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 2dqm_1_A DATA FIRST_RESID 4 DATA SEQUENCE QPQAKYRHDY RAPDYQITDI DLTFDLDAQK TVVTAVSQAV RHGASDAPLR DATA SEQUENCE LNGEDLKLVS VHINDEPWTA WKEEEGALVI SNLPERFTLK IINEISPAAN DATA SEQUENCE TALEGLYQSG DALCTQCEAE GFRHITYYLD RPDVLARFTT KIIADKIKYP DATA SEQUENCE FLLSNGNRVA QGELENGRHW VQWQDPFPKP CYLFALVAGD FDVLRDTFTT DATA SEQUENCE RSGREVALEL YVDRGNLDRA PWAMTSLKNS MKWDEERFGL EYDLDIYMIV DATA SEQUENCE AVDFFNMGAM ENKGLNIFNS KYVLARTDTA TDKDYLDIER VIGHEYFHNW DATA SEQUENCE TGNRVTCRDW FQLSLKEGLT VFRDQEFSSD LGSRAVNRIN NVRTMRGLQF DATA SEQUENCE AEDASPMAHP IRPDMVIEMN NFYTLTVYEK GAEVIRMIHT LLGEENFQKG DATA SEQUENCE MQLYFERHDG SAATCDDFVQ AMEDASNVDL SHFRRWYSQS GTPIVTVKDD DATA SEQUENCE YNPETEQYTL TISQRTPATP DQAEKQPLHI PFAIELYDNE GKVIPLQKGG DATA SEQUENCE HPVNSVLNVT QAEQTFVFDN VYFQPVPALL CEFSAPVKLE YKWSDQQLTF DATA SEQUENCE LMRHARNDFS RWDAAQSLLA TYIKLNVARH QQGQPLSLPV HVADAFRAVL DATA SEQUENCE LDEKIDPALA AEILTLPSVN EMAELFDIID PIAIAEVREA LTRTLATELA DATA SEQUENCE DELLAIYNAN YQSEYRVEHE DIAKRTLRNA CLRFLAFGET HLADVLVSKQ DATA SEQUENCE FHEANNMTDA LAALSAAVAA QLPCRDALMQ EYDDKWHQNG LVMDKWFILQ DATA SEQUENCE ATSPAANVLE TVRGLLQHRS FTMSNPNRIR SLIGAFAGSN PAAFHAEDGS DATA SEQUENCE GYLFLVEMLT DLNSRNPQVA SRLIEPLIRL KRYDAKRQEK MRAALEQLKG DATA SEQUENCE LENLSGDLYE KITKALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.898 176.000 -0.169 0.000 1.003 4 Q CA 0.000 55.592 55.803 -0.352 0.000 1.022 4 Q CB 0.000 28.150 28.738 -0.980 0.000 1.108 5 P HA 0.203 nan 4.420 nan 0.000 0.272 5 P C -0.608 176.721 177.300 0.050 0.000 1.223 5 P CA -0.237 62.864 63.100 0.002 0.000 0.784 5 P CB 0.799 32.515 31.700 0.028 0.000 0.923 6 Q N 0.332 120.176 119.800 0.073 0.000 2.317 6 Q HA 0.528 4.868 4.340 0.001 0.000 0.229 6 Q C 0.129 176.191 176.000 0.103 0.000 0.984 6 Q CA -0.247 55.623 55.803 0.112 0.000 0.911 6 Q CB 0.349 29.160 28.738 0.122 0.000 1.217 6 Q HN 0.627 nan 8.270 nan 0.000 0.501 7 A N 1.642 124.524 122.820 0.103 0.000 2.351 7 A HA 0.394 4.714 4.320 0.001 0.000 0.257 7 A C -0.499 177.021 177.584 -0.107 0.000 1.087 7 A CA -0.239 51.774 52.037 -0.041 0.000 0.798 7 A CB 0.350 19.265 19.000 -0.142 0.000 1.033 7 A HN 0.562 nan 8.150 nan 0.000 0.488 8 K N 0.395 120.681 120.400 -0.189 0.000 2.207 8 K HA 0.536 4.857 4.320 0.001 0.000 0.255 8 K C -1.783 174.671 176.600 -0.242 0.000 0.941 8 K CA -0.210 56.060 56.287 -0.030 0.000 0.825 8 K CB 1.657 34.247 32.500 0.149 0.000 1.119 8 K HN 0.655 nan 8.250 nan 0.000 0.430 9 Y N 0.566 120.861 120.300 -0.009 0.000 2.429 9 Y HA 0.276 4.826 4.550 0.001 0.000 0.342 9 Y C 1.349 176.754 175.900 -0.825 0.000 1.004 9 Y CA -0.848 56.981 58.100 -0.452 0.000 1.075 9 Y CB 1.685 39.697 38.460 -0.748 0.000 1.214 9 Y HN 0.566 nan 8.280 nan 0.000 0.455 10 R N 1.281 120.987 120.500 -1.324 0.000 2.105 10 R HA -0.176 4.164 4.340 0.001 0.000 0.239 10 R C 1.719 177.782 176.300 -0.395 0.000 1.135 10 R CA 2.071 57.392 56.100 -1.298 0.000 0.967 10 R CB -0.288 29.389 30.300 -1.038 0.000 0.861 10 R HN 0.972 nan 8.270 nan 0.000 0.442 11 H N -2.153 116.830 119.070 -0.145 0.000 2.561 11 H HA -0.003 4.553 4.556 0.001 0.000 0.278 11 H C 0.207 175.550 175.328 0.026 0.000 1.014 11 H CA 0.426 56.455 56.048 -0.031 0.000 1.211 11 H CB 0.135 29.882 29.762 -0.025 0.000 1.365 11 H HN 0.221 nan 8.280 nan 0.000 0.594 12 D N 0.640 121.126 120.400 0.144 0.000 2.328 12 D HA -0.036 4.605 4.640 0.001 0.000 0.221 12 D C 0.045 176.427 176.300 0.136 0.000 1.072 12 D CA -0.198 53.912 54.000 0.183 0.000 0.850 12 D CB -0.381 40.527 40.800 0.179 0.000 0.922 12 D HN 0.377 nan 8.370 nan 0.000 0.516 13 Y N 2.346 122.683 120.300 0.060 0.000 2.712 13 Y HA -0.004 4.546 4.550 0.001 0.000 0.333 13 Y C 0.300 176.240 175.900 0.067 0.000 1.225 13 Y CA 0.295 58.440 58.100 0.076 0.000 1.499 13 Y CB 0.340 38.837 38.460 0.062 0.000 1.288 13 Y HN -0.221 nan 8.280 nan 0.000 0.575 14 R N 4.815 124.751 120.500 -0.940 0.000 2.564 14 R HA 0.678 5.019 4.340 0.001 0.000 0.284 14 R C -1.167 174.643 176.300 -0.818 0.000 1.031 14 R CA -0.607 55.110 56.100 -0.639 0.000 0.904 14 R CB 1.207 31.358 30.300 -0.248 0.000 1.199 14 R HN 0.887 nan 8.270 nan 0.000 0.443 15 A N 5.096 127.643 122.820 -0.455 0.000 2.520 15 A HA 0.255 4.576 4.320 0.001 0.000 0.235 15 A C -2.000 175.492 177.584 -0.154 0.000 1.065 15 A CA -0.770 51.145 52.037 -0.203 0.000 0.764 15 A CB -0.308 18.674 19.000 -0.031 0.000 1.002 15 A HN 0.565 nan 8.150 nan 0.000 0.502 16 P HA 0.105 nan 4.420 nan 0.000 0.271 16 P C -0.388 176.896 177.300 -0.027 0.000 1.216 16 P CA -0.185 62.887 63.100 -0.046 0.000 0.776 16 P CB 0.787 32.470 31.700 -0.029 0.000 0.881 17 D N 0.706 121.123 120.400 0.028 0.000 2.224 17 D HA -0.052 4.589 4.640 0.001 0.000 0.205 17 D C 0.091 176.291 176.300 -0.166 0.000 0.965 17 D CA 1.704 55.686 54.000 -0.029 0.000 0.852 17 D CB -0.073 40.760 40.800 0.054 0.000 0.947 17 D HN 0.443 nan 8.370 nan 0.000 0.494 18 Y N -0.333 119.988 120.300 0.034 0.000 2.524 18 Y HA 0.376 4.927 4.550 0.001 0.000 0.347 18 Y C 0.258 176.134 175.900 -0.040 0.000 1.005 18 Y CA -0.973 57.155 58.100 0.045 0.000 1.025 18 Y CB 1.657 40.139 38.460 0.037 0.000 1.275 18 Y HN -0.380 nan 8.280 nan 0.000 0.460 19 Q N 2.230 122.109 119.800 0.132 0.000 2.387 19 Q HA 0.592 4.933 4.340 0.001 0.000 0.273 19 Q C -1.242 174.747 176.000 -0.018 0.000 1.089 19 Q CA -0.767 55.030 55.803 -0.010 0.000 0.824 19 Q CB 3.252 31.942 28.738 -0.080 0.000 1.367 19 Q HN 0.710 nan 8.270 nan 0.000 0.443 20 I N 1.358 121.887 120.570 -0.069 0.000 2.410 20 I HA 0.157 4.328 4.170 0.001 0.000 0.286 20 I C 1.241 177.338 176.117 -0.034 0.000 1.009 20 I CA -0.147 61.100 61.300 -0.089 0.000 1.111 20 I CB 1.979 39.892 38.000 -0.144 0.000 1.262 20 I HN 0.717 nan 8.210 nan 0.000 0.443 21 T N 0.256 114.786 114.554 -0.039 0.000 3.035 21 T HA 0.174 4.524 4.350 0.001 0.000 0.259 21 T C 0.204 174.891 174.700 -0.021 0.000 1.078 21 T CA 0.488 62.580 62.100 -0.014 0.000 1.132 21 T CB -0.076 68.784 68.868 -0.014 0.000 0.900 21 T HN 0.505 nan 8.240 nan 0.000 0.480 22 D N -0.217 120.149 120.400 -0.057 0.000 2.859 22 D HA 0.644 5.284 4.640 0.001 0.000 0.223 22 D C -1.685 174.532 176.300 -0.138 0.000 1.218 22 D CA -0.498 53.453 54.000 -0.081 0.000 0.850 22 D CB 2.545 43.311 40.800 -0.055 0.000 1.656 22 D HN 0.320 nan 8.370 nan 0.000 0.484 23 I N 1.147 121.570 120.570 -0.244 0.000 2.534 23 I HA 0.328 4.499 4.170 0.001 0.000 0.288 23 I C -1.805 174.174 176.117 -0.231 0.000 1.077 23 I CA -0.516 60.608 61.300 -0.294 0.000 1.051 23 I CB 1.575 39.251 38.000 -0.539 0.000 1.234 23 I HN 0.287 nan 8.210 nan 0.000 0.425 24 D N 8.747 129.071 120.400 -0.128 0.000 2.414 24 D HA 0.388 5.029 4.640 0.001 0.000 0.232 24 D C -1.286 174.979 176.300 -0.059 0.000 1.070 24 D CA -0.233 53.736 54.000 -0.053 0.000 0.839 24 D CB 1.407 42.185 40.800 -0.036 0.000 1.079 24 D HN 0.476 nan 8.370 nan 0.000 0.521 25 L N 2.433 123.660 121.223 0.006 0.000 2.325 25 L HA 0.462 4.802 4.340 0.001 0.000 0.278 25 L C 0.204 177.093 176.870 0.032 0.000 1.023 25 L CA -0.492 54.332 54.840 -0.026 0.000 0.811 25 L CB 2.167 44.275 42.059 0.081 0.000 1.249 25 L HN 0.266 nan 8.230 nan 0.000 0.431 26 T N 2.076 116.554 114.554 -0.127 0.000 2.879 26 T HA 0.539 4.889 4.350 0.001 0.000 0.290 26 T C -0.960 173.636 174.700 -0.173 0.000 0.993 26 T CA -0.359 61.718 62.100 -0.039 0.000 0.975 26 T CB 0.804 69.623 68.868 -0.082 0.000 0.981 26 T HN 0.074 nan 8.240 nan 0.000 0.439 27 F N 2.204 122.171 119.950 0.028 0.000 2.449 27 F HA 0.345 4.872 4.527 0.001 0.000 0.342 27 F C 0.521 176.324 175.800 0.006 0.000 1.127 27 F CA -1.085 56.924 58.000 0.016 0.000 0.975 27 F CB 1.294 40.319 39.000 0.042 0.000 1.146 27 F HN 0.412 nan 8.300 nan 0.000 0.444 28 D N 5.517 125.992 120.400 0.126 0.000 2.479 28 D HA 0.226 4.866 4.640 0.001 0.000 0.218 28 D C -0.339 176.022 176.300 0.102 0.000 1.131 28 D CA -0.077 53.976 54.000 0.088 0.000 0.916 28 D CB 0.515 41.337 40.800 0.036 0.000 1.022 28 D HN 0.442 nan 8.370 nan 0.000 0.515 29 L N 2.870 124.152 121.223 0.098 0.000 2.416 29 L HA 0.251 4.592 4.340 0.001 0.000 0.272 29 L C 0.229 177.118 176.870 0.032 0.000 1.161 29 L CA 0.223 55.078 54.840 0.026 0.000 0.845 29 L CB 0.735 42.719 42.059 -0.124 0.000 1.119 29 L HN 0.392 nan 8.230 nan 0.000 0.464 30 D N 1.223 121.641 120.400 0.030 0.000 2.812 30 D HA 0.322 4.963 4.640 0.001 0.000 0.210 30 D C 0.252 176.596 176.300 0.074 0.000 1.260 30 D CA -0.144 53.910 54.000 0.091 0.000 0.817 30 D CB 1.365 42.220 40.800 0.092 0.000 1.694 30 D HN 0.449 nan 8.370 nan 0.000 0.530 31 A N 2.437 125.327 122.820 0.117 0.000 1.940 31 A HA -0.208 4.112 4.320 0.001 0.000 0.219 31 A C 1.735 179.357 177.584 0.063 0.000 1.176 31 A CA 1.455 53.547 52.037 0.091 0.000 0.631 31 A CB -0.295 18.776 19.000 0.118 0.000 0.814 31 A HN 0.623 nan 8.150 nan 0.000 0.446 32 Q N -0.991 118.846 119.800 0.061 0.000 2.123 32 Q HA 0.091 4.431 4.340 0.001 0.000 0.196 32 Q C 0.787 176.811 176.000 0.040 0.000 0.958 32 Q CA 1.097 56.927 55.803 0.045 0.000 0.841 32 Q CB 0.076 28.838 28.738 0.041 0.000 0.915 32 Q HN 0.673 nan 8.270 nan 0.000 0.455 33 K N 0.731 121.157 120.400 0.044 0.000 2.668 33 K HA 0.290 4.611 4.320 0.001 0.000 0.246 33 K C -1.400 175.225 176.600 0.041 0.000 0.976 33 K CA 0.048 56.357 56.287 0.036 0.000 0.902 33 K CB 1.395 33.913 32.500 0.030 0.000 1.172 33 K HN -0.176 nan 8.250 nan 0.000 0.452 34 T N 2.834 117.413 114.554 0.042 0.000 2.795 34 T HA 0.313 4.663 4.350 0.001 0.000 0.282 34 T C -0.615 174.101 174.700 0.027 0.000 0.980 34 T CA -0.465 61.670 62.100 0.058 0.000 1.012 34 T CB 1.332 70.260 68.868 0.101 0.000 0.936 34 T HN 0.248 nan 8.240 nan 0.000 0.457 35 V N 4.513 124.433 119.914 0.011 0.000 2.370 35 V HA 0.417 4.537 4.120 0.001 0.000 0.279 35 V C -0.058 175.966 176.094 -0.117 0.000 1.029 35 V CA -0.698 61.577 62.300 -0.042 0.000 0.870 35 V CB 1.489 33.293 31.823 -0.032 0.000 0.984 35 V HN 0.668 nan 8.190 nan 0.000 0.451 36 V N 4.012 123.805 119.914 -0.201 0.000 2.398 36 V HA 0.492 4.612 4.120 0.001 0.000 0.286 36 V C 0.224 176.136 176.094 -0.302 0.000 1.026 36 V CA -0.276 61.782 62.300 -0.404 0.000 0.868 36 V CB 1.899 33.422 31.823 -0.500 0.000 0.982 36 V HN 0.919 nan 8.190 nan 0.000 0.443 37 T N 4.385 118.750 114.554 -0.314 0.000 2.791 37 T HA 0.699 5.049 4.350 0.001 0.000 0.288 37 T C -0.131 174.438 174.700 -0.219 0.000 0.999 37 T CA -0.284 61.692 62.100 -0.206 0.000 0.952 37 T CB 1.402 70.178 68.868 -0.154 0.000 0.938 37 T HN 0.899 nan 8.240 nan 0.000 0.444 38 A N 3.272 125.992 122.820 -0.167 0.000 2.311 38 A HA 0.720 5.041 4.320 0.001 0.000 0.306 38 A C -0.518 177.017 177.584 -0.081 0.000 1.189 38 A CA -0.636 51.319 52.037 -0.137 0.000 0.791 38 A CB 0.867 19.793 19.000 -0.123 0.000 1.172 38 A HN 0.663 nan 8.150 nan 0.000 0.481 39 V N 2.872 122.738 119.914 -0.081 0.000 2.334 39 V HA 0.448 4.568 4.120 0.001 0.000 0.281 39 V C 0.116 176.172 176.094 -0.063 0.000 1.016 39 V CA -0.234 62.029 62.300 -0.062 0.000 0.832 39 V CB 1.052 32.836 31.823 -0.064 0.000 0.999 39 V HN 0.856 nan 8.190 nan 0.000 0.439 40 S N 4.212 119.884 115.700 -0.046 0.000 2.501 40 S HA 0.540 5.011 4.470 0.001 0.000 0.301 40 S C -0.651 173.884 174.600 -0.109 0.000 1.096 40 S CA -0.801 57.364 58.200 -0.059 0.000 1.063 40 S CB 1.712 64.911 63.200 -0.002 0.000 1.042 40 S HN 0.648 nan 8.310 nan 0.000 0.494 41 Q N 1.875 121.597 119.800 -0.129 0.000 2.360 41 Q HA 0.592 4.933 4.340 0.001 0.000 0.254 41 Q C -0.433 175.416 176.000 -0.252 0.000 0.975 41 Q CA -0.272 55.425 55.803 -0.177 0.000 0.912 41 Q CB 1.314 29.982 28.738 -0.116 0.000 1.212 41 Q HN 0.734 nan 8.270 nan 0.000 0.452 42 A N 2.169 124.696 122.820 -0.489 0.000 2.320 42 A HA 0.816 5.137 4.320 0.001 0.000 0.334 42 A C -0.624 176.680 177.584 -0.468 0.000 1.147 42 A CA -0.586 51.119 52.037 -0.552 0.000 0.820 42 A CB 1.277 19.729 19.000 -0.913 0.000 1.218 42 A HN 0.421 nan 8.150 nan 0.000 0.482 43 V N 1.859 121.685 119.914 -0.148 0.000 2.569 43 V HA 0.408 4.528 4.120 0.001 0.000 0.301 43 V C 0.053 176.202 176.094 0.091 0.000 1.044 43 V CA -0.633 61.645 62.300 -0.038 0.000 0.874 43 V CB 1.594 33.413 31.823 -0.007 0.000 1.002 43 V HN 1.011 nan 8.190 nan 0.000 0.424 44 R N 2.749 123.241 120.500 -0.014 0.000 2.340 44 R HA 0.381 4.722 4.340 0.001 0.000 0.300 44 R C 0.378 176.529 176.300 -0.247 0.000 1.069 44 R CA -0.115 55.804 56.100 -0.302 0.000 0.984 44 R CB 0.469 30.541 30.300 -0.381 0.000 1.003 44 R HN 0.862 nan 8.270 nan 0.000 0.459 45 H N 1.880 120.778 119.070 -0.285 0.000 3.017 45 H HA 0.143 4.700 4.556 0.001 0.000 0.255 45 H C 0.876 176.113 175.328 -0.152 0.000 0.990 45 H CA 0.384 56.338 56.048 -0.157 0.000 1.205 45 H CB 1.274 30.976 29.762 -0.099 0.000 1.460 45 H HN 0.751 nan 8.280 nan 0.000 0.478 46 G N 0.743 109.479 108.800 -0.107 0.000 2.531 46 G HA2 0.431 4.392 3.960 0.001 0.000 0.253 46 G HA3 0.431 4.392 3.960 0.001 0.000 0.253 46 G C -0.184 174.659 174.900 -0.095 0.000 1.439 46 G CA 0.051 45.098 45.100 -0.089 0.000 1.056 46 G HN 0.290 nan 8.290 nan 0.000 0.555 47 A N -0.646 122.141 122.820 -0.054 0.000 2.531 47 A HA 0.388 4.709 4.320 0.001 0.000 0.236 47 A C 1.855 179.420 177.584 -0.032 0.000 1.062 47 A CA 0.743 52.763 52.037 -0.030 0.000 0.760 47 A CB 0.174 19.172 19.000 -0.003 0.000 0.995 47 A HN 1.461 nan 8.150 nan 0.000 0.501 48 S N 0.836 116.527 115.700 -0.014 0.000 2.442 48 S HA -0.167 4.304 4.470 0.001 0.000 0.236 48 S C 0.904 175.531 174.600 0.045 0.000 1.007 48 S CA 1.353 59.558 58.200 0.008 0.000 0.965 48 S CB -0.288 62.919 63.200 0.013 0.000 0.773 48 S HN 0.853 nan 8.310 nan 0.000 0.504 49 D N 1.507 121.934 120.400 0.045 0.000 2.340 49 D HA 0.324 4.965 4.640 0.001 0.000 0.217 49 D C 0.477 176.831 176.300 0.089 0.000 1.081 49 D CA 0.106 54.144 54.000 0.064 0.000 0.842 49 D CB -0.239 40.588 40.800 0.045 0.000 0.934 49 D HN 0.489 nan 8.370 nan 0.000 0.511 50 A N 2.077 124.958 122.820 0.101 0.000 2.401 50 A HA 0.475 4.795 4.320 0.001 0.000 0.259 50 A C -2.148 175.600 177.584 0.275 0.000 1.103 50 A CA -0.975 51.151 52.037 0.149 0.000 0.789 50 A CB 0.205 19.272 19.000 0.112 0.000 1.035 50 A HN 0.128 nan 8.150 nan 0.000 0.491 51 P HA 0.340 nan 4.420 nan 0.000 0.278 51 P C -0.852 176.538 177.300 0.149 0.000 1.258 51 P CA -0.566 62.632 63.100 0.165 0.000 0.811 51 P CB 1.031 32.790 31.700 0.097 0.000 1.063 52 L N 2.601 123.737 121.223 -0.145 0.000 2.281 52 L HA 0.326 4.666 4.340 0.001 0.000 0.285 52 L C 0.097 176.887 176.870 -0.133 0.000 1.074 52 L CA -0.073 54.537 54.840 -0.384 0.000 0.817 52 L CB -0.008 41.636 42.059 -0.692 0.000 1.168 52 L HN 0.246 nan 8.230 nan 0.000 0.434 53 R N 6.366 126.842 120.500 -0.041 0.000 2.246 53 R HA 0.528 4.868 4.340 0.001 0.000 0.332 53 R C -1.173 175.128 176.300 0.003 0.000 0.974 53 R CA -0.540 55.559 56.100 -0.001 0.000 0.837 53 R CB 0.848 31.177 30.300 0.047 0.000 1.145 53 R HN 0.626 nan 8.270 nan 0.000 0.467 54 L N 3.052 124.272 121.223 -0.005 0.000 2.309 54 L HA 0.377 4.717 4.340 0.001 0.000 0.282 54 L C -0.098 176.883 176.870 0.185 0.000 1.036 54 L CA -0.900 53.979 54.840 0.066 0.000 0.806 54 L CB 1.522 43.609 42.059 0.047 0.000 1.220 54 L HN 0.533 nan 8.230 nan 0.000 0.429 55 N N 1.075 119.906 118.700 0.218 0.000 2.529 55 N HA 0.645 5.386 4.740 0.001 0.000 0.278 55 N C -0.216 175.435 175.510 0.234 0.000 1.146 55 N CA -0.261 52.919 53.050 0.217 0.000 0.980 55 N CB 1.457 40.054 38.487 0.184 0.000 1.124 55 N HN 0.752 nan 8.380 nan 0.000 0.458 56 G N 0.410 109.280 108.800 0.117 0.000 2.766 56 G HA2 0.401 4.361 3.960 0.001 0.000 0.297 56 G HA3 0.401 4.361 3.960 0.001 0.000 0.297 56 G C -1.624 173.114 174.900 -0.271 0.000 1.431 56 G CA -0.519 44.415 45.100 -0.276 0.000 1.042 56 G HN 0.315 nan 8.290 nan 0.000 0.542 57 E N 1.820 121.755 120.200 -0.441 0.000 2.263 57 E HA 0.348 4.698 4.350 0.001 0.000 0.268 57 E C -1.001 175.372 176.600 -0.379 0.000 0.884 57 E CA -0.566 55.558 56.400 -0.459 0.000 0.766 57 E CB 2.085 31.262 29.700 -0.873 0.000 1.196 57 E HN 0.554 nan 8.360 nan 0.000 0.416 58 D N 1.607 121.889 120.400 -0.196 0.000 2.705 58 D HA -0.191 4.450 4.640 0.001 0.000 0.240 58 D C -0.608 175.618 176.300 -0.124 0.000 1.137 58 D CA 0.934 54.873 54.000 -0.102 0.000 0.677 58 D CB -1.230 39.557 40.800 -0.021 0.000 1.049 58 D HN 0.309 nan 8.370 nan 0.000 0.427 59 L N -0.672 120.444 121.223 -0.178 0.000 2.342 59 L HA 0.459 4.799 4.340 0.001 0.000 0.271 59 L C 0.699 177.516 176.870 -0.089 0.000 1.008 59 L CA -0.970 53.752 54.840 -0.196 0.000 0.818 59 L CB 2.173 43.974 42.059 -0.430 0.000 1.296 59 L HN -0.168 nan 8.230 nan 0.000 0.427 60 K N 2.904 123.272 120.400 -0.055 0.000 2.347 60 K HA 0.351 4.672 4.320 0.001 0.000 0.262 60 K C -0.945 175.660 176.600 0.008 0.000 1.052 60 K CA -0.781 55.504 56.287 -0.003 0.000 0.946 60 K CB 1.025 33.525 32.500 -0.000 0.000 1.220 60 K HN 0.400 nan 8.250 nan 0.000 0.450 61 L N 5.497 126.753 121.223 0.056 0.000 2.410 61 L HA 0.042 4.382 4.340 0.001 0.000 0.273 61 L C 0.339 177.216 176.870 0.012 0.000 1.144 61 L CA 0.547 55.416 54.840 0.047 0.000 0.863 61 L CB 1.334 43.423 42.059 0.051 0.000 1.140 61 L HN 0.597 nan 8.230 nan 0.000 0.463 62 V N 2.704 122.612 119.914 -0.010 0.000 2.690 62 V HA 0.285 4.405 4.120 0.001 0.000 0.240 62 V C 0.590 176.684 176.094 0.000 0.000 1.078 62 V CA 1.071 63.373 62.300 0.004 0.000 1.102 62 V CB 0.160 31.984 31.823 0.001 0.000 0.800 62 V HN 0.945 nan 8.190 nan 0.000 0.479 63 S N -1.474 114.205 115.700 -0.035 0.000 2.567 63 S HA 0.682 5.152 4.470 0.001 0.000 0.270 63 S C -1.440 173.086 174.600 -0.123 0.000 1.152 63 S CA -0.642 57.528 58.200 -0.049 0.000 0.835 63 S CB 2.223 65.478 63.200 0.091 0.000 1.115 63 S HN -0.033 nan 8.310 nan 0.000 0.459 64 V N 2.872 122.644 119.914 -0.236 0.000 2.525 64 V HA 0.592 4.712 4.120 0.001 0.000 0.299 64 V C -0.957 175.007 176.094 -0.217 0.000 1.034 64 V CA -0.374 61.770 62.300 -0.260 0.000 0.863 64 V CB 1.442 32.925 31.823 -0.566 0.000 0.999 64 V HN 0.987 nan 8.190 nan 0.000 0.423 65 H N 4.882 123.925 119.070 -0.045 0.000 2.690 65 H HA 0.584 5.141 4.556 0.001 0.000 0.368 65 H C -1.322 173.967 175.328 -0.066 0.000 1.150 65 H CA -0.746 55.313 56.048 0.019 0.000 1.174 65 H CB 3.006 32.778 29.762 0.017 0.000 1.684 65 H HN 0.335 nan 8.280 nan 0.000 0.538 66 I N 2.815 123.413 120.570 0.047 0.000 2.410 66 I HA 0.044 4.214 4.170 0.001 0.000 0.286 66 I C 0.175 176.305 176.117 0.022 0.000 1.009 66 I CA -0.631 60.570 61.300 -0.164 0.000 1.111 66 I CB 0.942 38.459 38.000 -0.806 0.000 1.262 66 I HN 0.682 nan 8.210 nan 0.000 0.443 67 N N 5.288 124.023 118.700 0.058 0.000 2.727 67 N HA -0.210 4.530 4.740 0.001 0.000 0.249 67 N C 0.165 175.728 175.510 0.088 0.000 1.048 67 N CA 1.179 54.273 53.050 0.074 0.000 0.714 67 N CB -0.715 37.820 38.487 0.081 0.000 0.959 67 N HN 0.722 nan 8.380 nan 0.000 0.544 68 D N -2.462 117.996 120.400 0.097 0.000 2.946 68 D HA -0.226 4.414 4.640 0.001 0.000 0.202 68 D C 0.156 176.604 176.300 0.246 0.000 1.068 68 D CA 1.687 55.744 54.000 0.095 0.000 1.011 68 D CB -0.742 40.073 40.800 0.025 0.000 1.105 68 D HN 0.740 nan 8.370 nan 0.000 0.425 69 E N 1.394 121.756 120.200 0.270 0.000 2.167 69 E HA 0.410 4.761 4.350 0.001 0.000 0.284 69 E C -2.725 174.053 176.600 0.296 0.000 1.016 69 E CA -2.003 54.566 56.400 0.282 0.000 0.817 69 E CB 1.146 31.006 29.700 0.268 0.000 1.080 69 E HN -0.148 nan 8.360 nan 0.000 0.397 70 P HA -0.051 nan 4.420 nan 0.000 0.263 70 P C -0.997 176.367 177.300 0.106 0.000 1.195 70 P CA 0.192 63.209 63.100 -0.140 0.000 0.762 70 P CB 0.257 31.905 31.700 -0.087 0.000 0.799 71 W N 3.864 125.099 121.300 -0.108 0.000 2.351 71 W HA 0.129 4.789 4.660 0.001 0.000 0.311 71 W C 0.697 177.345 176.519 0.217 0.000 1.168 71 W CA -0.226 57.146 57.345 0.045 0.000 1.200 71 W CB 1.444 30.925 29.460 0.034 0.000 1.221 71 W HN 0.380 nan 8.180 nan 0.000 0.519 72 T N 0.983 115.344 114.554 -0.320 0.000 3.001 72 T HA 0.195 4.545 4.350 0.001 0.000 0.251 72 T C 0.716 175.151 174.700 -0.440 0.000 1.040 72 T CA 0.082 61.998 62.100 -0.306 0.000 0.985 72 T CB 0.401 69.073 68.868 -0.326 0.000 1.011 72 T HN 0.379 nan 8.240 nan 0.000 0.509 73 A N 2.752 125.218 122.820 -0.590 0.000 3.126 73 A HA 0.579 4.899 4.320 0.001 0.000 0.268 73 A C -0.112 177.594 177.584 0.204 0.000 1.605 73 A CA -1.096 50.780 52.037 -0.269 0.000 1.305 73 A CB -0.885 17.941 19.000 -0.290 0.000 1.160 73 A HN 0.694 nan 8.150 nan 0.000 0.609 74 W N -0.251 121.063 121.300 0.024 0.000 3.074 74 W HA 0.734 5.395 4.660 0.001 0.000 0.332 74 W C -1.629 174.878 176.519 -0.021 0.000 1.253 74 W CA -1.065 56.307 57.345 0.044 0.000 1.180 74 W CB 0.741 30.247 29.460 0.078 0.000 1.445 74 W HN 0.160 nan 8.180 nan 0.000 0.573 75 K N 1.367 121.946 120.400 0.298 0.000 2.523 75 K HA 0.302 4.623 4.320 0.001 0.000 0.257 75 K C -1.078 175.684 176.600 0.270 0.000 0.932 75 K CA -0.794 55.568 56.287 0.125 0.000 0.812 75 K CB 3.402 35.899 32.500 -0.005 0.000 1.326 75 K HN 0.376 nan 8.250 nan 0.000 0.433 76 E N 2.008 122.369 120.200 0.267 0.000 2.216 76 E HA 0.216 4.567 4.350 0.001 0.000 0.279 76 E C -0.737 175.933 176.600 0.116 0.000 0.997 76 E CA -0.331 56.182 56.400 0.190 0.000 0.817 76 E CB 1.518 31.365 29.700 0.246 0.000 1.096 76 E HN 0.379 nan 8.360 nan 0.000 0.393 77 E N 1.321 121.580 120.200 0.098 0.000 2.431 77 E HA 0.139 4.490 4.350 0.001 0.000 0.268 77 E C -1.037 175.615 176.600 0.086 0.000 0.953 77 E CA -1.043 55.403 56.400 0.077 0.000 0.810 77 E CB 1.086 30.823 29.700 0.062 0.000 1.369 77 E HN 0.269 nan 8.360 nan 0.000 0.440 78 E N 0.285 120.525 120.200 0.067 0.000 2.606 78 E HA 0.063 4.413 4.350 0.001 0.000 0.248 78 E C 0.581 177.224 176.600 0.072 0.000 1.005 78 E CA 1.405 57.841 56.400 0.061 0.000 0.946 78 E CB -0.339 29.387 29.700 0.044 0.000 0.928 78 E HN 0.715 nan 8.360 nan 0.000 0.494 79 G N 2.653 111.498 108.800 0.076 0.000 2.187 79 G HA2 -0.115 3.845 3.960 0.001 0.000 0.261 79 G HA3 -0.115 3.845 3.960 0.001 0.000 0.261 79 G C 0.219 175.205 174.900 0.143 0.000 1.000 79 G CA 0.567 45.714 45.100 0.078 0.000 0.718 79 G HN 1.107 nan 8.290 nan 0.000 0.519 80 A N -1.628 121.305 122.820 0.188 0.000 2.610 80 A HA 0.869 5.189 4.320 0.001 0.000 0.291 80 A C -1.382 176.245 177.584 0.071 0.000 1.086 80 A CA -0.229 51.921 52.037 0.188 0.000 0.677 80 A CB 1.626 20.689 19.000 0.106 0.000 1.278 80 A HN 1.616 nan 8.150 nan 0.000 0.414 81 L N 1.251 122.390 121.223 -0.141 0.000 2.372 81 L HA 0.695 5.035 4.340 0.001 0.000 0.273 81 L C -1.362 175.419 176.870 -0.149 0.000 0.989 81 L CA -0.380 54.235 54.840 -0.375 0.000 0.841 81 L CB 1.565 42.950 42.059 -1.124 0.000 1.225 81 L HN 0.454 nan 8.230 nan 0.000 0.414 82 V N 6.790 126.696 119.914 -0.013 0.000 2.350 82 V HA 0.462 4.583 4.120 0.001 0.000 0.276 82 V C 0.218 176.362 176.094 0.084 0.000 1.028 82 V CA -0.315 62.001 62.300 0.026 0.000 0.860 82 V CB 1.176 33.030 31.823 0.052 0.000 0.990 82 V HN 0.594 nan 8.190 nan 0.000 0.453 83 I N 4.050 124.634 120.570 0.025 0.000 2.339 83 I HA 0.440 4.611 4.170 0.001 0.000 0.290 83 I C 0.355 176.519 176.117 0.079 0.000 0.994 83 I CA 0.125 61.472 61.300 0.078 0.000 1.191 83 I CB 1.700 39.625 38.000 -0.125 0.000 1.343 83 I HN 0.539 nan 8.210 nan 0.000 0.458 84 S N 3.791 119.626 115.700 0.225 0.000 2.722 84 S HA 0.366 4.836 4.470 0.001 0.000 0.292 84 S C 0.054 174.826 174.600 0.287 0.000 1.135 84 S CA -0.760 57.554 58.200 0.190 0.000 1.003 84 S CB 1.030 64.309 63.200 0.131 0.000 1.067 84 S HN 0.828 nan 8.310 nan 0.000 0.546 85 N N -0.002 118.815 118.700 0.194 0.000 2.714 85 N HA -0.165 4.575 4.740 0.001 0.000 0.253 85 N C -1.192 174.474 175.510 0.261 0.000 1.024 85 N CA 0.036 53.209 53.050 0.205 0.000 0.726 85 N CB -1.488 37.100 38.487 0.168 0.000 0.908 85 N HN 0.351 nan 8.380 nan 0.000 0.542 86 L N -0.332 120.941 121.223 0.084 0.000 2.352 86 L HA 0.656 4.996 4.340 0.001 0.000 0.269 86 L C -1.567 175.291 176.870 -0.020 0.000 1.034 86 L CA -1.933 52.806 54.840 -0.170 0.000 0.806 86 L CB 0.688 42.429 42.059 -0.529 0.000 1.244 86 L HN -0.078 nan 8.230 nan 0.000 0.447 87 P HA 0.071 nan 4.420 nan 0.000 0.275 87 P C 0.198 177.673 177.300 0.291 0.000 1.266 87 P CA -0.507 62.670 63.100 0.128 0.000 0.793 87 P CB 0.634 32.419 31.700 0.141 0.000 1.074 88 E N 0.019 120.345 120.200 0.210 0.000 2.152 88 E HA -0.103 4.248 4.350 0.001 0.000 0.192 88 E C -0.071 176.644 176.600 0.192 0.000 0.983 88 E CA 0.879 57.380 56.400 0.168 0.000 0.818 88 E CB 0.237 29.971 29.700 0.057 0.000 0.758 88 E HN 0.272 nan 8.360 nan 0.000 0.467 89 R N -0.507 120.112 120.500 0.199 0.000 2.621 89 R HA 0.432 4.773 4.340 0.001 0.000 0.284 89 R C -1.258 175.142 176.300 0.166 0.000 0.998 89 R CA -0.602 55.531 56.100 0.055 0.000 0.895 89 R CB 1.561 31.861 30.300 -0.001 0.000 1.195 89 R HN 0.009 nan 8.270 nan 0.000 0.450 90 F N -2.408 117.533 119.950 -0.015 0.000 2.807 90 F HA 0.463 4.990 4.527 0.001 0.000 0.316 90 F C -1.277 174.485 175.800 -0.064 0.000 1.162 90 F CA -1.060 56.910 58.000 -0.051 0.000 0.910 90 F CB 1.404 40.344 39.000 -0.101 0.000 1.314 90 F HN 0.145 nan 8.300 nan 0.000 0.454 91 T N 3.076 117.715 114.554 0.142 0.000 2.756 91 T HA 0.563 4.913 4.350 0.001 0.000 0.290 91 T C -1.044 173.737 174.700 0.135 0.000 0.985 91 T CA -0.321 61.806 62.100 0.045 0.000 0.955 91 T CB 1.033 69.912 68.868 0.020 0.000 0.930 91 T HN 0.733 nan 8.240 nan 0.000 0.451 92 L N 3.773 125.048 121.223 0.088 0.000 2.289 92 L HA 0.637 4.978 4.340 0.001 0.000 0.285 92 L C -0.195 176.683 176.870 0.012 0.000 1.049 92 L CA -0.226 54.659 54.840 0.075 0.000 0.804 92 L CB 0.833 42.943 42.059 0.086 0.000 1.195 92 L HN 0.480 nan 8.230 nan 0.000 0.428 93 K N 6.064 126.470 120.400 0.010 0.000 2.502 93 K HA 0.538 4.858 4.320 0.001 0.000 0.254 93 K C -1.650 174.953 176.600 0.005 0.000 0.947 93 K CA -0.628 55.659 56.287 0.001 0.000 0.834 93 K CB 0.962 33.459 32.500 -0.006 0.000 1.112 93 K HN 0.578 nan 8.250 nan 0.000 0.427 94 I N 6.015 126.570 120.570 -0.026 0.000 2.433 94 I HA 0.422 4.592 4.170 0.001 0.000 0.292 94 I C -0.226 175.860 176.117 -0.052 0.000 1.001 94 I CA -0.861 60.416 61.300 -0.037 0.000 1.119 94 I CB 1.665 39.656 38.000 -0.015 0.000 1.289 94 I HN 0.636 nan 8.210 nan 0.000 0.438 95 I N 7.039 127.584 120.570 -0.042 0.000 2.436 95 I HA 0.386 4.557 4.170 0.001 0.000 0.289 95 I C -0.420 175.664 176.117 -0.055 0.000 1.010 95 I CA -0.489 60.775 61.300 -0.060 0.000 1.098 95 I CB 1.837 39.817 38.000 -0.033 0.000 1.266 95 I HN 0.629 nan 8.210 nan 0.000 0.434 96 N N 4.879 123.529 118.700 -0.083 0.000 2.732 96 N HA 0.473 5.214 4.740 0.001 0.000 0.259 96 N C -1.506 173.954 175.510 -0.083 0.000 1.402 96 N CA -0.900 52.107 53.050 -0.072 0.000 0.829 96 N CB 2.394 40.829 38.487 -0.088 0.000 1.495 96 N HN 0.451 nan 8.380 nan 0.000 0.511 97 E N 0.398 120.561 120.200 -0.060 0.000 2.244 97 E HA 0.665 5.016 4.350 0.001 0.000 0.266 97 E C -0.465 176.108 176.600 -0.044 0.000 0.914 97 E CA -0.897 55.477 56.400 -0.043 0.000 0.794 97 E CB 2.610 32.299 29.700 -0.018 0.000 1.210 97 E HN 0.581 nan 8.360 nan 0.000 0.414 98 I N -2.396 118.162 120.570 -0.020 0.000 3.191 98 I HA 0.614 4.785 4.170 0.001 0.000 0.313 98 I C -0.823 175.306 176.117 0.020 0.000 1.193 98 I CA -0.902 60.395 61.300 -0.006 0.000 0.968 98 I CB 2.391 40.390 38.000 -0.001 0.000 1.262 98 I HN 0.327 nan 8.210 nan 0.000 0.456 99 S N 2.652 118.368 115.700 0.028 0.000 2.539 99 S HA 0.510 4.980 4.470 0.001 0.000 0.235 99 S C -2.057 172.570 174.600 0.046 0.000 1.326 99 S CA -1.313 56.908 58.200 0.034 0.000 1.183 99 S CB 0.804 64.020 63.200 0.027 0.000 1.073 99 S HN 0.552 nan 8.310 nan 0.000 0.480 100 P HA -0.110 nan 4.420 nan 0.000 0.216 100 P C 1.435 178.774 177.300 0.065 0.000 1.153 100 P CA 1.425 64.566 63.100 0.067 0.000 0.858 100 P CB 0.161 31.888 31.700 0.045 0.000 0.789 101 A N -0.286 122.561 122.820 0.045 0.000 2.019 101 A HA -0.067 4.254 4.320 0.001 0.000 0.219 101 A C 2.174 179.768 177.584 0.016 0.000 1.164 101 A CA 1.869 53.923 52.037 0.029 0.000 0.644 101 A CB -1.410 17.606 19.000 0.026 0.000 0.805 101 A HN 0.226 nan 8.150 nan 0.000 0.449 102 A N -0.700 122.133 122.820 0.021 0.000 2.251 102 A HA 0.090 4.411 4.320 0.001 0.000 0.209 102 A C 1.046 178.634 177.584 0.007 0.000 1.187 102 A CA 0.106 52.150 52.037 0.011 0.000 0.823 102 A CB -0.357 18.652 19.000 0.015 0.000 0.846 102 A HN 0.369 nan 8.150 nan 0.000 0.486 103 N N 1.541 120.253 118.700 0.020 0.000 2.739 103 N HA 0.016 4.757 4.740 0.001 0.000 0.266 103 N C 1.129 176.609 175.510 -0.051 0.000 1.168 103 N CA 0.863 53.916 53.050 0.006 0.000 1.055 103 N CB 0.448 38.973 38.487 0.064 0.000 1.393 103 N HN 0.407 nan 8.380 nan 0.000 0.514 104 T N -1.243 113.269 114.554 -0.069 0.000 3.067 104 T HA 0.078 4.429 4.350 0.001 0.000 0.261 104 T C 1.590 176.199 174.700 -0.152 0.000 1.110 104 T CA 0.553 62.593 62.100 -0.100 0.000 1.113 104 T CB 0.104 68.933 68.868 -0.066 0.000 0.917 104 T HN 0.250 nan 8.240 nan 0.000 0.499 105 A N 1.774 124.495 122.820 -0.165 0.000 2.167 105 A HA 0.434 4.755 4.320 0.001 0.000 0.214 105 A C 1.429 178.809 177.584 -0.340 0.000 1.151 105 A CA 0.364 52.277 52.037 -0.208 0.000 0.735 105 A CB -0.788 18.106 19.000 -0.178 0.000 0.802 105 A HN 0.705 nan 8.150 nan 0.000 0.467 106 L N -1.343 119.590 121.223 -0.483 0.000 3.634 106 L HA -0.200 4.141 4.340 0.001 0.000 0.423 106 L C -0.006 176.476 176.870 -0.647 0.000 1.253 106 L CA 0.745 54.974 54.840 -1.018 0.000 0.885 106 L CB -2.060 39.377 42.059 -1.037 0.000 1.789 106 L HN 0.676 nan 8.230 nan 0.000 0.904 107 E N 0.347 120.336 120.200 -0.352 0.000 2.216 107 E HA 0.552 4.902 4.350 0.001 0.000 0.260 107 E C 0.654 177.164 176.600 -0.150 0.000 0.880 107 E CA 0.334 56.572 56.400 -0.271 0.000 0.765 107 E CB 1.681 31.121 29.700 -0.433 0.000 1.174 107 E HN 0.305 nan 8.360 nan 0.000 0.417 108 G N 2.975 111.800 108.800 0.041 0.000 2.516 108 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 108 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 108 G C -1.343 173.690 174.900 0.223 0.000 1.165 108 G CA -0.283 44.901 45.100 0.140 0.000 1.013 108 G HN 0.577 nan 8.290 nan 0.000 0.590 109 L N 2.128 123.460 121.223 0.181 0.000 2.264 109 L HA 0.812 5.152 4.340 0.001 0.000 0.289 109 L C -0.025 176.948 176.870 0.172 0.000 1.044 109 L CA -0.815 54.100 54.840 0.125 0.000 0.807 109 L CB 0.289 42.406 42.059 0.097 0.000 1.192 109 L HN 1.071 nan 8.230 nan 0.000 0.425 110 Y N 1.802 122.108 120.300 0.009 0.000 2.705 110 Y HA 0.643 5.194 4.550 0.001 0.000 0.332 110 Y C -0.944 174.956 175.900 0.000 0.000 1.157 110 Y CA -1.253 56.845 58.100 -0.003 0.000 1.091 110 Y CB 0.955 39.407 38.460 -0.014 0.000 1.301 110 Y HN 0.619 nan 8.280 nan 0.000 0.488 111 Q N 1.337 121.241 119.800 0.172 0.000 2.293 111 Q HA 0.520 4.860 4.340 0.001 0.000 0.261 111 Q C -1.369 174.672 176.000 0.069 0.000 0.960 111 Q CA -0.742 55.086 55.803 0.042 0.000 0.882 111 Q CB 1.611 30.363 28.738 0.023 0.000 1.275 111 Q HN 0.752 nan 8.270 nan 0.000 0.445 112 S N 3.254 118.971 115.700 0.029 0.000 2.653 112 S HA 0.625 5.096 4.470 0.001 0.000 0.272 112 S C 0.255 174.945 174.600 0.150 0.000 1.221 112 S CA 0.457 58.746 58.200 0.148 0.000 1.149 112 S CB 0.259 63.650 63.200 0.318 0.000 1.029 112 S HN 1.082 nan 8.310 nan 0.000 0.481 113 G N 4.809 113.615 108.800 0.010 0.000 2.565 113 G HA2 -0.271 3.689 3.960 0.001 0.000 0.295 113 G HA3 -0.271 3.689 3.960 0.001 0.000 0.295 113 G C 0.216 175.142 174.900 0.042 0.000 1.165 113 G CA 0.603 45.772 45.100 0.116 0.000 0.977 113 G HN 0.622 nan 8.290 nan 0.000 0.546 114 D N 1.946 122.378 120.400 0.052 0.000 2.360 114 D HA 0.462 5.103 4.640 0.001 0.000 0.210 114 D C 1.360 177.703 176.300 0.072 0.000 1.047 114 D CA 0.934 54.946 54.000 0.020 0.000 0.854 114 D CB 0.300 41.075 40.800 -0.041 0.000 0.936 114 D HN 0.770 nan 8.370 nan 0.000 0.514 115 A N 0.548 123.424 122.820 0.094 0.000 2.264 115 A HA 0.635 4.955 4.320 0.001 0.000 0.304 115 A C -0.244 177.406 177.584 0.110 0.000 1.100 115 A CA -0.350 51.777 52.037 0.150 0.000 0.839 115 A CB 0.747 19.865 19.000 0.196 0.000 1.121 115 A HN 0.107 nan 8.150 nan 0.000 0.496 116 L N 0.669 121.929 121.223 0.062 0.000 2.341 116 L HA 0.605 4.946 4.340 0.001 0.000 0.278 116 L C -0.291 176.470 176.870 -0.181 0.000 1.005 116 L CA -0.559 54.219 54.840 -0.103 0.000 0.818 116 L CB 1.530 43.477 42.059 -0.187 0.000 1.259 116 L HN 1.034 nan 8.230 nan 0.000 0.418 117 C N -0.312 118.778 119.300 -0.351 0.000 3.332 117 C HA 0.923 5.384 4.460 0.001 0.000 0.329 117 C C 0.049 174.778 174.990 -0.436 0.000 1.434 117 C CA -0.631 58.164 59.018 -0.372 0.000 1.314 117 C CB 1.580 29.127 27.740 -0.323 0.000 1.664 117 C HN 0.862 nan 8.230 nan 0.000 0.457 118 T N -1.017 113.399 114.554 -0.230 0.000 2.930 118 T HA 0.770 5.121 4.350 0.001 0.000 0.290 118 T C -1.102 173.696 174.700 0.162 0.000 1.052 118 T CA -0.203 61.886 62.100 -0.019 0.000 1.017 118 T CB 1.848 70.725 68.868 0.015 0.000 1.137 118 T HN 1.222 nan 8.240 nan 0.000 0.511 119 Q N 0.027 119.975 119.800 0.248 0.000 2.374 119 Q HA 0.477 4.817 4.340 0.001 0.000 0.250 119 Q C -0.755 175.332 176.000 0.145 0.000 0.918 119 Q CA -0.642 55.279 55.803 0.197 0.000 0.778 119 Q CB 0.737 29.545 28.738 0.116 0.000 1.328 119 Q HN 0.847 nan 8.270 nan 0.000 0.445 120 C N 2.429 121.836 119.300 0.179 0.000 2.865 120 C HA 0.302 4.763 4.460 0.001 0.000 0.280 120 C C 0.726 175.839 174.990 0.204 0.000 1.255 120 C CA -0.097 59.070 59.018 0.248 0.000 1.705 120 C CB -0.026 27.947 27.740 0.388 0.000 2.080 120 C HN 0.801 nan 8.230 nan 0.000 0.591 121 E N 0.861 121.137 120.200 0.126 0.000 2.283 121 E HA 0.455 4.805 4.350 0.001 0.000 0.278 121 E C 0.700 177.114 176.600 -0.311 0.000 1.027 121 E CA 0.055 56.432 56.400 -0.038 0.000 0.843 121 E CB 1.278 30.989 29.700 0.019 0.000 1.062 121 E HN 0.333 nan 8.360 nan 0.000 0.401 122 A N 4.638 127.170 122.820 -0.479 0.000 1.861 122 A HA -0.032 4.288 4.320 0.001 0.000 0.212 122 A C 0.830 178.244 177.584 -0.284 0.000 1.199 122 A CA 0.840 52.391 52.037 -0.809 0.000 0.613 122 A CB 0.080 18.349 19.000 -1.219 0.000 0.846 122 A HN 0.741 nan 8.150 nan 0.000 0.446 123 E N -0.737 119.399 120.200 -0.107 0.000 3.846 123 E HA 0.304 4.654 4.350 0.001 0.000 0.216 123 E C 0.719 177.451 176.600 0.221 0.000 1.092 123 E CA 0.096 56.580 56.400 0.139 0.000 1.370 123 E CB 0.643 30.417 29.700 0.124 0.000 1.227 123 E HN 0.462 nan 8.360 nan 0.000 0.442 124 G N 0.106 109.031 108.800 0.208 0.000 2.662 124 G HA2 -0.156 3.805 3.960 0.001 0.000 0.212 124 G HA3 -0.156 3.805 3.960 0.001 0.000 0.212 124 G C 1.055 176.156 174.900 0.336 0.000 1.141 124 G CA -0.181 45.044 45.100 0.208 0.000 0.797 124 G HN 0.322 nan 8.290 nan 0.000 0.531 125 F N 2.832 122.921 119.950 0.232 0.000 2.269 125 F HA -0.050 4.477 4.527 0.001 0.000 0.301 125 F C 2.757 178.653 175.800 0.160 0.000 1.082 125 F CA 1.355 59.473 58.000 0.197 0.000 1.360 125 F CB 0.128 39.239 39.000 0.185 0.000 1.041 125 F HN 0.212 nan 8.300 nan 0.000 0.512 126 R N -0.954 119.690 120.500 0.240 0.000 2.285 126 R HA -0.114 4.226 4.340 0.001 0.000 0.213 126 R C 1.198 177.403 176.300 -0.159 0.000 1.068 126 R CA 1.569 57.696 56.100 0.045 0.000 1.004 126 R CB -1.182 29.176 30.300 0.097 0.000 0.873 126 R HN 0.415 nan 8.270 nan 0.000 0.467 127 H N -0.073 118.944 119.070 -0.088 0.000 2.539 127 H HA 0.198 4.755 4.556 0.001 0.000 0.267 127 H C 1.426 176.663 175.328 -0.152 0.000 0.982 127 H CA 0.570 56.557 56.048 -0.102 0.000 1.146 127 H CB 0.467 30.209 29.762 -0.033 0.000 1.382 127 H HN 0.288 nan 8.280 nan 0.000 0.577 128 I N -0.900 119.563 120.570 -0.178 0.000 3.300 128 I HA 0.008 4.179 4.170 0.001 0.000 0.279 128 I C 0.780 176.660 176.117 -0.395 0.000 1.172 128 I CA 0.488 61.630 61.300 -0.264 0.000 1.431 128 I CB 0.970 38.752 38.000 -0.364 0.000 1.240 128 I HN -0.049 nan 8.210 nan 0.000 0.453 129 T N -1.547 112.693 114.554 -0.522 0.000 2.749 129 T HA 0.357 4.708 4.350 0.001 0.000 0.310 129 T C -1.809 172.735 174.700 -0.259 0.000 1.496 129 T CA -0.439 61.422 62.100 -0.398 0.000 1.006 129 T CB 0.777 69.419 68.868 -0.376 0.000 1.457 129 T HN -0.129 nan 8.240 nan 0.000 0.497 130 Y N 2.284 122.539 120.300 -0.074 0.000 2.496 130 Y HA 0.555 5.105 4.550 0.001 0.000 0.334 130 Y C -0.118 175.880 175.900 0.163 0.000 1.080 130 Y CA 0.399 58.504 58.100 0.008 0.000 1.355 130 Y CB 0.252 38.683 38.460 -0.049 0.000 1.193 130 Y HN 0.573 nan 8.280 nan 0.000 0.523 131 Y N 1.325 121.749 120.300 0.206 0.000 2.725 131 Y HA 0.436 4.986 4.550 0.001 0.000 0.333 131 Y C -1.369 174.651 175.900 0.200 0.000 1.242 131 Y CA -1.694 56.536 58.100 0.216 0.000 1.059 131 Y CB 1.174 39.872 38.460 0.396 0.000 1.306 131 Y HN 0.337 nan 8.280 nan 0.000 0.454 132 L N 3.398 124.329 121.223 -0.486 0.000 2.399 132 L HA 0.171 4.511 4.340 0.001 0.000 0.257 132 L C -0.344 176.571 176.870 0.075 0.000 1.236 132 L CA 0.099 54.803 54.840 -0.228 0.000 1.144 132 L CB -0.315 41.524 42.059 -0.366 0.000 1.379 132 L HN 0.474 nan 8.230 nan 0.000 0.414 133 D N 4.417 125.000 120.400 0.306 0.000 2.671 133 D HA 0.072 4.712 4.640 0.001 0.000 0.228 133 D C 0.071 176.588 176.300 0.362 0.000 1.102 133 D CA -0.064 54.200 54.000 0.440 0.000 1.044 133 D CB 0.102 41.168 40.800 0.442 0.000 1.113 133 D HN 0.428 nan 8.370 nan 0.000 0.480 134 R N 0.777 121.455 120.500 0.296 0.000 2.604 134 R HA 0.417 4.758 4.340 0.001 0.000 0.281 134 R C -2.441 173.952 176.300 0.155 0.000 1.020 134 R CA -1.479 54.753 56.100 0.220 0.000 0.899 134 R CB 1.343 31.731 30.300 0.147 0.000 1.205 134 R HN -0.202 nan 8.270 nan 0.000 0.450 135 P HA -0.145 nan 4.420 nan 0.000 0.231 135 P C -0.146 177.147 177.300 -0.011 0.000 1.158 135 P CA 1.016 64.099 63.100 -0.027 0.000 0.763 135 P CB 0.178 31.617 31.700 -0.435 0.000 0.805 136 D N -0.759 119.644 120.400 0.005 0.000 2.328 136 D HA 0.023 4.664 4.640 0.001 0.000 0.221 136 D C 0.292 176.612 176.300 0.034 0.000 1.072 136 D CA -0.277 53.740 54.000 0.029 0.000 0.850 136 D CB -0.460 40.392 40.800 0.087 0.000 0.922 136 D HN 0.001 nan 8.370 nan 0.000 0.516 137 V N 1.434 121.378 119.914 0.050 0.000 2.311 137 V HA 0.258 4.378 4.120 0.001 0.000 0.275 137 V C -0.604 175.545 176.094 0.090 0.000 1.022 137 V CA -0.731 61.592 62.300 0.038 0.000 0.830 137 V CB 1.126 32.954 31.823 0.008 0.000 1.012 137 V HN 0.014 nan 8.190 nan 0.000 0.452 138 L N 5.162 126.429 121.223 0.074 0.000 2.287 138 L HA 0.849 5.189 4.340 0.001 0.000 0.287 138 L C 0.295 177.239 176.870 0.123 0.000 1.022 138 L CA 0.123 55.026 54.840 0.105 0.000 0.814 138 L CB 1.570 43.672 42.059 0.071 0.000 1.217 138 L HN 0.704 nan 8.230 nan 0.000 0.420 139 A N 3.684 126.629 122.820 0.207 0.000 2.423 139 A HA 0.835 5.156 4.320 0.001 0.000 0.304 139 A C -0.510 177.216 177.584 0.238 0.000 1.104 139 A CA -0.812 51.318 52.037 0.154 0.000 0.757 139 A CB 1.201 20.239 19.000 0.064 0.000 1.313 139 A HN 0.623 nan 8.150 nan 0.000 0.423 140 R N 0.634 121.208 120.500 0.123 0.000 2.216 140 R HA 0.421 4.761 4.340 0.001 0.000 0.332 140 R C -1.518 174.877 176.300 0.159 0.000 1.056 140 R CA 0.060 56.259 56.100 0.164 0.000 0.901 140 R CB 0.441 30.782 30.300 0.068 0.000 1.039 140 R HN 0.538 nan 8.270 nan 0.000 0.456 141 F N 0.760 120.737 119.950 0.045 0.000 2.385 141 F HA 0.309 4.837 4.527 0.001 0.000 0.336 141 F C 0.756 176.624 175.800 0.113 0.000 1.100 141 F CA -0.125 57.919 58.000 0.073 0.000 1.116 141 F CB 1.990 41.056 39.000 0.109 0.000 1.166 141 F HN 0.279 nan 8.300 nan 0.000 0.511 142 T N 1.567 116.283 114.554 0.271 0.000 2.928 142 T HA 0.482 4.832 4.350 0.001 0.000 0.296 142 T C -0.797 174.085 174.700 0.303 0.000 1.000 142 T CA -0.723 61.526 62.100 0.249 0.000 0.989 142 T CB 1.369 70.323 68.868 0.142 0.000 1.005 142 T HN 0.468 nan 8.240 nan 0.000 0.442 143 T N 3.394 118.186 114.554 0.396 0.000 2.847 143 T HA 0.450 4.801 4.350 0.001 0.000 0.291 143 T C -0.512 174.456 174.700 0.447 0.000 0.998 143 T CA -0.778 61.601 62.100 0.464 0.000 0.967 143 T CB 1.367 70.589 68.868 0.589 0.000 0.954 143 T HN 0.422 nan 8.240 nan 0.000 0.441 144 K N 4.164 124.785 120.400 0.369 0.000 2.213 144 K HA 0.626 4.946 4.320 0.001 0.000 0.270 144 K C -1.032 175.786 176.600 0.363 0.000 1.002 144 K CA -0.695 55.791 56.287 0.331 0.000 0.868 144 K CB 0.688 33.283 32.500 0.158 0.000 1.093 144 K HN 0.564 nan 8.250 nan 0.000 0.454 145 I N 6.126 126.908 120.570 0.354 0.000 2.406 145 I HA 0.367 4.537 4.170 0.001 0.000 0.290 145 I C -0.482 175.766 176.117 0.219 0.000 0.999 145 I CA -0.867 60.595 61.300 0.270 0.000 1.124 145 I CB 1.649 39.761 38.000 0.186 0.000 1.289 145 I HN 0.469 nan 8.210 nan 0.000 0.441 146 I N 5.656 126.331 120.570 0.176 0.000 2.406 146 I HA 0.833 5.004 4.170 0.001 0.000 0.290 146 I C -0.052 176.141 176.117 0.127 0.000 0.999 146 I CA -0.309 61.087 61.300 0.159 0.000 1.124 146 I CB 1.847 39.916 38.000 0.116 0.000 1.289 146 I HN 0.724 nan 8.210 nan 0.000 0.441 147 A N 3.905 126.819 122.820 0.156 0.000 2.564 147 A HA 0.436 4.757 4.320 0.001 0.000 0.291 147 A C -1.603 176.196 177.584 0.358 0.000 1.102 147 A CA -0.707 51.466 52.037 0.227 0.000 0.660 147 A CB 1.263 20.366 19.000 0.171 0.000 1.283 147 A HN 0.686 nan 8.150 nan 0.000 0.430 148 D N 0.354 120.981 120.400 0.377 0.000 2.450 148 D HA 0.172 4.813 4.640 0.001 0.000 0.247 148 D C 1.055 177.515 176.300 0.266 0.000 1.162 148 D CA 0.495 54.655 54.000 0.267 0.000 0.879 148 D CB 0.806 41.711 40.800 0.175 0.000 1.163 148 D HN 0.525 nan 8.370 nan 0.000 0.472 149 K N 3.413 123.890 120.400 0.129 0.000 2.097 149 K HA -0.097 4.223 4.320 0.001 0.000 0.205 149 K C 1.705 178.222 176.600 -0.138 0.000 1.050 149 K CA 0.886 57.077 56.287 -0.160 0.000 0.938 149 K CB 0.033 32.301 32.500 -0.386 0.000 0.718 149 K HN 0.602 nan 8.250 nan 0.000 0.442 150 I N 0.807 121.318 120.570 -0.097 0.000 2.252 150 I HA -0.251 3.919 4.170 0.001 0.000 0.245 150 I C 2.521 178.546 176.117 -0.153 0.000 1.102 150 I CA 1.194 62.426 61.300 -0.113 0.000 1.385 150 I CB -0.128 37.818 38.000 -0.089 0.000 1.064 150 I HN 0.182 nan 8.210 nan 0.000 0.414 151 K N 0.320 120.586 120.400 -0.224 0.000 2.167 151 K HA -0.095 4.225 4.320 0.001 0.000 0.203 151 K C -0.161 176.069 176.600 -0.617 0.000 1.052 151 K CA 1.017 57.009 56.287 -0.493 0.000 0.956 151 K CB 0.278 32.337 32.500 -0.734 0.000 0.735 151 K HN 0.196 nan 8.250 nan 0.000 0.451 152 Y N 0.449 120.780 120.300 0.052 0.000 2.658 152 Y HA 0.269 4.819 4.550 0.001 0.000 0.362 152 Y C -2.097 173.908 175.900 0.176 0.000 1.017 152 Y CA -2.574 55.589 58.100 0.106 0.000 1.134 152 Y CB 1.311 39.852 38.460 0.134 0.000 1.144 152 Y HN 0.090 nan 8.280 nan 0.000 0.655 153 P HA -0.122 nan 4.420 nan 0.000 0.223 153 P C -0.194 177.065 177.300 -0.069 0.000 1.151 153 P CA 1.143 64.200 63.100 -0.072 0.000 0.787 153 P CB 0.278 31.830 31.700 -0.247 0.000 0.788 154 F N 0.424 120.560 119.950 0.310 0.000 2.426 154 F HA 0.394 4.922 4.527 0.001 0.000 0.348 154 F C 0.535 176.501 175.800 0.276 0.000 1.124 154 F CA -0.803 57.398 58.000 0.334 0.000 1.008 154 F CB 1.350 40.612 39.000 0.436 0.000 1.139 154 F HN -0.337 nan 8.300 nan 0.000 0.452 155 L N 5.964 127.419 121.223 0.386 0.000 2.345 155 L HA 0.568 4.908 4.340 0.001 0.000 0.274 155 L C -0.965 176.095 176.870 0.316 0.000 0.999 155 L CA -0.426 54.564 54.840 0.250 0.000 0.849 155 L CB 1.197 43.354 42.059 0.163 0.000 1.220 155 L HN 0.502 nan 8.230 nan 0.000 0.422 156 L N 1.861 123.054 121.223 -0.050 0.000 2.342 156 L HA 0.798 5.139 4.340 0.001 0.000 0.271 156 L C -0.032 176.257 176.870 -0.968 0.000 1.008 156 L CA -0.414 54.083 54.840 -0.571 0.000 0.818 156 L CB 2.095 43.770 42.059 -0.640 0.000 1.296 156 L HN 0.538 nan 8.230 nan 0.000 0.427 157 S N 0.166 114.798 115.700 -1.780 0.000 2.688 157 S HA 0.460 4.931 4.470 0.001 0.000 0.275 157 S C -1.253 172.743 174.600 -1.006 0.000 1.175 157 S CA -0.821 56.701 58.200 -1.131 0.000 0.818 157 S CB 1.479 64.301 63.200 -0.629 0.000 1.157 157 S HN 0.722 nan 8.310 nan 0.000 0.482 158 N N 1.052 119.424 118.700 -0.547 0.000 2.454 158 N HA 0.506 5.246 4.740 0.001 0.000 0.254 158 N C 0.743 176.236 175.510 -0.028 0.000 1.228 158 N CA 1.226 54.090 53.050 -0.309 0.000 0.900 158 N CB 0.372 38.709 38.487 -0.248 0.000 1.089 158 N HN 1.084 nan 8.380 nan 0.000 0.449 159 G N 1.032 109.866 108.800 0.056 0.000 2.481 159 G HA2 -0.231 3.729 3.960 0.001 0.000 0.230 159 G HA3 -0.231 3.729 3.960 0.001 0.000 0.230 159 G C -1.036 174.134 174.900 0.449 0.000 1.210 159 G CA -0.610 44.633 45.100 0.238 0.000 0.936 159 G HN 0.632 nan 8.290 nan 0.000 0.583 160 N N 0.545 119.489 118.700 0.408 0.000 2.335 160 N HA 0.518 5.258 4.740 0.001 0.000 0.304 160 N C -0.226 175.274 175.510 -0.016 0.000 1.135 160 N CA -0.700 52.508 53.050 0.263 0.000 0.817 160 N CB 1.574 40.134 38.487 0.122 0.000 1.294 160 N HN 0.583 nan 8.380 nan 0.000 0.497 161 R N 0.775 121.003 120.500 -0.454 0.000 2.316 161 R HA 0.159 4.499 4.340 0.001 0.000 0.314 161 R C 1.057 177.169 176.300 -0.313 0.000 1.069 161 R CA -0.170 55.485 56.100 -0.741 0.000 0.959 161 R CB 0.539 30.362 30.300 -0.795 0.000 0.987 161 R HN 0.449 nan 8.270 nan 0.000 0.446 162 V N -0.924 118.857 119.914 -0.222 0.000 3.605 162 V HA 0.528 4.648 4.120 0.001 0.000 0.284 162 V C 0.320 176.374 176.094 -0.067 0.000 1.386 162 V CA 0.313 62.559 62.300 -0.091 0.000 1.053 162 V CB 0.380 32.196 31.823 -0.011 0.000 0.857 162 V HN 0.692 nan 8.190 nan 0.000 0.436 163 A N 0.779 123.532 122.820 -0.112 0.000 2.608 163 A HA 0.806 5.126 4.320 0.001 0.000 0.292 163 A C -1.370 176.010 177.584 -0.340 0.000 1.066 163 A CA -0.277 51.706 52.037 -0.089 0.000 0.676 163 A CB 1.580 20.699 19.000 0.198 0.000 1.277 163 A HN 0.736 nan 8.150 nan 0.000 0.413 164 Q N 0.313 119.699 119.800 -0.690 0.000 2.594 164 Q HA 0.660 5.000 4.340 0.001 0.000 0.278 164 Q C -0.476 174.731 176.000 -1.323 0.000 0.961 164 Q CA -0.583 54.564 55.803 -1.094 0.000 0.844 164 Q CB 1.460 29.867 28.738 -0.552 0.000 1.475 164 Q HN 2.129 nan 8.270 nan 0.000 0.389 165 G N 0.722 108.502 108.800 -1.699 0.000 2.608 165 G HA2 0.516 4.476 3.960 0.001 0.000 0.291 165 G HA3 0.516 4.476 3.960 0.001 0.000 0.291 165 G C -1.613 173.015 174.900 -0.454 0.000 1.425 165 G CA -0.607 43.954 45.100 -0.898 0.000 0.787 165 G HN 0.435 nan 8.290 nan 0.000 0.484 166 E N -0.408 119.767 120.200 -0.042 0.000 2.221 166 E HA 0.680 5.030 4.350 0.001 0.000 0.268 166 E C -0.666 176.059 176.600 0.208 0.000 0.933 166 E CA -0.523 55.934 56.400 0.094 0.000 0.809 166 E CB 2.604 32.328 29.700 0.040 0.000 1.190 166 E HN 0.337 nan 8.360 nan 0.000 0.406 167 L N 0.402 121.751 121.223 0.211 0.000 2.303 167 L HA 0.348 4.688 4.340 0.001 0.000 0.256 167 L C 0.545 177.487 176.870 0.120 0.000 1.034 167 L CA -1.055 53.897 54.840 0.186 0.000 0.832 167 L CB 1.584 43.774 42.059 0.219 0.000 1.403 167 L HN 0.547 nan 8.230 nan 0.000 0.419 168 E N -0.283 119.973 120.200 0.093 0.000 2.391 168 E HA 0.103 4.453 4.350 0.001 0.000 0.255 168 E C -0.566 176.075 176.600 0.067 0.000 1.187 168 E CA -0.482 55.957 56.400 0.066 0.000 0.941 168 E CB 0.228 29.959 29.700 0.052 0.000 1.010 168 E HN 0.608 nan 8.360 nan 0.000 0.458 169 N N 0.104 118.835 118.700 0.051 0.000 2.747 169 N HA -0.194 4.546 4.740 0.001 0.000 0.249 169 N C 0.618 176.161 175.510 0.055 0.000 1.107 169 N CA 1.200 54.279 53.050 0.048 0.000 0.707 169 N CB -1.740 36.778 38.487 0.051 0.000 1.054 169 N HN 1.039 nan 8.380 nan 0.000 0.555 170 G N -0.596 108.234 108.800 0.050 0.000 2.225 170 G HA2 -0.380 3.580 3.960 0.001 0.000 0.267 170 G HA3 -0.380 3.580 3.960 0.001 0.000 0.267 170 G C 0.205 175.154 174.900 0.081 0.000 1.024 170 G CA 1.000 46.126 45.100 0.043 0.000 0.784 170 G HN 0.632 nan 8.290 nan 0.000 0.507 171 R N -0.092 120.486 120.500 0.130 0.000 2.720 171 R HA 0.807 5.148 4.340 0.001 0.000 0.272 171 R C 0.410 176.891 176.300 0.303 0.000 0.991 171 R CA -0.549 55.682 56.100 0.219 0.000 1.010 171 R CB 1.228 31.645 30.300 0.195 0.000 1.141 171 R HN 0.618 nan 8.270 nan 0.000 0.494 172 H N -0.580 118.585 119.070 0.159 0.000 2.990 172 H HA 0.460 5.017 4.556 0.001 0.000 0.343 172 H C -1.526 173.963 175.328 0.268 0.000 1.270 172 H CA -1.191 54.947 56.048 0.150 0.000 1.118 172 H CB 1.299 31.073 29.762 0.020 0.000 1.861 172 H HN 0.782 nan 8.280 nan 0.000 0.544 173 W N 0.292 121.506 121.300 -0.142 0.000 3.118 173 W HA 0.676 5.337 4.660 0.000 0.000 0.328 173 W C -2.212 174.224 176.519 -0.139 0.000 1.239 173 W CA -1.106 56.129 57.345 -0.183 0.000 1.176 173 W CB 0.776 30.211 29.460 -0.042 0.000 1.433 173 W HN 0.454 nan 8.180 nan 0.000 0.562 174 V N 1.511 121.509 119.914 0.139 0.000 2.888 174 V HA 0.361 4.482 4.120 0.001 0.000 0.309 174 V C -0.766 175.465 176.094 0.228 0.000 1.114 174 V CA -0.693 61.597 62.300 -0.016 0.000 0.940 174 V CB 1.890 33.689 31.823 -0.040 0.000 1.021 174 V HN 0.623 nan 8.190 nan 0.000 0.426 175 Q N 2.031 121.883 119.800 0.085 0.000 2.340 175 Q HA 0.537 4.877 4.340 0.001 0.000 0.268 175 Q C -2.068 173.893 176.000 -0.065 0.000 1.031 175 Q CA -0.543 55.378 55.803 0.197 0.000 0.804 175 Q CB 2.055 30.982 28.738 0.316 0.000 1.286 175 Q HN 0.703 nan 8.270 nan 0.000 0.448 176 W N 1.867 123.255 121.300 0.147 0.000 2.689 176 W HA 0.461 5.122 4.660 0.001 0.000 0.340 176 W C -0.339 176.253 176.519 0.122 0.000 1.060 176 W CA -0.485 56.927 57.345 0.111 0.000 1.218 176 W CB 1.664 31.176 29.460 0.086 0.000 1.410 176 W HN 0.398 nan 8.180 nan 0.000 0.528 177 Q N 2.700 122.694 119.800 0.323 0.000 2.323 177 Q HA 0.188 4.529 4.340 0.001 0.000 0.271 177 Q C -1.908 174.217 176.000 0.209 0.000 1.048 177 Q CA -0.451 55.488 55.803 0.227 0.000 0.792 177 Q CB 2.365 31.182 28.738 0.132 0.000 1.280 177 Q HN 0.519 nan 8.270 nan 0.000 0.441 178 D N 5.592 126.106 120.400 0.190 0.000 2.440 178 D HA 0.310 4.950 4.640 0.001 0.000 0.239 178 D C -1.711 174.645 176.300 0.092 0.000 1.084 178 D CA -1.938 52.151 54.000 0.149 0.000 0.843 178 D CB 1.828 42.710 40.800 0.136 0.000 1.097 178 D HN 0.301 nan 8.370 nan 0.000 0.531 179 P HA -0.043 nan 4.420 nan 0.000 0.223 179 P C 0.268 177.415 177.300 -0.254 0.000 1.151 179 P CA 0.232 63.223 63.100 -0.182 0.000 0.787 179 P CB 0.083 31.577 31.700 -0.343 0.000 0.788 180 F N 1.956 121.891 119.950 -0.025 0.000 2.445 180 F HA 0.320 4.847 4.527 0.001 0.000 0.359 180 F C -1.724 174.066 175.800 -0.017 0.000 1.101 180 F CA -2.506 55.464 58.000 -0.050 0.000 1.177 180 F CB -0.424 38.505 39.000 -0.119 0.000 1.110 180 F HN -0.175 nan 8.300 nan 0.000 0.522 181 P HA 0.102 nan 4.420 nan 0.000 0.265 181 P C -1.095 176.271 177.300 0.110 0.000 1.193 181 P CA -0.129 63.052 63.100 0.135 0.000 0.765 181 P CB 0.502 32.260 31.700 0.097 0.000 0.823 182 K N 2.753 123.222 120.400 0.116 0.000 2.536 182 K HA 0.634 4.955 4.320 0.001 0.000 0.269 182 K C -3.186 173.430 176.600 0.027 0.000 0.965 182 K CA -2.362 53.918 56.287 -0.012 0.000 0.860 182 K CB 1.757 34.154 32.500 -0.172 0.000 1.423 182 K HN 0.079 nan 8.250 nan 0.000 0.438 183 P HA 0.033 nan 4.420 nan 0.000 0.277 183 P C 0.964 178.210 177.300 -0.090 0.000 1.240 183 P CA -0.592 62.521 63.100 0.021 0.000 0.798 183 P CB 0.928 32.656 31.700 0.047 0.000 0.979 184 C N 0.504 119.840 119.300 0.060 0.000 2.449 184 C HA -0.099 4.361 4.460 0.001 0.000 0.283 184 C C 2.526 177.465 174.990 -0.084 0.000 1.453 184 C CA 0.212 59.093 59.018 -0.228 0.000 1.779 184 C CB -2.680 24.732 27.740 -0.546 0.000 1.779 184 C HN 0.638 nan 8.230 nan 0.000 0.546 185 Y N 0.736 121.109 120.300 0.122 0.000 2.574 185 Y HA 0.273 4.824 4.550 0.001 0.000 0.294 185 Y C 1.721 177.674 175.900 0.089 0.000 1.142 185 Y CA 0.567 58.786 58.100 0.200 0.000 1.314 185 Y CB -0.789 37.913 38.460 0.403 0.000 0.991 185 Y HN 0.282 nan 8.280 nan 0.000 0.555 186 L N -0.178 120.756 121.223 -0.481 0.000 2.607 186 L HA 0.159 4.500 4.340 0.001 0.000 0.228 186 L C 0.213 176.875 176.870 -0.346 0.000 1.123 186 L CA -0.430 54.142 54.840 -0.448 0.000 0.890 186 L CB -0.179 41.515 42.059 -0.609 0.000 1.103 186 L HN 0.201 nan 8.230 nan 0.000 0.468 187 F N 1.719 121.399 119.950 -0.451 0.000 2.471 187 F HA 0.493 5.021 4.527 0.001 0.000 0.353 187 F C 0.309 175.989 175.800 -0.200 0.000 1.113 187 F CA -0.716 57.014 58.000 -0.449 0.000 1.262 187 F CB 0.570 39.304 39.000 -0.443 0.000 1.146 187 F HN -0.115 nan 8.300 nan 0.000 0.578 188 A N 6.953 128.959 122.820 -1.356 0.000 2.549 188 A HA 0.732 5.052 4.320 0.001 0.000 0.297 188 A C -2.119 174.723 177.584 -1.236 0.000 1.061 188 A CA -0.728 50.706 52.037 -1.004 0.000 0.690 188 A CB 1.467 20.128 19.000 -0.565 0.000 1.287 188 A HN 1.018 nan 8.150 nan 0.000 0.402 189 L N 2.010 122.754 121.223 -0.799 0.000 2.455 189 L HA 0.835 5.176 4.340 0.001 0.000 0.264 189 L C -1.833 174.774 176.870 -0.438 0.000 0.968 189 L CA -0.627 53.836 54.840 -0.629 0.000 0.827 189 L CB 2.117 43.829 42.059 -0.579 0.000 1.317 189 L HN 0.564 nan 8.230 nan 0.000 0.407 190 V N 3.480 123.162 119.914 -0.387 0.000 2.760 190 V HA 0.913 5.033 4.120 0.001 0.000 0.309 190 V C -0.606 175.422 176.094 -0.110 0.000 1.077 190 V CA -0.275 61.874 62.300 -0.252 0.000 0.910 190 V CB 1.802 33.430 31.823 -0.324 0.000 1.008 190 V HN 0.878 nan 8.190 nan 0.000 0.424 191 A N 2.774 125.599 122.820 0.010 0.000 2.427 191 A HA 1.044 5.365 4.320 0.001 0.000 0.298 191 A C -0.105 177.683 177.584 0.339 0.000 1.036 191 A CA 0.141 52.244 52.037 0.111 0.000 0.701 191 A CB 1.881 20.739 19.000 -0.237 0.000 1.250 191 A HN 1.809 nan 8.150 nan 0.000 0.412 192 G N 0.416 109.465 108.800 0.414 0.000 2.317 192 G HA2 0.458 4.418 3.960 0.001 0.000 0.293 192 G HA3 0.458 4.418 3.960 0.001 0.000 0.293 192 G C -2.184 172.573 174.900 -0.237 0.000 1.287 192 G CA -0.181 44.926 45.100 0.011 0.000 0.850 192 G HN 0.863 nan 8.290 nan 0.000 0.515 193 D N -0.526 119.521 120.400 -0.589 0.000 2.344 193 D HA 0.734 5.374 4.640 0.001 0.000 0.239 193 D C -0.896 175.067 176.300 -0.561 0.000 1.064 193 D CA -0.212 53.649 54.000 -0.231 0.000 0.829 193 D CB 0.817 41.549 40.800 -0.113 0.000 1.129 193 D HN 0.248 nan 8.370 nan 0.000 0.506 194 F N 0.940 121.004 119.950 0.189 0.000 2.629 194 F HA 0.390 4.917 4.527 0.001 0.000 0.316 194 F C 0.222 175.979 175.800 -0.070 0.000 1.081 194 F CA -1.099 56.888 58.000 -0.022 0.000 0.954 194 F CB 1.419 40.348 39.000 -0.118 0.000 1.337 194 F HN 0.087 nan 8.300 nan 0.000 0.474 195 D N 0.895 121.378 120.400 0.138 0.000 2.193 195 D HA 0.601 5.241 4.640 0.001 0.000 0.249 195 D C -1.017 175.215 176.300 -0.113 0.000 1.034 195 D CA 0.042 54.060 54.000 0.029 0.000 0.902 195 D CB 2.203 43.018 40.800 0.025 0.000 1.182 195 D HN 0.170 nan 8.370 nan 0.000 0.436 196 V N 2.804 122.604 119.914 -0.190 0.000 2.577 196 V HA 0.259 4.379 4.120 0.001 0.000 0.303 196 V C -0.454 175.485 176.094 -0.259 0.000 1.042 196 V CA -0.945 61.116 62.300 -0.397 0.000 0.872 196 V CB 1.904 33.362 31.823 -0.608 0.000 0.998 196 V HN 0.311 nan 8.190 nan 0.000 0.423 197 L N 6.209 127.273 121.223 -0.264 0.000 2.264 197 L HA 0.638 4.978 4.340 0.001 0.000 0.289 197 L C 0.018 176.781 176.870 -0.178 0.000 1.044 197 L CA 0.139 54.878 54.840 -0.168 0.000 0.807 197 L CB 0.776 42.754 42.059 -0.135 0.000 1.192 197 L HN 0.628 nan 8.230 nan 0.000 0.425 198 R N 3.855 124.285 120.500 -0.118 0.000 2.514 198 R HA 0.632 4.972 4.340 0.001 0.000 0.301 198 R C -1.079 175.191 176.300 -0.049 0.000 0.962 198 R CA -0.796 55.253 56.100 -0.085 0.000 0.882 198 R CB 1.773 32.040 30.300 -0.056 0.000 1.143 198 R HN 0.616 nan 8.270 nan 0.000 0.452 199 D N -0.054 120.325 120.400 -0.034 0.000 2.812 199 D HA 0.464 5.104 4.640 0.001 0.000 0.318 199 D C -1.134 175.174 176.300 0.013 0.000 1.234 199 D CA -0.247 53.744 54.000 -0.015 0.000 0.989 199 D CB 2.630 43.412 40.800 -0.030 0.000 1.442 199 D HN 0.384 nan 8.370 nan 0.000 0.537 200 T N 0.331 114.903 114.554 0.030 0.000 2.916 200 T HA 0.544 4.895 4.350 0.001 0.000 0.305 200 T C -1.399 173.365 174.700 0.108 0.000 1.119 200 T CA -0.470 61.667 62.100 0.062 0.000 1.008 200 T CB 1.248 70.138 68.868 0.037 0.000 1.129 200 T HN 0.258 nan 8.240 nan 0.000 0.480 201 F N 1.705 121.640 119.950 -0.025 0.000 2.547 201 F HA 0.571 5.099 4.527 0.001 0.000 0.316 201 F C -0.580 175.228 175.800 0.013 0.000 1.121 201 F CA -0.356 57.624 58.000 -0.033 0.000 0.911 201 F CB 1.794 40.740 39.000 -0.090 0.000 1.179 201 F HN 0.449 nan 8.300 nan 0.000 0.443 202 T N 4.321 118.462 114.554 -0.688 0.000 2.756 202 T HA 0.328 4.678 4.350 0.001 0.000 0.290 202 T C 0.151 174.502 174.700 -0.582 0.000 0.985 202 T CA -0.500 61.353 62.100 -0.411 0.000 0.955 202 T CB 0.793 69.500 68.868 -0.269 0.000 0.930 202 T HN 0.764 nan 8.240 nan 0.000 0.451 203 T N 0.794 115.279 114.554 -0.116 0.000 2.734 203 T HA 0.106 4.456 4.350 0.001 0.000 0.314 203 T C 1.648 176.351 174.700 0.004 0.000 1.057 203 T CA -0.632 61.526 62.100 0.095 0.000 1.047 203 T CB 0.590 69.609 68.868 0.252 0.000 0.991 203 T HN 0.724 nan 8.240 nan 0.000 0.540 204 R N 0.508 121.052 120.500 0.073 0.000 2.193 204 R HA -0.060 4.281 4.340 0.001 0.000 0.229 204 R C 1.998 178.315 176.300 0.029 0.000 1.110 204 R CA 1.571 57.692 56.100 0.035 0.000 0.988 204 R CB -0.683 29.652 30.300 0.058 0.000 0.871 204 R HN 0.684 nan 8.270 nan 0.000 0.458 205 S N -1.139 114.591 115.700 0.051 0.000 2.575 205 S HA 0.276 4.747 4.470 0.001 0.000 0.215 205 S C 1.318 175.939 174.600 0.035 0.000 0.966 205 S CA 0.005 58.232 58.200 0.044 0.000 0.911 205 S CB 0.720 63.956 63.200 0.060 0.000 0.780 205 S HN 0.662 nan 8.310 nan 0.000 0.514 206 G N 1.491 110.306 108.800 0.024 0.000 2.179 206 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 206 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 206 G C 0.059 174.978 174.900 0.032 0.000 0.990 206 G CA -0.170 44.938 45.100 0.013 0.000 0.646 206 G HN 0.673 nan 8.290 nan 0.000 0.517 207 R N 1.417 121.958 120.500 0.069 0.000 2.370 207 R HA 0.345 4.686 4.340 0.001 0.000 0.309 207 R C -0.374 175.990 176.300 0.106 0.000 1.059 207 R CA -0.078 56.082 56.100 0.101 0.000 0.981 207 R CB 0.176 30.564 30.300 0.148 0.000 0.972 207 R HN 0.404 nan 8.270 nan 0.000 0.437 208 E N 3.773 124.027 120.200 0.090 0.000 2.152 208 E HA 0.145 4.495 4.350 0.001 0.000 0.285 208 E C -0.795 175.896 176.600 0.151 0.000 1.043 208 E CA -0.501 55.950 56.400 0.086 0.000 0.839 208 E CB 1.816 31.547 29.700 0.052 0.000 1.069 208 E HN 0.320 nan 8.360 nan 0.000 0.399 209 V N 2.590 122.627 119.914 0.204 0.000 2.398 209 V HA 0.362 4.483 4.120 0.001 0.000 0.286 209 V C 0.219 176.428 176.094 0.192 0.000 1.026 209 V CA -0.838 61.620 62.300 0.263 0.000 0.868 209 V CB 1.422 33.470 31.823 0.374 0.000 0.982 209 V HN 0.731 nan 8.190 nan 0.000 0.443 210 A N 6.639 129.567 122.820 0.181 0.000 2.362 210 A HA 0.697 5.018 4.320 0.001 0.000 0.276 210 A C -0.380 177.280 177.584 0.128 0.000 1.153 210 A CA -0.251 51.866 52.037 0.133 0.000 0.813 210 A CB -0.036 19.043 19.000 0.132 0.000 1.081 210 A HN 0.820 nan 8.150 nan 0.000 0.507 211 L N 2.718 123.983 121.223 0.068 0.000 2.307 211 L HA 0.508 4.848 4.340 0.001 0.000 0.284 211 L C -0.121 176.743 176.870 -0.009 0.000 1.023 211 L CA -0.194 54.662 54.840 0.027 0.000 0.810 211 L CB 1.378 43.407 42.059 -0.049 0.000 1.231 211 L HN 0.736 nan 8.230 nan 0.000 0.423 212 E N 3.828 124.025 120.200 -0.004 0.000 2.241 212 E HA 0.415 4.765 4.350 0.001 0.000 0.263 212 E C -1.470 175.029 176.600 -0.168 0.000 0.882 212 E CA -0.795 55.534 56.400 -0.119 0.000 0.769 212 E CB 3.112 32.784 29.700 -0.048 0.000 1.185 212 E HN 0.232 nan 8.360 nan 0.000 0.415 213 L N 3.863 124.905 121.223 -0.303 0.000 2.294 213 L HA 0.391 4.731 4.340 0.001 0.000 0.283 213 L C -1.752 174.878 176.870 -0.400 0.000 1.015 213 L CA -0.521 54.160 54.840 -0.265 0.000 0.831 213 L CB 0.223 42.147 42.059 -0.224 0.000 1.217 213 L HN 0.431 nan 8.230 nan 0.000 0.420 214 Y N 4.928 125.029 120.300 -0.332 0.000 2.326 214 Y HA 0.607 5.158 4.550 0.001 0.000 0.337 214 Y C 0.374 176.060 175.900 -0.356 0.000 1.023 214 Y CA -0.433 57.398 58.100 -0.449 0.000 1.143 214 Y CB 1.506 39.470 38.460 -0.827 0.000 1.183 214 Y HN 0.519 nan 8.280 nan 0.000 0.485 215 V N -0.890 118.995 119.914 -0.049 0.000 3.130 215 V HA 0.550 4.671 4.120 0.001 0.000 0.310 215 V C -0.633 175.601 176.094 0.234 0.000 1.158 215 V CA -1.300 61.030 62.300 0.051 0.000 1.029 215 V CB 1.985 33.804 31.823 -0.006 0.000 1.057 215 V HN 0.496 nan 8.190 nan 0.000 0.436 216 D N 1.887 122.418 120.400 0.218 0.000 2.423 216 D HA 0.179 4.819 4.640 0.001 0.000 0.238 216 D C 0.370 176.737 176.300 0.113 0.000 1.142 216 D CA 0.109 54.225 54.000 0.194 0.000 0.884 216 D CB 0.425 41.301 40.800 0.127 0.000 1.199 216 D HN 0.437 nan 8.370 nan 0.000 0.438 217 R N 0.737 121.284 120.500 0.079 0.000 2.537 217 R HA 0.222 4.563 4.340 0.001 0.000 0.281 217 R C 1.284 177.607 176.300 0.039 0.000 0.988 217 R CA 0.720 56.852 56.100 0.053 0.000 1.077 217 R CB -0.330 29.990 30.300 0.033 0.000 0.932 217 R HN 0.810 nan 8.270 nan 0.000 0.409 218 G N 2.592 111.411 108.800 0.031 0.000 2.176 218 G HA2 -0.250 3.710 3.960 0.001 0.000 0.232 218 G HA3 -0.250 3.710 3.960 0.001 0.000 0.232 218 G C 0.480 175.391 174.900 0.018 0.000 0.986 218 G CA 0.008 45.120 45.100 0.021 0.000 0.643 218 G HN 0.587 nan 8.290 nan 0.000 0.522 219 N N 0.147 118.860 118.700 0.021 0.000 2.235 219 N HA 0.261 5.001 4.740 0.001 0.000 0.209 219 N C 2.104 177.614 175.510 -0.000 0.000 1.122 219 N CA -0.009 53.048 53.050 0.012 0.000 0.845 219 N CB 0.169 38.664 38.487 0.015 0.000 1.004 219 N HN 0.432 nan 8.380 nan 0.000 0.499 220 L N 1.040 122.263 121.223 -0.001 0.000 2.187 220 L HA -0.188 4.152 4.340 0.001 0.000 0.213 220 L C 1.697 178.565 176.870 -0.003 0.000 1.100 220 L CA 1.202 56.035 54.840 -0.012 0.000 0.765 220 L CB -0.265 41.788 42.059 -0.011 0.000 0.904 220 L HN 0.134 nan 8.230 nan 0.000 0.437 221 D N -0.338 120.065 120.400 0.006 0.000 2.378 221 D HA -0.187 4.453 4.640 0.001 0.000 0.222 221 D C 1.558 177.871 176.300 0.020 0.000 0.980 221 D CA 0.800 54.810 54.000 0.015 0.000 0.907 221 D CB -0.122 40.688 40.800 0.017 0.000 0.899 221 D HN 0.279 nan 8.370 nan 0.000 0.527 222 R N -0.551 119.954 120.500 0.008 0.000 2.577 222 R HA 0.466 4.806 4.340 0.001 0.000 0.344 222 R C 0.996 177.298 176.300 0.003 0.000 1.037 222 R CA 0.324 56.426 56.100 0.003 0.000 1.102 222 R CB 0.966 31.252 30.300 -0.023 0.000 1.313 222 R HN 0.172 nan 8.270 nan 0.000 0.561 223 A N 1.282 124.102 122.820 0.000 0.000 2.085 223 A HA 0.201 4.522 4.320 0.001 0.000 0.208 223 A C -0.959 176.621 177.584 -0.007 0.000 1.191 223 A CA 0.104 52.126 52.037 -0.025 0.000 0.799 223 A CB -0.278 18.685 19.000 -0.062 0.000 0.877 223 A HN 0.024 nan 8.150 nan 0.000 0.473 224 P HA -0.219 nan 4.420 nan 0.000 0.216 224 P C 1.539 178.908 177.300 0.115 0.000 1.153 224 P CA 1.215 64.352 63.100 0.062 0.000 0.858 224 P CB -0.223 31.532 31.700 0.092 0.000 0.789 225 W N 0.573 121.880 121.300 0.011 0.000 2.358 225 W HA -0.178 4.483 4.660 0.001 0.000 0.303 225 W C 1.948 178.462 176.519 -0.010 0.000 1.208 225 W CA 1.374 58.746 57.345 0.045 0.000 1.274 225 W CB -0.431 29.104 29.460 0.125 0.000 1.138 225 W HN -0.086 nan 8.180 nan 0.000 0.515 226 A N 0.816 123.529 122.820 -0.178 0.000 1.902 226 A HA -0.267 4.054 4.320 0.001 0.000 0.217 226 A C 1.851 179.215 177.584 -0.367 0.000 1.181 226 A CA 2.075 53.914 52.037 -0.331 0.000 0.623 226 A CB -0.976 17.892 19.000 -0.221 0.000 0.818 226 A HN 0.381 nan 8.150 nan 0.000 0.443 227 M N -0.005 119.441 119.600 -0.258 0.000 2.117 227 M HA -0.087 4.394 4.480 0.001 0.000 0.262 227 M C 1.956 178.095 176.300 -0.267 0.000 1.065 227 M CA 2.459 57.616 55.300 -0.240 0.000 1.114 227 M CB -1.006 31.504 32.600 -0.150 0.000 1.361 227 M HN 0.336 nan 8.290 nan 0.000 0.408 228 T N -0.201 114.194 114.554 -0.265 0.000 2.746 228 T HA -0.089 4.262 4.350 0.001 0.000 0.267 228 T C 1.895 176.345 174.700 -0.417 0.000 1.039 228 T CA 1.780 63.720 62.100 -0.267 0.000 1.142 228 T CB -0.380 68.378 68.868 -0.183 0.000 0.866 228 T HN 0.438 nan 8.240 nan 0.000 0.444 229 S N 1.189 116.492 115.700 -0.661 0.000 2.402 229 S HA -0.005 4.465 4.470 0.001 0.000 0.229 229 S C 1.901 176.263 174.600 -0.397 0.000 1.021 229 S CA 0.506 58.359 58.200 -0.578 0.000 0.974 229 S CB -0.401 62.377 63.200 -0.704 0.000 0.800 229 S HN 0.272 nan 8.310 nan 0.000 0.484 230 L N 2.094 123.040 121.223 -0.462 0.000 2.017 230 L HA -0.031 4.309 4.340 0.001 0.000 0.208 230 L C 1.919 178.390 176.870 -0.664 0.000 1.073 230 L CA 1.840 56.325 54.840 -0.592 0.000 0.745 230 L CB -0.563 41.143 42.059 -0.589 0.000 0.894 230 L HN 0.091 nan 8.230 nan 0.000 0.432 231 K N -0.386 119.731 120.400 -0.471 0.000 2.057 231 K HA -0.161 4.160 4.320 0.001 0.000 0.207 231 K C 1.928 178.341 176.600 -0.311 0.000 1.049 231 K CA 1.903 57.947 56.287 -0.405 0.000 0.931 231 K CB -0.404 32.053 32.500 -0.072 0.000 0.714 231 K HN 0.539 nan 8.250 nan 0.000 0.440 232 N N 0.244 118.845 118.700 -0.164 0.000 2.166 232 N HA -0.120 4.621 4.740 0.001 0.000 0.186 232 N C 1.742 177.309 175.510 0.095 0.000 1.019 232 N CA 1.070 54.153 53.050 0.055 0.000 0.856 232 N CB 0.026 38.590 38.487 0.129 0.000 0.993 232 N HN 0.044 nan 8.380 nan 0.000 0.426 233 S N 0.881 116.440 115.700 -0.235 0.000 2.368 233 S HA -0.070 4.401 4.470 0.001 0.000 0.224 233 S C 1.953 176.331 174.600 -0.370 0.000 1.029 233 S CA 1.021 58.894 58.200 -0.544 0.000 0.988 233 S CB -0.113 62.548 63.200 -0.899 0.000 0.838 233 S HN 0.286 nan 8.310 nan 0.000 0.462 234 M N 0.923 120.008 119.600 -0.858 0.000 2.117 234 M HA -0.111 4.370 4.480 0.001 0.000 0.262 234 M C 2.262 178.400 176.300 -0.270 0.000 1.065 234 M CA 1.344 56.093 55.300 -0.918 0.000 1.114 234 M CB -0.347 31.195 32.600 -1.764 0.000 1.361 234 M HN 0.073 nan 8.290 nan 0.000 0.408 235 K N -0.016 120.309 120.400 -0.124 0.000 2.057 235 K HA -0.204 4.116 4.320 0.001 0.000 0.207 235 K C 1.630 178.393 176.600 0.271 0.000 1.049 235 K CA 1.608 58.047 56.287 0.254 0.000 0.931 235 K CB -0.636 32.053 32.500 0.314 0.000 0.714 235 K HN 0.456 nan 8.250 nan 0.000 0.440 236 W N 1.429 122.816 121.300 0.145 0.000 2.358 236 W HA -0.149 4.511 4.660 0.001 0.000 0.303 236 W C 1.589 178.214 176.519 0.176 0.000 1.208 236 W CA 1.903 59.373 57.345 0.207 0.000 1.274 236 W CB -0.432 29.250 29.460 0.370 0.000 1.138 236 W HN 0.192 nan 8.180 nan 0.000 0.515 237 D N 0.126 120.701 120.400 0.291 0.000 2.178 237 D HA -0.185 4.455 4.640 0.001 0.000 0.201 237 D C 1.869 178.162 176.300 -0.011 0.000 0.980 237 D CA 1.556 55.595 54.000 0.064 0.000 0.842 237 D CB -0.149 40.907 40.800 0.426 0.000 0.948 237 D HN 0.397 nan 8.370 nan 0.000 0.472 238 E N 0.130 120.375 120.200 0.075 0.000 2.028 238 E HA -0.133 4.218 4.350 0.001 0.000 0.191 238 E C 2.093 178.674 176.600 -0.032 0.000 0.988 238 E CA 0.758 57.192 56.400 0.056 0.000 0.799 238 E CB -0.023 29.765 29.700 0.146 0.000 0.755 238 E HN 0.431 nan 8.360 nan 0.000 0.447 239 E N 0.488 120.655 120.200 -0.055 0.000 2.051 239 E HA -0.202 4.149 4.350 0.001 0.000 0.192 239 E C 2.217 178.683 176.600 -0.224 0.000 0.991 239 E CA 0.933 57.274 56.400 -0.099 0.000 0.799 239 E CB -0.034 29.642 29.700 -0.041 0.000 0.748 239 E HN -0.052 nan 8.360 nan 0.000 0.449 240 R N -0.013 120.209 120.500 -0.463 0.000 2.080 240 R HA 0.001 4.341 4.340 0.001 0.000 0.222 240 R C 1.327 177.329 176.300 -0.497 0.000 1.107 240 R CA 1.177 56.934 56.100 -0.573 0.000 0.980 240 R CB -0.061 29.572 30.300 -1.111 0.000 0.879 240 R HN 0.085 nan 8.270 nan 0.000 0.439 241 F N -0.892 118.795 119.950 -0.439 0.000 2.678 241 F HA 0.375 4.902 4.527 0.001 0.000 0.305 241 F C 1.212 176.900 175.800 -0.186 0.000 1.090 241 F CA 0.380 58.241 58.000 -0.231 0.000 1.272 241 F CB 0.976 39.855 39.000 -0.201 0.000 1.060 241 F HN 0.273 nan 8.300 nan 0.000 0.576 242 G N 1.624 110.390 108.800 -0.057 0.000 2.198 242 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 242 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 242 G C -0.106 174.711 174.900 -0.138 0.000 1.025 242 G CA -0.003 45.051 45.100 -0.076 0.000 0.769 242 G HN 0.285 nan 8.290 nan 0.000 0.507 243 L N -0.116 121.019 121.223 -0.145 0.000 2.307 243 L HA 0.621 4.962 4.340 0.001 0.000 0.284 243 L C 0.421 177.311 176.870 0.034 0.000 1.023 243 L CA -0.751 53.904 54.840 -0.308 0.000 0.810 243 L CB 1.555 43.273 42.059 -0.567 0.000 1.231 243 L HN 0.159 nan 8.230 nan 0.000 0.423 244 E N 1.149 121.440 120.200 0.152 0.000 2.221 244 E HA 0.264 4.615 4.350 0.001 0.000 0.268 244 E C -1.337 175.597 176.600 0.555 0.000 0.933 244 E CA -0.912 55.700 56.400 0.354 0.000 0.809 244 E CB 2.385 32.248 29.700 0.271 0.000 1.190 244 E HN 0.315 nan 8.360 nan 0.000 0.406 245 Y N 2.448 122.992 120.300 0.408 0.000 2.457 245 Y HA -0.049 4.501 4.550 0.001 0.000 0.341 245 Y C 0.783 176.836 175.900 0.255 0.000 1.240 245 Y CA 0.177 58.486 58.100 0.349 0.000 1.437 245 Y CB 0.607 39.294 38.460 0.377 0.000 1.328 245 Y HN 0.523 nan 8.280 nan 0.000 0.588 246 D N 2.651 122.735 120.400 -0.528 0.000 2.433 246 D HA 0.137 4.778 4.640 0.001 0.000 0.211 246 D C -0.256 175.848 176.300 -0.325 0.000 1.114 246 D CA 0.282 54.079 54.000 -0.338 0.000 0.837 246 D CB -0.123 40.443 40.800 -0.391 0.000 0.984 246 D HN 0.404 nan 8.370 nan 0.000 0.505 247 L N -0.296 120.472 121.223 -0.759 0.000 2.235 247 L HA 0.374 4.715 4.340 0.001 0.000 0.260 247 L C 0.239 177.161 176.870 0.087 0.000 1.025 247 L CA -0.821 53.882 54.840 -0.229 0.000 0.836 247 L CB 1.795 43.755 42.059 -0.165 0.000 1.395 247 L HN -0.328 nan 8.230 nan 0.000 0.443 248 D N -0.183 120.331 120.400 0.190 0.000 2.305 248 D HA 0.198 4.839 4.640 0.001 0.000 0.206 248 D C -0.045 176.435 176.300 0.300 0.000 0.974 248 D CA 0.675 54.812 54.000 0.228 0.000 0.871 248 D CB 0.959 41.854 40.800 0.158 0.000 0.947 248 D HN 0.166 nan 8.370 nan 0.000 0.516 249 I N -0.702 120.086 120.570 0.363 0.000 2.769 249 I HA 0.384 4.555 4.170 0.001 0.000 0.298 249 I C -1.921 174.422 176.117 0.376 0.000 1.128 249 I CA -1.255 60.244 61.300 0.332 0.000 1.031 249 I CB 2.359 40.519 38.000 0.267 0.000 1.235 249 I HN -0.189 nan 8.210 nan 0.000 0.423 250 Y N 7.344 127.707 120.300 0.104 0.000 2.332 250 Y HA 0.564 5.115 4.550 0.001 0.000 0.326 250 Y C -1.053 174.821 175.900 -0.043 0.000 0.978 250 Y CA -0.692 57.374 58.100 -0.056 0.000 1.205 250 Y CB 1.435 39.682 38.460 -0.354 0.000 1.131 250 Y HN 0.441 nan 8.280 nan 0.000 0.462 251 M N 6.844 126.369 119.600 -0.125 0.000 2.404 251 M HA 0.560 5.040 4.480 0.001 0.000 0.338 251 M C -1.206 175.023 176.300 -0.119 0.000 1.150 251 M CA -0.496 54.786 55.300 -0.030 0.000 1.016 251 M CB 1.934 34.493 32.600 -0.069 0.000 1.672 251 M HN 0.480 nan 8.290 nan 0.000 0.448 252 I N 2.373 122.915 120.570 -0.047 0.000 2.499 252 I HA 0.482 4.653 4.170 0.001 0.000 0.288 252 I C -1.141 174.888 176.117 -0.147 0.000 1.048 252 I CA -0.946 60.265 61.300 -0.148 0.000 1.062 252 I CB 2.314 40.140 38.000 -0.290 0.000 1.238 252 I HN 0.322 nan 8.210 nan 0.000 0.426 253 V N 5.001 124.792 119.914 -0.205 0.000 2.448 253 V HA 0.612 4.732 4.120 0.001 0.000 0.295 253 V C 0.201 176.173 176.094 -0.202 0.000 1.025 253 V CA -0.628 61.505 62.300 -0.279 0.000 0.859 253 V CB 1.702 33.255 31.823 -0.449 0.000 0.988 253 V HN 0.805 nan 8.190 nan 0.000 0.431 254 A N 5.160 127.879 122.820 -0.168 0.000 2.260 254 A HA 0.788 5.108 4.320 0.001 0.000 0.308 254 A C -0.242 177.316 177.584 -0.043 0.000 1.254 254 A CA -0.418 51.568 52.037 -0.085 0.000 0.874 254 A CB 0.815 19.776 19.000 -0.064 0.000 1.153 254 A HN 1.296 nan 8.150 nan 0.000 0.527 255 V N 0.196 120.083 119.914 -0.045 0.000 2.815 255 V HA 0.536 4.657 4.120 0.001 0.000 0.314 255 V C 0.044 176.185 176.094 0.078 0.000 1.064 255 V CA -0.674 61.660 62.300 0.057 0.000 0.952 255 V CB 1.892 33.761 31.823 0.075 0.000 1.020 255 V HN 0.695 nan 8.190 nan 0.000 0.439 256 D N 1.539 122.015 120.400 0.126 0.000 2.249 256 D HA 0.121 4.762 4.640 0.001 0.000 0.205 256 D C 0.081 176.279 176.300 -0.171 0.000 0.962 256 D CA 1.541 55.514 54.000 -0.045 0.000 0.860 256 D CB 0.065 40.793 40.800 -0.120 0.000 0.955 256 D HN 0.592 nan 8.370 nan 0.000 0.505 257 F N 0.423 120.491 119.950 0.196 0.000 2.332 257 F HA 0.365 4.893 4.527 0.001 0.000 0.368 257 F C -0.412 175.632 175.800 0.406 0.000 1.110 257 F CA -0.864 57.277 58.000 0.234 0.000 1.087 257 F CB 0.819 39.962 39.000 0.239 0.000 1.235 257 F HN -0.333 nan 8.300 nan 0.000 0.470 258 F N 2.980 123.033 119.950 0.172 0.000 2.604 258 F HA 0.339 4.867 4.527 0.001 0.000 0.316 258 F C 0.483 176.293 175.800 0.018 0.000 1.136 258 F CA -1.024 57.052 58.000 0.127 0.000 0.989 258 F CB 1.341 40.411 39.000 0.118 0.000 1.258 258 F HN 0.207 nan 8.300 nan 0.000 0.451 259 N N 3.716 122.191 118.700 -0.374 0.000 2.309 259 N HA -0.057 4.683 4.740 0.001 0.000 0.182 259 N C 0.624 175.988 175.510 -0.244 0.000 1.018 259 N CA 1.292 54.162 53.050 -0.300 0.000 0.876 259 N CB 0.018 38.284 38.487 -0.368 0.000 0.972 259 N HN 0.570 nan 8.380 nan 0.000 0.434 260 M N -2.676 116.733 119.600 -0.319 0.000 2.461 260 M HA 0.542 5.022 4.480 0.001 0.000 0.253 260 M C 1.440 177.882 176.300 0.237 0.000 0.930 260 M CA -0.476 54.768 55.300 -0.093 0.000 1.313 260 M CB -0.517 31.967 32.600 -0.194 0.000 1.437 260 M HN -0.177 nan 8.290 nan 0.000 0.713 261 G N -0.241 108.687 108.800 0.213 0.000 2.556 261 G HA2 0.562 4.523 3.960 0.001 0.000 0.209 261 G HA3 0.562 4.523 3.960 0.001 0.000 0.209 261 G C 0.166 175.160 174.900 0.156 0.000 1.159 261 G CA 0.746 46.026 45.100 0.300 0.000 0.828 261 G HN 1.096 nan 8.290 nan 0.000 0.553 262 A N -1.467 121.361 122.820 0.014 0.000 2.586 262 A HA 0.737 5.058 4.320 0.001 0.000 0.290 262 A C -1.857 175.705 177.584 -0.037 0.000 1.086 262 A CA -0.517 51.296 52.037 -0.374 0.000 0.665 262 A CB 1.504 19.661 19.000 -1.406 0.000 1.279 262 A HN 0.420 nan 8.150 nan 0.000 0.423 263 M N 1.212 120.767 119.600 -0.074 0.000 2.324 263 M HA 0.414 4.895 4.480 0.001 0.000 0.288 263 M C 0.010 176.354 176.300 0.073 0.000 1.097 263 M CA -0.347 55.015 55.300 0.103 0.000 0.928 263 M CB 1.979 34.734 32.600 0.259 0.000 1.648 263 M HN 0.743 nan 8.290 nan 0.000 0.460 264 E N 2.218 122.474 120.200 0.094 0.000 2.301 264 E HA 0.046 4.397 4.350 0.001 0.000 0.195 264 E C -1.027 175.560 176.600 -0.023 0.000 1.171 264 E CA -0.002 56.446 56.400 0.081 0.000 1.142 264 E CB -1.126 28.638 29.700 0.107 0.000 1.218 264 E HN 0.846 nan 8.360 nan 0.000 0.448 265 N N 1.931 120.595 118.700 -0.061 0.000 2.292 265 N HA -0.103 4.637 4.740 0.001 0.000 0.258 265 N C -0.206 175.173 175.510 -0.219 0.000 1.261 265 N CA 0.130 53.078 53.050 -0.169 0.000 0.845 265 N CB 0.335 38.693 38.487 -0.216 0.000 1.064 265 N HN 0.040 nan 8.380 nan 0.000 0.471 266 K N 2.229 122.481 120.400 -0.247 0.000 2.405 266 K HA -0.012 4.308 4.320 0.001 0.000 0.273 266 K C 1.207 177.666 176.600 -0.235 0.000 1.116 266 K CA 1.054 57.203 56.287 -0.231 0.000 1.155 266 K CB -0.651 31.712 32.500 -0.228 0.000 0.858 266 K HN 0.707 nan 8.250 nan 0.000 0.477 267 G N 3.067 111.717 108.800 -0.250 0.000 2.196 267 G HA2 -0.276 3.684 3.960 0.001 0.000 0.268 267 G HA3 -0.276 3.684 3.960 0.001 0.000 0.268 267 G C -0.141 174.523 174.900 -0.395 0.000 0.975 267 G CA 0.572 45.507 45.100 -0.276 0.000 0.648 267 G HN 0.641 nan 8.290 nan 0.000 0.538 268 L N 1.077 122.062 121.223 -0.398 0.000 2.448 268 L HA 0.433 4.773 4.340 0.001 0.000 0.257 268 L C -0.112 176.583 176.870 -0.291 0.000 1.504 268 L CA -1.051 53.560 54.840 -0.383 0.000 0.852 268 L CB -0.177 41.608 42.059 -0.457 0.000 1.051 268 L HN 0.257 nan 8.230 nan 0.000 0.518 269 N N 3.204 121.774 118.700 -0.217 0.000 2.479 269 N HA 0.428 5.168 4.740 0.001 0.000 0.257 269 N C -0.735 174.786 175.510 0.018 0.000 1.232 269 N CA -0.074 52.978 53.050 0.004 0.000 0.920 269 N CB 1.163 39.829 38.487 0.298 0.000 1.105 269 N HN 0.392 nan 8.380 nan 0.000 0.444 270 I N 2.555 123.143 120.570 0.030 0.000 2.389 270 I HA 0.330 4.501 4.170 0.001 0.000 0.288 270 I C -1.005 174.982 176.117 -0.217 0.000 0.999 270 I CA -0.511 60.718 61.300 -0.118 0.000 1.129 270 I CB 0.866 38.757 38.000 -0.182 0.000 1.288 270 I HN 0.298 nan 8.210 nan 0.000 0.444 271 F N 4.364 124.019 119.950 -0.491 0.000 2.522 271 F HA 0.365 4.893 4.527 0.001 0.000 0.324 271 F C 0.579 176.085 175.800 -0.491 0.000 1.077 271 F CA -0.905 56.841 58.000 -0.424 0.000 0.944 271 F CB 1.339 40.242 39.000 -0.161 0.000 1.175 271 F HN 0.385 nan 8.300 nan 0.000 0.468 272 N N 0.919 119.504 118.700 -0.191 0.000 2.483 272 N HA -0.055 4.685 4.740 0.001 0.000 0.264 272 N C 1.094 176.625 175.510 0.034 0.000 1.197 272 N CA 0.599 53.644 53.050 -0.010 0.000 0.927 272 N CB 1.294 39.906 38.487 0.209 0.000 1.065 272 N HN 0.721 nan 8.380 nan 0.000 0.461 273 S N 3.465 119.156 115.700 -0.015 0.000 2.440 273 S HA -0.198 4.272 4.470 0.001 0.000 0.240 273 S C 1.611 176.162 174.600 -0.082 0.000 1.014 273 S CA 1.059 59.241 58.200 -0.029 0.000 0.980 273 S CB -0.137 63.039 63.200 -0.039 0.000 0.775 273 S HN 0.753 nan 8.310 nan 0.000 0.499 274 K N 0.141 120.431 120.400 -0.184 0.000 2.209 274 K HA -0.099 4.221 4.320 0.001 0.000 0.204 274 K C 0.309 176.622 176.600 -0.478 0.000 1.048 274 K CA 1.146 57.200 56.287 -0.388 0.000 0.940 274 K CB -0.164 31.981 32.500 -0.590 0.000 0.729 274 K HN 0.555 nan 8.250 nan 0.000 0.451 275 Y N -0.621 119.732 120.300 0.087 0.000 2.683 275 Y HA 0.147 4.697 4.550 0.001 0.000 0.297 275 Y C 0.839 176.848 175.900 0.181 0.000 1.147 275 Y CA -0.428 57.764 58.100 0.153 0.000 1.274 275 Y CB 0.802 39.375 38.460 0.188 0.000 1.143 275 Y HN -0.155 nan 8.280 nan 0.000 0.527 276 V N -1.819 118.174 119.914 0.131 0.000 3.261 276 V HA 0.096 4.216 4.120 0.001 0.000 0.212 276 V C 0.468 176.549 176.094 -0.021 0.000 1.381 276 V CA -0.230 62.079 62.300 0.016 0.000 1.322 276 V CB 0.325 32.114 31.823 -0.057 0.000 1.188 276 V HN -0.057 nan 8.190 nan 0.000 0.520 277 L N 2.108 123.303 121.223 -0.046 0.000 2.418 277 L HA 0.633 4.973 4.340 0.001 0.000 0.274 277 L C -0.104 176.694 176.870 -0.119 0.000 1.135 277 L CA 0.348 55.147 54.840 -0.069 0.000 0.870 277 L CB 0.381 42.399 42.059 -0.069 0.000 1.154 277 L HN 0.361 nan 8.230 nan 0.000 0.462 278 A N 5.110 127.854 122.820 -0.126 0.000 2.566 278 A HA 0.838 5.159 4.320 0.001 0.000 0.297 278 A C -0.936 176.567 177.584 -0.135 0.000 1.059 278 A CA -0.798 51.080 52.037 -0.265 0.000 0.691 278 A CB 1.887 20.509 19.000 -0.629 0.000 1.282 278 A HN 0.828 nan 8.150 nan 0.000 0.401 279 R N -0.273 120.171 120.500 -0.093 0.000 2.680 279 R HA 0.597 4.937 4.340 0.001 0.000 0.269 279 R C 0.535 176.887 176.300 0.086 0.000 1.026 279 R CA -0.032 56.101 56.100 0.054 0.000 0.889 279 R CB 0.826 31.141 30.300 0.026 0.000 1.241 279 R HN 0.857 nan 8.270 nan 0.000 0.463 280 T N -2.333 112.293 114.554 0.120 0.000 2.849 280 T HA -0.201 4.150 4.350 0.001 0.000 0.270 280 T C 1.046 175.661 174.700 -0.141 0.000 1.066 280 T CA 1.735 63.828 62.100 -0.012 0.000 1.130 280 T CB -0.463 68.345 68.868 -0.101 0.000 0.864 280 T HN 0.757 nan 8.240 nan 0.000 0.481 281 D N 1.155 121.512 120.400 -0.072 0.000 2.350 281 D HA -0.012 4.628 4.640 0.001 0.000 0.213 281 D C 1.797 177.974 176.300 -0.205 0.000 1.031 281 D CA 1.046 55.013 54.000 -0.056 0.000 0.861 281 D CB -0.352 40.512 40.800 0.108 0.000 0.926 281 D HN 0.651 nan 8.370 nan 0.000 0.520 282 T N -3.376 111.019 114.554 -0.265 0.000 2.955 282 T HA 0.527 4.877 4.350 0.001 0.000 0.251 282 T C 0.790 175.287 174.700 -0.339 0.000 1.002 282 T CA 0.121 61.929 62.100 -0.486 0.000 0.970 282 T CB 0.425 69.064 68.868 -0.383 0.000 1.091 282 T HN 0.214 nan 8.240 nan 0.000 0.495 283 A N 2.040 124.736 122.820 -0.208 0.000 2.355 283 A HA 0.753 5.074 4.320 0.001 0.000 0.324 283 A C 0.354 177.933 177.584 -0.009 0.000 1.117 283 A CA -0.571 51.369 52.037 -0.161 0.000 0.785 283 A CB 1.329 20.126 19.000 -0.338 0.000 1.254 283 A HN 0.496 nan 8.150 nan 0.000 0.453 284 T N -1.245 113.317 114.554 0.015 0.000 2.912 284 T HA 0.339 4.690 4.350 0.001 0.000 0.280 284 T C 0.248 175.073 174.700 0.209 0.000 0.989 284 T CA -0.229 61.919 62.100 0.079 0.000 0.995 284 T CB 0.748 69.637 68.868 0.035 0.000 1.077 284 T HN 0.454 nan 8.240 nan 0.000 0.531 285 D N -0.006 120.489 120.400 0.158 0.000 2.123 285 D HA -0.126 4.514 4.640 0.001 0.000 0.196 285 D C 1.847 178.220 176.300 0.121 0.000 0.992 285 D CA 1.337 55.404 54.000 0.112 0.000 0.833 285 D CB -0.133 40.684 40.800 0.028 0.000 0.954 285 D HN 0.710 nan 8.370 nan 0.000 0.455 286 K N 0.620 121.076 120.400 0.093 0.000 2.057 286 K HA -0.161 4.160 4.320 0.001 0.000 0.207 286 K C 1.457 178.124 176.600 0.112 0.000 1.049 286 K CA 1.388 57.727 56.287 0.087 0.000 0.931 286 K CB 0.151 32.687 32.500 0.060 0.000 0.714 286 K HN -0.043 nan 8.250 nan 0.000 0.440 287 D N -0.198 120.254 120.400 0.085 0.000 2.117 287 D HA -0.176 4.464 4.640 0.001 0.000 0.197 287 D C 1.881 178.223 176.300 0.069 0.000 0.987 287 D CA 1.293 55.317 54.000 0.039 0.000 0.829 287 D CB -0.387 40.362 40.800 -0.084 0.000 0.961 287 D HN 0.292 nan 8.370 nan 0.000 0.460 288 Y N 1.011 121.313 120.300 0.003 0.000 2.128 288 Y HA -0.113 4.438 4.550 0.001 0.000 0.284 288 Y C 2.553 178.611 175.900 0.263 0.000 1.154 288 Y CA 0.843 58.920 58.100 -0.038 0.000 1.149 288 Y CB -0.356 37.814 38.460 -0.483 0.000 0.976 288 Y HN -0.057 nan 8.280 nan 0.000 0.505 289 L N -0.685 120.717 121.223 0.299 0.000 2.217 289 L HA -0.185 4.155 4.340 0.001 0.000 0.211 289 L C 1.670 178.682 176.870 0.236 0.000 1.107 289 L CA 0.951 55.948 54.840 0.261 0.000 0.783 289 L CB -0.420 41.732 42.059 0.155 0.000 0.919 289 L HN 0.204 nan 8.230 nan 0.000 0.442 290 D N 0.391 120.930 120.400 0.231 0.000 2.149 290 D HA -0.092 4.548 4.640 0.001 0.000 0.201 290 D C 2.309 178.779 176.300 0.284 0.000 0.972 290 D CA 1.083 55.221 54.000 0.229 0.000 0.835 290 D CB 0.070 41.053 40.800 0.305 0.000 0.966 290 D HN 0.268 nan 8.370 nan 0.000 0.476 291 I N 1.050 121.834 120.570 0.356 0.000 2.226 291 I HA -0.236 3.934 4.170 0.001 0.000 0.245 291 I C 2.463 178.728 176.117 0.247 0.000 1.100 291 I CA 1.068 62.576 61.300 0.347 0.000 1.374 291 I CB -0.144 38.070 38.000 0.357 0.000 1.057 291 I HN 0.021 nan 8.210 nan 0.000 0.413 292 E N 1.295 121.675 120.200 0.300 0.000 2.058 292 E HA -0.302 4.048 4.350 0.001 0.000 0.194 292 E C 2.419 179.165 176.600 0.244 0.000 0.997 292 E CA 1.354 57.871 56.400 0.195 0.000 0.801 292 E CB -0.075 29.778 29.700 0.254 0.000 0.746 292 E HN 0.302 nan 8.360 nan 0.000 0.450 293 R N 0.171 120.792 120.500 0.202 0.000 2.073 293 R HA -0.134 4.207 4.340 0.001 0.000 0.234 293 R C 2.274 178.662 176.300 0.146 0.000 1.134 293 R CA 1.703 57.915 56.100 0.187 0.000 0.952 293 R CB -0.179 30.179 30.300 0.097 0.000 0.850 293 R HN 0.149 nan 8.270 nan 0.000 0.433 294 V N 1.394 121.353 119.914 0.075 0.000 2.379 294 V HA -0.219 3.901 4.120 0.001 0.000 0.245 294 V C 2.488 178.714 176.094 0.219 0.000 1.044 294 V CA 1.218 63.530 62.300 0.020 0.000 1.036 294 V CB -0.384 31.327 31.823 -0.186 0.000 0.664 294 V HN 0.321 nan 8.190 nan 0.000 0.453 295 I N 1.244 121.981 120.570 0.277 0.000 2.163 295 I HA -0.192 3.978 4.170 0.001 0.000 0.243 295 I C 2.611 178.686 176.117 -0.070 0.000 1.085 295 I CA 2.174 63.587 61.300 0.188 0.000 1.347 295 I CB -1.700 36.247 38.000 -0.089 0.000 1.044 295 I HN 0.406 nan 8.210 nan 0.000 0.408 296 G N -0.455 108.209 108.800 -0.227 0.000 2.421 296 G HA2 -0.326 3.635 3.960 0.001 0.000 0.216 296 G HA3 -0.326 3.635 3.960 0.001 0.000 0.216 296 G C 1.612 175.858 174.900 -1.089 0.000 1.171 296 G CA 1.270 45.821 45.100 -0.916 0.000 0.775 296 G HN 0.449 nan 8.290 nan 0.000 0.543 297 H N 0.801 119.645 119.070 -0.377 0.000 2.265 297 H HA -0.110 4.446 4.556 0.001 0.000 0.293 297 H C 2.545 177.791 175.328 -0.137 0.000 1.089 297 H CA 2.245 58.208 56.048 -0.142 0.000 1.244 297 H CB 0.157 29.910 29.762 -0.014 0.000 1.355 297 H HN 0.246 nan 8.280 nan 0.000 0.485 298 E N -0.306 119.990 120.200 0.159 0.000 2.110 298 E HA -0.201 4.149 4.350 0.001 0.000 0.193 298 E C 2.098 178.787 176.600 0.148 0.000 0.988 298 E CA 1.031 57.586 56.400 0.259 0.000 0.804 298 E CB -0.744 29.147 29.700 0.318 0.000 0.745 298 E HN 0.649 nan 8.360 nan 0.000 0.458 299 Y N 0.763 120.980 120.300 -0.138 0.000 2.181 299 Y HA -0.211 4.340 4.550 0.001 0.000 0.288 299 Y C 1.878 177.737 175.900 -0.069 0.000 1.146 299 Y CA 1.231 59.229 58.100 -0.171 0.000 1.164 299 Y CB -0.334 37.802 38.460 -0.540 0.000 0.982 299 Y HN -0.118 nan 8.280 nan 0.000 0.515 300 F N -0.613 119.255 119.950 -0.137 0.000 2.269 300 F HA -0.180 4.347 4.527 0.001 0.000 0.301 300 F C 2.451 178.152 175.800 -0.166 0.000 1.082 300 F CA 1.181 59.062 58.000 -0.199 0.000 1.360 300 F CB -1.247 37.638 39.000 -0.192 0.000 1.041 300 F HN 0.234 nan 8.300 nan 0.000 0.512 301 H N -0.300 118.767 119.070 -0.005 0.000 2.489 301 H HA -0.115 4.441 4.556 0.001 0.000 0.293 301 H C 1.993 177.301 175.328 -0.034 0.000 1.066 301 H CA 1.010 57.061 56.048 0.005 0.000 1.305 301 H CB -0.515 29.258 29.762 0.018 0.000 1.386 301 H HN 0.232 nan 8.280 nan 0.000 0.551 302 N N -0.081 118.605 118.700 -0.024 0.000 2.192 302 N HA -0.192 4.548 4.740 0.001 0.000 0.188 302 N C 1.498 176.788 175.510 -0.367 0.000 1.013 302 N CA 1.550 54.471 53.050 -0.215 0.000 0.863 302 N CB -0.094 38.218 38.487 -0.291 0.000 0.990 302 N HN 0.287 nan 8.380 nan 0.000 0.430 303 W N -0.591 120.659 121.300 -0.084 0.000 2.780 303 W HA 0.237 4.898 4.660 0.001 0.000 0.272 303 W C 0.698 177.346 176.519 0.215 0.000 1.116 303 W CA 0.601 57.909 57.345 -0.062 0.000 1.600 303 W CB -0.564 28.747 29.460 -0.249 0.000 1.086 303 W HN -0.072 nan 8.180 nan 0.000 0.584 304 T N -0.987 113.854 114.554 0.479 0.000 3.688 304 T HA 0.607 4.958 4.350 0.001 0.000 0.307 304 T C 0.655 175.590 174.700 0.393 0.000 1.382 304 T CA 0.362 62.732 62.100 0.450 0.000 1.136 304 T CB -0.070 68.981 68.868 0.305 0.000 1.207 304 T HN 0.352 nan 8.240 nan 0.000 0.854 305 G N 3.085 112.080 108.800 0.325 0.000 3.675 305 G HA2 -0.182 3.778 3.960 0.001 0.000 0.206 305 G HA3 -0.182 3.778 3.960 0.001 0.000 0.206 305 G C 0.821 175.800 174.900 0.133 0.000 1.086 305 G CA -0.154 45.105 45.100 0.265 0.000 0.894 305 G HN 0.490 nan 8.290 nan 0.000 0.412 306 N N 0.552 119.270 118.700 0.030 0.000 2.413 306 N HA 0.160 4.901 4.740 0.001 0.000 0.193 306 N C 2.048 177.450 175.510 -0.182 0.000 1.043 306 N CA 0.644 53.618 53.050 -0.127 0.000 0.910 306 N CB -0.323 38.026 38.487 -0.229 0.000 1.111 306 N HN 0.056 nan 8.380 nan 0.000 0.452 307 R N 0.588 120.905 120.500 -0.305 0.000 2.127 307 R HA 0.061 4.402 4.340 0.001 0.000 0.238 307 R C -0.135 176.140 176.300 -0.042 0.000 1.134 307 R CA 0.500 56.396 56.100 -0.340 0.000 0.975 307 R CB -0.360 29.497 30.300 -0.739 0.000 0.865 307 R HN 0.101 nan 8.270 nan 0.000 0.447 308 V N 0.789 120.755 119.914 0.087 0.000 2.443 308 V HA 0.192 4.313 4.120 0.001 0.000 0.293 308 V C 0.287 176.454 176.094 0.122 0.000 1.021 308 V CA -0.472 61.895 62.300 0.113 0.000 0.848 308 V CB 1.940 33.821 31.823 0.097 0.000 0.998 308 V HN 0.094 nan 8.190 nan 0.000 0.424 309 T N 3.612 118.212 114.554 0.076 0.000 2.855 309 T HA 0.431 4.782 4.350 0.001 0.000 0.275 309 T C -0.239 174.485 174.700 0.040 0.000 1.022 309 T CA -0.278 61.877 62.100 0.092 0.000 0.977 309 T CB 1.322 70.242 68.868 0.088 0.000 1.559 309 T HN 0.683 nan 8.240 nan 0.000 0.600 310 C N 2.129 121.413 119.300 -0.028 0.000 2.319 310 C HA 0.519 4.980 4.460 0.001 0.000 0.335 310 C C 1.957 176.815 174.990 -0.219 0.000 1.274 310 C CA -0.724 58.202 59.018 -0.154 0.000 1.806 310 C CB 0.564 28.127 27.740 -0.296 0.000 2.329 310 C HN 1.028 nan 8.230 nan 0.000 0.524 311 R N 1.274 121.658 120.500 -0.193 0.000 2.096 311 R HA -0.087 4.254 4.340 0.001 0.000 0.235 311 R C 0.013 176.175 176.300 -0.230 0.000 1.127 311 R CA 1.996 57.973 56.100 -0.205 0.000 0.968 311 R CB 0.153 30.276 30.300 -0.295 0.000 0.861 311 R HN 1.003 nan 8.270 nan 0.000 0.440 312 D N -4.742 115.486 120.400 -0.287 0.000 2.615 312 D HA 0.061 4.701 4.640 0.001 0.000 0.267 312 D C -0.356 175.718 176.300 -0.376 0.000 1.236 312 D CA -0.804 53.038 54.000 -0.263 0.000 0.839 312 D CB -0.444 40.395 40.800 0.064 0.000 1.380 312 D HN -0.040 nan 8.370 nan 0.000 0.433 313 W N -0.861 120.347 121.300 -0.152 0.000 2.595 313 W HA 0.108 4.768 4.660 0.001 0.000 0.257 313 W C 1.069 177.376 176.519 -0.354 0.000 1.267 313 W CA -0.362 56.808 57.345 -0.292 0.000 1.300 313 W CB -0.214 29.031 29.460 -0.359 0.000 1.120 313 W HN 0.302 nan 8.180 nan 0.000 0.618 314 F N 0.154 120.135 119.950 0.051 0.000 2.502 314 F HA -0.142 4.386 4.527 0.001 0.000 0.298 314 F C 2.074 177.877 175.800 0.004 0.000 1.111 314 F CA 0.936 58.929 58.000 -0.012 0.000 1.445 314 F CB -0.557 38.424 39.000 -0.032 0.000 1.081 314 F HN -0.090 nan 8.300 nan 0.000 0.558 315 Q N 0.233 120.100 119.800 0.111 0.000 2.247 315 Q HA 0.085 4.425 4.340 0.001 0.000 0.205 315 Q C 2.033 178.055 176.000 0.037 0.000 0.896 315 Q CA 0.022 55.857 55.803 0.053 0.000 0.950 315 Q CB -0.323 28.396 28.738 -0.032 0.000 1.054 315 Q HN 0.404 nan 8.270 nan 0.000 0.482 316 L N 0.734 121.993 121.223 0.061 0.000 2.051 316 L HA -0.209 4.132 4.340 0.001 0.000 0.214 316 L C 2.156 179.028 176.870 0.002 0.000 1.076 316 L CA 1.934 56.803 54.840 0.048 0.000 0.758 316 L CB -0.808 41.232 42.059 -0.032 0.000 0.890 316 L HN 0.133 nan 8.230 nan 0.000 0.433 317 S N -1.284 114.430 115.700 0.023 0.000 2.442 317 S HA -0.156 4.314 4.470 0.001 0.000 0.236 317 S C 1.937 176.525 174.600 -0.020 0.000 1.007 317 S CA 1.109 59.309 58.200 0.000 0.000 0.965 317 S CB -0.552 62.686 63.200 0.064 0.000 0.773 317 S HN 0.475 nan 8.310 nan 0.000 0.504 318 L N 2.275 123.496 121.223 -0.004 0.000 2.081 318 L HA -0.166 4.174 4.340 0.001 0.000 0.212 318 L C 2.080 178.892 176.870 -0.097 0.000 1.080 318 L CA 2.393 57.182 54.840 -0.085 0.000 0.754 318 L CB -0.532 41.508 42.059 -0.031 0.000 0.893 318 L HN 0.481 nan 8.230 nan 0.000 0.433 319 K N -2.844 117.563 120.400 0.013 0.000 2.287 319 K HA 0.066 4.386 4.320 0.001 0.000 0.199 319 K C 1.715 178.383 176.600 0.113 0.000 1.061 319 K CA 0.335 56.692 56.287 0.118 0.000 0.976 319 K CB -0.322 32.318 32.500 0.234 0.000 0.898 319 K HN 0.114 nan 8.250 nan 0.000 0.492 320 E N 1.533 121.735 120.200 0.003 0.000 2.072 320 E HA -0.049 4.301 4.350 0.001 0.000 0.190 320 E C 2.248 178.735 176.600 -0.189 0.000 0.982 320 E CA 1.503 57.784 56.400 -0.198 0.000 0.803 320 E CB -0.464 28.811 29.700 -0.708 0.000 0.755 320 E HN 0.534 nan 8.360 nan 0.000 0.453 321 G N 1.548 110.269 108.800 -0.131 0.000 2.418 321 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 321 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 321 G C 1.612 176.512 174.900 0.001 0.000 1.158 321 G CA 0.768 45.839 45.100 -0.049 0.000 0.771 321 G HN 0.230 nan 8.290 nan 0.000 0.545 322 L N 0.926 122.104 121.223 -0.075 0.000 2.093 322 L HA 0.058 4.399 4.340 0.001 0.000 0.208 322 L C 2.752 179.655 176.870 0.056 0.000 1.085 322 L CA 2.409 57.226 54.840 -0.037 0.000 0.755 322 L CB -0.848 41.061 42.059 -0.249 0.000 0.904 322 L HN 0.161 nan 8.230 nan 0.000 0.435 323 T N -1.500 113.011 114.554 -0.070 0.000 2.942 323 T HA -0.069 4.282 4.350 0.001 0.000 0.265 323 T C 1.967 176.626 174.700 -0.069 0.000 1.062 323 T CA 1.234 63.191 62.100 -0.239 0.000 1.139 323 T CB -0.135 68.235 68.868 -0.831 0.000 0.883 323 T HN 0.167 nan 8.240 nan 0.000 0.468 324 V N 1.224 121.214 119.914 0.127 0.000 2.358 324 V HA -0.082 4.039 4.120 0.001 0.000 0.246 324 V C 1.962 178.176 176.094 0.201 0.000 1.047 324 V CA 1.362 63.825 62.300 0.271 0.000 1.035 324 V CB -0.660 31.320 31.823 0.262 0.000 0.658 324 V HN 0.458 nan 8.190 nan 0.000 0.452 325 F N 1.434 121.418 119.950 0.057 0.000 2.126 325 F HA -0.207 4.321 4.527 0.001 0.000 0.299 325 F C 2.497 178.337 175.800 0.066 0.000 1.096 325 F CA 1.841 59.870 58.000 0.050 0.000 1.255 325 F CB -0.271 38.768 39.000 0.065 0.000 0.997 325 F HN -0.025 nan 8.300 nan 0.000 0.479 326 R N 0.282 120.804 120.500 0.036 0.000 2.075 326 R HA -0.164 4.176 4.340 0.001 0.000 0.232 326 R C 1.981 178.164 176.300 -0.195 0.000 1.126 326 R CA 1.714 57.732 56.100 -0.137 0.000 0.963 326 R CB -0.717 29.421 30.300 -0.270 0.000 0.858 326 R HN 0.554 nan 8.270 nan 0.000 0.435 327 D N -0.157 120.296 120.400 0.089 0.000 2.219 327 D HA -0.172 4.468 4.640 0.001 0.000 0.205 327 D C 1.553 177.889 176.300 0.060 0.000 0.970 327 D CA 1.111 55.270 54.000 0.263 0.000 0.851 327 D CB -0.107 40.935 40.800 0.404 0.000 0.943 327 D HN 0.246 nan 8.370 nan 0.000 0.488 328 Q N -0.364 119.402 119.800 -0.058 0.000 2.123 328 Q HA -0.078 4.262 4.340 0.001 0.000 0.199 328 Q C 1.884 177.738 176.000 -0.243 0.000 0.966 328 Q CA 1.007 56.730 55.803 -0.133 0.000 0.845 328 Q CB 0.030 28.691 28.738 -0.129 0.000 0.907 328 Q HN 0.317 nan 8.270 nan 0.000 0.439 329 E N 0.306 120.298 120.200 -0.346 0.000 2.150 329 E HA -0.147 4.204 4.350 0.001 0.000 0.193 329 E C 1.663 178.090 176.600 -0.287 0.000 0.985 329 E CA 0.649 56.891 56.400 -0.263 0.000 0.814 329 E CB -0.178 29.423 29.700 -0.166 0.000 0.752 329 E HN 0.261 nan 8.360 nan 0.000 0.466 330 F N 2.013 121.405 119.950 -0.930 0.000 2.051 330 F HA -0.165 4.362 4.527 0.001 0.000 0.296 330 F C 2.383 177.804 175.800 -0.632 0.000 1.122 330 F CA 1.561 58.680 58.000 -1.468 0.000 1.201 330 F CB -0.611 37.647 39.000 -1.236 0.000 0.978 330 F HN -0.139 nan 8.300 nan 0.000 0.472 331 S N -0.001 115.380 115.700 -0.531 0.000 2.370 331 S HA -0.200 4.271 4.470 0.001 0.000 0.226 331 S C 2.208 176.581 174.600 -0.378 0.000 1.033 331 S CA 1.537 59.452 58.200 -0.474 0.000 1.011 331 S CB -0.646 62.421 63.200 -0.222 0.000 0.852 331 S HN 0.464 nan 8.310 nan 0.000 0.457 332 S N 1.460 116.986 115.700 -0.289 0.000 2.368 332 S HA -0.107 4.363 4.470 0.001 0.000 0.225 332 S C 1.553 176.033 174.600 -0.200 0.000 1.030 332 S CA 1.157 59.224 58.200 -0.223 0.000 0.999 332 S CB -0.454 62.640 63.200 -0.177 0.000 0.844 332 S HN 0.430 nan 8.310 nan 0.000 0.459 333 D N 1.021 121.324 120.400 -0.161 0.000 2.144 333 D HA -0.005 4.635 4.640 0.001 0.000 0.200 333 D C 1.695 177.931 176.300 -0.106 0.000 0.978 333 D CA 0.726 54.704 54.000 -0.036 0.000 0.833 333 D CB -0.223 40.715 40.800 0.229 0.000 0.961 333 D HN 0.193 nan 8.370 nan 0.000 0.470 334 L N -0.409 120.663 121.223 -0.252 0.000 2.240 334 L HA 0.178 4.519 4.340 0.001 0.000 0.211 334 L C 1.710 178.336 176.870 -0.407 0.000 1.106 334 L CA 0.889 55.588 54.840 -0.236 0.000 0.793 334 L CB -0.389 41.476 42.059 -0.323 0.000 0.927 334 L HN -0.006 nan 8.230 nan 0.000 0.446 335 G N -2.558 105.864 108.800 -0.631 0.000 3.341 335 G HA2 0.273 4.234 3.960 0.001 0.000 0.177 335 G HA3 0.273 4.234 3.960 0.001 0.000 0.177 335 G C -0.662 173.904 174.900 -0.557 0.000 1.236 335 G CA 0.066 44.448 45.100 -1.197 0.000 0.888 335 G HN -0.031 nan 8.290 nan 0.000 0.644 336 S N -0.425 115.039 115.700 -0.393 0.000 2.410 336 S HA 0.249 4.720 4.470 0.001 0.000 0.304 336 S C 1.357 175.858 174.600 -0.166 0.000 1.095 336 S CA -0.319 57.760 58.200 -0.203 0.000 1.089 336 S CB 1.095 64.219 63.200 -0.127 0.000 0.968 336 S HN 0.565 nan 8.310 nan 0.000 0.480 337 R N 4.257 124.676 120.500 -0.134 0.000 2.096 337 R HA -0.057 4.283 4.340 0.001 0.000 0.235 337 R C 2.129 178.377 176.300 -0.087 0.000 1.127 337 R CA 1.725 57.758 56.100 -0.113 0.000 0.968 337 R CB -0.597 29.652 30.300 -0.086 0.000 0.861 337 R HN 0.758 nan 8.270 nan 0.000 0.440 338 A N 0.247 123.032 122.820 -0.058 0.000 1.877 338 A HA -0.113 4.208 4.320 0.001 0.000 0.216 338 A C 2.250 179.790 177.584 -0.074 0.000 1.186 338 A CA 1.697 53.721 52.037 -0.021 0.000 0.620 338 A CB -0.634 18.364 19.000 -0.003 0.000 0.822 338 A HN 0.224 nan 8.150 nan 0.000 0.443 339 V N 1.010 120.859 119.914 -0.108 0.000 2.343 339 V HA -0.262 3.859 4.120 0.001 0.000 0.247 339 V C 2.345 178.344 176.094 -0.159 0.000 1.051 339 V CA 2.053 64.264 62.300 -0.149 0.000 1.036 339 V CB -0.952 30.805 31.823 -0.110 0.000 0.654 339 V HN 0.566 nan 8.190 nan 0.000 0.451 340 N N 0.153 118.773 118.700 -0.133 0.000 2.084 340 N HA -0.203 4.538 4.740 0.001 0.000 0.190 340 N C 2.074 177.504 175.510 -0.134 0.000 1.030 340 N CA 1.533 54.505 53.050 -0.129 0.000 0.849 340 N CB -0.238 38.168 38.487 -0.135 0.000 1.012 340 N HN 0.290 nan 8.380 nan 0.000 0.423 341 R N 1.521 121.946 120.500 -0.126 0.000 2.081 341 R HA 0.081 4.422 4.340 0.001 0.000 0.235 341 R C 2.214 178.441 176.300 -0.120 0.000 1.131 341 R CA 0.888 56.907 56.100 -0.134 0.000 0.960 341 R CB -0.697 29.509 30.300 -0.157 0.000 0.856 341 R HN 0.233 nan 8.270 nan 0.000 0.436 342 I N 0.615 121.094 120.570 -0.152 0.000 2.163 342 I HA -0.329 3.841 4.170 0.001 0.000 0.243 342 I C 1.982 177.796 176.117 -0.504 0.000 1.085 342 I CA 1.464 62.451 61.300 -0.522 0.000 1.347 342 I CB -0.439 36.984 38.000 -0.963 0.000 1.044 342 I HN 0.284 nan 8.210 nan 0.000 0.408 343 N N 0.949 119.454 118.700 -0.326 0.000 2.120 343 N HA -0.157 4.584 4.740 0.001 0.000 0.188 343 N C 1.517 176.936 175.510 -0.153 0.000 1.024 343 N CA 1.250 54.173 53.050 -0.212 0.000 0.852 343 N CB -0.355 38.047 38.487 -0.141 0.000 1.003 343 N HN 0.393 nan 8.380 nan 0.000 0.424 344 N N 0.504 119.121 118.700 -0.137 0.000 2.331 344 N HA -0.057 4.683 4.740 0.001 0.000 0.180 344 N C 1.777 177.202 175.510 -0.141 0.000 1.019 344 N CA 0.418 53.409 53.050 -0.098 0.000 0.881 344 N CB -0.203 38.246 38.487 -0.065 0.000 0.972 344 N HN 0.064 nan 8.380 nan 0.000 0.435 345 V N 1.309 121.102 119.914 -0.202 0.000 2.591 345 V HA -0.061 4.060 4.120 0.001 0.000 0.249 345 V C 2.281 178.216 176.094 -0.266 0.000 1.053 345 V CA 1.065 63.148 62.300 -0.362 0.000 1.068 345 V CB -0.274 31.400 31.823 -0.249 0.000 0.689 345 V HN 0.222 nan 8.190 nan 0.000 0.462 346 R N -0.210 120.211 120.500 -0.131 0.000 2.096 346 R HA -0.128 4.212 4.340 0.001 0.000 0.235 346 R C 2.389 178.633 176.300 -0.093 0.000 1.127 346 R CA 1.873 57.950 56.100 -0.038 0.000 0.968 346 R CB -0.601 29.700 30.300 0.002 0.000 0.861 346 R HN 0.468 nan 8.270 nan 0.000 0.440 347 T N 1.000 115.493 114.554 -0.101 0.000 2.777 347 T HA -0.093 4.257 4.350 0.001 0.000 0.266 347 T C 1.860 176.495 174.700 -0.109 0.000 1.040 347 T CA 0.986 63.041 62.100 -0.074 0.000 1.141 347 T CB -0.005 68.837 68.868 -0.043 0.000 0.868 347 T HN 0.055 nan 8.240 nan 0.000 0.444 348 M N 1.018 120.513 119.600 -0.176 0.000 2.067 348 M HA 0.011 4.492 4.480 0.001 0.000 0.260 348 M C 2.370 178.303 176.300 -0.611 0.000 1.069 348 M CA 1.635 56.795 55.300 -0.233 0.000 1.117 348 M CB -0.937 31.566 32.600 -0.161 0.000 1.334 348 M HN 0.172 nan 8.290 nan 0.000 0.407 349 R N -0.843 119.193 120.500 -0.773 0.000 2.075 349 R HA -0.056 4.285 4.340 0.001 0.000 0.232 349 R C 2.270 178.368 176.300 -0.337 0.000 1.126 349 R CA 1.358 56.904 56.100 -0.923 0.000 0.963 349 R CB -0.644 29.362 30.300 -0.490 0.000 0.858 349 R HN 0.503 nan 8.270 nan 0.000 0.435 350 G N -0.367 108.332 108.800 -0.168 0.000 2.603 350 G HA2 -0.017 3.944 3.960 0.001 0.000 0.214 350 G HA3 -0.017 3.944 3.960 0.001 0.000 0.214 350 G C 1.236 176.144 174.900 0.014 0.000 1.140 350 G CA 0.148 45.229 45.100 -0.032 0.000 0.800 350 G HN 0.092 nan 8.290 nan 0.000 0.533 351 L N -1.534 119.688 121.223 -0.002 0.000 2.641 351 L HA 0.216 4.557 4.340 0.001 0.000 0.207 351 L C 2.502 179.422 176.870 0.084 0.000 1.049 351 L CA 0.082 54.947 54.840 0.042 0.000 0.866 351 L CB -0.311 41.761 42.059 0.022 0.000 1.264 351 L HN 0.011 nan 8.230 nan 0.000 0.483 352 Q N 0.526 120.376 119.800 0.084 0.000 2.079 352 Q HA -0.139 4.202 4.340 0.001 0.000 0.200 352 Q C 2.225 178.413 176.000 0.314 0.000 0.974 352 Q CA 1.785 57.688 55.803 0.167 0.000 0.840 352 Q CB 0.002 28.845 28.738 0.174 0.000 0.898 352 Q HN 0.290 nan 8.270 nan 0.000 0.430 353 F N 0.673 120.678 119.950 0.092 0.000 2.161 353 F HA -0.116 4.412 4.527 0.001 0.000 0.300 353 F C 2.488 178.333 175.800 0.075 0.000 1.089 353 F CA 0.842 58.900 58.000 0.097 0.000 1.282 353 F CB -1.317 37.751 39.000 0.114 0.000 1.010 353 F HN 0.145 nan 8.300 nan 0.000 0.485 354 A N -0.423 122.559 122.820 0.269 0.000 1.933 354 A HA -0.239 4.082 4.320 0.001 0.000 0.218 354 A C 2.248 179.914 177.584 0.136 0.000 1.175 354 A CA 1.794 53.934 52.037 0.172 0.000 0.628 354 A CB -0.857 18.227 19.000 0.140 0.000 0.814 354 A HN 0.433 nan 8.150 nan 0.000 0.444 355 E N -0.541 119.738 120.200 0.131 0.000 2.072 355 E HA -0.216 4.135 4.350 0.001 0.000 0.191 355 E C 1.152 177.802 176.600 0.082 0.000 0.985 355 E CA 1.125 57.585 56.400 0.100 0.000 0.801 355 E CB -0.131 29.623 29.700 0.090 0.000 0.750 355 E HN 0.445 nan 8.360 nan 0.000 0.452 356 D N -0.579 119.873 120.400 0.087 0.000 2.350 356 D HA -0.032 4.609 4.640 0.001 0.000 0.216 356 D C 0.698 177.025 176.300 0.044 0.000 0.968 356 D CA 0.792 54.820 54.000 0.046 0.000 0.894 356 D CB 0.277 41.102 40.800 0.041 0.000 0.909 356 D HN 0.244 nan 8.370 nan 0.000 0.520 357 A N -0.133 122.726 122.820 0.065 0.000 2.500 357 A HA 0.293 4.614 4.320 0.001 0.000 0.267 357 A C 0.817 178.439 177.584 0.063 0.000 1.290 357 A CA -0.156 51.913 52.037 0.054 0.000 0.928 357 A CB 0.098 19.134 19.000 0.060 0.000 1.066 357 A HN 0.141 nan 8.150 nan 0.000 0.516 358 S N -1.334 114.409 115.700 0.072 0.000 2.739 358 S HA 0.610 5.080 4.470 0.001 0.000 0.306 358 S C -2.306 172.337 174.600 0.071 0.000 1.115 358 S CA -1.231 57.014 58.200 0.075 0.000 0.985 358 S CB 1.304 64.554 63.200 0.083 0.000 1.133 358 S HN -0.069 nan 8.310 nan 0.000 0.541 359 P HA 0.048 nan 4.420 nan 0.000 0.225 359 P C 0.837 178.178 177.300 0.068 0.000 1.148 359 P CA 0.983 64.118 63.100 0.058 0.000 0.779 359 P CB 0.007 31.732 31.700 0.041 0.000 0.780 360 M N -1.464 118.180 119.600 0.074 0.000 2.563 360 M HA 0.206 4.687 4.480 0.001 0.000 0.231 360 M C 0.737 177.172 176.300 0.226 0.000 1.136 360 M CA -1.027 54.328 55.300 0.092 0.000 1.026 360 M CB -1.458 31.161 32.600 0.033 0.000 1.597 360 M HN -0.219 nan 8.290 nan 0.000 0.495 361 A N 2.625 125.548 122.820 0.172 0.000 2.565 361 A HA 0.235 4.556 4.320 0.001 0.000 0.237 361 A C 0.222 177.971 177.584 0.275 0.000 1.053 361 A CA 0.561 52.691 52.037 0.155 0.000 0.755 361 A CB -0.317 18.736 19.000 0.088 0.000 0.980 361 A HN 0.693 nan 8.150 nan 0.000 0.506 362 H N -0.532 118.621 119.070 0.138 0.000 3.042 362 H HA 0.578 5.134 4.556 0.001 0.000 0.346 362 H C -3.496 171.931 175.328 0.166 0.000 1.294 362 H CA -2.199 53.960 56.048 0.186 0.000 1.141 362 H CB 0.543 30.489 29.762 0.307 0.000 1.872 362 H HN 0.339 nan 8.280 nan 0.000 0.541 363 P HA 0.141 nan 4.420 nan 0.000 0.274 363 P C 1.699 179.111 177.300 0.187 0.000 1.246 363 P CA -0.517 62.671 63.100 0.147 0.000 0.795 363 P CB 1.073 32.872 31.700 0.165 0.000 1.006 364 I N -1.573 119.067 120.570 0.117 0.000 2.567 364 I HA -0.066 4.105 4.170 0.001 0.000 0.257 364 I C 0.984 177.229 176.117 0.213 0.000 1.184 364 I CA 1.204 62.579 61.300 0.125 0.000 1.451 364 I CB -0.293 37.695 38.000 -0.020 0.000 1.089 364 I HN 0.138 nan 8.210 nan 0.000 0.441 365 R N 2.605 123.253 120.500 0.247 0.000 2.287 365 R HA 0.455 4.795 4.340 0.001 0.000 0.316 365 R C -2.628 173.825 176.300 0.254 0.000 1.050 365 R CA -2.029 54.232 56.100 0.268 0.000 0.983 365 R CB 0.807 31.289 30.300 0.303 0.000 1.140 365 R HN 0.044 nan 8.270 nan 0.000 0.528 366 P HA 0.002 nan 4.420 nan 0.000 0.268 366 P C -0.506 176.911 177.300 0.195 0.000 1.208 366 P CA 0.076 63.326 63.100 0.250 0.000 0.777 366 P CB 0.799 32.542 31.700 0.072 0.000 0.875 367 D N 0.129 120.592 120.400 0.106 0.000 2.423 367 D HA 0.131 4.772 4.640 0.001 0.000 0.212 367 D C 0.492 176.726 176.300 -0.111 0.000 1.060 367 D CA 0.862 54.833 54.000 -0.050 0.000 0.872 367 D CB 0.383 41.222 40.800 0.066 0.000 1.012 367 D HN 0.293 nan 8.370 nan 0.000 0.503 368 M N 1.257 120.852 119.600 -0.009 0.000 2.326 368 M HA 0.424 4.904 4.480 0.001 0.000 0.292 368 M C -2.271 173.930 176.300 -0.165 0.000 1.081 368 M CA -0.501 54.692 55.300 -0.179 0.000 0.919 368 M CB 2.542 35.069 32.600 -0.123 0.000 1.634 368 M HN -0.387 nan 8.290 nan 0.000 0.451 369 V N 5.975 125.763 119.914 -0.209 0.000 2.733 369 V HA 0.404 4.524 4.120 0.001 0.000 0.306 369 V C 0.074 176.108 176.094 -0.101 0.000 1.084 369 V CA -0.392 61.718 62.300 -0.317 0.000 0.905 369 V CB 2.192 33.605 31.823 -0.684 0.000 1.010 369 V HN 0.998 nan 8.190 nan 0.000 0.424 370 I N 1.553 122.164 120.570 0.069 0.000 2.900 370 I HA 0.246 4.416 4.170 0.001 0.000 0.251 370 I C 0.667 176.840 176.117 0.093 0.000 1.102 370 I CA 0.516 61.870 61.300 0.090 0.000 1.457 370 I CB 0.508 38.606 38.000 0.164 0.000 1.285 370 I HN 0.615 nan 8.210 nan 0.000 0.459 371 E N 1.034 121.327 120.200 0.155 0.000 2.141 371 E HA 0.167 4.517 4.350 0.001 0.000 0.259 371 E C 0.438 177.142 176.600 0.173 0.000 0.883 371 E CA -0.384 56.085 56.400 0.116 0.000 0.744 371 E CB 1.330 31.088 29.700 0.098 0.000 1.150 371 E HN 0.091 nan 8.360 nan 0.000 0.420 372 M N 3.871 123.503 119.600 0.053 0.000 2.267 372 M HA -0.055 4.426 4.480 0.001 0.000 0.263 372 M C 0.618 177.031 176.300 0.187 0.000 1.063 372 M CA 1.469 56.793 55.300 0.041 0.000 1.090 372 M CB -0.281 32.192 32.600 -0.213 0.000 1.392 372 M HN 0.447 nan 8.290 nan 0.000 0.422 373 N N 0.343 119.093 118.700 0.083 0.000 2.520 373 N HA -0.079 4.662 4.740 0.001 0.000 0.185 373 N C 0.663 176.239 175.510 0.109 0.000 1.068 373 N CA 0.660 53.742 53.050 0.053 0.000 0.911 373 N CB -0.504 37.922 38.487 -0.102 0.000 0.961 373 N HN 0.457 nan 8.380 nan 0.000 0.446 374 N N -0.274 118.484 118.700 0.098 0.000 2.398 374 N HA 0.046 4.786 4.740 0.001 0.000 0.188 374 N C 0.065 175.365 175.510 -0.351 0.000 1.122 374 N CA 0.192 53.170 53.050 -0.121 0.000 0.866 374 N CB 0.002 38.352 38.487 -0.229 0.000 0.970 374 N HN 0.217 nan 8.380 nan 0.000 0.462 375 F N -0.806 119.142 119.950 -0.004 0.000 2.647 375 F HA 0.240 4.768 4.527 0.001 0.000 0.300 375 F C -0.182 175.558 175.800 -0.099 0.000 1.106 375 F CA -0.461 57.472 58.000 -0.112 0.000 1.313 375 F CB 0.091 38.961 39.000 -0.216 0.000 1.007 375 F HN -0.103 nan 8.300 nan 0.000 0.536 376 Y N 1.088 121.450 120.300 0.105 0.000 2.812 376 Y HA 0.228 4.778 4.550 0.001 0.000 0.354 376 Y C 1.041 176.948 175.900 0.011 0.000 1.276 376 Y CA -1.099 57.106 58.100 0.175 0.000 1.639 376 Y CB -0.579 37.912 38.460 0.051 0.000 1.741 376 Y HN -0.026 nan 8.280 nan 0.000 0.479 377 T N -3.584 111.095 114.554 0.207 0.000 2.936 377 T HA 0.348 4.699 4.350 0.001 0.000 0.282 377 T C 1.193 176.003 174.700 0.183 0.000 1.003 377 T CA -0.808 61.388 62.100 0.159 0.000 1.005 377 T CB 1.114 70.146 68.868 0.273 0.000 1.097 377 T HN 0.406 nan 8.240 nan 0.000 0.532 378 L N 0.256 121.546 121.223 0.112 0.000 2.127 378 L HA -0.094 4.246 4.340 0.001 0.000 0.211 378 L C 2.986 179.954 176.870 0.162 0.000 1.089 378 L CA 1.418 56.327 54.840 0.114 0.000 0.757 378 L CB -0.974 41.133 42.059 0.080 0.000 0.899 378 L HN 0.845 nan 8.230 nan 0.000 0.434 379 T N -0.948 113.692 114.554 0.144 0.000 2.701 379 T HA -0.136 4.215 4.350 0.001 0.000 0.263 379 T C 1.984 176.777 174.700 0.155 0.000 1.040 379 T CA 1.337 63.482 62.100 0.075 0.000 1.147 379 T CB -0.202 68.534 68.868 -0.221 0.000 0.865 379 T HN 0.034 nan 8.240 nan 0.000 0.426 380 V N 0.185 120.266 119.914 0.278 0.000 2.407 380 V HA -0.161 3.960 4.120 0.001 0.000 0.248 380 V C 2.056 178.265 176.094 0.192 0.000 1.055 380 V CA 1.602 64.050 62.300 0.248 0.000 1.049 380 V CB -0.649 31.346 31.823 0.286 0.000 0.662 380 V HN 0.450 nan 8.190 nan 0.000 0.455 381 Y N 0.430 120.792 120.300 0.104 0.000 2.170 381 Y HA -0.025 4.525 4.550 0.001 0.000 0.280 381 Y C 2.570 178.528 175.900 0.096 0.000 1.097 381 Y CA 1.470 59.636 58.100 0.109 0.000 1.087 381 Y CB -0.680 37.843 38.460 0.105 0.000 1.016 381 Y HN 0.145 nan 8.280 nan 0.000 0.485 382 E N 0.382 120.748 120.200 0.277 0.000 2.047 382 E HA -0.170 4.180 4.350 0.001 0.000 0.191 382 E C 2.086 178.769 176.600 0.138 0.000 0.987 382 E CA 1.454 57.961 56.400 0.178 0.000 0.799 382 E CB -0.159 29.624 29.700 0.137 0.000 0.752 382 E HN 0.237 nan 8.360 nan 0.000 0.449 383 K N -0.088 120.390 120.400 0.130 0.000 2.148 383 K HA -0.075 4.245 4.320 0.001 0.000 0.204 383 K C 2.092 178.698 176.600 0.009 0.000 1.050 383 K CA 1.251 57.591 56.287 0.088 0.000 0.942 383 K CB -0.294 32.264 32.500 0.097 0.000 0.724 383 K HN 0.210 nan 8.250 nan 0.000 0.446 384 G N 0.588 109.404 108.800 0.028 0.000 2.440 384 G HA2 -0.290 3.670 3.960 0.001 0.000 0.218 384 G HA3 -0.290 3.670 3.960 0.001 0.000 0.218 384 G C 1.550 176.435 174.900 -0.026 0.000 1.154 384 G CA 0.949 46.031 45.100 -0.031 0.000 0.767 384 G HN 0.429 nan 8.290 nan 0.000 0.552 385 A N 0.526 123.377 122.820 0.052 0.000 1.930 385 A HA 0.027 4.348 4.320 0.001 0.000 0.217 385 A C 2.229 179.854 177.584 0.069 0.000 1.175 385 A CA 1.809 53.913 52.037 0.112 0.000 0.627 385 A CB -0.250 18.864 19.000 0.191 0.000 0.815 385 A HN 0.284 nan 8.150 nan 0.000 0.443 386 E N -0.020 120.198 120.200 0.029 0.000 2.153 386 E HA -0.108 4.242 4.350 0.001 0.000 0.194 386 E C 2.137 178.634 176.600 -0.172 0.000 0.988 386 E CA 1.218 57.598 56.400 -0.033 0.000 0.811 386 E CB -0.504 29.188 29.700 -0.014 0.000 0.746 386 E HN 0.417 nan 8.360 nan 0.000 0.466 387 V N 1.667 121.451 119.914 -0.217 0.000 2.379 387 V HA -0.205 3.916 4.120 0.001 0.000 0.245 387 V C 2.324 178.390 176.094 -0.047 0.000 1.044 387 V CA 1.001 63.143 62.300 -0.264 0.000 1.036 387 V CB -0.315 31.277 31.823 -0.385 0.000 0.664 387 V HN 0.197 nan 8.190 nan 0.000 0.453 388 I N 0.189 120.710 120.570 -0.083 0.000 2.226 388 I HA -0.209 3.962 4.170 0.001 0.000 0.245 388 I C 2.571 178.460 176.117 -0.380 0.000 1.100 388 I CA 1.661 62.884 61.300 -0.129 0.000 1.374 388 I CB -1.190 36.654 38.000 -0.261 0.000 1.057 388 I HN 0.318 nan 8.210 nan 0.000 0.413 389 R N 0.533 120.808 120.500 -0.375 0.000 2.120 389 R HA -0.122 4.219 4.340 0.001 0.000 0.234 389 R C 2.351 178.562 176.300 -0.149 0.000 1.123 389 R CA 1.171 57.113 56.100 -0.263 0.000 0.975 389 R CB -0.044 30.281 30.300 0.042 0.000 0.866 389 R HN 0.247 nan 8.270 nan 0.000 0.446 390 M N -0.051 119.466 119.600 -0.138 0.000 2.175 390 M HA -0.143 4.337 4.480 0.001 0.000 0.264 390 M C 2.085 178.248 176.300 -0.228 0.000 1.063 390 M CA 1.462 56.683 55.300 -0.131 0.000 1.119 390 M CB -0.080 32.479 32.600 -0.068 0.000 1.377 390 M HN 0.206 nan 8.290 nan 0.000 0.415 391 I N -0.985 119.438 120.570 -0.246 0.000 2.226 391 I HA -0.337 3.833 4.170 0.001 0.000 0.245 391 I C 2.672 178.730 176.117 -0.097 0.000 1.100 391 I CA 1.197 62.315 61.300 -0.302 0.000 1.374 391 I CB -0.810 37.139 38.000 -0.085 0.000 1.057 391 I HN 0.405 nan 8.210 nan 0.000 0.413 392 H N 1.030 119.971 119.070 -0.216 0.000 2.353 392 H HA -0.151 4.405 4.556 0.001 0.000 0.300 392 H C 2.111 177.331 175.328 -0.180 0.000 1.090 392 H CA 2.077 57.927 56.048 -0.331 0.000 1.327 392 H CB 0.085 29.418 29.762 -0.715 0.000 1.383 392 H HN 0.220 nan 8.280 nan 0.000 0.508 393 T N 1.390 115.916 114.554 -0.047 0.000 2.746 393 T HA -0.070 4.280 4.350 0.001 0.000 0.267 393 T C 2.406 177.041 174.700 -0.108 0.000 1.039 393 T CA 1.128 63.197 62.100 -0.053 0.000 1.142 393 T CB -0.159 68.685 68.868 -0.041 0.000 0.866 393 T HN 0.240 nan 8.240 nan 0.000 0.444 394 L N -0.185 120.947 121.223 -0.151 0.000 2.156 394 L HA 0.041 4.381 4.340 0.001 0.000 0.208 394 L C 1.988 178.784 176.870 -0.122 0.000 1.095 394 L CA 0.630 55.383 54.840 -0.144 0.000 0.770 394 L CB -0.222 41.688 42.059 -0.248 0.000 0.914 394 L HN 0.215 nan 8.230 nan 0.000 0.439 395 L N -1.099 120.038 121.223 -0.144 0.000 2.357 395 L HA 0.344 4.684 4.340 0.001 0.000 0.211 395 L C 0.976 177.760 176.870 -0.143 0.000 1.075 395 L CA 0.712 55.482 54.840 -0.117 0.000 0.830 395 L CB -0.354 41.660 42.059 -0.075 0.000 0.996 395 L HN 0.234 nan 8.230 nan 0.000 0.467 396 G N -0.232 108.413 108.800 -0.258 0.000 2.692 396 G HA2 -0.226 3.735 3.960 0.001 0.000 0.686 396 G HA3 -0.226 3.735 3.960 0.001 0.000 0.686 396 G C 0.383 175.063 174.900 -0.368 0.000 1.243 396 G CA 0.064 44.985 45.100 -0.298 0.000 0.782 396 G HN 0.139 nan 8.290 nan 0.000 0.625 397 E N 0.112 120.090 120.200 -0.369 0.000 2.070 397 E HA -0.186 4.165 4.350 0.001 0.000 0.197 397 E C 2.110 178.690 176.600 -0.032 0.000 1.004 397 E CA 2.553 58.856 56.400 -0.161 0.000 0.805 397 E CB -0.194 29.506 29.700 0.001 0.000 0.744 397 E HN 0.728 nan 8.360 nan 0.000 0.451 398 E N -0.440 119.729 120.200 -0.052 0.000 2.038 398 E HA -0.241 4.110 4.350 0.001 0.000 0.195 398 E C 1.796 178.377 176.600 -0.032 0.000 1.000 398 E CA 1.481 57.858 56.400 -0.038 0.000 0.803 398 E CB -0.171 29.504 29.700 -0.041 0.000 0.750 398 E HN 0.268 nan 8.360 nan 0.000 0.448 399 N N -0.170 118.506 118.700 -0.041 0.000 2.309 399 N HA -0.132 4.609 4.740 0.001 0.000 0.182 399 N C 1.605 177.089 175.510 -0.044 0.000 1.018 399 N CA 0.694 53.713 53.050 -0.051 0.000 0.876 399 N CB -0.345 38.104 38.487 -0.063 0.000 0.972 399 N HN 0.208 nan 8.380 nan 0.000 0.434 400 F N 2.372 122.227 119.950 -0.158 0.000 2.102 400 F HA -0.138 4.389 4.527 0.001 0.000 0.298 400 F C 2.311 178.065 175.800 -0.078 0.000 1.105 400 F CA 1.339 59.263 58.000 -0.126 0.000 1.239 400 F CB 0.020 38.965 39.000 -0.090 0.000 0.991 400 F HN -0.063 nan 8.300 nan 0.000 0.474 401 Q N 0.741 120.577 119.800 0.059 0.000 2.167 401 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 401 Q C 2.151 178.099 176.000 -0.087 0.000 0.970 401 Q CA 1.441 57.218 55.803 -0.042 0.000 0.855 401 Q CB -0.432 28.272 28.738 -0.058 0.000 0.911 401 Q HN 0.498 nan 8.270 nan 0.000 0.438 402 K N -0.300 120.048 120.400 -0.087 0.000 2.097 402 K HA -0.090 4.230 4.320 0.001 0.000 0.206 402 K C 2.089 178.612 176.600 -0.129 0.000 1.049 402 K CA 1.162 57.399 56.287 -0.084 0.000 0.933 402 K CB -0.277 32.178 32.500 -0.074 0.000 0.717 402 K HN 0.265 nan 8.250 nan 0.000 0.442 403 G N 1.192 109.858 108.800 -0.223 0.000 2.402 403 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 403 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 403 G C 1.474 176.180 174.900 -0.323 0.000 1.162 403 G CA 0.476 45.380 45.100 -0.326 0.000 0.777 403 G HN 0.045 nan 8.290 nan 0.000 0.539 404 M N 0.349 119.758 119.600 -0.319 0.000 2.117 404 M HA -0.074 4.406 4.480 0.001 0.000 0.262 404 M C 2.624 178.904 176.300 -0.034 0.000 1.065 404 M CA 1.227 56.423 55.300 -0.174 0.000 1.114 404 M CB -1.252 31.386 32.600 0.064 0.000 1.361 404 M HN 0.334 nan 8.290 nan 0.000 0.408 405 Q N -0.207 119.619 119.800 0.043 0.000 2.084 405 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 405 Q C 2.080 178.124 176.000 0.074 0.000 0.978 405 Q CA 1.223 57.094 55.803 0.113 0.000 0.844 405 Q CB -0.307 28.456 28.738 0.043 0.000 0.898 405 Q HN 0.300 nan 8.270 nan 0.000 0.426 406 L N -0.349 120.874 121.223 -0.000 0.000 2.093 406 L HA -0.160 4.180 4.340 0.001 0.000 0.208 406 L C 2.100 178.982 176.870 0.021 0.000 1.085 406 L CA 1.582 56.416 54.840 -0.009 0.000 0.755 406 L CB -0.630 41.401 42.059 -0.048 0.000 0.904 406 L HN 0.222 nan 8.230 nan 0.000 0.435 407 Y N -0.529 119.685 120.300 -0.144 0.000 2.128 407 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 407 Y C 2.105 178.002 175.900 -0.003 0.000 1.154 407 Y CA 1.881 59.926 58.100 -0.093 0.000 1.149 407 Y CB -0.645 37.649 38.460 -0.277 0.000 0.976 407 Y HN 0.203 nan 8.280 nan 0.000 0.505 408 F N 0.797 120.768 119.950 0.034 0.000 2.186 408 F HA -0.094 4.434 4.527 0.001 0.000 0.299 408 F C 2.403 178.182 175.800 -0.034 0.000 1.090 408 F CA 1.574 59.552 58.000 -0.037 0.000 1.307 408 F CB -0.919 38.101 39.000 0.034 0.000 1.019 408 F HN 0.112 nan 8.300 nan 0.000 0.489 409 E N -0.013 120.267 120.200 0.134 0.000 2.085 409 E HA -0.215 4.135 4.350 0.001 0.000 0.194 409 E C 2.327 178.897 176.600 -0.050 0.000 0.994 409 E CA 1.295 57.723 56.400 0.047 0.000 0.801 409 E CB -0.152 29.558 29.700 0.017 0.000 0.743 409 E HN 0.401 nan 8.360 nan 0.000 0.453 410 R N -0.479 119.913 120.500 -0.180 0.000 2.093 410 R HA -0.009 4.332 4.340 0.001 0.000 0.224 410 R C 1.613 177.569 176.300 -0.573 0.000 1.101 410 R CA 0.885 56.726 56.100 -0.432 0.000 0.979 410 R CB 0.096 29.977 30.300 -0.697 0.000 0.877 410 R HN 0.285 nan 8.270 nan 0.000 0.441 411 H N -0.746 118.286 119.070 -0.064 0.000 2.755 411 H HA 0.110 4.667 4.556 0.001 0.000 0.273 411 H C -0.261 175.050 175.328 -0.028 0.000 1.055 411 H CA -0.488 55.510 56.048 -0.084 0.000 1.191 411 H CB 0.168 29.805 29.762 -0.207 0.000 1.536 411 H HN 0.065 nan 8.280 nan 0.000 0.529 412 D N 0.992 121.462 120.400 0.117 0.000 2.493 412 D HA 0.065 4.706 4.640 0.001 0.000 0.240 412 D C 1.428 177.794 176.300 0.110 0.000 1.142 412 D CA 1.646 55.750 54.000 0.172 0.000 0.872 412 D CB 0.387 41.325 40.800 0.229 0.000 1.173 412 D HN 0.605 nan 8.370 nan 0.000 0.467 413 G N 2.303 111.155 108.800 0.086 0.000 2.143 413 G HA2 -0.186 3.775 3.960 0.001 0.000 0.249 413 G HA3 -0.186 3.775 3.960 0.001 0.000 0.249 413 G C 0.261 175.202 174.900 0.068 0.000 0.981 413 G CA 0.699 45.846 45.100 0.079 0.000 0.665 413 G HN 1.119 nan 8.290 nan 0.000 0.528 414 S N -1.433 114.308 115.700 0.069 0.000 2.732 414 S HA 0.914 5.384 4.470 0.001 0.000 0.293 414 S C -0.248 174.380 174.600 0.048 0.000 1.159 414 S CA 0.176 58.415 58.200 0.065 0.000 0.847 414 S CB 1.989 65.245 63.200 0.093 0.000 1.169 414 S HN 1.907 nan 8.310 nan 0.000 0.501 415 A N 0.214 123.052 122.820 0.030 0.000 2.276 415 A HA 0.892 5.212 4.320 0.001 0.000 0.316 415 A C 0.185 177.751 177.584 -0.031 0.000 1.229 415 A CA -0.303 51.731 52.037 -0.004 0.000 0.851 415 A CB 0.300 19.287 19.000 -0.022 0.000 1.165 415 A HN 1.583 nan 8.150 nan 0.000 0.513 416 A N 1.627 124.412 122.820 -0.058 0.000 2.414 416 A HA 0.973 5.293 4.320 0.001 0.000 0.278 416 A C 0.326 177.840 177.584 -0.117 0.000 1.228 416 A CA 0.077 52.036 52.037 -0.130 0.000 0.857 416 A CB 0.869 19.718 19.000 -0.252 0.000 1.389 416 A HN 1.571 nan 8.150 nan 0.000 0.452 417 T N -3.828 110.646 114.554 -0.132 0.000 2.930 417 T HA 0.391 4.741 4.350 0.001 0.000 0.290 417 T C 0.883 175.541 174.700 -0.071 0.000 1.052 417 T CA -0.047 61.990 62.100 -0.106 0.000 1.017 417 T CB 0.722 69.513 68.868 -0.128 0.000 1.137 417 T HN 0.593 nan 8.240 nan 0.000 0.511 418 C N 0.411 119.663 119.300 -0.080 0.000 2.413 418 C HA -0.057 4.403 4.460 0.001 0.000 0.276 418 C C 2.523 177.387 174.990 -0.211 0.000 1.248 418 C CA 1.559 60.494 59.018 -0.138 0.000 1.742 418 C CB -1.390 26.239 27.740 -0.184 0.000 2.017 418 C HN 1.137 nan 8.230 nan 0.000 0.481 419 D N 0.620 120.906 120.400 -0.190 0.000 2.144 419 D HA -0.138 4.503 4.640 0.001 0.000 0.199 419 D C 1.647 177.902 176.300 -0.074 0.000 0.984 419 D CA 1.307 55.218 54.000 -0.149 0.000 0.834 419 D CB -0.200 40.544 40.800 -0.093 0.000 0.955 419 D HN 0.407 nan 8.370 nan 0.000 0.465 420 D N -0.636 119.730 120.400 -0.057 0.000 2.117 420 D HA -0.179 4.461 4.640 0.001 0.000 0.197 420 D C 1.754 178.086 176.300 0.053 0.000 0.987 420 D CA 0.594 54.578 54.000 -0.026 0.000 0.829 420 D CB -0.464 40.172 40.800 -0.274 0.000 0.961 420 D HN 0.296 nan 8.370 nan 0.000 0.460 421 F N 1.569 121.437 119.950 -0.137 0.000 2.102 421 F HA -0.208 4.320 4.527 0.001 0.000 0.298 421 F C 2.226 177.904 175.800 -0.204 0.000 1.105 421 F CA 1.036 58.868 58.000 -0.280 0.000 1.239 421 F CB -0.343 38.386 39.000 -0.452 0.000 0.991 421 F HN -0.226 nan 8.300 nan 0.000 0.474 422 V N 0.245 120.076 119.914 -0.139 0.000 2.343 422 V HA -0.319 3.802 4.120 0.001 0.000 0.247 422 V C 2.348 178.338 176.094 -0.173 0.000 1.051 422 V CA 2.114 64.317 62.300 -0.162 0.000 1.036 422 V CB -0.873 30.930 31.823 -0.032 0.000 0.654 422 V HN 0.364 nan 8.190 nan 0.000 0.451 423 Q N 0.473 120.212 119.800 -0.102 0.000 2.124 423 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 423 Q C 2.143 178.089 176.000 -0.091 0.000 0.977 423 Q CA 2.104 57.873 55.803 -0.058 0.000 0.850 423 Q CB -0.590 28.148 28.738 0.001 0.000 0.901 423 Q HN 0.613 nan 8.270 nan 0.000 0.429 424 A N -0.242 122.504 122.820 -0.123 0.000 1.902 424 A HA -0.164 4.156 4.320 0.001 0.000 0.217 424 A C 1.994 179.423 177.584 -0.260 0.000 1.181 424 A CA 1.662 53.616 52.037 -0.139 0.000 0.623 424 A CB -0.475 18.480 19.000 -0.076 0.000 0.818 424 A HN 0.399 nan 8.150 nan 0.000 0.443 425 M N -0.739 118.606 119.600 -0.426 0.000 2.132 425 M HA -0.127 4.354 4.480 0.001 0.000 0.263 425 M C 2.084 178.241 176.300 -0.238 0.000 1.065 425 M CA 1.855 56.902 55.300 -0.421 0.000 1.122 425 M CB -1.193 31.078 32.600 -0.549 0.000 1.365 425 M HN 0.706 nan 8.290 nan 0.000 0.411 426 E N 0.403 120.497 120.200 -0.176 0.000 2.047 426 E HA -0.216 4.134 4.350 0.001 0.000 0.191 426 E C 1.392 177.945 176.600 -0.079 0.000 0.987 426 E CA 1.457 57.798 56.400 -0.098 0.000 0.799 426 E CB 0.170 29.840 29.700 -0.051 0.000 0.752 426 E HN 0.363 nan 8.360 nan 0.000 0.449 427 D N 0.180 120.533 120.400 -0.078 0.000 2.144 427 D HA -0.125 4.515 4.640 0.001 0.000 0.200 427 D C 1.766 178.027 176.300 -0.065 0.000 0.978 427 D CA 1.331 55.297 54.000 -0.058 0.000 0.833 427 D CB -0.275 40.497 40.800 -0.046 0.000 0.961 427 D HN 0.301 nan 8.370 nan 0.000 0.470 428 A N 0.655 123.420 122.820 -0.092 0.000 1.968 428 A HA -0.094 4.226 4.320 0.001 0.000 0.217 428 A C 2.260 179.796 177.584 -0.081 0.000 1.169 428 A CA 1.905 53.889 52.037 -0.089 0.000 0.638 428 A CB -0.259 18.670 19.000 -0.119 0.000 0.812 428 A HN 0.308 nan 8.150 nan 0.000 0.446 429 S N -1.847 113.799 115.700 -0.091 0.000 2.492 429 S HA 0.065 4.536 4.470 0.001 0.000 0.218 429 S C 0.826 175.394 174.600 -0.053 0.000 1.016 429 S CA 0.836 58.991 58.200 -0.075 0.000 0.916 429 S CB -0.212 62.933 63.200 -0.092 0.000 0.791 429 S HN 0.659 nan 8.310 nan 0.000 0.513 430 N N -0.033 118.639 118.700 -0.047 0.000 2.829 430 N HA -0.152 4.588 4.740 0.001 0.000 0.250 430 N C -1.030 174.468 175.510 -0.019 0.000 1.090 430 N CA 0.824 53.856 53.050 -0.029 0.000 0.781 430 N CB -1.905 36.568 38.487 -0.023 0.000 1.124 430 N HN 0.364 nan 8.380 nan 0.000 0.559 431 V N 1.069 120.966 119.914 -0.028 0.000 2.383 431 V HA 0.238 4.358 4.120 0.001 0.000 0.275 431 V C 0.378 176.477 176.094 0.009 0.000 1.036 431 V CA -0.617 61.677 62.300 -0.011 0.000 0.889 431 V CB 1.394 33.195 31.823 -0.037 0.000 0.985 431 V HN 0.286 nan 8.190 nan 0.000 0.459 432 D N 4.601 125.031 120.400 0.049 0.000 2.358 432 D HA 0.157 4.798 4.640 0.001 0.000 0.258 432 D C 0.377 176.761 176.300 0.141 0.000 1.223 432 D CA 0.308 54.356 54.000 0.080 0.000 0.886 432 D CB 0.765 41.615 40.800 0.085 0.000 1.120 432 D HN 0.469 nan 8.370 nan 0.000 0.482 433 L N 3.156 124.462 121.223 0.139 0.000 3.066 433 L HA 0.086 4.426 4.340 0.001 0.000 0.265 433 L C 1.964 179.016 176.870 0.305 0.000 1.232 433 L CA -0.181 54.800 54.840 0.235 0.000 1.031 433 L CB -0.010 42.129 42.059 0.133 0.000 1.379 433 L HN 0.390 nan 8.230 nan 0.000 0.563 434 S N -1.362 114.479 115.700 0.235 0.000 2.356 434 S HA -0.288 4.183 4.470 0.001 0.000 0.223 434 S C 1.860 176.631 174.600 0.286 0.000 1.032 434 S CA 1.494 59.818 58.200 0.206 0.000 1.005 434 S CB -0.493 62.787 63.200 0.134 0.000 0.867 434 S HN 0.618 nan 8.310 nan 0.000 0.449 435 H N -0.397 118.796 119.070 0.205 0.000 2.363 435 H HA -0.015 4.542 4.556 0.001 0.000 0.301 435 H C 1.983 177.475 175.328 0.274 0.000 1.074 435 H CA 1.079 57.238 56.048 0.186 0.000 1.354 435 H CB -0.232 29.619 29.762 0.148 0.000 1.397 435 H HN 0.447 nan 8.280 nan 0.000 0.516 436 F N 2.041 122.184 119.950 0.322 0.000 2.192 436 F HA -0.198 4.330 4.527 0.001 0.000 0.301 436 F C 2.397 178.426 175.800 0.381 0.000 1.079 436 F CA 1.334 59.526 58.000 0.320 0.000 1.303 436 F CB -0.209 38.947 39.000 0.260 0.000 1.024 436 F HN 0.037 nan 8.300 nan 0.000 0.494 437 R N -0.203 120.528 120.500 0.386 0.000 2.211 437 R HA -0.225 4.116 4.340 0.001 0.000 0.240 437 R C 2.312 178.761 176.300 0.248 0.000 1.144 437 R CA 1.359 57.659 56.100 0.333 0.000 0.992 437 R CB -0.485 29.949 30.300 0.223 0.000 0.869 437 R HN 0.308 nan 8.270 nan 0.000 0.462 438 R N 0.038 120.608 120.500 0.116 0.000 2.200 438 R HA -0.173 4.167 4.340 0.001 0.000 0.234 438 R C 1.283 177.552 176.300 -0.053 0.000 1.127 438 R CA 1.318 57.428 56.100 0.017 0.000 0.989 438 R CB -0.171 30.106 30.300 -0.038 0.000 0.869 438 R HN 0.317 nan 8.270 nan 0.000 0.459 439 W N -0.775 120.411 121.300 -0.191 0.000 2.421 439 W HA -0.160 4.500 4.660 0.001 0.000 0.270 439 W C 1.212 177.589 176.519 -0.236 0.000 1.233 439 W CA 0.579 57.735 57.345 -0.314 0.000 1.226 439 W CB -0.064 28.996 29.460 -0.667 0.000 1.121 439 W HN 0.168 nan 8.180 nan 0.000 0.579 440 Y N -1.541 118.831 120.300 0.121 0.000 2.475 440 Y HA -0.069 4.481 4.550 0.001 0.000 0.289 440 Y C 2.316 178.272 175.900 0.094 0.000 1.121 440 Y CA 1.196 59.363 58.100 0.112 0.000 1.257 440 Y CB -0.263 38.260 38.460 0.105 0.000 1.026 440 Y HN -0.230 nan 8.280 nan 0.000 0.555 441 S N -1.161 114.661 115.700 0.203 0.000 2.502 441 S HA 0.028 4.498 4.470 0.001 0.000 0.215 441 S C 0.525 175.176 174.600 0.085 0.000 1.009 441 S CA -0.222 58.059 58.200 0.135 0.000 0.908 441 S CB 0.224 63.488 63.200 0.107 0.000 0.801 441 S HN 0.299 nan 8.310 nan 0.000 0.505 442 Q N 2.228 122.054 119.800 0.043 0.000 2.307 442 Q HA 0.457 4.797 4.340 0.001 0.000 0.262 442 Q C -0.380 175.630 176.000 0.017 0.000 0.961 442 Q CA -0.516 55.289 55.803 0.003 0.000 0.882 442 Q CB 1.108 29.798 28.738 -0.080 0.000 1.264 442 Q HN 0.361 nan 8.270 nan 0.000 0.446 443 S N 2.289 118.007 115.700 0.030 0.000 2.707 443 S HA 0.930 5.400 4.470 0.001 0.000 0.276 443 S C 0.276 174.877 174.600 0.003 0.000 1.179 443 S CA 0.013 58.231 58.200 0.030 0.000 0.992 443 S CB 1.304 64.539 63.200 0.058 0.000 1.030 443 S HN 1.184 nan 8.310 nan 0.000 0.554 444 G N -0.149 108.650 108.800 -0.001 0.000 2.730 444 G HA2 0.028 3.988 3.960 0.001 0.000 0.686 444 G HA3 0.028 3.988 3.960 0.001 0.000 0.686 444 G C -0.565 174.306 174.900 -0.048 0.000 1.343 444 G CA -0.528 44.557 45.100 -0.025 0.000 0.826 444 G HN 1.087 nan 8.290 nan 0.000 0.582 445 T N 3.645 118.129 114.554 -0.118 0.000 2.744 445 T HA 0.600 4.951 4.350 0.001 0.000 0.291 445 T C -2.155 172.453 174.700 -0.152 0.000 0.957 445 T CA -0.665 61.306 62.100 -0.216 0.000 1.002 445 T CB 1.747 70.264 68.868 -0.584 0.000 0.919 445 T HN 0.494 nan 8.240 nan 0.000 0.468 446 P HA 0.325 nan 4.420 nan 0.000 0.271 446 P C -0.620 176.665 177.300 -0.025 0.000 1.218 446 P CA -0.395 62.672 63.100 -0.054 0.000 0.780 446 P CB 0.538 32.219 31.700 -0.032 0.000 0.901 447 I N 2.023 122.588 120.570 -0.009 0.000 2.355 447 I HA 0.241 4.411 4.170 0.001 0.000 0.288 447 I C -0.521 175.624 176.117 0.047 0.000 0.999 447 I CA -0.880 60.436 61.300 0.026 0.000 1.163 447 I CB 1.620 39.627 38.000 0.012 0.000 1.316 447 I HN -0.060 nan 8.210 nan 0.000 0.454 448 V N 5.465 125.435 119.914 0.094 0.000 2.347 448 V HA 0.316 4.436 4.120 0.001 0.000 0.280 448 V C 0.198 176.338 176.094 0.077 0.000 1.021 448 V CA -0.331 62.013 62.300 0.074 0.000 0.847 448 V CB 1.479 33.375 31.823 0.122 0.000 0.990 448 V HN 0.700 nan 8.190 nan 0.000 0.444 449 T N 4.961 119.532 114.554 0.028 0.000 2.795 449 T HA 0.606 4.957 4.350 0.001 0.000 0.282 449 T C -0.285 174.425 174.700 0.017 0.000 0.980 449 T CA -0.341 61.782 62.100 0.038 0.000 1.012 449 T CB 1.544 70.423 68.868 0.018 0.000 0.936 449 T HN 0.345 nan 8.240 nan 0.000 0.457 450 V N 4.289 124.247 119.914 0.074 0.000 2.540 450 V HA 0.524 4.644 4.120 0.001 0.000 0.302 450 V C -0.226 175.956 176.094 0.147 0.000 1.035 450 V CA -0.914 61.442 62.300 0.095 0.000 0.873 450 V CB 1.881 33.785 31.823 0.136 0.000 0.992 450 V HN 0.745 nan 8.190 nan 0.000 0.428 451 K N 3.331 123.779 120.400 0.080 0.000 2.378 451 K HA 0.660 4.980 4.320 0.001 0.000 0.252 451 K C -1.394 175.238 176.600 0.053 0.000 0.931 451 K CA -0.817 55.495 56.287 0.041 0.000 0.794 451 K CB 2.333 34.825 32.500 -0.013 0.000 1.181 451 K HN 0.900 nan 8.250 nan 0.000 0.425 452 D N 0.399 120.842 120.400 0.072 0.000 2.493 452 D HA 0.490 5.130 4.640 0.001 0.000 0.239 452 D C -1.230 175.067 176.300 -0.004 0.000 1.049 452 D CA -0.563 53.427 54.000 -0.016 0.000 1.008 452 D CB 1.825 42.664 40.800 0.066 0.000 1.398 452 D HN 0.421 nan 8.370 nan 0.000 0.513 453 D N -1.535 118.825 120.400 -0.067 0.000 2.937 453 D HA 0.289 4.930 4.640 0.001 0.000 0.215 453 D C -2.146 174.263 176.300 0.181 0.000 1.274 453 D CA -0.528 53.507 54.000 0.059 0.000 0.869 453 D CB 1.145 41.946 40.800 0.002 0.000 1.675 453 D HN 0.338 nan 8.370 nan 0.000 0.538 454 Y N 3.699 124.100 120.300 0.168 0.000 2.328 454 Y HA 0.516 5.067 4.550 0.001 0.000 0.337 454 Y C -1.068 174.909 175.900 0.127 0.000 0.966 454 Y CA -0.983 57.255 58.100 0.230 0.000 1.136 454 Y CB 1.149 39.764 38.460 0.259 0.000 1.170 454 Y HN 0.352 nan 8.280 nan 0.000 0.470 455 N N 8.787 127.176 118.700 -0.520 0.000 2.485 455 N HA 0.253 4.994 4.740 0.001 0.000 0.243 455 N C -2.128 172.989 175.510 -0.655 0.000 0.987 455 N CA -2.238 50.558 53.050 -0.423 0.000 0.940 455 N CB 1.810 40.171 38.487 -0.210 0.000 1.122 455 N HN 0.440 nan 8.380 nan 0.000 0.509 456 P HA -0.100 nan 4.420 nan 0.000 0.218 456 P C 0.563 177.780 177.300 -0.138 0.000 1.149 456 P CA 1.151 64.087 63.100 -0.274 0.000 0.817 456 P CB 0.681 32.363 31.700 -0.030 0.000 0.785 457 E N -0.141 119.989 120.200 -0.117 0.000 2.106 457 E HA -0.101 4.250 4.350 0.001 0.000 0.192 457 E C 1.786 178.347 176.600 -0.064 0.000 0.984 457 E CA 1.965 58.325 56.400 -0.065 0.000 0.806 457 E CB -0.382 29.286 29.700 -0.052 0.000 0.750 457 E HN 0.408 nan 8.360 nan 0.000 0.458 458 T N -2.628 111.869 114.554 -0.095 0.000 3.023 458 T HA 0.121 4.471 4.350 0.001 0.000 0.253 458 T C 0.201 174.866 174.700 -0.059 0.000 1.038 458 T CA -0.161 61.901 62.100 -0.064 0.000 0.962 458 T CB 0.135 68.967 68.868 -0.060 0.000 1.018 458 T HN 0.089 nan 8.240 nan 0.000 0.521 459 E N 1.166 121.297 120.200 -0.116 0.000 2.389 459 E HA -0.180 4.171 4.350 0.001 0.000 0.243 459 E C -0.647 175.961 176.600 0.012 0.000 1.154 459 E CA 0.294 56.663 56.400 -0.051 0.000 0.723 459 E CB -1.515 28.220 29.700 0.058 0.000 1.261 459 E HN 0.732 nan 8.360 nan 0.000 0.390 460 Q N 0.047 119.821 119.800 -0.044 0.000 2.365 460 Q HA 0.532 4.873 4.340 0.001 0.000 0.269 460 Q C -1.081 175.056 176.000 0.230 0.000 1.061 460 Q CA -0.810 55.050 55.803 0.095 0.000 0.816 460 Q CB 1.930 30.687 28.738 0.032 0.000 1.325 460 Q HN 0.247 nan 8.270 nan 0.000 0.446 461 Y N 0.958 121.405 120.300 0.246 0.000 2.335 461 Y HA 0.410 4.960 4.550 0.001 0.000 0.338 461 Y C -1.020 175.067 175.900 0.313 0.000 0.977 461 Y CA -0.309 57.987 58.100 0.328 0.000 1.114 461 Y CB 1.619 40.282 38.460 0.340 0.000 1.182 461 Y HN 0.469 nan 8.280 nan 0.000 0.463 462 T N 7.551 121.981 114.554 -0.207 0.000 2.807 462 T HA 0.527 4.878 4.350 0.001 0.000 0.279 462 T C -0.815 173.712 174.700 -0.288 0.000 0.993 462 T CA -0.615 61.385 62.100 -0.167 0.000 0.970 462 T CB 0.752 69.563 68.868 -0.095 0.000 0.950 462 T HN 0.514 nan 8.240 nan 0.000 0.441 463 L N 3.071 124.254 121.223 -0.068 0.000 2.305 463 L HA 0.462 4.802 4.340 0.001 0.000 0.284 463 L C 0.111 177.029 176.870 0.080 0.000 1.013 463 L CA -0.694 54.153 54.840 0.012 0.000 0.819 463 L CB 1.572 43.745 42.059 0.190 0.000 1.227 463 L HN 0.600 nan 8.230 nan 0.000 0.417 464 T N 4.899 119.467 114.554 0.023 0.000 2.801 464 T HA 0.545 4.896 4.350 0.001 0.000 0.306 464 T C -0.025 174.686 174.700 0.018 0.000 1.020 464 T CA -0.182 61.923 62.100 0.008 0.000 0.948 464 T CB 0.394 69.246 68.868 -0.026 0.000 0.962 464 T HN 0.263 nan 8.240 nan 0.000 0.465 465 I N 2.541 123.136 120.570 0.042 0.000 2.404 465 I HA 0.456 4.626 4.170 0.001 0.000 0.293 465 I C 0.276 176.382 176.117 -0.019 0.000 0.992 465 I CA -0.575 60.715 61.300 -0.018 0.000 1.149 465 I CB 1.756 39.715 38.000 -0.068 0.000 1.315 465 I HN 0.486 nan 8.210 nan 0.000 0.446 466 S N 4.961 120.639 115.700 -0.036 0.000 2.600 466 S HA 0.665 5.135 4.470 0.001 0.000 0.300 466 S C -0.922 173.664 174.600 -0.022 0.000 1.087 466 S CA -0.829 57.357 58.200 -0.024 0.000 0.965 466 S CB 2.173 65.361 63.200 -0.020 0.000 1.089 466 S HN 0.669 nan 8.310 nan 0.000 0.496 467 Q N 0.643 120.434 119.800 -0.014 0.000 2.416 467 Q HA 0.795 5.135 4.340 0.001 0.000 0.281 467 Q C -1.259 174.729 176.000 -0.020 0.000 1.067 467 Q CA -1.240 54.557 55.803 -0.011 0.000 0.809 467 Q CB 2.103 30.837 28.738 -0.007 0.000 1.418 467 Q HN 0.768 nan 8.270 nan 0.000 0.411 468 R N -0.207 120.278 120.500 -0.025 0.000 2.664 468 R HA 0.572 4.913 4.340 0.001 0.000 0.260 468 R C -1.715 174.558 176.300 -0.044 0.000 1.062 468 R CA -0.677 55.403 56.100 -0.034 0.000 0.902 468 R CB 1.868 32.154 30.300 -0.023 0.000 1.258 468 R HN 0.587 nan 8.270 nan 0.000 0.465 469 T N 4.090 118.611 114.554 -0.055 0.000 2.815 469 T HA 0.442 4.793 4.350 0.001 0.000 0.289 469 T C -2.452 172.222 174.700 -0.042 0.000 1.000 469 T CA -1.314 60.749 62.100 -0.062 0.000 0.958 469 T CB 1.630 70.445 68.868 -0.089 0.000 0.944 469 T HN 0.478 nan 8.240 nan 0.000 0.442 470 P HA 0.313 nan 4.420 nan 0.000 0.272 470 P C -0.313 176.978 177.300 -0.015 0.000 1.223 470 P CA -0.480 62.608 63.100 -0.020 0.000 0.784 470 P CB 0.527 32.217 31.700 -0.016 0.000 0.923 471 A N 2.723 125.539 122.820 -0.006 0.000 2.507 471 A HA 0.423 4.744 4.320 0.001 0.000 0.235 471 A C 0.767 178.357 177.584 0.011 0.000 1.070 471 A CA 0.399 52.438 52.037 0.003 0.000 0.768 471 A CB -0.627 18.377 19.000 0.008 0.000 1.011 471 A HN 0.688 nan 8.150 nan 0.000 0.502 472 T N -0.934 113.633 114.554 0.021 0.000 2.930 472 T HA 0.665 5.015 4.350 0.001 0.000 0.290 472 T C -2.000 172.727 174.700 0.045 0.000 1.052 472 T CA -1.389 60.730 62.100 0.033 0.000 1.017 472 T CB 1.718 70.610 68.868 0.040 0.000 1.137 472 T HN 0.405 nan 8.240 nan 0.000 0.511 473 P HA -0.087 nan 4.420 nan 0.000 0.221 473 P C 0.750 178.092 177.300 0.071 0.000 1.145 473 P CA 1.151 64.285 63.100 0.057 0.000 0.795 473 P CB 0.089 31.823 31.700 0.057 0.000 0.775 474 D N -1.237 119.214 120.400 0.085 0.000 2.346 474 D HA -0.034 4.606 4.640 0.001 0.000 0.206 474 D C 0.461 176.817 176.300 0.092 0.000 1.001 474 D CA 0.412 54.475 54.000 0.105 0.000 0.871 474 D CB -0.002 40.882 40.800 0.140 0.000 0.943 474 D HN 0.262 nan 8.370 nan 0.000 0.518 475 Q N -0.172 119.670 119.800 0.070 0.000 2.269 475 Q HA 0.591 4.931 4.340 0.001 0.000 0.263 475 Q C -0.482 175.540 176.000 0.036 0.000 0.983 475 Q CA -0.506 55.330 55.803 0.055 0.000 0.777 475 Q CB 2.394 31.162 28.738 0.051 0.000 1.273 475 Q HN 0.069 nan 8.270 nan 0.000 0.440 476 A N 2.199 125.038 122.820 0.032 0.000 2.178 476 A HA 0.004 4.324 4.320 0.001 0.000 0.211 476 A C 0.510 178.101 177.584 0.011 0.000 1.157 476 A CA 0.692 52.741 52.037 0.021 0.000 0.780 476 A CB 0.354 19.366 19.000 0.021 0.000 0.828 476 A HN 0.609 nan 8.150 nan 0.000 0.476 477 E N 0.911 121.118 120.200 0.011 0.000 2.187 477 E HA 0.418 4.769 4.350 0.001 0.000 0.268 477 E C -1.258 175.338 176.600 -0.006 0.000 0.896 477 E CA -0.636 55.765 56.400 0.001 0.000 0.766 477 E CB 0.768 30.469 29.700 0.001 0.000 1.142 477 E HN 0.010 nan 8.360 nan 0.000 0.408 478 K N 2.980 123.370 120.400 -0.017 0.000 2.426 478 K HA 0.427 4.747 4.320 0.001 0.000 0.251 478 K C -0.700 175.877 176.600 -0.039 0.000 0.941 478 K CA -0.731 55.536 56.287 -0.033 0.000 0.808 478 K CB 2.287 34.764 32.500 -0.038 0.000 1.265 478 K HN 0.588 nan 8.250 nan 0.000 0.432 479 Q N 1.259 121.027 119.800 -0.053 0.000 2.484 479 Q HA 0.462 4.803 4.340 0.001 0.000 0.285 479 Q C -2.415 173.549 176.000 -0.058 0.000 1.097 479 Q CA -2.086 53.690 55.803 -0.046 0.000 0.802 479 Q CB 2.568 31.285 28.738 -0.034 0.000 1.444 479 Q HN 0.315 nan 8.270 nan 0.000 0.429 480 P HA 0.078 nan 4.420 nan 0.000 0.269 480 P C -0.925 176.399 177.300 0.039 0.000 1.209 480 P CA 0.265 63.362 63.100 -0.005 0.000 0.776 480 P CB 0.774 32.498 31.700 0.040 0.000 0.876 481 L N 1.207 122.327 121.223 -0.170 0.000 2.331 481 L HA 0.394 4.735 4.340 0.001 0.000 0.268 481 L C 1.015 177.631 176.870 -0.423 0.000 1.015 481 L CA -1.026 53.524 54.840 -0.482 0.000 0.807 481 L CB 0.931 42.347 42.059 -1.072 0.000 1.293 481 L HN 0.498 nan 8.230 nan 0.000 0.451 482 H N 1.747 120.399 119.070 -0.696 0.000 2.820 482 H HA 0.400 4.957 4.556 0.001 0.000 0.278 482 H C -0.855 174.637 175.328 0.273 0.000 1.142 482 H CA -0.588 55.316 56.048 -0.241 0.000 1.346 482 H CB 0.381 30.080 29.762 -0.105 0.000 1.438 482 H HN 0.340 nan 8.280 nan 0.000 0.473 483 I N 8.204 129.062 120.570 0.479 0.000 2.307 483 I HA 0.206 4.377 4.170 0.001 0.000 0.289 483 I C -2.327 174.033 176.117 0.405 0.000 1.021 483 I CA -2.290 59.295 61.300 0.476 0.000 1.224 483 I CB 1.535 39.754 38.000 0.365 0.000 1.376 483 I HN 0.517 nan 8.210 nan 0.000 0.470 484 P HA 0.093 nan 4.420 nan 0.000 0.280 484 P C -0.821 176.598 177.300 0.199 0.000 1.300 484 P CA 0.038 63.250 63.100 0.187 0.000 0.785 484 P CB 0.090 31.820 31.700 0.050 0.000 0.874 485 F N 4.147 124.121 119.950 0.040 0.000 2.311 485 F HA 0.576 5.104 4.527 0.001 0.000 0.371 485 F C 0.046 175.835 175.800 -0.019 0.000 1.083 485 F CA -0.868 57.136 58.000 0.007 0.000 1.113 485 F CB 0.418 39.408 39.000 -0.018 0.000 1.349 485 F HN 0.249 nan 8.300 nan 0.000 0.470 486 A N 7.320 129.984 122.820 -0.260 0.000 2.401 486 A HA 0.653 4.974 4.320 0.001 0.000 0.259 486 A C -0.287 177.147 177.584 -0.249 0.000 1.103 486 A CA -0.286 51.643 52.037 -0.180 0.000 0.789 486 A CB 0.037 18.964 19.000 -0.122 0.000 1.035 486 A HN 0.858 nan 8.150 nan 0.000 0.491 487 I N -1.538 118.960 120.570 -0.119 0.000 3.174 487 I HA 0.936 5.107 4.170 0.001 0.000 0.313 487 I C -0.790 175.262 176.117 -0.109 0.000 1.155 487 I CA -0.922 60.322 61.300 -0.095 0.000 0.977 487 I CB 2.385 40.365 38.000 -0.033 0.000 1.248 487 I HN 0.655 nan 8.210 nan 0.000 0.453 488 E N 2.321 122.443 120.200 -0.129 0.000 2.354 488 E HA 0.568 4.918 4.350 0.001 0.000 0.283 488 E C -2.134 174.244 176.600 -0.369 0.000 0.938 488 E CA -0.637 55.603 56.400 -0.267 0.000 0.777 488 E CB 2.357 31.906 29.700 -0.251 0.000 1.222 488 E HN 0.706 nan 8.360 nan 0.000 0.423 489 L N 4.011 124.939 121.223 -0.491 0.000 2.329 489 L HA 0.568 4.908 4.340 0.001 0.000 0.279 489 L C -1.084 175.469 176.870 -0.528 0.000 1.014 489 L CA -0.929 53.651 54.840 -0.434 0.000 0.814 489 L CB 0.971 42.785 42.059 -0.408 0.000 1.257 489 L HN 0.563 nan 8.230 nan 0.000 0.424 490 Y N 0.047 120.320 120.300 -0.045 0.000 2.446 490 Y HA 0.302 4.852 4.550 0.001 0.000 0.345 490 Y C 0.085 175.979 175.900 -0.011 0.000 0.984 490 Y CA -1.250 56.878 58.100 0.045 0.000 1.058 490 Y CB 1.544 40.160 38.460 0.261 0.000 1.220 490 Y HN 0.626 nan 8.280 nan 0.000 0.455 491 D N -0.563 119.939 120.400 0.171 0.000 2.433 491 D HA 0.060 4.700 4.640 0.001 0.000 0.255 491 D C 0.630 176.987 176.300 0.095 0.000 1.226 491 D CA -0.590 53.459 54.000 0.082 0.000 1.015 491 D CB 0.411 41.276 40.800 0.108 0.000 1.091 491 D HN 0.576 nan 8.370 nan 0.000 0.527 492 N N -0.888 117.805 118.700 -0.012 0.000 2.519 492 N HA -0.162 4.579 4.740 0.001 0.000 0.186 492 N C 0.575 176.131 175.510 0.076 0.000 1.062 492 N CA 0.863 53.912 53.050 -0.002 0.000 0.910 492 N CB -0.158 38.273 38.487 -0.094 0.000 0.958 492 N HN 0.432 nan 8.380 nan 0.000 0.445 493 E N -1.109 119.097 120.200 0.011 0.000 2.472 493 E HA 0.259 4.609 4.350 0.001 0.000 0.196 493 E C 1.061 177.506 176.600 -0.258 0.000 1.033 493 E CA 0.485 56.830 56.400 -0.091 0.000 0.886 493 E CB 0.175 29.847 29.700 -0.048 0.000 0.944 493 E HN 0.441 nan 8.360 nan 0.000 0.492 494 G N 1.110 109.832 108.800 -0.129 0.000 2.141 494 G HA2 -0.301 3.659 3.960 0.001 0.000 0.231 494 G HA3 -0.301 3.659 3.960 0.001 0.000 0.231 494 G C -0.061 174.903 174.900 0.107 0.000 0.984 494 G CA -0.020 44.938 45.100 -0.237 0.000 0.660 494 G HN 0.191 nan 8.290 nan 0.000 0.525 495 K N 0.410 120.893 120.400 0.139 0.000 2.174 495 K HA 0.564 4.885 4.320 0.001 0.000 0.275 495 K C 0.625 177.321 176.600 0.161 0.000 1.015 495 K CA -0.782 55.591 56.287 0.143 0.000 0.933 495 K CB 2.252 34.801 32.500 0.081 0.000 1.025 495 K HN 0.028 nan 8.250 nan 0.000 0.463 496 V N 4.217 124.179 119.914 0.080 0.000 2.655 496 V HA 0.051 4.171 4.120 0.001 0.000 0.300 496 V C 0.445 176.486 176.094 -0.088 0.000 1.044 496 V CA -0.048 62.187 62.300 -0.108 0.000 1.095 496 V CB 0.223 31.975 31.823 -0.118 0.000 0.952 496 V HN 0.579 nan 8.190 nan 0.000 0.485 497 I N 6.853 127.326 120.570 -0.161 0.000 2.304 497 I HA 0.295 4.466 4.170 0.001 0.000 0.291 497 I C -2.115 173.920 176.117 -0.136 0.000 1.018 497 I CA -1.839 59.386 61.300 -0.124 0.000 1.260 497 I CB 1.434 39.337 38.000 -0.161 0.000 1.390 497 I HN 0.454 nan 8.210 nan 0.000 0.475 498 P HA 0.063 nan 4.420 nan 0.000 0.261 498 P C -0.737 176.527 177.300 -0.060 0.000 1.183 498 P CA 0.105 63.171 63.100 -0.057 0.000 0.761 498 P CB 0.322 32.013 31.700 -0.016 0.000 0.785 499 L N 4.802 125.998 121.223 -0.045 0.000 2.281 499 L HA 0.356 4.696 4.340 0.001 0.000 0.285 499 L C 0.892 177.847 176.870 0.142 0.000 1.074 499 L CA 0.119 54.968 54.840 0.016 0.000 0.817 499 L CB 0.115 42.155 42.059 -0.033 0.000 1.168 499 L HN 0.514 nan 8.230 nan 0.000 0.434 500 Q N 2.933 122.868 119.800 0.224 0.000 2.630 500 Q HA 0.754 5.094 4.340 0.001 0.000 0.295 500 Q C -1.545 174.565 176.000 0.183 0.000 0.944 500 Q CA -1.312 54.599 55.803 0.179 0.000 0.766 500 Q CB 2.542 31.333 28.738 0.089 0.000 1.471 500 Q HN 0.242 nan 8.270 nan 0.000 0.416 501 K N -0.645 119.825 120.400 0.116 0.000 2.570 501 K HA 0.478 4.799 4.320 0.001 0.000 0.256 501 K C -0.137 176.488 176.600 0.042 0.000 0.939 501 K CA 0.553 56.878 56.287 0.064 0.000 0.833 501 K CB 1.557 34.073 32.500 0.026 0.000 1.318 501 K HN 1.100 nan 8.250 nan 0.000 0.433 502 G N 2.169 110.968 108.800 -0.002 0.000 2.258 502 G HA2 -0.086 3.874 3.960 0.001 0.000 0.274 502 G HA3 -0.086 3.874 3.960 0.001 0.000 0.274 502 G C 0.948 175.721 174.900 -0.213 0.000 1.021 502 G CA 1.188 46.263 45.100 -0.043 0.000 0.798 502 G HN 1.922 nan 8.290 nan 0.000 0.507 503 G N -1.828 106.859 108.800 -0.187 0.000 2.159 503 G HA2 -0.223 3.738 3.960 0.001 0.000 0.256 503 G HA3 -0.223 3.738 3.960 0.001 0.000 0.256 503 G C 0.066 174.734 174.900 -0.387 0.000 0.977 503 G CA 0.793 45.721 45.100 -0.288 0.000 0.652 503 G HN 1.423 nan 8.290 nan 0.000 0.531 504 H N 0.074 119.167 119.070 0.037 0.000 2.538 504 H HA 0.449 5.005 4.556 0.001 0.000 0.353 504 H C -2.542 172.818 175.328 0.054 0.000 1.109 504 H CA -2.015 54.057 56.048 0.039 0.000 1.192 504 H CB 1.899 31.681 29.762 0.033 0.000 1.555 504 H HN 0.057 nan 8.280 nan 0.000 0.518 505 P HA 0.037 nan 4.420 nan 0.000 0.269 505 P C -0.421 176.966 177.300 0.144 0.000 1.209 505 P CA -0.191 62.987 63.100 0.130 0.000 0.776 505 P CB 0.847 32.605 31.700 0.096 0.000 0.876 506 V N 2.851 122.861 119.914 0.160 0.000 2.604 506 V HA 0.270 4.390 4.120 0.001 0.000 0.305 506 V C 0.357 176.545 176.094 0.157 0.000 1.043 506 V CA -0.880 61.532 62.300 0.188 0.000 0.888 506 V CB 1.686 33.691 31.823 0.304 0.000 0.995 506 V HN 0.563 nan 8.190 nan 0.000 0.429 507 N N 2.229 121.007 118.700 0.131 0.000 2.458 507 N HA -0.028 4.712 4.740 0.001 0.000 0.258 507 N C 1.431 177.000 175.510 0.098 0.000 1.219 507 N CA 0.736 53.842 53.050 0.093 0.000 0.902 507 N CB 1.561 40.095 38.487 0.080 0.000 1.076 507 N HN 0.849 nan 8.380 nan 0.000 0.455 508 S N 1.677 117.406 115.700 0.047 0.000 2.474 508 S HA -0.050 4.421 4.470 0.001 0.000 0.235 508 S C 0.841 175.454 174.600 0.021 0.000 0.997 508 S CA 0.201 58.409 58.200 0.013 0.000 0.949 508 S CB 0.000 63.183 63.200 -0.028 0.000 0.766 508 S HN 0.290 nan 8.310 nan 0.000 0.517 509 V N 3.631 123.568 119.914 0.037 0.000 2.339 509 V HA 0.327 4.448 4.120 0.001 0.000 0.261 509 V C 0.042 176.183 176.094 0.079 0.000 1.058 509 V CA -0.491 61.835 62.300 0.044 0.000 0.897 509 V CB 0.319 32.163 31.823 0.035 0.000 1.052 509 V HN 0.432 nan 8.190 nan 0.000 0.480 510 L N 4.652 125.912 121.223 0.061 0.000 2.397 510 L HA 0.394 4.734 4.340 0.001 0.000 0.271 510 L C 0.579 177.511 176.870 0.103 0.000 1.148 510 L CA -0.266 54.553 54.840 -0.035 0.000 0.825 510 L CB 0.430 42.216 42.059 -0.455 0.000 1.117 510 L HN 0.523 nan 8.230 nan 0.000 0.456 511 N N 2.517 121.342 118.700 0.208 0.000 2.602 511 N HA 0.134 4.875 4.740 0.001 0.000 0.238 511 N C -0.683 175.038 175.510 0.352 0.000 1.084 511 N CA -0.141 53.096 53.050 0.312 0.000 0.952 511 N CB 1.478 40.118 38.487 0.255 0.000 1.244 511 N HN 0.247 nan 8.380 nan 0.000 0.512 512 V N 2.528 122.633 119.914 0.319 0.000 2.338 512 V HA 0.076 4.196 4.120 0.001 0.000 0.255 512 V C 1.518 177.745 176.094 0.221 0.000 1.082 512 V CA 0.093 62.563 62.300 0.283 0.000 0.951 512 V CB 0.048 31.962 31.823 0.152 0.000 1.102 512 V HN 0.647 nan 8.190 nan 0.000 0.489 513 T N 0.673 115.334 114.554 0.177 0.000 2.985 513 T HA 0.276 4.627 4.350 0.001 0.000 0.254 513 T C 0.522 175.330 174.700 0.181 0.000 1.021 513 T CA -0.107 62.097 62.100 0.174 0.000 0.957 513 T CB 0.318 69.261 68.868 0.124 0.000 1.047 513 T HN 0.539 nan 8.240 nan 0.000 0.511 514 Q N -0.120 119.735 119.800 0.090 0.000 2.240 514 Q HA 0.785 5.125 4.340 0.001 0.000 0.260 514 Q C 1.288 177.299 176.000 0.018 0.000 1.018 514 Q CA -0.526 55.297 55.803 0.033 0.000 0.898 514 Q CB 1.577 30.305 28.738 -0.016 0.000 1.301 514 Q HN 0.158 nan 8.270 nan 0.000 0.469 515 A N 0.565 123.381 122.820 -0.007 0.000 1.933 515 A HA -0.133 4.187 4.320 0.001 0.000 0.218 515 A C 0.532 178.104 177.584 -0.019 0.000 1.175 515 A CA 1.532 53.560 52.037 -0.015 0.000 0.628 515 A CB 0.049 19.034 19.000 -0.024 0.000 0.814 515 A HN 0.692 nan 8.150 nan 0.000 0.444 516 E N -0.757 119.425 120.200 -0.030 0.000 2.352 516 E HA 0.423 4.774 4.350 0.001 0.000 0.280 516 E C -1.629 174.928 176.600 -0.072 0.000 0.930 516 E CA -0.754 55.621 56.400 -0.041 0.000 0.765 516 E CB 0.982 30.655 29.700 -0.045 0.000 1.219 516 E HN 0.442 nan 8.360 nan 0.000 0.434 517 Q N 1.147 120.891 119.800 -0.094 0.000 2.578 517 Q HA 0.400 4.740 4.340 0.001 0.000 0.284 517 Q C -1.435 174.405 176.000 -0.268 0.000 0.960 517 Q CA -0.933 54.740 55.803 -0.216 0.000 0.809 517 Q CB 1.667 30.226 28.738 -0.298 0.000 1.462 517 Q HN 0.545 nan 8.270 nan 0.000 0.392 518 T N -1.370 112.939 114.554 -0.409 0.000 2.885 518 T HA 0.803 5.153 4.350 0.001 0.000 0.285 518 T C -0.878 173.459 174.700 -0.604 0.000 1.019 518 T CA -0.499 61.406 62.100 -0.326 0.000 1.010 518 T CB 0.776 69.522 68.868 -0.203 0.000 1.022 518 T HN 0.387 nan 8.240 nan 0.000 0.466 519 F N 1.245 121.109 119.950 -0.144 0.000 2.499 519 F HA 0.572 5.099 4.527 0.001 0.000 0.333 519 F C -0.392 175.138 175.800 -0.450 0.000 1.138 519 F CA -1.028 56.807 58.000 -0.274 0.000 0.945 519 F CB 2.153 41.071 39.000 -0.138 0.000 1.181 519 F HN 0.417 nan 8.300 nan 0.000 0.435 520 V N 4.131 123.791 119.914 -0.422 0.000 2.483 520 V HA 0.472 4.593 4.120 0.001 0.000 0.295 520 V C -0.726 175.018 176.094 -0.582 0.000 1.035 520 V CA -0.881 61.204 62.300 -0.358 0.000 0.896 520 V CB 1.526 33.241 31.823 -0.178 0.000 0.986 520 V HN 0.455 nan 8.190 nan 0.000 0.447 521 F N 2.830 122.853 119.950 0.121 0.000 2.518 521 F HA 0.567 5.094 4.527 0.001 0.000 0.323 521 F C 0.096 175.946 175.800 0.083 0.000 1.129 521 F CA -0.998 57.072 58.000 0.117 0.000 0.920 521 F CB 1.630 40.730 39.000 0.168 0.000 1.160 521 F HN 0.669 nan 8.300 nan 0.000 0.440 522 D N -0.106 120.398 120.400 0.174 0.000 2.569 522 D HA 0.323 4.963 4.640 0.001 0.000 0.266 522 D C -0.051 176.249 176.300 -0.001 0.000 1.164 522 D CA -0.725 53.323 54.000 0.079 0.000 1.071 522 D CB 0.401 41.221 40.800 0.034 0.000 1.183 522 D HN 0.426 nan 8.370 nan 0.000 0.613 523 N N -1.786 116.861 118.700 -0.088 0.000 2.747 523 N HA -0.121 4.619 4.740 0.001 0.000 0.249 523 N C -0.977 174.112 175.510 -0.702 0.000 1.107 523 N CA 0.497 53.330 53.050 -0.362 0.000 0.707 523 N CB -1.131 37.219 38.487 -0.227 0.000 1.054 523 N HN 0.317 nan 8.380 nan 0.000 0.555 524 V N 2.307 122.027 119.914 -0.324 0.000 2.247 524 V HA 0.137 4.258 4.120 0.001 0.000 0.262 524 V C 1.003 177.035 176.094 -0.104 0.000 1.096 524 V CA -0.513 61.671 62.300 -0.194 0.000 0.895 524 V CB -0.171 31.732 31.823 0.134 0.000 1.141 524 V HN 0.156 nan 8.190 nan 0.000 0.478 525 Y N 2.611 122.862 120.300 -0.081 0.000 2.315 525 Y HA 0.039 4.589 4.550 0.001 0.000 0.288 525 Y C 0.634 176.130 175.900 -0.673 0.000 1.154 525 Y CA 0.650 58.514 58.100 -0.392 0.000 1.229 525 Y CB -0.449 37.670 38.460 -0.568 0.000 0.980 525 Y HN 0.421 nan 8.280 nan 0.000 0.540 526 F N -1.278 118.748 119.950 0.127 0.000 2.599 526 F HA 0.326 4.854 4.527 0.001 0.000 0.311 526 F C 0.027 175.499 175.800 -0.546 0.000 1.076 526 F CA -2.202 55.758 58.000 -0.067 0.000 0.937 526 F CB 1.082 40.066 39.000 -0.026 0.000 1.282 526 F HN -0.400 nan 8.300 nan 0.000 0.460 527 Q N 4.657 124.087 119.800 -0.616 0.000 2.262 527 Q HA 0.117 4.457 4.340 0.001 0.000 0.298 527 Q C -2.396 173.304 176.000 -0.500 0.000 1.083 527 Q CA -1.110 54.115 55.803 -0.962 0.000 0.962 527 Q CB 0.583 29.050 28.738 -0.451 0.000 1.104 527 Q HN 0.224 nan 8.270 nan 0.000 0.376 528 P HA 0.216 nan 4.420 nan 0.000 0.283 528 P C -1.245 175.863 177.300 -0.319 0.000 1.271 528 P CA -0.538 62.314 63.100 -0.412 0.000 0.841 528 P CB 1.333 32.693 31.700 -0.568 0.000 1.122 529 V N 3.322 123.119 119.914 -0.196 0.000 2.384 529 V HA 0.346 4.466 4.120 0.001 0.000 0.287 529 V C -1.967 174.195 176.094 0.114 0.000 1.020 529 V CA -1.795 60.465 62.300 -0.067 0.000 0.850 529 V CB 1.438 33.110 31.823 -0.252 0.000 0.987 529 V HN 0.604 nan 8.190 nan 0.000 0.436 530 P HA 0.536 nan 4.420 nan 0.000 0.287 530 P C -1.133 176.380 177.300 0.355 0.000 1.270 530 P CA -0.666 62.519 63.100 0.141 0.000 0.844 530 P CB 2.126 33.847 31.700 0.036 0.000 1.068 531 A N 3.833 126.833 122.820 0.299 0.000 2.273 531 A HA 0.639 4.959 4.320 0.001 0.000 0.315 531 A C -0.372 177.334 177.584 0.203 0.000 1.256 531 A CA -0.732 51.506 52.037 0.334 0.000 0.851 531 A CB 0.153 19.374 19.000 0.368 0.000 1.172 531 A HN 0.475 nan 8.150 nan 0.000 0.508 532 L N 2.120 123.495 121.223 0.255 0.000 2.334 532 L HA 0.545 4.886 4.340 0.001 0.000 0.273 532 L C 0.154 176.977 176.870 -0.078 0.000 1.013 532 L CA -1.097 53.778 54.840 0.060 0.000 0.816 532 L CB 1.601 43.772 42.059 0.186 0.000 1.278 532 L HN 0.724 nan 8.230 nan 0.000 0.431 533 L N 2.185 123.034 121.223 -0.624 0.000 3.660 533 L HA -0.218 4.123 4.340 0.001 0.000 0.440 533 L C -0.204 176.615 176.870 -0.084 0.000 1.262 533 L CA 0.213 54.757 54.840 -0.494 0.000 0.837 533 L CB -1.180 40.798 42.059 -0.135 0.000 1.689 533 L HN 0.730 nan 8.230 nan 0.000 0.890 534 C N 1.792 121.039 119.300 -0.088 0.000 2.563 534 C HA 0.173 4.633 4.460 0.001 0.000 0.411 534 C C 1.796 176.801 174.990 0.026 0.000 1.386 534 C CA 0.450 59.507 59.018 0.065 0.000 1.703 534 C CB -0.205 27.555 27.740 0.033 0.000 2.596 534 C HN 0.858 nan 8.230 nan 0.000 0.605 535 E N 0.436 120.665 120.200 0.048 0.000 2.722 535 E HA -0.279 4.071 4.350 0.001 0.000 0.265 535 E C 0.229 176.599 176.600 -0.384 0.000 1.081 535 E CA 0.848 56.995 56.400 -0.421 0.000 0.781 535 E CB -1.809 27.760 29.700 -0.217 0.000 1.372 535 E HN 0.795 nan 8.360 nan 0.000 0.423 536 F N -0.903 118.881 119.950 -0.277 0.000 2.891 536 F HA -0.318 4.209 4.527 0.001 0.000 0.272 536 F C 1.345 177.086 175.800 -0.099 0.000 1.004 536 F CA 0.900 58.846 58.000 -0.091 0.000 0.938 536 F CB -1.455 37.470 39.000 -0.125 0.000 0.939 536 F HN 0.238 nan 8.300 nan 0.000 0.833 537 S N 0.303 115.906 115.700 -0.161 0.000 2.469 537 S HA 0.391 4.862 4.470 0.001 0.000 0.238 537 S C 0.879 175.349 174.600 -0.218 0.000 0.998 537 S CA 0.612 58.710 58.200 -0.170 0.000 0.957 537 S CB 0.000 63.118 63.200 -0.138 0.000 0.764 537 S HN 1.667 nan 8.310 nan 0.000 0.514 538 A N 1.356 123.959 122.820 -0.362 0.000 2.574 538 A HA 0.664 4.985 4.320 0.001 0.000 0.297 538 A C -3.137 174.063 177.584 -0.639 0.000 1.062 538 A CA -1.779 50.054 52.037 -0.340 0.000 0.686 538 A CB 1.173 20.167 19.000 -0.010 0.000 1.285 538 A HN 0.122 nan 8.150 nan 0.000 0.403 539 P HA 0.320 nan 4.420 nan 0.000 0.244 539 P C -0.290 177.103 177.300 0.156 0.000 1.769 539 P CA 0.283 63.261 63.100 -0.202 0.000 1.102 539 P CB -0.281 31.447 31.700 0.047 0.000 1.937 540 V N -0.432 119.560 119.914 0.130 0.000 3.160 540 V HA 0.599 4.720 4.120 0.001 0.000 0.310 540 V C -0.530 175.783 176.094 0.366 0.000 1.181 540 V CA -1.506 60.915 62.300 0.202 0.000 1.047 540 V CB 2.601 34.544 31.823 0.200 0.000 1.068 540 V HN -0.025 nan 8.190 nan 0.000 0.441 541 K N 1.846 122.372 120.400 0.211 0.000 2.211 541 K HA 0.639 4.960 4.320 0.001 0.000 0.275 541 K C -1.097 175.670 176.600 0.279 0.000 1.024 541 K CA -0.542 55.924 56.287 0.298 0.000 0.887 541 K CB 1.706 34.293 32.500 0.144 0.000 1.084 541 K HN 0.638 nan 8.250 nan 0.000 0.463 542 L N 2.859 124.289 121.223 0.345 0.000 2.289 542 L HA 0.241 4.581 4.340 0.001 0.000 0.285 542 L C -0.715 176.332 176.870 0.295 0.000 1.049 542 L CA 0.155 55.203 54.840 0.347 0.000 0.804 542 L CB 0.962 43.284 42.059 0.439 0.000 1.195 542 L HN 0.476 nan 8.230 nan 0.000 0.428 543 E N 5.494 125.835 120.200 0.235 0.000 2.149 543 E HA 0.242 4.592 4.350 0.001 0.000 0.255 543 E C -1.860 174.841 176.600 0.168 0.000 0.888 543 E CA -0.152 56.352 56.400 0.175 0.000 0.742 543 E CB 1.440 31.201 29.700 0.101 0.000 1.164 543 E HN 0.553 nan 8.360 nan 0.000 0.422 544 Y N 1.067 121.350 120.300 -0.027 0.000 2.470 544 Y HA 0.269 4.819 4.550 0.001 0.000 0.341 544 Y C -0.497 175.232 175.900 -0.286 0.000 1.021 544 Y CA -0.877 57.072 58.100 -0.252 0.000 1.025 544 Y CB 1.380 39.512 38.460 -0.548 0.000 1.266 544 Y HN 0.113 nan 8.280 nan 0.000 0.448 545 K N 6.239 126.134 120.400 -0.841 0.000 2.278 545 K HA 0.066 4.387 4.320 0.001 0.000 0.237 545 K C -1.226 175.081 176.600 -0.489 0.000 1.229 545 K CA -0.074 55.908 56.287 -0.509 0.000 1.155 545 K CB -0.088 32.189 32.500 -0.372 0.000 1.590 545 K HN 0.499 nan 8.250 nan 0.000 0.290 546 W N 1.444 122.701 121.300 -0.072 0.000 2.158 546 W HA -0.043 4.617 4.660 0.001 0.000 0.339 546 W C 1.163 177.717 176.519 0.057 0.000 1.294 546 W CA -0.304 57.119 57.345 0.130 0.000 1.231 546 W CB 0.420 30.011 29.460 0.219 0.000 1.143 546 W HN 0.314 nan 8.180 nan 0.000 0.571 547 S N 0.639 116.560 115.700 0.368 0.000 2.608 547 S HA 0.208 4.679 4.470 0.001 0.000 0.291 547 S C 0.472 175.217 174.600 0.241 0.000 1.146 547 S CA -0.775 57.557 58.200 0.220 0.000 1.043 547 S CB 1.719 65.010 63.200 0.152 0.000 1.037 547 S HN 0.501 nan 8.310 nan 0.000 0.520 548 D N 1.220 121.741 120.400 0.201 0.000 2.149 548 D HA -0.088 4.552 4.640 0.001 0.000 0.198 548 D C 1.825 178.215 176.300 0.149 0.000 0.990 548 D CA 1.513 55.642 54.000 0.214 0.000 0.839 548 D CB -0.247 40.754 40.800 0.335 0.000 0.948 548 D HN 0.595 nan 8.370 nan 0.000 0.460 549 Q N 0.306 120.170 119.800 0.106 0.000 2.119 549 Q HA -0.065 4.275 4.340 0.001 0.000 0.201 549 Q C 2.128 178.213 176.000 0.143 0.000 0.972 549 Q CA 0.940 56.795 55.803 0.087 0.000 0.847 549 Q CB -0.267 28.494 28.738 0.038 0.000 0.903 549 Q HN 0.442 nan 8.270 nan 0.000 0.433 550 Q N -0.242 119.667 119.800 0.181 0.000 2.084 550 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 550 Q C 2.024 178.148 176.000 0.207 0.000 0.978 550 Q CA 1.036 56.984 55.803 0.242 0.000 0.844 550 Q CB -0.128 28.880 28.738 0.449 0.000 0.898 550 Q HN 0.367 nan 8.270 nan 0.000 0.426 551 L N 0.208 121.486 121.223 0.091 0.000 2.056 551 L HA -0.165 4.176 4.340 0.001 0.000 0.207 551 L C 2.728 179.547 176.870 -0.085 0.000 1.078 551 L CA 1.618 56.390 54.840 -0.113 0.000 0.749 551 L CB -0.920 41.036 42.059 -0.172 0.000 0.901 551 L HN 0.400 nan 8.230 nan 0.000 0.433 552 T N -2.797 111.747 114.554 -0.016 0.000 2.915 552 T HA -0.217 4.134 4.350 0.001 0.000 0.269 552 T C 1.694 176.361 174.700 -0.055 0.000 1.071 552 T CA 0.788 62.846 62.100 -0.069 0.000 1.132 552 T CB -0.627 68.225 68.868 -0.027 0.000 0.878 552 T HN 0.251 nan 8.240 nan 0.000 0.479 553 F N 2.016 121.914 119.950 -0.086 0.000 2.102 553 F HA 0.138 4.665 4.527 0.001 0.000 0.298 553 F C 1.954 177.683 175.800 -0.118 0.000 1.105 553 F CA 1.046 59.020 58.000 -0.044 0.000 1.239 553 F CB -0.357 38.668 39.000 0.042 0.000 0.991 553 F HN 0.052 nan 8.300 nan 0.000 0.474 554 L N -0.293 120.948 121.223 0.030 0.000 2.083 554 L HA -0.247 4.094 4.340 0.001 0.000 0.209 554 L C 2.507 179.208 176.870 -0.282 0.000 1.083 554 L CA 1.364 56.112 54.840 -0.153 0.000 0.752 554 L CB -0.622 41.382 42.059 -0.091 0.000 0.899 554 L HN 0.250 nan 8.230 nan 0.000 0.433 555 M N -0.357 119.080 119.600 -0.271 0.000 2.279 555 M HA -0.186 4.294 4.480 0.001 0.000 0.264 555 M C 2.222 178.317 176.300 -0.341 0.000 1.062 555 M CA 1.640 56.764 55.300 -0.293 0.000 1.099 555 M CB -0.210 32.205 32.600 -0.309 0.000 1.394 555 M HN 0.313 nan 8.290 nan 0.000 0.426 556 R N -1.826 118.389 120.500 -0.475 0.000 2.282 556 R HA 0.069 4.409 4.340 0.001 0.000 0.195 556 R C 1.102 176.913 176.300 -0.814 0.000 0.909 556 R CA 0.572 56.294 56.100 -0.630 0.000 1.039 556 R CB 0.044 29.898 30.300 -0.744 0.000 1.015 556 R HN 0.373 nan 8.270 nan 0.000 0.513 557 H N 0.359 119.092 119.070 -0.562 0.000 3.255 557 H HA 0.364 4.920 4.556 0.001 0.000 0.256 557 H C 0.318 175.289 175.328 -0.596 0.000 1.049 557 H CA 0.082 55.753 56.048 -0.628 0.000 1.202 557 H CB 0.595 29.747 29.762 -1.017 0.000 1.497 557 H HN 0.241 nan 8.280 nan 0.000 0.503 558 A N 2.003 124.547 122.820 -0.461 0.000 2.584 558 A HA -0.051 4.269 4.320 0.001 0.000 0.239 558 A C 1.792 179.315 177.584 -0.102 0.000 1.043 558 A CA 0.209 52.032 52.037 -0.356 0.000 0.756 558 A CB 0.193 19.096 19.000 -0.162 0.000 0.963 558 A HN 0.433 nan 8.150 nan 0.000 0.511 559 R N 1.966 122.523 120.500 0.095 0.000 2.075 559 R HA -0.106 4.235 4.340 0.001 0.000 0.232 559 R C 0.671 177.025 176.300 0.090 0.000 1.126 559 R CA 1.224 57.400 56.100 0.127 0.000 0.963 559 R CB -0.028 30.400 30.300 0.214 0.000 0.858 559 R HN 0.869 nan 8.270 nan 0.000 0.435 560 N N 0.826 119.598 118.700 0.120 0.000 2.455 560 N HA -0.034 4.706 4.740 0.001 0.000 0.280 560 N C -0.467 175.108 175.510 0.108 0.000 1.055 560 N CA -0.033 53.087 53.050 0.116 0.000 0.961 560 N CB 1.527 40.107 38.487 0.155 0.000 1.121 560 N HN 0.040 nan 8.380 nan 0.000 0.476 561 D N 2.131 122.584 120.400 0.087 0.000 2.182 561 D HA -0.171 4.469 4.640 0.001 0.000 0.201 561 D C 1.324 177.691 176.300 0.112 0.000 0.986 561 D CA 1.020 55.060 54.000 0.067 0.000 0.847 561 D CB -0.172 40.654 40.800 0.043 0.000 0.942 561 D HN 0.608 nan 8.370 nan 0.000 0.467 562 F N 1.250 121.231 119.950 0.053 0.000 2.134 562 F HA -0.197 4.330 4.527 0.001 0.000 0.299 562 F C 2.294 178.199 175.800 0.174 0.000 1.097 562 F CA 1.151 59.216 58.000 0.109 0.000 1.264 562 F CB -0.130 38.916 39.000 0.076 0.000 1.001 562 F HN -0.170 nan 8.300 nan 0.000 0.479 563 S N 0.527 116.321 115.700 0.157 0.000 2.382 563 S HA -0.188 4.282 4.470 0.001 0.000 0.228 563 S C 1.921 176.457 174.600 -0.107 0.000 1.027 563 S CA 1.409 59.637 58.200 0.047 0.000 0.991 563 S CB -0.332 62.944 63.200 0.127 0.000 0.823 563 S HN 0.429 nan 8.310 nan 0.000 0.469 564 R N -0.442 120.008 120.500 -0.083 0.000 2.075 564 R HA -0.103 4.238 4.340 0.001 0.000 0.232 564 R C 2.130 178.340 176.300 -0.150 0.000 1.126 564 R CA 1.517 57.536 56.100 -0.135 0.000 0.963 564 R CB -0.342 29.895 30.300 -0.105 0.000 0.858 564 R HN 0.537 nan 8.270 nan 0.000 0.435 565 W N 2.396 123.517 121.300 -0.298 0.000 2.379 565 W HA -0.164 4.496 4.660 0.001 0.000 0.307 565 W C 1.675 177.972 176.519 -0.371 0.000 1.200 565 W CA 1.558 58.719 57.345 -0.306 0.000 1.297 565 W CB -0.338 28.925 29.460 -0.328 0.000 1.140 565 W HN -0.004 nan 8.180 nan 0.000 0.507 566 D N 0.110 120.209 120.400 -0.502 0.000 2.123 566 D HA -0.199 4.441 4.640 0.001 0.000 0.196 566 D C 2.271 178.245 176.300 -0.542 0.000 0.992 566 D CA 2.179 55.795 54.000 -0.641 0.000 0.833 566 D CB -0.620 39.915 40.800 -0.443 0.000 0.954 566 D HN 0.164 nan 8.370 nan 0.000 0.455 567 A N 0.465 123.018 122.820 -0.445 0.000 1.902 567 A HA -0.008 4.312 4.320 0.001 0.000 0.217 567 A C 2.352 179.681 177.584 -0.425 0.000 1.181 567 A CA 2.269 54.028 52.037 -0.464 0.000 0.623 567 A CB -0.897 17.874 19.000 -0.382 0.000 0.818 567 A HN 0.288 nan 8.150 nan 0.000 0.443 568 A N -1.150 121.413 122.820 -0.428 0.000 1.933 568 A HA -0.154 4.166 4.320 0.001 0.000 0.218 568 A C 2.089 179.481 177.584 -0.320 0.000 1.175 568 A CA 1.645 53.467 52.037 -0.359 0.000 0.628 568 A CB -0.396 18.396 19.000 -0.347 0.000 0.814 568 A HN 0.484 nan 8.150 nan 0.000 0.444 569 Q N 0.109 119.572 119.800 -0.562 0.000 2.079 569 Q HA -0.077 4.263 4.340 0.001 0.000 0.200 569 Q C 2.359 178.187 176.000 -0.288 0.000 0.974 569 Q CA 1.740 57.240 55.803 -0.506 0.000 0.840 569 Q CB -0.820 27.427 28.738 -0.820 0.000 0.898 569 Q HN 0.616 nan 8.270 nan 0.000 0.430 570 S N 1.137 116.657 115.700 -0.301 0.000 2.383 570 S HA -0.095 4.376 4.470 0.001 0.000 0.227 570 S C 1.883 176.410 174.600 -0.122 0.000 1.026 570 S CA 0.681 58.759 58.200 -0.203 0.000 0.981 570 S CB -0.205 62.782 63.200 -0.355 0.000 0.818 570 S HN 0.227 nan 8.310 nan 0.000 0.472 571 L N 1.725 122.877 121.223 -0.119 0.000 2.027 571 L HA 0.046 4.387 4.340 0.001 0.000 0.206 571 L C 1.924 178.883 176.870 0.148 0.000 1.074 571 L CA 1.598 56.458 54.840 0.032 0.000 0.745 571 L CB -0.519 41.549 42.059 0.015 0.000 0.898 571 L HN 0.267 nan 8.230 nan 0.000 0.433 572 L N -0.841 120.442 121.223 0.101 0.000 2.093 572 L HA -0.144 4.196 4.340 0.001 0.000 0.208 572 L C 2.684 179.587 176.870 0.054 0.000 1.085 572 L CA 0.982 55.901 54.840 0.131 0.000 0.755 572 L CB -0.924 41.175 42.059 0.068 0.000 0.904 572 L HN 0.367 nan 8.230 nan 0.000 0.435 573 A N -0.048 122.754 122.820 -0.030 0.000 1.892 573 A HA -0.266 4.055 4.320 0.001 0.000 0.218 573 A C 2.367 179.880 177.584 -0.119 0.000 1.188 573 A CA 2.617 54.608 52.037 -0.078 0.000 0.631 573 A CB -1.078 17.869 19.000 -0.087 0.000 0.822 573 A HN 0.400 nan 8.150 nan 0.000 0.447 574 T N -1.182 113.268 114.554 -0.175 0.000 2.665 574 T HA -0.200 4.151 4.350 0.001 0.000 0.268 574 T C 1.634 176.033 174.700 -0.503 0.000 1.035 574 T CA 2.042 63.916 62.100 -0.377 0.000 1.151 574 T CB -0.477 68.044 68.868 -0.577 0.000 0.862 574 T HN 0.644 nan 8.240 nan 0.000 0.438 575 Y N 0.094 120.403 120.300 0.014 0.000 2.519 575 Y HA 0.282 4.832 4.550 0.001 0.000 0.287 575 Y C 2.087 178.007 175.900 0.032 0.000 1.128 575 Y CA -0.036 58.075 58.100 0.018 0.000 1.282 575 Y CB -0.360 38.100 38.460 -0.000 0.000 1.027 575 Y HN 0.182 nan 8.280 nan 0.000 0.551 576 I N 0.030 120.660 120.570 0.100 0.000 2.286 576 I HA -0.257 3.914 4.170 0.001 0.000 0.245 576 I C 2.087 178.320 176.117 0.193 0.000 1.104 576 I CA 1.382 62.756 61.300 0.124 0.000 1.397 576 I CB -0.217 37.838 38.000 0.091 0.000 1.072 576 I HN 0.117 nan 8.210 nan 0.000 0.417 577 K N 0.369 120.822 120.400 0.088 0.000 2.057 577 K HA -0.193 4.127 4.320 0.001 0.000 0.206 577 K C 2.095 178.794 176.600 0.165 0.000 1.050 577 K CA 1.234 57.610 56.287 0.149 0.000 0.935 577 K CB -0.310 32.136 32.500 -0.090 0.000 0.715 577 K HN 0.114 nan 8.250 nan 0.000 0.439 578 L N 2.062 123.324 121.223 0.065 0.000 2.012 578 L HA -0.202 4.138 4.340 0.001 0.000 0.210 578 L C 1.516 178.454 176.870 0.115 0.000 1.073 578 L CA 1.835 56.720 54.840 0.075 0.000 0.748 578 L CB -0.468 41.634 42.059 0.070 0.000 0.891 578 L HN 0.181 nan 8.230 nan 0.000 0.431 579 N N -0.992 117.787 118.700 0.132 0.000 2.409 579 N HA -0.072 4.668 4.740 0.001 0.000 0.179 579 N C 1.802 177.381 175.510 0.116 0.000 1.032 579 N CA 1.245 54.366 53.050 0.118 0.000 0.898 579 N CB 0.054 38.605 38.487 0.107 0.000 0.971 579 N HN 0.294 nan 8.380 nan 0.000 0.441 580 V N 1.496 121.483 119.914 0.122 0.000 2.453 580 V HA -0.113 4.008 4.120 0.001 0.000 0.247 580 V C 2.419 178.545 176.094 0.054 0.000 1.048 580 V CA 1.571 63.889 62.300 0.030 0.000 1.049 580 V CB -0.630 31.129 31.823 -0.107 0.000 0.672 580 V HN 0.232 nan 8.190 nan 0.000 0.457 581 A N -0.018 122.858 122.820 0.094 0.000 1.933 581 A HA -0.215 4.105 4.320 0.001 0.000 0.218 581 A C 2.350 179.976 177.584 0.070 0.000 1.175 581 A CA 1.716 53.799 52.037 0.077 0.000 0.628 581 A CB -0.442 18.611 19.000 0.088 0.000 0.814 581 A HN 0.504 nan 8.150 nan 0.000 0.444 582 R N -1.592 118.956 120.500 0.080 0.000 2.075 582 R HA -0.118 4.223 4.340 0.001 0.000 0.232 582 R C 2.324 178.657 176.300 0.056 0.000 1.126 582 R CA 1.238 57.374 56.100 0.061 0.000 0.963 582 R CB -0.536 29.801 30.300 0.063 0.000 0.858 582 R HN 0.752 nan 8.270 nan 0.000 0.435 583 H N 1.557 120.624 119.070 -0.005 0.000 2.352 583 H HA -0.123 4.434 4.556 0.001 0.000 0.299 583 H C 1.466 176.780 175.328 -0.023 0.000 1.097 583 H CA 1.722 57.759 56.048 -0.018 0.000 1.311 583 H CB 0.235 29.978 29.762 -0.032 0.000 1.377 583 H HN 0.301 nan 8.280 nan 0.000 0.504 584 Q N -0.329 119.546 119.800 0.127 0.000 2.437 584 Q HA -0.085 4.256 4.340 0.001 0.000 0.210 584 Q C 1.107 177.103 176.000 -0.006 0.000 0.972 584 Q CA 0.672 56.516 55.803 0.067 0.000 0.903 584 Q CB 0.295 29.064 28.738 0.051 0.000 0.967 584 Q HN 0.443 nan 8.270 nan 0.000 0.486 585 Q N -1.037 118.751 119.800 -0.021 0.000 2.172 585 Q HA 0.175 4.516 4.340 0.001 0.000 0.217 585 Q C 0.627 176.593 176.000 -0.057 0.000 0.832 585 Q CA 0.431 56.218 55.803 -0.028 0.000 1.010 585 Q CB 1.307 30.042 28.738 -0.005 0.000 1.133 585 Q HN 0.451 nan 8.270 nan 0.000 0.489 586 G N 1.485 110.215 108.800 -0.116 0.000 2.160 586 G HA2 -0.312 3.648 3.960 0.001 0.000 0.251 586 G HA3 -0.312 3.648 3.960 0.001 0.000 0.251 586 G C -0.025 174.817 174.900 -0.097 0.000 1.008 586 G CA 0.325 45.342 45.100 -0.139 0.000 0.724 586 G HN 0.352 nan 8.290 nan 0.000 0.514 587 Q N 0.578 120.336 119.800 -0.069 0.000 2.245 587 Q HA 0.552 4.892 4.340 0.001 0.000 0.256 587 Q C -1.841 174.147 176.000 -0.020 0.000 0.942 587 Q CA -1.810 53.974 55.803 -0.031 0.000 0.896 587 Q CB 2.184 30.919 28.738 -0.006 0.000 1.272 587 Q HN 0.310 nan 8.270 nan 0.000 0.442 588 P HA 0.015 nan 4.420 nan 0.000 0.274 588 P C -0.709 176.601 177.300 0.018 0.000 1.256 588 P CA -0.580 62.521 63.100 0.002 0.000 0.795 588 P CB 0.736 32.433 31.700 -0.005 0.000 1.038 589 L N 0.801 122.035 121.223 0.018 0.000 2.525 589 L HA 0.139 4.479 4.340 0.001 0.000 0.278 589 L C 0.427 177.304 176.870 0.011 0.000 1.218 589 L CA 1.090 55.942 54.840 0.020 0.000 0.878 589 L CB 0.158 42.218 42.059 0.001 0.000 1.127 589 L HN 0.418 nan 8.230 nan 0.000 0.492 590 S N 5.046 120.762 115.700 0.025 0.000 2.594 590 S HA 0.741 5.212 4.470 0.001 0.000 0.296 590 S C -1.314 173.281 174.600 -0.008 0.000 1.124 590 S CA -0.687 57.522 58.200 0.015 0.000 1.011 590 S CB 0.973 64.200 63.200 0.044 0.000 1.016 590 S HN 0.595 nan 8.310 nan 0.000 0.485 591 L N 6.041 127.210 121.223 -0.091 0.000 2.505 591 L HA 0.669 5.009 4.340 0.001 0.000 0.266 591 L C -2.618 174.077 176.870 -0.291 0.000 0.954 591 L CA -1.264 53.430 54.840 -0.243 0.000 0.852 591 L CB 1.783 43.709 42.059 -0.222 0.000 1.282 591 L HN 0.497 nan 8.230 nan 0.000 0.403 592 P HA 0.159 nan 4.420 nan 0.000 0.269 592 P C 0.902 177.974 177.300 -0.381 0.000 1.209 592 P CA -0.461 62.400 63.100 -0.398 0.000 0.776 592 P CB 0.855 32.176 31.700 -0.630 0.000 0.876 593 V N 2.254 122.057 119.914 -0.185 0.000 2.332 593 V HA -0.284 3.836 4.120 0.001 0.000 0.248 593 V C 2.263 178.295 176.094 -0.103 0.000 1.055 593 V CA 2.236 64.472 62.300 -0.106 0.000 1.038 593 V CB -1.561 30.252 31.823 -0.017 0.000 0.651 593 V HN 0.773 nan 8.190 nan 0.000 0.450 594 H N -0.747 118.288 119.070 -0.058 0.000 2.489 594 H HA -0.046 4.511 4.556 0.001 0.000 0.293 594 H C 2.121 177.415 175.328 -0.057 0.000 1.066 594 H CA 1.663 57.683 56.048 -0.047 0.000 1.305 594 H CB -0.589 29.157 29.762 -0.027 0.000 1.386 594 H HN 0.372 nan 8.280 nan 0.000 0.551 595 V N 1.615 121.272 119.914 -0.428 0.000 2.407 595 V HA -0.117 4.004 4.120 0.001 0.000 0.245 595 V C 3.142 179.227 176.094 -0.014 0.000 1.041 595 V CA 1.405 63.559 62.300 -0.243 0.000 1.040 595 V CB -0.912 30.635 31.823 -0.460 0.000 0.671 595 V HN 0.619 nan 8.190 nan 0.000 0.455 596 A N -0.108 122.668 122.820 -0.072 0.000 1.933 596 A HA -0.236 4.084 4.320 0.001 0.000 0.218 596 A C 1.945 179.549 177.584 0.033 0.000 1.175 596 A CA 1.898 53.935 52.037 0.000 0.000 0.628 596 A CB -0.557 18.398 19.000 -0.074 0.000 0.814 596 A HN 0.534 nan 8.150 nan 0.000 0.444 597 D N 0.187 120.582 120.400 -0.008 0.000 2.178 597 D HA -0.046 4.595 4.640 0.001 0.000 0.201 597 D C 2.189 178.464 176.300 -0.042 0.000 0.980 597 D CA 1.330 55.322 54.000 -0.013 0.000 0.842 597 D CB -0.359 40.440 40.800 -0.002 0.000 0.948 597 D HN 0.442 nan 8.370 nan 0.000 0.472 598 A N 0.250 123.024 122.820 -0.077 0.000 1.902 598 A HA -0.158 4.163 4.320 0.001 0.000 0.217 598 A C 1.953 179.333 177.584 -0.339 0.000 1.181 598 A CA 1.012 52.910 52.037 -0.232 0.000 0.623 598 A CB -0.887 17.911 19.000 -0.336 0.000 0.818 598 A HN 0.156 nan 8.150 nan 0.000 0.443 599 F N -0.704 119.181 119.950 -0.108 0.000 2.367 599 F HA 0.050 4.578 4.527 0.001 0.000 0.298 599 F C 2.371 178.101 175.800 -0.117 0.000 1.094 599 F CA 1.222 59.151 58.000 -0.119 0.000 1.409 599 F CB -0.169 38.739 39.000 -0.154 0.000 1.064 599 F HN 0.151 nan 8.300 nan 0.000 0.528 600 R N 0.632 121.154 120.500 0.035 0.000 2.075 600 R HA -0.118 4.222 4.340 0.001 0.000 0.232 600 R C 2.331 178.610 176.300 -0.034 0.000 1.126 600 R CA 1.208 57.302 56.100 -0.010 0.000 0.963 600 R CB -0.410 29.877 30.300 -0.021 0.000 0.858 600 R HN 0.249 nan 8.270 nan 0.000 0.435 601 A N 0.303 123.084 122.820 -0.065 0.000 1.933 601 A HA -0.099 4.221 4.320 0.001 0.000 0.218 601 A C 2.228 179.758 177.584 -0.091 0.000 1.175 601 A CA 1.474 53.459 52.037 -0.087 0.000 0.628 601 A CB -0.468 18.459 19.000 -0.122 0.000 0.814 601 A HN 0.223 nan 8.150 nan 0.000 0.444 602 V N -0.043 119.810 119.914 -0.102 0.000 2.343 602 V HA -0.247 3.874 4.120 0.001 0.000 0.247 602 V C 2.546 178.623 176.094 -0.028 0.000 1.051 602 V CA 1.897 64.148 62.300 -0.080 0.000 1.036 602 V CB -0.695 31.081 31.823 -0.078 0.000 0.654 602 V HN 0.573 nan 8.190 nan 0.000 0.451 603 L N -0.754 120.464 121.223 -0.008 0.000 2.046 603 L HA -0.145 4.196 4.340 0.001 0.000 0.208 603 L C 2.094 178.962 176.870 -0.003 0.000 1.077 603 L CA 1.504 56.348 54.840 0.007 0.000 0.747 603 L CB -0.284 41.779 42.059 0.007 0.000 0.896 603 L HN 0.309 nan 8.230 nan 0.000 0.432 604 L N -1.244 119.968 121.223 -0.018 0.000 2.591 604 L HA 0.050 4.391 4.340 0.001 0.000 0.228 604 L C 0.460 177.312 176.870 -0.029 0.000 1.133 604 L CA -0.214 54.614 54.840 -0.020 0.000 0.880 604 L CB -0.227 41.819 42.059 -0.023 0.000 1.033 604 L HN 0.110 nan 8.230 nan 0.000 0.450 605 D N 1.727 122.103 120.400 -0.039 0.000 2.344 605 D HA -0.035 4.606 4.640 0.001 0.000 0.253 605 D C 1.208 177.487 176.300 -0.034 0.000 1.255 605 D CA 0.025 53.996 54.000 -0.049 0.000 0.894 605 D CB 1.114 41.871 40.800 -0.072 0.000 1.067 605 D HN 0.218 nan 8.370 nan 0.000 0.492 606 E N 3.662 123.844 120.200 -0.029 0.000 2.427 606 E HA -0.137 4.213 4.350 0.001 0.000 0.196 606 E C 0.689 177.275 176.600 -0.023 0.000 1.028 606 E CA 0.652 57.039 56.400 -0.021 0.000 0.864 606 E CB -0.046 29.643 29.700 -0.017 0.000 0.813 606 E HN 0.464 nan 8.360 nan 0.000 0.514 607 K N 0.456 120.837 120.400 -0.032 0.000 2.361 607 K HA 0.239 4.560 4.320 0.001 0.000 0.196 607 K C 1.117 177.697 176.600 -0.034 0.000 1.039 607 K CA -0.161 56.108 56.287 -0.031 0.000 1.001 607 K CB 0.453 32.931 32.500 -0.036 0.000 0.795 607 K HN 0.136 nan 8.250 nan 0.000 0.495 608 I N 1.969 122.516 120.570 -0.038 0.000 2.575 608 I HA -0.029 4.142 4.170 0.001 0.000 0.285 608 I C -0.098 176.005 176.117 -0.022 0.000 1.085 608 I CA -0.354 60.924 61.300 -0.036 0.000 1.403 608 I CB 0.651 38.625 38.000 -0.044 0.000 1.409 608 I HN 0.027 nan 8.210 nan 0.000 0.557 609 D N 9.039 129.427 120.400 -0.019 0.000 2.450 609 D HA 0.072 4.712 4.640 0.001 0.000 0.247 609 D C -1.787 174.508 176.300 -0.007 0.000 1.162 609 D CA -1.764 52.228 54.000 -0.014 0.000 0.879 609 D CB 1.597 42.388 40.800 -0.015 0.000 1.163 609 D HN 0.301 nan 8.370 nan 0.000 0.472 610 P HA -0.140 nan 4.420 nan 0.000 0.217 610 P C 0.897 178.202 177.300 0.007 0.000 1.148 610 P CA 1.675 64.777 63.100 0.003 0.000 0.828 610 P CB 0.168 31.866 31.700 -0.004 0.000 0.783 611 A N -0.664 122.154 122.820 -0.004 0.000 1.902 611 A HA -0.192 4.128 4.320 0.001 0.000 0.217 611 A C 2.111 179.691 177.584 -0.008 0.000 1.181 611 A CA 1.626 53.658 52.037 -0.009 0.000 0.623 611 A CB -1.589 17.397 19.000 -0.022 0.000 0.818 611 A HN 0.192 nan 8.150 nan 0.000 0.443 612 L N -0.446 120.775 121.223 -0.003 0.000 2.044 612 L HA 0.090 4.430 4.340 0.001 0.000 0.205 612 L C 2.626 179.525 176.870 0.048 0.000 1.075 612 L CA 2.117 56.963 54.840 0.010 0.000 0.747 612 L CB -0.926 41.137 42.059 0.007 0.000 0.903 612 L HN 0.313 nan 8.230 nan 0.000 0.435 613 A N -0.056 122.788 122.820 0.040 0.000 1.908 613 A HA -0.180 4.141 4.320 0.001 0.000 0.218 613 A C 2.481 180.128 177.584 0.105 0.000 1.181 613 A CA 2.116 54.191 52.037 0.063 0.000 0.627 613 A CB -1.309 17.717 19.000 0.043 0.000 0.818 613 A HN 0.616 nan 8.150 nan 0.000 0.445 614 A N -0.501 122.369 122.820 0.084 0.000 1.908 614 A HA -0.173 4.147 4.320 0.001 0.000 0.218 614 A C 1.937 179.595 177.584 0.124 0.000 1.181 614 A CA 1.840 53.937 52.037 0.100 0.000 0.627 614 A CB -0.409 18.627 19.000 0.061 0.000 0.818 614 A HN 0.478 nan 8.150 nan 0.000 0.445 615 E N -0.090 120.172 120.200 0.103 0.000 2.107 615 E HA -0.068 4.283 4.350 0.001 0.000 0.191 615 E C 1.954 178.770 176.600 0.360 0.000 0.982 615 E CA 0.806 57.286 56.400 0.132 0.000 0.809 615 E CB -0.431 29.220 29.700 -0.082 0.000 0.756 615 E HN 0.736 nan 8.360 nan 0.000 0.459 616 I N 0.701 121.488 120.570 0.361 0.000 2.361 616 I HA -0.210 3.961 4.170 0.001 0.000 0.251 616 I C 1.879 178.220 176.117 0.374 0.000 1.133 616 I CA 0.808 62.328 61.300 0.367 0.000 1.413 616 I CB -0.094 38.027 38.000 0.202 0.000 1.073 616 I HN 0.001 nan 8.210 nan 0.000 0.424 617 L N 0.133 121.546 121.223 0.317 0.000 2.627 617 L HA 0.063 4.403 4.340 0.001 0.000 0.232 617 L C 0.164 177.236 176.870 0.337 0.000 1.150 617 L CA 0.201 55.251 54.840 0.349 0.000 0.917 617 L CB -0.386 41.868 42.059 0.325 0.000 1.104 617 L HN 0.062 nan 8.230 nan 0.000 0.445 618 T N 1.485 116.189 114.554 0.250 0.000 2.801 618 T HA 0.407 4.758 4.350 0.001 0.000 0.306 618 T C 0.213 175.005 174.700 0.152 0.000 1.020 618 T CA -0.416 61.777 62.100 0.156 0.000 0.948 618 T CB 0.916 69.864 68.868 0.134 0.000 0.962 618 T HN -0.002 nan 8.240 nan 0.000 0.465 619 L N 5.532 126.801 121.223 0.076 0.000 2.467 619 L HA 0.264 4.605 4.340 0.001 0.000 0.270 619 L C -1.440 175.462 176.870 0.055 0.000 1.205 619 L CA -1.832 53.036 54.840 0.047 0.000 0.828 619 L CB -0.069 41.984 42.059 -0.009 0.000 1.101 619 L HN 0.328 nan 8.230 nan 0.000 0.479 620 P HA 0.011 nan 4.420 nan 0.000 0.266 620 P C -0.403 176.921 177.300 0.040 0.000 1.195 620 P CA -0.316 62.821 63.100 0.061 0.000 0.768 620 P CB 0.698 32.418 31.700 0.034 0.000 0.838 621 S N 1.081 116.807 115.700 0.044 0.000 2.596 621 S HA 0.043 4.514 4.470 0.001 0.000 0.260 621 S C 1.618 176.239 174.600 0.035 0.000 1.336 621 S CA -0.092 58.125 58.200 0.029 0.000 0.993 621 S CB -0.016 63.202 63.200 0.029 0.000 0.923 621 S HN 0.406 nan 8.310 nan 0.000 0.567 622 V N -0.625 119.306 119.914 0.028 0.000 2.490 622 V HA -0.133 3.988 4.120 0.001 0.000 0.250 622 V C 1.982 178.115 176.094 0.064 0.000 1.061 622 V CA 1.768 64.092 62.300 0.040 0.000 1.064 622 V CB -1.265 30.574 31.823 0.027 0.000 0.670 622 V HN 0.809 nan 8.190 nan 0.000 0.461 623 N N 0.685 119.420 118.700 0.059 0.000 2.270 623 N HA -0.092 4.649 4.740 0.001 0.000 0.181 623 N C 1.902 177.455 175.510 0.073 0.000 1.016 623 N CA 1.659 54.752 53.050 0.072 0.000 0.870 623 N CB -0.105 38.417 38.487 0.058 0.000 0.979 623 N HN 0.686 nan 8.380 nan 0.000 0.431 624 E N 0.640 120.875 120.200 0.058 0.000 2.072 624 E HA -0.059 4.292 4.350 0.001 0.000 0.191 624 E C 1.954 178.593 176.600 0.065 0.000 0.985 624 E CA 0.839 57.269 56.400 0.050 0.000 0.801 624 E CB -0.046 29.681 29.700 0.045 0.000 0.750 624 E HN 0.327 nan 8.360 nan 0.000 0.452 625 M N 0.452 120.104 119.600 0.085 0.000 2.159 625 M HA -0.125 4.355 4.480 0.001 0.000 0.263 625 M C 2.490 178.933 176.300 0.239 0.000 1.063 625 M CA 1.228 56.609 55.300 0.136 0.000 1.110 625 M CB -0.236 32.457 32.600 0.154 0.000 1.374 625 M HN 0.106 nan 8.290 nan 0.000 0.411 626 A N 0.125 123.066 122.820 0.202 0.000 1.978 626 A HA -0.147 4.174 4.320 0.001 0.000 0.220 626 A C 1.894 179.608 177.584 0.216 0.000 1.170 626 A CA 1.434 53.609 52.037 0.231 0.000 0.636 626 A CB -0.471 18.603 19.000 0.124 0.000 0.810 626 A HN 0.376 nan 8.150 nan 0.000 0.448 627 E N -0.201 120.080 120.200 0.136 0.000 2.516 627 E HA 0.015 4.366 4.350 0.001 0.000 0.199 627 E C 1.419 178.040 176.600 0.035 0.000 1.069 627 E CA 0.313 56.780 56.400 0.111 0.000 0.876 627 E CB -0.178 29.608 29.700 0.143 0.000 0.843 627 E HN 0.708 nan 8.360 nan 0.000 0.530 628 L N -0.510 120.653 121.223 -0.099 0.000 2.558 628 L HA 0.111 4.451 4.340 0.001 0.000 0.225 628 L C 0.149 176.645 176.870 -0.624 0.000 1.128 628 L CA 0.175 54.775 54.840 -0.399 0.000 0.868 628 L CB 0.035 41.703 42.059 -0.652 0.000 1.006 628 L HN -0.070 nan 8.230 nan 0.000 0.454 629 F N -1.182 118.767 119.950 -0.002 0.000 2.546 629 F HA 0.277 4.805 4.527 0.001 0.000 0.320 629 F C 1.116 176.894 175.800 -0.037 0.000 1.076 629 F CA -0.955 57.030 58.000 -0.025 0.000 0.928 629 F CB 1.026 39.996 39.000 -0.051 0.000 1.189 629 F HN -0.208 nan 8.300 nan 0.000 0.465 630 D N 0.913 121.405 120.400 0.152 0.000 2.103 630 D HA 0.010 4.651 4.640 0.001 0.000 0.199 630 D C 0.548 176.861 176.300 0.020 0.000 0.978 630 D CA 1.643 55.681 54.000 0.064 0.000 0.829 630 D CB 0.399 41.229 40.800 0.049 0.000 0.981 630 D HN 0.038 nan 8.370 nan 0.000 0.464 631 I N 2.019 122.598 120.570 0.016 0.000 2.355 631 I HA 0.255 4.425 4.170 0.001 0.000 0.288 631 I C 0.255 176.274 176.117 -0.163 0.000 0.999 631 I CA -0.718 60.529 61.300 -0.088 0.000 1.163 631 I CB 1.368 39.333 38.000 -0.058 0.000 1.316 631 I HN -0.178 nan 8.210 nan 0.000 0.454 632 I N 5.470 125.824 120.570 -0.359 0.000 2.471 632 I HA 0.072 4.243 4.170 0.001 0.000 0.286 632 I C 0.350 176.250 176.117 -0.360 0.000 1.079 632 I CA 0.112 61.156 61.300 -0.427 0.000 1.398 632 I CB 0.552 38.151 38.000 -0.667 0.000 1.403 632 I HN 0.448 nan 8.210 nan 0.000 0.530 633 D N 9.622 129.834 120.400 -0.314 0.000 2.477 633 D HA 0.219 4.860 4.640 0.001 0.000 0.239 633 D C -1.524 174.674 176.300 -0.171 0.000 1.102 633 D CA -2.350 51.530 54.000 -0.200 0.000 0.901 633 D CB 1.441 42.097 40.800 -0.240 0.000 1.026 633 D HN 0.217 nan 8.370 nan 0.000 0.515 634 P HA -0.123 nan 4.420 nan 0.000 0.218 634 P C 1.757 179.031 177.300 -0.045 0.000 1.148 634 P CA 0.696 63.807 63.100 0.018 0.000 0.822 634 P CB 0.725 32.528 31.700 0.171 0.000 0.784 635 I N -0.002 120.532 120.570 -0.061 0.000 2.233 635 I HA -0.162 4.008 4.170 0.001 0.000 0.243 635 I C 2.694 178.643 176.117 -0.281 0.000 1.093 635 I CA 1.262 62.505 61.300 -0.095 0.000 1.380 635 I CB -0.853 37.133 38.000 -0.023 0.000 1.067 635 I HN -0.094 nan 8.210 nan 0.000 0.413 636 A N 1.208 123.782 122.820 -0.410 0.000 1.902 636 A HA -0.179 4.142 4.320 0.001 0.000 0.217 636 A C 2.304 179.590 177.584 -0.498 0.000 1.181 636 A CA 1.512 53.058 52.037 -0.819 0.000 0.623 636 A CB -0.821 17.891 19.000 -0.481 0.000 0.818 636 A HN 0.363 nan 8.150 nan 0.000 0.443 637 I N -0.362 120.023 120.570 -0.310 0.000 2.179 637 I HA -0.292 3.878 4.170 0.001 0.000 0.242 637 I C 2.998 179.040 176.117 -0.125 0.000 1.088 637 I CA 1.103 62.296 61.300 -0.177 0.000 1.357 637 I CB -0.356 37.578 38.000 -0.109 0.000 1.051 637 I HN 0.372 nan 8.210 nan 0.000 0.409 638 A N 0.508 123.256 122.820 -0.120 0.000 1.902 638 A HA -0.215 4.105 4.320 0.001 0.000 0.217 638 A C 2.203 179.729 177.584 -0.096 0.000 1.181 638 A CA 1.681 53.669 52.037 -0.082 0.000 0.623 638 A CB -0.569 18.397 19.000 -0.056 0.000 0.818 638 A HN 0.469 nan 8.150 nan 0.000 0.443 639 E N -0.379 119.737 120.200 -0.141 0.000 2.152 639 E HA -0.080 4.271 4.350 0.001 0.000 0.192 639 E C 1.942 178.496 176.600 -0.077 0.000 0.983 639 E CA 1.099 57.446 56.400 -0.090 0.000 0.818 639 E CB -0.246 29.429 29.700 -0.042 0.000 0.758 639 E HN 0.406 nan 8.360 nan 0.000 0.467 640 V N 1.426 121.271 119.914 -0.115 0.000 2.427 640 V HA -0.220 3.901 4.120 0.001 0.000 0.248 640 V C 2.460 178.517 176.094 -0.061 0.000 1.051 640 V CA 1.655 63.922 62.300 -0.055 0.000 1.048 640 V CB -0.455 31.344 31.823 -0.041 0.000 0.666 640 V HN 0.177 nan 8.190 nan 0.000 0.456 641 R N 0.093 120.549 120.500 -0.073 0.000 2.081 641 R HA -0.227 4.113 4.340 0.001 0.000 0.235 641 R C 2.367 178.580 176.300 -0.145 0.000 1.131 641 R CA 2.127 58.179 56.100 -0.080 0.000 0.960 641 R CB -0.218 30.044 30.300 -0.063 0.000 0.856 641 R HN 0.665 nan 8.270 nan 0.000 0.436 642 E N -0.377 119.722 120.200 -0.169 0.000 2.072 642 E HA -0.165 4.186 4.350 0.001 0.000 0.191 642 E C 1.767 178.168 176.600 -0.331 0.000 0.985 642 E CA 1.045 57.260 56.400 -0.309 0.000 0.801 642 E CB -0.088 29.482 29.700 -0.217 0.000 0.750 642 E HN 0.467 nan 8.360 nan 0.000 0.452 643 A N 1.092 123.807 122.820 -0.175 0.000 1.933 643 A HA -0.168 4.153 4.320 0.001 0.000 0.218 643 A C 2.121 179.629 177.584 -0.126 0.000 1.175 643 A CA 1.237 53.198 52.037 -0.126 0.000 0.628 643 A CB -0.611 18.361 19.000 -0.047 0.000 0.814 643 A HN 0.387 nan 8.150 nan 0.000 0.444 644 L N -0.226 120.930 121.223 -0.111 0.000 2.093 644 L HA -0.089 4.251 4.340 0.001 0.000 0.208 644 L C 2.418 179.238 176.870 -0.083 0.000 1.085 644 L CA 2.740 57.527 54.840 -0.090 0.000 0.755 644 L CB -1.054 40.964 42.059 -0.069 0.000 0.904 644 L HN 0.366 nan 8.230 nan 0.000 0.435 645 T N -0.514 113.959 114.554 -0.136 0.000 2.746 645 T HA -0.164 4.186 4.350 0.001 0.000 0.267 645 T C 2.007 176.665 174.700 -0.071 0.000 1.039 645 T CA 1.595 63.648 62.100 -0.078 0.000 1.142 645 T CB -0.182 68.440 68.868 -0.411 0.000 0.866 645 T HN 0.343 nan 8.240 nan 0.000 0.444 646 R N 0.513 120.847 120.500 -0.277 0.000 2.081 646 R HA -0.053 4.288 4.340 0.001 0.000 0.235 646 R C 2.784 179.062 176.300 -0.037 0.000 1.131 646 R CA 1.609 57.625 56.100 -0.139 0.000 0.960 646 R CB -0.649 29.557 30.300 -0.157 0.000 0.856 646 R HN 0.293 nan 8.270 nan 0.000 0.436 647 T N 1.499 116.013 114.554 -0.065 0.000 2.746 647 T HA -0.070 4.281 4.350 0.001 0.000 0.267 647 T C 1.842 176.493 174.700 -0.081 0.000 1.039 647 T CA 1.014 63.076 62.100 -0.063 0.000 1.142 647 T CB -0.100 68.721 68.868 -0.077 0.000 0.866 647 T HN 0.123 nan 8.240 nan 0.000 0.444 648 L N 0.648 121.805 121.223 -0.109 0.000 2.141 648 L HA -0.024 4.316 4.340 0.001 0.000 0.209 648 L C 2.996 179.744 176.870 -0.203 0.000 1.094 648 L CA 0.957 55.659 54.840 -0.230 0.000 0.763 648 L CB -0.611 41.192 42.059 -0.426 0.000 0.908 648 L HN 0.239 nan 8.230 nan 0.000 0.437 649 A N -0.381 122.427 122.820 -0.019 0.000 1.933 649 A HA -0.176 4.145 4.320 0.001 0.000 0.218 649 A C 2.361 179.955 177.584 0.017 0.000 1.175 649 A CA 2.260 54.340 52.037 0.072 0.000 0.628 649 A CB -0.750 18.392 19.000 0.236 0.000 0.814 649 A HN 0.363 nan 8.150 nan 0.000 0.444 650 T N -0.151 114.405 114.554 0.004 0.000 2.770 650 T HA -0.072 4.278 4.350 0.001 0.000 0.263 650 T C 1.772 176.455 174.700 -0.028 0.000 1.039 650 T CA 1.331 63.429 62.100 -0.004 0.000 1.142 650 T CB -0.198 68.668 68.868 -0.004 0.000 0.868 650 T HN 0.444 nan 8.240 nan 0.000 0.435 651 E N 1.150 121.318 120.200 -0.054 0.000 2.204 651 E HA 0.042 4.392 4.350 0.001 0.000 0.194 651 E C 1.512 178.072 176.600 -0.065 0.000 0.989 651 E CA 0.726 57.090 56.400 -0.060 0.000 0.824 651 E CB -0.089 29.564 29.700 -0.078 0.000 0.756 651 E HN 0.482 nan 8.360 nan 0.000 0.477 652 L N -0.317 120.853 121.223 -0.089 0.000 3.014 652 L HA 0.343 4.684 4.340 0.001 0.000 0.263 652 L C 1.854 178.690 176.870 -0.057 0.000 1.207 652 L CA -0.127 54.660 54.840 -0.089 0.000 1.017 652 L CB 0.122 42.085 42.059 -0.160 0.000 1.360 652 L HN -0.086 nan 8.230 nan 0.000 0.560 653 A N 0.929 123.729 122.820 -0.032 0.000 1.896 653 A HA -0.282 4.039 4.320 0.001 0.000 0.220 653 A C 1.891 179.474 177.584 -0.002 0.000 1.206 653 A CA 2.489 54.522 52.037 -0.008 0.000 0.647 653 A CB -0.357 18.643 19.000 -0.000 0.000 0.828 653 A HN 0.403 nan 8.150 nan 0.000 0.455 654 D N -0.647 119.751 120.400 -0.003 0.000 2.097 654 D HA -0.099 4.542 4.640 0.001 0.000 0.197 654 D C 1.958 178.266 176.300 0.013 0.000 0.984 654 D CA 1.653 55.657 54.000 0.006 0.000 0.826 654 D CB -0.476 40.325 40.800 0.003 0.000 0.973 654 D HN 0.597 nan 8.370 nan 0.000 0.460 655 E N 0.608 120.810 120.200 0.002 0.000 2.077 655 E HA -0.082 4.268 4.350 0.001 0.000 0.193 655 E C 2.346 178.963 176.600 0.028 0.000 0.989 655 E CA 0.343 56.748 56.400 0.008 0.000 0.800 655 E CB -0.292 29.403 29.700 -0.009 0.000 0.746 655 E HN 0.248 nan 8.360 nan 0.000 0.452 656 L N -0.002 121.234 121.223 0.021 0.000 2.017 656 L HA -0.173 4.168 4.340 0.001 0.000 0.208 656 L C 2.309 179.243 176.870 0.107 0.000 1.073 656 L CA 0.668 55.543 54.840 0.059 0.000 0.745 656 L CB -0.383 41.702 42.059 0.044 0.000 0.894 656 L HN 0.202 nan 8.230 nan 0.000 0.432 657 L N -0.035 121.232 121.223 0.075 0.000 2.093 657 L HA -0.109 4.231 4.340 0.001 0.000 0.208 657 L C 2.591 179.552 176.870 0.152 0.000 1.085 657 L CA 1.914 56.815 54.840 0.102 0.000 0.755 657 L CB -0.703 41.384 42.059 0.046 0.000 0.904 657 L HN 0.144 nan 8.230 nan 0.000 0.435 658 A N -0.284 122.593 122.820 0.096 0.000 1.902 658 A HA -0.161 4.160 4.320 0.001 0.000 0.217 658 A C 2.115 179.754 177.584 0.093 0.000 1.181 658 A CA 1.923 54.008 52.037 0.080 0.000 0.623 658 A CB -0.708 18.320 19.000 0.047 0.000 0.818 658 A HN 0.413 nan 8.150 nan 0.000 0.443 659 I N -1.604 119.027 120.570 0.102 0.000 2.353 659 I HA -0.165 4.005 4.170 0.001 0.000 0.248 659 I C 2.329 178.525 176.117 0.131 0.000 1.119 659 I CA 1.142 62.500 61.300 0.097 0.000 1.417 659 I CB -1.582 36.472 38.000 0.090 0.000 1.078 659 I HN 0.564 nan 8.210 nan 0.000 0.421 660 Y N 2.855 123.190 120.300 0.057 0.000 2.128 660 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 660 Y C 2.413 178.359 175.900 0.077 0.000 1.154 660 Y CA 1.921 60.063 58.100 0.070 0.000 1.149 660 Y CB -0.328 38.171 38.460 0.066 0.000 0.976 660 Y HN 0.190 nan 8.280 nan 0.000 0.505 661 N N 0.431 119.198 118.700 0.110 0.000 2.188 661 N HA -0.126 4.614 4.740 0.001 0.000 0.184 661 N C 1.955 177.471 175.510 0.010 0.000 1.018 661 N CA 1.360 54.419 53.050 0.015 0.000 0.858 661 N CB -0.753 37.783 38.487 0.081 0.000 0.989 661 N HN 0.518 nan 8.380 nan 0.000 0.426 662 A N 0.965 123.803 122.820 0.030 0.000 2.019 662 A HA -0.049 4.271 4.320 0.001 0.000 0.219 662 A C 1.619 179.211 177.584 0.015 0.000 1.164 662 A CA 1.040 53.094 52.037 0.027 0.000 0.644 662 A CB -0.223 18.794 19.000 0.027 0.000 0.805 662 A HN 0.261 nan 8.150 nan 0.000 0.449 663 N N -1.227 117.466 118.700 -0.012 0.000 2.268 663 N HA 0.064 4.804 4.740 0.001 0.000 0.204 663 N C -0.407 175.064 175.510 -0.065 0.000 1.124 663 N CA -0.168 52.859 53.050 -0.037 0.000 0.838 663 N CB 0.127 38.593 38.487 -0.036 0.000 0.994 663 N HN 0.601 nan 8.380 nan 0.000 0.489 664 Y N 2.544 122.747 120.300 -0.162 0.000 2.511 664 Y HA 0.002 4.553 4.550 0.001 0.000 0.332 664 Y C -0.213 175.629 175.900 -0.097 0.000 1.177 664 Y CA 0.329 58.331 58.100 -0.164 0.000 1.422 664 Y CB 0.445 38.813 38.460 -0.152 0.000 1.271 664 Y HN -0.007 nan 8.280 nan 0.000 0.550 665 Q N 4.091 123.342 119.800 -0.915 0.000 2.292 665 Q HA 0.226 4.567 4.340 0.001 0.000 0.270 665 Q C 0.448 175.910 176.000 -0.897 0.000 1.024 665 Q CA -0.198 55.181 55.803 -0.707 0.000 0.768 665 Q CB 1.962 30.489 28.738 -0.352 0.000 1.250 665 Q HN 0.904 nan 8.270 nan 0.000 0.447 666 S N 1.247 116.539 115.700 -0.680 0.000 2.371 666 S HA -0.011 4.459 4.470 0.001 0.000 0.224 666 S C 0.593 175.093 174.600 -0.168 0.000 1.029 666 S CA 0.546 58.544 58.200 -0.336 0.000 0.978 666 S CB 0.177 63.337 63.200 -0.065 0.000 0.833 666 S HN 0.489 nan 8.310 nan 0.000 0.466 667 E N 1.062 121.169 120.200 -0.155 0.000 2.313 667 E HA 0.256 4.607 4.350 0.001 0.000 0.276 667 E C -1.474 175.069 176.600 -0.094 0.000 1.031 667 E CA -0.357 55.985 56.400 -0.096 0.000 0.857 667 E CB 0.951 30.588 29.700 -0.105 0.000 1.040 667 E HN 0.542 nan 8.360 nan 0.000 0.408 668 Y N 3.273 123.479 120.300 -0.156 0.000 2.335 668 Y HA 0.309 4.859 4.550 0.001 0.000 0.339 668 Y C -0.499 175.282 175.900 -0.198 0.000 0.987 668 Y CA -0.462 57.531 58.100 -0.178 0.000 1.140 668 Y CB 0.706 39.071 38.460 -0.159 0.000 1.173 668 Y HN 0.318 nan 8.280 nan 0.000 0.486 669 R N 4.494 124.422 120.500 -0.953 0.000 2.628 669 R HA 0.502 4.843 4.340 0.001 0.000 0.288 669 R C -1.466 174.242 176.300 -0.985 0.000 0.980 669 R CA -1.187 54.449 56.100 -0.773 0.000 0.891 669 R CB 2.133 32.169 30.300 -0.440 0.000 1.188 669 R HN 0.475 nan 8.270 nan 0.000 0.450 670 V N 3.053 122.448 119.914 -0.865 0.000 2.096 670 V HA 0.155 4.275 4.120 0.001 0.000 0.259 670 V C -0.201 175.511 176.094 -0.635 0.000 1.420 670 V CA 0.213 61.988 62.300 -0.875 0.000 1.336 670 V CB -0.493 30.622 31.823 -1.181 0.000 1.394 670 V HN 0.701 nan 8.190 nan 0.000 0.494 671 E N 0.878 120.753 120.200 -0.541 0.000 2.272 671 E HA 0.409 4.759 4.350 0.001 0.000 0.269 671 E C 0.212 176.577 176.600 -0.391 0.000 0.877 671 E CA -0.825 55.321 56.400 -0.423 0.000 0.755 671 E CB 1.582 31.116 29.700 -0.277 0.000 1.192 671 E HN 0.386 nan 8.360 nan 0.000 0.422 672 H N 1.794 120.782 119.070 -0.136 0.000 2.353 672 H HA -0.167 4.390 4.556 0.001 0.000 0.298 672 H C 1.122 176.386 175.328 -0.107 0.000 1.103 672 H CA 1.634 57.614 56.048 -0.113 0.000 1.293 672 H CB 0.331 30.042 29.762 -0.086 0.000 1.372 672 H HN 0.621 nan 8.280 nan 0.000 0.501 673 E N 0.278 120.474 120.200 -0.006 0.000 2.077 673 E HA -0.139 4.211 4.350 0.001 0.000 0.193 673 E C 1.763 178.314 176.600 -0.081 0.000 0.989 673 E CA 1.162 57.540 56.400 -0.036 0.000 0.800 673 E CB 0.051 29.726 29.700 -0.042 0.000 0.746 673 E HN 0.472 nan 8.360 nan 0.000 0.452 674 D N 0.496 120.812 120.400 -0.139 0.000 2.117 674 D HA -0.103 4.538 4.640 0.001 0.000 0.198 674 D C 1.838 178.037 176.300 -0.168 0.000 0.982 674 D CA 0.761 54.653 54.000 -0.180 0.000 0.828 674 D CB -0.057 40.578 40.800 -0.274 0.000 0.967 674 D HN 0.134 nan 8.370 nan 0.000 0.464 675 I N 0.795 121.259 120.570 -0.177 0.000 2.286 675 I HA -0.260 3.911 4.170 0.001 0.000 0.248 675 I C 2.351 178.432 176.117 -0.059 0.000 1.115 675 I CA 0.924 62.146 61.300 -0.129 0.000 1.392 675 I CB -0.206 37.714 38.000 -0.132 0.000 1.065 675 I HN -0.028 nan 8.210 nan 0.000 0.418 676 A N 0.968 123.764 122.820 -0.041 0.000 1.877 676 A HA -0.225 4.095 4.320 0.001 0.000 0.216 676 A C 2.316 179.888 177.584 -0.021 0.000 1.186 676 A CA 1.672 53.697 52.037 -0.019 0.000 0.620 676 A CB -0.448 18.544 19.000 -0.013 0.000 0.822 676 A HN 0.311 nan 8.150 nan 0.000 0.443 677 K N -0.885 119.492 120.400 -0.039 0.000 2.097 677 K HA -0.149 4.172 4.320 0.001 0.000 0.206 677 K C 2.360 178.940 176.600 -0.033 0.000 1.049 677 K CA 1.551 57.816 56.287 -0.038 0.000 0.933 677 K CB -0.158 32.305 32.500 -0.062 0.000 0.717 677 K HN 0.474 nan 8.250 nan 0.000 0.442 678 R N 0.681 121.155 120.500 -0.044 0.000 2.092 678 R HA -0.085 4.255 4.340 0.001 0.000 0.231 678 R C 1.871 178.179 176.300 0.013 0.000 1.119 678 R CA 1.699 57.785 56.100 -0.024 0.000 0.970 678 R CB -0.136 30.150 30.300 -0.024 0.000 0.864 678 R HN 0.072 nan 8.270 nan 0.000 0.440 679 T N 1.534 116.094 114.554 0.011 0.000 2.821 679 T HA -0.131 4.220 4.350 0.001 0.000 0.267 679 T C 1.569 176.301 174.700 0.054 0.000 1.046 679 T CA 1.154 63.272 62.100 0.030 0.000 1.139 679 T CB -0.171 68.709 68.868 0.019 0.000 0.871 679 T HN 0.156 nan 8.240 nan 0.000 0.454 680 L N 1.399 122.652 121.223 0.049 0.000 2.056 680 L HA 0.128 4.468 4.340 0.001 0.000 0.207 680 L C 2.472 179.407 176.870 0.108 0.000 1.078 680 L CA 1.693 56.579 54.840 0.077 0.000 0.749 680 L CB -0.604 41.488 42.059 0.055 0.000 0.901 680 L HN 0.034 nan 8.230 nan 0.000 0.433 681 R N -0.529 120.019 120.500 0.079 0.000 2.083 681 R HA -0.170 4.171 4.340 0.001 0.000 0.237 681 R C 1.890 178.326 176.300 0.227 0.000 1.137 681 R CA 1.816 57.982 56.100 0.109 0.000 0.951 681 R CB -0.222 30.057 30.300 -0.035 0.000 0.851 681 R HN 0.466 nan 8.270 nan 0.000 0.434 682 N N 0.154 118.947 118.700 0.155 0.000 2.409 682 N HA -0.062 4.678 4.740 0.001 0.000 0.179 682 N C 1.344 176.930 175.510 0.126 0.000 1.032 682 N CA 1.058 54.202 53.050 0.156 0.000 0.898 682 N CB 0.002 38.550 38.487 0.100 0.000 0.971 682 N HN 0.313 nan 8.380 nan 0.000 0.441 683 A N 0.350 123.249 122.820 0.132 0.000 1.930 683 A HA -0.094 4.227 4.320 0.001 0.000 0.217 683 A C 2.534 180.249 177.584 0.218 0.000 1.175 683 A CA 0.903 53.019 52.037 0.131 0.000 0.627 683 A CB -0.814 18.284 19.000 0.164 0.000 0.815 683 A HN 0.383 nan 8.150 nan 0.000 0.443 684 C N -1.271 118.194 119.300 0.275 0.000 2.440 684 C HA -0.035 4.426 4.460 0.001 0.000 0.278 684 C C 2.506 177.642 174.990 0.244 0.000 1.295 684 C CA 1.010 60.230 59.018 0.337 0.000 1.738 684 C CB -1.377 26.544 27.740 0.302 0.000 1.987 684 C HN 0.673 nan 8.230 nan 0.000 0.492 685 L N 1.490 122.820 121.223 0.180 0.000 2.079 685 L HA -0.138 4.203 4.340 0.001 0.000 0.210 685 L C 2.652 179.517 176.870 -0.009 0.000 1.081 685 L CA 1.779 56.636 54.840 0.029 0.000 0.752 685 L CB -0.651 41.469 42.059 0.101 0.000 0.896 685 L HN 0.266 nan 8.230 nan 0.000 0.433 686 R N -1.419 119.061 120.500 -0.033 0.000 2.091 686 R HA -0.195 4.146 4.340 0.001 0.000 0.238 686 R C 2.184 178.425 176.300 -0.098 0.000 1.136 686 R CA 1.957 57.972 56.100 -0.141 0.000 0.959 686 R CB -0.608 29.504 30.300 -0.315 0.000 0.856 686 R HN 0.351 nan 8.270 nan 0.000 0.437 687 F N 0.616 120.626 119.950 0.100 0.000 2.187 687 F HA -0.031 4.496 4.527 0.001 0.000 0.295 687 F C 2.252 178.109 175.800 0.096 0.000 1.091 687 F CA 0.780 58.852 58.000 0.119 0.000 1.308 687 F CB -0.551 38.474 39.000 0.042 0.000 1.030 687 F HN -0.113 nan 8.300 nan 0.000 0.487 688 L N -0.218 121.113 121.223 0.180 0.000 2.187 688 L HA -0.206 4.134 4.340 0.001 0.000 0.213 688 L C 2.554 179.400 176.870 -0.040 0.000 1.100 688 L CA 0.926 55.782 54.840 0.026 0.000 0.765 688 L CB -0.964 41.021 42.059 -0.123 0.000 0.904 688 L HN 0.156 nan 8.230 nan 0.000 0.437 689 A N -0.652 122.119 122.820 -0.081 0.000 2.067 689 A HA -0.124 4.196 4.320 0.001 0.000 0.219 689 A C 1.567 178.924 177.584 -0.378 0.000 1.158 689 A CA 1.169 53.052 52.037 -0.256 0.000 0.661 689 A CB -0.502 18.285 19.000 -0.354 0.000 0.801 689 A HN 0.386 nan 8.150 nan 0.000 0.452 690 F N -0.307 119.629 119.950 -0.023 0.000 2.639 690 F HA 0.329 4.857 4.527 0.001 0.000 0.300 690 F C 1.582 177.382 175.800 0.001 0.000 1.109 690 F CA -0.291 57.704 58.000 -0.009 0.000 1.335 690 F CB -0.036 38.969 39.000 0.008 0.000 1.014 690 F HN 0.205 nan 8.300 nan 0.000 0.537 691 G N -0.700 108.153 108.800 0.089 0.000 2.494 691 G HA2 0.053 4.013 3.960 0.001 0.000 0.270 691 G HA3 0.053 4.013 3.960 0.001 0.000 0.270 691 G C -0.329 174.591 174.900 0.034 0.000 1.423 691 G CA -0.451 44.684 45.100 0.059 0.000 1.055 691 G HN 0.029 nan 8.290 nan 0.000 0.536 692 E N -0.169 120.046 120.200 0.025 0.000 2.585 692 E HA -0.043 4.307 4.350 0.001 0.000 0.252 692 E C 1.664 178.275 176.600 0.019 0.000 0.981 692 E CA 0.303 56.721 56.400 0.029 0.000 0.943 692 E CB 0.243 29.964 29.700 0.035 0.000 0.923 692 E HN 0.363 nan 8.360 nan 0.000 0.486 693 T N 4.427 118.996 114.554 0.025 0.000 2.594 693 T HA -0.302 4.049 4.350 0.001 0.000 0.266 693 T C 1.425 176.140 174.700 0.025 0.000 1.070 693 T CA 2.233 64.341 62.100 0.012 0.000 1.166 693 T CB -0.617 68.266 68.868 0.026 0.000 0.862 693 T HN 0.687 nan 8.240 nan 0.000 0.436 694 H N 0.611 119.666 119.070 -0.025 0.000 2.321 694 H HA 0.005 4.562 4.556 0.001 0.000 0.300 694 H C 2.097 177.410 175.328 -0.025 0.000 1.087 694 H CA 1.465 57.499 56.048 -0.022 0.000 1.319 694 H CB -0.667 29.086 29.762 -0.014 0.000 1.379 694 H HN 0.202 nan 8.280 nan 0.000 0.501 695 L N 0.299 121.471 121.223 -0.085 0.000 2.012 695 L HA -0.088 4.252 4.340 0.001 0.000 0.210 695 L C 2.494 179.271 176.870 -0.156 0.000 1.073 695 L CA 2.054 56.812 54.840 -0.135 0.000 0.748 695 L CB -1.232 40.804 42.059 -0.039 0.000 0.891 695 L HN 0.412 nan 8.230 nan 0.000 0.431 696 A N -1.097 121.651 122.820 -0.119 0.000 1.898 696 A HA -0.260 4.061 4.320 0.001 0.000 0.216 696 A C 2.093 179.585 177.584 -0.153 0.000 1.181 696 A CA 1.795 53.751 52.037 -0.136 0.000 0.620 696 A CB -0.975 17.948 19.000 -0.128 0.000 0.819 696 A HN 0.545 nan 8.150 nan 0.000 0.442 697 D N -0.583 119.727 120.400 -0.149 0.000 2.123 697 D HA -0.126 4.514 4.640 0.001 0.000 0.196 697 D C 1.822 178.040 176.300 -0.137 0.000 0.992 697 D CA 1.554 55.475 54.000 -0.133 0.000 0.833 697 D CB -0.043 40.701 40.800 -0.093 0.000 0.954 697 D HN 0.146 nan 8.370 nan 0.000 0.455 698 V N 0.304 120.091 119.914 -0.211 0.000 2.307 698 V HA -0.185 3.936 4.120 0.001 0.000 0.245 698 V C 2.456 178.496 176.094 -0.090 0.000 1.045 698 V CA 1.338 63.536 62.300 -0.169 0.000 1.024 698 V CB -0.549 31.113 31.823 -0.269 0.000 0.651 698 V HN 0.269 nan 8.190 nan 0.000 0.449 699 L N -0.121 121.034 121.223 -0.113 0.000 2.017 699 L HA -0.125 4.215 4.340 0.001 0.000 0.208 699 L C 2.339 179.177 176.870 -0.054 0.000 1.073 699 L CA 1.890 56.676 54.840 -0.090 0.000 0.745 699 L CB -0.468 41.488 42.059 -0.172 0.000 0.894 699 L HN 0.122 nan 8.230 nan 0.000 0.432 700 V N -0.472 119.393 119.914 -0.080 0.000 2.307 700 V HA -0.251 3.869 4.120 0.001 0.000 0.245 700 V C 2.707 178.796 176.094 -0.008 0.000 1.045 700 V CA 1.735 64.003 62.300 -0.054 0.000 1.024 700 V CB -0.891 30.868 31.823 -0.108 0.000 0.651 700 V HN 0.732 nan 8.190 nan 0.000 0.449 701 S N 0.275 115.961 115.700 -0.023 0.000 2.382 701 S HA -0.301 4.169 4.470 0.001 0.000 0.228 701 S C 2.002 176.663 174.600 0.102 0.000 1.027 701 S CA 1.868 60.067 58.200 -0.002 0.000 0.991 701 S CB -0.469 62.767 63.200 0.061 0.000 0.823 701 S HN 0.633 nan 8.310 nan 0.000 0.469 702 K N 1.217 121.687 120.400 0.117 0.000 2.026 702 K HA -0.188 4.132 4.320 0.001 0.000 0.208 702 K C 2.590 179.281 176.600 0.151 0.000 1.048 702 K CA 1.585 57.962 56.287 0.150 0.000 0.929 702 K CB -0.327 32.230 32.500 0.095 0.000 0.713 702 K HN 0.584 nan 8.250 nan 0.000 0.439 703 Q N -0.433 119.452 119.800 0.141 0.000 2.124 703 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 703 Q C 1.952 178.028 176.000 0.127 0.000 0.977 703 Q CA 1.527 57.424 55.803 0.157 0.000 0.850 703 Q CB -0.185 28.671 28.738 0.197 0.000 0.901 703 Q HN 0.387 nan 8.270 nan 0.000 0.429 704 F N 0.403 120.323 119.950 -0.049 0.000 2.102 704 F HA -0.204 4.324 4.527 0.001 0.000 0.298 704 F C 1.692 177.445 175.800 -0.079 0.000 1.105 704 F CA 2.233 60.168 58.000 -0.108 0.000 1.239 704 F CB -0.180 38.666 39.000 -0.257 0.000 0.991 704 F HN 0.217 nan 8.300 nan 0.000 0.474 705 H N -0.972 118.185 119.070 0.146 0.000 2.436 705 H HA -0.003 4.554 4.556 0.001 0.000 0.294 705 H C 1.709 177.027 175.328 -0.017 0.000 1.048 705 H CA 1.297 57.369 56.048 0.039 0.000 1.353 705 H CB 0.014 29.851 29.762 0.126 0.000 1.414 705 H HN 0.385 nan 8.280 nan 0.000 0.536 706 E N 0.751 121.024 120.200 0.123 0.000 2.447 706 E HA 0.166 4.517 4.350 0.001 0.000 0.195 706 E C 0.648 177.273 176.600 0.042 0.000 1.028 706 E CA -0.063 56.386 56.400 0.081 0.000 0.876 706 E CB 0.479 30.238 29.700 0.099 0.000 0.885 706 E HN 0.315 nan 8.360 nan 0.000 0.500 707 A N 3.054 125.873 122.820 -0.002 0.000 2.565 707 A HA -0.039 4.282 4.320 0.001 0.000 0.237 707 A C 0.639 178.184 177.584 -0.065 0.000 1.053 707 A CA 0.100 52.116 52.037 -0.035 0.000 0.755 707 A CB -0.010 18.937 19.000 -0.087 0.000 0.980 707 A HN 0.295 nan 8.150 nan 0.000 0.506 708 N N 0.596 119.254 118.700 -0.070 0.000 2.275 708 N HA 0.144 4.885 4.740 0.001 0.000 0.236 708 N C -0.725 174.664 175.510 -0.202 0.000 1.154 708 N CA -0.028 52.968 53.050 -0.091 0.000 0.866 708 N CB -0.341 38.122 38.487 -0.040 0.000 1.093 708 N HN 0.776 nan 8.380 nan 0.000 0.515 709 N N -2.540 115.997 118.700 -0.272 0.000 2.935 709 N HA 0.150 4.890 4.740 0.001 0.000 0.248 709 N C 0.055 175.381 175.510 -0.307 0.000 1.276 709 N CA -0.843 51.915 53.050 -0.487 0.000 0.906 709 N CB 0.737 38.553 38.487 -1.117 0.000 1.564 709 N HN -0.173 nan 8.380 nan 0.000 0.500 710 M N 0.490 119.923 119.600 -0.278 0.000 2.296 710 M HA 0.072 4.553 4.480 0.001 0.000 0.265 710 M C 0.979 177.224 176.300 -0.092 0.000 1.064 710 M CA 1.851 57.057 55.300 -0.157 0.000 1.109 710 M CB -0.827 31.666 32.600 -0.177 0.000 1.396 710 M HN 0.785 nan 8.290 nan 0.000 0.430 711 T N 0.703 115.192 114.554 -0.109 0.000 2.674 711 T HA -0.140 4.211 4.350 0.001 0.000 0.265 711 T C 1.376 176.079 174.700 0.006 0.000 1.039 711 T CA 1.826 63.916 62.100 -0.017 0.000 1.150 711 T CB -0.440 68.453 68.868 0.042 0.000 0.864 711 T HN 0.412 nan 8.240 nan 0.000 0.427 712 D N 1.065 121.457 120.400 -0.014 0.000 2.183 712 D HA 0.078 4.718 4.640 0.001 0.000 0.203 712 D C 2.326 178.654 176.300 0.046 0.000 0.969 712 D CA 0.985 55.002 54.000 0.028 0.000 0.842 712 D CB -0.386 40.427 40.800 0.021 0.000 0.957 712 D HN 0.395 nan 8.370 nan 0.000 0.484 713 A N 0.882 123.703 122.820 0.001 0.000 1.873 713 A HA -0.120 4.200 4.320 0.001 0.000 0.215 713 A C 2.144 179.853 177.584 0.209 0.000 1.186 713 A CA 0.878 52.928 52.037 0.022 0.000 0.616 713 A CB -0.693 18.236 19.000 -0.118 0.000 0.823 713 A HN 0.222 nan 8.150 nan 0.000 0.442 714 L N -0.300 121.008 121.223 0.142 0.000 2.093 714 L HA -0.000 4.340 4.340 0.001 0.000 0.208 714 L C 2.644 179.562 176.870 0.080 0.000 1.085 714 L CA 1.927 56.843 54.840 0.127 0.000 0.755 714 L CB -0.692 41.407 42.059 0.068 0.000 0.904 714 L HN 0.347 nan 8.230 nan 0.000 0.435 715 A N -0.544 122.320 122.820 0.073 0.000 1.902 715 A HA -0.115 4.205 4.320 0.001 0.000 0.217 715 A C 2.443 180.059 177.584 0.055 0.000 1.181 715 A CA 1.782 53.852 52.037 0.055 0.000 0.623 715 A CB -1.068 17.973 19.000 0.069 0.000 0.818 715 A HN 0.541 nan 8.150 nan 0.000 0.443 716 A N -0.659 122.224 122.820 0.106 0.000 1.873 716 A HA 0.021 4.341 4.320 0.001 0.000 0.215 716 A C 2.119 179.719 177.584 0.026 0.000 1.186 716 A CA 1.632 53.726 52.037 0.094 0.000 0.616 716 A CB -0.629 18.487 19.000 0.193 0.000 0.823 716 A HN 0.619 nan 8.150 nan 0.000 0.442 717 L N 0.180 121.452 121.223 0.082 0.000 2.046 717 L HA -0.118 4.223 4.340 0.001 0.000 0.208 717 L C 2.523 179.318 176.870 -0.125 0.000 1.077 717 L CA 2.527 57.316 54.840 -0.085 0.000 0.747 717 L CB -0.610 41.438 42.059 -0.018 0.000 0.896 717 L HN 0.307 nan 8.230 nan 0.000 0.432 718 S N -0.310 115.343 115.700 -0.078 0.000 2.382 718 S HA -0.141 4.329 4.470 0.001 0.000 0.228 718 S C 2.080 176.615 174.600 -0.108 0.000 1.027 718 S CA 1.059 59.202 58.200 -0.095 0.000 0.991 718 S CB -0.581 62.584 63.200 -0.059 0.000 0.823 718 S HN 0.658 nan 8.310 nan 0.000 0.469 719 A N 1.548 124.305 122.820 -0.104 0.000 1.930 719 A HA 0.188 4.508 4.320 0.001 0.000 0.217 719 A C 2.354 179.810 177.584 -0.213 0.000 1.175 719 A CA 1.541 53.488 52.037 -0.151 0.000 0.627 719 A CB -1.018 17.904 19.000 -0.131 0.000 0.815 719 A HN 0.503 nan 8.150 nan 0.000 0.443 720 A N -0.542 122.164 122.820 -0.190 0.000 1.902 720 A HA -0.002 4.319 4.320 0.001 0.000 0.217 720 A C 2.218 179.682 177.584 -0.199 0.000 1.181 720 A CA 1.848 53.761 52.037 -0.207 0.000 0.623 720 A CB -0.813 18.058 19.000 -0.215 0.000 0.818 720 A HN 0.372 nan 8.150 nan 0.000 0.443 721 V N -0.350 119.453 119.914 -0.185 0.000 2.379 721 V HA -0.168 3.953 4.120 0.001 0.000 0.245 721 V C 3.045 179.060 176.094 -0.131 0.000 1.044 721 V CA 1.729 63.931 62.300 -0.165 0.000 1.036 721 V CB -1.174 30.543 31.823 -0.178 0.000 0.664 721 V HN 0.600 nan 8.190 nan 0.000 0.453 722 A N 0.050 122.796 122.820 -0.122 0.000 1.908 722 A HA -0.073 4.247 4.320 0.001 0.000 0.218 722 A C 2.158 179.704 177.584 -0.062 0.000 1.181 722 A CA 2.086 54.095 52.037 -0.047 0.000 0.627 722 A CB -0.562 18.435 19.000 -0.003 0.000 0.818 722 A HN 0.610 nan 8.150 nan 0.000 0.445 723 A N -1.726 120.880 122.820 -0.357 0.000 2.308 723 A HA 0.343 4.664 4.320 0.001 0.000 0.217 723 A C 0.710 178.141 177.584 -0.254 0.000 1.216 723 A CA 0.541 52.222 52.037 -0.594 0.000 0.864 723 A CB -0.401 17.918 19.000 -1.136 0.000 0.902 723 A HN 0.556 nan 8.150 nan 0.000 0.499 724 Q N -0.359 119.342 119.800 -0.164 0.000 2.435 724 Q HA -0.181 4.160 4.340 0.001 0.000 0.312 724 Q C -0.652 175.277 176.000 -0.119 0.000 1.333 724 Q CA 0.362 56.098 55.803 -0.111 0.000 0.883 724 Q CB -1.763 26.941 28.738 -0.057 0.000 1.170 724 Q HN 0.680 nan 8.270 nan 0.000 0.443 725 L N -0.448 120.682 121.223 -0.156 0.000 2.464 725 L HA 0.065 4.405 4.340 0.001 0.000 0.264 725 L C -0.888 175.926 176.870 -0.094 0.000 1.199 725 L CA -1.621 53.138 54.840 -0.134 0.000 0.818 725 L CB 0.066 42.026 42.059 -0.164 0.000 1.102 725 L HN -0.016 nan 8.230 nan 0.000 0.473 726 P HA -0.183 nan 4.420 nan 0.000 0.216 726 P C 1.490 178.763 177.300 -0.045 0.000 1.153 726 P CA 1.318 64.394 63.100 -0.040 0.000 0.858 726 P CB -0.023 31.669 31.700 -0.012 0.000 0.789 727 C N -1.346 117.918 119.300 -0.060 0.000 2.491 727 C HA 0.166 4.626 4.460 0.001 0.000 0.277 727 C C 2.491 177.416 174.990 -0.109 0.000 1.455 727 C CA -0.474 58.505 59.018 -0.065 0.000 1.758 727 C CB -1.912 25.786 27.740 -0.069 0.000 1.745 727 C HN 0.132 nan 8.230 nan 0.000 0.558 728 R N 1.628 122.054 120.500 -0.122 0.000 2.115 728 R HA -0.202 4.139 4.340 0.001 0.000 0.239 728 R C 1.768 177.996 176.300 -0.119 0.000 1.133 728 R CA 2.700 58.712 56.100 -0.147 0.000 0.935 728 R CB -0.587 29.631 30.300 -0.137 0.000 0.853 728 R HN 0.494 nan 8.270 nan 0.000 0.433 729 D N -0.062 120.294 120.400 -0.073 0.000 2.149 729 D HA -0.148 4.492 4.640 0.001 0.000 0.198 729 D C 1.732 178.030 176.300 -0.003 0.000 0.990 729 D CA 1.539 55.520 54.000 -0.032 0.000 0.839 729 D CB -0.326 40.465 40.800 -0.016 0.000 0.948 729 D HN 0.447 nan 8.370 nan 0.000 0.460 730 A N 0.753 123.565 122.820 -0.014 0.000 1.873 730 A HA -0.106 4.214 4.320 0.001 0.000 0.215 730 A C 2.413 179.998 177.584 0.002 0.000 1.186 730 A CA 0.877 52.925 52.037 0.018 0.000 0.616 730 A CB -0.744 18.276 19.000 0.033 0.000 0.823 730 A HN 0.197 nan 8.150 nan 0.000 0.442 731 L N -1.092 120.049 121.223 -0.136 0.000 2.046 731 L HA -0.196 4.144 4.340 0.001 0.000 0.208 731 L C 2.800 179.579 176.870 -0.152 0.000 1.077 731 L CA 1.097 55.706 54.840 -0.385 0.000 0.747 731 L CB -0.631 40.943 42.059 -0.809 0.000 0.896 731 L HN 0.339 nan 8.230 nan 0.000 0.432 732 M N -0.510 119.071 119.600 -0.031 0.000 2.159 732 M HA -0.210 4.271 4.480 0.001 0.000 0.263 732 M C 2.272 178.841 176.300 0.448 0.000 1.063 732 M CA 1.614 57.055 55.300 0.234 0.000 1.110 732 M CB -0.907 31.742 32.600 0.082 0.000 1.374 732 M HN 0.230 nan 8.290 nan 0.000 0.411 733 Q N 0.778 120.732 119.800 0.257 0.000 2.123 733 Q HA -0.102 4.239 4.340 0.001 0.000 0.199 733 Q C 1.682 177.801 176.000 0.198 0.000 0.966 733 Q CA 1.619 57.558 55.803 0.228 0.000 0.845 733 Q CB -0.062 28.763 28.738 0.145 0.000 0.907 733 Q HN 0.536 nan 8.270 nan 0.000 0.439 734 E N -1.217 119.111 120.200 0.214 0.000 2.110 734 E HA -0.207 4.144 4.350 0.001 0.000 0.193 734 E C 1.601 178.378 176.600 0.294 0.000 0.988 734 E CA 1.137 57.681 56.400 0.241 0.000 0.804 734 E CB -0.232 29.670 29.700 0.337 0.000 0.745 734 E HN 0.460 nan 8.360 nan 0.000 0.458 735 Y N 1.670 122.135 120.300 0.276 0.000 2.163 735 Y HA -0.252 4.298 4.550 0.001 0.000 0.288 735 Y C 2.198 178.138 175.900 0.068 0.000 1.136 735 Y CA 1.783 60.080 58.100 0.328 0.000 1.147 735 Y CB 0.050 38.765 38.460 0.425 0.000 0.987 735 Y HN -0.003 nan 8.280 nan 0.000 0.509 736 D N 0.182 120.639 120.400 0.095 0.000 2.092 736 D HA -0.212 4.429 4.640 0.001 0.000 0.193 736 D C 1.602 177.898 176.300 -0.006 0.000 0.994 736 D CA 1.935 55.804 54.000 -0.219 0.000 0.828 736 D CB -0.352 40.300 40.800 -0.246 0.000 0.963 736 D HN 0.394 nan 8.370 nan 0.000 0.450 737 D N -0.041 120.382 120.400 0.039 0.000 2.149 737 D HA -0.162 4.479 4.640 0.001 0.000 0.198 737 D C 1.937 178.236 176.300 -0.001 0.000 0.990 737 D CA 0.836 54.874 54.000 0.064 0.000 0.839 737 D CB -0.151 40.665 40.800 0.026 0.000 0.948 737 D HN 0.376 nan 8.370 nan 0.000 0.460 738 K N -0.890 119.397 120.400 -0.189 0.000 2.186 738 K HA -0.066 4.254 4.320 0.001 0.000 0.202 738 K C 1.126 177.234 176.600 -0.819 0.000 1.052 738 K CA 0.538 56.489 56.287 -0.560 0.000 0.965 738 K CB 0.129 32.175 32.500 -0.758 0.000 0.746 738 K HN 0.138 nan 8.250 nan 0.000 0.457 739 W N 0.126 121.237 121.300 -0.315 0.000 2.870 739 W HA 0.135 4.795 4.660 0.001 0.000 0.358 739 W C 1.272 177.603 176.519 -0.314 0.000 1.043 739 W CA -0.194 56.925 57.345 -0.376 0.000 1.692 739 W CB 0.203 29.335 29.460 -0.546 0.000 1.100 739 W HN 0.284 nan 8.180 nan 0.000 0.557 740 H N 0.535 119.586 119.070 -0.032 0.000 2.466 740 H HA -0.270 4.286 4.556 0.001 0.000 0.297 740 H C 1.956 177.310 175.328 0.043 0.000 1.113 740 H CA 1.994 58.034 56.048 -0.014 0.000 1.273 740 H CB -0.480 29.271 29.762 -0.018 0.000 1.371 740 H HN 0.152 nan 8.280 nan 0.000 0.528 741 Q N 0.539 120.090 119.800 -0.415 0.000 2.451 741 Q HA -0.037 4.303 4.340 0.001 0.000 0.206 741 Q C -0.130 175.854 176.000 -0.027 0.000 0.947 741 Q CA 0.494 56.192 55.803 -0.175 0.000 0.937 741 Q CB -0.091 28.478 28.738 -0.281 0.000 1.025 741 Q HN 0.510 nan 8.270 nan 0.000 0.511 742 N N 0.900 119.610 118.700 0.017 0.000 2.558 742 N HA 0.210 4.951 4.740 0.001 0.000 0.242 742 N C 0.592 176.123 175.510 0.035 0.000 0.979 742 N CA 0.327 53.404 53.050 0.044 0.000 0.931 742 N CB 1.220 39.769 38.487 0.103 0.000 1.122 742 N HN 0.195 nan 8.380 nan 0.000 0.508 743 G N 3.348 112.170 108.800 0.037 0.000 2.476 743 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 743 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 743 G C 1.493 176.418 174.900 0.041 0.000 1.164 743 G CA 0.618 45.755 45.100 0.061 0.000 0.768 743 G HN 0.593 nan 8.290 nan 0.000 0.560 744 L N 0.150 121.358 121.223 -0.025 0.000 2.079 744 L HA -0.110 4.230 4.340 0.001 0.000 0.210 744 L C 2.977 179.808 176.870 -0.065 0.000 1.081 744 L CA 0.570 55.375 54.840 -0.059 0.000 0.752 744 L CB -0.465 41.529 42.059 -0.108 0.000 0.896 744 L HN 0.124 nan 8.230 nan 0.000 0.433 745 V N -0.955 118.891 119.914 -0.113 0.000 2.453 745 V HA -0.223 3.898 4.120 0.001 0.000 0.247 745 V C 2.457 178.568 176.094 0.028 0.000 1.048 745 V CA 1.212 63.397 62.300 -0.191 0.000 1.049 745 V CB -0.329 31.174 31.823 -0.534 0.000 0.672 745 V HN 0.367 nan 8.190 nan 0.000 0.457 746 M N -0.379 119.252 119.600 0.051 0.000 2.374 746 M HA -0.098 4.383 4.480 0.001 0.000 0.264 746 M C 1.783 178.141 176.300 0.096 0.000 1.067 746 M CA 1.142 56.463 55.300 0.035 0.000 1.103 746 M CB -1.215 31.330 32.600 -0.091 0.000 1.402 746 M HN 0.342 nan 8.290 nan 0.000 0.444 747 D N 0.599 121.126 120.400 0.212 0.000 2.144 747 D HA -0.136 4.505 4.640 0.001 0.000 0.199 747 D C 1.934 178.360 176.300 0.211 0.000 0.984 747 D CA 0.948 55.132 54.000 0.307 0.000 0.834 747 D CB 0.017 40.920 40.800 0.172 0.000 0.955 747 D HN 0.218 nan 8.370 nan 0.000 0.465 748 K N -0.168 120.308 120.400 0.125 0.000 2.097 748 K HA -0.148 4.173 4.320 0.001 0.000 0.206 748 K C 2.038 178.650 176.600 0.021 0.000 1.049 748 K CA 0.435 56.759 56.287 0.061 0.000 0.933 748 K CB -0.705 31.822 32.500 0.045 0.000 0.717 748 K HN 0.324 nan 8.250 nan 0.000 0.442 749 W N 0.866 122.026 121.300 -0.234 0.000 2.381 749 W HA -0.147 4.514 4.660 0.001 0.000 0.301 749 W C 1.737 178.110 176.519 -0.244 0.000 1.205 749 W CA 1.197 58.310 57.345 -0.387 0.000 1.285 749 W CB -0.274 28.932 29.460 -0.424 0.000 1.133 749 W HN -0.087 nan 8.180 nan 0.000 0.521 750 F N 0.317 120.396 119.950 0.215 0.000 2.171 750 F HA -0.171 4.356 4.527 0.001 0.000 0.300 750 F C 2.227 177.998 175.800 -0.047 0.000 1.090 750 F CA 1.445 59.483 58.000 0.062 0.000 1.293 750 F CB -1.263 37.836 39.000 0.165 0.000 1.013 750 F HN -0.167 nan 8.300 nan 0.000 0.486 751 I N -0.523 120.146 120.570 0.165 0.000 2.226 751 I HA -0.310 3.860 4.170 0.001 0.000 0.245 751 I C 2.319 178.420 176.117 -0.026 0.000 1.100 751 I CA 1.178 62.519 61.300 0.068 0.000 1.374 751 I CB -0.493 37.538 38.000 0.053 0.000 1.057 751 I HN 0.111 nan 8.210 nan 0.000 0.413 752 L N -0.138 121.016 121.223 -0.115 0.000 2.093 752 L HA -0.210 4.130 4.340 0.001 0.000 0.208 752 L C 2.751 179.480 176.870 -0.234 0.000 1.085 752 L CA 1.128 55.852 54.840 -0.193 0.000 0.755 752 L CB -0.584 41.300 42.059 -0.291 0.000 0.904 752 L HN 0.326 nan 8.230 nan 0.000 0.435 753 Q N -0.195 119.412 119.800 -0.321 0.000 2.079 753 Q HA -0.149 4.191 4.340 0.001 0.000 0.200 753 Q C 2.410 178.332 176.000 -0.129 0.000 0.974 753 Q CA 1.721 57.334 55.803 -0.318 0.000 0.840 753 Q CB -0.305 28.176 28.738 -0.427 0.000 0.898 753 Q HN 0.523 nan 8.270 nan 0.000 0.430 754 A N 0.999 123.798 122.820 -0.035 0.000 2.015 754 A HA -0.098 4.222 4.320 0.001 0.000 0.219 754 A C 1.991 179.643 177.584 0.114 0.000 1.163 754 A CA 1.821 53.915 52.037 0.094 0.000 0.646 754 A CB -0.415 18.670 19.000 0.141 0.000 0.806 754 A HN 0.468 nan 8.150 nan 0.000 0.448 755 T N -2.914 111.651 114.554 0.018 0.000 3.186 755 T HA 0.313 4.663 4.350 0.001 0.000 0.257 755 T C 0.596 175.281 174.700 -0.025 0.000 1.029 755 T CA 0.435 62.532 62.100 -0.004 0.000 0.916 755 T CB -0.368 68.489 68.868 -0.019 0.000 1.041 755 T HN 0.234 nan 8.240 nan 0.000 0.562 756 S N 3.049 118.727 115.700 -0.038 0.000 2.562 756 S HA 0.234 4.705 4.470 0.001 0.000 0.281 756 S C -1.143 173.442 174.600 -0.025 0.000 1.333 756 S CA -1.159 57.008 58.200 -0.056 0.000 1.052 756 S CB 0.897 64.041 63.200 -0.093 0.000 0.884 756 S HN 0.251 nan 8.310 nan 0.000 0.506 757 P HA 0.190 nan 4.420 nan 0.000 0.249 757 P C 0.136 177.431 177.300 -0.007 0.000 1.229 757 P CA 0.039 63.137 63.100 -0.004 0.000 0.788 757 P CB -0.259 31.452 31.700 0.018 0.000 1.072 758 A N 0.727 123.533 122.820 -0.024 0.000 2.531 758 A HA 0.330 4.651 4.320 0.001 0.000 0.236 758 A C 1.812 179.383 177.584 -0.020 0.000 1.062 758 A CA 0.465 52.485 52.037 -0.029 0.000 0.760 758 A CB 0.027 18.996 19.000 -0.051 0.000 0.995 758 A HN 0.189 nan 8.150 nan 0.000 0.501 759 A N 2.055 124.863 122.820 -0.019 0.000 1.972 759 A HA -0.136 4.184 4.320 0.001 0.000 0.219 759 A C 1.498 179.067 177.584 -0.026 0.000 1.169 759 A CA 1.625 53.652 52.037 -0.017 0.000 0.635 759 A CB -0.495 18.496 19.000 -0.016 0.000 0.810 759 A HN 1.029 nan 8.150 nan 0.000 0.446 760 N N 0.343 119.019 118.700 -0.039 0.000 2.327 760 N HA 0.027 4.768 4.740 0.001 0.000 0.231 760 N C 0.936 176.400 175.510 -0.078 0.000 1.130 760 N CA 0.556 53.571 53.050 -0.057 0.000 0.845 760 N CB -0.074 38.378 38.487 -0.058 0.000 1.073 760 N HN 0.161 nan 8.380 nan 0.000 0.496 761 V N 0.532 120.414 119.914 -0.053 0.000 2.282 761 V HA -0.236 3.885 4.120 0.001 0.000 0.249 761 V C 2.141 178.144 176.094 -0.151 0.000 1.057 761 V CA 1.505 63.771 62.300 -0.057 0.000 1.032 761 V CB -0.422 31.425 31.823 0.041 0.000 0.645 761 V HN 0.368 nan 8.190 nan 0.000 0.447 762 L N 0.683 121.805 121.223 -0.169 0.000 2.046 762 L HA -0.170 4.171 4.340 0.001 0.000 0.208 762 L C 2.483 179.082 176.870 -0.450 0.000 1.077 762 L CA 2.756 57.321 54.840 -0.459 0.000 0.747 762 L CB -1.057 40.800 42.059 -0.337 0.000 0.896 762 L HN 0.623 nan 8.230 nan 0.000 0.432 763 E N -1.323 118.719 120.200 -0.264 0.000 2.085 763 E HA -0.237 4.114 4.350 0.001 0.000 0.194 763 E C 1.819 178.295 176.600 -0.206 0.000 0.994 763 E CA 1.887 58.161 56.400 -0.209 0.000 0.801 763 E CB -0.096 29.527 29.700 -0.128 0.000 0.743 763 E HN 0.586 nan 8.360 nan 0.000 0.453 764 T N 0.357 114.795 114.554 -0.192 0.000 2.737 764 T HA -0.111 4.240 4.350 0.001 0.000 0.265 764 T C 1.937 176.514 174.700 -0.205 0.000 1.038 764 T CA 1.262 63.267 62.100 -0.159 0.000 1.144 764 T CB -0.187 68.594 68.868 -0.145 0.000 0.866 764 T HN 0.032 nan 8.240 nan 0.000 0.434 765 V N 1.488 121.205 119.914 -0.328 0.000 2.295 765 V HA -0.197 3.924 4.120 0.001 0.000 0.246 765 V C 2.654 178.495 176.094 -0.422 0.000 1.049 765 V CA 1.675 63.729 62.300 -0.411 0.000 1.024 765 V CB -0.567 30.846 31.823 -0.683 0.000 0.648 765 V HN 0.374 nan 8.190 nan 0.000 0.447 766 R N 0.013 120.203 120.500 -0.516 0.000 2.091 766 R HA -0.143 4.198 4.340 0.001 0.000 0.238 766 R C 2.460 178.669 176.300 -0.153 0.000 1.136 766 R CA 1.590 57.491 56.100 -0.332 0.000 0.959 766 R CB -0.878 29.237 30.300 -0.308 0.000 0.856 766 R HN 0.606 nan 8.270 nan 0.000 0.437 767 G N 0.840 109.563 108.800 -0.129 0.000 2.432 767 G HA2 -0.206 3.754 3.960 0.001 0.000 0.219 767 G HA3 -0.206 3.754 3.960 0.001 0.000 0.219 767 G C 1.342 176.252 174.900 0.016 0.000 1.135 767 G CA 0.336 45.413 45.100 -0.038 0.000 0.767 767 G HN 0.171 nan 8.290 nan 0.000 0.550 768 L N 0.273 121.492 121.223 -0.007 0.000 2.549 768 L HA 0.121 4.461 4.340 0.001 0.000 0.229 768 L C 2.424 179.241 176.870 -0.087 0.000 1.158 768 L CA -0.068 54.829 54.840 0.096 0.000 0.842 768 L CB -0.197 41.936 42.059 0.125 0.000 0.952 768 L HN 0.206 nan 8.230 nan 0.000 0.452 769 L N -0.571 120.529 121.223 -0.206 0.000 2.362 769 L HA -0.150 4.190 4.340 0.001 0.000 0.219 769 L C 1.944 178.884 176.870 0.117 0.000 1.134 769 L CA 0.648 55.328 54.840 -0.267 0.000 0.807 769 L CB -0.213 41.783 42.059 -0.104 0.000 0.927 769 L HN 0.381 nan 8.230 nan 0.000 0.447 770 Q N -1.780 118.099 119.800 0.132 0.000 2.247 770 Q HA 0.107 4.447 4.340 0.001 0.000 0.204 770 Q C 0.374 176.505 176.000 0.218 0.000 0.872 770 Q CA 0.065 55.969 55.803 0.168 0.000 0.951 770 Q CB -0.052 28.745 28.738 0.099 0.000 1.099 770 Q HN 0.382 nan 8.270 nan 0.000 0.501 771 H N 2.161 121.368 119.070 0.229 0.000 2.815 771 H HA 0.016 4.572 4.556 0.001 0.000 0.350 771 H C 1.287 176.787 175.328 0.286 0.000 1.080 771 H CA 0.560 56.781 56.048 0.288 0.000 1.433 771 H CB 0.843 30.891 29.762 0.476 0.000 1.432 771 H HN 0.172 nan 8.280 nan 0.000 0.592 772 R N 1.884 122.344 120.500 -0.067 0.000 2.170 772 R HA -0.090 4.251 4.340 0.001 0.000 0.242 772 R C 1.206 177.704 176.300 0.329 0.000 1.145 772 R CA 1.752 57.898 56.100 0.077 0.000 0.984 772 R CB -0.133 30.102 30.300 -0.109 0.000 0.869 772 R HN 0.241 nan 8.270 nan 0.000 0.455 773 S N -0.312 115.817 115.700 0.715 0.000 2.575 773 S HA 0.137 4.607 4.470 0.001 0.000 0.215 773 S C -0.266 174.703 174.600 0.615 0.000 0.966 773 S CA -0.370 58.188 58.200 0.596 0.000 0.911 773 S CB -0.035 63.468 63.200 0.504 0.000 0.780 773 S HN 0.273 nan 8.310 nan 0.000 0.514 774 F N 1.950 122.163 119.950 0.439 0.000 2.458 774 F HA 0.637 5.165 4.527 0.001 0.000 0.330 774 F C -0.034 175.824 175.800 0.097 0.000 1.082 774 F CA -0.175 57.902 58.000 0.129 0.000 0.995 774 F CB 1.799 40.766 39.000 -0.054 0.000 1.170 774 F HN -0.156 nan 8.300 nan 0.000 0.478 775 T N 6.545 120.438 114.554 -1.101 0.000 3.193 775 T HA 0.211 4.561 4.350 0.001 0.000 0.332 775 T C 0.379 174.581 174.700 -0.830 0.000 1.208 775 T CA -0.726 60.994 62.100 -0.634 0.000 1.080 775 T CB 0.929 69.685 68.868 -0.186 0.000 1.180 775 T HN 0.654 nan 8.240 nan 0.000 0.469 776 M N 2.856 122.225 119.600 -0.385 0.000 2.549 776 M HA 0.027 4.508 4.480 0.001 0.000 0.260 776 M C 2.190 178.434 176.300 -0.094 0.000 1.076 776 M CA 1.039 56.239 55.300 -0.168 0.000 1.090 776 M CB -1.114 31.502 32.600 0.027 0.000 1.418 776 M HN 0.789 nan 8.290 nan 0.000 0.486 777 S N -0.760 114.909 115.700 -0.052 0.000 2.562 777 S HA 0.028 4.499 4.470 0.001 0.000 0.221 777 S C 0.746 175.489 174.600 0.239 0.000 0.975 777 S CA -0.199 58.046 58.200 0.074 0.000 0.918 777 S CB -0.132 63.127 63.200 0.098 0.000 0.772 777 S HN 0.441 nan 8.310 nan 0.000 0.531 778 N N 1.790 120.528 118.700 0.062 0.000 2.446 778 N HA 0.352 5.093 4.740 0.001 0.000 0.265 778 N C -2.549 172.900 175.510 -0.102 0.000 0.975 778 N CA -1.978 51.049 53.050 -0.039 0.000 0.928 778 N CB 2.069 40.381 38.487 -0.291 0.000 1.160 778 N HN -0.116 nan 8.380 nan 0.000 0.495 779 P HA -0.077 nan 4.420 nan 0.000 0.216 779 P C 0.634 177.905 177.300 -0.048 0.000 1.150 779 P CA 1.280 64.354 63.100 -0.043 0.000 0.843 779 P CB 0.462 32.145 31.700 -0.029 0.000 0.787 780 N N -1.184 117.473 118.700 -0.071 0.000 2.120 780 N HA -0.119 4.622 4.740 0.001 0.000 0.188 780 N C 1.712 177.212 175.510 -0.018 0.000 1.024 780 N CA 1.040 54.062 53.050 -0.046 0.000 0.852 780 N CB -0.490 37.952 38.487 -0.075 0.000 1.003 780 N HN 0.011 nan 8.380 nan 0.000 0.424 781 R N 0.698 121.152 120.500 -0.078 0.000 2.073 781 R HA 0.035 4.376 4.340 0.001 0.000 0.234 781 R C 2.257 178.590 176.300 0.054 0.000 1.134 781 R CA 0.686 56.739 56.100 -0.077 0.000 0.952 781 R CB -1.055 29.009 30.300 -0.393 0.000 0.850 781 R HN 0.357 nan 8.270 nan 0.000 0.433 782 I N 0.760 121.333 120.570 0.004 0.000 2.163 782 I HA -0.299 3.871 4.170 0.001 0.000 0.243 782 I C 2.500 178.678 176.117 0.102 0.000 1.085 782 I CA 1.550 62.925 61.300 0.124 0.000 1.347 782 I CB -0.270 37.750 38.000 0.033 0.000 1.044 782 I HN 0.129 nan 8.210 nan 0.000 0.408 783 R N 0.107 120.637 120.500 0.050 0.000 2.115 783 R HA -0.064 4.276 4.340 0.001 0.000 0.230 783 R C 2.395 178.736 176.300 0.068 0.000 1.111 783 R CA 1.447 57.572 56.100 0.043 0.000 0.976 783 R CB -0.311 30.001 30.300 0.020 0.000 0.870 783 R HN 0.266 nan 8.270 nan 0.000 0.445 784 S N 0.706 116.463 115.700 0.095 0.000 2.428 784 S HA -0.050 4.421 4.470 0.001 0.000 0.230 784 S C 1.566 176.259 174.600 0.155 0.000 1.014 784 S CA 0.695 58.980 58.200 0.142 0.000 0.957 784 S CB 0.038 63.371 63.200 0.222 0.000 0.784 784 S HN 0.146 nan 8.310 nan 0.000 0.499 785 L N 0.908 122.186 121.223 0.092 0.000 2.379 785 L HA 0.422 4.763 4.340 0.001 0.000 0.190 785 L C 1.752 178.669 176.870 0.078 0.000 1.111 785 L CA 1.138 55.987 54.840 0.015 0.000 0.820 785 L CB -0.551 41.329 42.059 -0.299 0.000 1.046 785 L HN 0.156 nan 8.230 nan 0.000 0.485 786 I N -0.092 120.534 120.570 0.093 0.000 2.233 786 I HA -0.109 4.061 4.170 0.001 0.000 0.243 786 I C 2.418 178.629 176.117 0.157 0.000 1.093 786 I CA 1.282 62.684 61.300 0.169 0.000 1.380 786 I CB -1.069 36.982 38.000 0.084 0.000 1.067 786 I HN 0.428 nan 8.210 nan 0.000 0.413 787 G N 0.625 109.473 108.800 0.080 0.000 2.418 787 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 787 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 787 G C 1.868 176.781 174.900 0.022 0.000 1.158 787 G CA 0.853 45.969 45.100 0.025 0.000 0.771 787 G HN 0.482 nan 8.290 nan 0.000 0.545 788 A N 0.265 123.124 122.820 0.065 0.000 1.933 788 A HA 0.086 4.407 4.320 0.001 0.000 0.218 788 A C 2.143 179.763 177.584 0.060 0.000 1.175 788 A CA 1.555 53.624 52.037 0.053 0.000 0.628 788 A CB -0.499 18.547 19.000 0.076 0.000 0.814 788 A HN 0.411 nan 8.150 nan 0.000 0.444 789 F N 0.980 120.921 119.950 -0.014 0.000 2.075 789 F HA -0.030 4.498 4.527 0.001 0.000 0.297 789 F C 2.513 178.285 175.800 -0.046 0.000 1.113 789 F CA 1.422 59.420 58.000 -0.004 0.000 1.218 789 F CB -0.569 38.460 39.000 0.049 0.000 0.984 789 F HN 0.228 nan 8.300 nan 0.000 0.472 790 A N -0.156 122.582 122.820 -0.137 0.000 1.898 790 A HA 0.030 4.350 4.320 0.001 0.000 0.216 790 A C 2.351 179.527 177.584 -0.680 0.000 1.181 790 A CA 1.667 53.293 52.037 -0.685 0.000 0.620 790 A CB -1.633 17.009 19.000 -0.597 0.000 0.819 790 A HN 0.540 nan 8.150 nan 0.000 0.442 791 G N -2.141 106.464 108.800 -0.326 0.000 2.656 791 G HA2 0.182 4.143 3.960 0.001 0.000 0.211 791 G HA3 0.182 4.143 3.960 0.001 0.000 0.211 791 G C 1.345 176.180 174.900 -0.108 0.000 1.137 791 G CA 0.972 45.951 45.100 -0.202 0.000 0.802 791 G HN 0.456 nan 8.290 nan 0.000 0.527 792 S N 0.123 115.764 115.700 -0.097 0.000 2.539 792 S HA 0.154 4.625 4.470 0.001 0.000 0.221 792 S C 0.696 175.258 174.600 -0.064 0.000 0.987 792 S CA -0.338 57.831 58.200 -0.052 0.000 0.929 792 S CB 0.256 63.442 63.200 -0.025 0.000 0.832 792 S HN 0.277 nan 8.310 nan 0.000 0.492 793 N N 1.862 120.481 118.700 -0.135 0.000 2.679 793 N HA 0.240 4.980 4.740 0.001 0.000 0.302 793 N C -2.234 173.179 175.510 -0.162 0.000 1.941 793 N CA -1.954 51.004 53.050 -0.153 0.000 0.875 793 N CB 0.870 39.229 38.487 -0.212 0.000 1.278 793 N HN 0.036 nan 8.380 nan 0.000 0.490 794 P HA -0.135 nan 4.420 nan 0.000 0.219 794 P C 1.101 178.505 177.300 0.174 0.000 1.146 794 P CA 0.876 64.087 63.100 0.185 0.000 0.808 794 P CB 0.362 32.246 31.700 0.307 0.000 0.779 795 A N 0.557 123.412 122.820 0.058 0.000 1.902 795 A HA -0.051 4.270 4.320 0.001 0.000 0.217 795 A C 2.477 180.049 177.584 -0.020 0.000 1.181 795 A CA 2.242 54.296 52.037 0.029 0.000 0.623 795 A CB -1.399 17.598 19.000 -0.005 0.000 0.818 795 A HN 0.267 nan 8.150 nan 0.000 0.443 796 A N -1.630 121.135 122.820 -0.092 0.000 1.903 796 A HA 0.159 4.479 4.320 0.001 0.000 0.213 796 A C 1.974 179.424 177.584 -0.224 0.000 1.185 796 A CA 1.214 53.184 52.037 -0.112 0.000 0.628 796 A CB -0.632 18.339 19.000 -0.049 0.000 0.830 796 A HN 0.626 nan 8.150 nan 0.000 0.446 797 F N 0.674 120.248 119.950 -0.626 0.000 2.171 797 F HA -0.152 4.375 4.527 0.001 0.000 0.300 797 F C 1.661 177.110 175.800 -0.585 0.000 1.090 797 F CA 1.575 59.176 58.000 -0.665 0.000 1.293 797 F CB -0.179 38.403 39.000 -0.697 0.000 1.013 797 F HN 0.357 nan 8.300 nan 0.000 0.486 798 H N 0.570 119.414 119.070 -0.377 0.000 2.605 798 H HA 0.439 4.995 4.556 0.001 0.000 0.308 798 H C 0.667 175.795 175.328 -0.334 0.000 1.080 798 H CA 0.227 56.017 56.048 -0.429 0.000 1.119 798 H CB -0.904 28.762 29.762 -0.159 0.000 1.479 798 H HN 0.186 nan 8.280 nan 0.000 0.537 799 A N 0.951 123.597 122.820 -0.289 0.000 2.565 799 A HA -0.056 4.265 4.320 0.001 0.000 0.237 799 A C 1.387 178.868 177.584 -0.172 0.000 1.053 799 A CA -0.079 51.855 52.037 -0.172 0.000 0.755 799 A CB 0.366 19.274 19.000 -0.153 0.000 0.980 799 A HN 0.508 nan 8.150 nan 0.000 0.506 800 E N 1.096 121.253 120.200 -0.073 0.000 2.171 800 E HA -0.253 4.098 4.350 0.001 0.000 0.197 800 E C 0.856 177.430 176.600 -0.043 0.000 0.997 800 E CA 1.518 57.898 56.400 -0.034 0.000 0.810 800 E CB -0.106 29.590 29.700 -0.007 0.000 0.738 800 E HN 0.922 nan 8.360 nan 0.000 0.467 801 D N -0.628 119.730 120.400 -0.070 0.000 2.363 801 D HA -0.016 4.625 4.640 0.001 0.000 0.220 801 D C 1.345 177.599 176.300 -0.076 0.000 0.994 801 D CA 0.817 54.784 54.000 -0.055 0.000 0.890 801 D CB -0.099 40.671 40.800 -0.050 0.000 0.906 801 D HN 0.219 nan 8.370 nan 0.000 0.530 802 G N 0.174 108.867 108.800 -0.179 0.000 2.162 802 G HA2 -0.382 3.578 3.960 0.001 0.000 0.260 802 G HA3 -0.382 3.578 3.960 0.001 0.000 0.260 802 G C 1.243 175.981 174.900 -0.270 0.000 0.976 802 G CA 1.056 46.004 45.100 -0.254 0.000 0.655 802 G HN 0.653 nan 8.290 nan 0.000 0.533 803 S N -0.373 115.202 115.700 -0.208 0.000 2.400 803 S HA 0.059 4.529 4.470 0.001 0.000 0.232 803 S C 2.489 177.041 174.600 -0.080 0.000 1.025 803 S CA 1.682 59.819 58.200 -0.106 0.000 0.993 803 S CB -0.732 62.420 63.200 -0.080 0.000 0.808 803 S HN 1.559 nan 8.310 nan 0.000 0.478 804 G N 0.583 109.232 108.800 -0.252 0.000 2.418 804 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 804 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 804 G C 1.191 176.082 174.900 -0.014 0.000 1.158 804 G CA 0.895 45.956 45.100 -0.065 0.000 0.771 804 G HN 0.602 nan 8.290 nan 0.000 0.545 805 Y N 0.752 120.928 120.300 -0.207 0.000 2.200 805 Y HA 0.087 4.637 4.550 0.001 0.000 0.290 805 Y C 2.752 178.684 175.900 0.053 0.000 1.137 805 Y CA 0.140 58.171 58.100 -0.115 0.000 1.163 805 Y CB -0.916 37.429 38.460 -0.192 0.000 0.988 805 Y HN 0.072 nan 8.280 nan 0.000 0.518 806 L N -1.569 119.761 121.223 0.178 0.000 2.046 806 L HA -0.222 4.118 4.340 0.001 0.000 0.208 806 L C 2.350 179.319 176.870 0.165 0.000 1.077 806 L CA 1.463 56.388 54.840 0.141 0.000 0.747 806 L CB -0.705 41.412 42.059 0.097 0.000 0.896 806 L HN 0.177 nan 8.230 nan 0.000 0.432 807 F N 0.770 120.753 119.950 0.056 0.000 2.102 807 F HA -0.248 4.279 4.527 0.001 0.000 0.298 807 F C 2.229 178.082 175.800 0.088 0.000 1.105 807 F CA 1.477 59.499 58.000 0.035 0.000 1.239 807 F CB -0.328 38.661 39.000 -0.017 0.000 0.991 807 F HN -0.090 nan 8.300 nan 0.000 0.474 808 L N -0.039 121.232 121.223 0.080 0.000 2.083 808 L HA -0.136 4.205 4.340 0.001 0.000 0.209 808 L C 2.257 179.095 176.870 -0.053 0.000 1.083 808 L CA 1.492 56.324 54.840 -0.013 0.000 0.752 808 L CB -0.940 41.307 42.059 0.313 0.000 0.899 808 L HN 0.076 nan 8.230 nan 0.000 0.433 809 V N -0.332 119.599 119.914 0.028 0.000 2.343 809 V HA -0.301 3.819 4.120 0.001 0.000 0.247 809 V C 2.482 178.551 176.094 -0.042 0.000 1.051 809 V CA 2.008 64.315 62.300 0.011 0.000 1.036 809 V CB -0.593 31.257 31.823 0.045 0.000 0.654 809 V HN 0.511 nan 8.190 nan 0.000 0.451 810 E N -0.551 119.604 120.200 -0.076 0.000 2.058 810 E HA -0.232 4.118 4.350 0.001 0.000 0.194 810 E C 2.308 178.822 176.600 -0.143 0.000 0.997 810 E CA 1.485 57.830 56.400 -0.091 0.000 0.801 810 E CB -0.202 29.448 29.700 -0.083 0.000 0.746 810 E HN 0.400 nan 8.360 nan 0.000 0.450 811 M N 0.237 119.672 119.600 -0.275 0.000 2.117 811 M HA -0.114 4.367 4.480 0.001 0.000 0.262 811 M C 2.361 178.586 176.300 -0.125 0.000 1.065 811 M CA 1.319 56.472 55.300 -0.245 0.000 1.114 811 M CB -0.807 31.554 32.600 -0.399 0.000 1.361 811 M HN 0.156 nan 8.290 nan 0.000 0.408 812 L N -0.700 120.463 121.223 -0.101 0.000 2.217 812 L HA -0.137 4.204 4.340 0.001 0.000 0.211 812 L C 2.322 179.172 176.870 -0.034 0.000 1.107 812 L CA 0.874 55.682 54.840 -0.053 0.000 0.783 812 L CB -0.881 41.159 42.059 -0.032 0.000 0.919 812 L HN 0.300 nan 8.230 nan 0.000 0.442 813 T N -1.082 113.452 114.554 -0.034 0.000 2.867 813 T HA -0.196 4.155 4.350 0.001 0.000 0.268 813 T C 1.585 176.275 174.700 -0.017 0.000 1.057 813 T CA 1.492 63.582 62.100 -0.017 0.000 1.136 813 T CB -0.141 68.719 68.868 -0.013 0.000 0.874 813 T HN 0.402 nan 8.240 nan 0.000 0.466 814 D N 1.248 121.633 120.400 -0.025 0.000 2.106 814 D HA -0.019 4.621 4.640 0.001 0.000 0.203 814 D C 2.138 178.426 176.300 -0.019 0.000 0.977 814 D CA 0.854 54.844 54.000 -0.017 0.000 0.844 814 D CB -0.263 40.528 40.800 -0.015 0.000 1.002 814 D HN 0.309 nan 8.370 nan 0.000 0.461 815 L N 0.702 121.909 121.223 -0.027 0.000 2.191 815 L HA -0.153 4.188 4.340 0.001 0.000 0.212 815 L C 2.358 179.211 176.870 -0.029 0.000 1.103 815 L CA 0.993 55.815 54.840 -0.030 0.000 0.769 815 L CB -0.687 41.350 42.059 -0.036 0.000 0.908 815 L HN 0.128 nan 8.230 nan 0.000 0.438 816 N N -0.213 118.474 118.700 -0.022 0.000 2.149 816 N HA -0.186 4.554 4.740 0.001 0.000 0.188 816 N C 1.775 177.277 175.510 -0.014 0.000 1.019 816 N CA 1.875 54.917 53.050 -0.014 0.000 0.857 816 N CB 0.067 38.553 38.487 -0.002 0.000 0.997 816 N HN 0.136 nan 8.380 nan 0.000 0.426 817 S N -0.766 114.925 115.700 -0.014 0.000 2.421 817 S HA 0.100 4.571 4.470 0.001 0.000 0.224 817 S C 1.752 176.339 174.600 -0.022 0.000 1.035 817 S CA 0.046 58.238 58.200 -0.013 0.000 0.953 817 S CB -0.020 63.175 63.200 -0.007 0.000 0.810 817 S HN 0.354 nan 8.310 nan 0.000 0.497 818 R N 1.410 121.894 120.500 -0.026 0.000 2.057 818 R HA 0.079 4.420 4.340 0.001 0.000 0.229 818 R C -0.025 176.241 176.300 -0.056 0.000 1.136 818 R CA 1.153 57.231 56.100 -0.036 0.000 0.952 818 R CB 0.125 30.407 30.300 -0.029 0.000 0.848 818 R HN 0.212 nan 8.270 nan 0.000 0.430 819 N N -0.573 118.091 118.700 -0.061 0.000 2.732 819 N HA 0.171 4.911 4.740 0.001 0.000 0.247 819 N C -2.483 172.979 175.510 -0.079 0.000 1.305 819 N CA -1.519 51.479 53.050 -0.087 0.000 0.762 819 N CB 1.816 40.248 38.487 -0.092 0.000 1.361 819 N HN -0.125 nan 8.380 nan 0.000 0.545 820 P HA -0.148 nan 4.420 nan 0.000 0.216 820 P C 1.115 178.370 177.300 -0.074 0.000 1.150 820 P CA 1.446 64.510 63.100 -0.059 0.000 0.843 820 P CB 0.530 32.201 31.700 -0.048 0.000 0.787 821 Q N -0.874 118.862 119.800 -0.107 0.000 2.084 821 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 821 Q C 2.057 177.992 176.000 -0.108 0.000 0.978 821 Q CA 1.360 57.089 55.803 -0.123 0.000 0.844 821 Q CB -0.682 27.949 28.738 -0.178 0.000 0.898 821 Q HN 0.140 nan 8.270 nan 0.000 0.426 822 V N 0.783 120.635 119.914 -0.104 0.000 2.548 822 V HA -0.212 3.909 4.120 0.001 0.000 0.249 822 V C 2.217 178.272 176.094 -0.064 0.000 1.055 822 V CA 1.552 63.802 62.300 -0.082 0.000 1.065 822 V CB -0.897 30.883 31.823 -0.073 0.000 0.681 822 V HN 0.357 nan 8.190 nan 0.000 0.462 823 A N -0.464 122.320 122.820 -0.060 0.000 1.902 823 A HA -0.235 4.086 4.320 0.001 0.000 0.217 823 A C 2.555 180.111 177.584 -0.047 0.000 1.181 823 A CA 2.207 54.215 52.037 -0.048 0.000 0.623 823 A CB -0.762 18.214 19.000 -0.039 0.000 0.818 823 A HN 0.469 nan 8.150 nan 0.000 0.443 824 S N -0.767 114.902 115.700 -0.052 0.000 2.402 824 S HA -0.149 4.321 4.470 0.001 0.000 0.229 824 S C 2.147 176.711 174.600 -0.060 0.000 1.021 824 S CA 1.301 59.469 58.200 -0.052 0.000 0.974 824 S CB -0.325 62.841 63.200 -0.057 0.000 0.800 824 S HN 0.625 nan 8.310 nan 0.000 0.484 825 R N -0.069 120.392 120.500 -0.066 0.000 2.092 825 R HA 0.035 4.375 4.340 0.001 0.000 0.231 825 R C 1.930 178.193 176.300 -0.062 0.000 1.119 825 R CA 1.166 57.227 56.100 -0.065 0.000 0.970 825 R CB -0.408 29.852 30.300 -0.067 0.000 0.864 825 R HN 0.320 nan 8.270 nan 0.000 0.440 826 L N 0.498 121.686 121.223 -0.059 0.000 2.291 826 L HA -0.019 4.322 4.340 0.001 0.000 0.214 826 L C 2.020 178.846 176.870 -0.072 0.000 1.120 826 L CA 1.169 55.969 54.840 -0.067 0.000 0.799 826 L CB -0.187 41.839 42.059 -0.055 0.000 0.925 826 L HN 0.170 nan 8.230 nan 0.000 0.446 827 I N -1.140 119.399 120.570 -0.051 0.000 3.251 827 I HA -0.158 4.012 4.170 0.001 0.000 0.277 827 I C 2.209 178.309 176.117 -0.029 0.000 1.268 827 I CA 0.341 61.623 61.300 -0.030 0.000 1.449 827 I CB 0.257 38.247 38.000 -0.017 0.000 1.083 827 I HN 0.215 nan 8.210 nan 0.000 0.464 828 E N 1.723 121.897 120.200 -0.044 0.000 2.114 828 E HA -0.233 4.118 4.350 0.001 0.000 0.199 828 E C -0.739 175.858 176.600 -0.006 0.000 1.008 828 E CA 2.068 58.453 56.400 -0.025 0.000 0.810 828 E CB -1.108 28.573 29.700 -0.032 0.000 0.739 828 E HN 0.364 nan 8.360 nan 0.000 0.456 829 P HA -0.143 nan 4.420 nan 0.000 0.218 829 P C 1.102 178.488 177.300 0.144 0.000 1.148 829 P CA 1.095 64.165 63.100 -0.049 0.000 0.822 829 P CB 0.004 31.417 31.700 -0.478 0.000 0.784 830 L N -1.410 119.891 121.223 0.130 0.000 2.240 830 L HA -0.067 4.273 4.340 0.001 0.000 0.211 830 L C 1.824 178.739 176.870 0.076 0.000 1.106 830 L CA 0.644 55.566 54.840 0.137 0.000 0.793 830 L CB -0.545 41.575 42.059 0.102 0.000 0.927 830 L HN -0.036 nan 8.230 nan 0.000 0.446 831 I N -0.277 120.334 120.570 0.068 0.000 3.001 831 I HA -0.139 4.031 4.170 0.001 0.000 0.268 831 I C 1.760 177.933 176.117 0.094 0.000 1.267 831 I CA 0.974 62.308 61.300 0.056 0.000 1.472 831 I CB -0.904 37.116 38.000 0.034 0.000 1.089 831 I HN 0.264 nan 8.210 nan 0.000 0.468 832 R N 1.178 121.771 120.500 0.155 0.000 2.356 832 R HA 0.104 4.445 4.340 0.001 0.000 0.234 832 R C 2.012 178.494 176.300 0.304 0.000 0.929 832 R CA -0.005 56.232 56.100 0.228 0.000 1.084 832 R CB -0.717 29.775 30.300 0.319 0.000 1.105 832 R HN 0.391 nan 8.270 nan 0.000 0.515 833 L N -0.567 120.775 121.223 0.198 0.000 2.089 833 L HA -0.157 4.184 4.340 0.001 0.000 0.213 833 L C 1.579 178.577 176.870 0.214 0.000 1.079 833 L CA 1.799 56.746 54.840 0.178 0.000 0.758 833 L CB -0.678 41.400 42.059 0.032 0.000 0.891 833 L HN -0.119 nan 8.230 nan 0.000 0.433 834 K N -0.384 120.100 120.400 0.140 0.000 2.515 834 K HA 0.000 4.321 4.320 0.001 0.000 0.196 834 K C 1.744 178.386 176.600 0.070 0.000 1.038 834 K CA 0.403 56.746 56.287 0.093 0.000 0.967 834 K CB -0.092 32.445 32.500 0.062 0.000 0.780 834 K HN 0.297 nan 8.250 nan 0.000 0.483 835 R N -0.117 120.431 120.500 0.080 0.000 2.297 835 R HA 0.077 4.417 4.340 0.001 0.000 0.197 835 R C 0.120 176.194 176.300 -0.377 0.000 0.943 835 R CA 0.529 56.549 56.100 -0.133 0.000 1.038 835 R CB 0.021 30.199 30.300 -0.203 0.000 0.957 835 R HN 0.147 nan 8.270 nan 0.000 0.484 836 Y N 0.291 120.573 120.300 -0.031 0.000 2.631 836 Y HA 0.139 4.689 4.550 0.001 0.000 0.328 836 Y C 0.608 176.488 175.900 -0.033 0.000 1.118 836 Y CA -2.013 56.049 58.100 -0.063 0.000 1.206 836 Y CB 0.477 38.870 38.460 -0.112 0.000 1.337 836 Y HN 0.031 nan 8.280 nan 0.000 0.515 837 D N -0.220 120.256 120.400 0.126 0.000 2.362 837 D HA 0.243 4.883 4.640 0.001 0.000 0.238 837 D C 0.979 177.324 176.300 0.075 0.000 1.212 837 D CA 0.211 54.253 54.000 0.071 0.000 0.902 837 D CB 0.787 41.620 40.800 0.056 0.000 1.180 837 D HN 0.648 nan 8.370 nan 0.000 0.445 838 A N 1.065 123.915 122.820 0.049 0.000 1.892 838 A HA -0.304 4.016 4.320 0.001 0.000 0.218 838 A C 2.003 179.613 177.584 0.042 0.000 1.188 838 A CA 2.321 54.382 52.037 0.041 0.000 0.631 838 A CB -0.949 18.069 19.000 0.030 0.000 0.822 838 A HN 0.633 nan 8.150 nan 0.000 0.447 839 K N -0.066 120.362 120.400 0.047 0.000 2.032 839 K HA -0.118 4.203 4.320 0.001 0.000 0.209 839 K C 2.160 178.799 176.600 0.064 0.000 1.048 839 K CA 1.872 58.189 56.287 0.050 0.000 0.927 839 K CB -0.306 32.224 32.500 0.050 0.000 0.712 839 K HN 0.500 nan 8.250 nan 0.000 0.441 840 R N -0.036 120.515 120.500 0.085 0.000 2.075 840 R HA -0.071 4.270 4.340 0.001 0.000 0.232 840 R C 2.551 178.848 176.300 -0.006 0.000 1.126 840 R CA 1.653 57.813 56.100 0.101 0.000 0.963 840 R CB -0.251 30.133 30.300 0.139 0.000 0.858 840 R HN 0.389 nan 8.270 nan 0.000 0.435 841 Q N 0.380 120.192 119.800 0.020 0.000 2.096 841 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 841 Q C 2.061 178.038 176.000 -0.039 0.000 0.982 841 Q CA 1.654 57.452 55.803 -0.009 0.000 0.850 841 Q CB -0.056 28.700 28.738 0.031 0.000 0.901 841 Q HN 0.420 nan 8.270 nan 0.000 0.422 842 E N 1.045 121.239 120.200 -0.011 0.000 2.051 842 E HA -0.214 4.136 4.350 0.001 0.000 0.192 842 E C 1.688 178.271 176.600 -0.028 0.000 0.991 842 E CA 1.167 57.561 56.400 -0.009 0.000 0.799 842 E CB 0.160 29.867 29.700 0.012 0.000 0.748 842 E HN 0.204 nan 8.360 nan 0.000 0.449 843 K N -0.252 120.132 120.400 -0.028 0.000 2.097 843 K HA -0.081 4.239 4.320 0.001 0.000 0.205 843 K C 2.246 178.732 176.600 -0.190 0.000 1.050 843 K CA 1.499 57.773 56.287 -0.021 0.000 0.938 843 K CB -0.086 32.500 32.500 0.143 0.000 0.718 843 K HN 0.250 nan 8.250 nan 0.000 0.442 844 M N 0.157 119.521 119.600 -0.395 0.000 2.175 844 M HA -0.104 4.376 4.480 0.001 0.000 0.264 844 M C 2.146 178.325 176.300 -0.202 0.000 1.063 844 M CA 1.432 56.437 55.300 -0.491 0.000 1.119 844 M CB -0.144 32.144 32.600 -0.521 0.000 1.377 844 M HN 0.056 nan 8.290 nan 0.000 0.415 845 R N 0.231 120.659 120.500 -0.120 0.000 2.081 845 R HA -0.075 4.266 4.340 0.001 0.000 0.235 845 R C 2.361 178.638 176.300 -0.039 0.000 1.131 845 R CA 1.492 57.558 56.100 -0.057 0.000 0.960 845 R CB -0.492 29.789 30.300 -0.031 0.000 0.856 845 R HN 0.373 nan 8.270 nan 0.000 0.436 846 A N 1.188 123.986 122.820 -0.037 0.000 1.902 846 A HA -0.133 4.188 4.320 0.001 0.000 0.217 846 A C 2.356 179.937 177.584 -0.006 0.000 1.181 846 A CA 1.737 53.767 52.037 -0.011 0.000 0.623 846 A CB -0.572 18.429 19.000 0.002 0.000 0.818 846 A HN 0.405 nan 8.150 nan 0.000 0.443 847 A N -0.336 122.471 122.820 -0.021 0.000 1.902 847 A HA -0.034 4.286 4.320 0.001 0.000 0.217 847 A C 2.171 179.756 177.584 0.002 0.000 1.181 847 A CA 1.504 53.542 52.037 0.002 0.000 0.623 847 A CB -0.587 18.412 19.000 -0.002 0.000 0.818 847 A HN 0.470 nan 8.150 nan 0.000 0.443 848 L N -0.667 120.546 121.223 -0.016 0.000 2.093 848 L HA -0.144 4.196 4.340 0.001 0.000 0.208 848 L C 2.592 179.465 176.870 0.006 0.000 1.085 848 L CA 1.086 55.923 54.840 -0.005 0.000 0.755 848 L CB -0.458 41.591 42.059 -0.017 0.000 0.904 848 L HN 0.347 nan 8.230 nan 0.000 0.435 849 E N -0.142 120.061 120.200 0.005 0.000 2.150 849 E HA -0.270 4.080 4.350 0.001 0.000 0.193 849 E C 2.036 178.649 176.600 0.022 0.000 0.985 849 E CA 1.035 57.444 56.400 0.015 0.000 0.814 849 E CB -0.056 29.652 29.700 0.013 0.000 0.752 849 E HN 0.543 nan 8.360 nan 0.000 0.466 850 Q N 0.418 120.231 119.800 0.020 0.000 2.079 850 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 850 Q C 2.364 178.380 176.000 0.026 0.000 0.974 850 Q CA 0.834 56.651 55.803 0.024 0.000 0.840 850 Q CB 0.017 28.770 28.738 0.024 0.000 0.898 850 Q HN 0.232 nan 8.270 nan 0.000 0.430 851 L N 0.600 121.839 121.223 0.026 0.000 2.093 851 L HA -0.168 4.172 4.340 0.001 0.000 0.208 851 L C 2.623 179.518 176.870 0.042 0.000 1.085 851 L CA 1.259 56.117 54.840 0.029 0.000 0.755 851 L CB -0.435 41.639 42.059 0.025 0.000 0.904 851 L HN 0.218 nan 8.230 nan 0.000 0.435 852 K N 0.536 120.963 120.400 0.045 0.000 2.152 852 K HA -0.148 4.172 4.320 0.001 0.000 0.206 852 K C 1.661 178.304 176.600 0.071 0.000 1.048 852 K CA 1.387 57.715 56.287 0.069 0.000 0.933 852 K CB -0.168 32.367 32.500 0.058 0.000 0.721 852 K HN 0.352 nan 8.250 nan 0.000 0.447 853 G N 0.895 109.725 108.800 0.050 0.000 3.233 853 G HA2 0.128 4.088 3.960 0.001 0.000 0.227 853 G HA3 0.128 4.088 3.960 0.001 0.000 0.227 853 G C 0.212 175.133 174.900 0.035 0.000 1.175 853 G CA -0.427 44.699 45.100 0.043 0.000 0.781 853 G HN 0.079 nan 8.290 nan 0.000 0.542 854 L N 1.005 122.250 121.223 0.037 0.000 2.456 854 L HA 0.149 4.489 4.340 0.001 0.000 0.272 854 L C 0.888 177.772 176.870 0.024 0.000 1.189 854 L CA -0.279 54.578 54.840 0.028 0.000 0.846 854 L CB 0.890 42.965 42.059 0.027 0.000 1.111 854 L HN 0.247 nan 8.230 nan 0.000 0.475 855 E N 3.904 124.114 120.200 0.017 0.000 2.384 855 E HA -0.030 4.321 4.350 0.001 0.000 0.266 855 E C -0.121 176.485 176.600 0.010 0.000 1.012 855 E CA -0.087 56.321 56.400 0.013 0.000 0.901 855 E CB 0.205 29.911 29.700 0.011 0.000 0.967 855 E HN 0.647 nan 8.360 nan 0.000 0.435 856 N N 1.901 120.605 118.700 0.006 0.000 2.738 856 N HA -0.237 4.504 4.740 0.001 0.000 0.249 856 N C -0.712 174.802 175.510 0.007 0.000 1.047 856 N CA -0.096 52.956 53.050 0.002 0.000 0.707 856 N CB -0.910 37.579 38.487 0.004 0.000 0.937 856 N HN 0.346 nan 8.380 nan 0.000 0.545 857 L N 1.517 122.748 121.223 0.013 0.000 2.462 857 L HA 0.155 4.496 4.340 0.001 0.000 0.272 857 L C 0.806 177.693 176.870 0.030 0.000 1.166 857 L CA 0.082 54.942 54.840 0.033 0.000 0.880 857 L CB 0.757 42.855 42.059 0.065 0.000 1.142 857 L HN 0.261 nan 8.230 nan 0.000 0.473 858 S N 2.894 118.616 115.700 0.037 0.000 2.579 858 S HA 0.306 4.776 4.470 0.001 0.000 0.275 858 S C 1.323 175.968 174.600 0.075 0.000 1.345 858 S CA -0.237 57.985 58.200 0.035 0.000 1.031 858 S CB 1.082 64.295 63.200 0.020 0.000 0.892 858 S HN 0.895 nan 8.310 nan 0.000 0.529 859 G N 1.233 110.071 108.800 0.064 0.000 2.432 859 G HA2 -0.160 3.800 3.960 0.001 0.000 0.219 859 G HA3 -0.160 3.800 3.960 0.001 0.000 0.219 859 G C 0.709 175.694 174.900 0.142 0.000 1.135 859 G CA 0.877 46.048 45.100 0.119 0.000 0.767 859 G HN 0.793 nan 8.290 nan 0.000 0.550 860 D N 0.578 121.023 120.400 0.074 0.000 2.092 860 D HA -0.116 4.525 4.640 0.001 0.000 0.193 860 D C 2.472 178.797 176.300 0.041 0.000 0.994 860 D CA 0.768 54.792 54.000 0.041 0.000 0.828 860 D CB -0.230 40.569 40.800 -0.001 0.000 0.963 860 D HN 0.309 nan 8.370 nan 0.000 0.450 861 L N -0.743 120.513 121.223 0.054 0.000 2.131 861 L HA -0.091 4.249 4.340 0.001 0.000 0.206 861 L C 2.261 179.175 176.870 0.073 0.000 1.087 861 L CA 0.593 55.460 54.840 0.045 0.000 0.767 861 L CB -0.438 41.645 42.059 0.041 0.000 0.917 861 L HN 0.108 nan 8.230 nan 0.000 0.441 862 Y N 1.520 121.825 120.300 0.008 0.000 2.114 862 Y HA -0.360 4.191 4.550 0.001 0.000 0.282 862 Y C 2.608 178.523 175.900 0.024 0.000 1.165 862 Y CA 2.216 60.327 58.100 0.018 0.000 1.148 862 Y CB -0.232 38.242 38.460 0.024 0.000 0.972 862 Y HN 0.234 nan 8.280 nan 0.000 0.504 863 E N 0.039 120.231 120.200 -0.014 0.000 2.085 863 E HA -0.244 4.106 4.350 0.001 0.000 0.194 863 E C 2.063 178.584 176.600 -0.130 0.000 0.994 863 E CA 1.840 58.185 56.400 -0.091 0.000 0.801 863 E CB -0.104 29.630 29.700 0.057 0.000 0.743 863 E HN 0.534 nan 8.360 nan 0.000 0.453 864 K N 0.004 120.352 120.400 -0.087 0.000 2.076 864 K HA -0.034 4.287 4.320 0.001 0.000 0.204 864 K C 2.258 178.809 176.600 -0.081 0.000 1.051 864 K CA 1.110 57.351 56.287 -0.077 0.000 0.949 864 K CB -0.049 32.417 32.500 -0.058 0.000 0.726 864 K HN 0.217 nan 8.250 nan 0.000 0.443 865 I N 1.115 121.630 120.570 -0.092 0.000 2.226 865 I HA -0.279 3.891 4.170 0.001 0.000 0.245 865 I C 2.172 178.217 176.117 -0.120 0.000 1.100 865 I CA 1.298 62.550 61.300 -0.079 0.000 1.374 865 I CB -0.514 37.457 38.000 -0.047 0.000 1.057 865 I HN 0.178 nan 8.210 nan 0.000 0.413 866 T N 0.755 115.163 114.554 -0.244 0.000 2.684 866 T HA -0.211 4.139 4.350 0.001 0.000 0.267 866 T C 1.904 176.531 174.700 -0.122 0.000 1.036 866 T CA 1.430 63.380 62.100 -0.251 0.000 1.148 866 T CB -0.176 68.405 68.868 -0.479 0.000 0.863 866 T HN 0.318 nan 8.240 nan 0.000 0.436 867 K N 0.923 121.264 120.400 -0.099 0.000 2.097 867 K HA 0.100 4.420 4.320 0.001 0.000 0.205 867 K C 2.619 179.210 176.600 -0.015 0.000 1.050 867 K CA 1.040 57.306 56.287 -0.035 0.000 0.938 867 K CB -0.207 32.284 32.500 -0.014 0.000 0.718 867 K HN 0.278 nan 8.250 nan 0.000 0.442 868 A N 1.065 123.871 122.820 -0.023 0.000 1.969 868 A HA -0.056 4.264 4.320 0.001 0.000 0.218 868 A C 1.888 179.469 177.584 -0.004 0.000 1.169 868 A CA 1.061 53.096 52.037 -0.004 0.000 0.635 868 A CB -0.306 18.691 19.000 -0.005 0.000 0.810 868 A HN 0.162 nan 8.150 nan 0.000 0.445 869 L N -0.780 120.433 121.223 -0.016 0.000 2.592 869 L HA 0.212 4.552 4.340 0.001 0.000 0.227 869 L C 1.546 178.416 176.870 -0.001 0.000 1.127 869 L CA -0.065 54.770 54.840 -0.009 0.000 0.884 869 L CB -0.382 41.669 42.059 -0.013 0.000 1.065 869 L HN 0.403 nan 8.230 nan 0.000 0.457 870 A N 0.000 122.820 122.820 -0.000 0.000 2.254 870 A HA 0.000 4.321 4.320 0.001 0.000 0.244 870 A CA 0.000 52.043 52.037 0.010 0.000 0.836 870 A CB 0.000 19.008 19.000 0.013 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486