 79 L HN 0.262 nan 8.230 nan 0.000 0.420 80 R N 0.927 121.395 120.500 -0.052 0.000 2.397 80 R HA 0.069 4.404 4.340 -0.008 0.000 0.213 80 R C 0.691 176.997 176.300 0.010 0.000 1.102 80 R CA 0.370 56.452 56.100 -0.031 0.000 1.040 80 R CB -0.447 29.814 30.300 -0.065 0.000 0.844 80 R HN 0.644 nan 8.270 nan 0.000 0.478 81 G N -2.145 106.689 108.800 0.057 0.000 2.818 81 G HA2 0.499 4.454 3.960 -0.008 0.000 0.286 81 G HA3 0.499 4.454 3.960 -0.008 0.000 0.286 81 G C -0.621 174.416 174.900 0.228 0.000 1.364 81 G CA -0.471 44.684 45.100 0.091 0.000 0.938 81 G HN 0.107 nan 8.290 nan 0.000 0.490 82 K N -1.152 119.329 120.400 0.135 0.000 2.509 82 K HA 0.151 4.466 4.320 -0.008 0.000 0.168 82 K C -0.171 176.379 176.600 -0.084 0.000 1.582 82 K CA -0.032 56.318 56.287 0.105 0.000 1.067 82 K CB 0.059 32.671 32.500 0.187 0.000 1.432 82 K HN 0.589 nan 8.250 nan 0.000 0.541 83 I N -0.694 119.828 120.570 -0.080 0.000 2.957 83 I HA 0.481 4.646 4.170 -0.008 0.000 0.310 83 I C 0.248 176.304 176.117 -0.103 0.000 1.063 83 I CA -1.136 60.110 61.300 -0.091 0.000 1.033 83 I CB 1.377 39.350 38.000 -0.044 0.000 1.230 83 I HN 0.010 nan 8.210 nan 0.000 0.447 84 T N 0.862 115.362 114.554 -0.089 0.000 2.746 84 T HA -0.077 4.268 4.350 -0.008 0.000 0.267 84 T C 0.377 175.038 174.700 -0.064 0.000 1.022 84 T CA 0.314 62.369 62.100 -0.076 0.000 1.144 84 T CB -0.089 68.750 68.868 -0.049 0.000 1.061 84 T HN 0.578 nan 8.240 nan 0.000 0.470 85 L N 3.342 124.529 121.223 -0.060 0.000 2.965 85 L HA 0.209 4.544 4.340 -0.008 0.000 0.254 85 L C -0.671 176.185 176.870 -0.022 0.000 1.220 85 L CA -1.044 53.770 54.840 -0.043 0.000 1.023 85 L CB -0.205 41.824 42.059 -0.049 0.000 1.355 85 L HN 0.653 nan 8.230 nan 0.000 0.545 86 P HA -0.063 nan 4.420 nan 0.000 0.245 86 P C 0.990 178.280 177.300 -0.016 0.000 1.212 86 P CA 0.723 63.810 63.100 -0.022 0.000 0.774 86 P CB 0.123 31.813 31.700 -0.016 0.000 0.999 87 T N 0.117 114.666 114.554 -0.007 0.000 3.268 87 T HA 0.254 4.598 4.350 -0.008 0.000 0.244 87 T C 1.345 176.047 174.700 0.004 0.000 0.915 87 T CA -0.343 61.759 62.100 0.003 0.000 0.935 87 T CB -1.150 67.727 68.868 0.014 0.000 1.110 87 T HN -0.091 nan 8.240 nan 0.000 0.573 88 I N 0.736 121.297 120.570 -0.015 0.000 2.127 88 I HA 0.206 4.371 4.170 -0.008 0.000 0.241 88 I C 1.611 177.728 176.117 -0.001 0.000 1.075 88 I CA 0.670 61.955 61.300 -0.024 0.000 1.334 88 I CB -0.464 37.498 38.000 -0.064 0.000 1.040 88 I HN 0.555 nan 8.210 nan 0.000 0.405 89 G N -0.301 108.500 108.800 0.002 0.000 2.359 89 G HA2 0.383 4.338 3.960 -0.008 0.000 0.314 89 G HA3 0.383 4.338 3.960 -0.008 0.000 0.314 89 G C -1.396 173.515 174.900 0.018 0.000 1.364 89 G CA -0.454 44.658 45.100 0.021 0.000 0.978 89 G HN 0.428 nan 8.290 nan 0.000 0.615 90 A N 0.170 123.010 122.820 0.033 0.000 2.404 90 A HA 0.658 4.973 4.320 -0.008 0.000 0.273 90 A C 1.147 178.758 177.584 0.044 0.000 1.144 90 A CA 0.987 53.045 52.037 0.035 0.000 0.806 90 A CB -0.353 18.672 19.000 0.042 0.000 1.080 90 A HN 1.670 nan 8.150 nan 0.000 0.509 91 K N 0.656 121.076 120.400 0.034 0.000 3.160 91 K HA -0.164 4.151 4.320 -0.008 0.000 0.280 91 K C -0.519 176.099 176.600 0.030 0.000 1.154 91 K CA 1.583 57.894 56.287 0.040 0.000 0.822 91 K CB -1.241 31.300 32.500 0.068 0.000 1.239 91 K HN 0.903 nan 8.250 nan 0.000 0.489 92 E N 1.009 121.209 120.200 -0.000 0.000 2.158 92 E HA 0.232 4.577 4.350 -0.008 0.000 0.271 92 E C -0.558 175.976 176.600 -0.109 0.000 0.911 92 E CA -0.569 55.812 56.400 -0.032 0.000 0.767 92 E CB 1.506 31.195 29.700 -0.019 0.000 1.120 92 E HN 0.130 nan 8.360 nan 0.000 0.405 93 E N 1.142 121.233 120.200 -0.181 0.000 2.242 93 E HA 0.571 4.916 4.350 -0.008 0.000 0.275 93 E C -0.984 175.289 176.600 -0.546 0.000 1.002 93 E CA -0.735 55.441 56.400 -0.373 0.000 0.841 93 E CB 1.657 31.093 29.700 -0.440 0.000 1.109 93 E HN 0.462 nan 8.360 nan 0.000 0.394 94 A N 2.948 125.353 122.820 -0.692 0.000 2.359 94 A HA 0.547 4.862 4.320 -0.008 0.000 0.303 94 A C -1.603 175.484 177.584 -0.830 0.000 1.066 94 A CA -0.522 51.132 52.037 -0.638 0.000 0.730 94 A CB 0.481 19.294 19.000 -0.311 0.000 1.211 94 A HN 0.584 nan 8.150 nan 0.000 0.439 95 Y N 0.380 120.588 120.300 -0.154 0.000 2.596 95 Y HA 0.636 5.182 4.550 -0.007 0.000 0.326 95 Y C 0.135 175.980 175.900 -0.091 0.000 1.167 95 Y CA -0.406 57.615 58.100 -0.131 0.000 1.246 95 Y CB 1.759 40.135 38.460 -0.139 0.000 1.347 95 Y HN 0.725 nan 8.280 nan 0.000 0.515 96 D N 0.034 120.508 120.400 0.122 0.000 2.934 96 D HA 0.670 5.304 4.640 -0.008 0.000 0.230 96 D C -1.673 174.614 176.300 -0.021 0.000 1.204 96 D CA -0.308 53.710 54.000 0.031 0.000 0.873 96 D CB 1.517 42.324 40.800 0.011 0.000 1.645 96 D HN 0.716 nan 8.370 nan 0.000 0.502 97 A N 3.026 125.806 122.820 -0.066 0.000 2.449 97 A HA 0.642 4.957 4.320 -0.008 0.000 0.302 97 A C -1.274 176.160 177.584 -0.249 0.000 1.048 97 A CA -0.762 51.116 52.037 -0.265 0.000 0.708 97 A CB 1.937 20.592 19.000 -0.576 0.000 1.274 97 A HN 0.391 nan 8.150 nan 0.000 0.410 98 Q N 1.883 121.515 119.800 -0.281 0.000 2.462 98 Q HA 0.330 4.665 4.340 -0.008 0.000 0.247 98 Q C -1.537 174.357 176.000 -0.178 0.000 1.044 98 Q CA 0.153 55.886 55.803 -0.118 0.000 0.803 98 Q CB 0.741 29.449 28.738 -0.050 0.000 1.190 98 Q HN 0.604 nan 8.270 nan 0.000 0.507 99 F N 3.048 122.998 119.950 0.001 0.000 2.444 99 F HA 0.067 4.587 4.527 -0.011 0.000 0.360 99 F C 1.004 176.850 175.800 0.077 0.000 1.106 99 F CA -0.692 57.312 58.000 0.007 0.000 1.170 99 F CB 0.671 39.656 39.000 -0.025 0.000 1.113 99 F HN 0.281 nan 8.300 nan 0.000 0.521 100 D N 4.746 125.251 120.400 0.174 0.000 2.374 100 D HA 0.013 4.648 4.640 -0.008 0.000 0.240 100 D C -0.393 176.018 176.300 0.184 0.000 1.229 100 D CA -0.331 53.761 54.000 0.153 0.000 0.895 100 D CB 0.587 41.416 40.800 0.047 0.000 1.046 100 D HN 0.595 nan 8.370 nan 0.000 0.498 101 W N 3.459 124.769 121.300 0.017 0.000 3.207 101 W HA 0.397 5.051 4.660 -0.010 0.000 0.340 101 W C -0.529 176.022 176.519 0.053 0.000 1.336 101 W CA -0.553 56.791 57.345 -0.002 0.000 1.097 101 W CB 0.470 29.983 29.460 0.088 0.000 1.671 101 W HN 0.290 nan 8.180 nan 0.000 0.636 102 D N -0.778 119.168 120.400 -0.757 0.000 2.973 102 D HA 0.158 4.793 4.640 -0.008 0.000 0.187 102 D C 1.035 176.465 176.300 -1.450 0.000 1.467 102 D CA 1.717 55.157 54.000 -0.933 0.000 1.515 102 D CB 0.221 40.812 40.800 -0.349 0.000 1.182 102 D HN 0.455 nan 8.370 nan 0.000 0.213 103 S N -1.594 113.660 115.700 -0.742 0.000 1.946 103 S HA 0.029 4.494 4.470 -0.008 0.000 0.223 103 S C 0.394 175.004 174.600 0.017 0.000 0.832 103 S CA -0.022 57.969 58.200 -0.349 0.000 1.453 103 S CB -0.176 62.887 63.200 -0.228 0.000 0.947 103 S HN 0.119 nan 8.310 nan 0.000 0.408 104 D N 0.830 121.245 120.400 0.026 0.000 2.340 104 D HA 0.275 4.910 4.640 -0.008 0.000 0.220 104 D C 0.967 177.397 176.300 0.216 0.000 1.039 104 D CA 0.242 54.300 54.000 0.097 0.000 0.866 104 D CB 0.023 40.856 40.800 0.054 0.000 0.913 104 D HN 0.523 nan 8.370 nan 0.000 0.523 105 F N 1.189 121.232 119.950 0.155 0.000 2.387 105 F HA 0.170 4.691 4.527 -0.010 0.000 0.294 105 F C 1.321 177.287 175.800 0.278 0.000 1.093 105 F CA 0.937 59.087 58.000 0.248 0.000 1.420 105 F CB 0.535 39.775 39.000 0.401 0.000 1.086 105 F HN 0.047 nan 8.300 nan 0.000 0.531 106 G N 1.388 110.369 108.800 0.302 0.000 2.698 106 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.225 106 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.225 106 G C -0.919 173.945 174.900 -0.060 0.000 1.345 106 G CA -0.472 44.694 45.100 0.110 0.000 0.871 106 G HN 0.131 nan 8.290 nan 0.000 0.540 107 I N 2.811 123.257 120.570 -0.205 0.000 2.416 107 I HA 0.307 4.472 4.170 -0.008 0.000 0.288 107 I C -1.496 174.364 176.117 -0.428 0.000 1.051 107 I CA -2.219 58.840 61.300 -0.402 0.000 1.375 107 I CB 0.777 38.528 38.000 -0.415 0.000 1.407 107 I HN 0.327 nan 8.210 nan 0.000 0.516 108 P HA 0.196 nan 4.420 nan 0.000 0.276 108 P C 0.221 177.464 177.300 -0.094 0.000 1.235 108 P CA -0.219 62.722 63.100 -0.265 0.000 0.772 108 P CB 1.141 32.745 31.700 -0.161 0.000 0.871 109 G N 1.418 110.225 108.800 0.011 0.000 4.885 109 G HA2 0.573 4.528 3.960 -0.008 0.000 0.263 109 G HA3 0.573 4.528 3.960 -0.008 0.000 0.263 109 G C -0.429 174.646 174.900 0.292 0.000 1.168 109 G CA -0.036 45.132 45.100 0.114 0.000 0.906 109 G HN 0.796 nan 8.290 nan 0.000 0.575 110 A N -0.010 123.064 122.820 0.422 0.000 2.597 110 A HA 0.636 4.951 4.320 -0.008 0.000 0.302 110 A C -1.518 176.079 177.584 0.022 0.000 0.942 110 A CA -0.684 51.458 52.037 0.175 0.000 0.665 110 A CB 0.122 18.986 19.000 -0.227 0.000 1.293 110 A HN 1.621 nan 8.150 nan 0.000 0.415 111 F N -0.910 118.802 119.950 -0.397 0.000 2.654 111 F HA 0.861 5.382 4.527 -0.009 0.000 0.308 111 F C -1.613 173.979 175.800 -0.346 0.000 1.108 111 F CA -1.164 56.610 58.000 -0.377 0.000 0.957 111 F CB 0.889 39.641 39.000 -0.413 0.000 1.309 111 F HN 0.559 nan 8.300 nan 0.000 0.446 112 Y N 2.994 123.262 120.300 -0.053 0.000 2.361 112 Y HA 0.719 5.274 4.550 0.008 0.000 0.332 112 Y C -0.174 175.778 175.900 0.086 0.000 1.101 112 Y CA -1.328 56.693 58.100 -0.132 0.000 1.137 112 Y CB 1.755 40.147 38.460 -0.114 0.000 1.207 112 Y HN 0.792 nan 8.280 nan 0.000 0.463 113 I N 2.391 123.101 120.570 0.233 0.000 2.934 113 I HA 0.511 4.676 4.170 -0.008 0.000 0.306 113 I C -1.557 174.628 176.117 0.113 0.000 1.110 113 I CA -0.961 60.509 61.300 0.284 0.000 1.019 113 I CB 2.057 40.363 38.000 0.510 0.000 1.227 113 I HN 0.505 nan 8.210 nan 0.000 0.434 114 K N 3.707 124.123 120.400 0.028 0.000 2.535 114 K HA 0.302 4.617 4.320 -0.008 0.000 0.250 114 K C -1.445 174.977 176.600 -0.297 0.000 0.948 114 K CA -0.812 55.370 56.287 -0.176 0.000 0.796 114 K CB 1.791 34.039 32.500 -0.420 0.000 1.216 114 K HN 0.443 nan 8.250 nan 0.000 0.432 115 N N 2.333 120.960 118.700 -0.121 0.000 2.425 115 N HA 0.187 4.922 4.740 -0.008 0.000 0.268 115 N C -0.437 174.983 175.510 -0.151 0.000 0.991 115 N CA -0.051 53.009 53.050 0.016 0.000 0.931 115 N CB 0.504 39.129 38.487 0.229 0.000 1.130 115 N HN 0.542 nan 8.380 nan 0.000 0.493 116 Y N 1.674 122.002 120.300 0.047 0.000 2.481 116 Y HA 0.276 4.815 4.550 -0.017 0.000 0.258 116 Y C 1.005 176.872 175.900 -0.056 0.000 1.103 116 Y CA -0.356 57.728 58.100 -0.027 0.000 1.287 116 Y CB 0.342 38.763 38.460 -0.065 0.000 1.108 116 Y HN 0.309 nan 8.280 nan 0.000 0.529 117 M N 0.513 120.145 119.600 0.052 0.000 2.184 117 M HA -0.072 4.403 4.480 -0.008 0.000 0.296 117 M C 1.300 177.618 176.300 0.030 0.000 1.165 117 M CA 0.145 55.446 55.300 0.001 0.000 1.175 117 M CB 0.520 33.105 32.600 -0.026 0.000 1.392 117 M HN 0.156 nan 8.290 nan 0.000 0.457 118 Q N 0.894 120.705 119.800 0.020 0.000 1.990 118 Q HA 0.027 4.362 4.340 -0.008 0.000 0.200 118 Q C 0.139 176.167 176.000 0.048 0.000 0.980 118 Q CA 1.340 57.157 55.803 0.025 0.000 0.832 118 Q CB -0.359 28.392 28.738 0.022 0.000 0.897 118 Q HN 0.599 nan 8.270 nan 0.000 0.427 119 N N 2.081 120.819 118.700 0.063 0.000 2.444 119 N HA 0.003 4.738 4.740 -0.008 0.000 0.255 119 N C 0.176 175.731 175.510 0.076 0.000 1.255 119 N CA 0.075 53.167 53.050 0.070 0.000 0.933 119 N CB 0.580 39.138 38.487 0.119 0.000 1.143 119 N HN 0.176 nan 8.380 nan 0.000 0.453 120 E N 0.547 120.723 120.200 -0.040 0.000 2.283 120 E HA 0.364 4.709 4.350 -0.008 0.000 0.267 120 E C -0.820 175.938 176.600 0.263 0.000 1.045 120 E CA -0.437 55.894 56.400 -0.115 0.000 0.884 120 E CB 0.741 29.968 29.700 -0.789 0.000 1.106 120 E HN 0.435 nan 8.360 nan 0.000 0.408 121 F N -1.175 118.963 119.950 0.314 0.000 2.577 121 F HA 0.449 4.970 4.527 -0.010 0.000 0.318 121 F C -1.156 174.698 175.800 0.091 0.000 1.065 121 F CA -1.798 56.365 58.000 0.271 0.000 0.929 121 F CB 0.905 40.051 39.000 0.244 0.000 1.237 121 F HN 0.465 nan 8.300 nan 0.000 0.468 122 Y N 3.967 124.044 120.300 -0.372 0.000 2.556 122 Y HA 0.453 4.998 4.550 -0.009 0.000 0.352 122 Y C -0.395 175.399 175.900 -0.177 0.000 1.006 122 Y CA -1.218 56.367 58.100 -0.858 0.000 1.277 122 Y CB 0.742 38.503 38.460 -1.164 0.000 1.136 122 Y HN 0.754 nan 8.280 nan 0.000 0.523 123 L N 7.302 128.343 121.223 -0.304 0.000 2.315 123 L HA 0.210 4.545 4.340 -0.008 0.000 0.283 123 L C 0.280 176.854 176.870 -0.493 0.000 1.089 123 L CA -0.017 54.741 54.840 -0.137 0.000 0.833 123 L CB 0.638 42.699 42.059 0.003 0.000 1.170 123 L HN 0.591 nan 8.230 nan 0.000 0.442 124 K N 2.768 122.977 120.400 -0.317 0.000 2.063 124 K HA 0.221 4.536 4.320 -0.008 0.000 0.204 124 K C 0.480 176.998 176.600 -0.136 0.000 1.039 124 K CA 1.109 57.236 56.287 -0.268 0.000 0.957 124 K CB -0.327 32.102 32.500 -0.119 0.000 0.764 124 K HN 0.790 nan 8.250 nan 0.000 0.447 125 S N -0.550 115.115 115.700 -0.058 0.000 2.625 125 S HA 0.647 5.112 4.470 -0.008 0.000 0.271 125 S C -1.462 173.160 174.600 0.036 0.000 1.161 125 S CA -1.045 57.176 58.200 0.035 0.000 0.820 125 S CB 1.673 64.925 63.200 0.087 0.000 1.137 125 S HN 0.086 nan 8.310 nan 0.000 0.470 126 L N 1.409 122.696 121.223 0.107 0.000 2.528 126 L HA 0.674 5.009 4.340 -0.008 0.000 0.267 126 L C -1.327 175.612 176.870 0.115 0.000 0.961 126 L CA -0.724 54.110 54.840 -0.010 0.000 0.866 126 L CB 1.561 43.395 42.059 -0.374 0.000 1.248 126 L HN 0.891 nan 8.230 nan 0.000 0.404 127 I N 2.035 122.594 120.570 -0.019 0.000 2.321 127 I HA 0.431 4.596 4.170 -0.008 0.000 0.291 127 I C -1.007 175.043 176.117 -0.112 0.000 0.998 127 I CA -0.719 60.506 61.300 -0.124 0.000 1.227 127 I CB 1.502 39.364 38.000 -0.230 0.000 1.368 127 I HN 0.519 nan 8.210 nan 0.000 0.466 128 L N 6.987 128.149 121.223 -0.102 0.000 2.352 128 L HA 0.403 4.738 4.340 -0.008 0.000 0.272 128 L C 0.399 177.188 176.870 -0.134 0.000 1.109 128 L CA 0.327 55.097 54.840 -0.116 0.000 0.952 128 L CB -0.207 41.814 42.059 -0.063 0.000 1.314 128 L HN 0.715 nan 8.230 nan 0.000 0.427 129 E N 1.363 121.503 120.200 -0.100 0.000 3.218 129 E HA 0.091 4.436 4.350 -0.008 0.000 0.265 129 E C 0.069 176.656 176.600 -0.022 0.000 1.393 129 E CA -0.624 55.733 56.400 -0.072 0.000 1.160 129 E CB 0.346 30.012 29.700 -0.057 0.000 1.272 129 E HN 0.352 nan 8.360 nan 0.000 0.720 130 D N 0.334 120.738 120.400 0.006 0.000 2.839 130 D HA -0.241 4.394 4.640 -0.008 0.000 0.229 130 D C -0.254 176.107 176.300 0.101 0.000 1.170 130 D CA 0.856 54.886 54.000 0.050 0.000 0.698 130 D CB -1.282 39.553 40.800 0.059 0.000 1.067 130 D HN 0.323 nan 8.370 nan 0.000 0.422 131 I N 0.947 121.563 120.570 0.077 0.000 2.436 131 I HA 0.128 4.293 4.170 -0.008 0.000 0.289 131 I C -1.876 174.373 176.117 0.221 0.000 1.083 131 I CA -1.556 59.820 61.300 0.127 0.000 1.372 131 I CB 0.864 38.821 38.000 -0.072 0.000 1.408 131 I HN -0.245 nan 8.210 nan 0.000 0.516 132 P HA 0.072 nan 4.420 nan 0.000 0.268 132 P C -0.520 176.924 177.300 0.240 0.000 1.204 132 P CA 0.258 63.508 63.100 0.249 0.000 0.768 132 P CB 0.651 32.489 31.700 0.230 0.000 0.842 133 N N -1.211 117.580 118.700 0.152 0.000 2.929 133 N HA -0.205 4.530 4.740 -0.008 0.000 0.234 133 N C 0.265 175.855 175.510 0.132 0.000 0.908 133 N CA 1.487 54.611 53.050 0.123 0.000 0.993 133 N CB -1.522 37.044 38.487 0.132 0.000 1.075 133 N HN 0.728 nan 8.380 nan 0.000 0.603 134 H N -0.211 118.892 119.070 0.055 0.000 2.834 134 H HA 0.585 5.136 4.556 -0.008 0.000 0.369 134 H C 0.162 175.479 175.328 -0.018 0.000 1.174 134 H CA 0.232 56.286 56.048 0.011 0.000 1.165 134 H CB 1.660 31.420 29.762 -0.003 0.000 1.820 134 H HN 0.118 nan 8.280 nan 0.000 0.558 135 G N 0.279 108.867 108.800 -0.352 0.000 2.476 135 G HA2 0.154 4.109 3.960 -0.008 0.000 0.286 135 G HA3 0.154 4.109 3.960 -0.008 0.000 0.286 135 G C -0.317 174.593 174.900 0.017 0.000 1.177 135 G CA -0.392 44.625 45.100 -0.140 0.000 0.870 135 G HN 0.527 nan 8.290 nan 0.000 0.528 136 T N 0.639 115.153 114.554 -0.067 0.000 2.800 136 T HA 0.068 4.413 4.350 -0.008 0.000 0.283 136 T C 0.524 175.090 174.700 -0.224 0.000 0.999 136 T CA 0.289 62.300 62.100 -0.148 0.000 1.176 136 T CB -0.675 68.085 68.868 -0.181 0.000 0.973 136 T HN 0.244 nan 8.240 nan 0.000 0.519 137 I N 5.267 125.684 120.570 -0.255 0.000 2.392 137 I HA 0.337 4.501 4.170 -0.008 0.000 0.295 137 I C 0.006 175.827 176.117 -0.492 0.000 0.985 137 I CA -0.996 60.117 61.300 -0.310 0.000 1.221 137 I CB 1.341 39.180 38.000 -0.267 0.000 1.366 137 I HN 0.695 nan 8.210 nan 0.000 0.467 138 H N 5.117 123.967 119.070 -0.367 0.000 2.459 138 H HA 0.475 5.026 4.556 -0.009 0.000 0.332 138 H C -1.239 173.829 175.328 -0.434 0.000 1.094 138 H CA -0.214 55.659 56.048 -0.291 0.000 1.224 138 H CB 1.084 30.708 29.762 -0.230 0.000 1.449 138 H HN 0.299 nan 8.280 nan 0.000 0.484 139 F N 3.300 123.309 119.950 0.099 0.000 2.402 139 F HA 0.305 4.828 4.527 -0.007 0.000 0.355 139 F C -0.407 175.461 175.800 0.113 0.000 1.123 139 F CA -0.799 57.288 58.000 0.145 0.000 1.021 139 F CB 0.984 40.141 39.000 0.262 0.000 1.160 139 F HN 0.351 nan 8.300 nan 0.000 0.451 140 I N 3.565 124.264 120.570 0.215 0.000 2.306 140 I HA 0.179 4.344 4.170 -0.008 0.000 0.288 140 I C 0.333 176.497 176.117 0.078 0.000 1.036 140 I CA -0.137 61.244 61.300 0.135 0.000 1.221 140 I CB 0.586 38.661 38.000 0.125 0.000 1.385 140 I HN 0.764 nan 8.210 nan 0.000 0.472 141 C N 3.964 123.246 119.300 -0.031 0.000 3.082 141 C HA 0.135 4.590 4.460 -0.008 0.000 0.281 141 C C 1.063 175.976 174.990 -0.129 0.000 1.450 141 C CA 0.011 58.917 59.018 -0.188 0.000 1.688 141 C CB -0.558 26.846 27.740 -0.560 0.000 2.049 141 C HN 0.876 nan 8.230 nan 0.000 0.641 142 N N 1.173 119.704 118.700 -0.283 0.000 2.696 142 N HA -0.146 4.589 4.740 -0.008 0.000 0.256 142 N C -0.584 174.872 175.510 -0.089 0.000 1.031 142 N CA 1.198 54.058 53.050 -0.317 0.000 0.730 142 N CB -1.018 37.519 38.487 0.083 0.000 0.894 142 N HN 0.633 nan 8.380 nan 0.000 0.544 143 S N -0.940 114.573 115.700 -0.312 0.000 2.537 143 S HA 0.619 5.084 4.470 -0.008 0.000 0.270 143 S C -1.168 173.459 174.600 0.044 0.000 1.142 143 S CA -0.803 57.490 58.200 0.154 0.000 0.870 143 S CB 0.841 64.252 63.200 0.351 0.000 1.112 143 S HN 0.277 nan 8.310 nan 0.000 0.466 144 W N 2.226 123.756 121.300 0.383 0.000 2.316 144 W HA 0.592 5.245 4.660 -0.011 0.000 0.321 144 W C -0.354 176.251 176.519 0.143 0.000 1.203 144 W CA -0.419 57.084 57.345 0.263 0.000 1.214 144 W CB 1.123 30.763 29.460 0.299 0.000 1.169 144 W HN 0.394 nan 8.180 nan 0.000 0.561 145 V N 4.664 124.551 119.914 -0.045 0.000 2.376 145 V HA 0.220 4.335 4.120 -0.008 0.000 0.287 145 V C -0.417 175.665 176.094 -0.020 0.000 1.015 145 V CA -1.162 61.116 62.300 -0.037 0.000 0.834 145 V CB -0.106 31.462 31.823 -0.426 0.000 1.001 145 V HN 0.355 nan 8.190 nan 0.000 0.428 146 Y N 2.510 123.004 120.300 0.322 0.000 2.260 146 Y HA 0.194 4.738 4.550 -0.010 0.000 0.339 146 Y C 1.122 177.128 175.900 0.176 0.000 1.317 146 Y CA -0.152 58.068 58.100 0.200 0.000 1.514 146 Y CB 0.409 38.908 38.460 0.064 0.000 1.382 146 Y HN 0.697 nan 8.280 nan 0.000 0.581 147 N N -0.345 118.469 118.700 0.190 0.000 2.345 147 N HA -0.083 4.652 4.740 -0.008 0.000 0.243 147 N C 0.924 176.399 175.510 -0.058 0.000 1.246 147 N CA 0.702 53.759 53.050 0.011 0.000 0.863 147 N CB 0.600 39.007 38.487 -0.132 0.000 1.096 147 N HN 0.624 nan 8.380 nan 0.000 0.446 148 S N 1.999 117.698 115.700 -0.002 0.000 2.465 148 S HA -0.108 4.357 4.470 -0.008 0.000 0.241 148 S C 1.284 175.869 174.600 -0.024 0.000 1.000 148 S CA 0.739 58.980 58.200 0.069 0.000 0.964 148 S CB -0.115 63.090 63.200 0.009 0.000 0.763 148 S HN 0.527 nan 8.310 nan 0.000 0.512 149 K N 0.854 121.112 120.400 -0.237 0.000 2.305 149 K HA 0.111 4.426 4.320 -0.008 0.000 0.199 149 K C 1.426 177.749 176.600 -0.461 0.000 1.047 149 K CA 0.706 56.804 56.287 -0.316 0.000 0.976 149 K CB -0.412 31.879 32.500 -0.348 0.000 0.765 149 K HN 0.678 nan 8.250 nan 0.000 0.474 150 H N -1.258 117.437 119.070 -0.625 0.000 2.524 150 H HA -0.019 4.533 4.556 -0.006 0.000 0.282 150 H C -0.193 174.677 175.328 -0.763 0.000 1.016 150 H CA 0.390 55.796 56.048 -1.071 0.000 1.270 150 H CB 0.099 28.902 29.762 -1.599 0.000 1.394 150 H HN 0.061 nan 8.280 nan 0.000 0.568 151 Y N -0.023 120.223 120.300 -0.089 0.000 2.377 151 Y HA 0.172 4.712 4.550 -0.017 0.000 0.339 151 Y C 1.141 177.019 175.900 -0.037 0.000 1.011 151 Y CA -0.932 57.154 58.100 -0.025 0.000 1.093 151 Y CB 1.663 40.118 38.460 -0.008 0.000 1.201 151 Y HN -0.178 nan 8.280 nan 0.000 0.455 152 K N 0.772 121.258 120.400 0.143 0.000 2.007 152 K HA -0.002 4.313 4.320 -0.008 0.000 0.206 152 K C -0.008 176.616 176.600 0.040 0.000 1.047 152 K CA 1.127 57.455 56.287 0.068 0.000 0.937 152 K CB 0.065 32.604 32.500 0.065 0.000 0.718 152 K HN 0.646 nan 8.250 nan 0.000 0.438 153 T N 1.982 116.564 114.554 0.046 0.000 2.795 153 T HA 0.154 4.499 4.350 -0.008 0.000 0.282 153 T C -0.960 173.694 174.700 -0.077 0.000 0.980 153 T CA -0.755 61.328 62.100 -0.030 0.000 1.012 153 T CB 1.355 70.237 68.868 0.024 0.000 0.936 153 T HN 0.100 nan 8.240 nan 0.000 0.457 154 D N 2.306 122.576 120.400 -0.216 0.000 2.362 154 D HA 0.116 4.751 4.640 -0.008 0.000 0.242 154 D C 0.554 176.742 176.300 -0.187 0.000 1.132 154 D CA -0.399 53.470 54.000 -0.218 0.000 0.907 154 D CB 0.566 41.229 40.800 -0.229 0.000 1.195 154 D HN 0.119 nan 8.370 nan 0.000 0.429 155 R N 1.340 121.615 120.500 -0.375 0.000 2.488 155 R HA 0.090 4.425 4.340 -0.008 0.000 0.317 155 R C 0.019 175.992 176.300 -0.546 0.000 0.941 155 R CA 0.119 55.901 56.100 -0.530 0.000 1.076 155 R CB -0.681 29.289 30.300 -0.549 0.000 0.917 155 R HN 0.496 nan 8.270 nan 0.000 0.407 156 I N 3.934 124.084 120.570 -0.699 0.000 2.392 156 I HA 0.335 4.500 4.170 -0.008 0.000 0.295 156 I C -0.965 174.362 176.117 -1.316 0.000 0.985 156 I CA -0.830 59.878 61.300 -0.988 0.000 1.221 156 I CB 0.648 38.037 38.000 -1.018 0.000 1.366 156 I HN 0.283 nan 8.210 nan 0.000 0.467 157 F N 7.287 126.688 119.950 -0.915 0.000 2.460 157 F HA 0.446 4.970 4.527 -0.006 0.000 0.341 157 F C -0.348 175.156 175.800 -0.493 0.000 1.130 157 F CA -0.501 57.068 58.000 -0.719 0.000 0.962 157 F CB 1.060 39.471 39.000 -0.982 0.000 1.171 157 F HN 0.211 nan 8.300 nan 0.000 0.436 158 F N 1.653 121.669 119.950 0.110 0.000 2.378 158 F HA 0.646 5.169 4.527 -0.006 0.000 0.319 158 F C 0.898 176.896 175.800 0.329 0.000 1.155 158 F CA -0.709 57.408 58.000 0.195 0.000 1.157 158 F CB 0.512 39.560 39.000 0.079 0.000 1.252 158 F HN 0.525 nan 8.300 nan 0.000 0.550 159 A N 1.003 123.996 122.820 0.288 0.000 2.296 159 A HA 0.212 4.527 4.320 -0.008 0.000 0.264 159 A C 0.715 178.229 177.584 -0.116 0.000 1.097 159 A CA -0.530 51.313 52.037 -0.323 0.000 0.811 159 A CB -0.038 18.579 19.000 -0.638 0.000 1.072 159 A HN 0.805 nan 8.150 nan 0.000 0.495 160 N N 0.935 119.523 118.700 -0.186 0.000 2.523 160 N HA -0.074 4.661 4.740 -0.008 0.000 0.208 160 N C -0.676 174.719 175.510 -0.192 0.000 1.313 160 N CA 0.131 53.112 53.050 -0.114 0.000 0.853 160 N CB -0.792 37.651 38.487 -0.074 0.000 1.090 160 N HN 0.538 nan 8.380 nan 0.000 0.463 161 N N 0.482 119.017 118.700 -0.275 0.000 2.411 161 N HA 0.056 4.791 4.740 -0.008 0.000 0.259 161 N C -0.642 174.458 175.510 -0.683 0.000 1.103 161 N CA 0.052 52.795 53.050 -0.511 0.000 0.954 161 N CB 0.706 38.786 38.487 -0.680 0.000 1.085 161 N HN 0.125 nan 8.380 nan 0.000 0.485 162 T N 2.773 117.032 114.554 -0.493 0.000 2.884 162 T HA 0.185 4.530 4.350 -0.008 0.000 0.298 162 T C -0.670 173.743 174.700 -0.477 0.000 0.998 162 T CA 0.413 62.299 62.100 -0.356 0.000 1.124 162 T CB 0.101 68.886 68.868 -0.139 0.000 0.931 162 T HN 0.248 nan 8.240 nan 0.000 0.531 163 Y N 1.906 122.141 120.300 -0.109 0.000 2.396 163 Y HA 0.448 4.993 4.550 -0.009 0.000 0.332 163 Y C -0.260 175.532 175.900 -0.180 0.000 1.034 163 Y CA -1.355 56.675 58.100 -0.116 0.000 1.057 163 Y CB 0.844 39.236 38.460 -0.113 0.000 1.220 163 Y HN 0.407 nan 8.280 nan 0.000 0.440 164 L N 5.363 126.573 121.223 -0.021 0.000 2.476 164 L HA 0.277 4.612 4.340 -0.008 0.000 0.255 164 L C -1.306 175.571 176.870 0.013 0.000 1.218 164 L CA -1.228 53.533 54.840 -0.131 0.000 0.819 164 L CB 0.220 42.189 42.059 -0.149 0.000 1.119 164 L HN 0.404 nan 8.230 nan 0.000 0.485 165 P HA -0.128 nan 4.420 nan 0.000 0.215 165 P C 0.263 177.570 177.300 0.012 0.000 1.157 165 P CA 1.283 64.421 63.100 0.063 0.000 0.868 165 P CB 0.105 31.873 31.700 0.114 0.000 0.788 166 S N -1.154 114.557 115.700 0.020 0.000 3.697 166 S HA 0.232 4.697 4.470 -0.008 0.000 0.207 166 S C 0.594 175.185 174.600 -0.015 0.000 1.459 166 S CA -0.166 58.035 58.200 0.001 0.000 1.122 166 S CB -0.802 62.411 63.200 0.021 0.000 1.311 166 S HN 0.152 nan 8.310 nan 0.000 0.487 167 E N -0.002 120.174 120.200 -0.040 0.000 2.436 167 E HA 0.031 4.376 4.350 -0.008 0.000 0.167 167 E C -0.862 175.609 176.600 -0.216 0.000 0.898 167 E CA 0.030 56.407 56.400 -0.039 0.000 1.354 167 E CB 0.338 30.073 29.700 0.057 0.000 1.442 167 E HN 0.553 nan 8.360 nan 0.000 0.671 168 T N 2.830 117.217 114.554 -0.279 0.000 2.901 168 T HA 0.240 4.585 4.350 -0.008 0.000 0.301 168 T C -2.489 171.955 174.700 -0.426 0.000 1.012 168 T CA -0.936 60.855 62.100 -0.516 0.000 1.135 168 T CB 0.845 69.544 68.868 -0.281 0.000 0.936 168 T HN -0.012 nan 8.240 nan 0.000 0.539 169 P HA 0.015 nan 4.420 nan 0.000 0.259 169 P C 0.499 177.711 177.300 -0.147 0.000 1.155 169 P CA 0.085 63.026 63.100 -0.265 0.000 0.759 169 P CB 0.220 31.777 31.700 -0.238 0.000 0.753 170 A N 7.461 130.224 122.820 -0.096 0.000 2.019 170 A HA -0.089 4.226 4.320 -0.008 0.000 0.219 170 A C -0.288 177.276 177.584 -0.033 0.000 1.164 170 A CA 1.268 53.270 52.037 -0.060 0.000 0.644 170 A CB -1.911 17.062 19.000 -0.045 0.000 0.805 170 A HN 0.475 nan 8.150 nan 0.000 0.449 171 P HA -0.084 nan 4.420 nan 0.000 0.221 171 P C 1.173 178.549 177.300 0.126 0.000 1.150 171 P CA 0.819 63.946 63.100 0.046 0.000 0.800 171 P CB -0.101 31.632 31.700 0.055 0.000 0.787 172 L N -0.655 120.632 121.223 0.108 0.000 2.529 172 L HA 0.001 4.336 4.340 -0.008 0.000 0.223 172 L C 2.544 179.479 176.870 0.108 0.000 1.113 172 L CA 0.267 55.241 54.840 0.223 0.000 0.861 172 L CB -0.678 41.477 42.059 0.159 0.000 1.012 172 L HN -0.160 nan 8.230 nan 0.000 0.461 173 V N -1.815 118.091 119.914 -0.013 0.000 2.324 173 V HA -0.298 3.817 4.120 -0.008 0.000 0.250 173 V C 2.373 178.453 176.094 -0.023 0.000 1.060 173 V CA 1.767 64.045 62.300 -0.036 0.000 1.042 173 V CB -0.790 31.003 31.823 -0.050 0.000 0.650 173 V HN 0.353 nan 8.190 nan 0.000 0.450 174 K N -0.957 119.392 120.400 -0.084 0.000 2.103 174 K HA -0.029 4.286 4.320 -0.008 0.000 0.204 174 K C 2.062 178.589 176.600 -0.123 0.000 1.052 174 K CA 1.531 57.730 56.287 -0.146 0.000 0.945 174 K CB -0.300 32.042 32.500 -0.264 0.000 0.722 174 K HN 0.602 nan 8.250 nan 0.000 0.443 175 Y N 0.343 120.702 120.300 0.099 0.000 2.293 175 Y HA -0.081 4.461 4.550 -0.013 0.000 0.291 175 Y C 2.305 178.379 175.900 0.291 0.000 1.137 175 Y CA 0.977 59.163 58.100 0.145 0.000 1.202 175 Y CB -0.164 38.362 38.460 0.111 0.000 0.990 175 Y HN 0.007 nan 8.280 nan 0.000 0.537 176 R N 0.572 121.287 120.500 0.358 0.000 2.073 176 R HA -0.143 4.192 4.340 -0.008 0.000 0.229 176 R C 2.369 178.714 176.300 0.075 0.000 1.120 176 R CA 1.337 57.509 56.100 0.120 0.000 0.967 176 R CB -0.189 30.029 30.300 -0.136 0.000 0.862 176 R HN 0.315 nan 8.270 nan 0.000 0.436 177 E N 1.180 121.415 120.200 0.057 0.000 2.031 177 E HA -0.278 4.067 4.350 -0.008 0.000 0.193 177 E C 1.614 178.247 176.600 0.056 0.000 0.994 177 E CA 1.695 58.118 56.400 0.038 0.000 0.800 177 E CB -0.172 29.539 29.700 0.018 0.000 0.752 177 E HN 0.457 nan 8.360 nan 0.000 0.447 178 E N 0.118 120.365 120.200 0.079 0.000 2.085 178 E HA -0.246 4.099 4.350 -0.008 0.000 0.194 178 E C 1.996 178.657 176.600 0.102 0.000 0.994 178 E CA 1.610 58.064 56.400 0.090 0.000 0.801 178 E CB -0.071 29.699 29.700 0.117 0.000 0.743 178 E HN 0.172 nan 8.360 nan 0.000 0.453 179 E N 0.021 120.302 120.200 0.135 0.000 2.208 179 E HA -0.137 4.208 4.350 -0.008 0.000 0.193 179 E C 1.679 178.318 176.600 0.066 0.000 0.988 179 E CA 0.536 57.004 56.400 0.114 0.000 0.828 179 E CB -0.075 29.749 29.700 0.206 0.000 0.763 179 E HN 0.221 nan 8.360 nan 0.000 0.478 180 L N -0.084 121.164 121.223 0.042 0.000 2.375 180 L HA 0.141 4.476 4.340 -0.008 0.000 0.215 180 L C 1.661 178.525 176.870 -0.010 0.000 1.108 180 L CA 1.077 55.913 54.840 -0.006 0.000 0.830 180 L CB -0.140 41.901 42.059 -0.031 0.000 0.959 180 L HN -0.055 nan 8.230 nan 0.000 0.457 181 K N -0.332 120.079 120.400 0.018 0.000 2.062 181 K HA -0.003 4.311 4.320 -0.008 0.000 0.205 181 K C 1.786 178.410 176.600 0.040 0.000 1.051 181 K CA 1.338 57.640 56.287 0.024 0.000 0.941 181 K CB -0.285 32.236 32.500 0.036 0.000 0.719 181 K HN 0.380 nan 8.250 nan 0.000 0.440 182 N N -0.561 118.172 118.700 0.056 0.000 2.331 182 N HA -0.087 4.648 4.740 -0.008 0.000 0.180 182 N C 1.247 176.811 175.510 0.089 0.000 1.019 182 N CA 0.470 53.562 53.050 0.071 0.000 0.881 182 N CB 0.226 38.758 38.487 0.075 0.000 0.972 182 N HN -0.116 nan 8.380 nan 0.000 0.435 183 V N 0.705 120.678 119.914 0.098 0.000 2.788 183 V HA -0.051 4.064 4.120 -0.008 0.000 0.251 183 V C 2.210 178.400 176.094 0.159 0.000 1.068 183 V CA 1.181 63.582 62.300 0.169 0.000 1.090 183 V CB -0.265 31.656 31.823 0.163 0.000 0.710 183 V HN 0.208 nan 8.190 nan 0.000 0.467 184 R N 0.404 120.947 120.500 0.071 0.000 2.073 184 R HA 0.054 4.389 4.340 -0.008 0.000 0.229 184 R C 1.368 177.696 176.300 0.046 0.000 1.120 184 R CA 0.729 56.852 56.100 0.038 0.000 0.967 184 R CB -0.500 29.792 30.300 -0.014 0.000 0.862 184 R HN 0.553 nan 8.270 nan 0.000 0.436 185 G N 3.315 112.142 108.800 0.046 0.000 2.203 185 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.227 185 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.227 185 G C 0.273 175.188 174.900 0.025 0.000 0.477 185 G CA 0.843 45.964 45.100 0.036 0.000 1.025 185 G HN 0.750 nan 8.290 nan 0.000 0.388 186 D N 0.462 120.879 120.400 0.028 0.000 7.249 186 D HA -0.283 4.352 4.640 -0.008 0.000 0.176 186 D C 1.757 178.070 176.300 0.022 0.000 2.222 186 D CA 3.038 57.053 54.000 0.026 0.000 0.608 186 D CB -1.068 39.743 40.800 0.020 0.000 0.450 186 D HN 2.284 nan 8.370 nan 0.000 0.915 187 G N -1.196 107.614 108.800 0.016 0.000 2.142 187 G HA2 -0.079 3.876 3.960 -0.008 0.000 0.225 187 G HA3 -0.079 3.876 3.960 -0.008 0.000 0.225 187 G C 0.197 175.097 174.900 -0.000 0.000 1.015 187 G CA 1.163 46.272 45.100 0.015 0.000 0.716 187 G HN 1.445 nan 8.290 nan 0.000 0.508 188 T N -2.632 111.915 114.554 -0.012 0.000 2.909 188 T HA 0.913 5.258 4.350 -0.008 0.000 0.299 188 T C 0.307 174.982 174.700 -0.043 0.000 1.073 188 T CA 0.409 62.496 62.100 -0.021 0.000 0.999 188 T CB 2.378 71.238 68.868 -0.013 0.000 1.098 188 T HN 2.433 nan 8.240 nan 0.000 0.477 189 G N 1.226 109.994 108.800 -0.054 0.000 2.712 189 G HA2 0.027 3.982 3.960 -0.008 0.000 0.686 189 G HA3 0.027 3.982 3.960 -0.008 0.000 0.686 189 G C -0.737 174.088 174.900 -0.124 0.000 1.181 189 G CA -0.588 44.465 45.100 -0.080 0.000 0.762 189 G HN 1.094 nan 8.290 nan 0.000 0.641 190 E N 0.912 121.033 120.200 -0.133 0.000 2.257 190 E HA 0.321 4.666 4.350 -0.008 0.000 0.278 190 E C 0.599 177.023 176.600 -0.293 0.000 1.049 190 E CA -0.600 55.695 56.400 -0.174 0.000 0.876 190 E CB 0.388 30.010 29.700 -0.130 0.000 1.035 190 E HN 0.382 nan 8.360 nan 0.000 0.419 191 R N 3.738 123.985 120.500 -0.423 0.000 2.357 191 R HA 0.291 4.626 4.340 -0.008 0.000 0.296 191 R C -0.222 175.580 176.300 -0.829 0.000 1.052 191 R CA -0.483 55.136 56.100 -0.801 0.000 0.988 191 R CB 0.936 30.480 30.300 -1.260 0.000 1.025 191 R HN 0.404 nan 8.270 nan 0.000 0.469 192 K N 1.763 121.568 120.400 -0.992 0.000 2.156 192 K HA 0.110 4.425 4.320 -0.008 0.000 0.250 192 K C 0.971 176.986 176.600 -0.974 0.000 0.955 192 K CA -0.611 55.022 56.287 -1.090 0.000 0.855 192 K CB 1.606 32.941 32.500 -1.942 0.000 1.101 192 K HN 0.593 nan 8.250 nan 0.000 0.434 193 E N 2.055 121.714 120.200 -0.900 0.000 2.169 193 E HA -0.205 4.140 4.350 -0.008 0.000 0.202 193 E C 0.506 176.810 176.600 -0.494 0.000 1.016 193 E CA 1.863 57.914 56.400 -0.583 0.000 0.817 193 E CB 0.120 29.346 29.700 -0.789 0.000 0.736 193 E HN 0.680 nan 8.360 nan 0.000 0.462 194 W N 0.908 121.853 121.300 -0.593 0.000 3.290 194 W HA 0.259 4.918 4.660 -0.002 0.000 0.287 194 W C -0.136 176.209 176.519 -0.291 0.000 1.288 194 W CA -0.718 56.125 57.345 -0.837 0.000 1.725 194 W CB -0.342 28.328 29.460 -1.316 0.000 1.103 194 W HN -0.159 nan 8.180 nan 0.000 0.670 195 D N 1.388 121.704 120.400 -0.139 0.000 2.358 195 D HA 0.221 4.856 4.640 -0.008 0.000 0.244 195 D C 0.226 176.624 176.300 0.163 0.000 1.163 195 D CA -0.001 54.011 54.000 0.021 0.000 0.945 195 D CB 0.949 41.595 40.800 -0.256 0.000 1.152 195 D HN -0.074 nan 8.370 nan 0.000 0.451 196 R N 0.655 121.241 120.500 0.145 0.000 2.647 196 R HA 0.371 4.706 4.340 -0.008 0.000 0.295 196 R C -0.676 175.652 176.300 0.048 0.000 1.267 196 R CA -0.207 55.948 56.100 0.092 0.000 1.386 196 R CB 0.361 30.789 30.300 0.213 0.000 1.309 196 R HN 0.261 nan 8.270 nan 0.000 0.692 197 I N 1.558 122.126 120.570 -0.004 0.000 2.354 197 I HA 0.278 4.443 4.170 -0.008 0.000 0.286 197 I C -0.666 175.385 176.117 -0.110 0.000 1.007 197 I CA -0.849 60.459 61.300 0.012 0.000 1.167 197 I CB 0.910 38.923 38.000 0.022 0.000 1.320 197 I HN 0.146 nan 8.210 nan 0.000 0.458 198 Y N 4.950 125.247 120.300 -0.004 0.000 2.383 198 Y HA 0.419 4.964 4.550 -0.009 0.000 0.344 198 Y C 0.172 175.965 175.900 -0.178 0.000 0.986 198 Y CA -0.090 57.944 58.100 -0.110 0.000 1.175 198 Y CB 0.540 38.932 38.460 -0.112 0.000 1.152 198 Y HN 0.455 nan 8.280 nan 0.000 0.511 199 D N 1.379 121.697 120.400 -0.137 0.000 2.622 199 D HA 0.274 4.909 4.640 -0.008 0.000 0.255 199 D C -1.493 174.676 176.300 -0.218 0.000 1.246 199 D CA -0.773 53.119 54.000 -0.179 0.000 0.795 199 D CB 1.552 42.337 40.800 -0.024 0.000 1.369 199 D HN 0.277 nan 8.370 nan 0.000 0.425 200 Y N 0.374 120.665 120.300 -0.016 0.000 2.453 200 Y HA 0.589 5.134 4.550 -0.008 0.000 0.326 200 Y C 0.399 176.260 175.900 -0.065 0.000 1.186 200 Y CA -0.498 57.567 58.100 -0.059 0.000 1.200 200 Y CB 1.373 39.786 38.460 -0.078 0.000 1.247 200 Y HN 0.124 nan 8.280 nan 0.000 0.482 201 D N -0.684 119.769 120.400 0.088 0.000 2.648 201 D HA 0.352 4.987 4.640 -0.008 0.000 0.244 201 D C -1.254 175.026 176.300 -0.033 0.000 1.244 201 D CA -0.511 53.495 54.000 0.011 0.000 0.772 201 D CB 2.021 42.806 40.800 -0.025 0.000 1.379 201 D HN 0.371 nan 8.370 nan 0.000 0.428 202 V N 0.050 119.959 119.914 -0.009 0.000 3.319 202 V HA 0.348 4.463 4.120 -0.008 0.000 0.303 202 V C 0.055 176.156 176.094 0.013 0.000 1.094 202 V CA -0.118 62.208 62.300 0.042 0.000 1.106 202 V CB 0.153 32.011 31.823 0.058 0.000 1.099 202 V HN 0.465 nan 8.190 nan 0.000 0.476 203 Y N 3.183 123.494 120.300 0.019 0.000 2.616 203 Y HA 0.289 4.835 4.550 -0.007 0.000 0.350 203 Y C 0.985 176.861 175.900 -0.040 0.000 1.119 203 Y CA -0.277 57.819 58.100 -0.005 0.000 1.467 203 Y CB -0.296 38.148 38.460 -0.026 0.000 1.287 203 Y HN 0.892 nan 8.280 nan 0.000 0.504 204 N N 0.006 118.732 118.700 0.043 0.000 2.299 204 N HA 0.006 4.741 4.740 -0.008 0.000 0.246 204 N C -0.344 175.164 175.510 -0.003 0.000 1.254 204 N CA -0.130 52.932 53.050 0.019 0.000 0.879 204 N CB 0.084 38.576 38.487 0.008 0.000 1.214 204 N HN 0.522 nan 8.380 nan 0.000 0.510 205 D N -0.088 120.307 120.400 -0.008 0.000 2.571 205 D HA 0.119 4.754 4.640 -0.008 0.000 0.239 205 D C 0.753 177.041 176.300 -0.020 0.000 1.267 205 D CA -0.299 53.685 54.000 -0.027 0.000 0.823 205 D CB -0.175 40.592 40.800 -0.055 0.000 1.056 205 D HN 0.169 nan 8.370 nan 0.000 0.494 206 L N 0.142 121.362 121.223 -0.004 0.000 2.249 206 L HA 0.256 4.591 4.340 -0.008 0.000 0.207 206 L C 1.569 178.427 176.870 -0.021 0.000 1.090 206 L CA 0.557 55.385 54.840 -0.020 0.000 0.802 206 L CB -0.118 41.924 42.059 -0.029 0.000 0.947 206 L HN 0.053 nan 8.230 nan 0.000 0.453 207 G N -0.809 107.985 108.800 -0.009 0.000 2.504 207 G HA2 0.172 4.127 3.960 -0.008 0.000 0.288 207 G HA3 0.172 4.127 3.960 -0.008 0.000 0.288 207 G C -1.079 173.827 174.900 0.010 0.000 1.182 207 G CA -0.139 44.968 45.100 0.012 0.000 0.894 207 G HN -0.039 nan 8.290 nan 0.000 0.521 208 D N 0.830 121.251 120.400 0.035 0.000 2.517 208 D HA 0.331 4.966 4.640 -0.008 0.000 0.301 208 D C -1.575 174.717 176.300 -0.014 0.000 1.202 208 D CA -1.945 52.038 54.000 -0.027 0.000 0.910 208 D CB 1.491 42.225 40.800 -0.111 0.000 1.021 208 D HN 0.010 nan 8.370 nan 0.000 0.499 209 P HA -0.001 nan 4.420 nan 0.000 0.223 209 P C 0.722 178.021 177.300 -0.001 0.000 1.151 209 P CA 0.589 63.704 63.100 0.025 0.000 0.787 209 P CB 0.656 32.365 31.700 0.016 0.000 0.788 210 D N -0.071 120.309 120.400 -0.035 0.000 2.162 210 D HA -0.051 4.584 4.640 -0.008 0.000 0.203 210 D C 0.982 177.238 176.300 -0.072 0.000 0.967 210 D CA 1.097 55.070 54.000 -0.045 0.000 0.840 210 D CB -0.388 40.382 40.800 -0.049 0.000 0.972 210 D HN 0.174 nan 8.370 nan 0.000 0.482 211 K N 0.229 120.545 120.400 -0.139 0.000 3.041 211 K HA 0.440 4.755 4.320 -0.008 0.000 0.243 211 K C -0.167 176.270 176.600 -0.272 0.000 1.167 211 K CA -0.246 55.913 56.287 -0.214 0.000 1.235 211 K CB 0.539 32.864 32.500 -0.292 0.000 1.205 211 K HN 0.116 nan 8.250 nan 0.000 0.448 212 G N 0.821 109.585 108.800 -0.061 0.000 2.521 212 G HA2 -0.116 3.839 3.960 -0.008 0.000 0.589 212 G HA3 -0.116 3.839 3.960 -0.008 0.000 0.589 212 G C -0.706 174.301 174.900 0.178 0.000 1.501 212 G CA -0.908 44.267 45.100 0.125 0.000 0.887 212 G HN 0.170 nan 8.290 nan 0.000 0.654 213 E N -0.260 120.013 120.200 0.122 0.000 2.403 213 E HA 0.311 4.656 4.350 -0.008 0.000 0.188 213 E C 1.727 178.372 176.600 0.075 0.000 1.056 213 E CA 0.239 56.691 56.400 0.086 0.000 0.892 213 E CB 0.287 30.014 29.700 0.045 0.000 1.049 213 E HN 0.350 nan 8.360 nan 0.000 0.465 214 K N -1.257 119.209 120.400 0.110 0.000 2.353 214 K HA 0.140 4.455 4.320 -0.008 0.000 0.195 214 K C -0.100 176.418 176.600 -0.137 0.000 1.031 214 K CA 0.268 56.529 56.287 -0.044 0.000 1.079 214 K CB 0.299 32.716 32.500 -0.138 0.000 0.857 214 K HN 0.138 nan 8.250 nan 0.000 0.535 215 Y N -0.116 120.156 120.300 -0.046 0.000 2.524 215 Y HA 0.421 4.966 4.550 -0.008 0.000 0.266 215 Y C 0.321 176.189 175.900 -0.053 0.000 1.180 215 Y CA -1.035 57.033 58.100 -0.054 0.000 1.244 215 Y CB -0.143 38.289 38.460 -0.048 0.000 1.125 215 Y HN -0.173 nan 8.280 nan 0.000 0.524 216 A N 1.468 124.343 122.820 0.092 0.000 2.309 216 A HA 0.624 4.939 4.320 -0.008 0.000 0.290 216 A C 0.157 177.741 177.584 0.001 0.000 1.206 216 A CA -0.602 51.461 52.037 0.043 0.000 0.850 216 A CB 0.297 19.319 19.000 0.035 0.000 1.118 216 A HN 0.082 nan 8.150 nan 0.000 0.523 217 R N 2.339 122.836 120.500 -0.006 0.000 2.720 217 R HA 0.618 4.953 4.340 -0.008 0.000 0.272 217 R C -2.544 173.748 176.300 -0.013 0.000 0.991 217 R CA -2.021 54.062 56.100 -0.027 0.000 1.010 217 R CB 0.395 30.668 30.300 -0.046 0.000 1.141 217 R HN 0.659 nan 8.270 nan 0.000 0.494 218 P HA 0.210 nan 4.420 nan 0.000 0.276 218 P C -0.378 176.915 177.300 -0.012 0.000 1.244 218 P CA -0.494 62.606 63.100 0.002 0.000 0.801 218 P CB 0.717 32.429 31.700 0.021 0.000 1.006 219 V N 2.086 122.003 119.914 0.004 0.000 2.637 219 V HA 0.030 4.145 4.120 -0.008 0.000 0.296 219 V C 0.711 176.800 176.094 -0.009 0.000 1.046 219 V CA -0.012 62.294 62.300 0.011 0.000 1.066 219 V CB -0.013 31.826 31.823 0.027 0.000 0.968 219 V HN 0.290 nan 8.190 nan 0.000 0.483 220 L N 4.987 126.193 121.223 -0.029 0.000 2.297 220 L HA 0.837 5.172 4.340 -0.008 0.000 0.277 220 L C 0.434 177.355 176.870 0.084 0.000 1.040 220 L CA -0.186 54.583 54.840 -0.118 0.000 0.867 220 L CB 0.872 42.584 42.059 -0.577 0.000 1.244 220 L HN 0.876 nan 8.230 nan 0.000 0.433 221 G N 1.209 110.074 108.800 0.108 0.000 2.158 221 G HA2 0.469 4.424 3.960 -0.008 0.000 0.238 221 G HA3 0.469 4.424 3.960 -0.008 0.000 0.238 221 G C -0.471 174.485 174.900 0.092 0.000 1.723 221 G CA -0.015 45.161 45.100 0.128 0.000 0.911 221 G HN 0.951 nan 8.290 nan 0.000 0.741 222 G N 0.484 109.343 108.800 0.098 0.000 2.352 222 G HA2 0.347 4.302 3.960 -0.008 0.000 0.324 222 G HA3 0.347 4.302 3.960 -0.008 0.000 0.324 222 G C 1.206 176.161 174.900 0.092 0.000 1.249 222 G CA 0.463 45.609 45.100 0.076 0.000 1.053 222 G HN 1.737 nan 8.290 nan 0.000 0.492 223 S N 0.125 115.868 115.700 0.071 0.000 2.392 223 S HA -0.084 4.381 4.470 -0.008 0.000 0.225 223 S C 2.920 177.571 174.600 0.085 0.000 1.041 223 S CA 3.271 61.513 58.200 0.071 0.000 1.100 223 S CB -0.986 62.245 63.200 0.053 0.000 1.029 223 S HN 1.836 nan 8.310 nan 0.000 0.424 224 A N 1.185 124.051 122.820 0.076 0.000 1.841 224 A HA 0.067 4.382 4.320 -0.008 0.000 0.216 224 A C 1.067 178.711 177.584 0.100 0.000 1.199 224 A CA 1.100 53.184 52.037 0.079 0.000 0.621 224 A CB -0.545 18.494 19.000 0.065 0.000 0.835 224 A HN 0.443 nan 8.150 nan 0.000 0.445 225 L N 0.549 121.833 121.223 0.102 0.000 2.356 225 L HA 0.297 4.632 4.340 -0.008 0.000 0.264 225 L C -2.671 174.303 176.870 0.175 0.000 1.029 225 L CA -2.107 52.807 54.840 0.124 0.000 0.897 225 L CB 1.528 43.631 42.059 0.073 0.000 1.256 225 L HN 0.061 nan 8.230 nan 0.000 0.444 226 P HA -0.034 nan 4.420 nan 0.000 0.261 226 P C -1.248 176.344 177.300 0.488 0.000 1.173 226 P CA 0.801 64.129 63.100 0.380 0.000 0.760 226 P CB 0.233 32.182 31.700 0.416 0.000 0.783 227 Y N 3.710 124.033 120.300 0.038 0.000 2.702 227 Y HA 0.330 4.875 4.550 -0.009 0.000 0.336 227 Y C -2.588 172.988 175.900 -0.539 0.000 1.203 227 Y CA -2.065 55.727 58.100 -0.514 0.000 1.072 227 Y CB 1.584 39.876 38.460 -0.280 0.000 1.327 227 Y HN 0.264 nan 8.280 nan 0.000 0.456 228 P HA 0.229 nan 4.420 nan 0.000 0.274 228 P C -0.833 176.407 177.300 -0.100 0.000 1.260 228 P CA -0.225 62.496 63.100 -0.633 0.000 0.793 228 P CB 0.828 31.978 31.700 -0.917 0.000 1.048 229 R N 0.716 121.116 120.500 -0.168 0.000 2.500 229 R HA 0.429 4.764 4.340 -0.008 0.000 0.277 229 R C 0.643 176.935 176.300 -0.013 0.000 1.026 229 R CA -0.535 55.550 56.100 -0.024 0.000 1.058 229 R CB 0.654 30.919 30.300 -0.058 0.000 1.078 229 R HN 0.632 nan 8.270 nan 0.000 0.509 230 R N -0.893 119.521 120.500 -0.143 0.000 2.902 230 R HA 0.583 4.918 4.340 -0.008 0.000 0.258 230 R C 0.132 176.348 176.300 -0.140 0.000 1.071 230 R CA -0.864 55.090 56.100 -0.242 0.000 1.024 230 R CB -0.133 29.778 30.300 -0.649 0.000 1.184 230 R HN 0.617 nan 8.270 nan 0.000 0.492 231 G N 0.924 109.632 108.800 -0.154 0.000 2.305 231 G HA2 0.095 4.050 3.960 -0.008 0.000 0.243 231 G HA3 0.095 4.050 3.960 -0.008 0.000 0.243 231 G C -0.514 174.316 174.900 -0.116 0.000 1.288 231 G CA -0.467 44.541 45.100 -0.153 0.000 0.901 231 G HN 0.452 nan 8.290 nan 0.000 0.516 232 R N 0.930 121.392 120.500 -0.063 0.000 2.491 232 R HA 0.210 4.545 4.340 -0.008 0.000 0.283 232 R C 1.250 177.577 176.300 0.045 0.000 1.072 232 R CA 0.688 56.776 56.100 -0.021 0.000 1.048 232 R CB 0.489 30.785 30.300 -0.006 0.000 0.983 232 R HN 0.675 nan 8.270 nan 0.000 0.450 233 T N -0.673 113.886 114.554 0.008 0.000 2.959 233 T HA 0.160 4.505 4.350 -0.008 0.000 0.254 233 T C 1.246 175.902 174.700 -0.074 0.000 1.003 233 T CA 0.290 62.410 62.100 0.033 0.000 0.950 233 T CB 0.657 69.514 68.868 -0.019 0.000 1.090 233 T HN 0.752 nan 8.240 nan 0.000 0.503 234 G N 2.639 111.397 108.800 -0.070 0.000 2.187 234 G HA2 -0.318 3.637 3.960 -0.008 0.000 0.261 234 G HA3 -0.318 3.637 3.960 -0.008 0.000 0.261 234 G C 0.229 175.082 174.900 -0.077 0.000 1.000 234 G CA 0.270 45.322 45.100 -0.081 0.000 0.718 234 G HN 0.659 nan 8.290 nan 0.000 0.519 235 R N -0.039 120.420 120.500 -0.068 0.000 2.726 235 R HA 0.448 4.783 4.340 -0.008 0.000 0.272 235 R C 1.386 177.659 176.300 -0.046 0.000 1.097 235 R CA 0.062 56.127 56.100 -0.057 0.000 1.198 235 R CB 0.181 30.451 30.300 -0.050 0.000 1.114 235 R HN 0.297 nan 8.270 nan 0.000 0.550 236 G N 1.243 110.020 108.800 -0.040 0.000 2.544 236 G HA2 0.039 3.994 3.960 -0.008 0.000 0.242 236 G HA3 0.039 3.994 3.960 -0.008 0.000 0.242 236 G C -0.225 174.658 174.900 -0.029 0.000 1.247 236 G CA -0.479 44.601 45.100 -0.033 0.000 0.840 236 G HN 0.265 nan 8.290 nan 0.000 0.578 237 K N -0.027 120.358 120.400 -0.025 0.000 2.132 237 K HA 0.253 4.568 4.320 -0.008 0.000 0.240 237 K C 1.151 177.738 176.600 -0.021 0.000 1.036 237 K CA -0.204 56.070 56.287 -0.022 0.000 0.888 237 K CB 0.179 32.669 32.500 -0.017 0.000 1.071 237 K HN 0.683 nan 8.250 nan 0.000 0.502 238 T N -2.558 111.985 114.554 -0.019 0.000 2.899 238 T HA 0.253 4.597 4.350 -0.008 0.000 0.284 238 T C 1.294 175.985 174.700 -0.016 0.000 1.004 238 T CA -0.670 61.418 62.100 -0.020 0.000 1.043 238 T CB 1.499 70.356 68.868 -0.019 0.000 1.013 238 T HN 0.548 nan 8.240 nan 0.000 0.518 239 R N 0.534 121.024 120.500 -0.018 0.000 2.083 239 R HA -0.089 4.246 4.340 -0.008 0.000 0.237 239 R C 1.682 177.976 176.300 -0.011 0.000 1.137 239 R CA 1.212 57.303 56.100 -0.015 0.000 0.951 239 R CB -0.097 30.192 30.300 -0.018 0.000 0.851 239 R HN 0.472 nan 8.270 nan 0.000 0.434 240 K N -0.129 120.265 120.400 -0.010 0.000 2.305 240 K HA 0.019 4.334 4.320 -0.008 0.000 0.199 240 K C -0.155 176.444 176.600 -0.002 0.000 1.047 240 K CA 0.463 56.747 56.287 -0.005 0.000 0.976 240 K CB 0.098 32.596 32.500 -0.002 0.000 0.765 240 K HN 0.152 nan 8.250 nan 0.000 0.474 241 D N 0.264 120.662 120.400 -0.004 0.000 2.575 241 D HA 0.139 4.773 4.640 -0.008 0.000 0.250 241 D C -2.135 174.163 176.300 -0.005 0.000 1.279 241 D CA -2.026 51.972 54.000 -0.002 0.000 0.925 241 D CB 2.115 42.916 40.800 0.000 0.000 1.261 241 D HN -0.186 nan 8.370 nan 0.000 0.567 242 P HA 0.003 nan 4.420 nan 0.000 0.233 242 P C 0.189 177.486 177.300 -0.005 0.000 1.167 242 P CA 0.375 63.472 63.100 -0.005 0.000 0.770 242 P CB 0.571 32.269 31.700 -0.004 0.000 0.837 243 N N -0.458 118.241 118.700 -0.002 0.000 2.273 243 N HA 0.130 4.865 4.740 -0.008 0.000 0.231 243 N C -0.343 175.166 175.510 -0.002 0.000 1.134 243 N CA 0.178 53.228 53.050 -0.001 0.000 0.856 243 N CB 0.510 38.999 38.487 0.004 0.000 1.068 243 N HN 0.004 nan 8.380 nan 0.000 0.510 244 S N -0.142 115.554 115.700 -0.006 0.000 2.541 244 S HA 0.267 4.732 4.470 -0.008 0.000 0.280 244 S C -0.504 174.086 174.600 -0.016 0.000 1.112 244 S CA -0.739 57.455 58.200 -0.009 0.000 0.925 244 S CB 2.541 65.738 63.200 -0.005 0.000 1.067 244 S HN 0.069 nan 8.310 nan 0.000 0.479 245 E N 2.606 122.793 120.200 -0.022 0.000 2.259 245 E HA 0.129 4.474 4.350 -0.008 0.000 0.281 245 E C 0.013 176.594 176.600 -0.032 0.000 1.027 245 E CA -0.486 55.896 56.400 -0.030 0.000 0.838 245 E CB 0.673 30.350 29.700 -0.039 0.000 1.066 245 E HN 0.514 nan 8.360 nan 0.000 0.401 246 K N 3.612 123.992 120.400 -0.033 0.000 2.380 246 K HA 0.195 4.510 4.320 -0.008 0.000 0.267 246 K C -2.502 174.074 176.600 -0.039 0.000 0.990 246 K CA -1.217 55.049 56.287 -0.035 0.000 0.946 246 K CB 0.061 32.541 32.500 -0.033 0.000 0.937 246 K HN 0.066 nan 8.250 nan 0.000 0.491 247 P HA 0.040 nan 4.420 nan 0.000 0.269 247 P C -0.583 176.697 177.300 -0.035 0.000 1.217 247 P CA 0.005 63.080 63.100 -0.041 0.000 0.783 247 P CB 0.630 32.303 31.700 -0.044 0.000 0.898 248 G N 0.254 109.034 108.800 -0.033 0.000 2.612 248 G HA2 0.305 4.260 3.960 -0.008 0.000 0.298 248 G HA3 0.305 4.260 3.960 -0.008 0.000 0.298 248 G C -0.373 174.531 174.900 0.007 0.000 1.336 248 G CA -0.491 44.601 45.100 -0.013 0.000 0.953 248 G HN 0.276 nan 8.290 nan 0.000 0.482 249 D N -0.459 119.967 120.400 0.044 0.000 2.277 249 D HA 0.058 4.693 4.640 -0.008 0.000 0.208 249 D C 0.109 176.489 176.300 0.133 0.000 0.962 249 D CA 0.907 54.946 54.000 0.066 0.000 0.865 249 D CB 0.270 41.106 40.800 0.059 0.000 0.939 249 D HN 0.213 nan 8.370 nan 0.000 0.510 250 F N 0.870 120.805 119.950 -0.026 0.000 2.507 250 F HA 0.420 4.942 4.527 -0.009 0.000 0.328 250 F C -1.217 174.572 175.800 -0.020 0.000 1.136 250 F CA -1.083 56.902 58.000 -0.025 0.000 0.930 250 F CB 1.209 40.182 39.000 -0.045 0.000 1.166 250 F HN -0.386 nan 8.300 nan 0.000 0.436 251 V N 6.946 126.492 119.914 -0.613 0.000 2.394 251 V HA 0.196 4.311 4.120 -0.008 0.000 0.282 251 V C -0.638 174.813 176.094 -1.073 0.000 1.031 251 V CA -0.807 61.123 62.300 -0.616 0.000 0.881 251 V CB 1.129 32.764 31.823 -0.312 0.000 0.982 251 V HN 0.751 nan 8.190 nan 0.000 0.451 252 Y N 7.051 126.787 120.300 -0.940 0.000 2.299 252 Y HA 0.661 5.207 4.550 -0.007 0.000 0.326 252 Y C -0.484 175.179 175.900 -0.395 0.000 1.164 252 Y CA -0.747 56.907 58.100 -0.744 0.000 1.234 252 Y CB 1.013 39.231 38.460 -0.403 0.000 1.219 252 Y HN 0.573 nan 8.280 nan 0.000 0.497 253 L N 4.429 124.968 121.223 -1.139 0.000 2.434 253 L HA 0.651 4.986 4.340 -0.008 0.000 0.260 253 L C -3.210 172.910 176.870 -1.250 0.000 0.983 253 L CA -2.880 51.335 54.840 -1.041 0.000 0.820 253 L CB 0.794 42.585 42.059 -0.447 0.000 1.361 253 L HN 0.498 nan 8.230 nan 0.000 0.410 254 P HA 0.029 nan 4.420 nan 0.000 0.257 254 P C 0.625 177.799 177.300 -0.211 0.000 1.162 254 P CA 0.312 63.058 63.100 -0.590 0.000 0.762 254 P CB 0.477 31.589 31.700 -0.980 0.000 0.753 255 R N 4.435 124.928 120.500 -0.011 0.000 2.133 255 R HA -0.198 4.137 4.340 -0.008 0.000 0.247 255 R C 0.940 177.306 176.300 0.111 0.000 1.151 255 R CA 1.996 58.142 56.100 0.076 0.000 0.971 255 R CB -1.015 29.388 30.300 0.172 0.000 0.866 255 R HN 0.429 nan 8.270 nan 0.000 0.447 256 D N 0.164 120.675 120.400 0.184 0.000 2.349 256 D HA -0.049 4.586 4.640 -0.008 0.000 0.224 256 D C 0.748 177.023 176.300 -0.041 0.000 1.029 256 D CA 0.390 54.491 54.000 0.168 0.000 0.879 256 D CB 0.165 41.159 40.800 0.323 0.000 0.906 256 D HN 0.372 nan 8.370 nan 0.000 0.528 257 E N 0.322 120.557 120.200 0.058 0.000 2.478 257 E HA 0.097 4.442 4.350 -0.008 0.000 0.194 257 E C 0.492 177.179 176.600 0.145 0.000 1.045 257 E CA 0.044 56.533 56.400 0.149 0.000 0.868 257 E CB 0.544 30.330 29.700 0.144 0.000 0.885 257 E HN 0.066 nan 8.360 nan 0.000 0.505 258 A N 1.300 124.118 122.820 -0.003 0.000 2.273 258 A HA 0.496 4.811 4.320 -0.008 0.000 0.320 258 A C -0.787 176.761 177.584 -0.059 0.000 1.358 258 A CA -0.506 51.569 52.037 0.062 0.000 0.910 258 A CB -0.203 18.823 19.000 0.044 0.000 1.159 258 A HN -0.067 nan 8.150 nan 0.000 0.526 259 F N 1.822 121.809 119.950 0.062 0.000 2.394 259 F HA 0.522 5.045 4.527 -0.006 0.000 0.340 259 F C 1.317 176.977 175.800 -0.233 0.000 1.105 259 F CA 0.291 58.259 58.000 -0.053 0.000 1.124 259 F CB 1.651 40.603 39.000 -0.081 0.000 1.145 259 F HN 0.645 nan 8.300 nan 0.000 0.505 260 G N 1.533 110.282 108.800 -0.085 0.000 2.588 260 G HA2 0.368 4.323 3.960 -0.008 0.000 0.281 260 G HA3 0.368 4.323 3.960 -0.008 0.000 0.281 260 G C -1.106 173.342 174.900 -0.754 0.000 1.236 260 G CA -0.337 44.669 45.100 -0.157 0.000 0.969 260 G HN 0.641 nan 8.290 nan 0.000 0.504 261 H N -0.576 118.370 119.070 -0.208 0.000 2.954 261 H HA 0.196 4.747 4.556 -0.008 0.000 0.361 261 H C 0.216 175.534 175.328 -0.016 0.000 1.122 261 H CA -0.696 55.196 56.048 -0.260 0.000 1.217 261 H CB 2.204 31.563 29.762 -0.672 0.000 1.776 261 H HN 0.299 nan 8.280 nan 0.000 0.533 262 L N 1.306 122.610 121.223 0.135 0.000 2.291 262 L HA 0.016 4.351 4.340 -0.008 0.000 0.214 262 L C 0.452 177.432 176.870 0.183 0.000 1.120 262 L CA 1.618 56.554 54.840 0.159 0.000 0.799 262 L CB -0.087 42.045 42.059 0.123 0.000 0.925 262 L HN 0.293 nan 8.230 nan 0.000 0.446 263 K N -2.164 118.345 120.400 0.182 0.000 2.270 263 K HA 0.241 4.556 4.320 -0.008 0.000 0.255 263 K C 1.295 178.061 176.600 0.277 0.000 0.936 263 K CA 0.397 56.792 56.287 0.180 0.000 0.809 263 K CB 1.673 34.239 32.500 0.111 0.000 1.131 263 K HN 0.018 nan 8.250 nan 0.000 0.427 264 S N 0.588 116.470 115.700 0.304 0.000 2.402 264 S HA -0.121 4.344 4.470 -0.008 0.000 0.229 264 S C 1.252 176.083 174.600 0.385 0.000 1.021 264 S CA 1.316 59.762 58.200 0.410 0.000 0.974 264 S CB -0.116 63.228 63.200 0.240 0.000 0.800 264 S HN 0.501 nan 8.310 nan 0.000 0.484 265 S N 1.976 117.807 115.700 0.217 0.000 2.474 265 S HA 0.010 4.475 4.470 -0.008 0.000 0.235 265 S C 0.644 175.304 174.600 0.099 0.000 0.997 265 S CA 0.995 59.282 58.200 0.145 0.000 0.949 265 S CB -0.314 62.937 63.200 0.084 0.000 0.766 265 S HN 0.541 nan 8.310 nan 0.000 0.517 266 D N 0.215 120.635 120.400 0.033 0.000 2.349 266 D HA 0.194 4.829 4.640 -0.008 0.000 0.214 266 D C -0.557 175.468 176.300 -0.459 0.000 1.063 266 D CA 0.033 53.894 54.000 -0.231 0.000 0.847 266 D CB -0.087 40.509 40.800 -0.341 0.000 0.933 266 D HN 0.306 nan 8.370 nan 0.000 0.513 267 F N 1.145 121.073 119.950 -0.037 0.000 2.499 267 F HA 0.242 4.763 4.527 -0.009 0.000 0.353 267 F C 1.438 177.343 175.800 0.176 0.000 1.196 267 F CA -0.279 57.793 58.000 0.121 0.000 1.244 267 F CB 0.292 39.468 39.000 0.293 0.000 1.577 267 F HN -0.158 nan 8.300 nan 0.000 0.614 268 L N 1.255 122.594 121.223 0.193 0.000 2.249 268 L HA -0.001 4.334 4.340 -0.008 0.000 0.207 268 L C 2.459 179.447 176.870 0.198 0.000 1.090 268 L CA 0.777 55.717 54.840 0.167 0.000 0.802 268 L CB -0.424 41.689 42.059 0.089 0.000 0.947 268 L HN 0.595 nan 8.230 nan 0.000 0.453 269 A N -0.340 122.624 122.820 0.240 0.000 1.930 269 A HA -0.268 4.047 4.320 -0.008 0.000 0.217 269 A C 2.188 179.927 177.584 0.259 0.000 1.175 269 A CA 1.318 53.494 52.037 0.233 0.000 0.627 269 A CB -0.732 18.419 19.000 0.252 0.000 0.815 269 A HN 0.471 nan 8.150 nan 0.000 0.443 270 Y N 0.908 121.337 120.300 0.215 0.000 2.200 270 Y HA -0.016 4.529 4.550 -0.008 0.000 0.290 270 Y C 2.279 178.253 175.900 0.124 0.000 1.137 270 Y CA 1.296 59.494 58.100 0.164 0.000 1.163 270 Y CB -0.795 37.777 38.460 0.187 0.000 0.988 270 Y HN 0.191 nan 8.280 nan 0.000 0.518 271 G N -0.068 108.717 108.800 -0.025 0.000 2.598 271 G HA2 -0.136 3.819 3.960 -0.008 0.000 0.215 271 G HA3 -0.136 3.819 3.960 -0.008 0.000 0.215 271 G C 1.584 176.467 174.900 -0.028 0.000 1.131 271 G CA 0.828 45.868 45.100 -0.100 0.000 0.785 271 G HN 0.524 nan 8.290 nan 0.000 0.539 272 I N -0.874 119.713 120.570 0.028 0.000 3.462 272 I HA 0.121 4.286 4.170 -0.008 0.000 0.290 272 I C 2.469 178.593 176.117 0.011 0.000 1.236 272 I CA 0.241 61.566 61.300 0.042 0.000 1.418 272 I CB 0.199 38.248 38.000 0.082 0.000 1.102 272 I HN 0.107 nan 8.210 nan 0.000 0.441 273 K N 0.473 120.873 120.400 -0.001 0.000 2.062 273 K HA -0.128 4.187 4.320 -0.008 0.000 0.205 273 K C 2.053 178.617 176.600 -0.061 0.000 1.051 273 K CA 1.287 57.571 56.287 -0.005 0.000 0.941 273 K CB -0.002 32.525 32.500 0.045 0.000 0.719 273 K HN 0.024 nan 8.250 nan 0.000 0.440 274 S N -0.099 115.507 115.700 -0.157 0.000 2.595 274 S HA -0.015 4.450 4.470 -0.008 0.000 0.235 274 S C 1.368 175.893 174.600 -0.125 0.000 0.974 274 S CA 0.367 58.452 58.200 -0.192 0.000 0.942 274 S CB 0.023 62.981 63.200 -0.403 0.000 0.766 274 S HN 0.172 nan 8.310 nan 0.000 0.536 275 V N 0.953 120.820 119.914 -0.079 0.000 2.521 275 V HA 0.189 4.304 4.120 -0.008 0.000 0.239 275 V C 2.750 178.825 176.094 -0.032 0.000 1.053 275 V CA 1.214 63.480 62.300 -0.056 0.000 1.073 275 V CB -1.002 30.811 31.823 -0.017 0.000 0.746 275 V HN 0.516 nan 8.190 nan 0.000 0.476 276 A N -0.803 122.005 122.820 -0.020 0.000 1.978 276 A HA -0.272 4.043 4.320 -0.008 0.000 0.220 276 A C 2.067 179.643 177.584 -0.014 0.000 1.170 276 A CA 2.080 54.110 52.037 -0.012 0.000 0.636 276 A CB -0.331 18.663 19.000 -0.009 0.000 0.810 276 A HN 0.648 nan 8.150 nan 0.000 0.448 277 Q N -1.964 117.822 119.800 -0.023 0.000 2.373 277 Q HA 0.015 4.350 4.340 -0.008 0.000 0.210 277 Q C 0.805 176.791 176.000 -0.024 0.000 0.913 277 Q CA 1.133 56.925 55.803 -0.020 0.000 0.911 277 Q CB 0.303 29.031 28.738 -0.017 0.000 1.040 277 Q HN 0.705 nan 8.270 nan 0.000 0.521 278 D N -1.108 119.269 120.400 -0.038 0.000 2.626 278 D HA -0.002 4.633 4.640 -0.008 0.000 0.274 278 D C 1.542 177.820 176.300 -0.035 0.000 1.045 278 D CA 0.154 54.130 54.000 -0.041 0.000 0.925 278 D CB 0.601 41.363 40.800 -0.064 0.000 1.260 278 D HN -0.115 nan 8.370 nan 0.000 0.490 279 V N 0.993 120.880 119.914 -0.045 0.000 2.488 279 V HA -0.074 4.041 4.120 -0.008 0.000 0.246 279 V C 2.055 178.151 176.094 0.003 0.000 1.046 279 V CA 0.872 63.148 62.300 -0.039 0.000 1.053 279 V CB -0.015 31.757 31.823 -0.085 0.000 0.679 279 V HN 0.161 nan 8.190 nan 0.000 0.458 280 L N 1.086 122.312 121.223 0.005 0.000 1.976 280 L HA -0.027 4.308 4.340 -0.008 0.000 0.209 280 L C -0.129 176.767 176.870 0.043 0.000 1.071 280 L CA 2.469 57.325 54.840 0.026 0.000 0.746 280 L CB -1.986 40.080 42.059 0.011 0.000 0.890 280 L HN 0.203 nan 8.230 nan 0.000 0.432 281 P HA -0.253 nan 4.420 nan 0.000 0.222 281 P C 1.988 179.336 177.300 0.080 0.000 1.159 281 P CA 2.472 65.598 63.100 0.044 0.000 0.920 281 P CB -0.156 31.556 31.700 0.019 0.000 0.793 282 V N -1.278 118.687 119.914 0.084 0.000 2.343 282 V HA -0.229 3.886 4.120 -0.008 0.000 0.247 282 V C 2.459 178.665 176.094 0.187 0.000 1.051 282 V CA 1.697 64.094 62.300 0.161 0.000 1.036 282 V CB -1.256 30.643 31.823 0.128 0.000 0.654 282 V HN 0.097 nan 8.190 nan 0.000 0.451 283 L N -0.299 121.005 121.223 0.135 0.000 2.027 283 L HA -0.164 4.171 4.340 -0.008 0.000 0.206 283 L C 2.711 179.733 176.870 0.254 0.000 1.074 283 L CA 1.997 56.939 54.840 0.170 0.000 0.745 283 L CB -1.056 41.144 42.059 0.235 0.000 0.898 283 L HN 0.335 nan 8.230 nan 0.000 0.433 284 T N -0.741 113.925 114.554 0.187 0.000 2.699 284 T HA -0.212 4.132 4.350 -0.008 0.000 0.268 284 T C 1.406 176.193 174.700 0.145 0.000 1.036 284 T CA 1.748 63.940 62.100 0.153 0.000 1.147 284 T CB -0.274 68.643 68.868 0.081 0.000 0.862 284 T HN 0.306 nan 8.240 nan 0.000 0.446 285 D N 0.912 121.397 120.400 0.142 0.000 2.178 285 D HA 0.074 4.709 4.640 -0.008 0.000 0.202 285 D C 2.227 178.554 176.300 0.047 0.000 0.974 285 D CA 0.987 55.074 54.000 0.144 0.000 0.841 285 D CB -0.369 40.583 40.800 0.254 0.000 0.953 285 D HN 0.422 nan 8.370 nan 0.000 0.478 286 A N -0.630 122.148 122.820 -0.070 0.000 1.970 286 A HA -0.026 4.289 4.320 -0.008 0.000 0.216 286 A C 1.920 179.294 177.584 -0.350 0.000 1.170 286 A CA 0.613 52.397 52.037 -0.420 0.000 0.645 286 A CB -0.626 18.038 19.000 -0.561 0.000 0.816 286 A HN 0.145 nan 8.150 nan 0.000 0.447 287 F N 0.207 120.079 119.950 -0.131 0.000 2.118 287 F HA -0.071 4.450 4.527 -0.009 0.000 0.293 287 F C 2.125 177.869 175.800 -0.094 0.000 1.102 287 F CA 1.319 59.249 58.000 -0.117 0.000 1.247 287 F CB -0.188 38.751 39.000 -0.102 0.000 1.017 287 F HN 0.138 nan 8.300 nan 0.000 0.475 288 D N -0.173 120.311 120.400 0.140 0.000 2.116 288 D HA -0.159 4.476 4.640 -0.008 0.000 0.193 288 D C 2.212 178.524 176.300 0.020 0.000 0.998 288 D CA 1.587 55.626 54.000 0.064 0.000 0.836 288 D CB -0.838 39.997 40.800 0.057 0.000 0.951 288 D HN 0.289 nan 8.370 nan 0.000 0.449 289 G N -0.343 108.451 108.800 -0.009 0.000 3.181 289 G HA2 -0.099 3.856 3.960 -0.008 0.000 0.219 289 G HA3 -0.099 3.856 3.960 -0.008 0.000 0.219 289 G C 0.314 175.160 174.900 -0.089 0.000 1.182 289 G CA 0.067 45.145 45.100 -0.037 0.000 0.791 289 G HN 0.259 nan 8.290 nan 0.000 0.537 290 N N -1.008 117.635 118.700 -0.095 0.000 2.705 290 N HA -0.175 4.560 4.740 -0.008 0.000 0.255 290 N C 1.056 176.454 175.510 -0.188 0.000 1.008 290 N CA 0.258 53.237 53.050 -0.118 0.000 0.742 290 N CB -1.100 37.348 38.487 -0.065 0.000 0.906 290 N HN 0.317 nan 8.380 nan 0.000 0.541 291 L N -1.127 119.912 121.223 -0.306 0.000 2.446 291 L HA 0.235 4.570 4.340 -0.008 0.000 0.219 291 L C 0.067 176.717 176.870 -0.367 0.000 1.116 291 L CA 0.408 55.026 54.840 -0.370 0.000 0.844 291 L CB 0.157 41.853 42.059 -0.606 0.000 0.970 291 L HN 0.245 nan 8.230 nan 0.000 0.457 292 L N -0.849 120.117 121.223 -0.428 0.000 2.410 292 L HA 0.306 4.641 4.340 -0.008 0.000 0.270 292 L C 0.057 176.756 176.870 -0.284 0.000 0.983 292 L CA -0.582 53.965 54.840 -0.489 0.000 0.822 292 L CB 1.859 43.298 42.059 -1.034 0.000 1.285 292 L HN -0.066 nan 8.230 nan 0.000 0.409 293 S N 2.466 118.075 115.700 -0.151 0.000 2.531 293 S HA 0.185 4.650 4.470 -0.008 0.000 0.279 293 S C 1.188 175.837 174.600 0.082 0.000 1.305 293 S CA -0.438 57.742 58.200 -0.032 0.000 1.058 293 S CB 0.558 63.736 63.200 -0.037 0.000 0.899 293 S HN 0.568 nan 8.310 nan 0.000 0.493 294 L N 1.764 123.057 121.223 0.117 0.000 2.265 294 L HA 0.143 4.478 4.340 -0.008 0.000 0.215 294 L C 0.315 177.136 176.870 -0.083 0.000 1.117 294 L CA 1.617 56.517 54.840 0.100 0.000 0.782 294 L CB -0.252 41.815 42.059 0.014 0.000 0.914 294 L HN 0.765 nan 8.230 nan 0.000 0.441 295 D N -2.957 117.384 120.400 -0.099 0.000 2.859 295 D HA 0.221 4.856 4.640 -0.008 0.000 0.223 295 D C -0.890 175.348 176.300 -0.102 0.000 1.218 295 D CA -0.486 53.416 54.000 -0.164 0.000 0.850 295 D CB 1.439 42.195 40.800 -0.073 0.000 1.656 295 D HN -0.318 nan 8.370 nan 0.000 0.484 296 F N 1.315 121.280 119.950 0.025 0.000 2.506 296 F HA 0.130 4.651 4.527 -0.009 0.000 0.351 296 F C 1.840 177.676 175.800 0.060 0.000 1.136 296 F CA 0.080 58.104 58.000 0.040 0.000 1.298 296 F CB 0.601 39.627 39.000 0.042 0.000 1.145 296 F HN 0.201 nan 8.300 nan 0.000 0.593 297 D N 0.256 120.827 120.400 0.286 0.000 2.628 297 D HA -0.008 4.627 4.640 -0.008 0.000 0.258 297 D C 0.462 176.876 176.300 0.190 0.000 1.165 297 D CA 0.551 54.661 54.000 0.184 0.000 0.991 297 D CB -0.227 40.645 40.800 0.119 0.000 1.104 297 D HN 0.601 nan 8.370 nan 0.000 0.438 298 N N -0.095 118.707 118.700 0.170 0.000 2.405 298 N HA 0.055 4.790 4.740 -0.008 0.000 0.269 298 N C 0.305 176.006 175.510 0.319 0.000 1.249 298 N CA -0.527 52.624 53.050 0.169 0.000 0.974 298 N CB 0.885 39.429 38.487 0.095 0.000 1.204 298 N HN -0.137 nan 8.380 nan 0.000 0.565 299 F N -0.570 119.418 119.950 0.063 0.000 2.558 299 F HA 0.151 4.673 4.527 -0.008 0.000 0.298 299 F C 2.410 178.214 175.800 0.007 0.000 1.119 299 F CA -0.192 57.829 58.000 0.035 0.000 1.451 299 F CB -1.319 37.771 39.000 0.150 0.000 1.091 299 F HN 0.680 nan 8.300 nan 0.000 0.563 300 A N -0.575 122.371 122.820 0.209 0.000 2.119 300 A HA -0.122 4.193 4.320 -0.008 0.000 0.217 300 A C 2.219 179.852 177.584 0.081 0.000 1.153 300 A CA 1.064 53.179 52.037 0.130 0.000 0.692 300 A CB -0.556 18.508 19.000 0.106 0.000 0.799 300 A HN 0.349 nan 8.150 nan 0.000 0.458 301 E N -0.249 119.995 120.200 0.073 0.000 2.028 301 E HA -0.099 4.246 4.350 -0.008 0.000 0.190 301 E C 1.953 178.515 176.600 -0.063 0.000 0.984 301 E CA 1.218 57.662 56.400 0.073 0.000 0.800 301 E CB -0.080 29.738 29.700 0.196 0.000 0.758 301 E HN 0.359 nan 8.360 nan 0.000 0.448 302 V N 1.496 121.201 119.914 -0.349 0.000 2.324 302 V HA -0.310 3.805 4.120 -0.008 0.000 0.250 302 V C 2.266 178.215 176.094 -0.242 0.000 1.060 302 V CA 1.999 63.920 62.300 -0.631 0.000 1.042 302 V CB -0.584 30.786 31.823 -0.754 0.000 0.650 302 V HN 0.243 nan 8.190 nan 0.000 0.450 303 R N 0.080 120.570 120.500 -0.017 0.000 2.115 303 R HA -0.106 4.229 4.340 -0.008 0.000 0.230 303 R C 2.326 178.730 176.300 0.174 0.000 1.111 303 R CA 1.033 57.250 56.100 0.196 0.000 0.976 303 R CB -0.327 30.072 30.300 0.166 0.000 0.870 303 R HN 0.514 nan 8.270 nan 0.000 0.445 304 K N 0.518 120.952 120.400 0.058 0.000 2.280 304 K HA -0.124 4.191 4.320 -0.008 0.000 0.202 304 K C 1.811 178.414 176.600 0.005 0.000 1.047 304 K CA 0.640 56.959 56.287 0.052 0.000 0.942 304 K CB -0.127 32.397 32.500 0.040 0.000 0.739 304 K HN -0.016 nan 8.250 nan 0.000 0.457 305 L N 0.334 121.471 121.223 -0.143 0.000 2.051 305 L HA -0.236 4.099 4.340 -0.008 0.000 0.214 305 L C 1.501 178.311 176.870 -0.100 0.000 1.076 305 L CA 1.867 56.565 54.840 -0.236 0.000 0.758 305 L CB -0.552 41.112 42.059 -0.659 0.000 0.890 305 L HN 0.253 nan 8.230 nan 0.000 0.433 306 Y N -1.840 118.578 120.300 0.197 0.000 2.461 306 Y HA 0.147 4.691 4.550 -0.009 0.000 0.277 306 Y C 1.791 177.788 175.900 0.163 0.000 1.182 306 Y CA -0.097 58.131 58.100 0.214 0.000 1.276 306 Y CB -0.101 38.449 38.460 0.148 0.000 1.087 306 Y HN 0.287 nan 8.280 nan 0.000 0.519 307 E N -1.173 119.165 120.200 0.230 0.000 2.541 307 E HA 0.257 4.602 4.350 -0.008 0.000 0.219 307 E C 1.640 178.319 176.600 0.130 0.000 0.922 307 E CA 0.458 56.962 56.400 0.174 0.000 1.095 307 E CB 1.070 30.853 29.700 0.138 0.000 1.112 307 E HN 0.403 nan 8.360 nan 0.000 0.516 308 G N 0.157 109.017 108.800 0.099 0.000 3.462 308 G HA2 0.381 4.335 3.960 -0.008 0.000 0.168 308 G HA3 0.381 4.335 3.960 -0.008 0.000 0.168 308 G C 0.599 175.388 174.900 -0.185 0.000 1.220 308 G CA 0.120 45.207 45.100 -0.021 0.000 0.862 308 G HN 0.445 nan 8.290 nan 0.000 0.812 309 G N -0.696 108.105 108.800 0.003 0.000 2.698 309 G HA2 0.090 4.045 3.960 -0.008 0.000 0.225 309 G HA3 0.090 4.045 3.960 -0.008 0.000 0.225 309 G C -0.397 174.493 174.900 -0.017 0.000 1.345 309 G CA -0.284 44.850 45.100 0.057 0.000 0.871 309 G HN 1.103 nan 8.290 nan 0.000 0.540 310 V N 1.048 120.994 119.914 0.053 0.000 2.385 310 V HA 0.589 4.704 4.120 -0.008 0.000 0.269 310 V C 0.998 177.042 176.094 -0.082 0.000 1.043 310 V CA 0.607 62.916 62.300 0.013 0.000 0.906 310 V CB 0.856 32.732 31.823 0.089 0.000 0.995 310 V HN 1.068 nan 8.190 nan 0.000 0.467 311 T N 5.435 119.903 114.554 -0.143 0.000 2.943 311 T HA 0.780 5.125 4.350 -0.008 0.000 0.284 311 T C -1.118 173.510 174.700 -0.120 0.000 1.015 311 T CA -0.402 61.605 62.100 -0.154 0.000 1.042 311 T CB 1.152 69.898 68.868 -0.203 0.000 1.055 311 T HN 0.341 nan 8.240 nan 0.000 0.500 312 L N 4.519 125.701 121.223 -0.068 0.000 2.505 312 L HA 0.573 4.908 4.340 -0.008 0.000 0.259 312 L C -2.443 174.437 176.870 0.017 0.000 0.952 312 L CA -1.952 52.851 54.840 -0.061 0.000 0.840 312 L CB 2.615 44.672 42.059 -0.002 0.000 1.358 312 L HN 0.458 nan 8.230 nan 0.000 0.409 313 P HA 0.168 nan 4.420 nan 0.000 0.275 313 P C 0.388 177.752 177.300 0.107 0.000 1.228 313 P CA -0.067 63.063 63.100 0.051 0.000 0.786 313 P CB 0.793 32.508 31.700 0.026 0.000 0.927 314 T N 2.085 116.681 114.554 0.069 0.000 2.602 314 T HA -0.284 4.061 4.350 -0.008 0.000 0.264 314 T C 1.701 176.436 174.700 0.059 0.000 1.085 314 T CA 2.659 64.794 62.100 0.058 0.000 1.164 314 T CB -0.986 67.906 68.868 0.039 0.000 0.860 314 T HN 0.600 nan 8.240 nan 0.000 0.442 315 N N -0.215 118.522 118.700 0.062 0.000 2.104 315 N HA -0.093 4.642 4.740 -0.008 0.000 0.190 315 N C 1.588 177.143 175.510 0.075 0.000 1.024 315 N CA 1.297 54.378 53.050 0.053 0.000 0.853 315 N CB -0.298 38.221 38.487 0.053 0.000 1.008 315 N HN 0.407 nan 8.380 nan 0.000 0.424 316 F N 0.059 119.997 119.950 -0.020 0.000 2.186 316 F HA -0.023 4.499 4.527 -0.008 0.000 0.299 316 F C 1.655 177.442 175.800 -0.022 0.000 1.090 316 F CA 0.787 58.772 58.000 -0.025 0.000 1.307 316 F CB -0.144 38.834 39.000 -0.037 0.000 1.019 316 F HN 0.052 nan 8.300 nan 0.000 0.489 317 L N 0.300 121.542 121.223 0.031 0.000 2.095 317 L HA -0.098 4.237 4.340 -0.008 0.000 0.204 317 L C 2.822 179.624 176.870 -0.113 0.000 1.080 317 L CA 1.961 56.765 54.840 -0.060 0.000 0.759 317 L CB -1.391 40.715 42.059 0.078 0.000 0.914 317 L HN 0.341 nan 8.230 nan 0.000 0.439 318 S N -0.995 114.669 115.700 -0.061 0.000 2.500 318 S HA -0.099 4.366 4.470 -0.008 0.000 0.239 318 S C 1.531 176.076 174.600 -0.091 0.000 0.989 318 S CA 1.019 59.185 58.200 -0.056 0.000 0.951 318 S CB -0.392 62.794 63.200 -0.024 0.000 0.759 318 S HN 0.461 nan 8.310 nan 0.000 0.523 319 N N 1.384 119.992 118.700 -0.153 0.000 2.414 319 N HA 0.234 4.969 4.740 -0.008 0.000 0.189 319 N C -0.132 175.242 175.510 -0.227 0.000 1.039 319 N CA 0.394 53.343 53.050 -0.169 0.000 0.889 319 N CB -0.443 37.937 38.487 -0.179 0.000 1.085 319 N HN 0.339 nan 8.380 nan 0.000 0.442 320 I N 2.371 122.704 120.570 -0.394 0.000 2.243 320 I HA 0.133 4.298 4.170 -0.008 0.000 0.297 320 I C 0.153 176.126 176.117 -0.240 0.000 1.161 320 I CA 0.142 61.219 61.300 -0.373 0.000 1.298 320 I CB -0.602 37.004 38.000 -0.657 0.000 1.475 320 I HN 0.086 nan 8.210 nan 0.000 0.561 321 T N 2.624 117.089 114.554 -0.149 0.000 2.669 321 T HA 0.786 5.131 4.350 -0.008 0.000 0.283 321 T C -2.445 172.216 174.700 -0.065 0.000 1.019 321 T CA -1.408 60.636 62.100 -0.093 0.000 1.039 321 T CB 0.817 69.640 68.868 -0.075 0.000 1.374 321 T HN 0.062 nan 8.240 nan 0.000 0.523 322 P HA 0.738 nan 4.420 nan 0.000 0.283 322 P C -1.140 176.141 177.300 -0.032 0.000 1.271 322 P CA -0.846 62.233 63.100 -0.035 0.000 0.841 322 P CB 0.628 32.316 31.700 -0.020 0.000 1.122 323 I N 1.532 122.081 120.570 -0.035 0.000 2.867 323 I HA 0.185 4.350 4.170 -0.008 0.000 0.282 323 I C -1.843 174.252 176.117 -0.036 0.000 1.437 323 I CA -1.049 60.223 61.300 -0.047 0.000 0.918 323 I CB 1.866 39.824 38.000 -0.070 0.000 1.612 323 I HN 0.271 nan 8.210 nan 0.000 0.592 324 P HA -0.002 nan 4.420 nan 0.000 0.240 324 P C 1.561 178.886 177.300 0.041 0.000 1.190 324 P CA 0.443 63.554 63.100 0.019 0.000 0.781 324 P CB 0.792 32.511 31.700 0.033 0.000 0.931 325 I N 0.488 121.079 120.570 0.033 0.000 2.493 325 I HA -0.102 4.063 4.170 -0.008 0.000 0.254 325 I C 1.238 177.387 176.117 0.052 0.000 1.160 325 I CA 0.826 62.164 61.300 0.064 0.000 1.445 325 I CB -0.555 37.406 38.000 -0.065 0.000 1.086 325 I HN -0.210 nan 8.210 nan 0.000 0.433 326 I N 3.301 123.873 120.570 0.002 0.000 3.309 326 I HA -0.045 4.120 4.170 -0.008 0.000 0.287 326 I C 1.416 177.558 176.117 0.042 0.000 1.221 326 I CA 0.232 61.545 61.300 0.021 0.000 1.575 326 I CB -2.147 35.773 38.000 -0.135 0.000 1.254 326 I HN 0.399 nan 8.210 nan 0.000 0.600 327 K N 1.894 122.333 120.400 0.066 0.000 3.031 327 K HA 0.127 4.442 4.320 -0.008 0.000 0.165 327 K C 0.380 176.998 176.600 0.030 0.000 1.137 327 K CA -0.172 56.140 56.287 0.042 0.000 1.375 327 K CB 0.008 32.542 32.500 0.058 0.000 1.914 327 K HN -0.070 nan 8.250 nan 0.000 0.490 328 E N 0.805 121.020 120.200 0.025 0.000 2.303 328 E HA 0.074 4.419 4.350 -0.008 0.000 0.211 328 E C 0.923 177.532 176.600 0.015 0.000 1.223 328 E CA -0.014 56.387 56.400 0.002 0.000 1.344 328 E CB -0.019 29.680 29.700 -0.001 0.000 1.299 328 E HN 0.357 nan 8.360 nan 0.000 0.441 329 L N -1.059 120.200 121.223 0.061 0.000 2.185 329 L HA 0.135 4.470 4.340 -0.008 0.000 0.198 329 L C 1.295 178.145 176.870 -0.033 0.000 1.079 329 L CA 1.262 56.139 54.840 0.061 0.000 0.780 329 L CB -0.028 42.150 42.059 0.198 0.000 0.955 329 L HN 0.037 nan 8.230 nan 0.000 0.462 330 F N 0.405 120.293 119.950 -0.103 0.000 2.765 330 F HA 0.255 4.777 4.527 -0.009 0.000 0.302 330 F C 0.764 176.457 175.800 -0.177 0.000 1.111 330 F CA -0.189 57.717 58.000 -0.156 0.000 1.359 330 F CB -0.142 38.738 39.000 -0.200 0.000 1.097 330 F HN 0.009 nan 8.300 nan 0.000 0.577 331 R N 0.173 120.657 120.500 -0.028 0.000 3.502 331 R HA -0.190 4.145 4.340 -0.008 0.000 0.266 331 R C 0.024 176.197 176.300 -0.211 0.000 1.077 331 R CA 0.876 56.918 56.100 -0.096 0.000 0.718 331 R CB -2.749 27.492 30.300 -0.097 0.000 1.120 331 R HN 0.338 nan 8.270 nan 0.000 0.457 332 T N -0.967 113.445 114.554 -0.237 0.000 2.961 332 T HA 0.134 4.478 4.350 -0.008 0.000 0.270 332 T C 0.232 174.691 174.700 -0.400 0.000 0.926 332 T CA -0.621 61.187 62.100 -0.487 0.000 1.112 332 T CB 0.486 69.189 68.868 -0.275 0.000 0.926 332 T HN 0.004 nan 8.240 nan 0.000 0.612 333 D N 2.430 122.525 120.400 -0.509 0.000 2.345 333 D HA 0.476 5.111 4.640 -0.008 0.000 0.247 333 D C 1.428 177.649 176.300 -0.133 0.000 1.108 333 D CA 0.966 54.817 54.000 -0.248 0.000 0.894 333 D CB 1.132 41.827 40.800 -0.175 0.000 1.203 333 D HN 0.784 nan 8.370 nan 0.000 0.430 334 G N 2.250 111.034 108.800 -0.026 0.000 2.574 334 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.301 334 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.301 334 G C 0.091 175.030 174.900 0.064 0.000 1.166 334 G CA 0.736 45.863 45.100 0.044 0.000 0.971 334 G HN 0.668 nan 8.290 nan 0.000 0.542 335 E N -0.642 119.643 120.200 0.141 0.000 2.437 335 E HA 0.497 4.842 4.350 -0.008 0.000 0.280 335 E C -1.110 175.622 176.600 0.219 0.000 1.044 335 E CA -0.245 56.247 56.400 0.153 0.000 0.826 335 E CB 0.878 30.631 29.700 0.088 0.000 1.358 335 E HN 0.805 nan 8.360 nan 0.000 0.459 336 Q N 0.321 120.226 119.800 0.175 0.000 2.407 336 Q HA -0.181 4.154 4.340 -0.008 0.000 0.323 336 Q C -1.518 174.559 176.000 0.128 0.000 1.421 336 Q CA 0.754 56.623 55.803 0.109 0.000 0.799 336 Q CB -1.192 27.569 28.738 0.037 0.000 1.073 336 Q HN 0.410 nan 8.270 nan 0.000 0.345 337 F N 0.120 120.072 119.950 0.002 0.000 2.817 337 F HA 0.797 5.319 4.527 -0.008 0.000 0.317 337 F C -1.384 174.395 175.800 -0.036 0.000 1.168 337 F CA -0.847 57.147 58.000 -0.010 0.000 0.911 337 F CB 1.446 40.444 39.000 -0.004 0.000 1.337 337 F HN 0.182 nan 8.300 nan 0.000 0.464 338 L N 2.386 123.876 121.223 0.446 0.000 3.189 338 L HA 0.428 4.763 4.340 -0.008 0.000 0.244 338 L C -2.015 174.966 176.870 0.185 0.000 0.980 338 L CA -0.541 54.364 54.840 0.109 0.000 1.035 338 L CB 1.837 43.887 42.059 -0.015 0.000 1.625 338 L HN 0.611 nan 8.230 nan 0.000 0.447 339 K N 3.445 123.788 120.400 -0.096 0.000 2.553 339 K HA 0.622 4.937 4.320 -0.008 0.000 0.250 339 K C -2.132 174.332 176.600 -0.228 0.000 0.953 339 K CA -0.504 55.780 56.287 -0.004 0.000 0.800 339 K CB 1.384 33.950 32.500 0.109 0.000 1.243 339 K HN 0.578 nan 8.250 nan 0.000 0.435 340 Y N 2.923 123.413 120.300 0.317 0.000 2.364 340 Y HA 0.367 4.912 4.550 -0.009 0.000 0.340 340 Y C -2.159 173.960 175.900 0.364 0.000 0.975 340 Y CA -2.349 55.944 58.100 0.321 0.000 1.089 340 Y CB 1.602 40.295 38.460 0.388 0.000 1.192 340 Y HN 0.472 nan 8.280 nan 0.000 0.454 341 P HA 0.071 nan 4.420 nan 0.000 0.268 341 P C -2.599 174.954 177.300 0.422 0.000 1.205 341 P CA -1.158 62.153 63.100 0.352 0.000 0.771 341 P CB 0.225 32.051 31.700 0.210 0.000 0.858 342 P HA 0.151 nan 4.420 nan 0.000 0.269 342 P C -2.326 174.836 177.300 -0.229 0.000 1.252 342 P CA -1.051 61.973 63.100 -0.126 0.000 0.780 342 P CB -0.735 30.940 31.700 -0.042 0.000 0.829 343 P HA 0.005 nan 4.420 nan 0.000 0.267 343 P C 1.057 178.138 177.300 -0.366 0.000 1.200 343 P CA 0.090 62.896 63.100 -0.491 0.000 0.772 343 P CB 0.672 31.947 31.700 -0.708 0.000 0.855 344 K N 1.236 121.410 120.400 -0.378 0.000 2.063 344 K HA -0.105 4.210 4.320 -0.008 0.000 0.208 344 K C 1.555 177.960 176.600 -0.325 0.000 1.048 344 K CA 1.101 57.165 56.287 -0.371 0.000 0.928 344 K CB -0.588 31.578 32.500 -0.556 0.000 0.713 344 K HN 0.191 nan 8.250 nan 0.000 0.442 345 V N 1.306 121.015 119.914 -0.343 0.000 3.440 345 V HA -0.102 4.013 4.120 -0.008 0.000 0.274 345 V C 1.201 177.257 176.094 -0.064 0.000 1.207 345 V CA 1.136 63.343 62.300 -0.155 0.000 1.183 345 V CB -0.303 31.490 31.823 -0.051 0.000 0.837 345 V HN 0.342 nan 8.190 nan 0.000 0.532 346 M N -2.280 117.243 119.600 -0.129 0.000 2.215 346 M HA 0.140 4.615 4.480 -0.008 0.000 0.391 346 M C 1.408 177.656 176.300 -0.087 0.000 0.914 346 M CA 0.314 55.565 55.300 -0.082 0.000 1.035 346 M CB 0.454 32.945 32.600 -0.181 0.000 1.944 346 M HN 0.236 nan 8.290 nan 0.000 0.656 347 Q N 0.229 119.962 119.800 -0.112 0.000 2.084 347 Q HA -0.130 4.205 4.340 -0.008 0.000 0.202 347 Q C 1.774 177.753 176.000 -0.035 0.000 0.978 347 Q CA 2.310 58.065 55.803 -0.081 0.000 0.844 347 Q CB 0.288 28.966 28.738 -0.100 0.000 0.898 347 Q HN 0.645 nan 8.270 nan 0.000 0.426 348 V N -3.345 116.554 119.914 -0.025 0.000 2.908 348 V HA 0.162 4.277 4.120 -0.008 0.000 0.240 348 V C 0.427 176.532 176.094 0.019 0.000 1.117 348 V CA 0.268 62.570 62.300 0.002 0.000 1.133 348 V CB 0.342 32.169 31.823 0.008 0.000 0.857 348 V HN 0.034 nan 8.190 nan 0.000 0.478 349 D N 1.663 122.078 120.400 0.025 0.000 2.464 349 D HA 0.229 4.864 4.640 -0.008 0.000 0.243 349 D C 1.444 177.780 176.300 0.060 0.000 1.104 349 D CA -0.477 53.545 54.000 0.037 0.000 0.883 349 D CB 1.412 42.233 40.800 0.035 0.000 1.050 349 D HN 0.278 nan 8.370 nan 0.000 0.524 350 K N 1.339 121.781 120.400 0.070 0.000 2.218 350 K HA -0.111 4.204 4.320 -0.008 0.000 0.205 350 K C 0.563 177.300 176.600 0.228 0.000 1.046 350 K CA 1.014 57.376 56.287 0.124 0.000 0.933 350 K CB -0.437 32.130 32.500 0.111 0.000 0.728 350 K HN 0.159 nan 8.250 nan 0.000 0.454 351 S N 0.292 116.044 115.700 0.086 0.000 2.578 351 S HA 0.383 4.848 4.470 -0.008 0.000 0.231 351 S C 1.538 175.969 174.600 -0.281 0.000 0.994 351 S CA 0.068 58.192 58.200 -0.126 0.000 0.956 351 S CB 0.722 63.841 63.200 -0.135 0.000 0.870 351 S HN 0.476 nan 8.310 nan 0.000 0.494 352 A N 2.439 125.230 122.820 -0.049 0.000 2.032 352 A HA -0.136 4.179 4.320 -0.008 0.000 0.221 352 A C 1.878 179.452 177.584 -0.015 0.000 1.165 352 A CA 1.376 53.399 52.037 -0.022 0.000 0.645 352 A CB -0.989 18.047 19.000 0.061 0.000 0.807 352 A HN 0.914 nan 8.150 nan 0.000 0.453 353 W N -1.008 120.296 121.300 0.006 0.000 2.465 353 W HA -0.080 4.575 4.660 -0.008 0.000 0.268 353 W C 1.474 177.997 176.519 0.007 0.000 1.242 353 W CA 1.047 58.397 57.345 0.009 0.000 1.248 353 W CB -0.794 28.654 29.460 -0.020 0.000 1.118 353 W HN 0.294 nan 8.180 nan 0.000 0.587 354 M N 1.563 120.689 119.600 -0.790 0.000 2.236 354 M HA -0.039 4.436 4.480 -0.008 0.000 0.266 354 M C 1.314 177.432 176.300 -0.303 0.000 1.070 354 M CA 1.540 56.373 55.300 -0.777 0.000 1.137 354 M CB -0.752 31.262 32.600 -0.976 0.000 1.378 354 M HN -0.134 nan 8.290 nan 0.000 0.426 355 T N -0.779 113.666 114.554 -0.182 0.000 2.934 355 T HA -0.022 4.323 4.350 -0.008 0.000 0.306 355 T C 0.190 174.938 174.700 0.081 0.000 1.042 355 T CA -0.227 61.848 62.100 -0.041 0.000 1.145 355 T CB 0.515 69.372 68.868 -0.018 0.000 0.982 355 T HN 0.140 nan 8.240 nan 0.000 0.544 356 D N 1.074 121.556 120.400 0.137 0.000 2.350 356 D HA -0.014 4.621 4.640 -0.008 0.000 0.216 356 D C 1.690 178.166 176.300 0.294 0.000 0.968 356 D CA 0.662 54.826 54.000 0.273 0.000 0.894 356 D CB 0.024 41.011 40.800 0.312 0.000 0.909 356 D HN 0.868 nan 8.370 nan 0.000 0.520 357 E N 0.182 120.492 120.200 0.183 0.000 2.122 357 E HA -0.145 4.200 4.350 -0.008 0.000 0.190 357 E C 1.605 178.274 176.600 0.115 0.000 0.977 357 E CA 0.476 56.962 56.400 0.142 0.000 0.820 357 E CB 0.282 30.041 29.700 0.098 0.000 0.770 357 E HN -0.003 nan 8.360 nan 0.000 0.462 358 E N 0.251 120.523 120.200 0.119 0.000 2.107 358 E HA -0.163 4.182 4.350 -0.008 0.000 0.191 358 E C 1.679 178.339 176.600 0.099 0.000 0.982 358 E CA 0.871 57.331 56.400 0.099 0.000 0.809 358 E CB -0.460 29.309 29.700 0.116 0.000 0.756 358 E HN 0.299 nan 8.360 nan 0.000 0.459 359 F N 0.514 120.497 119.950 0.054 0.000 2.126 359 F HA -0.117 4.405 4.527 -0.008 0.000 0.299 359 F C 1.949 177.803 175.800 0.090 0.000 1.096 359 F CA 1.976 60.017 58.000 0.067 0.000 1.255 359 F CB -0.530 38.511 39.000 0.067 0.000 0.997 359 F HN 0.099 nan 8.300 nan 0.000 0.479 360 A N 0.349 123.178 122.820 0.015 0.000 1.975 360 A HA -0.006 4.309 4.320 -0.008 0.000 0.215 360 A C 2.340 179.749 177.584 -0.291 0.000 1.170 360 A CA 0.826 52.794 52.037 -0.116 0.000 0.656 360 A CB -0.737 18.430 19.000 0.277 0.000 0.821 360 A HN 0.444 nan 8.150 nan 0.000 0.449 361 R N 0.493 120.900 120.500 -0.154 0.000 2.091 361 R HA -0.169 4.166 4.340 -0.008 0.000 0.238 361 R C 1.423 177.565 176.300 -0.263 0.000 1.136 361 R CA 1.854 57.853 56.100 -0.169 0.000 0.959 361 R CB -0.325 29.942 30.300 -0.054 0.000 0.856 361 R HN 0.587 nan 8.270 nan 0.000 0.437 362 E N -0.478 119.544 120.200 -0.296 0.000 2.510 362 E HA -0.093 4.252 4.350 -0.008 0.000 0.202 362 E C 1.003 177.352 176.600 -0.419 0.000 1.072 362 E CA 1.115 57.275 56.400 -0.401 0.000 0.883 362 E CB 0.218 29.668 29.700 -0.417 0.000 0.818 362 E HN 0.500 nan 8.360 nan 0.000 0.548 363 T N 0.046 114.318 114.554 -0.469 0.000 3.035 363 T HA 0.001 4.346 4.350 -0.008 0.000 0.259 363 T C 1.614 176.040 174.700 -0.456 0.000 1.078 363 T CA 0.324 62.119 62.100 -0.508 0.000 1.132 363 T CB 0.229 68.631 68.868 -0.777 0.000 0.900 363 T HN 0.025 nan 8.240 nan 0.000 0.480 364 I N 0.461 120.750 120.570 -0.468 0.000 3.039 364 I HA 0.427 4.591 4.170 -0.008 0.000 0.270 364 I C 1.577 177.604 176.117 -0.151 0.000 1.150 364 I CA 0.027 61.046 61.300 -0.468 0.000 1.448 364 I CB 0.132 37.764 38.000 -0.614 0.000 1.197 364 I HN 0.139 nan 8.210 nan 0.000 0.450 365 A N -0.236 122.438 122.820 -0.243 0.000 2.674 365 A HA 0.773 5.088 4.320 -0.008 0.000 0.286 365 A C 0.596 178.102 177.584 -0.130 0.000 0.980 365 A CA 0.086 51.938 52.037 -0.310 0.000 1.028 365 A CB -0.802 18.021 19.000 -0.295 0.000 1.199 365 A HN 0.284 nan 8.150 nan 0.000 0.499 366 G N -1.153 107.498 108.800 -0.247 0.000 2.990 366 G HA2 0.441 4.396 3.960 -0.008 0.000 0.208 366 G HA3 0.441 4.396 3.960 -0.008 0.000 0.208 366 G C 0.874 175.686 174.900 -0.146 0.000 1.334 366 G CA -0.015 44.731 45.100 -0.590 0.000 1.024 366 G HN 0.547 nan 8.290 nan 0.000 0.574 367 L N -0.798 120.274 121.223 -0.251 0.000 2.042 367 L HA 0.030 4.365 4.340 -0.008 0.000 0.210 367 L C 0.833 177.592 176.870 -0.185 0.000 1.076 367 L CA 1.759 56.584 54.840 -0.024 0.000 0.749 367 L CB -0.002 42.001 42.059 -0.093 0.000 0.893 367 L HN 0.418 nan 8.230 nan 0.000 0.432 368 N N -0.315 118.250 118.700 -0.226 0.000 2.904 368 N HA 0.281 5.016 4.740 -0.008 0.000 0.257 368 N C -2.283 173.161 175.510 -0.110 0.000 1.363 368 N CA -2.065 50.925 53.050 -0.099 0.000 0.856 368 N CB 0.874 39.345 38.487 -0.027 0.000 1.166 368 N HN 0.099 nan 8.380 nan 0.000 0.499 369 P HA 0.181 nan 4.420 nan 0.000 0.261 369 P C -0.583 176.622 177.300 -0.159 0.000 1.352 369 P CA 0.257 63.220 63.100 -0.228 0.000 0.891 369 P CB -0.241 31.302 31.700 -0.261 0.000 1.383 370 N N -1.102 117.526 118.700 -0.121 0.000 2.305 370 N HA 0.082 4.817 4.740 -0.008 0.000 0.248 370 N C 0.380 175.954 175.510 0.106 0.000 1.290 370 N CA -0.258 52.831 53.050 0.065 0.000 0.873 370 N CB 0.398 38.910 38.487 0.041 0.000 1.261 370 N HN -0.200 nan 8.380 nan 0.000 0.504 371 V N 0.658 120.604 119.914 0.053 0.000 2.500 371 V HA 0.118 4.233 4.120 -0.008 0.000 0.243 371 V C 1.491 177.573 176.094 -0.020 0.000 1.039 371 V CA 0.274 62.593 62.300 0.033 0.000 1.053 371 V CB -0.018 31.792 31.823 -0.021 0.000 0.695 371 V HN 0.375 nan 8.190 nan 0.000 0.463 372 I N 2.335 122.858 120.570 -0.079 0.000 2.880 372 I HA 0.017 4.182 4.170 -0.008 0.000 0.296 372 I C 0.382 176.496 176.117 -0.006 0.000 1.220 372 I CA 0.732 61.973 61.300 -0.100 0.000 1.435 372 I CB 0.087 37.897 38.000 -0.317 0.000 1.339 372 I HN 0.428 nan 8.210 nan 0.000 0.583 373 K N 6.167 126.628 120.400 0.102 0.000 2.495 373 K HA 0.491 4.806 4.320 -0.008 0.000 0.268 373 K C -0.994 175.869 176.600 0.438 0.000 1.008 373 K CA -1.072 55.343 56.287 0.212 0.000 0.882 373 K CB 1.560 34.139 32.500 0.131 0.000 1.443 373 K HN 0.383 nan 8.250 nan 0.000 0.447 374 I N 1.326 122.110 120.570 0.356 0.000 2.779 374 I HA 0.161 4.326 4.170 -0.008 0.000 0.285 374 I C -0.429 175.684 176.117 -0.006 0.000 1.134 374 I CA -0.489 60.865 61.300 0.090 0.000 1.398 374 I CB 0.439 38.477 38.000 0.063 0.000 1.404 374 I HN 0.512 nan 8.210 nan 0.000 0.587 375 I N 7.578 128.070 120.570 -0.131 0.000 2.312 375 I HA 0.177 4.342 4.170 -0.008 0.000 0.291 375 I C 0.815 176.916 176.117 -0.026 0.000 1.031 375 I CA -0.363 60.921 61.300 -0.026 0.000 1.293 375 I CB 0.842 38.844 38.000 0.004 0.000 1.403 375 I HN 0.625 nan 8.210 nan 0.000 0.484 376 E N 4.590 124.799 120.200 0.014 0.000 2.190 376 E HA -0.028 4.316 4.350 -0.008 0.000 0.191 376 E C 0.067 176.688 176.600 0.035 0.000 0.978 376 E CA 0.813 57.221 56.400 0.014 0.000 0.839 376 E CB 0.310 30.021 29.700 0.019 0.000 0.787 376 E HN 0.751 nan 8.360 nan 0.000 0.473 377 E N -0.967 119.274 120.200 0.067 0.000 2.446 377 E HA 0.569 4.914 4.350 -0.008 0.000 0.276 377 E C -1.344 175.371 176.600 0.190 0.000 0.969 377 E CA -0.946 55.513 56.400 0.098 0.000 0.800 377 E CB 1.196 30.932 29.700 0.060 0.000 1.341 377 E HN -0.082 nan 8.360 nan 0.000 0.460 378 F N 1.609 121.556 119.950 -0.006 0.000 2.588 378 F HA 0.451 4.973 4.527 -0.009 0.000 0.318 378 F C -1.803 173.997 175.800 -0.001 0.000 1.155 378 F CA -1.550 56.448 58.000 -0.004 0.000 0.967 378 F CB 1.809 40.806 39.000 -0.004 0.000 1.236 378 F HN 0.543 nan 8.300 nan 0.000 0.455 379 P HA 0.102 nan 4.420 nan 0.000 0.212 379 P C -1.001 175.827 177.300 -0.787 0.000 1.180 379 P CA 0.804 63.352 63.100 -0.919 0.000 0.902 379 P CB 0.819 32.230 31.700 -0.482 0.000 0.778 380 L N -0.565 120.471 121.223 -0.312 0.000 5.677 380 L HA -0.000 4.335 4.340 -0.008 0.000 0.235 380 L C -0.159 176.644 176.870 -0.111 0.000 1.238 380 L CA -0.441 54.313 54.840 -0.144 0.000 0.755 380 L CB -1.178 40.809 42.059 -0.120 0.000 1.447 380 L HN 0.323 nan 8.230 nan 0.000 0.237 381 S N 0.857 116.525 115.700 -0.053 0.000 2.624 381 S HA 0.789 5.254 4.470 -0.008 0.000 0.263 381 S C 0.320 174.922 174.600 0.005 0.000 1.287 381 S CA 0.018 58.203 58.200 -0.025 0.000 0.990 381 S CB 1.899 65.097 63.200 -0.004 0.000 0.950 381 S HN 0.890 nan 8.310 nan 0.000 0.561 382 S N 0.189 115.909 115.700 0.033 0.000 2.437 382 S HA 0.387 4.852 4.470 -0.008 0.000 0.305 382 S C 0.228 174.858 174.600 0.050 0.000 1.109 382 S CA -0.876 57.366 58.200 0.070 0.000 1.099 382 S CB 0.434 63.715 63.200 0.134 0.000 1.004 382 S HN 0.648 nan 8.310 nan 0.000 0.475 383 K N 3.533 123.958 120.400 0.041 0.000 2.469 383 K HA 0.176 4.490 4.320 -0.008 0.000 0.201 383 K C -0.205 176.405 176.600 0.017 0.000 1.028 383 K CA 0.025 56.332 56.287 0.033 0.000 1.170 383 K CB -0.497 32.027 32.500 0.040 0.000 0.874 383 K HN 0.588 nan 8.250 nan 0.000 0.507 384 L N -2.307 118.913 121.223 -0.005 0.000 2.334 384 L HA 0.494 4.829 4.340 -0.008 0.000 0.273 384 L C -0.049 176.855 176.870 0.057 0.000 1.013 384 L CA -0.823 54.002 54.840 -0.024 0.000 0.816 384 L CB 0.821 42.752 42.059 -0.213 0.000 1.278 384 L HN -0.132 nan 8.230 nan 0.000 0.431 385 D N 0.819 121.281 120.400 0.104 0.000 2.425 385 D HA 0.016 4.651 4.640 -0.008 0.000 0.247 385 D C 0.309 176.707 176.300 0.164 0.000 1.147 385 D CA 0.232 54.306 54.000 0.122 0.000 0.879 385 D CB 1.474 42.338 40.800 0.106 0.000 1.179 385 D HN 0.833 nan 8.370 nan 0.000 0.456 386 T N 3.492 118.116 114.554 0.116 0.000 2.857 386 T HA -0.157 4.188 4.350 -0.008 0.000 0.266 386 T C 1.679 176.415 174.700 0.061 0.000 1.048 386 T CA 0.990 63.156 62.100 0.110 0.000 1.139 386 T CB 0.057 68.974 68.868 0.082 0.000 0.874 386 T HN 0.415 nan 8.240 nan 0.000 0.455 387 Q N 0.933 120.750 119.800 0.029 0.000 2.226 387 Q HA 0.154 4.489 4.340 -0.008 0.000 0.204 387 Q C 2.180 178.136 176.000 -0.073 0.000 0.975 387 Q CA 1.352 57.146 55.803 -0.015 0.000 0.866 387 Q CB -0.366 28.366 28.738 -0.010 0.000 0.915 387 Q HN 0.594 nan 8.270 nan 0.000 0.440 388 A N -2.288 120.482 122.820 -0.082 0.000 2.167 388 A HA 0.157 4.472 4.320 -0.008 0.000 0.208 388 A C 0.813 178.120 177.584 -0.462 0.000 1.198 388 A CA 0.281 52.160 52.037 -0.264 0.000 0.863 388 A CB 0.243 19.085 19.000 -0.263 0.000 0.904 388 A HN 0.343 nan 8.150 nan 0.000 0.484 389 Y N -1.683 118.625 120.300 0.013 0.000 2.550 389 Y HA 0.431 4.976 4.550 -0.009 0.000 0.275 389 Y C 1.393 177.423 175.900 0.216 0.000 1.148 389 Y CA 0.179 58.338 58.100 0.099 0.000 1.200 389 Y CB 0.760 39.227 38.460 0.012 0.000 1.299 389 Y HN 0.538 nan 8.280 nan 0.000 0.509 390 G N 0.544 109.525 108.800 0.302 0.000 2.447 390 G HA2 -0.210 3.745 3.960 -0.008 0.000 0.220 390 G HA3 -0.210 3.745 3.960 -0.008 0.000 0.220 390 G C -1.474 173.573 174.900 0.246 0.000 1.261 390 G CA -0.519 44.706 45.100 0.209 0.000 1.000 390 G HN 0.033 nan 8.290 nan 0.000 0.515 391 D N 0.231 120.694 120.400 0.105 0.000 2.435 391 D HA 0.492 5.127 4.640 -0.008 0.000 0.230 391 D C 0.607 176.917 176.300 0.017 0.000 1.215 391 D CA -0.100 53.937 54.000 0.062 0.000 0.947 391 D CB -0.259 40.547 40.800 0.009 0.000 1.048 391 D HN 0.481 nan 8.370 nan 0.000 0.512 392 H N 1.475 120.580 119.070 0.058 0.000 2.591 392 H HA 0.234 4.785 4.556 -0.008 0.000 0.302 392 H C 0.137 175.455 175.328 -0.017 0.000 1.163 392 H CA -0.225 55.872 56.048 0.083 0.000 1.049 392 H CB 0.165 30.033 29.762 0.176 0.000 1.543 392 H HN 0.157 nan 8.280 nan 0.000 0.523 393 T N 0.111 114.671 114.554 0.009 0.000 2.898 393 T HA 0.004 4.349 4.350 -0.008 0.000 0.301 393 T C 0.305 174.923 174.700 -0.137 0.000 1.049 393 T CA -0.275 61.783 62.100 -0.068 0.000 1.095 393 T CB 0.909 69.734 68.868 -0.070 0.000 0.976 393 T HN 0.442 nan 8.240 nan 0.000 0.539 394 C N 3.008 122.200 119.300 -0.180 0.000 2.514 394 C HA 0.415 4.870 4.460 -0.008 0.000 0.392 394 C C 1.374 176.258 174.990 -0.177 0.000 1.294 394 C CA -0.511 58.390 59.018 -0.195 0.000 1.957 394 C CB -1.222 26.400 27.740 -0.196 0.000 2.541 394 C HN 0.847 nan 8.230 nan 0.000 0.569 395 I N 6.172 126.670 120.570 -0.120 0.000 3.904 395 I HA 0.297 4.462 4.170 -0.008 0.000 0.333 395 I C 0.250 176.368 176.117 0.001 0.000 1.361 395 I CA 0.311 61.575 61.300 -0.060 0.000 1.116 395 I CB -0.284 37.684 38.000 -0.055 0.000 1.028 395 I HN 0.507 nan 8.210 nan 0.000 0.398 396 I N 1.049 121.587 120.570 -0.052 0.000 2.308 396 I HA 0.227 4.392 4.170 -0.008 0.000 0.293 396 I C 0.390 176.599 176.117 0.154 0.000 1.078 396 I CA 0.176 61.424 61.300 -0.087 0.000 1.292 396 I CB -0.175 37.780 38.000 -0.075 0.000 1.423 396 I HN -0.003 nan 8.210 nan 0.000 0.493 397 T N 5.078 119.935 114.554 0.504 0.000 3.237 397 T HA 0.280 4.625 4.350 -0.008 0.000 0.319 397 T C 0.513 175.495 174.700 0.470 0.000 1.037 397 T CA -0.350 62.076 62.100 0.543 0.000 1.048 397 T CB 0.945 69.898 68.868 0.142 0.000 1.081 397 T HN 0.674 nan 8.240 nan 0.000 0.455 398 K N 3.058 123.748 120.400 0.484 0.000 7.765 398 K HA -0.305 4.010 4.320 -0.008 0.000 0.460 398 K C 1.175 177.813 176.600 0.064 0.000 0.476 398 K CA 3.070 59.460 56.287 0.173 0.000 1.792 398 K CB -1.224 31.381 32.500 0.174 0.000 1.023 398 K HN 0.700 nan 8.250 nan 0.000 0.890 399 E N -0.756 119.430 120.200 -0.023 0.000 2.017 399 E HA -0.115 4.230 4.350 -0.008 0.000 0.193 399 E C 1.782 178.332 176.600 -0.083 0.000 0.997 399 E CA 2.053 58.369 56.400 -0.140 0.000 0.804 399 E CB -0.384 29.133 29.700 -0.305 0.000 0.757 399 E HN 0.845 nan 8.360 nan 0.000 0.448 400 H N -0.446 118.597 119.070 -0.044 0.000 2.559 400 H HA 0.092 4.643 4.556 -0.008 0.000 0.273 400 H C 1.343 176.624 175.328 -0.079 0.000 1.000 400 H CA 0.218 56.227 56.048 -0.065 0.000 1.195 400 H CB -0.095 29.633 29.762 -0.057 0.000 1.368 400 H HN 0.106 nan 8.280 nan 0.000 0.592 401 L N 1.168 122.477 121.223 0.143 0.000 2.611 401 L HA 0.128 4.463 4.340 -0.008 0.000 0.229 401 L C -0.165 176.635 176.870 -0.117 0.000 1.137 401 L CA 0.345 55.174 54.840 -0.018 0.000 0.901 401 L CB 0.133 42.171 42.059 -0.036 0.000 1.098 401 L HN 0.242 nan 8.230 nan 0.000 0.456 402 E N 0.827 120.968 120.200 -0.099 0.000 2.346 402 E HA 0.292 4.636 4.350 -0.008 0.000 0.239 402 E C -2.170 174.355 176.600 -0.125 0.000 0.943 402 E CA -1.385 54.933 56.400 -0.136 0.000 0.751 402 E CB 1.385 31.021 29.700 -0.106 0.000 1.241 402 E HN 0.100 nan 8.360 nan 0.000 0.423 403 P HA 0.267 nan 4.420 nan 0.000 0.348 403 P C 0.386 177.618 177.300 -0.113 0.000 1.239 403 P CA -0.650 62.372 63.100 -0.130 0.000 0.783 403 P CB 0.717 32.331 31.700 -0.143 0.000 1.515 404 N N -1.007 117.636 118.700 -0.095 0.000 2.036 404 N HA -0.098 4.637 4.740 -0.008 0.000 0.195 404 N C -0.079 175.394 175.510 -0.062 0.000 1.037 404 N CA 1.372 54.379 53.050 -0.071 0.000 0.855 404 N CB -0.364 38.087 38.487 -0.061 0.000 1.033 404 N HN 0.196 nan 8.380 nan 0.000 0.423 405 L N -0.428 120.754 121.223 -0.068 0.000 2.417 405 L HA 0.568 4.903 4.340 -0.008 0.000 0.259 405 L C -0.368 176.429 176.870 -0.122 0.000 1.023 405 L CA -0.577 54.234 54.840 -0.049 0.000 0.901 405 L CB 1.760 43.821 42.059 0.004 0.000 1.227 405 L HN 0.212 nan 8.230 nan 0.000 0.454 406 G N 0.546 109.253 108.800 -0.155 0.000 3.876 406 G HA2 0.212 4.167 3.960 -0.008 0.000 0.249 406 G HA3 0.212 4.167 3.960 -0.008 0.000 0.249 406 G C 0.532 175.323 174.900 -0.182 0.000 3.894 406 G CA -0.032 44.894 45.100 -0.290 0.000 0.527 406 G HN 0.594 nan 8.290 nan 0.000 0.244 407 G N 0.359 109.101 108.800 -0.096 0.000 2.443 407 G HA2 0.179 4.134 3.960 -0.008 0.000 0.219 407 G HA3 0.179 4.134 3.960 -0.008 0.000 0.219 407 G C 0.895 175.759 174.900 -0.060 0.000 1.131 407 G CA 0.617 45.680 45.100 -0.061 0.000 0.775 407 G HN 0.465 nan 8.290 nan 0.000 0.547 408 L N 1.305 122.491 121.223 -0.062 0.000 2.476 408 L HA 0.331 4.666 4.340 -0.008 0.000 0.255 408 L C 1.290 178.109 176.870 -0.084 0.000 1.218 408 L CA -0.136 54.676 54.840 -0.047 0.000 0.819 408 L CB 0.840 42.902 42.059 0.005 0.000 1.119 408 L HN 0.128 nan 8.230 nan 0.000 0.485 409 T N -2.310 112.202 114.554 -0.070 0.000 2.847 409 T HA 0.315 4.660 4.350 -0.008 0.000 0.279 409 T C 1.280 175.903 174.700 -0.128 0.000 0.984 409 T CA -0.816 61.227 62.100 -0.096 0.000 0.988 409 T CB 0.716 69.538 68.868 -0.076 0.000 1.040 409 T HN 0.214 nan 8.240 nan 0.000 0.528 410 V N 1.191 120.987 119.914 -0.198 0.000 2.490 410 V HA -0.110 4.005 4.120 -0.008 0.000 0.250 410 V C 2.622 178.573 176.094 -0.239 0.000 1.061 410 V CA 1.632 63.745 62.300 -0.312 0.000 1.064 410 V CB -0.856 30.591 31.823 -0.627 0.000 0.670 410 V HN 0.805 nan 8.190 nan 0.000 0.461 411 E N -0.507 119.595 120.200 -0.163 0.000 2.208 411 E HA -0.144 4.201 4.350 -0.008 0.000 0.193 411 E C 2.160 178.724 176.600 -0.059 0.000 0.988 411 E CA 0.653 56.998 56.400 -0.091 0.000 0.828 411 E CB -0.179 29.488 29.700 -0.055 0.000 0.763 411 E HN 0.577 nan 8.360 nan 0.000 0.478 412 Q N 0.096 119.865 119.800 -0.052 0.000 2.123 412 Q HA 0.126 4.461 4.340 -0.008 0.000 0.196 412 Q C 2.125 178.120 176.000 -0.007 0.000 0.958 412 Q CA 0.994 56.783 55.803 -0.023 0.000 0.841 412 Q CB -0.023 28.707 28.738 -0.013 0.000 0.915 412 Q HN 0.229 nan 8.270 nan 0.000 0.455 413 A N 1.371 124.192 122.820 0.002 0.000 1.933 413 A HA -0.180 4.135 4.320 -0.008 0.000 0.218 413 A C 2.030 179.598 177.584 -0.026 0.000 1.175 413 A CA 1.615 53.688 52.037 0.060 0.000 0.628 413 A CB -0.646 18.434 19.000 0.135 0.000 0.814 413 A HN 0.453 nan 8.150 nan 0.000 0.444 414 I N -2.135 118.392 120.570 -0.071 0.000 2.500 414 I HA -0.131 4.034 4.170 -0.008 0.000 0.252 414 I C 2.189 178.262 176.117 -0.074 0.000 1.142 414 I CA 1.989 63.231 61.300 -0.097 0.000 1.451 414 I CB -0.658 37.298 38.000 -0.074 0.000 1.093 414 I HN 0.430 nan 8.210 nan 0.000 0.430 415 Q N 1.340 121.112 119.800 -0.047 0.000 2.061 415 Q HA -0.245 4.090 4.340 -0.008 0.000 0.204 415 Q C 1.353 177.336 176.000 -0.030 0.000 0.984 415 Q CA 2.168 57.953 55.803 -0.031 0.000 0.846 415 Q CB -0.169 28.557 28.738 -0.020 0.000 0.902 415 Q HN 0.573 nan 8.270 nan 0.000 0.421 416 N N 0.429 119.113 118.700 -0.026 0.000 2.515 416 N HA -0.007 4.728 4.740 -0.008 0.000 0.191 416 N C -0.739 174.747 175.510 -0.040 0.000 1.182 416 N CA 0.356 53.394 53.050 -0.020 0.000 0.879 416 N CB 0.287 38.775 38.487 0.002 0.000 0.984 416 N HN 0.143 nan 8.380 nan 0.000 0.453 417 K N -0.446 119.906 120.400 -0.080 0.000 3.150 417 K HA -0.172 4.143 4.320 -0.008 0.000 0.267 417 K C 0.247 176.754 176.600 -0.155 0.000 1.028 417 K CA 0.458 56.672 56.287 -0.123 0.000 0.753 417 K CB -0.954 31.531 32.500 -0.026 0.000 1.288 417 K HN 0.099 nan 8.250 nan 0.000 0.473 418 K N -0.931 119.331 120.400 -0.230 0.000 2.464 418 K HA 0.228 4.543 4.320 -0.008 0.000 0.206 418 K C 0.148 176.592 176.600 -0.261 0.000 1.186 418 K CA -0.135 56.023 56.287 -0.214 0.000 0.990 418 K CB 0.577 32.975 32.500 -0.170 0.000 1.003 418 K HN 0.146 nan 8.250 nan 0.000 0.562 419 L N 1.137 122.130 121.223 -0.383 0.000 2.295 419 L HA 0.451 4.786 4.340 -0.008 0.000 0.285 419 L C -1.108 175.429 176.870 -0.554 0.000 1.035 419 L CA -0.421 54.284 54.840 -0.226 0.000 0.806 419 L CB 0.648 42.662 42.059 -0.076 0.000 1.214 419 L HN -0.152 nan 8.230 nan 0.000 0.426 420 F N 4.598 124.638 119.950 0.150 0.000 2.551 420 F HA 0.603 5.125 4.527 -0.008 0.000 0.316 420 F C 0.014 175.954 175.800 0.233 0.000 1.089 420 F CA -0.801 57.292 58.000 0.154 0.000 0.915 420 F CB 1.536 40.598 39.000 0.103 0.000 1.186 420 F HN 0.221 nan 8.300 nan 0.000 0.456 421 I N 1.594 122.378 120.570 0.356 0.000 2.707 421 I HA 0.521 4.686 4.170 -0.008 0.000 0.309 421 I C -1.002 175.266 176.117 0.252 0.000 1.001 421 I CA -0.963 60.502 61.300 0.274 0.000 1.129 421 I CB 2.110 40.202 38.000 0.153 0.000 1.308 421 I HN 0.477 nan 8.210 nan 0.000 0.466 422 L N 3.197 124.540 121.223 0.200 0.000 2.433 422 L HA 0.295 4.630 4.340 -0.008 0.000 0.256 422 L C -0.985 175.827 176.870 -0.096 0.000 1.063 422 L CA -0.374 54.475 54.840 0.015 0.000 0.922 422 L CB 0.734 42.839 42.059 0.077 0.000 1.238 422 L HN 0.663 nan 8.230 nan 0.000 0.466 423 D N 1.713 122.076 120.400 -0.061 0.000 2.336 423 D HA 0.067 4.702 4.640 -0.008 0.000 0.249 423 D C 0.214 176.574 176.300 0.100 0.000 1.213 423 D CA 0.246 54.265 54.000 0.032 0.000 0.870 423 D CB 0.603 41.460 40.800 0.094 0.000 1.076 423 D HN 0.299 nan 8.370 nan 0.000 0.483 424 H N 3.119 122.284 119.070 0.159 0.000 2.492 424 H HA 0.125 4.676 4.556 -0.008 0.000 0.264 424 H C 0.436 175.650 175.328 -0.189 0.000 1.150 424 H CA -0.336 55.754 56.048 0.070 0.000 0.962 424 H CB 0.037 29.918 29.762 0.200 0.000 1.766 424 H HN 0.615 nan 8.280 nan 0.000 0.589 425 H N 0.476 119.494 119.070 -0.085 0.000 2.431 425 H HA -0.024 4.527 4.556 -0.008 0.000 0.335 425 H C 0.785 175.960 175.328 -0.255 0.000 1.259 425 H CA 0.194 56.173 56.048 -0.115 0.000 1.907 425 H CB 0.622 30.378 29.762 -0.010 0.000 1.549 425 H HN 0.161 nan 8.280 nan 0.000 0.633 426 D N 0.528 120.857 120.400 -0.119 0.000 2.254 426 D HA -0.202 4.433 4.640 -0.008 0.000 0.201 426 D C 1.950 178.139 176.300 -0.184 0.000 0.998 426 D CA 1.477 55.362 54.000 -0.191 0.000 0.885 426 D CB -0.472 40.316 40.800 -0.021 0.000 0.915 426 D HN 0.570 nan 8.370 nan 0.000 0.460 427 Y N -0.702 119.562 120.300 -0.059 0.000 2.395 427 Y HA 0.128 4.674 4.550 -0.008 0.000 0.293 427 Y C 2.131 177.932 175.900 -0.166 0.000 1.123 427 Y CA 0.298 58.354 58.100 -0.073 0.000 1.227 427 Y CB -0.787 37.681 38.460 0.014 0.000 1.012 427 Y HN -0.068 nan 8.280 nan 0.000 0.552 428 L N -0.304 120.566 121.223 -0.589 0.000 2.095 428 L HA -0.113 4.222 4.340 -0.008 0.000 0.204 428 L C 2.349 179.046 176.870 -0.289 0.000 1.080 428 L CA 0.514 55.060 54.840 -0.489 0.000 0.759 428 L CB -0.330 41.384 42.059 -0.575 0.000 0.914 428 L HN 0.232 nan 8.230 nan 0.000 0.439 429 I N 0.764 121.110 120.570 -0.373 0.000 2.118 429 I HA -0.233 3.932 4.170 -0.008 0.000 0.241 429 I C -0.134 175.837 176.117 -0.243 0.000 1.070 429 I CA 1.966 63.062 61.300 -0.339 0.000 1.327 429 I CB -2.588 35.068 38.000 -0.573 0.000 1.034 429 I HN 0.188 nan 8.210 nan 0.000 0.405 430 P HA -0.162 nan 4.420 nan 0.000 0.221 430 P C 1.177 178.235 177.300 -0.403 0.000 1.145 430 P CA 1.509 64.490 63.100 -0.198 0.000 0.795 430 P CB -0.139 31.439 31.700 -0.205 0.000 0.775 431 Y N -2.646 117.527 120.300 -0.212 0.000 2.458 431 Y HA 0.191 4.736 4.550 -0.008 0.000 0.256 431 Y C 1.790 177.510 175.900 -0.300 0.000 1.159 431 Y CA -0.198 57.717 58.100 -0.308 0.000 1.261 431 Y CB -0.168 38.096 38.460 -0.327 0.000 1.119 431 Y HN -0.144 nan 8.280 nan 0.000 0.524 432 L N -0.036 121.123 121.223 -0.107 0.000 2.209 432 L HA 0.013 4.348 4.340 -0.008 0.000 0.207 432 L C 2.180 179.018 176.870 -0.055 0.000 1.094 432 L CA 1.191 55.992 54.840 -0.064 0.000 0.790 432 L CB -0.241 41.792 42.059 -0.042 0.000 0.932 432 L HN -0.034 nan 8.230 nan 0.000 0.447 433 R N 0.382 120.839 120.500 -0.072 0.000 2.080 433 R HA -0.185 4.150 4.340 -0.008 0.000 0.236 433 R C 2.063 178.320 176.300 -0.072 0.000 1.137 433 R CA 1.785 57.855 56.100 -0.051 0.000 0.943 433 R CB -0.904 29.359 30.300 -0.062 0.000 0.846 433 R HN 0.412 nan 8.270 nan 0.000 0.431 434 K N 0.356 120.649 120.400 -0.178 0.000 2.097 434 K HA -0.050 4.264 4.320 -0.008 0.000 0.206 434 K C 2.287 178.795 176.600 -0.153 0.000 1.049 434 K CA 1.217 57.342 56.287 -0.270 0.000 0.933 434 K CB -0.211 31.852 32.500 -0.728 0.000 0.717 434 K HN 0.141 nan 8.250 nan 0.000 0.442 435 I N 1.311 121.809 120.570 -0.121 0.000 2.286 435 I HA -0.234 3.931 4.170 -0.008 0.000 0.245 435 I C 1.658 177.816 176.117 0.067 0.000 1.104 435 I CA 1.253 62.601 61.300 0.079 0.000 1.397 435 I CB -0.226 37.836 38.000 0.102 0.000 1.072 435 I HN 0.223 nan 8.210 nan 0.000 0.417 436 N N 0.697 119.405 118.700 0.014 0.000 2.494 436 N HA -0.020 4.715 4.740 -0.008 0.000 0.182 436 N C 1.630 177.133 175.510 -0.010 0.000 1.076 436 N CA 0.519 53.560 53.050 -0.015 0.000 0.908 436 N CB 0.020 38.511 38.487 0.005 0.000 0.967 436 N HN 0.264 nan 8.380 nan 0.000 0.449 437 A N 0.259 123.089 122.820 0.016 0.000 2.272 437 A HA -0.075 4.240 4.320 -0.008 0.000 0.213 437 A C 0.874 178.465 177.584 0.012 0.000 1.183 437 A CA 1.165 53.213 52.037 0.019 0.000 0.719 437 A CB -0.258 18.763 19.000 0.036 0.000 0.771 437 A HN 0.279 nan 8.150 nan 0.000 0.484 438 N N -3.775 114.924 118.700 -0.001 0.000 3.657 438 N HA 0.129 4.864 4.740 -0.008 0.000 0.320 438 N C 0.805 176.286 175.510 -0.048 0.000 1.445 438 N CA 0.337 53.376 53.050 -0.019 0.000 0.625 438 N CB -0.033 38.448 38.487 -0.010 0.000 3.293 438 N HN -0.167 nan 8.380 nan 0.000 0.536 439 T N -0.552 113.970 114.554 -0.053 0.000 3.139 439 T HA 0.073 4.418 4.350 -0.008 0.000 0.267 439 T C -0.398 174.246 174.700 -0.093 0.000 1.164 439 T CA 1.077 63.132 62.100 -0.074 0.000 1.075 439 T CB -0.682 68.143 68.868 -0.072 0.000 0.904 439 T HN 0.330 nan 8.240 nan 0.000 0.540 440 T N 3.071 117.573 114.554 -0.088 0.000 2.786 440 T HA 0.422 4.767 4.350 -0.008 0.000 0.283 440 T C -0.799 173.789 174.700 -0.188 0.000 0.992 440 T CA -0.781 61.257 62.100 -0.103 0.000 0.954 440 T CB 1.212 70.063 68.868 -0.029 0.000 0.934 440 T HN -0.079 nan 8.240 nan 0.000 0.440 441 K N 2.800 123.004 120.400 -0.326 0.000 2.339 441 K HA 0.693 5.008 4.320 -0.008 0.000 0.264 441 K C -0.273 175.974 176.600 -0.588 0.000 0.986 441 K CA -0.516 55.344 56.287 -0.711 0.000 0.866 441 K CB 1.935 33.751 32.500 -1.139 0.000 1.103 441 K HN 0.621 nan 8.250 nan 0.000 0.441 442 T N 1.575 115.877 114.554 -0.421 0.000 2.769 442 T HA 0.582 4.927 4.350 -0.008 0.000 0.306 442 T C -1.586 172.953 174.700 -0.269 0.000 1.400 442 T CA -0.553 61.382 62.100 -0.275 0.000 1.007 442 T CB 0.596 69.461 68.868 -0.005 0.000 1.392 442 T HN 0.335 nan 8.240 nan 0.000 0.500 443 Y N 0.147 120.503 120.300 0.094 0.000 2.567 443 Y HA 0.742 5.287 4.550 -0.008 0.000 0.333 443 Y C 0.429 176.382 175.900 0.088 0.000 1.106 443 Y CA -1.200 56.948 58.100 0.079 0.000 1.157 443 Y CB 1.507 39.984 38.460 0.027 0.000 1.277 443 Y HN 0.707 nan 8.280 nan 0.000 0.490 444 A N 1.445 124.411 122.820 0.244 0.000 2.341 444 A HA 0.509 4.824 4.320 -0.008 0.000 0.326 444 A C 0.260 177.995 177.584 0.251 0.000 1.402 444 A CA -0.503 51.596 52.037 0.102 0.000 0.957 444 A CB -0.759 18.150 19.000 -0.152 0.000 1.151 444 A HN 0.771 nan 8.150 nan 0.000 0.533 445 T N 0.497 115.220 114.554 0.281 0.000 2.729 445 T HA 0.703 5.048 4.350 -0.008 0.000 0.298 445 T C 0.145 175.014 174.700 0.281 0.000 1.013 445 T CA -0.413 61.860 62.100 0.288 0.000 0.957 445 T CB 0.612 69.657 68.868 0.295 0.000 1.130 445 T HN 0.664 nan 8.240 nan 0.000 0.526 446 R N -0.819 119.791 120.500 0.183 0.000 2.563 446 R HA 0.494 4.829 4.340 -0.008 0.000 0.262 446 R C -1.689 174.663 176.300 0.087 0.000 1.128 446 R CA -0.516 55.649 56.100 0.107 0.000 0.969 446 R CB 2.399 32.712 30.300 0.021 0.000 1.251 446 R HN 0.828 nan 8.270 nan 0.000 0.442 447 T N 3.931 118.533 114.554 0.080 0.000 3.031 447 T HA 0.459 4.804 4.350 -0.008 0.000 0.305 447 T C -0.327 174.333 174.700 -0.066 0.000 0.985 447 T CA -0.529 61.572 62.100 0.001 0.000 1.008 447 T CB 0.934 69.822 68.868 0.033 0.000 1.005 447 T HN 0.293 nan 8.240 nan 0.000 0.444 448 I N 3.705 124.206 120.570 -0.114 0.000 2.365 448 I HA 0.471 4.636 4.170 -0.008 0.000 0.291 448 I C -0.755 175.249 176.117 -0.187 0.000 1.004 448 I CA -0.552 60.730 61.300 -0.031 0.000 1.311 448 I CB 0.785 38.819 38.000 0.055 0.000 1.401 448 I HN 0.487 nan 8.210 nan 0.000 0.491 449 F N 5.816 125.908 119.950 0.235 0.000 2.508 449 F HA 0.467 4.989 4.527 -0.008 0.000 0.325 449 F C -0.390 175.607 175.800 0.327 0.000 1.090 449 F CA -0.707 57.451 58.000 0.263 0.000 0.945 449 F CB 1.771 40.890 39.000 0.198 0.000 1.156 449 F HN 0.215 nan 8.300 nan 0.000 0.463 450 F N 4.158 124.315 119.950 0.345 0.000 2.493 450 F HA 0.549 5.071 4.527 -0.008 0.000 0.329 450 F C -1.146 174.793 175.800 0.233 0.000 1.126 450 F CA -1.314 56.825 58.000 0.232 0.000 0.937 450 F CB 1.214 40.287 39.000 0.122 0.000 1.146 450 F HN 0.282 nan 8.300 nan 0.000 0.442 451 L N 7.525 128.477 121.223 -0.452 0.000 2.363 451 L HA 0.301 4.636 4.340 -0.008 0.000 0.286 451 L C -0.206 176.242 176.870 -0.702 0.000 1.106 451 L CA 0.054 54.675 54.840 -0.366 0.000 0.859 451 L CB -0.463 41.515 42.059 -0.136 0.000 1.223 451 L HN 0.517 nan 8.230 nan 0.000 0.446 452 K N 3.536 123.757 120.400 -0.299 0.000 2.319 452 K HA 0.055 4.370 4.320 -0.008 0.000 0.265 452 K C 0.862 177.421 176.600 -0.069 0.000 1.000 452 K CA -0.333 55.911 56.287 -0.072 0.000 0.943 452 K CB 0.518 33.098 32.500 0.134 0.000 0.950 452 K HN 0.538 nan 8.250 nan 0.000 0.485 453 N N 2.045 120.757 118.700 0.020 0.000 2.430 453 N HA -0.167 4.568 4.740 -0.008 0.000 0.186 453 N C 0.778 176.295 175.510 0.012 0.000 1.032 453 N CA 1.157 54.217 53.050 0.017 0.000 0.893 453 N CB -0.191 38.333 38.487 0.062 0.000 0.957 453 N HN 0.591 nan 8.380 nan 0.000 0.442 454 D N -1.182 119.230 120.400 0.020 0.000 2.349 454 D HA 0.080 4.715 4.640 -0.008 0.000 0.224 454 D C 1.286 177.588 176.300 0.003 0.000 1.029 454 D CA 0.663 54.673 54.000 0.016 0.000 0.879 454 D CB -0.268 40.549 40.800 0.028 0.000 0.906 454 D HN 0.243 nan 8.370 nan 0.000 0.528 455 G N 0.286 109.078 108.800 -0.013 0.000 2.234 455 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.235 455 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.235 455 G C 0.524 175.403 174.900 -0.036 0.000 0.997 455 G CA 0.466 45.552 45.100 -0.023 0.000 0.623 455 G HN 0.807 nan 8.290 nan 0.000 0.514 456 T N -0.326 114.217 114.554 -0.019 0.000 2.922 456 T HA 0.750 5.095 4.350 -0.008 0.000 0.285 456 T C 0.528 175.218 174.700 -0.017 0.000 1.005 456 T CA -0.629 61.462 62.100 -0.016 0.000 1.061 456 T CB 2.034 70.917 68.868 0.025 0.000 1.007 456 T HN 0.484 nan 8.240 nan 0.000 0.502 457 L N 1.848 123.055 121.223 -0.026 0.000 2.400 457 L HA 0.715 5.050 4.340 -0.008 0.000 0.264 457 L C 0.573 177.564 176.870 0.202 0.000 1.061 457 L CA -0.781 54.088 54.840 0.048 0.000 0.799 457 L CB 1.839 43.849 42.059 -0.082 0.000 1.240 457 L HN 1.086 nan 8.230 nan 0.000 0.461 458 T N -1.622 113.155 114.554 0.371 0.000 2.894 458 T HA 0.481 4.826 4.350 -0.008 0.000 0.309 458 T C -2.983 171.996 174.700 0.465 0.000 1.208 458 T CA -1.718 60.627 62.100 0.410 0.000 1.016 458 T CB 1.919 70.970 68.868 0.304 0.000 1.192 458 T HN 0.250 nan 8.240 nan 0.000 0.491 459 P HA 0.378 nan 4.420 nan 0.000 0.286 459 P C 0.080 177.470 177.300 0.150 0.000 1.269 459 P CA -0.641 62.542 63.100 0.138 0.000 0.787 459 P CB 1.304 33.184 31.700 0.300 0.000 0.920 460 L N 1.479 122.733 121.223 0.052 0.000 2.638 460 L HA 0.472 4.806 4.340 -0.008 0.000 0.232 460 L C 0.921 177.767 176.870 -0.039 0.000 1.099 460 L CA 0.278 55.118 54.840 -0.000 0.000 0.883 460 L CB 0.284 42.343 42.059 0.001 0.000 1.136 460 L HN 0.500 nan 8.230 nan 0.000 0.492 461 A N 0.240 123.085 122.820 0.042 0.000 2.550 461 A HA 0.635 4.950 4.320 -0.008 0.000 0.295 461 A C -1.717 175.952 177.584 0.143 0.000 1.001 461 A CA -0.427 51.646 52.037 0.060 0.000 0.660 461 A CB 0.869 19.789 19.000 -0.134 0.000 1.308 461 A HN -0.001 nan 8.150 nan 0.000 0.426 462 I N 1.303 122.000 120.570 0.211 0.000 2.529 462 I HA 0.301 4.466 4.170 -0.008 0.000 0.284 462 I C -0.231 175.988 176.117 0.169 0.000 1.088 462 I CA -0.112 61.288 61.300 0.166 0.000 1.062 462 I CB 1.948 40.036 38.000 0.148 0.000 1.218 462 I HN 0.782 nan 8.210 nan 0.000 0.442 463 E N 7.957 128.208 120.200 0.086 0.000 2.130 463 E HA 0.323 4.668 4.350 -0.008 0.000 0.284 463 E C -1.212 175.440 176.600 0.086 0.000 1.018 463 E CA -0.546 55.894 56.400 0.067 0.000 0.817 463 E CB 1.001 30.699 29.700 -0.003 0.000 1.078 463 E HN 0.579 nan 8.360 nan 0.000 0.396 464 L N 4.111 125.362 121.223 0.046 0.000 2.295 464 L HA 0.192 4.527 4.340 -0.008 0.000 0.288 464 L C -0.033 176.837 176.870 -0.000 0.000 1.079 464 L CA -0.368 54.388 54.840 -0.140 0.000 0.830 464 L CB 1.083 42.716 42.059 -0.709 0.000 1.200 464 L HN 0.417 nan 8.230 nan 0.000 0.438 465 S N 3.767 119.600 115.700 0.223 0.000 2.438 465 S HA 0.309 4.774 4.470 -0.008 0.000 0.293 465 S C -0.132 174.682 174.600 0.355 0.000 1.141 465 S CA -0.557 57.811 58.200 0.280 0.000 1.080 465 S CB 1.362 64.791 63.200 0.383 0.000 0.978 465 S HN 0.439 nan 8.310 nan 0.000 0.479 466 K N 3.118 123.697 120.400 0.298 0.000 2.123 466 K HA 0.379 4.694 4.320 -0.008 0.000 0.259 466 K C -2.103 174.568 176.600 0.119 0.000 0.960 466 K CA -2.440 53.954 56.287 0.178 0.000 0.872 466 K CB 1.003 33.545 32.500 0.069 0.000 1.079 466 K HN 0.140 nan 8.250 nan 0.000 0.440 467 P HA -0.159 nan 4.420 nan 0.000 0.217 467 P C -1.163 176.254 177.300 0.194 0.000 1.148 467 P CA 1.287 64.465 63.100 0.129 0.000 0.828 467 P CB -0.067 31.686 31.700 0.089 0.000 0.783 468 H N -3.838 115.255 119.070 0.039 0.000 4.089 468 H HA -0.049 4.502 4.556 -0.008 0.000 0.337 468 H C -2.082 173.273 175.328 0.046 0.000 0.868 468 H CA -0.517 55.556 56.048 0.041 0.000 0.994 468 H CB -1.822 27.978 29.762 0.063 0.000 1.306 468 H HN 0.029 nan 8.280 nan 0.000 0.347 469 P HA -0.110 nan 4.420 nan 0.000 0.223 469 P C 0.804 177.916 177.300 -0.314 0.000 1.144 469 P CA 1.401 64.340 63.100 -0.270 0.000 0.783 469 P CB 0.251 31.856 31.700 -0.159 0.000 0.771 470 Q N -0.492 118.948 119.800 -0.600 0.000 2.228 470 Q HA 0.334 4.669 4.340 -0.008 0.000 0.211 470 Q C 0.485 176.481 176.000 -0.007 0.000 0.890 470 Q CA -0.056 55.635 55.803 -0.186 0.000 0.953 470 Q CB 0.038 28.806 28.738 0.051 0.000 1.053 470 Q HN 0.152 nan 8.270 nan 0.000 0.471 471 G N 0.521 109.279 108.800 -0.069 0.000 2.570 471 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.686 471 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.686 471 G C -0.175 174.747 174.900 0.037 0.000 1.257 471 G CA -0.755 44.323 45.100 -0.037 0.000 0.846 471 G HN 0.262 nan 8.290 nan 0.000 0.627 472 E N 0.096 120.273 120.200 -0.039 0.000 2.153 472 E HA -0.112 4.233 4.350 -0.008 0.000 0.194 472 E C 2.329 178.917 176.600 -0.021 0.000 0.988 472 E CA 1.714 58.110 56.400 -0.007 0.000 0.811 472 E CB -0.008 29.573 29.700 -0.198 0.000 0.746 472 E HN 0.774 nan 8.360 nan 0.000 0.466 473 E N -0.357 119.730 120.200 -0.189 0.000 2.347 473 E HA -0.167 4.178 4.350 -0.008 0.000 0.196 473 E C 0.701 177.137 176.600 -0.272 0.000 1.008 473 E CA 0.816 57.047 56.400 -0.280 0.000 0.852 473 E CB -0.035 29.383 29.700 -0.470 0.000 0.783 473 E HN 0.352 nan 8.360 nan 0.000 0.505 474 Y N 1.155 121.515 120.300 0.101 0.000 2.467 474 Y HA 0.371 4.916 4.550 -0.008 0.000 0.250 474 Y C 1.268 177.029 175.900 -0.232 0.000 1.155 474 Y CA -0.434 57.652 58.100 -0.023 0.000 1.249 474 Y CB 0.422 38.910 38.460 0.046 0.000 1.146 474 Y HN 0.041 nan 8.280 nan 0.000 0.524 475 G N 2.073 110.912 108.800 0.065 0.000 2.572 475 G HA2 0.400 4.355 3.960 -0.008 0.000 0.261 475 G HA3 0.400 4.355 3.960 -0.008 0.000 0.261 475 G C -2.488 172.247 174.900 -0.275 0.000 1.197 475 G CA -0.953 44.141 45.100 -0.010 0.000 0.870 475 G HN -0.083 nan 8.290 nan 0.000 0.548 476 P HA 0.414 nan 4.420 nan 0.000 0.304 476 P C -0.896 176.371 177.300 -0.056 0.000 1.310 476 P CA -0.677 62.362 63.100 -0.103 0.000 0.796 476 P CB 1.986 33.663 31.700 -0.038 0.000 1.297 477 V N 0.636 120.574 119.914 0.041 0.000 2.250 477 V HA 0.187 4.302 4.120 -0.008 0.000 0.268 477 V C 0.129 176.255 176.094 0.053 0.000 1.043 477 V CA -0.033 62.289 62.300 0.037 0.000 0.814 477 V CB 0.212 32.084 31.823 0.080 0.000 1.072 477 V HN 0.463 nan 8.190 nan 0.000 0.451 478 S N 3.869 119.582 115.700 0.021 0.000 2.616 478 S HA 0.619 5.084 4.470 -0.008 0.000 0.277 478 S C -0.230 174.368 174.600 -0.003 0.000 1.234 478 S CA -0.729 57.487 58.200 0.027 0.000 1.028 478 S CB 1.133 64.339 63.200 0.009 0.000 0.988 478 S HN 0.832 nan 8.310 nan 0.000 0.522 479 E N 0.623 120.818 120.200 -0.007 0.000 2.281 479 E HA 0.415 4.760 4.350 -0.008 0.000 0.266 479 E C -1.363 175.165 176.600 -0.120 0.000 0.893 479 E CA -0.769 55.588 56.400 -0.071 0.000 0.798 479 E CB 0.851 30.543 29.700 -0.014 0.000 1.245 479 E HN 0.234 nan 8.360 nan 0.000 0.410 480 V N 3.148 122.947 119.914 -0.192 0.000 2.881 480 V HA 0.277 4.392 4.120 -0.008 0.000 0.303 480 V C -0.782 175.095 176.094 -0.362 0.000 1.070 480 V CA 0.116 62.331 62.300 -0.142 0.000 1.074 480 V CB 0.017 31.785 31.823 -0.092 0.000 1.012 480 V HN 0.601 nan 8.190 nan 0.000 0.482 481 Y N 1.319 121.666 120.300 0.078 0.000 2.562 481 Y HA 0.741 5.285 4.550 -0.008 0.000 0.345 481 Y C -0.174 175.790 175.900 0.107 0.000 1.045 481 Y CA -0.750 57.444 58.100 0.158 0.000 1.028 481 Y CB 2.288 40.937 38.460 0.316 0.000 1.297 481 Y HN 0.341 nan 8.280 nan 0.000 0.463 482 V N 2.226 122.128 119.914 -0.019 0.000 3.078 482 V HA 0.513 4.627 4.120 -0.008 0.000 0.311 482 V C -2.410 172.947 176.094 -1.229 0.000 1.138 482 V CA -2.658 59.335 62.300 -0.512 0.000 1.007 482 V CB 2.740 34.416 31.823 -0.244 0.000 1.045 482 V HN 0.517 nan 8.190 nan 0.000 0.432 483 P HA 0.118 nan 4.420 nan 0.000 0.267 483 P C -0.935 175.852 177.300 -0.854 0.000 1.195 483 P CA 0.676 62.787 63.100 -1.648 0.000 0.773 483 P CB 0.402 31.621 31.700 -0.801 0.000 0.837 484 S N 0.358 115.672 115.700 -0.642 0.000 2.537 484 S HA 0.519 4.983 4.470 -0.008 0.000 0.271 484 S C -0.243 174.279 174.600 -0.130 0.000 1.148 484 S CA -0.424 57.626 58.200 -0.250 0.000 0.868 484 S CB 0.779 63.913 63.200 -0.110 0.000 1.115 484 S HN 0.239 nan 8.310 nan 0.000 0.461 485 S N 1.899 117.548 115.700 -0.084 0.000 2.817 485 S HA 0.151 4.616 4.470 -0.008 0.000 0.262 485 S C 0.560 175.143 174.600 -0.028 0.000 1.051 485 S CA -0.216 57.950 58.200 -0.056 0.000 1.185 485 S CB 0.254 63.418 63.200 -0.060 0.000 1.152 485 S HN 0.838 nan 8.310 nan 0.000 0.653 486 E N 2.086 122.278 120.200 -0.014 0.000 4.019 486 E HA 0.557 4.902 4.350 -0.008 0.000 0.547 486 E C 1.528 178.150 176.600 0.037 0.000 0.480 486 E CA 0.032 56.438 56.400 0.010 0.000 3.361 486 E CB -0.785 28.924 29.700 0.015 0.000 2.299 486 E HN 0.061 nan 8.360 nan 0.000 0.456 487 G N -0.011 108.822 108.800 0.056 0.000 2.948 487 G HA2 -0.104 3.851 3.960 -0.008 0.000 0.174 487 G HA3 -0.104 3.851 3.960 -0.008 0.000 0.174 487 G C 1.294 176.260 174.900 0.110 0.000 1.839 487 G CA 0.414 45.560 45.100 0.076 0.000 0.908 487 G HN 0.351 nan 8.290 nan 0.000 0.419 488 V N 0.662 120.639 119.914 0.105 0.000 2.626 488 V HA -0.048 4.067 4.120 -0.008 0.000 0.252 488 V C 2.591 178.730 176.094 0.075 0.000 1.067 488 V CA 2.293 64.640 62.300 0.078 0.000 1.081 488 V CB -0.460 31.390 31.823 0.046 0.000 0.686 488 V HN 0.466 nan 8.190 nan 0.000 0.468 489 E N 0.440 120.699 120.200 0.098 0.000 2.333 489 E HA -0.125 4.220 4.350 -0.008 0.000 0.198 489 E C 2.237 178.902 176.600 0.108 0.000 1.007 489 E CA 1.163 57.628 56.400 0.109 0.000 0.845 489 E CB -0.373 29.396 29.700 0.115 0.000 0.766 489 E HN 0.722 nan 8.360 nan 0.000 0.507 490 A N 0.589 123.459 122.820 0.083 0.000 1.877 490 A HA -0.196 4.119 4.320 -0.008 0.000 0.216 490 A C 1.913 179.449 177.584 -0.079 0.000 1.186 490 A CA 1.215 53.258 52.037 0.010 0.000 0.620 490 A CB -0.845 18.134 19.000 -0.035 0.000 0.822 490 A HN 0.236 nan 8.150 nan 0.000 0.443 491 Y N -0.204 120.075 120.300 -0.035 0.000 2.439 491 Y HA -0.059 4.485 4.550 -0.009 0.000 0.292 491 Y C 2.162 178.035 175.900 -0.045 0.000 1.130 491 Y CA 0.792 58.846 58.100 -0.078 0.000 1.254 491 Y CB 0.035 38.443 38.460 -0.087 0.000 1.000 491 Y HN 0.219 nan 8.280 nan 0.000 0.554 492 I N -1.405 119.232 120.570 0.111 0.000 2.546 492 I HA -0.319 3.846 4.170 -0.008 0.000 0.255 492 I C 2.278 178.440 176.117 0.075 0.000 1.163 492 I CA 1.105 62.456 61.300 0.084 0.000 1.457 492 I CB -1.006 37.067 38.000 0.122 0.000 1.092 492 I HN 0.545 nan 8.210 nan 0.000 0.434 493 W N 1.784 123.023 121.300 -0.102 0.000 2.407 493 W HA -0.160 4.495 4.660 -0.008 0.000 0.305 493 W C 2.311 178.701 176.519 -0.215 0.000 1.196 493 W CA 0.622 57.882 57.345 -0.142 0.000 1.311 493 W CB -0.115 29.265 29.460 -0.133 0.000 1.135 493 W HN 0.005 nan 8.180 nan 0.000 0.514 494 L N 0.664 121.699 121.223 -0.313 0.000 2.021 494 L HA -0.315 4.020 4.340 -0.008 0.000 0.215 494 L C 2.571 179.288 176.870 -0.256 0.000 1.074 494 L CA 1.470 56.052 54.840 -0.430 0.000 0.760 494 L CB -0.975 40.756 42.059 -0.548 0.000 0.889 494 L HN 0.084 nan 8.230 nan 0.000 0.433 495 L N -0.777 120.384 121.223 -0.104 0.000 2.156 495 L HA -0.118 4.217 4.340 -0.008 0.000 0.208 495 L C 2.650 179.327 176.870 -0.323 0.000 1.095 495 L CA 1.464 56.269 54.840 -0.058 0.000 0.770 495 L CB -0.593 41.502 42.059 0.061 0.000 0.914 495 L HN 0.169 nan 8.230 nan 0.000 0.439 496 A N -0.828 121.819 122.820 -0.289 0.000 1.930 496 A HA -0.209 4.106 4.320 -0.008 0.000 0.217 496 A C 2.341 179.717 177.584 -0.345 0.000 1.175 496 A CA 1.613 53.470 52.037 -0.300 0.000 0.627 496 A CB -0.300 18.424 19.000 -0.460 0.000 0.815 496 A HN 0.328 nan 8.150 nan 0.000 0.443 497 K N -0.406 119.631 120.400 -0.605 0.000 2.031 497 K HA 0.049 4.364 4.320 -0.008 0.000 0.205 497 K C 2.318 178.807 176.600 -0.184 0.000 1.049 497 K CA 1.008 56.902 56.287 -0.656 0.000 0.939 497 K CB -0.304 31.569 32.500 -1.046 0.000 0.717 497 K HN 0.396 nan 8.250 nan 0.000 0.438 498 A N 0.487 123.236 122.820 -0.119 0.000 1.940 498 A HA -0.181 4.134 4.320 -0.008 0.000 0.219 498 A C 1.764 179.327 177.584 -0.036 0.000 1.176 498 A CA 1.289 53.311 52.037 -0.026 0.000 0.631 498 A CB -0.906 18.076 19.000 -0.030 0.000 0.814 498 A HN 0.389 nan 8.150 nan 0.000 0.446 499 Y N -0.921 119.444 120.300 0.108 0.000 2.639 499 Y HA -0.050 4.495 4.550 -0.009 0.000 0.297 499 Y C 2.095 178.115 175.900 0.200 0.000 1.151 499 Y CA 0.495 58.702 58.100 0.179 0.000 1.335 499 Y CB 0.055 38.663 38.460 0.247 0.000 0.994 499 Y HN 0.168 nan 8.280 nan 0.000 0.548 500 V N -2.105 117.986 119.914 0.296 0.000 2.672 500 V HA -0.146 3.968 4.120 -0.008 0.000 0.242 500 V C 1.991 178.302 176.094 0.362 0.000 1.059 500 V CA 0.751 63.262 62.300 0.352 0.000 1.081 500 V CB -0.200 31.832 31.823 0.348 0.000 0.752 500 V HN 0.128 nan 8.190 nan 0.000 0.472 501 V N -0.045 120.054 119.914 0.308 0.000 2.295 501 V HA -0.240 3.875 4.120 -0.008 0.000 0.246 501 V C 2.491 178.707 176.094 0.203 0.000 1.049 501 V CA 1.965 64.413 62.300 0.246 0.000 1.024 501 V CB -0.610 31.334 31.823 0.200 0.000 0.648 501 V HN 0.378 nan 8.190 nan 0.000 0.447 502 V N 0.658 120.682 119.914 0.184 0.000 2.278 502 V HA -0.364 3.751 4.120 -0.008 0.000 0.251 502 V C 2.376 178.596 176.094 0.209 0.000 1.062 502 V CA 2.700 65.105 62.300 0.175 0.000 1.038 502 V CB -0.917 31.023 31.823 0.194 0.000 0.646 502 V HN 0.587 nan 8.190 nan 0.000 0.447 503 N N -0.317 118.536 118.700 0.254 0.000 2.149 503 N HA -0.172 4.563 4.740 -0.008 0.000 0.188 503 N C 1.565 177.087 175.510 0.020 0.000 1.019 503 N CA 1.782 54.964 53.050 0.219 0.000 0.857 503 N CB -0.310 38.330 38.487 0.256 0.000 0.997 503 N HN 0.665 nan 8.380 nan 0.000 0.426 504 D N -0.680 119.779 120.400 0.098 0.000 2.162 504 D HA 0.162 4.797 4.640 -0.008 0.000 0.205 504 D C 1.754 178.185 176.300 0.218 0.000 0.964 504 D CA 0.850 54.967 54.000 0.194 0.000 0.847 504 D CB -0.069 40.974 40.800 0.406 0.000 0.988 504 D HN 0.201 nan 8.370 nan 0.000 0.480 505 A N -0.232 122.699 122.820 0.186 0.000 1.978 505 A HA -0.194 4.121 4.320 -0.008 0.000 0.220 505 A C 2.406 180.071 177.584 0.135 0.000 1.170 505 A CA 1.564 53.728 52.037 0.211 0.000 0.636 505 A CB -1.104 18.059 19.000 0.271 0.000 0.810 505 A HN 0.525 nan 8.150 nan 0.000 0.448 506 C N -2.465 116.834 119.300 -0.001 0.000 2.533 506 C HA 0.153 4.608 4.460 -0.008 0.000 0.272 506 C C 2.301 176.924 174.990 -0.611 0.000 1.371 506 C CA 0.624 59.395 59.018 -0.413 0.000 1.758 506 C CB -1.349 26.021 27.740 -0.617 0.000 1.972 506 C HN 0.689 nan 8.230 nan 0.000 0.522 507 Y N 0.310 120.448 120.300 -0.270 0.000 2.314 507 Y HA -0.091 4.454 4.550 -0.008 0.000 0.293 507 Y C 2.529 178.408 175.900 -0.035 0.000 1.129 507 Y CA 2.213 60.272 58.100 -0.068 0.000 1.201 507 Y CB -0.724 37.814 38.460 0.130 0.000 0.999 507 Y HN 0.565 nan 8.280 nan 0.000 0.541 508 H N -0.219 118.867 119.070 0.026 0.000 2.312 508 H HA -0.221 4.330 4.556 -0.008 0.000 0.299 508 H C 2.102 177.348 175.328 -0.137 0.000 1.051 508 H CA 1.904 57.944 56.048 -0.014 0.000 1.227 508 H CB -0.396 29.378 29.762 0.019 0.000 1.389 508 H HN 0.258 nan 8.280 nan 0.000 0.524 509 Q N 0.272 119.790 119.800 -0.469 0.000 2.182 509 Q HA -0.166 4.169 4.340 -0.008 0.000 0.213 509 Q C 2.276 177.989 176.000 -0.478 0.000 1.000 509 Q CA 2.210 57.639 55.803 -0.623 0.000 0.889 509 Q CB -0.234 27.943 28.738 -0.935 0.000 0.932 509 Q HN 0.555 nan 8.270 nan 0.000 0.415 510 I N -1.198 119.107 120.570 -0.441 0.000 2.512 510 I HA -0.102 4.063 4.170 -0.008 0.000 0.247 510 I C 1.843 177.869 176.117 -0.151 0.000 1.094 510 I CA 0.697 61.833 61.300 -0.274 0.000 1.427 510 I CB -0.712 37.050 38.000 -0.397 0.000 1.149 510 I HN 0.184 nan 8.210 nan 0.000 0.438 511 I N 0.027 120.407 120.570 -0.317 0.000 2.512 511 I HA -0.010 4.155 4.170 -0.008 0.000 0.247 511 I C 2.530 178.531 176.117 -0.194 0.000 1.094 511 I CA 0.882 61.993 61.300 -0.315 0.000 1.427 511 I CB -1.328 36.209 38.000 -0.772 0.000 1.149 511 I HN 0.041 nan 8.210 nan 0.000 0.438 512 S N -0.588 114.992 115.700 -0.201 0.000 2.399 512 S HA -0.183 4.282 4.470 -0.008 0.000 0.231 512 S C 1.795 176.410 174.600 0.025 0.000 1.022 512 S CA 1.281 59.477 58.200 -0.007 0.000 0.983 512 S CB -0.299 62.971 63.200 0.116 0.000 0.803 512 S HN 0.535 nan 8.310 nan 0.000 0.480 513 H N -1.458 117.489 119.070 -0.205 0.000 2.320 513 H HA 0.044 4.595 4.556 -0.009 0.000 0.321 513 H C 2.108 177.411 175.328 -0.041 0.000 1.141 513 H CA 0.224 56.170 56.048 -0.169 0.000 1.670 513 H CB -0.322 29.189 29.762 -0.418 0.000 1.515 513 H HN 0.423 nan 8.280 nan 0.000 0.638 514 W N 1.664 122.798 121.300 -0.275 0.000 2.329 514 W HA -0.242 4.412 4.660 -0.009 0.000 0.324 514 W C 2.008 178.485 176.519 -0.070 0.000 1.222 514 W CA 1.603 58.788 57.345 -0.268 0.000 1.270 514 W CB -0.628 28.625 29.460 -0.346 0.000 1.167 514 W HN 0.390 nan 8.180 nan 0.000 0.467 515 L N 1.885 122.964 121.223 -0.240 0.000 1.976 515 L HA -0.194 4.141 4.340 -0.008 0.000 0.209 515 L C 2.101 178.820 176.870 -0.252 0.000 1.071 515 L CA 2.721 57.349 54.840 -0.354 0.000 0.746 515 L CB -1.439 40.558 42.059 -0.104 0.000 0.890 515 L HN 0.016 nan 8.230 nan 0.000 0.432 516 N N -1.811 116.877 118.700 -0.020 0.000 2.364 516 N HA -0.147 4.588 4.740 -0.008 0.000 0.183 516 N C 1.127 176.752 175.510 0.192 0.000 1.022 516 N CA 1.348 54.503 53.050 0.175 0.000 0.883 516 N CB -0.005 38.620 38.487 0.230 0.000 0.965 516 N HN 0.682 nan 8.380 nan 0.000 0.438 517 T N -2.688 111.938 114.554 0.120 0.000 3.518 517 T HA 0.058 4.403 4.350 -0.008 0.000 0.211 517 T C 1.508 176.214 174.700 0.012 0.000 0.940 517 T CA -0.155 62.034 62.100 0.148 0.000 1.307 517 T CB -0.462 68.573 68.868 0.277 0.000 1.392 517 T HN 0.009 nan 8.240 nan 0.000 0.382 518 H N 1.765 120.766 119.070 -0.116 0.000 2.260 518 H HA -0.185 4.366 4.556 -0.009 0.000 0.288 518 H C 2.632 177.596 175.328 -0.606 0.000 1.094 518 H CA 2.325 58.166 56.048 -0.344 0.000 1.197 518 H CB -0.630 28.857 29.762 -0.458 0.000 1.346 518 H HN 0.594 nan 8.280 nan 0.000 0.486 519 A N 0.751 123.030 122.820 -0.903 0.000 1.930 519 A HA -0.113 4.202 4.320 -0.008 0.000 0.217 519 A C 2.690 179.988 177.584 -0.476 0.000 1.175 519 A CA 2.010 53.549 52.037 -0.831 0.000 0.627 519 A CB -0.740 17.587 19.000 -1.122 0.000 0.815 519 A HN 0.357 nan 8.150 nan 0.000 0.443 520 V N -3.178 116.533 119.914 -0.338 0.000 3.306 520 V HA 0.003 4.118 4.120 -0.008 0.000 0.264 520 V C 1.929 178.176 176.094 0.255 0.000 1.149 520 V CA 1.358 63.603 62.300 -0.091 0.000 1.143 520 V CB -0.555 31.243 31.823 -0.042 0.000 0.767 520 V HN 0.150 nan 8.190 nan 0.000 0.476 521 V N 0.602 120.632 119.914 0.194 0.000 2.719 521 V HA -0.113 4.002 4.120 -0.008 0.000 0.252 521 V C 2.587 178.802 176.094 0.202 0.000 1.065 521 V CA 1.872 64.379 62.300 0.345 0.000 1.086 521 V CB -0.144 31.784 31.823 0.176 0.000 0.700 521 V HN 0.645 nan 8.190 nan 0.000 0.467 522 E N 0.890 121.097 120.200 0.011 0.000 2.065 522 E HA -0.231 4.114 4.350 -0.008 0.000 0.201 522 E C -0.369 176.189 176.600 -0.070 0.000 1.016 522 E CA 2.408 58.778 56.400 -0.049 0.000 0.818 522 E CB -1.032 28.634 29.700 -0.058 0.000 0.749 522 E HN 0.453 nan 8.360 nan 0.000 0.453 523 P HA -0.113 nan 4.420 nan 0.000 0.221 523 P C 0.562 177.742 177.300 -0.201 0.000 1.145 523 P CA 1.085 64.094 63.100 -0.152 0.000 0.795 523 P CB -0.046 31.368 31.700 -0.476 0.000 0.775 524 F N -0.942 119.007 119.950 -0.002 0.000 2.149 524 F HA -0.112 4.410 4.527 -0.009 0.000 0.294 524 F C 2.363 178.077 175.800 -0.143 0.000 1.095 524 F CA 1.012 59.052 58.000 0.066 0.000 1.276 524 F CB -1.500 37.630 39.000 0.218 0.000 1.023 524 F HN -0.307 nan 8.300 nan 0.000 0.480 525 V N 0.561 120.268 119.914 -0.344 0.000 2.332 525 V HA -0.302 3.813 4.120 -0.008 0.000 0.248 525 V C 2.250 178.189 176.094 -0.257 0.000 1.055 525 V CA 1.802 63.658 62.300 -0.740 0.000 1.038 525 V CB -0.679 30.836 31.823 -0.514 0.000 0.651 525 V HN 0.302 nan 8.190 nan 0.000 0.450 526 I N 0.426 120.925 120.570 -0.118 0.000 2.233 526 I HA -0.123 4.042 4.170 -0.008 0.000 0.243 526 I C 2.638 178.707 176.117 -0.080 0.000 1.093 526 I CA 1.315 62.547 61.300 -0.114 0.000 1.380 526 I CB -0.603 37.180 38.000 -0.363 0.000 1.067 526 I HN 0.259 nan 8.210 nan 0.000 0.413 527 A N 0.334 123.205 122.820 0.085 0.000 2.015 527 A HA -0.146 4.169 4.320 -0.008 0.000 0.219 527 A C 2.329 180.232 177.584 0.531 0.000 1.163 527 A CA 2.107 54.322 52.037 0.296 0.000 0.646 527 A CB -0.849 18.262 19.000 0.185 0.000 0.806 527 A HN 0.383 nan 8.150 nan 0.000 0.448 528 T N 0.174 115.025 114.554 0.495 0.000 2.809 528 T HA -0.081 4.264 4.350 -0.008 0.000 0.260 528 T C 1.758 176.628 174.700 0.282 0.000 1.039 528 T CA 1.612 63.989 62.100 0.461 0.000 1.141 528 T CB -0.396 68.778 68.868 0.511 0.000 0.869 528 T HN 0.646 nan 8.240 nan 0.000 0.437 529 N N 0.568 119.298 118.700 0.050 0.000 2.244 529 N HA 0.013 4.748 4.740 -0.008 0.000 0.183 529 N C 2.053 177.458 175.510 -0.175 0.000 1.016 529 N CA 0.721 53.657 53.050 -0.190 0.000 0.866 529 N CB 0.007 37.841 38.487 -1.087 0.000 0.980 529 N HN 0.262 nan 8.380 nan 0.000 0.430 530 R N -0.745 119.693 120.500 -0.103 0.000 2.119 530 R HA 0.081 4.416 4.340 -0.008 0.000 0.222 530 R C 0.967 177.060 176.300 -0.346 0.000 1.088 530 R CA 0.885 56.897 56.100 -0.147 0.000 0.984 530 R CB 0.078 30.318 30.300 -0.101 0.000 0.884 530 R HN 0.418 nan 8.270 nan 0.000 0.447 531 H N -1.525 117.615 119.070 0.116 0.000 2.755 531 H HA 0.214 4.766 4.556 -0.007 0.000 0.273 531 H C -0.535 174.810 175.328 0.030 0.000 1.055 531 H CA 0.028 56.144 56.048 0.112 0.000 1.191 531 H CB 0.984 30.868 29.762 0.204 0.000 1.536 531 H HN -0.061 nan 8.280 nan 0.000 0.529 532 L N 1.634 122.887 121.223 0.051 0.000 2.377 532 L HA 0.191 4.526 4.340 -0.008 0.000 0.270 532 L C 0.326 177.136 176.870 -0.101 0.000 0.991 532 L CA -0.351 54.418 54.840 -0.118 0.000 0.851 532 L CB 1.755 43.699 42.059 -0.191 0.000 1.218 532 L HN -0.056 nan 8.230 nan 0.000 0.420 533 S N 2.226 117.842 115.700 -0.140 0.000 2.563 533 S HA 0.013 4.478 4.470 -0.008 0.000 0.284 533 S C 1.444 175.804 174.600 -0.400 0.000 1.331 533 S CA 0.119 58.187 58.200 -0.219 0.000 1.047 533 S CB 0.855 63.963 63.200 -0.153 0.000 0.859 533 S HN 0.533 nan 8.310 nan 0.000 0.514 534 V N 5.026 124.594 119.914 -0.576 0.000 3.140 534 V HA -0.037 4.078 4.120 -0.008 0.000 0.269 534 V C 1.597 177.521 176.094 -0.283 0.000 1.149 534 V CA 1.939 63.795 62.300 -0.741 0.000 1.162 534 V CB -0.144 31.442 31.823 -0.396 0.000 0.756 534 V HN 0.763 nan 8.190 nan 0.000 0.523 535 V N -0.661 119.126 119.914 -0.212 0.000 3.621 535 V HA 0.193 4.308 4.120 -0.008 0.000 0.285 535 V C 1.018 177.092 176.094 -0.032 0.000 1.346 535 V CA -0.154 62.071 62.300 -0.125 0.000 1.104 535 V CB -0.375 31.300 31.823 -0.246 0.000 0.913 535 V HN 0.631 nan 8.190 nan 0.000 0.432 536 H N 2.232 121.259 119.070 -0.073 0.000 2.764 536 H HA 0.156 4.706 4.556 -0.009 0.000 0.341 536 H C -1.381 173.923 175.328 -0.039 0.000 1.072 536 H CA -1.288 54.739 56.048 -0.034 0.000 1.444 536 H CB 2.001 31.764 29.762 0.001 0.000 1.458 536 H HN 0.104 nan 8.280 nan 0.000 0.572 537 P HA -0.250 nan 4.420 nan 0.000 0.214 537 P C 1.619 178.937 177.300 0.030 0.000 1.172 537 P CA 1.223 64.046 63.100 -0.462 0.000 0.925 537 P CB 0.401 31.470 31.700 -1.052 0.000 0.793 538 I N -1.827 118.865 120.570 0.202 0.000 2.394 538 I HA -0.191 3.974 4.170 -0.008 0.000 0.251 538 I C 2.720 178.848 176.117 0.018 0.000 1.136 538 I CA 0.774 62.157 61.300 0.139 0.000 1.425 538 I CB -1.909 36.151 38.000 0.099 0.000 1.079 538 I HN -0.067 nan 8.210 nan 0.000 0.425 539 Y N 2.732 123.042 120.300 0.017 0.000 2.128 539 Y HA -0.269 4.277 4.550 -0.007 0.000 0.284 539 Y C 2.417 178.325 175.900 0.013 0.000 1.154 539 Y CA 1.957 60.050 58.100 -0.013 0.000 1.149 539 Y CB -0.089 38.375 38.460 0.007 0.000 0.976 539 Y HN 0.102 nan 8.280 nan 0.000 0.505 540 K N -0.348 120.125 120.400 0.122 0.000 2.365 540 K HA -0.093 4.222 4.320 -0.008 0.000 0.199 540 K C 1.829 178.307 176.600 -0.205 0.000 1.045 540 K CA 1.019 57.313 56.287 0.011 0.000 0.962 540 K CB -0.243 32.380 32.500 0.205 0.000 0.759 540 K HN 0.327 nan 8.250 nan 0.000 0.469 541 L N 1.385 122.436 121.223 -0.286 0.000 1.988 541 L HA -0.119 4.216 4.340 -0.008 0.000 0.207 541 L C 1.889 178.549 176.870 -0.350 0.000 1.071 541 L CA 1.601 56.110 54.840 -0.552 0.000 0.744 541 L CB -0.514 41.170 42.059 -0.625 0.000 0.893 541 L HN 0.050 nan 8.230 nan 0.000 0.433 542 L N -1.400 119.643 121.223 -0.300 0.000 2.027 542 L HA -0.177 4.158 4.340 -0.008 0.000 0.206 542 L C 2.528 178.947 176.870 -0.752 0.000 1.074 542 L CA 1.544 56.161 54.840 -0.372 0.000 0.745 542 L CB -0.914 40.989 42.059 -0.260 0.000 0.898 542 L HN 0.361 nan 8.230 nan 0.000 0.433 543 F N 2.463 121.907 119.950 -0.843 0.000 2.064 543 F HA -0.273 4.248 4.527 -0.009 0.000 0.293 543 F C -0.700 174.726 175.800 -0.624 0.000 1.086 543 F CA 2.276 59.818 58.000 -0.763 0.000 1.242 543 F CB -1.685 36.930 39.000 -0.643 0.000 0.970 543 F HN 0.107 nan 8.300 nan 0.000 0.494 544 P HA -0.079 nan 4.420 nan 0.000 0.237 544 P C 0.622 177.431 177.300 -0.819 0.000 1.178 544 P CA 1.363 63.874 63.100 -0.982 0.000 0.766 544 P CB -0.293 30.950 31.700 -0.761 0.000 0.876 545 H N -2.292 116.474 119.070 -0.506 0.000 2.533 545 H HA 0.158 4.709 4.556 -0.008 0.000 0.271 545 H C 0.283 175.517 175.328 -0.156 0.000 1.000 545 H CA 0.431 56.285 56.048 -0.323 0.000 1.149 545 H CB -0.017 29.569 29.762 -0.294 0.000 1.375 545 H HN 0.227 nan 8.280 nan 0.000 0.582 546 Y N -0.299 119.883 120.300 -0.196 0.000 2.500 546 Y HA 0.205 4.750 4.550 -0.009 0.000 0.246 546 Y C 1.266 177.077 175.900 -0.148 0.000 1.146 546 Y CA -0.884 57.139 58.100 -0.129 0.000 1.230 546 Y CB 0.210 38.606 38.460 -0.106 0.000 1.214 546 Y HN -0.079 nan 8.280 nan 0.000 0.526 547 R N 2.189 122.608 120.500 -0.135 0.000 2.507 547 R HA -0.058 4.277 4.340 -0.008 0.000 0.341 547 R C -0.315 175.928 176.300 -0.096 0.000 0.960 547 R CA 0.813 56.775 56.100 -0.229 0.000 1.032 547 R CB -0.319 29.704 30.300 -0.463 0.000 0.933 547 R HN 0.305 nan 8.270 nan 0.000 0.418 548 D N 1.752 122.212 120.400 0.100 0.000 3.046 548 D HA -0.168 4.467 4.640 -0.008 0.000 0.210 548 D C 0.625 176.992 176.300 0.113 0.000 1.124 548 D CA 1.896 56.005 54.000 0.183 0.000 0.986 548 D CB -0.715 40.172 40.800 0.145 0.000 1.118 548 D HN 0.637 nan 8.370 nan 0.000 0.416 549 T N -0.700 113.891 114.554 0.063 0.000 2.737 549 T HA -0.033 4.312 4.350 -0.008 0.000 0.265 549 T C 2.094 176.823 174.700 0.048 0.000 1.038 549 T CA 1.213 63.315 62.100 0.005 0.000 1.144 549 T CB -0.078 68.780 68.868 -0.017 0.000 0.866 549 T HN 0.298 nan 8.240 nan 0.000 0.434 550 M N 1.133 120.766 119.600 0.055 0.000 2.296 550 M HA -0.050 4.425 4.480 -0.008 0.000 0.265 550 M C 2.196 178.509 176.300 0.022 0.000 1.064 550 M CA 0.976 56.287 55.300 0.020 0.000 1.109 550 M CB -0.353 32.239 32.600 -0.013 0.000 1.396 550 M HN 0.166 nan 8.290 nan 0.000 0.430 551 N N 1.104 119.849 118.700 0.076 0.000 2.207 551 N HA -0.096 4.639 4.740 -0.008 0.000 0.182 551 N C 1.367 176.953 175.510 0.126 0.000 1.020 551 N CA 0.963 54.067 53.050 0.091 0.000 0.858 551 N CB -0.039 38.542 38.487 0.158 0.000 0.991 551 N HN 0.198 nan 8.380 nan 0.000 0.427 552 I N 0.665 121.337 120.570 0.169 0.000 2.546 552 I HA -0.010 4.155 4.170 -0.008 0.000 0.255 552 I C 1.344 177.621 176.117 0.267 0.000 1.163 552 I CA 1.120 62.554 61.300 0.224 0.000 1.457 552 I CB -0.406 37.757 38.000 0.273 0.000 1.092 552 I HN 0.215 nan 8.210 nan 0.000 0.434 553 N N -0.525 118.335 118.700 0.267 0.000 2.300 553 N HA -0.138 4.597 4.740 -0.008 0.000 0.179 553 N C 1.930 177.567 175.510 0.212 0.000 1.016 553 N CA 1.140 54.403 53.050 0.355 0.000 0.876 553 N CB -0.033 38.631 38.487 0.296 0.000 0.979 553 N HN 0.436 nan 8.380 nan 0.000 0.432 554 S N 1.379 117.127 115.700 0.080 0.000 2.383 554 S HA -0.081 4.384 4.470 -0.008 0.000 0.227 554 S C 1.913 176.513 174.600 -0.000 0.000 1.026 554 S CA 0.515 58.706 58.200 -0.014 0.000 0.981 554 S CB -0.382 62.751 63.200 -0.113 0.000 0.818 554 S HN 0.245 nan 8.310 nan 0.000 0.472 555 L N 0.876 122.125 121.223 0.042 0.000 2.395 555 L HA 0.337 4.671 4.340 -0.008 0.000 0.218 555 L C 2.545 179.432 176.870 0.028 0.000 1.130 555 L CA 0.968 55.833 54.840 0.041 0.000 0.826 555 L CB -0.518 41.590 42.059 0.083 0.000 0.941 555 L HN 0.420 nan 8.230 nan 0.000 0.451 556 A N -0.330 122.523 122.820 0.055 0.000 1.897 556 A HA -0.157 4.158 4.320 -0.008 0.000 0.215 556 A C 2.354 179.864 177.584 -0.124 0.000 1.181 556 A CA 1.213 53.228 52.037 -0.036 0.000 0.620 556 A CB -0.427 18.592 19.000 0.033 0.000 0.821 556 A HN 0.392 nan 8.150 nan 0.000 0.443 557 R N -0.856 119.618 120.500 -0.043 0.000 2.193 557 R HA -0.082 4.253 4.340 -0.008 0.000 0.229 557 R C 2.099 178.359 176.300 -0.067 0.000 1.110 557 R CA 1.355 57.424 56.100 -0.051 0.000 0.988 557 R CB 0.011 30.319 30.300 0.012 0.000 0.871 557 R HN 0.344 nan 8.270 nan 0.000 0.458 558 K N -1.169 119.197 120.400 -0.057 0.000 2.313 558 K HA 0.121 4.436 4.320 -0.008 0.000 0.197 558 K C 0.765 177.338 176.600 -0.046 0.000 1.061 558 K CA 0.889 57.147 56.287 -0.049 0.000 0.980 558 K CB 0.699 33.175 32.500 -0.040 0.000 0.888 558 K HN -0.046 nan 8.250 nan 0.000 0.502 559 S N -0.097 115.574 115.700 -0.049 0.000 2.787 559 S HA 0.330 4.795 4.470 -0.008 0.000 0.255 559 S C 0.993 175.556 174.600 -0.062 0.000 1.051 559 S CA -0.381 57.795 58.200 -0.041 0.000 1.124 559 S CB 0.868 64.059 63.200 -0.015 0.000 1.104 559 S HN 0.133 nan 8.310 nan 0.000 0.623 560 L N 0.017 121.172 121.223 -0.113 0.000 2.746 560 L HA 0.315 4.650 4.340 -0.008 0.000 0.230 560 L C 1.001 177.729 176.870 -0.237 0.000 1.034 560 L CA 0.185 54.935 54.840 -0.151 0.000 0.922 560 L CB 0.316 42.276 42.059 -0.166 0.000 1.496 560 L HN 0.216 nan 8.230 nan 0.000 0.498 561 V N -1.421 118.290 119.914 -0.338 0.000 3.039 561 V HA 0.322 4.436 4.120 -0.008 0.000 0.369 561 V C -0.016 175.918 176.094 -0.266 0.000 1.344 561 V CA -0.697 61.355 62.300 -0.413 0.000 1.270 561 V CB -1.099 30.238 31.823 -0.809 0.000 1.284 561 V HN 0.395 nan 8.190 nan 0.000 0.518 562 N N 0.868 119.467 118.700 -0.168 0.000 2.489 562 N HA 0.509 5.244 4.740 -0.008 0.000 0.284 562 N C 0.174 175.643 175.510 -0.068 0.000 1.158 562 N CA -0.024 52.966 53.050 -0.100 0.000 0.965 562 N CB 2.092 40.539 38.487 -0.067 0.000 1.195 562 N HN 0.329 nan 8.380 nan 0.000 0.506 563 A N 0.676 123.479 122.820 -0.029 0.000 2.507 563 A HA 0.154 4.469 4.320 -0.008 0.000 0.281 563 A C -0.216 177.404 177.584 0.061 0.000 1.154 563 A CA 0.302 52.342 52.037 0.005 0.000 0.828 563 A CB -1.466 17.580 19.000 0.077 0.000 1.069 563 A HN 0.854 nan 8.150 nan 0.000 0.522 564 D N 0.085 120.480 120.400 -0.009 0.000 3.132 564 D HA -0.113 4.522 4.640 -0.008 0.000 0.211 564 D C 0.644 176.937 176.300 -0.012 0.000 1.071 564 D CA 1.329 55.325 54.000 -0.006 0.000 0.948 564 D CB -1.321 39.526 40.800 0.077 0.000 1.079 564 D HN 0.993 nan 8.370 nan 0.000 0.437 565 G N -0.109 108.669 108.800 -0.036 0.000 2.621 565 G HA2 0.394 4.349 3.960 -0.008 0.000 0.271 565 G HA3 0.394 4.349 3.960 -0.008 0.000 0.271 565 G C 1.520 176.401 174.900 -0.033 0.000 1.236 565 G CA -0.510 44.564 45.100 -0.043 0.000 0.958 565 G HN 0.099 nan 8.290 nan 0.000 0.512 566 I N 0.204 120.761 120.570 -0.022 0.000 2.264 566 I HA -0.143 4.022 4.170 -0.008 0.000 0.248 566 I C 2.594 178.748 176.117 0.063 0.000 1.111 566 I CA 0.908 62.218 61.300 0.016 0.000 1.382 566 I CB -0.947 37.073 38.000 0.034 0.000 1.060 566 I HN 0.272 nan 8.210 nan 0.000 0.418 567 I N 0.924 121.503 120.570 0.015 0.000 2.315 567 I HA -0.189 3.976 4.170 -0.008 0.000 0.248 567 I C 2.504 178.665 176.117 0.073 0.000 1.117 567 I CA 1.174 62.508 61.300 0.056 0.000 1.404 567 I CB -1.138 36.763 38.000 -0.165 0.000 1.071 567 I HN 0.344 nan 8.210 nan 0.000 0.419 568 E N 0.537 120.732 120.200 -0.008 0.000 2.072 568 E HA -0.152 4.193 4.350 -0.008 0.000 0.190 568 E C 1.911 178.508 176.600 -0.005 0.000 0.982 568 E CA 0.657 57.050 56.400 -0.010 0.000 0.803 568 E CB -0.013 29.652 29.700 -0.057 0.000 0.755 568 E HN 0.310 nan 8.360 nan 0.000 0.453 569 K N 0.269 120.654 120.400 -0.025 0.000 2.296 569 K HA 0.020 4.335 4.320 -0.008 0.000 0.200 569 K C 1.764 178.312 176.600 -0.087 0.000 1.048 569 K CA 0.886 57.140 56.287 -0.054 0.000 0.966 569 K CB 0.080 32.545 32.500 -0.058 0.000 0.754 569 K HN 0.091 nan 8.250 nan 0.000 0.466 570 T N -0.327 114.176 114.554 -0.086 0.000 3.015 570 T HA 0.195 4.540 4.350 -0.008 0.000 0.250 570 T C 0.194 174.567 174.700 -0.545 0.000 1.057 570 T CA 0.177 62.099 62.100 -0.295 0.000 1.066 570 T CB 0.128 68.789 68.868 -0.346 0.000 0.959 570 T HN -0.103 nan 8.240 nan 0.000 0.488 571 F N 0.597 120.498 119.950 -0.083 0.000 2.538 571 F HA 0.445 4.967 4.527 -0.008 0.000 0.325 571 F C 0.988 176.742 175.800 -0.075 0.000 1.066 571 F CA -1.330 56.608 58.000 -0.103 0.000 0.946 571 F CB 1.092 39.989 39.000 -0.170 0.000 1.199 571 F HN -0.251 nan 8.300 nan 0.000 0.473 572 L N 1.449 122.723 121.223 0.084 0.000 2.051 572 L HA -0.234 4.101 4.340 -0.008 0.000 0.214 572 L C 1.490 178.542 176.870 0.303 0.000 1.076 572 L CA 2.202 57.129 54.840 0.145 0.000 0.758 572 L CB -0.364 41.807 42.059 0.186 0.000 0.890 572 L HN 0.703 nan 8.230 nan 0.000 0.433 573 W N 0.018 121.408 121.300 0.150 0.000 3.077 573 W HA 0.237 4.892 4.660 -0.009 0.000 0.245 573 W C 1.803 178.444 176.519 0.202 0.000 1.316 573 W CA 0.443 57.888 57.345 0.168 0.000 1.537 573 W CB -1.723 27.819 29.460 0.138 0.000 1.131 573 W HN 0.343 nan 8.180 nan 0.000 0.695 574 G N 1.611 110.584 108.800 0.290 0.000 2.690 574 G HA2 -0.453 3.502 3.960 -0.008 0.000 0.334 574 G HA3 -0.453 3.502 3.960 -0.008 0.000 0.334 574 G C 1.560 176.487 174.900 0.044 0.000 1.250 574 G CA 1.409 46.592 45.100 0.137 0.000 0.994 574 G HN 0.243 nan 8.290 nan 0.000 0.549 575 R N 0.534 120.959 120.500 -0.125 0.000 2.193 575 R HA -0.013 4.322 4.340 -0.008 0.000 0.229 575 R C 2.262 178.349 176.300 -0.354 0.000 1.110 575 R CA 2.254 58.145 56.100 -0.349 0.000 0.988 575 R CB -0.403 29.541 30.300 -0.594 0.000 0.871 575 R HN 0.714 nan 8.270 nan 0.000 0.458 576 Y N -0.430 119.932 120.300 0.105 0.000 2.462 576 Y HA 0.200 4.745 4.550 -0.008 0.000 0.261 576 Y C 2.328 178.279 175.900 0.086 0.000 1.146 576 Y CA 0.146 58.316 58.100 0.115 0.000 1.283 576 Y CB 0.176 38.763 38.460 0.213 0.000 1.090 576 Y HN -0.041 nan 8.280 nan 0.000 0.526 577 S N 0.941 116.821 115.700 0.299 0.000 2.404 577 S HA -0.262 4.203 4.470 -0.008 0.000 0.230 577 S C 1.919 176.629 174.600 0.184 0.000 1.046 577 S CA 1.997 60.406 58.200 0.347 0.000 1.135 577 S CB -0.736 62.524 63.200 0.100 0.000 1.056 577 S HN 0.360 nan 8.310 nan 0.000 0.426 578 L N 1.257 122.476 121.223 -0.007 0.000 2.291 578 L HA 0.003 4.338 4.340 -0.008 0.000 0.214 578 L C 2.480 179.265 176.870 -0.142 0.000 1.120 578 L CA 1.166 55.935 54.840 -0.118 0.000 0.799 578 L CB -0.494 41.410 42.059 -0.259 0.000 0.925 578 L HN 0.415 nan 8.230 nan 0.000 0.446 579 E N -0.126 120.032 120.200 -0.070 0.000 2.106 579 E HA -0.245 4.100 4.350 -0.008 0.000 0.192 579 E C 2.212 178.764 176.600 -0.080 0.000 0.984 579 E CA 1.266 57.640 56.400 -0.043 0.000 0.806 579 E CB -0.106 29.644 29.700 0.083 0.000 0.750 579 E HN 0.427 nan 8.360 nan 0.000 0.458 580 M N 0.231 119.737 119.600 -0.157 0.000 2.200 580 M HA -0.091 4.384 4.480 -0.008 0.000 0.265 580 M C 2.348 178.643 176.300 -0.008 0.000 1.066 580 M CA 1.169 56.301 55.300 -0.279 0.000 1.127 580 M CB 0.118 32.432 32.600 -0.477 0.000 1.379 580 M HN 0.085 nan 8.290 nan 0.000 0.420 581 S N 0.807 116.589 115.700 0.136 0.000 2.374 581 S HA -0.195 4.270 4.470 -0.008 0.000 0.227 581 S C 2.072 176.878 174.600 0.344 0.000 1.037 581 S CA 1.482 59.835 58.200 0.256 0.000 1.024 581 S CB -0.506 62.914 63.200 0.367 0.000 0.861 581 S HN 0.597 nan 8.310 nan 0.000 0.456 582 A N 1.490 124.455 122.820 0.241 0.000 1.883 582 A HA -0.109 4.206 4.320 -0.008 0.000 0.217 582 A C 2.452 180.233 177.584 0.329 0.000 1.186 582 A CA 2.017 54.263 52.037 0.347 0.000 0.624 582 A CB -1.117 17.942 19.000 0.098 0.000 0.822 582 A HN 0.509 nan 8.150 nan 0.000 0.444 583 V N -1.579 118.451 119.914 0.194 0.000 2.427 583 V HA -0.165 3.950 4.120 -0.008 0.000 0.248 583 V C 2.270 178.469 176.094 0.175 0.000 1.051 583 V CA 1.697 64.102 62.300 0.175 0.000 1.048 583 V CB -1.015 30.890 31.823 0.136 0.000 0.666 583 V HN 0.493 nan 8.190 nan 0.000 0.456 584 I N -0.649 120.018 120.570 0.162 0.000 2.394 584 I HA -0.191 3.974 4.170 -0.008 0.000 0.251 584 I C 2.520 178.773 176.117 0.227 0.000 1.136 584 I CA 1.931 63.327 61.300 0.160 0.000 1.425 584 I CB -0.389 37.675 38.000 0.106 0.000 1.079 584 I HN 0.384 nan 8.210 nan 0.000 0.425 585 Y N 2.085 122.484 120.300 0.165 0.000 2.421 585 Y HA -0.134 4.411 4.550 -0.008 0.000 0.292 585 Y C 2.215 178.259 175.900 0.239 0.000 1.136 585 Y CA 1.231 59.441 58.100 0.183 0.000 1.255 585 Y CB -0.216 38.299 38.460 0.093 0.000 0.991 585 Y HN -0.010 nan 8.280 nan 0.000 0.552 586 K N -0.112 120.370 120.400 0.138 0.000 2.360 586 K HA -0.143 4.172 4.320 -0.008 0.000 0.201 586 K C 0.489 177.118 176.600 0.048 0.000 1.046 586 K CA 1.390 57.723 56.287 0.076 0.000 0.945 586 K CB -0.027 32.552 32.500 0.131 0.000 0.750 586 K HN 0.471 nan 8.250 nan 0.000 0.464 587 D N -1.141 119.295 120.400 0.061 0.000 2.398 587 D HA -0.036 4.599 4.640 -0.008 0.000 0.210 587 D C -0.066 176.235 176.300 0.002 0.000 1.094 587 D CA -0.142 53.883 54.000 0.042 0.000 0.839 587 D CB -0.007 40.833 40.800 0.067 0.000 0.963 587 D HN 0.154 nan 8.370 nan 0.000 0.506 588 W N 2.483 123.658 121.300 -0.208 0.000 2.303 588 W HA 0.247 4.902 4.660 -0.008 0.000 0.318 588 W C -0.655 175.603 176.519 -0.434 0.000 1.362 588 W CA -0.004 57.199 57.345 -0.237 0.000 1.234 588 W CB 0.591 29.964 29.460 -0.145 0.000 1.248 588 W HN -0.386 nan 8.180 nan 0.000 0.546 589 V N 9.501 128.733 119.914 -1.136 0.000 2.448 589 V HA 0.109 4.224 4.120 -0.008 0.000 0.295 589 V C 0.507 175.357 176.094 -2.074 0.000 1.025 589 V CA -0.696 60.398 62.300 -2.009 0.000 0.859 589 V CB 1.173 32.040 31.823 -1.593 0.000 0.988 589 V HN 0.675 nan 8.190 nan 0.000 0.431 590 F N 3.752 122.283 119.950 -2.365 0.000 2.146 590 F HA -0.117 4.405 4.527 -0.008 0.000 0.298 590 F C 2.238 177.611 175.800 -0.713 0.000 1.096 590 F CA 2.395 59.578 58.000 -1.362 0.000 1.275 590 F CB -0.313 38.389 39.000 -0.497 0.000 1.008 590 F HN 0.606 nan 8.300 nan 0.000 0.480 591 T N 0.218 114.363 114.554 -0.682 0.000 2.635 591 T HA -0.238 4.107 4.350 -0.008 0.000 0.267 591 T C 1.143 175.531 174.700 -0.520 0.000 1.040 591 T CA 1.901 63.712 62.100 -0.481 0.000 1.156 591 T CB -0.564 68.116 68.868 -0.314 0.000 0.863 591 T HN 0.176 nan 8.240 nan 0.000 0.430 592 D N 1.121 121.170 120.400 -0.584 0.000 2.379 592 D HA -0.016 4.619 4.640 -0.008 0.000 0.243 592 D C 1.946 178.005 176.300 -0.402 0.000 1.088 592 D CA 0.339 54.059 54.000 -0.465 0.000 0.925 592 D CB -0.122 40.408 40.800 -0.449 0.000 0.888 592 D HN 0.374 nan 8.370 nan 0.000 0.529 593 Q N -0.082 119.464 119.800 -0.423 0.000 2.391 593 Q HA 0.203 4.538 4.340 -0.008 0.000 0.211 593 Q C 0.744 176.605 176.000 -0.232 0.000 0.908 593 Q CA 0.069 55.742 55.803 -0.216 0.000 0.920 593 Q CB -0.004 28.676 28.738 -0.097 0.000 1.056 593 Q HN 0.199 nan 8.270 nan 0.000 0.523 594 A N 1.849 124.396 122.820 -0.456 0.000 2.548 594 A HA 0.015 4.329 4.320 -0.008 0.000 0.247 594 A C 1.230 178.125 177.584 -1.148 0.000 1.067 594 A CA -0.065 51.472 52.037 -0.832 0.000 0.757 594 A CB 0.035 18.678 19.000 -0.595 0.000 0.996 594 A HN 0.285 nan 8.150 nan 0.000 0.504 595 L N 4.679 124.784 121.223 -1.863 0.000 2.083 595 L HA -0.030 4.305 4.340 -0.008 0.000 0.209 595 L C -0.814 175.467 176.870 -0.983 0.000 1.083 595 L CA 2.219 56.244 54.840 -1.359 0.000 0.752 595 L CB -1.140 39.904 42.059 -1.691 0.000 0.899 595 L HN 0.511 nan 8.230 nan 0.000 0.433 596 P HA -0.173 nan 4.420 nan 0.000 0.214 596 P C 1.252 178.312 177.300 -0.399 0.000 1.163 596 P CA 1.719 64.485 63.100 -0.556 0.000 0.889 596 P CB -0.192 31.253 31.700 -0.425 0.000 0.790 597 N N -0.604 117.843 118.700 -0.422 0.000 2.069 597 N HA -0.195 4.540 4.740 -0.008 0.000 0.191 597 N C 1.567 176.913 175.510 -0.273 0.000 1.031 597 N CA 1.526 54.389 53.050 -0.311 0.000 0.852 597 N CB -0.819 37.468 38.487 -0.334 0.000 1.018 597 N HN 0.169 nan 8.380 nan 0.000 0.423 598 D N 0.913 121.127 120.400 -0.311 0.000 2.108 598 D HA -0.145 4.490 4.640 -0.008 0.000 0.190 598 D C 2.014 178.233 176.300 -0.135 0.000 0.995 598 D CA 1.006 54.884 54.000 -0.203 0.000 0.834 598 D CB -0.179 40.508 40.800 -0.187 0.000 0.967 598 D HN -0.048 nan 8.370 nan 0.000 0.446 599 L N 0.121 121.243 121.223 -0.169 0.000 1.990 599 L HA -0.162 4.173 4.340 -0.008 0.000 0.213 599 L C 2.682 179.509 176.870 -0.072 0.000 1.072 599 L CA 1.104 55.877 54.840 -0.112 0.000 0.755 599 L CB -1.055 40.885 42.059 -0.198 0.000 0.889 599 L HN 0.097 nan 8.230 nan 0.000 0.432 600 V N -0.646 119.202 119.914 -0.110 0.000 2.490 600 V HA -0.254 3.861 4.120 -0.008 0.000 0.250 600 V C 2.565 178.623 176.094 -0.059 0.000 1.061 600 V CA 1.344 63.597 62.300 -0.078 0.000 1.064 600 V CB -0.570 31.190 31.823 -0.105 0.000 0.670 600 V HN 0.412 nan 8.190 nan 0.000 0.461 601 K N 0.216 120.570 120.400 -0.076 0.000 2.076 601 K HA -0.015 4.300 4.320 -0.008 0.000 0.204 601 K C 2.219 178.810 176.600 -0.014 0.000 1.051 601 K CA 1.029 57.280 56.287 -0.059 0.000 0.949 601 K CB -0.319 32.125 32.500 -0.094 0.000 0.726 601 K HN 0.396 nan 8.250 nan 0.000 0.443 602 R N -0.432 120.072 120.500 0.008 0.000 2.189 602 R HA -0.022 4.313 4.340 -0.008 0.000 0.218 602 R C 1.145 177.500 176.300 0.092 0.000 1.074 602 R CA 0.819 56.952 56.100 0.055 0.000 0.991 602 R CB -0.001 30.344 30.300 0.076 0.000 0.883 602 R HN 0.428 nan 8.270 nan 0.000 0.457 603 G N 0.346 109.190 108.800 0.074 0.000 2.141 603 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.242 603 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.242 603 G C 0.676 175.674 174.900 0.165 0.000 0.982 603 G CA 0.304 45.462 45.100 0.097 0.000 0.662 603 G HN 0.312 nan 8.290 nan 0.000 0.527 604 V N -2.945 117.064 119.914 0.158 0.000 3.630 604 V HA 0.738 4.853 4.120 -0.008 0.000 0.273 604 V C 0.857 177.021 176.094 0.117 0.000 1.248 604 V CA 1.082 63.488 62.300 0.176 0.000 1.170 604 V CB -0.495 31.438 31.823 0.183 0.000 0.899 604 V HN 2.083 nan 8.190 nan 0.000 0.457 605 A N -0.359 122.500 122.820 0.065 0.000 2.601 605 A HA 0.842 5.157 4.320 -0.008 0.000 0.291 605 A C -0.981 176.605 177.584 0.003 0.000 1.075 605 A CA -0.028 52.021 52.037 0.020 0.000 0.671 605 A CB 1.781 20.761 19.000 -0.033 0.000 1.277 605 A HN 1.087 nan 8.150 nan 0.000 0.417 606 V N -1.157 118.754 119.914 -0.006 0.000 2.925 606 V HA 0.603 4.718 4.120 -0.008 0.000 0.311 606 V C -0.186 175.896 176.094 -0.021 0.000 1.104 606 V CA -1.093 61.200 62.300 -0.013 0.000 0.954 606 V CB 1.741 33.563 31.823 -0.002 0.000 1.022 606 V HN 0.948 nan 8.190 nan 0.000 0.427 607 K N 2.266 122.651 120.400 -0.026 0.000 2.336 607 K HA 0.165 4.480 4.320 -0.008 0.000 0.290 607 K C -0.632 175.958 176.600 -0.016 0.000 1.067 607 K CA 0.209 56.481 56.287 -0.025 0.000 0.962 607 K CB 0.045 32.528 32.500 -0.028 0.000 1.008 607 K HN 0.875 nan 8.250 nan 0.000 0.467 608 D N 6.032 126.424 120.400 -0.014 0.000 2.420 608 D HA 0.177 4.812 4.640 -0.008 0.000 0.255 608 D C -2.185 174.108 176.300 -0.013 0.000 1.185 608 D CA -2.060 51.933 54.000 -0.012 0.000 0.904 608 D CB 1.820 42.614 40.800 -0.010 0.000 1.102 608 D HN 0.252 nan 8.370 nan 0.000 0.534 609 P HA 0.002 nan 4.420 nan 0.000 0.233 609 P C 1.117 178.406 177.300 -0.019 0.000 1.167 609 P CA 0.433 63.526 63.100 -0.013 0.000 0.770 609 P CB 0.442 32.136 31.700 -0.010 0.000 0.837 610 S N -0.656 115.033 115.700 -0.019 0.000 2.428 610 S HA 0.077 4.542 4.470 -0.008 0.000 0.230 610 S C 1.246 175.828 174.600 -0.031 0.000 1.014 610 S CA 0.587 58.774 58.200 -0.022 0.000 0.957 610 S CB -0.603 62.587 63.200 -0.017 0.000 0.784 610 S HN 0.173 nan 8.310 nan 0.000 0.499 611 A N 1.869 124.670 122.820 -0.031 0.000 2.286 611 A HA 0.544 4.859 4.320 -0.008 0.000 0.286 611 A C -1.584 175.954 177.584 -0.077 0.000 1.097 611 A CA -1.610 50.401 52.037 -0.043 0.000 0.821 611 A CB 0.077 19.062 19.000 -0.023 0.000 1.076 611 A HN 0.047 nan 8.150 nan 0.000 0.490 612 P HA -0.108 nan 4.420 nan 0.000 0.218 612 P C 0.287 177.287 177.300 -0.500 0.000 1.148 612 P CA 1.699 64.602 63.100 -0.327 0.000 0.822 612 P CB 0.032 31.489 31.700 -0.405 0.000 0.784 613 H N -3.600 115.465 119.070 -0.009 0.000 2.755 613 H HA 0.424 4.974 4.556 -0.008 0.000 0.273 613 H C 1.185 176.514 175.328 0.002 0.000 1.055 613 H CA 0.447 56.498 56.048 0.006 0.000 1.191 613 H CB 0.302 30.066 29.762 0.004 0.000 1.536 613 H HN 0.055 nan 8.280 nan 0.000 0.529 614 G N 0.739 109.560 108.800 0.035 0.000 2.144 614 G HA2 -0.237 3.718 3.960 -0.008 0.000 0.218 614 G HA3 -0.237 3.718 3.960 -0.008 0.000 0.218 614 G C -0.146 174.759 174.900 0.007 0.000 0.988 614 G CA 0.161 45.271 45.100 0.017 0.000 0.659 614 G HN 0.451 nan 8.290 nan 0.000 0.522 615 V N -2.916 117.006 119.914 0.014 0.000 2.733 615 V HA 0.822 4.937 4.120 -0.008 0.000 0.306 615 V C -0.221 175.872 176.094 -0.001 0.000 1.084 615 V CA -1.322 60.972 62.300 -0.009 0.000 0.905 615 V CB 1.778 33.573 31.823 -0.046 0.000 1.010 615 V HN 0.497 nan 8.190 nan 0.000 0.424 616 R N 3.628 124.123 120.500 -0.007 0.000 2.255 616 R HA 0.672 5.007 4.340 -0.008 0.000 0.326 616 R C -0.942 175.360 176.300 0.003 0.000 0.986 616 R CA -0.722 55.379 56.100 0.000 0.000 0.847 616 R CB 1.250 31.551 30.300 0.001 0.000 1.111 616 R HN 0.898 nan 8.270 nan 0.000 0.452 617 L N 6.768 127.996 121.223 0.008 0.000 2.369 617 L HA 0.087 4.422 4.340 -0.008 0.000 0.279 617 L C 1.288 178.187 176.870 0.049 0.000 1.108 617 L CA -0.176 54.677 54.840 0.022 0.000 0.852 617 L CB 0.972 43.041 42.059 0.016 0.000 1.169 617 L HN 0.755 nan 8.230 nan 0.000 0.452 618 L N 4.464 125.735 121.223 0.080 0.000 2.109 618 L HA -0.025 4.310 4.340 -0.008 0.000 0.207 618 L C 0.809 177.740 176.870 0.103 0.000 1.086 618 L CA 1.011 55.916 54.840 0.108 0.000 0.760 618 L CB -0.122 42.041 42.059 0.173 0.000 0.910 618 L HN 0.542 nan 8.230 nan 0.000 0.437 619 I N 0.526 121.133 120.570 0.061 0.000 2.281 619 I HA 0.030 4.195 4.170 -0.008 0.000 0.293 619 I C 0.996 177.134 176.117 0.036 0.000 1.085 619 I CA -0.021 61.257 61.300 -0.037 0.000 1.257 619 I CB 0.910 38.733 38.000 -0.294 0.000 1.430 619 I HN 0.168 nan 8.210 nan 0.000 0.489 620 E N 2.803 123.017 120.200 0.023 0.000 2.208 620 E HA -0.171 4.174 4.350 -0.008 0.000 0.193 620 E C 0.396 177.018 176.600 0.038 0.000 0.988 620 E CA 0.782 57.201 56.400 0.032 0.000 0.828 620 E CB 0.145 29.857 29.700 0.020 0.000 0.763 620 E HN 0.545 nan 8.360 nan 0.000 0.478 621 D N 0.039 120.457 120.400 0.030 0.000 3.058 621 D HA -0.060 4.575 4.640 -0.008 0.000 0.272 621 D C -1.151 175.188 176.300 0.065 0.000 1.350 621 D CA -0.472 53.552 54.000 0.040 0.000 0.863 621 D CB -0.393 40.420 40.800 0.022 0.000 1.064 621 D HN -0.036 nan 8.370 nan 0.000 0.488 622 Y N 1.563 121.805 120.300 -0.096 0.000 2.627 622 Y HA 0.326 4.871 4.550 -0.008 0.000 0.347 622 Y C -1.773 174.055 175.900 -0.121 0.000 1.099 622 Y CA -2.943 55.078 58.100 -0.131 0.000 1.408 622 Y CB 0.803 39.178 38.460 -0.141 0.000 1.247 622 Y HN 0.094 nan 8.280 nan 0.000 0.506 623 P HA -0.250 nan 4.420 nan 0.000 0.217 623 P C 1.287 178.521 177.300 -0.111 0.000 1.148 623 P CA 1.559 64.609 63.100 -0.083 0.000 0.828 623 P CB -0.066 31.453 31.700 -0.302 0.000 0.783 624 Y N 0.932 121.072 120.300 -0.267 0.000 2.130 624 Y HA -0.027 4.518 4.550 -0.009 0.000 0.287 624 Y C 2.385 178.182 175.900 -0.172 0.000 1.124 624 Y CA 1.568 59.615 58.100 -0.088 0.000 1.118 624 Y CB -1.178 37.272 38.460 -0.018 0.000 0.994 624 Y HN -0.106 nan 8.280 nan 0.000 0.497 625 A N -1.006 121.252 122.820 -0.937 0.000 2.067 625 A HA -0.089 4.226 4.320 -0.008 0.000 0.219 625 A C 2.445 179.737 177.584 -0.486 0.000 1.158 625 A CA 1.598 53.084 52.037 -0.918 0.000 0.661 625 A CB -1.121 17.206 19.000 -1.121 0.000 0.801 625 A HN 0.531 nan 8.150 nan 0.000 0.452 626 S N -0.071 115.457 115.700 -0.288 0.000 2.336 626 S HA -0.120 4.344 4.470 -0.008 0.000 0.216 626 S C 1.567 176.125 174.600 -0.071 0.000 1.032 626 S CA 1.437 59.567 58.200 -0.117 0.000 0.973 626 S CB -0.376 62.810 63.200 -0.023 0.000 0.888 626 S HN 0.543 nan 8.310 nan 0.000 0.455 627 D N 0.931 121.335 120.400 0.007 0.000 2.219 627 D HA 0.063 4.698 4.640 -0.008 0.000 0.205 627 D C 1.983 178.298 176.300 0.025 0.000 0.970 627 D CA 1.084 55.126 54.000 0.071 0.000 0.851 627 D CB -0.899 40.025 40.800 0.206 0.000 0.943 627 D HN 0.504 nan 8.370 nan 0.000 0.488 628 G N 0.797 109.551 108.800 -0.077 0.000 2.453 628 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.215 628 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.215 628 G C 1.463 176.281 174.900 -0.137 0.000 1.201 628 G CA 0.259 45.324 45.100 -0.058 0.000 0.784 628 G HN 0.142 nan 8.290 nan 0.000 0.545 629 L N 0.910 121.930 121.223 -0.339 0.000 2.043 629 L HA -0.091 4.244 4.340 -0.008 0.000 0.212 629 L C 2.716 179.298 176.870 -0.480 0.000 1.075 629 L CA 1.839 56.396 54.840 -0.472 0.000 0.752 629 L CB -1.117 40.585 42.059 -0.596 0.000 0.891 629 L HN 0.303 nan 8.230 nan 0.000 0.432 630 E N -0.950 119.052 120.200 -0.330 0.000 2.085 630 E HA -0.209 4.136 4.350 -0.008 0.000 0.194 630 E C 2.117 178.734 176.600 0.028 0.000 0.994 630 E CA 1.136 57.480 56.400 -0.095 0.000 0.801 630 E CB -0.006 29.702 29.700 0.012 0.000 0.743 630 E HN 0.322 nan 8.360 nan 0.000 0.453 631 I N -0.121 120.513 120.570 0.106 0.000 2.584 631 I HA -0.178 3.987 4.170 -0.008 0.000 0.255 631 I C 2.129 178.440 176.117 0.323 0.000 1.145 631 I CA 0.756 62.193 61.300 0.228 0.000 1.462 631 I CB -1.192 36.998 38.000 0.317 0.000 1.102 631 I HN 0.424 nan 8.210 nan 0.000 0.433 632 W N 3.076 124.393 121.300 0.029 0.000 2.355 632 W HA -0.221 4.434 4.660 -0.009 0.000 0.309 632 W C 1.696 178.198 176.519 -0.028 0.000 1.206 632 W CA 1.393 58.676 57.345 -0.103 0.000 1.284 632 W CB -0.157 28.997 29.460 -0.509 0.000 1.145 632 W HN 0.138 nan 8.180 nan 0.000 0.502 633 D N 0.567 120.890 120.400 -0.130 0.000 2.224 633 D HA -0.075 4.560 4.640 -0.008 0.000 0.205 633 D C 2.317 178.580 176.300 -0.063 0.000 0.965 633 D CA 1.393 55.281 54.000 -0.187 0.000 0.852 633 D CB -0.360 40.475 40.800 0.058 0.000 0.947 633 D HN 0.196 nan 8.370 nan 0.000 0.494 634 A N 0.738 123.594 122.820 0.060 0.000 1.933 634 A HA -0.123 4.192 4.320 -0.008 0.000 0.218 634 A C 2.295 180.069 177.584 0.318 0.000 1.175 634 A CA 0.769 52.920 52.037 0.191 0.000 0.628 634 A CB -0.479 18.624 19.000 0.172 0.000 0.814 634 A HN 0.150 nan 8.150 nan 0.000 0.444 635 I N -0.934 119.750 120.570 0.190 0.000 2.162 635 I HA -0.203 3.962 4.170 -0.008 0.000 0.238 635 I C 2.525 178.560 176.117 -0.137 0.000 1.076 635 I CA 1.599 62.965 61.300 0.110 0.000 1.353 635 I CB -0.241 37.801 38.000 0.071 0.000 1.063 635 I HN 0.267 nan 8.210 nan 0.000 0.408 636 K N 0.740 120.891 120.400 -0.416 0.000 2.103 636 K HA -0.216 4.099 4.320 -0.008 0.000 0.207 636 K C 2.333 178.790 176.600 -0.238 0.000 1.048 636 K CA 1.889 57.888 56.287 -0.481 0.000 0.930 636 K CB -0.052 31.973 32.500 -0.792 0.000 0.716 636 K HN 0.433 nan 8.250 nan 0.000 0.444 637 S N 0.679 116.314 115.700 -0.107 0.000 2.343 637 S HA -0.219 4.246 4.470 -0.008 0.000 0.219 637 S C 1.918 176.551 174.600 0.055 0.000 1.033 637 S CA 0.941 59.137 58.200 -0.007 0.000 1.014 637 S CB -1.257 61.982 63.200 0.065 0.000 0.915 637 S HN 0.642 nan 8.310 nan 0.000 0.435 638 W N 2.847 124.084 121.300 -0.105 0.000 2.304 638 W HA -0.259 4.395 4.660 -0.009 0.000 0.315 638 W C 2.221 178.684 176.519 -0.094 0.000 1.233 638 W CA 2.094 59.342 57.345 -0.161 0.000 1.261 638 W CB -0.548 28.502 29.460 -0.684 0.000 1.150 638 W HN 0.358 nan 8.180 nan 0.000 0.494 639 V N 0.356 119.943 119.914 -0.546 0.000 2.626 639 V HA -0.218 3.897 4.120 -0.008 0.000 0.252 639 V C 2.043 177.974 176.094 -0.272 0.000 1.067 639 V CA 2.577 64.516 62.300 -0.603 0.000 1.081 639 V CB -0.507 31.064 31.823 -0.421 0.000 0.686 639 V HN 0.352 nan 8.190 nan 0.000 0.468 640 E N -0.029 120.063 120.200 -0.178 0.000 2.112 640 E HA -0.224 4.121 4.350 -0.008 0.000 0.190 640 E C 2.162 178.693 176.600 -0.115 0.000 0.979 640 E CA 1.263 57.594 56.400 -0.114 0.000 0.814 640 E CB 0.016 29.657 29.700 -0.098 0.000 0.762 640 E HN 0.851 nan 8.360 nan 0.000 0.460 641 E N -0.318 119.822 120.200 -0.100 0.000 2.017 641 E HA -0.232 4.113 4.350 -0.008 0.000 0.193 641 E C 1.897 178.312 176.600 -0.310 0.000 0.997 641 E CA 1.277 57.571 56.400 -0.177 0.000 0.804 641 E CB -0.287 29.444 29.700 0.052 0.000 0.757 641 E HN 0.263 nan 8.360 nan 0.000 0.448 642 Y N 0.908 121.101 120.300 -0.178 0.000 1.977 642 Y HA -0.351 4.193 4.550 -0.009 0.000 0.264 642 Y C 2.193 178.192 175.900 0.165 0.000 1.167 642 Y CA 2.116 60.232 58.100 0.027 0.000 1.102 642 Y CB -0.660 37.444 38.460 -0.593 0.000 0.948 642 Y HN -0.069 nan 8.280 nan 0.000 0.489 643 V N -0.503 119.527 119.914 0.194 0.000 2.636 643 V HA -0.362 3.753 4.120 -0.008 0.000 0.258 643 V C 2.324 178.510 176.094 0.153 0.000 1.092 643 V CA 2.123 64.561 62.300 0.230 0.000 1.110 643 V CB -0.841 31.067 31.823 0.141 0.000 0.685 643 V HN 0.456 nan 8.190 nan 0.000 0.481 644 S N -1.092 114.562 115.700 -0.077 0.000 2.446 644 S HA 0.053 4.518 4.470 -0.008 0.000 0.225 644 S C 1.596 176.081 174.600 -0.191 0.000 1.016 644 S CA 0.664 58.775 58.200 -0.148 0.000 0.943 644 S CB -0.284 62.757 63.200 -0.265 0.000 0.786 644 S HN 0.623 nan 8.310 nan 0.000 0.508 645 F N -0.044 119.790 119.950 -0.193 0.000 2.250 645 F HA -0.135 4.387 4.527 -0.008 0.000 0.301 645 F C 1.539 176.907 175.800 -0.720 0.000 1.077 645 F CA 0.970 58.680 58.000 -0.483 0.000 1.348 645 F CB -0.202 38.356 39.000 -0.737 0.000 1.040 645 F HN 0.283 nan 8.300 nan 0.000 0.509 646 Y N -3.572 116.656 120.300 -0.122 0.000 2.444 646 Y HA 0.183 4.728 4.550 -0.008 0.000 0.252 646 Y C -0.630 174.944 175.900 -0.543 0.000 1.091 646 Y CA -0.431 57.446 58.100 -0.372 0.000 1.276 646 Y CB 0.311 38.459 38.460 -0.521 0.000 1.170 646 Y HN -0.186 nan 8.280 nan 0.000 0.517 647 Y N 0.391 120.725 120.300 0.057 0.000 2.333 647 Y HA 0.347 4.892 4.550 -0.009 0.000 0.324 647 Y C 0.519 176.413 175.900 -0.009 0.000 1.033 647 Y CA -1.616 56.502 58.100 0.029 0.000 1.224 647 Y CB 1.201 39.684 38.460 0.039 0.000 1.120 647 Y HN -0.213 nan 8.280 nan 0.000 0.457 648 K N 0.855 121.312 120.400 0.096 0.000 2.444 648 K HA 0.198 4.513 4.320 -0.008 0.000 0.193 648 K C 0.139 176.774 176.600 0.057 0.000 1.024 648 K CA 0.122 56.434 56.287 0.042 0.000 1.077 648 K CB 0.732 33.237 32.500 0.008 0.000 0.833 648 K HN 0.430 nan 8.250 nan 0.000 0.517 649 S N -0.148 115.613 115.700 0.101 0.000 2.552 649 S HA 0.172 4.637 4.470 -0.008 0.000 0.272 649 S C -0.589 174.061 174.600 0.082 0.000 1.150 649 S CA -0.597 57.647 58.200 0.075 0.000 0.849 649 S CB 1.446 64.684 63.200 0.062 0.000 1.113 649 S HN -0.066 nan 8.310 nan 0.000 0.458 650 D N 1.855 122.279 120.400 0.040 0.000 2.144 650 D HA 0.003 4.638 4.640 -0.008 0.000 0.200 650 D C 1.277 177.596 176.300 0.032 0.000 0.978 650 D CA 1.259 55.268 54.000 0.016 0.000 0.833 650 D CB 0.047 40.850 40.800 0.005 0.000 0.961 650 D HN 0.653 nan 8.370 nan 0.000 0.470 651 E N 0.288 120.515 120.200 0.044 0.000 2.478 651 E HA -0.109 4.236 4.350 -0.008 0.000 0.198 651 E C 1.584 178.229 176.600 0.075 0.000 1.046 651 E CA 0.542 56.972 56.400 0.050 0.000 0.870 651 E CB -0.047 29.678 29.700 0.041 0.000 0.818 651 E HN 0.581 nan 8.360 nan 0.000 0.527 652 E N -0.269 119.997 120.200 0.110 0.000 2.431 652 E HA 0.024 4.369 4.350 -0.008 0.000 0.200 652 E C 1.832 178.589 176.600 0.260 0.000 0.995 652 E CA -0.069 56.426 56.400 0.159 0.000 0.915 652 E CB -0.144 29.649 29.700 0.155 0.000 0.930 652 E HN 0.224 nan 8.360 nan 0.000 0.496 653 L N 0.903 122.247 121.223 0.202 0.000 2.156 653 L HA -0.079 4.256 4.340 -0.008 0.000 0.208 653 L C 2.276 179.165 176.870 0.031 0.000 1.095 653 L CA 1.351 56.185 54.840 -0.011 0.000 0.770 653 L CB 0.064 41.940 42.059 -0.305 0.000 0.914 653 L HN 0.076 nan 8.230 nan 0.000 0.439 654 Q N -0.576 119.255 119.800 0.051 0.000 2.123 654 Q HA -0.205 4.129 4.340 -0.008 0.000 0.199 654 Q C 1.758 177.813 176.000 0.092 0.000 0.966 654 Q CA 1.144 56.984 55.803 0.062 0.000 0.845 654 Q CB 0.035 28.802 28.738 0.050 0.000 0.907 654 Q HN 0.153 nan 8.270 nan 0.000 0.439 655 K N 1.066 121.531 120.400 0.109 0.000 2.555 655 K HA -0.049 4.266 4.320 -0.008 0.000 0.193 655 K C -0.413 176.269 176.600 0.138 0.000 1.032 655 K CA 0.328 56.681 56.287 0.110 0.000 1.004 655 K CB 0.102 32.664 32.500 0.102 0.000 0.804 655 K HN 0.046 nan 8.250 nan 0.000 0.496 656 D N -0.377 120.131 120.400 0.181 0.000 2.359 656 D HA 0.108 4.743 4.640 -0.008 0.000 0.230 656 D C -2.068 174.346 176.300 0.190 0.000 1.118 656 D CA -2.387 51.747 54.000 0.223 0.000 0.844 656 D CB 1.642 42.654 40.800 0.353 0.000 1.059 656 D HN -0.098 nan 8.370 nan 0.000 0.493 657 P HA -0.028 nan 4.420 nan 0.000 0.219 657 P C 0.922 178.316 177.300 0.157 0.000 1.150 657 P CA 0.795 63.978 63.100 0.138 0.000 0.814 657 P CB 0.562 32.329 31.700 0.112 0.000 0.787 658 E N -0.427 119.873 120.200 0.167 0.000 2.072 658 E HA -0.108 4.237 4.350 -0.008 0.000 0.191 658 E C 1.915 178.607 176.600 0.154 0.000 0.985 658 E CA 0.649 57.133 56.400 0.139 0.000 0.801 658 E CB -0.637 29.087 29.700 0.039 0.000 0.750 658 E HN 0.152 nan 8.360 nan 0.000 0.452 659 L N 1.206 122.529 121.223 0.167 0.000 2.056 659 L HA -0.176 4.159 4.340 -0.008 0.000 0.207 659 L C 2.093 179.196 176.870 0.389 0.000 1.078 659 L CA 1.544 56.534 54.840 0.250 0.000 0.749 659 L CB -0.350 41.862 42.059 0.255 0.000 0.901 659 L HN 0.168 nan 8.230 nan 0.000 0.433 660 Q N -0.434 119.523 119.800 0.261 0.000 2.291 660 Q HA -0.060 4.275 4.340 -0.008 0.000 0.205 660 Q C 2.031 178.137 176.000 0.177 0.000 0.970 660 Q CA 1.291 57.227 55.803 0.222 0.000 0.876 660 Q CB -0.145 28.681 28.738 0.147 0.000 0.935 660 Q HN 0.590 nan 8.270 nan 0.000 0.455 661 A N -0.644 122.264 122.820 0.148 0.000 2.030 661 A HA -0.074 4.241 4.320 -0.008 0.000 0.215 661 A C 1.756 179.293 177.584 -0.079 0.000 1.164 661 A CA 0.350 52.361 52.037 -0.044 0.000 0.697 661 A CB -0.623 18.346 19.000 -0.051 0.000 0.827 661 A HN 0.486 nan 8.150 nan 0.000 0.457 662 W N -0.435 120.874 121.300 0.016 0.000 2.354 662 W HA -0.167 4.488 4.660 -0.009 0.000 0.315 662 W C 2.104 178.715 176.519 0.154 0.000 1.206 662 W CA 1.736 59.159 57.345 0.130 0.000 1.290 662 W CB -0.525 29.071 29.460 0.227 0.000 1.152 662 W HN 0.444 nan 8.180 nan 0.000 0.489 663 W N 1.730 123.031 121.300 0.002 0.000 2.467 663 W HA -0.134 4.520 4.660 -0.009 0.000 0.275 663 W C 2.236 178.570 176.519 -0.308 0.000 1.239 663 W CA 1.511 58.637 57.345 -0.366 0.000 1.266 663 W CB -0.242 29.130 29.460 -0.146 0.000 1.112 663 W HN -0.055 nan 8.180 nan 0.000 0.576 664 K N 0.857 121.207 120.400 -0.084 0.000 2.057 664 K HA -0.245 4.070 4.320 -0.008 0.000 0.206 664 K C 1.947 178.359 176.600 -0.315 0.000 1.050 664 K CA 1.720 57.892 56.287 -0.192 0.000 0.935 664 K CB -0.384 32.048 32.500 -0.112 0.000 0.715 664 K HN 0.089 nan 8.250 nan 0.000 0.439 665 E N 0.560 120.577 120.200 -0.304 0.000 2.158 665 E HA -0.137 4.208 4.350 -0.008 0.000 0.191 665 E C 2.062 178.420 176.600 -0.403 0.000 0.982 665 E CA 0.163 56.398 56.400 -0.277 0.000 0.823 665 E CB 0.082 29.702 29.700 -0.134 0.000 0.766 665 E HN 0.223 nan 8.360 nan 0.000 0.468 666 L N 1.524 122.427 121.223 -0.533 0.000 1.989 666 L HA -0.139 4.196 4.340 -0.008 0.000 0.211 666 L C 2.545 178.849 176.870 -0.942 0.000 1.071 666 L CA 2.140 56.518 54.840 -0.770 0.000 0.749 666 L CB -0.993 40.402 42.059 -1.106 0.000 0.890 666 L HN 0.274 nan 8.230 nan 0.000 0.431 667 V N -3.339 115.875 119.914 -1.167 0.000 2.871 667 V HA -0.091 4.024 4.120 -0.008 0.000 0.256 667 V C 1.994 177.584 176.094 -0.840 0.000 1.082 667 V CA 1.274 62.749 62.300 -1.375 0.000 1.105 667 V CB -0.508 30.299 31.823 -1.693 0.000 0.713 667 V HN 0.463 nan 8.190 nan 0.000 0.473 668 E N -0.169 119.670 120.200 -0.602 0.000 2.307 668 E HA 0.135 4.480 4.350 -0.008 0.000 0.195 668 E C 1.908 178.293 176.600 -0.359 0.000 0.975 668 E CA 0.828 56.985 56.400 -0.405 0.000 0.878 668 E CB 0.985 30.500 29.700 -0.309 0.000 0.845 668 E HN 0.562 nan 8.360 nan 0.000 0.488 669 V N -0.594 119.044 119.914 -0.461 0.000 2.948 669 V HA 0.094 4.209 4.120 -0.008 0.000 0.234 669 V C 2.136 177.794 176.094 -0.726 0.000 1.205 669 V CA 1.096 63.074 62.300 -0.536 0.000 1.234 669 V CB -0.183 31.276 31.823 -0.606 0.000 1.020 669 V HN 0.299 nan 8.190 nan 0.000 0.491 670 G N -0.276 107.987 108.800 -0.895 0.000 2.476 670 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.218 670 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.218 670 G C 1.078 175.590 174.900 -0.647 0.000 1.164 670 G CA 1.192 45.785 45.100 -0.846 0.000 0.768 670 G HN 0.581 nan 8.290 nan 0.000 0.560 671 H N -0.256 118.536 119.070 -0.463 0.000 2.562 671 H HA 0.245 4.796 4.556 -0.008 0.000 0.249 671 H C 2.045 177.288 175.328 -0.142 0.000 1.195 671 H CA 0.216 56.142 56.048 -0.204 0.000 0.938 671 H CB 0.460 30.180 29.762 -0.070 0.000 1.891 671 H HN 0.313 nan 8.280 nan 0.000 0.595 672 G N 0.150 108.851 108.800 -0.165 0.000 2.498 672 G HA2 -0.205 3.750 3.960 -0.008 0.000 0.219 672 G HA3 -0.205 3.750 3.960 -0.008 0.000 0.219 672 G C 1.115 176.010 174.900 -0.009 0.000 1.119 672 G CA 0.319 45.332 45.100 -0.146 0.000 0.766 672 G HN 0.269 nan 8.290 nan 0.000 0.552 673 D N 0.022 120.484 120.400 0.103 0.000 2.371 673 D HA 0.041 4.676 4.640 -0.008 0.000 0.221 673 D C 1.738 178.162 176.300 0.208 0.000 0.986 673 D CA 0.469 54.575 54.000 0.176 0.000 0.899 673 D CB 0.276 41.242 40.800 0.276 0.000 0.902 673 D HN 0.350 nan 8.370 nan 0.000 0.530 674 L N 0.288 121.658 121.223 0.243 0.000 3.229 674 L HA 0.169 4.504 4.340 -0.008 0.000 0.286 674 L C 1.801 178.815 176.870 0.240 0.000 1.239 674 L CA -0.170 54.832 54.840 0.271 0.000 1.035 674 L CB 0.469 42.797 42.059 0.449 0.000 1.408 674 L HN -0.100 nan 8.230 nan 0.000 0.593 675 K N -0.929 119.504 120.400 0.055 0.000 2.360 675 K HA -0.110 4.205 4.320 -0.008 0.000 0.201 675 K C 0.561 177.110 176.600 -0.085 0.000 1.046 675 K CA 1.236 57.444 56.287 -0.131 0.000 0.945 675 K CB 0.157 32.540 32.500 -0.194 0.000 0.750 675 K HN 0.216 nan 8.250 nan 0.000 0.464 676 D N 0.786 121.177 120.400 -0.014 0.000 2.402 676 D HA 0.085 4.720 4.640 -0.008 0.000 0.216 676 D C -0.378 175.901 176.300 -0.035 0.000 1.128 676 D CA -0.033 53.956 54.000 -0.019 0.000 0.833 676 D CB 0.529 41.322 40.800 -0.011 0.000 0.971 676 D HN 0.065 nan 8.370 nan 0.000 0.503 677 K N 1.183 121.531 120.400 -0.087 0.000 2.295 677 K HA 0.119 4.434 4.320 -0.008 0.000 0.270 677 K C -1.606 174.727 176.600 -0.446 0.000 1.011 677 K CA -1.354 54.731 56.287 -0.336 0.000 0.953 677 K CB 0.989 33.029 32.500 -0.766 0.000 0.956 677 K HN -0.068 nan 8.250 nan 0.000 0.477 678 P HA -0.014 nan 4.420 nan 0.000 0.231 678 P C 0.801 178.066 177.300 -0.058 0.000 1.168 678 P CA 0.699 63.730 63.100 -0.115 0.000 0.779 678 P CB 0.071 31.779 31.700 0.013 0.000 0.844 679 W N -2.443 118.827 121.300 -0.051 0.000 3.003 679 W HA 0.175 4.830 4.660 -0.009 0.000 0.257 679 W C -0.218 176.285 176.519 -0.027 0.000 1.308 679 W CA -0.821 56.466 57.345 -0.097 0.000 1.529 679 W CB -1.494 27.827 29.460 -0.232 0.000 1.115 679 W HN -0.150 nan 8.180 nan 0.000 0.659 680 W N 4.047 125.332 121.300 -0.026 0.000 2.347 680 W HA 0.111 4.766 4.660 -0.007 0.000 0.333 680 W C 0.579 177.260 176.519 0.269 0.000 1.383 680 W CA -0.055 57.380 57.345 0.150 0.000 1.283 680 W CB 0.354 29.752 29.460 -0.103 0.000 1.253 680 W HN -0.201 nan 8.180 nan 0.000 0.563 681 Q N 2.503 122.735 119.800 0.720 0.000 2.286 681 Q HA -0.053 4.282 4.340 -0.008 0.000 0.290 681 Q C 1.007 177.289 176.000 0.470 0.000 1.049 681 Q CA 0.580 56.661 55.803 0.464 0.000 0.923 681 Q CB 0.521 29.460 28.738 0.335 0.000 1.183 681 Q HN 0.391 nan 8.270 nan 0.000 0.383 682 K N 2.373 122.923 120.400 0.250 0.000 2.410 682 K HA 0.075 4.390 4.320 -0.008 0.000 0.200 682 K C -0.189 176.481 176.600 0.115 0.000 1.023 682 K CA -0.120 56.303 56.287 0.226 0.000 1.149 682 K CB 0.246 32.837 32.500 0.152 0.000 0.859 682 K HN 0.688 nan 8.250 nan 0.000 0.514 683 M N 0.876 120.446 119.600 -0.049 0.000 2.436 683 M HA -0.240 4.235 4.480 -0.008 0.000 0.197 683 M C -0.068 176.207 176.300 -0.041 0.000 0.442 683 M CA 0.691 55.909 55.300 -0.137 0.000 0.473 683 M CB -0.688 31.789 32.600 -0.206 0.000 1.685 683 M HN 0.158 nan 8.290 nan 0.000 0.835 684 Q N -1.244 118.549 119.800 -0.012 0.000 2.360 684 Q HA 0.286 4.621 4.340 -0.008 0.000 0.202 684 Q C 0.088 176.075 176.000 -0.022 0.000 0.915 684 Q CA 0.656 56.459 55.803 -0.000 0.000 0.943 684 Q CB 0.721 29.472 28.738 0.022 0.000 1.064 684 Q HN 0.597 nan 8.270 nan 0.000 0.511 685 T N -0.858 113.666 114.554 -0.050 0.000 2.933 685 T HA 0.335 4.680 4.350 -0.008 0.000 0.305 685 T C 0.662 175.307 174.700 -0.092 0.000 1.092 685 T CA -0.609 61.459 62.100 -0.052 0.000 1.008 685 T CB 2.094 70.947 68.868 -0.025 0.000 1.102 685 T HN -0.073 nan 8.240 nan 0.000 0.469 686 R N 0.742 121.191 120.500 -0.084 0.000 2.120 686 R HA -0.072 4.263 4.340 -0.008 0.000 0.234 686 R C 1.943 178.199 176.300 -0.075 0.000 1.123 686 R CA 1.154 57.196 56.100 -0.098 0.000 0.975 686 R CB 0.082 30.352 30.300 -0.050 0.000 0.866 686 R HN 0.462 nan 8.270 nan 0.000 0.446 687 E N 0.519 120.688 120.200 -0.051 0.000 2.216 687 E HA -0.110 4.235 4.350 -0.008 0.000 0.192 687 E C 1.278 177.852 176.600 -0.042 0.000 0.988 687 E CA 1.073 57.449 56.400 -0.041 0.000 0.834 687 E CB 0.188 29.874 29.700 -0.024 0.000 0.772 687 E HN 0.281 nan 8.360 nan 0.000 0.479 688 E N -0.027 120.141 120.200 -0.052 0.000 2.077 688 E HA -0.144 4.201 4.350 -0.008 0.000 0.193 688 E C 2.059 178.589 176.600 -0.117 0.000 0.989 688 E CA 0.861 57.224 56.400 -0.063 0.000 0.800 688 E CB -0.125 29.532 29.700 -0.073 0.000 0.746 688 E HN 0.273 nan 8.360 nan 0.000 0.452 689 L N 0.547 121.688 121.223 -0.138 0.000 2.083 689 L HA -0.174 4.161 4.340 -0.008 0.000 0.209 689 L C 2.277 179.109 176.870 -0.064 0.000 1.083 689 L CA 0.811 55.574 54.840 -0.129 0.000 0.752 689 L CB -0.001 41.967 42.059 -0.152 0.000 0.899 689 L HN 0.075 nan 8.230 nan 0.000 0.433 690 V N -0.652 119.223 119.914 -0.064 0.000 2.453 690 V HA -0.226 3.889 4.120 -0.008 0.000 0.247 690 V C 2.413 178.474 176.094 -0.057 0.000 1.048 690 V CA 1.580 63.840 62.300 -0.066 0.000 1.049 690 V CB -0.354 31.424 31.823 -0.076 0.000 0.672 690 V HN 0.430 nan 8.190 nan 0.000 0.457 691 E N -0.035 120.150 120.200 -0.025 0.000 2.112 691 E HA -0.093 4.252 4.350 -0.008 0.000 0.190 691 E C 2.345 178.976 176.600 0.051 0.000 0.979 691 E CA 1.126 57.535 56.400 0.014 0.000 0.814 691 E CB -0.078 29.644 29.700 0.037 0.000 0.762 691 E HN 0.538 nan 8.360 nan 0.000 0.460 692 A N 0.848 123.715 122.820 0.078 0.000 1.908 692 A HA -0.170 4.145 4.320 -0.008 0.000 0.218 692 A C 2.398 180.166 177.584 0.308 0.000 1.181 692 A CA 1.851 54.043 52.037 0.258 0.000 0.627 692 A CB -0.385 18.597 19.000 -0.030 0.000 0.818 692 A HN 0.158 nan 8.150 nan 0.000 0.445 693 S N -0.208 115.593 115.700 0.168 0.000 2.371 693 S HA 0.063 4.528 4.470 -0.008 0.000 0.224 693 S C 2.277 176.910 174.600 0.054 0.000 1.029 693 S CA 1.032 59.316 58.200 0.140 0.000 0.978 693 S CB -0.396 62.823 63.200 0.032 0.000 0.833 693 S HN 0.787 nan 8.310 nan 0.000 0.466 694 A N 1.502 124.312 122.820 -0.017 0.000 1.929 694 A HA -0.040 4.275 4.320 -0.008 0.000 0.216 694 A C 2.281 179.946 177.584 0.135 0.000 1.176 694 A CA 1.731 53.711 52.037 -0.096 0.000 0.628 694 A CB -1.231 17.561 19.000 -0.347 0.000 0.816 694 A HN 0.458 nan 8.150 nan 0.000 0.444 695 T N 0.507 115.189 114.554 0.214 0.000 2.652 695 T HA -0.178 4.167 4.350 -0.008 0.000 0.267 695 T C 1.853 176.733 174.700 0.299 0.000 1.039 695 T CA 1.632 63.883 62.100 0.251 0.000 1.153 695 T CB -0.468 68.228 68.868 -0.287 0.000 0.863 695 T HN 0.330 nan 8.240 nan 0.000 0.428 696 L N 1.345 122.722 121.223 0.256 0.000 1.989 696 L HA -0.011 4.323 4.340 -0.008 0.000 0.211 696 L C 2.216 179.150 176.870 0.107 0.000 1.071 696 L CA 1.586 56.533 54.840 0.178 0.000 0.749 696 L CB -0.920 41.171 42.059 0.053 0.000 0.890 696 L HN 0.300 nan 8.230 nan 0.000 0.431 697 I N -1.505 119.075 120.570 0.018 0.000 2.208 697 I HA -0.350 3.815 4.170 -0.008 0.000 0.245 697 I C 2.448 178.547 176.117 -0.029 0.000 1.097 697 I CA 1.748 62.926 61.300 -0.202 0.000 1.363 697 I CB -0.708 37.067 38.000 -0.375 0.000 1.051 697 I HN 0.607 nan 8.210 nan 0.000 0.413 698 W N 2.473 123.807 121.300 0.057 0.000 2.333 698 W HA -0.251 4.404 4.660 -0.008 0.000 0.316 698 W C 2.320 178.939 176.519 0.167 0.000 1.215 698 W CA 1.808 59.261 57.345 0.180 0.000 1.278 698 W CB -0.395 29.288 29.460 0.372 0.000 1.154 698 W HN 0.059 nan 8.180 nan 0.000 0.486 699 I N 1.541 122.154 120.570 0.071 0.000 2.099 699 I HA -0.339 3.826 4.170 -0.008 0.000 0.239 699 I C 2.859 178.978 176.117 0.004 0.000 1.066 699 I CA 2.106 63.435 61.300 0.050 0.000 1.324 699 I CB -1.306 36.852 38.000 0.263 0.000 1.037 699 I HN -0.018 nan 8.210 nan 0.000 0.401 700 A N 0.648 123.488 122.820 0.034 0.000 1.917 700 A HA -0.258 4.057 4.320 -0.008 0.000 0.219 700 A C 2.445 180.024 177.584 -0.008 0.000 1.182 700 A CA 2.840 54.884 52.037 0.012 0.000 0.633 700 A CB -0.823 18.211 19.000 0.057 0.000 0.819 700 A HN 0.589 nan 8.150 nan 0.000 0.448 701 S N -0.982 114.690 115.700 -0.047 0.000 2.346 701 S HA 0.404 4.869 4.470 -0.008 0.000 0.204 701 S C 2.169 176.730 174.600 -0.065 0.000 1.008 701 S CA 0.896 59.088 58.200 -0.013 0.000 0.925 701 S CB -0.772 62.431 63.200 0.004 0.000 0.903 701 S HN 0.868 nan 8.310 nan 0.000 0.537 702 A N 1.217 123.862 122.820 -0.292 0.000 1.935 702 A HA 0.386 4.701 4.320 -0.008 0.000 0.214 702 A C 2.266 179.534 177.584 -0.526 0.000 1.178 702 A CA 0.629 52.404 52.037 -0.437 0.000 0.640 702 A CB -0.847 17.756 19.000 -0.661 0.000 0.825 702 A HN 0.494 nan 8.150 nan 0.000 0.447 703 L N -0.802 119.923 121.223 -0.830 0.000 1.976 703 L HA -0.214 4.121 4.340 -0.008 0.000 0.209 703 L C 2.700 179.514 176.870 -0.093 0.000 1.071 703 L CA 2.275 56.894 54.840 -0.370 0.000 0.746 703 L CB -0.682 41.218 42.059 -0.265 0.000 0.890 703 L HN 0.680 nan 8.230 nan 0.000 0.432 704 H N -0.026 118.972 119.070 -0.120 0.000 2.390 704 H HA -0.200 4.351 4.556 -0.008 0.000 0.298 704 H C 1.889 177.228 175.328 0.018 0.000 1.106 704 H CA 1.784 57.805 56.048 -0.044 0.000 1.297 704 H CB 0.283 30.040 29.762 -0.009 0.000 1.375 704 H HN 0.469 nan 8.280 nan 0.000 0.509 705 A N 1.043 123.940 122.820 0.129 0.000 1.930 705 A HA 0.021 4.336 4.320 -0.008 0.000 0.217 705 A C 2.759 180.456 177.584 0.187 0.000 1.175 705 A CA 1.485 53.718 52.037 0.326 0.000 0.627 705 A CB -0.958 18.187 19.000 0.243 0.000 0.815 705 A HN 0.573 nan 8.150 nan 0.000 0.443 706 A N -0.006 122.863 122.820 0.082 0.000 1.908 706 A HA -0.056 4.259 4.320 -0.008 0.000 0.218 706 A C 2.200 179.805 177.584 0.034 0.000 1.181 706 A CA 2.319 54.422 52.037 0.110 0.000 0.627 706 A CB -1.102 18.037 19.000 0.232 0.000 0.818 706 A HN 1.163 nan 8.150 nan 0.000 0.445 707 V N -2.599 117.279 119.914 -0.059 0.000 3.406 707 V HA 0.088 4.203 4.120 -0.008 0.000 0.263 707 V C 1.444 177.471 176.094 -0.111 0.000 1.172 707 V CA 1.962 64.242 62.300 -0.033 0.000 1.140 707 V CB -0.853 30.948 31.823 -0.036 0.000 0.784 707 V HN 0.566 nan 8.190 nan 0.000 0.467 708 N N -0.538 117.936 118.700 -0.377 0.000 2.510 708 N HA 0.212 4.947 4.740 -0.008 0.000 0.186 708 N C 1.179 176.369 175.510 -0.533 0.000 1.051 708 N CA 0.286 52.969 53.050 -0.612 0.000 0.877 708 N CB 0.076 37.868 38.487 -1.159 0.000 1.183 708 N HN 0.362 nan 8.380 nan 0.000 0.443 709 F N -0.090 119.813 119.950 -0.077 0.000 2.811 709 F HA 0.370 4.892 4.527 -0.009 0.000 0.301 709 F C 1.687 177.541 175.800 0.090 0.000 1.151 709 F CA 0.271 58.255 58.000 -0.027 0.000 1.412 709 F CB 0.494 39.463 39.000 -0.052 0.000 1.113 709 F HN 0.099 nan 8.300 nan 0.000 0.579 710 G N -0.915 108.023 108.800 0.231 0.000 3.936 710 G HA2 0.137 4.092 3.960 -0.008 0.000 0.296 710 G HA3 0.137 4.092 3.960 -0.008 0.000 0.296 710 G C 0.971 176.027 174.900 0.260 0.000 1.121 710 G CA -0.134 45.194 45.100 0.381 0.000 0.899 710 G HN 0.227 nan 8.290 nan 0.000 0.542 711 Q N -0.724 119.164 119.800 0.148 0.000 2.159 711 Q HA 0.033 4.368 4.340 -0.008 0.000 0.194 711 Q C 1.651 177.741 176.000 0.149 0.000 0.968 711 Q CA 0.431 56.319 55.803 0.141 0.000 0.837 711 Q CB 0.030 28.853 28.738 0.141 0.000 0.920 711 Q HN 0.488 nan 8.270 nan 0.000 0.485 712 Y N 1.400 121.726 120.300 0.044 0.000 2.373 712 Y HA -0.054 4.491 4.550 -0.008 0.000 0.293 712 Y C -1.105 174.761 175.900 -0.057 0.000 1.129 712 Y CA 0.732 58.848 58.100 0.026 0.000 1.226 712 Y CB -0.560 37.923 38.460 0.039 0.000 1.000 712 Y HN 0.145 nan 8.280 nan 0.000 0.549 713 P HA -0.154 nan 4.420 nan 0.000 0.216 713 P C 0.814 177.769 177.300 -0.574 0.000 1.153 713 P CA 1.815 64.644 63.100 -0.451 0.000 0.848 713 P CB -0.065 31.294 31.700 -0.569 0.000 0.787 714 Y N -1.113 119.063 120.300 -0.207 0.000 2.239 714 Y HA 0.239 4.784 4.550 -0.009 0.000 0.293 714 Y C 2.538 178.325 175.900 -0.189 0.000 1.126 714 Y CA 1.365 59.359 58.100 -0.176 0.000 1.128 714 Y CB -1.303 37.105 38.460 -0.086 0.000 1.066 714 Y HN -0.149 nan 8.280 nan 0.000 0.516 715 G N -0.923 107.884 108.800 0.012 0.000 3.233 715 G HA2 0.159 4.114 3.960 -0.008 0.000 0.227 715 G HA3 0.159 4.114 3.960 -0.008 0.000 0.227 715 G C 1.488 176.320 174.900 -0.112 0.000 1.175 715 G CA 0.456 45.539 45.100 -0.029 0.000 0.781 715 G HN 0.464 nan 8.290 nan 0.000 0.542 716 G N -0.049 108.555 108.800 -0.327 0.000 3.124 716 G HA2 0.316 4.271 3.960 -0.008 0.000 0.212 716 G HA3 0.316 4.271 3.960 -0.008 0.000 0.212 716 G C -0.066 174.643 174.900 -0.319 0.000 1.181 716 G CA -0.001 44.763 45.100 -0.561 0.000 0.803 716 G HN 0.362 nan 8.290 nan 0.000 0.529 717 L N 1.464 122.528 121.223 -0.265 0.000 2.504 717 L HA 0.358 4.693 4.340 -0.008 0.000 0.265 717 L C 1.115 177.812 176.870 -0.288 0.000 0.975 717 L CA -0.941 53.747 54.840 -0.253 0.000 0.864 717 L CB 0.980 42.790 42.059 -0.414 0.000 1.212 717 L HN 0.050 nan 8.230 nan 0.000 0.416 718 I N 1.905 122.322 120.570 -0.255 0.000 2.567 718 I HA -0.145 4.020 4.170 -0.008 0.000 0.257 718 I C 1.398 177.311 176.117 -0.340 0.000 1.184 718 I CA 1.126 62.276 61.300 -0.249 0.000 1.451 718 I CB -0.996 36.883 38.000 -0.202 0.000 1.089 718 I HN 0.535 nan 8.210 nan 0.000 0.441 719 L N 1.907 122.796 121.223 -0.557 0.000 2.017 719 L HA -0.159 4.176 4.340 -0.008 0.000 0.208 719 L C 2.507 178.971 176.870 -0.676 0.000 1.073 719 L CA 1.881 56.221 54.840 -0.833 0.000 0.745 719 L CB -1.932 39.167 42.059 -1.600 0.000 0.894 719 L HN 0.365 nan 8.230 nan 0.000 0.432 720 N N -0.315 118.014 118.700 -0.618 0.000 2.171 720 N HA -0.094 4.641 4.740 -0.008 0.000 0.184 720 N C 0.421 175.902 175.510 -0.048 0.000 1.021 720 N CA 1.052 53.999 53.050 -0.172 0.000 0.854 720 N CB 0.286 38.706 38.487 -0.111 0.000 0.994 720 N HN 0.068 nan 8.380 nan 0.000 0.426 721 R N 0.603 121.045 120.500 -0.097 0.000 2.547 721 R HA 0.321 4.656 4.340 -0.008 0.000 0.280 721 R C -2.637 173.637 176.300 -0.044 0.000 1.630 721 R CA -1.448 54.639 56.100 -0.022 0.000 1.470 721 R CB 1.803 32.105 30.300 0.003 0.000 1.178 721 R HN 0.281 nan 8.270 nan 0.000 0.591 722 P HA 0.073 nan 4.420 nan 0.000 0.280 722 P C 0.658 177.930 177.300 -0.046 0.000 1.244 722 P CA -0.005 63.038 63.100 -0.096 0.000 0.784 722 P CB 1.483 33.103 31.700 -0.132 0.000 0.913 723 T N 0.561 115.037 114.554 -0.129 0.000 3.042 723 T HA 0.238 4.583 4.350 -0.008 0.000 0.245 723 T C 0.821 175.450 174.700 -0.118 0.000 1.029 723 T CA 0.346 62.343 62.100 -0.172 0.000 1.120 723 T CB -0.147 68.354 68.868 -0.611 0.000 0.917 723 T HN 0.294 nan 8.240 nan 0.000 0.467 724 I N 2.014 122.506 120.570 -0.131 0.000 2.689 724 I HA 0.505 4.670 4.170 -0.008 0.000 0.299 724 I C -0.766 175.321 176.117 -0.050 0.000 1.059 724 I CA -1.235 60.021 61.300 -0.073 0.000 1.055 724 I CB 2.593 40.525 38.000 -0.114 0.000 1.243 724 I HN 0.207 nan 8.210 nan 0.000 0.425 725 S N 4.439 120.147 115.700 0.014 0.000 2.498 725 S HA 0.542 5.007 4.470 -0.008 0.000 0.317 725 S C 0.183 174.768 174.600 -0.024 0.000 1.090 725 S CA -0.864 57.368 58.200 0.053 0.000 1.089 725 S CB 1.857 65.241 63.200 0.307 0.000 0.997 725 S HN 0.686 nan 8.310 nan 0.000 0.470 726 R N 1.324 121.791 120.500 -0.055 0.000 2.206 726 R HA 0.268 4.603 4.340 -0.008 0.000 0.198 726 R C 0.488 176.699 176.300 -0.147 0.000 0.986 726 R CA 0.243 56.278 56.100 -0.108 0.000 1.029 726 R CB 0.260 30.504 30.300 -0.092 0.000 0.966 726 R HN 0.517 nan 8.270 nan 0.000 0.487 727 R N 0.058 120.514 120.500 -0.073 0.000 2.892 727 R HA 0.355 4.690 4.340 -0.008 0.000 0.265 727 R C -0.720 175.585 176.300 0.008 0.000 1.025 727 R CA -0.742 55.324 56.100 -0.057 0.000 0.982 727 R CB 1.094 31.440 30.300 0.077 0.000 1.185 727 R HN -0.171 nan 8.270 nan 0.000 0.484 728 F N 0.455 120.449 119.950 0.073 0.000 2.251 728 F HA 0.351 4.872 4.527 -0.008 0.000 0.302 728 F C 0.918 176.888 175.800 0.284 0.000 1.143 728 F CA -0.901 57.133 58.000 0.056 0.000 1.104 728 F CB 0.239 39.231 39.000 -0.012 0.000 1.516 728 F HN 0.214 nan 8.300 nan 0.000 0.511 729 M N 2.250 122.203 119.600 0.588 0.000 2.200 729 M HA 0.305 4.780 4.480 -0.008 0.000 0.355 729 M C -2.472 174.041 176.300 0.356 0.000 1.283 729 M CA -2.256 53.322 55.300 0.463 0.000 1.124 729 M CB 0.177 33.001 32.600 0.373 0.000 1.625 729 M HN 0.054 nan 8.290 nan 0.000 0.463 730 P HA -0.009 nan 4.420 nan 0.000 0.261 730 P C -0.318 177.221 177.300 0.399 0.000 1.183 730 P CA 0.190 63.467 63.100 0.294 0.000 0.761 730 P CB 0.483 32.294 31.700 0.185 0.000 0.785 731 E N 3.907 124.341 120.200 0.390 0.000 2.033 731 E HA 0.001 4.346 4.350 -0.008 0.000 0.194 731 E C 0.141 176.945 176.600 0.339 0.000 0.960 731 E CA 1.097 57.699 56.400 0.337 0.000 0.842 731 E CB -0.061 29.753 29.700 0.190 0.000 0.816 731 E HN 0.537 nan 8.360 nan 0.000 0.468 732 K N -1.198 119.240 120.400 0.063 0.000 2.762 732 K HA 0.504 4.819 4.320 -0.008 0.000 0.272 732 K C 0.076 176.436 176.600 -0.399 0.000 1.093 732 K CA 0.006 56.127 56.287 -0.276 0.000 1.048 732 K CB 0.991 33.431 32.500 -0.099 0.000 1.304 732 K HN 0.281 nan 8.250 nan 0.000 0.511 733 G N 1.736 110.021 108.800 -0.858 0.000 2.273 733 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.280 733 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.280 733 G C -0.203 174.622 174.900 -0.124 0.000 1.047 733 G CA 0.396 45.239 45.100 -0.428 0.000 0.869 733 G HN 0.595 nan 8.290 nan 0.000 0.502 734 S N 0.826 116.527 115.700 0.002 0.000 2.603 734 S HA 0.476 4.941 4.470 -0.008 0.000 0.268 734 S C -0.289 174.397 174.600 0.143 0.000 1.317 734 S CA -0.548 57.722 58.200 0.117 0.000 1.012 734 S CB 1.603 64.929 63.200 0.210 0.000 0.926 734 S HN 0.252 nan 8.310 nan 0.000 0.539 735 P HA -0.094 nan 4.420 nan 0.000 0.222 735 P C 0.503 177.874 177.300 0.118 0.000 1.147 735 P CA 1.086 64.245 63.100 0.099 0.000 0.790 735 P CB 0.218 31.961 31.700 0.072 0.000 0.780 736 E N -0.757 119.531 120.200 0.148 0.000 2.016 736 E HA -0.157 4.188 4.350 -0.008 0.000 0.190 736 E C 2.121 178.829 176.600 0.180 0.000 0.985 736 E CA 0.938 57.429 56.400 0.151 0.000 0.802 736 E CB -1.345 28.458 29.700 0.173 0.000 0.762 736 E HN 0.168 nan 8.360 nan 0.000 0.448 737 Y N 1.963 122.318 120.300 0.091 0.000 2.207 737 Y HA -0.229 4.316 4.550 -0.008 0.000 0.287 737 Y C 1.352 177.289 175.900 0.063 0.000 1.156 737 Y CA 1.717 59.871 58.100 0.091 0.000 1.182 737 Y CB -0.021 38.495 38.460 0.093 0.000 0.979 737 Y HN 0.035 nan 8.280 nan 0.000 0.521 738 D N -0.760 119.825 120.400 0.308 0.000 2.317 738 D HA -0.000 4.635 4.640 -0.008 0.000 0.211 738 D C 2.117 178.478 176.300 0.102 0.000 0.966 738 D CA 0.984 55.102 54.000 0.196 0.000 0.876 738 D CB -0.218 40.660 40.800 0.129 0.000 0.927 738 D HN 0.449 nan 8.370 nan 0.000 0.519 739 A N 0.740 123.612 122.820 0.087 0.000 1.930 739 A HA -0.055 4.260 4.320 -0.008 0.000 0.215 739 A C 2.103 179.688 177.584 0.002 0.000 1.176 739 A CA 0.512 52.574 52.037 0.043 0.000 0.632 739 A CB -0.422 18.610 19.000 0.052 0.000 0.819 739 A HN 0.191 nan 8.150 nan 0.000 0.445 740 L N -0.179 121.043 121.223 -0.001 0.000 2.056 740 L HA -0.011 4.324 4.340 -0.008 0.000 0.207 740 L C 2.660 179.453 176.870 -0.129 0.000 1.078 740 L CA 2.052 56.847 54.840 -0.076 0.000 0.749 740 L CB -0.652 41.363 42.059 -0.073 0.000 0.901 740 L HN 0.324 nan 8.230 nan 0.000 0.433 741 A N -0.596 122.196 122.820 -0.046 0.000 1.902 741 A HA -0.255 4.060 4.320 -0.008 0.000 0.217 741 A C 2.393 179.950 177.584 -0.046 0.000 1.181 741 A CA 2.006 54.030 52.037 -0.021 0.000 0.623 741 A CB -0.581 18.471 19.000 0.087 0.000 0.818 741 A HN 0.499 nan 8.150 nan 0.000 0.443 742 K N 0.207 120.590 120.400 -0.028 0.000 1.964 742 K HA -0.165 4.150 4.320 -0.008 0.000 0.218 742 K C -0.201 176.350 176.600 -0.081 0.000 1.043 742 K CA 1.513 57.779 56.287 -0.035 0.000 0.966 742 K CB -0.208 32.285 32.500 -0.012 0.000 0.739 742 K HN 0.697 nan 8.250 nan 0.000 0.443 743 N N -0.229 118.411 118.700 -0.100 0.000 2.448 743 N HA 0.193 4.928 4.740 -0.008 0.000 0.279 743 N C -2.664 172.711 175.510 -0.224 0.000 1.025 743 N CA -2.169 50.786 53.050 -0.158 0.000 0.898 743 N CB 1.893 40.317 38.487 -0.104 0.000 1.303 743 N HN -0.053 nan 8.380 nan 0.000 0.495 744 P HA 0.108 nan 4.420 nan 0.000 0.234 744 P C 0.817 177.880 177.300 -0.394 0.000 1.175 744 P CA 0.612 63.333 63.100 -0.632 0.000 0.801 744 P CB 0.928 31.690 31.700 -1.564 0.000 0.891 745 E N 0.497 120.442 120.200 -0.426 0.000 2.031 745 E HA -0.227 4.118 4.350 -0.008 0.000 0.193 745 E C 1.952 178.618 176.600 0.110 0.000 0.994 745 E CA 1.295 57.446 56.400 -0.415 0.000 0.800 745 E CB -0.242 29.058 29.700 -0.667 0.000 0.752 745 E HN 0.015 nan 8.360 nan 0.000 0.447 746 K N 1.226 121.651 120.400 0.041 0.000 2.063 746 K HA -0.172 4.143 4.320 -0.008 0.000 0.208 746 K C 1.848 178.528 176.600 0.134 0.000 1.048 746 K CA 1.403 57.756 56.287 0.110 0.000 0.928 746 K CB -0.019 32.510 32.500 0.049 0.000 0.713 746 K HN 0.009 nan 8.250 nan 0.000 0.442 747 E N -0.601 119.663 120.200 0.107 0.000 2.208 747 E HA -0.139 4.206 4.350 -0.008 0.000 0.193 747 E C 1.851 178.568 176.600 0.194 0.000 0.988 747 E CA 0.588 57.062 56.400 0.123 0.000 0.828 747 E CB -0.296 29.457 29.700 0.090 0.000 0.763 747 E HN 0.310 nan 8.360 nan 0.000 0.478 748 F N 1.524 121.559 119.950 0.143 0.000 2.084 748 F HA -0.175 4.347 4.527 -0.008 0.000 0.296 748 F C 2.005 177.911 175.800 0.177 0.000 1.111 748 F CA 0.804 58.931 58.000 0.210 0.000 1.224 748 F CB -0.283 38.975 39.000 0.431 0.000 0.991 748 F HN -0.052 nan 8.300 nan 0.000 0.471 749 L N 0.803 122.139 121.223 0.188 0.000 2.079 749 L HA -0.226 4.109 4.340 -0.008 0.000 0.210 749 L C 2.225 179.098 176.870 0.004 0.000 1.081 749 L CA 1.721 56.611 54.840 0.084 0.000 0.752 749 L CB -1.278 40.942 42.059 0.269 0.000 0.896 749 L HN 0.177 nan 8.230 nan 0.000 0.433 750 K N -1.518 118.900 120.400 0.031 0.000 2.365 750 K HA -0.050 4.264 4.320 -0.008 0.000 0.199 750 K C 1.756 178.331 176.600 -0.041 0.000 1.045 750 K CA 1.340 57.628 56.287 0.002 0.000 0.962 750 K CB -0.019 32.501 32.500 0.032 0.000 0.759 750 K HN 0.420 nan 8.250 nan 0.000 0.469 751 T N 1.189 115.690 114.554 -0.089 0.000 2.939 751 T HA 0.062 4.407 4.350 -0.008 0.000 0.254 751 T C 1.359 175.962 174.700 -0.162 0.000 1.041 751 T CA 0.268 62.317 62.100 -0.085 0.000 1.142 751 T CB -0.310 68.511 68.868 -0.079 0.000 0.874 751 T HN 0.204 nan 8.240 nan 0.000 0.452 752 I N 0.485 120.867 120.570 -0.314 0.000 3.432 752 I HA 0.320 4.485 4.170 -0.008 0.000 0.291 752 I C 0.049 176.053 176.117 -0.188 0.000 1.127 752 I CA -1.022 60.103 61.300 -0.293 0.000 0.962 752 I CB -0.393 37.332 38.000 -0.459 0.000 1.550 752 I HN -0.205 nan 8.210 nan 0.000 0.736 753 T N 2.278 116.725 114.554 -0.178 0.000 2.656 753 T HA 0.109 4.454 4.350 -0.008 0.000 0.258 753 T C 0.393 175.025 174.700 -0.114 0.000 1.020 753 T CA 0.666 62.670 62.100 -0.159 0.000 1.191 753 T CB -0.812 67.946 68.868 -0.184 0.000 1.004 753 T HN 0.868 nan 8.240 nan 0.000 0.498 754 G N 2.384 111.100 108.800 -0.141 0.000 2.562 754 G HA2 0.236 4.191 3.960 -0.008 0.000 0.275 754 G HA3 0.236 4.191 3.960 -0.008 0.000 0.275 754 G C 0.957 175.712 174.900 -0.242 0.000 1.196 754 G CA -0.733 44.269 45.100 -0.162 0.000 0.908 754 G HN 0.727 nan 8.290 nan 0.000 0.524 755 K N -0.207 119.937 120.400 -0.426 0.000 2.059 755 K HA -0.186 4.129 4.320 -0.008 0.000 0.212 755 K C 2.356 178.744 176.600 -0.354 0.000 1.050 755 K CA 1.907 57.860 56.287 -0.557 0.000 0.927 755 K CB -0.121 31.970 32.500 -0.682 0.000 0.714 755 K HN 0.504 nan 8.250 nan 0.000 0.447 756 K N 0.405 120.451 120.400 -0.590 0.000 2.063 756 K HA -0.194 4.121 4.320 -0.008 0.000 0.208 756 K C 1.636 178.081 176.600 -0.258 0.000 1.048 756 K CA 1.936 57.862 56.287 -0.602 0.000 0.928 756 K CB 0.086 32.003 32.500 -0.971 0.000 0.713 756 K HN 0.113 nan 8.250 nan 0.000 0.442 757 E N -0.464 119.582 120.200 -0.257 0.000 2.285 757 E HA -0.044 4.301 4.350 -0.008 0.000 0.194 757 E C 1.742 178.244 176.600 -0.162 0.000 0.997 757 E CA 0.870 57.153 56.400 -0.195 0.000 0.845 757 E CB -0.066 29.502 29.700 -0.219 0.000 0.782 757 E HN 0.217 nan 8.360 nan 0.000 0.491 758 T N 0.771 115.248 114.554 -0.128 0.000 2.737 758 T HA -0.062 4.283 4.350 -0.008 0.000 0.265 758 T C 1.735 176.397 174.700 -0.063 0.000 1.038 758 T CA 0.838 62.897 62.100 -0.068 0.000 1.144 758 T CB -0.183 68.732 68.868 0.079 0.000 0.866 758 T HN 0.096 nan 8.240 nan 0.000 0.434 759 L N 1.063 122.267 121.223 -0.033 0.000 2.083 759 L HA -0.026 4.309 4.340 -0.008 0.000 0.209 759 L C 2.529 179.437 176.870 0.062 0.000 1.083 759 L CA 1.266 56.115 54.840 0.014 0.000 0.752 759 L CB -0.714 41.419 42.059 0.122 0.000 0.899 759 L HN 0.408 nan 8.230 nan 0.000 0.433 760 I N -2.609 117.977 120.570 0.026 0.000 2.406 760 I HA -0.177 3.988 4.170 -0.008 0.000 0.249 760 I C 2.127 178.282 176.117 0.063 0.000 1.122 760 I CA 1.521 62.847 61.300 0.044 0.000 1.431 760 I CB -0.519 37.484 38.000 0.005 0.000 1.087 760 I HN 0.133 nan 8.210 nan 0.000 0.424 761 D N 1.777 122.183 120.400 0.010 0.000 2.108 761 D HA -0.256 4.379 4.640 -0.008 0.000 0.190 761 D C 2.050 178.439 176.300 0.148 0.000 0.995 761 D CA 2.062 56.085 54.000 0.039 0.000 0.834 761 D CB -0.084 40.656 40.800 -0.100 0.000 0.967 761 D HN 0.257 nan 8.370 nan 0.000 0.446 762 L N 0.305 121.596 121.223 0.113 0.000 2.043 762 L HA -0.161 4.173 4.340 -0.008 0.000 0.212 762 L C 2.654 179.766 176.870 0.404 0.000 1.075 762 L CA 1.955 56.923 54.840 0.213 0.000 0.752 762 L CB -1.048 40.934 42.059 -0.127 0.000 0.891 762 L HN 0.203 nan 8.230 nan 0.000 0.432 763 T N -0.838 113.973 114.554 0.429 0.000 2.777 763 T HA -0.101 4.244 4.350 -0.008 0.000 0.266 763 T C 1.956 176.884 174.700 0.379 0.000 1.040 763 T CA 0.973 63.381 62.100 0.514 0.000 1.141 763 T CB -0.101 68.901 68.868 0.224 0.000 0.868 763 T HN 0.051 nan 8.240 nan 0.000 0.444 764 I N 2.255 122.973 120.570 0.246 0.000 2.072 764 I HA -0.111 4.054 4.170 -0.008 0.000 0.235 764 I C 2.561 178.797 176.117 0.197 0.000 1.058 764 I CA 1.495 62.911 61.300 0.194 0.000 1.320 764 I CB -1.252 36.847 38.000 0.165 0.000 1.047 764 I HN 0.344 nan 8.210 nan 0.000 0.397 765 I N -1.152 119.557 120.570 0.232 0.000 2.850 765 I HA -0.211 3.954 4.170 -0.008 0.000 0.266 765 I C 2.244 178.486 176.117 0.209 0.000 1.257 765 I CA 1.379 62.818 61.300 0.232 0.000 1.465 765 I CB -0.517 37.662 38.000 0.299 0.000 1.091 765 I HN 0.333 nan 8.210 nan 0.000 0.467 766 E N 2.048 122.324 120.200 0.128 0.000 2.033 766 E HA -0.138 4.207 4.350 -0.008 0.000 0.189 766 E C 2.280 178.811 176.600 -0.115 0.000 0.979 766 E CA 1.171 57.456 56.400 -0.192 0.000 0.802 766 E CB -0.063 29.356 29.700 -0.469 0.000 0.763 766 E HN 0.607 nan 8.360 nan 0.000 0.449 767 I N 0.861 121.426 120.570 -0.008 0.000 2.163 767 I HA -0.277 3.888 4.170 -0.008 0.000 0.243 767 I C 2.423 178.559 176.117 0.032 0.000 1.085 767 I CA 0.667 61.981 61.300 0.025 0.000 1.347 767 I CB -0.184 37.894 38.000 0.129 0.000 1.044 767 I HN 0.231 nan 8.210 nan 0.000 0.408 768 L N 0.125 121.379 121.223 0.052 0.000 2.349 768 L HA -0.175 4.160 4.340 -0.008 0.000 0.220 768 L C 2.167 178.972 176.870 -0.109 0.000 1.130 768 L CA 1.641 56.492 54.840 0.018 0.000 0.791 768 L CB -0.433 41.661 42.059 0.060 0.000 0.918 768 L HN 0.095 nan 8.230 nan 0.000 0.444 769 S N -1.652 114.012 115.700 -0.059 0.000 2.540 769 S HA 0.204 4.669 4.470 -0.008 0.000 0.218 769 S C 0.770 175.407 174.600 0.061 0.000 0.977 769 S CA -0.342 57.821 58.200 -0.063 0.000 0.918 769 S CB 0.114 63.358 63.200 0.075 0.000 0.806 769 S HN 0.238 nan 8.310 nan 0.000 0.496 770 R N 1.893 122.414 120.500 0.035 0.000 2.490 770 R HA 0.268 4.603 4.340 -0.008 0.000 0.278 770 R C -0.654 175.694 176.300 0.080 0.000 1.069 770 R CA -0.102 56.024 56.100 0.043 0.000 1.080 770 R CB 0.353 30.658 30.300 0.008 0.000 1.030 770 R HN 0.304 nan 8.270 nan 0.000 0.491 771 H N 0.526 119.702 119.070 0.176 0.000 2.504 771 H HA 0.269 4.820 4.556 -0.009 0.000 0.322 771 H C -0.170 175.184 175.328 0.044 0.000 1.055 771 H CA -0.531 55.582 56.048 0.108 0.000 1.231 771 H CB 1.776 31.584 29.762 0.077 0.000 1.417 771 H HN 0.661 nan 8.280 nan 0.000 0.472 772 A N 2.266 125.154 122.820 0.113 0.000 2.407 772 A HA 0.112 4.426 4.320 -0.008 0.000 0.248 772 A C 1.493 179.089 177.584 0.020 0.000 1.082 772 A CA 0.212 52.257 52.037 0.013 0.000 0.785 772 A CB 0.241 19.192 19.000 -0.081 0.000 1.020 772 A HN 0.853 nan 8.150 nan 0.000 0.489 773 S N 0.363 116.066 115.700 0.006 0.000 2.442 773 S HA -0.162 4.303 4.470 -0.008 0.000 0.236 773 S C 0.572 175.151 174.600 -0.035 0.000 1.007 773 S CA 1.397 59.600 58.200 0.005 0.000 0.965 773 S CB -0.511 62.694 63.200 0.007 0.000 0.773 773 S HN 0.815 nan 8.310 nan 0.000 0.504 774 D N 0.381 120.751 120.400 -0.050 0.000 2.491 774 D HA 0.295 4.930 4.640 -0.008 0.000 0.228 774 D C 0.106 176.281 176.300 -0.209 0.000 1.183 774 D CA -0.499 53.436 54.000 -0.109 0.000 0.827 774 D CB -0.211 40.598 40.800 0.015 0.000 0.989 774 D HN 0.448 nan 8.370 nan 0.000 0.494 775 E N 0.160 120.227 120.200 -0.223 0.000 2.383 775 E HA 0.245 4.590 4.350 -0.008 0.000 0.264 775 E C -1.213 175.064 176.600 -0.537 0.000 1.050 775 E CA -0.335 55.864 56.400 -0.335 0.000 0.896 775 E CB 0.422 29.872 29.700 -0.417 0.000 0.982 775 E HN 0.122 nan 8.360 nan 0.000 0.424 776 F N 4.364 124.089 119.950 -0.376 0.000 2.311 776 F HA 0.300 4.822 4.527 -0.008 0.000 0.371 776 F C -0.765 174.855 175.800 -0.299 0.000 1.083 776 F CA -0.498 57.350 58.000 -0.253 0.000 1.113 776 F CB 0.356 39.245 39.000 -0.185 0.000 1.349 776 F HN 0.407 nan 8.300 nan 0.000 0.470 777 Y N 2.276 122.594 120.300 0.030 0.000 2.295 777 Y HA 0.344 4.889 4.550 -0.008 0.000 0.331 777 Y C 0.707 176.626 175.900 0.032 0.000 1.311 777 Y CA -0.893 57.194 58.100 -0.022 0.000 1.430 777 Y CB 0.422 38.805 38.460 -0.129 0.000 1.339 777 Y HN 0.263 nan 8.280 nan 0.000 0.552 778 L N 1.386 122.726 121.223 0.195 0.000 2.483 778 L HA 0.284 4.619 4.340 -0.008 0.000 0.276 778 L C 0.917 177.758 176.870 -0.049 0.000 1.213 778 L CA 0.820 55.748 54.840 0.146 0.000 0.843 778 L CB -0.258 41.881 42.059 0.134 0.000 1.107 778 L HN 0.995 nan 8.230 nan 0.000 0.487 779 G N 1.629 110.321 108.800 -0.180 0.000 2.660 779 G HA2 -0.275 3.680 3.960 -0.008 0.000 0.215 779 G HA3 -0.275 3.680 3.960 -0.008 0.000 0.215 779 G C 0.205 174.958 174.900 -0.245 0.000 1.345 779 G CA 0.035 44.792 45.100 -0.573 0.000 0.877 779 G HN 0.678 nan 8.290 nan 0.000 0.549 780 Q N -1.264 118.317 119.800 -0.364 0.000 2.160 780 Q HA -0.307 4.028 4.340 -0.008 0.000 0.207 780 Q C 1.200 177.383 176.000 0.305 0.000 1.052 780 Q CA 2.507 58.292 55.803 -0.029 0.000 1.106 780 Q CB -0.499 28.210 28.738 -0.047 0.000 1.199 780 Q HN 0.713 nan 8.270 nan 0.000 0.449 781 R N 0.853 121.566 120.500 0.355 0.000 2.215 781 R HA 0.452 4.787 4.340 -0.008 0.000 0.336 781 R C -0.522 175.929 176.300 0.251 0.000 0.996 781 R CA -0.251 56.097 56.100 0.412 0.000 0.847 781 R CB 1.113 31.684 30.300 0.453 0.000 1.127 781 R HN 0.126 nan 8.270 nan 0.000 0.465 782 D N 0.875 121.278 120.400 0.004 0.000 3.009 782 D HA 0.337 4.972 4.640 -0.008 0.000 0.318 782 D C -0.719 175.384 176.300 -0.328 0.000 1.273 782 D CA -0.656 53.115 54.000 -0.382 0.000 1.001 782 D CB 1.824 42.115 40.800 -0.847 0.000 1.411 782 D HN 0.536 nan 8.370 nan 0.000 0.577 783 G N -0.520 108.154 108.800 -0.209 0.000 2.873 783 G HA2 0.570 4.525 3.960 -0.008 0.000 0.340 783 G HA3 0.570 4.525 3.960 -0.008 0.000 0.340 783 G C 0.207 175.170 174.900 0.106 0.000 1.171 783 G CA 0.264 45.343 45.100 -0.035 0.000 1.113 783 G HN 0.697 nan 8.290 nan 0.000 0.471 784 G N 2.567 111.457 108.800 0.150 0.000 2.650 784 G HA2 -0.072 3.883 3.960 -0.008 0.000 0.686 784 G HA3 -0.072 3.883 3.960 -0.008 0.000 0.686 784 G C 0.075 175.052 174.900 0.127 0.000 1.205 784 G CA -0.114 45.079 45.100 0.156 0.000 0.781 784 G HN 0.461 nan 8.290 nan 0.000 0.648 785 D N -0.414 119.891 120.400 -0.159 0.000 2.277 785 D HA 0.081 4.716 4.640 -0.008 0.000 0.208 785 D C 1.160 177.093 176.300 -0.612 0.000 0.962 785 D CA 1.407 55.155 54.000 -0.419 0.000 0.865 785 D CB -0.029 40.265 40.800 -0.844 0.000 0.939 785 D HN 0.570 nan 8.370 nan 0.000 0.510 786 Y N 0.732 120.942 120.300 -0.149 0.000 2.801 786 Y HA 0.173 4.718 4.550 -0.009 0.000 0.318 786 Y C 1.000 176.771 175.900 -0.214 0.000 1.073 786 Y CA -1.254 56.659 58.100 -0.312 0.000 1.360 786 Y CB -0.590 37.551 38.460 -0.531 0.000 1.220 786 Y HN 0.154 nan 8.280 nan 0.000 0.536 787 W N -0.517 120.746 121.300 -0.062 0.000 2.421 787 W HA 0.042 4.697 4.660 -0.009 0.000 0.270 787 W C -0.163 176.318 176.519 -0.063 0.000 1.233 787 W CA 1.115 58.421 57.345 -0.066 0.000 1.226 787 W CB -0.524 28.869 29.460 -0.110 0.000 1.121 787 W HN 0.151 nan 8.180 nan 0.000 0.579 788 T N -0.449 113.739 114.554 -0.611 0.000 2.900 788 T HA 0.314 4.659 4.350 -0.008 0.000 0.303 788 T C 0.695 175.132 174.700 -0.438 0.000 1.142 788 T CA -0.193 61.599 62.100 -0.513 0.000 1.007 788 T CB 1.957 70.394 68.868 -0.718 0.000 1.156 788 T HN -0.172 nan 8.240 nan 0.000 0.490 789 S N 1.617 117.134 115.700 -0.306 0.000 2.356 789 S HA -0.015 4.450 4.470 -0.008 0.000 0.223 789 S C 0.229 174.674 174.600 -0.258 0.000 1.032 789 S CA 0.998 59.054 58.200 -0.241 0.000 1.005 789 S CB -0.276 62.789 63.200 -0.226 0.000 0.867 789 S HN 0.758 nan 8.310 nan 0.000 0.449 790 D N 1.269 121.491 120.400 -0.297 0.000 2.412 790 D HA 0.321 4.956 4.640 -0.008 0.000 0.257 790 D C 0.714 176.803 176.300 -0.353 0.000 1.217 790 D CA 0.195 54.003 54.000 -0.320 0.000 0.897 790 D CB 0.980 41.586 40.800 -0.323 0.000 1.132 790 D HN 0.212 nan 8.370 nan 0.000 0.493 791 A N 3.192 125.837 122.820 -0.293 0.000 1.968 791 A HA 0.041 4.355 4.320 -0.008 0.000 0.217 791 A C 2.103 179.543 177.584 -0.240 0.000 1.169 791 A CA 1.433 53.332 52.037 -0.229 0.000 0.638 791 A CB -0.572 18.329 19.000 -0.164 0.000 0.812 791 A HN 0.588 nan 8.150 nan 0.000 0.446 792 G N 0.774 109.344 108.800 -0.382 0.000 2.604 792 G HA2 -0.185 3.770 3.960 -0.008 0.000 0.216 792 G HA3 -0.185 3.770 3.960 -0.008 0.000 0.216 792 G C -0.022 174.562 174.900 -0.527 0.000 1.265 792 G CA 1.289 46.081 45.100 -0.515 0.000 0.804 792 G HN 0.489 nan 8.290 nan 0.000 0.579 793 P HA -0.093 nan 4.420 nan 0.000 0.216 793 P C 1.970 179.441 177.300 0.285 0.000 1.150 793 P CA 0.738 63.853 63.100 0.025 0.000 0.843 793 P CB -0.089 31.687 31.700 0.128 0.000 0.787 794 L N 0.386 121.603 121.223 -0.010 0.000 2.083 794 L HA -0.112 4.223 4.340 -0.008 0.000 0.209 794 L C 2.437 179.416 176.870 0.183 0.000 1.083 794 L CA 1.789 56.658 54.840 0.050 0.000 0.752 794 L CB -1.661 40.297 42.059 -0.167 0.000 0.899 794 L HN 0.031 nan 8.230 nan 0.000 0.433 795 E N -0.960 119.313 120.200 0.123 0.000 2.318 795 E HA -0.003 4.342 4.350 -0.008 0.000 0.193 795 E C 1.918 178.641 176.600 0.204 0.000 0.998 795 E CA 0.714 57.190 56.400 0.127 0.000 0.859 795 E CB 0.373 30.114 29.700 0.069 0.000 0.812 795 E HN 0.394 nan 8.360 nan 0.000 0.492 796 A N -0.052 122.974 122.820 0.343 0.000 2.167 796 A HA -0.066 4.249 4.320 -0.008 0.000 0.214 796 A C 1.597 179.429 177.584 0.414 0.000 1.151 796 A CA 0.343 52.666 52.037 0.477 0.000 0.735 796 A CB -0.451 19.028 19.000 0.798 0.000 0.802 796 A HN 0.338 nan 8.150 nan 0.000 0.467 797 F N -0.283 119.736 119.950 0.115 0.000 2.717 797 F HA 0.267 4.790 4.527 -0.008 0.000 0.295 797 F C 1.724 177.496 175.800 -0.047 0.000 1.117 797 F CA 0.611 58.470 58.000 -0.235 0.000 1.361 797 F CB 0.235 39.123 39.000 -0.187 0.000 1.112 797 F HN 0.049 nan 8.300 nan 0.000 0.594 798 K N 0.098 120.467 120.400 -0.050 0.000 2.137 798 K HA -0.032 4.283 4.320 -0.008 0.000 0.202 798 K C 2.180 178.692 176.600 -0.146 0.000 1.052 798 K CA 0.790 57.002 56.287 -0.126 0.000 0.961 798 K CB -0.079 32.417 32.500 -0.007 0.000 0.741 798 K HN 0.169 nan 8.250 nan 0.000 0.452 799 R N 0.873 121.348 120.500 -0.041 0.000 2.062 799 R HA -0.161 4.174 4.340 -0.008 0.000 0.231 799 R C 2.201 178.473 176.300 -0.047 0.000 1.136 799 R CA 1.509 57.602 56.100 -0.012 0.000 0.948 799 R CB -0.459 29.888 30.300 0.079 0.000 0.845 799 R HN 0.147 nan 8.270 nan 0.000 0.430 800 F N 1.228 121.060 119.950 -0.197 0.000 2.091 800 F HA -0.068 4.454 4.527 -0.009 0.000 0.299 800 F C 1.937 177.525 175.800 -0.354 0.000 1.103 800 F CA 2.073 59.916 58.000 -0.262 0.000 1.228 800 F CB -0.979 37.772 39.000 -0.416 0.000 0.984 800 F HN 0.138 nan 8.300 nan 0.000 0.477 801 G N 0.437 108.733 108.800 -0.840 0.000 2.448 801 G HA2 -0.265 3.689 3.960 -0.008 0.000 0.219 801 G HA3 -0.265 3.689 3.960 -0.008 0.000 0.219 801 G C 1.783 176.410 174.900 -0.455 0.000 1.127 801 G CA 0.783 45.414 45.100 -0.782 0.000 0.766 801 G HN 0.338 nan 8.290 nan 0.000 0.552 802 K N 0.982 121.197 120.400 -0.308 0.000 2.116 802 K HA -0.060 4.255 4.320 -0.008 0.000 0.203 802 K C 2.171 178.658 176.600 -0.188 0.000 1.052 802 K CA 1.028 57.194 56.287 -0.201 0.000 0.952 802 K CB -0.383 32.039 32.500 -0.129 0.000 0.729 802 K HN 0.228 nan 8.250 nan 0.000 0.446 803 N N 1.453 120.039 118.700 -0.190 0.000 2.104 803 N HA -0.131 4.604 4.740 -0.008 0.000 0.190 803 N C 1.966 177.372 175.510 -0.173 0.000 1.024 803 N CA 1.276 54.245 53.050 -0.135 0.000 0.853 803 N CB -0.265 38.178 38.487 -0.073 0.000 1.008 803 N HN 0.189 nan 8.380 nan 0.000 0.424 804 L N 0.498 121.548 121.223 -0.288 0.000 2.093 804 L HA -0.089 4.246 4.340 -0.008 0.000 0.208 804 L C 2.159 178.898 176.870 -0.218 0.000 1.085 804 L CA 1.042 55.723 54.840 -0.265 0.000 0.755 804 L CB -0.480 41.351 42.059 -0.381 0.000 0.904 804 L HN 0.236 nan 8.230 nan 0.000 0.435 805 E N -0.158 119.909 120.200 -0.222 0.000 2.130 805 E HA -0.240 4.105 4.350 -0.008 0.000 0.196 805 E C 2.127 178.631 176.600 -0.161 0.000 0.998 805 E CA 1.048 57.335 56.400 -0.189 0.000 0.806 805 E CB -0.018 29.581 29.700 -0.168 0.000 0.738 805 E HN 0.380 nan 8.360 nan 0.000 0.459 806 E N 0.672 120.790 120.200 -0.136 0.000 2.046 806 E HA -0.096 4.249 4.350 -0.008 0.000 0.190 806 E C 2.137 178.677 176.600 -0.100 0.000 0.982 806 E CA 0.608 56.945 56.400 -0.104 0.000 0.800 806 E CB -0.108 29.545 29.700 -0.078 0.000 0.756 806 E HN 0.314 nan 8.360 nan 0.000 0.449 807 I N 0.896 121.407 120.570 -0.098 0.000 2.361 807 I HA -0.236 3.929 4.170 -0.008 0.000 0.251 807 I C 2.472 178.511 176.117 -0.129 0.000 1.133 807 I CA 1.053 62.306 61.300 -0.079 0.000 1.413 807 I CB -0.192 37.774 38.000 -0.056 0.000 1.073 807 I HN 0.134 nan 8.210 nan 0.000 0.424 808 E N 1.344 121.427 120.200 -0.196 0.000 2.150 808 E HA -0.205 4.140 4.350 -0.008 0.000 0.193 808 E C 2.075 178.460 176.600 -0.358 0.000 0.985 808 E CA 0.931 57.131 56.400 -0.333 0.000 0.814 808 E CB 0.186 29.675 29.700 -0.352 0.000 0.752 808 E HN 0.401 nan 8.360 nan 0.000 0.466 809 K N 0.340 120.606 120.400 -0.224 0.000 2.148 809 K HA -0.105 4.210 4.320 -0.008 0.000 0.204 809 K C 2.192 178.721 176.600 -0.119 0.000 1.050 809 K CA 0.697 56.885 56.287 -0.166 0.000 0.942 809 K CB 0.030 32.461 32.500 -0.116 0.000 0.724 809 K HN -0.100 nan 8.250 nan 0.000 0.446 810 K N 1.026 121.370 120.400 -0.093 0.000 2.155 810 K HA -0.064 4.251 4.320 -0.008 0.000 0.203 810 K C 1.903 178.487 176.600 -0.027 0.000 1.052 810 K CA 0.962 57.224 56.287 -0.042 0.000 0.948 810 K CB 0.015 32.503 32.500 -0.020 0.000 0.728 810 K HN 0.003 nan 8.250 nan 0.000 0.448 811 L N 0.866 122.045 121.223 -0.073 0.000 2.044 811 L HA -0.007 4.328 4.340 -0.008 0.000 0.205 811 L C 2.271 179.156 176.870 0.025 0.000 1.075 811 L CA 1.145 55.978 54.840 -0.010 0.000 0.747 811 L CB -0.590 41.428 42.059 -0.068 0.000 0.903 811 L HN 0.056 nan 8.230 nan 0.000 0.435 812 I N -0.677 119.786 120.570 -0.178 0.000 2.423 812 I HA -0.310 3.855 4.170 -0.008 0.000 0.254 812 I C 2.316 178.469 176.117 0.061 0.000 1.151 812 I CA 1.139 62.418 61.300 -0.036 0.000 1.421 812 I CB -0.174 37.727 38.000 -0.166 0.000 1.079 812 I HN 0.380 nan 8.210 nan 0.000 0.431 813 E N 0.741 120.957 120.200 0.026 0.000 2.028 813 E HA -0.185 4.160 4.350 -0.008 0.000 0.190 813 E C 2.045 178.696 176.600 0.085 0.000 0.984 813 E CA 0.887 57.314 56.400 0.045 0.000 0.800 813 E CB -0.004 29.707 29.700 0.019 0.000 0.758 813 E HN 0.410 nan 8.360 nan 0.000 0.448 814 K N 0.734 121.194 120.400 0.101 0.000 2.360 814 K HA -0.096 4.219 4.320 -0.008 0.000 0.201 814 K C 1.147 177.871 176.600 0.206 0.000 1.046 814 K CA 0.696 57.063 56.287 0.133 0.000 0.940 814 K CB -0.058 32.526 32.500 0.139 0.000 0.748 814 K HN 0.045 nan 8.250 nan 0.000 0.465 815 N N 0.547 119.406 118.700 0.265 0.000 2.280 815 N HA 0.014 4.749 4.740 -0.008 0.000 0.192 815 N C 0.482 176.218 175.510 0.378 0.000 1.109 815 N CA 0.348 53.649 53.050 0.419 0.000 0.855 815 N CB 0.402 39.114 38.487 0.374 0.000 0.974 815 N HN 0.194 nan 8.380 nan 0.000 0.482 816 N N 0.275 119.094 118.700 0.198 0.000 2.250 816 N HA -0.036 4.699 4.740 -0.008 0.000 0.190 816 N C -0.342 175.187 175.510 0.033 0.000 1.116 816 N CA 0.073 53.194 53.050 0.118 0.000 0.881 816 N CB 0.511 39.051 38.487 0.089 0.000 1.006 816 N HN 0.153 nan 8.380 nan 0.000 0.491 817 D N 1.540 121.963 120.400 0.039 0.000 2.338 817 D HA 0.044 4.678 4.640 -0.008 0.000 0.255 817 D C 0.485 176.740 176.300 -0.075 0.000 1.237 817 D CA 0.192 54.190 54.000 -0.003 0.000 0.883 817 D CB 0.686 41.502 40.800 0.026 0.000 1.087 817 D HN -0.128 nan 8.370 nan 0.000 0.485 818 E N 2.436 122.564 120.200 -0.119 0.000 2.445 818 E HA 0.018 4.363 4.350 -0.008 0.000 0.189 818 E C 0.934 177.460 176.600 -0.124 0.000 1.069 818 E CA 0.148 56.423 56.400 -0.207 0.000 0.871 818 E CB 0.392 29.975 29.700 -0.194 0.000 0.991 818 E HN 0.474 nan 8.360 nan 0.000 0.481 819 T N 0.477 114.992 114.554 -0.065 0.000 2.976 819 T HA 0.117 4.462 4.350 -0.008 0.000 0.257 819 T C 1.047 175.739 174.700 -0.014 0.000 1.051 819 T CA 0.243 62.325 62.100 -0.031 0.000 1.141 819 T CB 0.186 69.046 68.868 -0.013 0.000 0.881 819 T HN 0.086 nan 8.240 nan 0.000 0.461 820 L N 2.630 123.853 121.223 -0.000 0.000 2.375 820 L HA 0.322 4.657 4.340 -0.008 0.000 0.276 820 L C 1.458 178.359 176.870 0.052 0.000 1.162 820 L CA -0.543 54.319 54.840 0.038 0.000 0.991 820 L CB 0.387 42.490 42.059 0.073 0.000 1.315 820 L HN -0.094 nan 8.230 nan 0.000 0.431 821 R N 1.306 121.828 120.500 0.038 0.000 2.161 821 R HA -0.011 4.324 4.340 -0.008 0.000 0.213 821 R C 1.367 177.736 176.300 0.115 0.000 1.055 821 R CA 0.685 56.821 56.100 0.060 0.000 0.996 821 R CB -0.219 30.101 30.300 0.033 0.000 0.901 821 R HN 0.639 nan 8.270 nan 0.000 0.456 822 N N 1.310 120.055 118.700 0.076 0.000 2.513 822 N HA -0.167 4.568 4.740 -0.008 0.000 0.187 822 N C 0.768 176.340 175.510 0.103 0.000 1.056 822 N CA 0.589 53.671 53.050 0.053 0.000 0.907 822 N CB 0.006 38.491 38.487 -0.003 0.000 0.954 822 N HN 0.263 nan 8.380 nan 0.000 0.445 823 R N -1.692 118.931 120.500 0.205 0.000 2.696 823 R HA 0.177 4.512 4.340 -0.008 0.000 0.355 823 R C -0.320 176.226 176.300 0.409 0.000 1.138 823 R CA -0.170 56.101 56.100 0.285 0.000 1.059 823 R CB 0.092 30.569 30.300 0.296 0.000 1.380 823 R HN 0.167 nan 8.270 nan 0.000 0.578 824 Y N -0.323 120.060 120.300 0.137 0.000 3.267 824 Y HA 0.300 4.845 4.550 -0.008 0.000 0.156 824 Y C 1.007 176.971 175.900 0.106 0.000 0.922 824 Y CA 0.737 58.912 58.100 0.125 0.000 1.867 824 Y CB 0.527 39.042 38.460 0.093 0.000 1.383 824 Y HN 0.372 nan 8.280 nan 0.000 0.284 825 G N 1.014 109.981 108.800 0.280 0.000 2.782 825 G HA2 -0.213 3.742 3.960 -0.008 0.000 0.228 825 G HA3 -0.213 3.742 3.960 -0.008 0.000 0.228 825 G C -2.180 172.805 174.900 0.142 0.000 1.372 825 G CA -0.412 44.788 45.100 0.167 0.000 0.862 825 G HN 0.174 nan 8.290 nan 0.000 0.547 826 P HA -0.040 nan 4.420 nan 0.000 0.218 826 P C 2.043 179.391 177.300 0.080 0.000 1.146 826 P CA 2.874 66.021 63.100 0.077 0.000 0.813 826 P CB -0.064 31.672 31.700 0.059 0.000 0.778 827 A N -1.085 121.792 122.820 0.095 0.000 2.119 827 A HA -0.067 4.248 4.320 -0.008 0.000 0.217 827 A C 0.899 178.512 177.584 0.048 0.000 1.153 827 A CA 0.684 52.766 52.037 0.074 0.000 0.692 827 A CB -0.691 18.367 19.000 0.096 0.000 0.799 827 A HN -0.029 nan 8.150 nan 0.000 0.458 828 K N -1.560 118.901 120.400 0.101 0.000 3.096 828 K HA -0.155 4.159 4.320 -0.008 0.000 0.266 828 K C -0.460 176.105 176.600 -0.058 0.000 1.043 828 K CA 1.042 57.404 56.287 0.126 0.000 0.758 828 K CB -1.787 30.781 32.500 0.114 0.000 1.260 828 K HN 0.662 nan 8.250 nan 0.000 0.481 829 M N 1.176 120.716 119.600 -0.099 0.000 2.158 829 M HA 0.173 4.648 4.480 -0.008 0.000 0.326 829 M C -2.334 173.864 176.300 -0.171 0.000 1.014 829 M CA -1.781 53.411 55.300 -0.180 0.000 0.961 829 M CB 1.348 33.853 32.600 -0.159 0.000 1.327 829 M HN -0.241 nan 8.290 nan 0.000 0.393 830 P HA -0.133 nan 4.420 nan 0.000 0.258 830 P C -0.907 176.431 177.300 0.062 0.000 1.187 830 P CA 0.096 62.925 63.100 -0.451 0.000 0.767 830 P CB -0.053 31.326 31.700 -0.535 0.000 0.770 831 Y N 3.702 124.044 120.300 0.070 0.000 2.559 831 Y HA -0.040 4.505 4.550 -0.008 0.000 0.344 831 Y C 1.206 177.007 175.900 -0.166 0.000 1.257 831 Y CA 0.840 59.002 58.100 0.102 0.000 1.839 831 Y CB -0.774 37.773 38.460 0.145 0.000 1.648 831 Y HN 0.288 nan 8.280 nan 0.000 0.445 832 T N 5.633 119.784 114.554 -0.672 0.000 3.148 832 T HA 0.035 4.380 4.350 -0.008 0.000 0.253 832 T C 1.901 175.923 174.700 -1.130 0.000 1.134 832 T CA 0.302 61.747 62.100 -1.093 0.000 1.051 832 T CB -0.102 68.302 68.868 -0.774 0.000 0.959 832 T HN 0.653 nan 8.240 nan 0.000 0.525 833 L N 0.095 120.481 121.223 -1.395 0.000 2.093 833 L HA 0.072 4.407 4.340 -0.008 0.000 0.208 833 L C 1.730 178.329 176.870 -0.453 0.000 1.085 833 L CA 1.194 55.461 54.840 -0.955 0.000 0.755 833 L CB -0.186 41.317 42.059 -0.926 0.000 0.904 833 L HN 0.304 nan 8.230 nan 0.000 0.435 834 L N -1.085 119.929 121.223 -0.349 0.000 2.629 834 L HA 0.039 4.374 4.340 -0.008 0.000 0.230 834 L C -0.193 176.723 176.870 0.076 0.000 1.151 834 L CA -0.466 54.353 54.840 -0.034 0.000 0.924 834 L CB -0.111 42.009 42.059 0.102 0.000 1.137 834 L HN 0.076 nan 8.230 nan 0.000 0.457 835 Y N 2.092 122.280 120.300 -0.186 0.000 2.650 835 Y HA 0.073 4.618 4.550 -0.009 0.000 0.342 835 Y C -1.098 174.701 175.900 -0.167 0.000 1.110 835 Y CA -2.852 55.151 58.100 -0.162 0.000 1.438 835 Y CB 0.121 38.470 38.460 -0.186 0.000 1.181 835 Y HN 0.066 nan 8.280 nan 0.000 0.526 836 P HA -0.078 nan 4.420 nan 0.000 0.236 836 P C -0.125 177.081 177.300 -0.156 0.000 1.172 836 P CA 0.708 63.766 63.100 -0.070 0.000 0.759 836 P CB 0.383 32.027 31.700 -0.094 0.000 0.843 837 S N -2.484 113.062 115.700 -0.256 0.000 2.661 837 S HA 0.746 5.211 4.470 -0.008 0.000 0.285 837 S C -0.720 173.504 174.600 -0.626 0.000 1.138 837 S CA -0.700 57.174 58.200 -0.544 0.000 0.855 837 S CB 2.262 65.214 63.200 -0.412 0.000 1.136 837 S HN -0.006 nan 8.310 nan 0.000 0.484 838 S N -0.345 114.768 115.700 -0.977 0.000 2.597 838 S HA 0.347 4.812 4.470 -0.008 0.000 0.274 838 S C -1.842 172.446 174.600 -0.520 0.000 1.132 838 S CA -0.649 57.160 58.200 -0.650 0.000 0.835 838 S CB 1.396 64.229 63.200 -0.613 0.000 1.092 838 S HN 0.933 nan 8.310 nan 0.000 0.457 839 E N 1.180 121.239 120.200 -0.235 0.000 2.314 839 E HA 0.311 4.656 4.350 -0.008 0.000 0.262 839 E C 0.159 176.756 176.600 -0.005 0.000 1.093 839 E CA -0.381 55.957 56.400 -0.105 0.000 0.908 839 E CB 0.725 30.389 29.700 -0.061 0.000 1.091 839 E HN 0.712 nan 8.360 nan 0.000 0.425 840 E N 0.958 121.184 120.200 0.043 0.000 2.435 840 E HA 0.377 4.722 4.350 -0.008 0.000 0.256 840 E C 0.544 177.209 176.600 0.109 0.000 1.245 840 E CA -0.026 56.437 56.400 0.105 0.000 0.989 840 E CB 0.316 30.053 29.700 0.062 0.000 0.983 840 E HN 0.779 nan 8.360 nan 0.000 0.480 841 G N -0.068 108.801 108.800 0.115 0.000 2.548 841 G HA2 -0.159 3.796 3.960 -0.008 0.000 0.208 841 G HA3 -0.159 3.796 3.960 -0.008 0.000 0.208 841 G C -0.741 174.221 174.900 0.104 0.000 1.308 841 G CA -0.274 44.871 45.100 0.074 0.000 0.924 841 G HN 1.089 nan 8.290 nan 0.000 0.540 842 L N 1.497 122.760 121.223 0.067 0.000 2.828 842 L HA 0.616 4.951 4.340 -0.008 0.000 0.233 842 L C 1.318 178.262 176.870 0.123 0.000 1.250 842 L CA 0.608 55.499 54.840 0.085 0.000 1.125 842 L CB -0.149 41.921 42.059 0.019 0.000 1.432 842 L HN 1.220 nan 8.230 nan 0.000 0.444 843 T N -2.319 112.334 114.554 0.165 0.000 2.860 843 T HA 0.144 4.489 4.350 -0.008 0.000 0.299 843 T C 0.365 175.187 174.700 0.203 0.000 1.045 843 T CA -0.231 61.959 62.100 0.150 0.000 1.071 843 T CB 0.581 69.529 68.868 0.133 0.000 0.985 843 T HN 0.304 nan 8.240 nan 0.000 0.537 844 F N 2.402 122.323 119.950 -0.050 0.000 2.798 844 F HA 0.336 4.858 4.527 -0.008 0.000 0.291 844 F C 0.637 176.368 175.800 -0.115 0.000 1.174 844 F CA -1.527 56.424 58.000 -0.083 0.000 1.392 844 F CB -0.642 38.252 39.000 -0.177 0.000 0.966 844 F HN 0.709 nan 8.300 nan 0.000 0.509 845 R N -0.660 119.786 120.500 -0.091 0.000 2.781 845 R HA 0.793 5.128 4.340 -0.008 0.000 0.269 845 R C -0.584 175.656 176.300 -0.101 0.000 1.025 845 R CA -0.921 55.054 56.100 -0.209 0.000 0.914 845 R CB 1.175 31.326 30.300 -0.249 0.000 1.236 845 R HN 0.250 nan 8.270 nan 0.000 0.465 846 G N 0.846 109.542 108.800 -0.173 0.000 3.069 846 G HA2 0.018 3.973 3.960 -0.008 0.000 0.686 846 G HA3 0.018 3.973 3.960 -0.008 0.000 0.686 846 G C -0.919 173.928 174.900 -0.088 0.000 1.161 846 G CA -0.793 44.175 45.100 -0.220 0.000 0.804 846 G HN 0.517 nan 8.290 nan 0.000 0.608 847 I N 4.737 125.341 120.570 0.057 0.000 2.460 847 I HA 0.261 4.426 4.170 -0.008 0.000 0.277 847 I C -1.690 174.501 176.117 0.124 0.000 1.057 847 I CA -2.112 59.229 61.300 0.068 0.000 1.179 847 I CB 1.795 39.826 38.000 0.051 0.000 1.329 847 I HN 0.293 nan 8.210 nan 0.000 0.478 848 P HA 0.036 nan 4.420 nan 0.000 0.269 848 P C -0.067 177.261 177.300 0.046 0.000 1.217 848 P CA 0.202 63.239 63.100 -0.106 0.000 0.783 848 P CB 0.994 32.625 31.700 -0.115 0.000 0.898 849 N N -0.560 118.178 118.700 0.063 0.000 2.223 849 N HA -0.091 4.644 4.740 -0.008 0.000 0.185 849 N C 0.714 176.343 175.510 0.198 0.000 1.016 849 N CA 1.092 54.260 53.050 0.197 0.000 0.863 849 N CB -0.052 38.469 38.487 0.058 0.000 0.983 849 N HN 0.550 nan 8.380 nan 0.000 0.429 850 S N -0.937 114.789 115.700 0.045 0.000 2.697 850 S HA 0.468 4.933 4.470 -0.008 0.000 0.289 850 S C -0.529 174.002 174.600 -0.116 0.000 1.149 850 S CA -0.946 57.245 58.200 -0.016 0.000 0.850 850 S CB 1.221 64.387 63.200 -0.058 0.000 1.151 850 S HN -0.008 nan 8.310 nan 0.000 0.491 851 I N 2.995 123.401 120.570 -0.273 0.000 2.349 851 I HA 0.114 4.279 4.170 -0.008 0.000 0.302 851 I C 1.018 176.959 176.117 -0.293 0.000 1.180 851 I CA -0.200 60.715 61.300 -0.643 0.000 1.405 851 I CB 0.202 37.736 38.000 -0.777 0.000 1.474 851 I HN 0.819 nan 8.210 nan 0.000 0.632 852 S N 5.722 121.367 115.700 -0.092 0.000 2.540 852 S HA 0.377 4.842 4.470 -0.008 0.000 0.218 852 S C 0.469 175.152 174.600 0.139 0.000 0.977 852 S CA -0.265 57.958 58.200 0.038 0.000 0.918 852 S CB -0.038 63.191 63.200 0.049 0.000 0.806 852 S HN 0.493 nan 8.310 nan 0.000 0.496 853 I N 0.000 120.696 120.570 0.211 0.000 2.984 853 I HA 0.000 4.165 4.170 -0.008 0.000 0.288 853 I CA 0.000 61.469 61.300 0.282 0.000 1.566 853 I CB 0.000 38.125 38.000 0.209 0.000 1.214 853 I HN 0.000 nan 8.210 nan 0.000 0.494