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 3cuv_1_A DATA FIRST_RESID 9 DATA SEQUENCE KRKQISVRGL AGVENVTELK KNFNRHLHFT LVKDRNVATP RDYYFALAHT DATA SEQUENCE VRDHLVGRWI RTQQHYYEKD PKRIYYLSLE FYMGRTLQNT MVNLALENAC DATA SEQUENCE DEATYQLGLD MEELEEIEED AGLGNGGLGR LAACFLDSMA TLGLAAYGYG DATA SEQUENCE IRYEFGIFNQ KICGGWQMEE ADDWLRYGNP WEKARPEFTL PVHFYGRVEH DATA SEQUENCE TSQGAKWVDT QVVLAMPYDT PVPGYRNNVV NTMRLWSAKA PNDXXXXXXN DATA SEQUENCE VGGYIQAVLD RNLAENISRV LYPNDNFFEG KELRLKQEYF VVAATLQDII DATA SEQUENCE RRFKSSKXXX XXXXXXNFDA FPDKVAIQLN DTHPSLAIPE LMRVLVDLER DATA SEQUENCE LDWDKAWEVT VKTCAYTNHT VLPEALERWP VHLLETLLPR HLQIIYEINQ DATA SEQUENCE RFLNRVAAAF PGDVDRLRRM SLVEEGAVKR INMAHLCIAG SHAVNGVARI DATA SEQUENCE HSEILKKTIF KDFYELEPHK FQNKTNGITP RRWLVLCNPG LAEIIAERIG DATA SEQUENCE EEYISDLDQL RKLLSYVDDE AFIRDVAKVK QENKLKFAAY LEREYKVHIN DATA SEQUENCE PNSLFDVQVK RIHEYKRQLL NCLHVITLYN RIKKEPNKFV VPRTVMIGGK DATA SEQUENCE AAPGYHMAKM IIKLITAIGD VVNHDPVVGD RLRVIFLENY RVSLAEKVIP DATA SEQUENCE AADLSEQIST AGTEASGTGN MXFMLNGALT IGTMDGANVE MAEEAGEENF DATA SEQUENCE FIFGMRVEDV DRLDQRGYNA QEYYDRIPEL RQIIEQLSSG FFSPKQPDLF DATA SEQUENCE KDIVNMLMHH DRFKVFADYE EYVKCQERVS ALYKNPREWT RMVIRNIATS DATA SEQUENCE GKFSSDRTIA QYAREIWGVE PSRQRLP 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.573 176.600 -0.044 0.000 0.988 9 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 9 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 10 R N 1.548 122.021 120.500 -0.046 0.000 2.301 10 R HA -0.272 4.064 4.340 -0.005 0.000 0.250 10 R C 1.685 177.954 176.300 -0.050 0.000 1.102 10 R CA 2.709 58.782 56.100 -0.045 0.000 0.933 10 R CB -0.310 29.956 30.300 -0.057 0.000 0.955 10 R HN 0.127 nan 8.270 nan 0.000 0.439 11 K N 0.253 120.607 120.400 -0.076 0.000 2.366 11 K HA -0.072 4.245 4.320 -0.005 0.000 0.198 11 K C 1.694 178.264 176.600 -0.050 0.000 1.044 11 K CA 1.259 57.503 56.287 -0.072 0.000 0.973 11 K CB 0.207 32.640 32.500 -0.112 0.000 0.767 11 K HN 0.495 nan 8.250 nan 0.000 0.475 12 Q N 0.113 119.886 119.800 -0.044 0.000 2.488 12 Q HA -0.001 4.336 4.340 -0.005 0.000 0.211 12 Q C -0.102 175.889 176.000 -0.015 0.000 0.967 12 Q CA 0.208 55.994 55.803 -0.029 0.000 0.926 12 Q CB 0.075 28.797 28.738 -0.027 0.000 0.992 12 Q HN 0.123 nan 8.270 nan 0.000 0.506 13 I N 1.255 121.817 120.570 -0.013 0.000 2.494 13 I HA -0.104 4.063 4.170 -0.005 0.000 0.289 13 I C 1.310 177.430 176.117 0.005 0.000 1.106 13 I CA 0.244 61.544 61.300 0.000 0.000 1.369 13 I CB 1.220 39.222 38.000 0.002 0.000 1.410 13 I HN 0.075 nan 8.210 nan 0.000 0.523 14 S N 4.923 120.632 115.700 0.014 0.000 2.428 14 S HA -0.124 4.343 4.470 -0.005 0.000 0.230 14 S C 1.783 176.397 174.600 0.023 0.000 1.014 14 S CA 0.747 58.956 58.200 0.015 0.000 0.957 14 S CB -0.613 62.599 63.200 0.020 0.000 0.784 14 S HN 0.605 nan 8.310 nan 0.000 0.499 15 V N -0.220 119.716 119.914 0.037 0.000 3.026 15 V HA 0.109 4.226 4.120 -0.005 0.000 0.265 15 V C 2.005 178.123 176.094 0.040 0.000 1.121 15 V CA 1.211 63.539 62.300 0.048 0.000 1.142 15 V CB -1.100 30.759 31.823 0.061 0.000 0.730 15 V HN 0.393 nan 8.190 nan 0.000 0.503 16 R N 1.094 121.606 120.500 0.020 0.000 2.310 16 R HA 0.440 4.777 4.340 -0.005 0.000 0.202 16 R C 1.195 177.490 176.300 -0.009 0.000 0.933 16 R CA 0.543 56.647 56.100 0.007 0.000 1.054 16 R CB 0.040 30.338 30.300 -0.003 0.000 0.985 16 R HN 0.773 nan 8.270 nan 0.000 0.489 17 G N 0.924 109.719 108.800 -0.009 0.000 2.660 17 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.215 17 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.215 17 G C -0.711 174.175 174.900 -0.024 0.000 1.345 17 G CA -0.935 44.151 45.100 -0.024 0.000 0.877 17 G HN 0.094 nan 8.290 nan 0.000 0.549 18 L N 0.086 121.292 121.223 -0.029 0.000 2.322 18 L HA 0.710 5.047 4.340 -0.005 0.000 0.279 18 L C 0.921 177.777 176.870 -0.024 0.000 1.036 18 L CA -0.417 54.409 54.840 -0.023 0.000 0.807 18 L CB 2.039 44.085 42.059 -0.021 0.000 1.226 18 L HN 1.174 nan 8.230 nan 0.000 0.433 19 A N 2.147 124.956 122.820 -0.019 0.000 3.000 19 A HA 0.538 4.855 4.320 -0.005 0.000 0.315 19 A C 0.607 178.186 177.584 -0.008 0.000 1.434 19 A CA -0.400 51.628 52.037 -0.015 0.000 1.108 19 A CB -0.567 18.424 19.000 -0.015 0.000 1.171 19 A HN 0.799 nan 8.150 nan 0.000 0.524 20 G N 0.401 109.197 108.800 -0.007 0.000 2.380 20 G HA2 0.331 4.288 3.960 -0.005 0.000 0.242 20 G HA3 0.331 4.288 3.960 -0.005 0.000 0.242 20 G C 1.190 176.094 174.900 0.007 0.000 1.298 20 G CA 0.175 45.275 45.100 -0.001 0.000 0.878 20 G HN 1.321 nan 8.290 nan 0.000 0.542 21 V N 0.672 120.591 119.914 0.008 0.000 2.332 21 V HA -0.165 3.952 4.120 -0.005 0.000 0.248 21 V C 2.027 178.131 176.094 0.017 0.000 1.055 21 V CA 2.337 64.644 62.300 0.012 0.000 1.038 21 V CB -0.710 31.119 31.823 0.010 0.000 0.651 21 V HN 0.759 nan 8.190 nan 0.000 0.450 22 E N 0.564 120.775 120.200 0.018 0.000 2.152 22 E HA -0.166 4.181 4.350 -0.005 0.000 0.192 22 E C 2.165 178.786 176.600 0.036 0.000 0.983 22 E CA 1.179 57.594 56.400 0.025 0.000 0.818 22 E CB -0.245 29.468 29.700 0.023 0.000 0.758 22 E HN 0.677 nan 8.360 nan 0.000 0.467 23 N N 0.665 119.385 118.700 0.034 0.000 2.084 23 N HA -0.137 4.600 4.740 -0.005 0.000 0.190 23 N C 1.780 177.318 175.510 0.046 0.000 1.030 23 N CA 0.957 54.034 53.050 0.044 0.000 0.849 23 N CB -0.139 38.361 38.487 0.021 0.000 1.012 23 N HN -0.064 nan 8.380 nan 0.000 0.423 24 V N 0.190 120.122 119.914 0.029 0.000 2.343 24 V HA -0.224 3.893 4.120 -0.005 0.000 0.247 24 V C 2.187 178.302 176.094 0.035 0.000 1.051 24 V CA 2.074 64.390 62.300 0.027 0.000 1.036 24 V CB -1.057 30.777 31.823 0.018 0.000 0.654 24 V HN 0.405 nan 8.190 nan 0.000 0.451 25 T N -0.624 113.951 114.554 0.035 0.000 2.684 25 T HA -0.259 4.087 4.350 -0.005 0.000 0.267 25 T C 1.890 176.623 174.700 0.055 0.000 1.036 25 T CA 1.926 64.048 62.100 0.036 0.000 1.148 25 T CB -0.215 68.670 68.868 0.029 0.000 0.863 25 T HN 0.630 nan 8.240 nan 0.000 0.436 26 E N 0.462 120.702 120.200 0.068 0.000 2.077 26 E HA -0.093 4.254 4.350 -0.005 0.000 0.193 26 E C 2.199 178.875 176.600 0.127 0.000 0.989 26 E CA 0.807 57.261 56.400 0.090 0.000 0.800 26 E CB -0.192 29.567 29.700 0.099 0.000 0.746 26 E HN 0.419 nan 8.360 nan 0.000 0.452 27 L N 0.577 121.882 121.223 0.138 0.000 2.017 27 L HA -0.220 4.117 4.340 -0.005 0.000 0.208 27 L C 2.601 179.580 176.870 0.182 0.000 1.073 27 L CA 1.483 56.428 54.840 0.175 0.000 0.745 27 L CB -0.308 41.826 42.059 0.126 0.000 0.894 27 L HN 0.062 nan 8.230 nan 0.000 0.432 28 K N -0.020 120.446 120.400 0.109 0.000 2.063 28 K HA -0.245 4.072 4.320 -0.005 0.000 0.208 28 K C 2.166 178.866 176.600 0.167 0.000 1.048 28 K CA 1.479 57.822 56.287 0.092 0.000 0.928 28 K CB -0.132 32.380 32.500 0.021 0.000 0.713 28 K HN 0.184 nan 8.250 nan 0.000 0.442 29 K N 0.897 121.376 120.400 0.131 0.000 2.026 29 K HA -0.139 4.178 4.320 -0.005 0.000 0.208 29 K C 1.702 178.391 176.600 0.148 0.000 1.048 29 K CA 1.468 57.826 56.287 0.118 0.000 0.929 29 K CB 0.042 32.590 32.500 0.079 0.000 0.713 29 K HN 0.067 nan 8.250 nan 0.000 0.439 30 N N 0.228 119.030 118.700 0.170 0.000 2.270 30 N HA -0.133 4.604 4.740 -0.005 0.000 0.181 30 N C 1.606 177.286 175.510 0.283 0.000 1.016 30 N CA 0.805 53.959 53.050 0.173 0.000 0.870 30 N CB -0.290 38.304 38.487 0.178 0.000 0.979 30 N HN 0.182 nan 8.380 nan 0.000 0.431 31 F N 2.600 122.657 119.950 0.178 0.000 2.069 31 F HA -0.181 4.343 4.527 -0.005 0.000 0.298 31 F C 2.008 177.918 175.800 0.183 0.000 1.113 31 F CA 1.451 59.564 58.000 0.188 0.000 1.214 31 F CB -0.184 38.890 39.000 0.124 0.000 0.978 31 F HN -0.008 nan 8.300 nan 0.000 0.474 32 N N 0.327 119.255 118.700 0.380 0.000 2.188 32 N HA -0.181 4.556 4.740 -0.005 0.000 0.184 32 N C 2.036 177.633 175.510 0.146 0.000 1.018 32 N CA 1.152 54.350 53.050 0.247 0.000 0.858 32 N CB -0.555 38.057 38.487 0.207 0.000 0.989 32 N HN 0.371 nan 8.380 nan 0.000 0.426 33 R N 0.233 120.817 120.500 0.140 0.000 2.073 33 R HA -0.113 4.224 4.340 -0.005 0.000 0.234 33 R C 1.823 178.206 176.300 0.138 0.000 1.134 33 R CA 1.534 57.731 56.100 0.162 0.000 0.952 33 R CB -0.216 30.120 30.300 0.060 0.000 0.850 33 R HN 0.387 nan 8.270 nan 0.000 0.433 34 H N -0.404 118.711 119.070 0.075 0.000 2.357 34 H HA -0.121 4.431 4.556 -0.005 0.000 0.301 34 H C 1.906 177.180 175.328 -0.089 0.000 1.082 34 H CA 1.469 57.497 56.048 -0.033 0.000 1.342 34 H CB 0.040 29.744 29.762 -0.097 0.000 1.389 34 H HN 0.114 nan 8.280 nan 0.000 0.511 35 L N 0.000 121.225 121.223 0.003 0.000 2.081 35 L HA -0.229 4.107 4.340 -0.005 0.000 0.212 35 L C 2.200 179.060 176.870 -0.016 0.000 1.080 35 L CA 1.908 56.724 54.840 -0.039 0.000 0.754 35 L CB -0.390 41.665 42.059 -0.007 0.000 0.893 35 L HN 0.335 nan 8.230 nan 0.000 0.433 36 H N -2.001 117.004 119.070 -0.109 0.000 2.287 36 H HA -0.043 4.510 4.556 -0.005 0.000 0.309 36 H C 1.809 176.958 175.328 -0.298 0.000 1.059 36 H CA 2.107 57.998 56.048 -0.262 0.000 1.357 36 H CB -0.278 29.230 29.762 -0.423 0.000 1.409 36 H HN 0.259 nan 8.280 nan 0.000 0.515 37 F N -0.318 119.603 119.950 -0.048 0.000 2.234 37 F HA -0.012 4.511 4.527 -0.005 0.000 0.296 37 F C 2.554 178.272 175.800 -0.137 0.000 1.089 37 F CA 1.378 59.307 58.000 -0.119 0.000 1.343 37 F CB -0.327 38.644 39.000 -0.048 0.000 1.040 37 F HN 0.191 nan 8.300 nan 0.000 0.498 38 T N -0.089 114.494 114.554 0.048 0.000 2.901 38 T HA 0.078 4.425 4.350 -0.005 0.000 0.252 38 T C 1.949 176.567 174.700 -0.136 0.000 1.035 38 T CA 0.849 62.908 62.100 -0.069 0.000 1.142 38 T CB -0.237 68.559 68.868 -0.119 0.000 0.869 38 T HN 0.107 nan 8.240 nan 0.000 0.442 39 L N 1.190 122.337 121.223 -0.127 0.000 2.529 39 L HA 0.216 4.553 4.340 -0.005 0.000 0.223 39 L C 0.438 177.225 176.870 -0.139 0.000 1.113 39 L CA -0.075 54.684 54.840 -0.136 0.000 0.861 39 L CB -0.094 41.896 42.059 -0.115 0.000 1.012 39 L HN -0.011 nan 8.230 nan 0.000 0.461 40 V N 0.470 120.280 119.914 -0.174 0.000 5.820 40 V HA -0.271 3.846 4.120 -0.005 0.000 0.300 40 V C 0.009 176.004 176.094 -0.164 0.000 0.585 40 V CA 1.137 63.306 62.300 -0.219 0.000 0.629 40 V CB -2.232 29.484 31.823 -0.179 0.000 0.291 40 V HN 0.398 nan 8.190 nan 0.000 0.887 41 K N 0.518 120.835 120.400 -0.138 0.000 2.400 41 K HA 0.720 5.037 4.320 -0.005 0.000 0.246 41 K C -0.412 176.169 176.600 -0.033 0.000 0.995 41 K CA -0.766 55.470 56.287 -0.085 0.000 0.840 41 K CB 2.631 35.077 32.500 -0.090 0.000 1.293 41 K HN 0.330 nan 8.250 nan 0.000 0.445 42 D N 0.358 120.754 120.400 -0.008 0.000 2.423 42 D HA 0.274 4.911 4.640 -0.005 0.000 0.235 42 D C 0.638 176.974 176.300 0.061 0.000 1.011 42 D CA -0.442 53.582 54.000 0.039 0.000 0.963 42 D CB 1.498 42.314 40.800 0.028 0.000 1.349 42 D HN 0.221 nan 8.370 nan 0.000 0.508 43 R N 1.117 121.682 120.500 0.108 0.000 2.293 43 R HA -0.049 4.288 4.340 -0.005 0.000 0.219 43 R C 1.068 177.436 176.300 0.113 0.000 1.091 43 R CA 0.580 56.779 56.100 0.166 0.000 1.004 43 R CB -0.184 30.215 30.300 0.165 0.000 0.865 43 R HN 0.429 nan 8.270 nan 0.000 0.469 44 N N 0.415 119.153 118.700 0.063 0.000 2.250 44 N HA -0.091 4.646 4.740 -0.005 0.000 0.181 44 N C 1.829 177.353 175.510 0.024 0.000 1.017 44 N CA 1.527 54.602 53.050 0.042 0.000 0.866 44 N CB 0.113 38.616 38.487 0.027 0.000 0.985 44 N HN 0.191 nan 8.380 nan 0.000 0.429 45 V N -1.605 118.311 119.914 0.004 0.000 3.471 45 V HA 0.426 4.543 4.120 -0.005 0.000 0.258 45 V C 1.039 177.098 176.094 -0.058 0.000 1.192 45 V CA -0.283 62.005 62.300 -0.020 0.000 1.116 45 V CB -0.745 31.061 31.823 -0.027 0.000 0.792 45 V HN 0.073 nan 8.190 nan 0.000 0.459 46 A N 2.543 125.309 122.820 -0.090 0.000 2.524 46 A HA 0.495 4.812 4.320 -0.005 0.000 0.250 46 A C 0.814 178.203 177.584 -0.325 0.000 1.078 46 A CA 0.757 52.631 52.037 -0.273 0.000 0.761 46 A CB -0.404 18.341 19.000 -0.425 0.000 1.012 46 A HN 0.772 nan 8.150 nan 0.000 0.500 47 T N 0.764 115.129 114.554 -0.315 0.000 2.912 47 T HA 0.531 4.878 4.350 -0.005 0.000 0.280 47 T C -1.984 172.594 174.700 -0.204 0.000 0.989 47 T CA -1.678 60.316 62.100 -0.176 0.000 0.995 47 T CB 0.987 69.805 68.868 -0.083 0.000 1.077 47 T HN 0.270 nan 8.240 nan 0.000 0.531 48 P HA -0.097 nan 4.420 nan 0.000 0.216 48 P C 1.653 179.044 177.300 0.152 0.000 1.150 48 P CA 0.967 64.175 63.100 0.181 0.000 0.843 48 P CB 0.034 31.819 31.700 0.142 0.000 0.787 49 R N 0.074 120.613 120.500 0.066 0.000 2.073 49 R HA -0.162 4.175 4.340 -0.005 0.000 0.234 49 R C 1.718 178.166 176.300 0.246 0.000 1.134 49 R CA 1.941 58.117 56.100 0.126 0.000 0.952 49 R CB -0.795 29.503 30.300 -0.004 0.000 0.850 49 R HN 0.075 nan 8.270 nan 0.000 0.433 50 D N -0.333 120.098 120.400 0.052 0.000 2.133 50 D HA -0.210 4.427 4.640 -0.005 0.000 0.195 50 D C 1.768 178.093 176.300 0.041 0.000 0.997 50 D CA 1.433 55.424 54.000 -0.015 0.000 0.840 50 D CB -0.348 40.300 40.800 -0.252 0.000 0.947 50 D HN 0.333 nan 8.370 nan 0.000 0.452 51 Y N -0.227 120.176 120.300 0.172 0.000 2.242 51 Y HA -0.159 4.388 4.550 -0.005 0.000 0.291 51 Y C 2.273 178.313 175.900 0.233 0.000 1.137 51 Y CA 0.099 58.350 58.100 0.252 0.000 1.181 51 Y CB -1.158 37.526 38.460 0.374 0.000 0.989 51 Y HN 0.085 nan 8.280 nan 0.000 0.527 52 Y N -0.392 120.050 120.300 0.236 0.000 2.128 52 Y HA -0.304 4.243 4.550 -0.005 0.000 0.284 52 Y C 1.972 177.833 175.900 -0.065 0.000 1.154 52 Y CA 1.446 59.575 58.100 0.049 0.000 1.149 52 Y CB -1.118 37.271 38.460 -0.119 0.000 0.976 52 Y HN 0.044 nan 8.280 nan 0.000 0.505 53 F N 0.108 119.862 119.950 -0.327 0.000 2.186 53 F HA -0.118 4.406 4.527 -0.005 0.000 0.299 53 F C 2.624 178.249 175.800 -0.293 0.000 1.090 53 F CA 1.186 58.920 58.000 -0.443 0.000 1.307 53 F CB -0.765 38.160 39.000 -0.124 0.000 1.019 53 F HN 0.208 nan 8.300 nan 0.000 0.489 54 A N -0.143 122.615 122.820 -0.103 0.000 1.902 54 A HA -0.187 4.130 4.320 -0.005 0.000 0.217 54 A C 2.055 179.478 177.584 -0.269 0.000 1.181 54 A CA 1.590 53.426 52.037 -0.334 0.000 0.623 54 A CB -1.004 17.450 19.000 -0.911 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.260 120.923 121.223 -0.067 0.000 2.056 55 L HA -0.012 4.325 4.340 -0.005 0.000 0.207 55 L C 2.671 179.499 176.870 -0.071 0.000 1.078 55 L CA 2.154 57.088 54.840 0.156 0.000 0.749 55 L CB -0.904 41.327 42.059 0.287 0.000 0.901 55 L HN 0.339 nan 8.230 nan 0.000 0.433 56 A N -1.155 121.427 122.820 -0.397 0.000 1.883 56 A HA -0.289 4.028 4.320 -0.005 0.000 0.217 56 A C 2.135 179.318 177.584 -0.668 0.000 1.186 56 A CA 2.091 53.756 52.037 -0.620 0.000 0.624 56 A CB -1.119 17.164 19.000 -1.194 0.000 0.822 56 A HN 0.689 nan 8.150 nan 0.000 0.444 57 H N -0.895 117.840 119.070 -0.558 0.000 2.357 57 H HA -0.058 4.495 4.556 -0.005 0.000 0.301 57 H C 2.390 177.444 175.328 -0.456 0.000 1.082 57 H CA 1.921 57.569 56.048 -0.665 0.000 1.342 57 H CB -0.226 28.854 29.762 -1.137 0.000 1.389 57 H HN 0.456 nan 8.280 nan 0.000 0.511 58 T N -0.084 114.396 114.554 -0.122 0.000 2.652 58 T HA -0.160 4.187 4.350 -0.005 0.000 0.267 58 T C 2.274 177.129 174.700 0.259 0.000 1.039 58 T CA 1.497 63.717 62.100 0.200 0.000 1.153 58 T CB -0.460 68.584 68.868 0.294 0.000 0.863 58 T HN 0.090 nan 8.240 nan 0.000 0.428 59 V N 1.533 121.570 119.914 0.206 0.000 2.358 59 V HA -0.115 4.002 4.120 -0.005 0.000 0.246 59 V C 2.718 178.994 176.094 0.304 0.000 1.047 59 V CA 1.392 63.856 62.300 0.274 0.000 1.035 59 V CB -0.593 31.389 31.823 0.265 0.000 0.658 59 V HN 0.321 nan 8.190 nan 0.000 0.452 60 R N 0.222 120.847 120.500 0.207 0.000 2.096 60 R HA -0.189 4.148 4.340 -0.005 0.000 0.235 60 R C 1.937 178.344 176.300 0.178 0.000 1.127 60 R CA 1.788 58.013 56.100 0.209 0.000 0.968 60 R CB -0.621 29.637 30.300 -0.070 0.000 0.861 60 R HN 0.507 nan 8.270 nan 0.000 0.440 61 D N -0.420 120.070 120.400 0.150 0.000 2.182 61 D HA -0.167 4.470 4.640 -0.005 0.000 0.201 61 D C 1.666 177.990 176.300 0.040 0.000 0.986 61 D CA 1.030 55.091 54.000 0.101 0.000 0.847 61 D CB -0.326 40.525 40.800 0.085 0.000 0.942 61 D HN 0.429 nan 8.370 nan 0.000 0.467 62 H N -0.336 118.800 119.070 0.111 0.000 2.524 62 H HA 0.065 4.619 4.556 -0.005 0.000 0.282 62 H C 2.085 177.456 175.328 0.071 0.000 1.016 62 H CA 0.367 56.464 56.048 0.082 0.000 1.270 62 H CB 0.373 30.175 29.762 0.067 0.000 1.394 62 H HN 0.208 nan 8.280 nan 0.000 0.568 63 L N -0.416 120.915 121.223 0.181 0.000 2.270 63 L HA -0.067 4.270 4.340 -0.005 0.000 0.210 63 L C 2.465 179.447 176.870 0.185 0.000 1.104 63 L CA 0.087 54.999 54.840 0.119 0.000 0.804 63 L CB 0.025 42.108 42.059 0.039 0.000 0.937 63 L HN 0.008 nan 8.230 nan 0.000 0.450 64 V N 0.369 120.410 119.914 0.211 0.000 2.255 64 V HA -0.250 3.867 4.120 -0.005 0.000 0.247 64 V C 2.635 178.848 176.094 0.199 0.000 1.051 64 V CA 2.230 64.688 62.300 0.263 0.000 1.018 64 V CB -1.325 30.606 31.823 0.181 0.000 0.641 64 V HN 0.557 nan 8.190 nan 0.000 0.445 65 G N -0.374 108.496 108.800 0.116 0.000 2.459 65 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.217 65 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.217 65 G C 1.735 176.686 174.900 0.085 0.000 1.183 65 G CA 0.969 46.114 45.100 0.074 0.000 0.776 65 G HN 0.442 nan 8.290 nan 0.000 0.552 66 R N -1.423 119.135 120.500 0.097 0.000 2.105 66 R HA -0.108 4.228 4.340 -0.005 0.000 0.239 66 R C 2.272 178.663 176.300 0.152 0.000 1.135 66 R CA 1.288 57.436 56.100 0.080 0.000 0.967 66 R CB -0.364 29.967 30.300 0.053 0.000 0.861 66 R HN 0.499 nan 8.270 nan 0.000 0.442 67 W N 1.440 122.732 121.300 -0.013 0.000 2.355 67 W HA -0.079 4.578 4.660 -0.005 0.000 0.309 67 W C 1.742 178.253 176.519 -0.013 0.000 1.206 67 W CA 0.946 58.286 57.345 -0.008 0.000 1.284 67 W CB -0.628 28.844 29.460 0.020 0.000 1.145 67 W HN -0.035 nan 8.180 nan 0.000 0.502 68 I N 0.087 120.719 120.570 0.103 0.000 2.226 68 I HA -0.325 3.842 4.170 -0.005 0.000 0.245 68 I C 2.670 178.777 176.117 -0.016 0.000 1.100 68 I CA 1.483 62.761 61.300 -0.037 0.000 1.374 68 I CB -0.605 37.373 38.000 -0.036 0.000 1.057 68 I HN -0.111 nan 8.210 nan 0.000 0.413 69 R N 0.042 120.548 120.500 0.010 0.000 2.075 69 R HA -0.120 4.217 4.340 -0.005 0.000 0.232 69 R C 2.369 178.643 176.300 -0.044 0.000 1.126 69 R CA 1.953 58.047 56.100 -0.010 0.000 0.963 69 R CB -0.566 29.726 30.300 -0.013 0.000 0.858 69 R HN 0.341 nan 8.270 nan 0.000 0.435 70 T N 1.163 115.673 114.554 -0.074 0.000 2.684 70 T HA -0.160 4.187 4.350 -0.005 0.000 0.267 70 T C 1.788 176.269 174.700 -0.365 0.000 1.036 70 T CA 1.164 63.116 62.100 -0.247 0.000 1.148 70 T CB -0.124 68.649 68.868 -0.159 0.000 0.863 70 T HN 0.202 nan 8.240 nan 0.000 0.436 71 Q N 0.645 120.383 119.800 -0.104 0.000 2.167 71 Q HA -0.061 4.276 4.340 -0.005 0.000 0.202 71 Q C 2.338 178.377 176.000 0.065 0.000 0.970 71 Q CA 1.209 57.032 55.803 0.034 0.000 0.855 71 Q CB -0.467 28.302 28.738 0.052 0.000 0.911 71 Q HN 0.497 nan 8.270 nan 0.000 0.438 72 Q N 0.085 119.896 119.800 0.017 0.000 2.079 72 Q HA -0.179 4.158 4.340 -0.005 0.000 0.200 72 Q C 1.917 177.990 176.000 0.121 0.000 0.974 72 Q CA 1.860 57.698 55.803 0.058 0.000 0.840 72 Q CB -0.349 28.399 28.738 0.017 0.000 0.898 72 Q HN 0.554 nan 8.270 nan 0.000 0.430 73 H N -1.017 118.019 119.070 -0.056 0.000 2.319 73 H HA -0.192 4.361 4.556 -0.005 0.000 0.299 73 H C 1.167 176.534 175.328 0.066 0.000 1.092 73 H CA 2.326 58.340 56.048 -0.056 0.000 1.302 73 H CB -0.304 29.345 29.762 -0.190 0.000 1.373 73 H HN 0.363 nan 8.280 nan 0.000 0.497 74 Y N -1.050 119.286 120.300 0.061 0.000 2.293 74 Y HA -0.177 4.370 4.550 -0.005 0.000 0.291 74 Y C 2.451 178.365 175.900 0.022 0.000 1.137 74 Y CA 1.038 59.144 58.100 0.011 0.000 1.202 74 Y CB -1.333 37.208 38.460 0.136 0.000 0.990 74 Y HN 0.368 nan 8.280 nan 0.000 0.537 75 Y N 1.061 121.429 120.300 0.113 0.000 2.145 75 Y HA -0.210 4.337 4.550 -0.005 0.000 0.286 75 Y C 2.091 177.987 175.900 -0.007 0.000 1.145 75 Y CA 1.955 60.081 58.100 0.043 0.000 1.148 75 Y CB -0.188 38.288 38.460 0.026 0.000 0.981 75 Y HN 0.173 nan 8.280 nan 0.000 0.507 76 E N -0.062 120.176 120.200 0.064 0.000 2.046 76 E HA -0.192 4.155 4.350 -0.005 0.000 0.190 76 E C 2.150 178.675 176.600 -0.125 0.000 0.982 76 E CA 1.068 57.448 56.400 -0.032 0.000 0.800 76 E CB -0.179 29.545 29.700 0.040 0.000 0.756 76 E HN 0.289 nan 8.360 nan 0.000 0.449 77 K N 1.098 121.395 120.400 -0.172 0.000 2.217 77 K HA -0.156 4.161 4.320 -0.005 0.000 0.202 77 K C -0.040 176.491 176.600 -0.114 0.000 1.051 77 K CA 0.932 57.117 56.287 -0.169 0.000 0.952 77 K CB 0.037 32.361 32.500 -0.292 0.000 0.736 77 K HN -0.037 nan 8.250 nan 0.000 0.453 78 D N 0.834 121.168 120.400 -0.111 0.000 2.697 78 D HA -0.108 4.529 4.640 -0.005 0.000 0.235 78 D C -2.393 173.868 176.300 -0.065 0.000 1.167 78 D CA 0.226 54.164 54.000 -0.104 0.000 0.656 78 D CB -0.096 40.612 40.800 -0.153 0.000 1.025 78 D HN 0.279 nan 8.370 nan 0.000 0.419 79 P HA 0.123 nan 4.420 nan 0.000 0.277 79 P C -0.113 177.152 177.300 -0.059 0.000 1.271 79 P CA -0.623 62.449 63.100 -0.047 0.000 0.795 79 P CB 0.638 32.308 31.700 -0.049 0.000 1.101 80 K N 1.046 121.416 120.400 -0.051 0.000 2.451 80 K HA 0.051 4.368 4.320 -0.005 0.000 0.280 80 K C 0.081 176.614 176.600 -0.112 0.000 1.020 80 K CA 0.031 56.283 56.287 -0.058 0.000 1.008 80 K CB 0.249 32.732 32.500 -0.028 0.000 0.917 80 K HN 0.316 nan 8.250 nan 0.000 0.478 81 R N 4.205 124.633 120.500 -0.121 0.000 2.346 81 R HA 0.344 4.681 4.340 -0.005 0.000 0.311 81 R C -0.428 175.677 176.300 -0.325 0.000 0.983 81 R CA -0.897 55.073 56.100 -0.217 0.000 0.880 81 R CB 0.929 31.107 30.300 -0.203 0.000 1.100 81 R HN 0.469 nan 8.270 nan 0.000 0.453 82 I N 4.037 124.342 120.570 -0.442 0.000 2.330 82 I HA 0.216 4.383 4.170 -0.005 0.000 0.289 82 I C -0.545 175.312 176.117 -0.433 0.000 1.001 82 I CA -0.899 60.082 61.300 -0.531 0.000 1.193 82 I CB 0.561 38.070 38.000 -0.818 0.000 1.345 82 I HN 0.508 nan 8.210 nan 0.000 0.461 83 Y N 6.029 126.293 120.300 -0.060 0.000 2.369 83 Y HA 0.283 4.830 4.550 -0.005 0.000 0.337 83 Y C -0.257 175.742 175.900 0.167 0.000 0.961 83 Y CA -0.640 57.538 58.100 0.130 0.000 1.186 83 Y CB 1.134 39.617 38.460 0.038 0.000 1.139 83 Y HN 0.417 nan 8.280 nan 0.000 0.494 84 Y N 4.741 125.214 120.300 0.287 0.000 2.504 84 Y HA 0.491 5.039 4.550 -0.005 0.000 0.339 84 Y C -1.354 174.812 175.900 0.444 0.000 0.974 84 Y CA -1.055 57.228 58.100 0.305 0.000 1.232 84 Y CB 0.250 38.884 38.460 0.290 0.000 1.108 84 Y HN 0.511 nan 8.280 nan 0.000 0.509 85 L N 4.960 126.223 121.223 0.067 0.000 2.265 85 L HA 0.508 4.844 4.340 -0.005 0.000 0.288 85 L C -0.149 176.722 176.870 0.003 0.000 1.058 85 L CA 0.114 55.054 54.840 0.167 0.000 0.809 85 L CB 1.393 43.528 42.059 0.127 0.000 1.179 85 L HN 0.572 nan 8.230 nan 0.000 0.429 86 S N 2.514 118.311 115.700 0.161 0.000 2.541 86 S HA 0.480 4.947 4.470 -0.005 0.000 0.271 86 S C 0.265 174.959 174.600 0.157 0.000 1.133 86 S CA -0.607 57.583 58.200 -0.016 0.000 0.876 86 S CB 1.047 63.977 63.200 -0.450 0.000 1.105 86 S HN 0.490 nan 8.310 nan 0.000 0.470 87 L N 2.409 123.750 121.223 0.197 0.000 2.591 87 L HA 0.396 4.733 4.340 -0.005 0.000 0.228 87 L C 0.159 177.219 176.870 0.317 0.000 1.133 87 L CA 1.159 56.178 54.840 0.299 0.000 0.880 87 L CB -0.834 41.419 42.059 0.323 0.000 1.033 87 L HN 0.704 nan 8.230 nan 0.000 0.450 88 E N -0.879 119.381 120.200 0.099 0.000 2.290 88 E HA 0.358 4.705 4.350 -0.005 0.000 0.274 88 E C -1.530 174.935 176.600 -0.226 0.000 0.889 88 E CA -0.355 56.084 56.400 0.064 0.000 0.760 88 E CB 2.033 31.733 29.700 0.000 0.000 1.206 88 E HN -0.155 nan 8.360 nan 0.000 0.419 89 F N 2.234 122.289 119.950 0.174 0.000 2.610 89 F HA 0.193 4.717 4.527 -0.005 0.000 0.355 89 F C -0.668 175.220 175.800 0.147 0.000 1.140 89 F CA -0.742 57.351 58.000 0.155 0.000 1.037 89 F CB 0.914 39.997 39.000 0.139 0.000 1.287 89 F HN 0.498 nan 8.300 nan 0.000 0.457 90 Y N 5.224 125.596 120.300 0.120 0.000 2.667 90 Y HA 0.187 4.734 4.550 -0.005 0.000 0.340 90 Y C 1.061 176.980 175.900 0.032 0.000 1.303 90 Y CA -0.881 57.242 58.100 0.038 0.000 1.769 90 Y CB 0.205 38.674 38.460 0.015 0.000 1.804 90 Y HN 0.552 nan 8.280 nan 0.000 0.451 91 M N 0.760 120.463 119.600 0.171 0.000 2.349 91 M HA 0.093 4.570 4.480 -0.005 0.000 0.266 91 M C 1.558 177.810 176.300 -0.079 0.000 1.076 91 M CA 1.068 56.391 55.300 0.037 0.000 1.126 91 M CB -1.155 31.452 32.600 0.011 0.000 1.392 91 M HN 0.642 nan 8.290 nan 0.000 0.440 92 G N 1.169 109.911 108.800 -0.098 0.000 2.562 92 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.250 92 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.250 92 G C -0.249 174.577 174.900 -0.122 0.000 1.269 92 G CA -0.303 44.702 45.100 -0.158 0.000 0.919 92 G HN 0.434 nan 8.290 nan 0.000 0.574 93 R N -1.089 119.324 120.500 -0.146 0.000 2.577 93 R HA 0.608 4.945 4.340 -0.005 0.000 0.269 93 R C 1.070 177.232 176.300 -0.229 0.000 1.084 93 R CA 0.290 56.317 56.100 -0.121 0.000 1.163 93 R CB 0.619 30.858 30.300 -0.101 0.000 1.100 93 R HN 0.528 nan 8.270 nan 0.000 0.547 94 T N 0.459 114.820 114.554 -0.322 0.000 2.964 94 T HA 0.007 4.354 4.350 -0.005 0.000 0.250 94 T C 1.348 175.610 174.700 -0.730 0.000 0.982 94 T CA -0.186 61.495 62.100 -0.699 0.000 0.959 94 T CB 0.162 68.221 68.868 -1.348 0.000 1.141 94 T HN 0.320 nan 8.240 nan 0.000 0.494 95 L N 2.068 123.101 121.223 -0.316 0.000 1.989 95 L HA -0.021 4.316 4.340 -0.005 0.000 0.211 95 L C 2.437 179.257 176.870 -0.083 0.000 1.071 95 L CA 2.076 56.900 54.840 -0.027 0.000 0.749 95 L CB -0.642 41.639 42.059 0.371 0.000 0.890 95 L HN 0.202 nan 8.230 nan 0.000 0.431 96 Q N -0.699 119.051 119.800 -0.083 0.000 2.079 96 Q HA -0.252 4.085 4.340 -0.005 0.000 0.200 96 Q C 2.243 178.164 176.000 -0.131 0.000 0.974 96 Q CA 1.879 57.631 55.803 -0.084 0.000 0.840 96 Q CB -0.369 28.318 28.738 -0.085 0.000 0.898 96 Q HN 0.724 nan 8.270 nan 0.000 0.430 97 N N -0.992 117.589 118.700 -0.199 0.000 2.094 97 N HA -0.165 4.572 4.740 -0.005 0.000 0.191 97 N C 1.414 176.813 175.510 -0.185 0.000 1.023 97 N CA 1.941 54.868 53.050 -0.206 0.000 0.857 97 N CB -0.006 38.324 38.487 -0.262 0.000 1.013 97 N HN 0.255 nan 8.380 nan 0.000 0.426 98 T N 1.335 115.738 114.554 -0.252 0.000 2.708 98 T HA -0.085 4.262 4.350 -0.005 0.000 0.266 98 T C 2.073 176.709 174.700 -0.106 0.000 1.037 98 T CA 1.207 63.184 62.100 -0.205 0.000 1.146 98 T CB -0.102 68.601 68.868 -0.274 0.000 0.865 98 T HN 0.278 nan 8.240 nan 0.000 0.435 99 M N 0.528 120.080 119.600 -0.080 0.000 2.117 99 M HA -0.082 4.395 4.480 -0.005 0.000 0.262 99 M C 2.496 178.764 176.300 -0.054 0.000 1.065 99 M CA 1.216 56.484 55.300 -0.053 0.000 1.114 99 M CB -0.630 31.954 32.600 -0.026 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 1.005 120.895 119.914 -0.041 0.000 2.287 100 V HA -0.284 3.833 4.120 -0.005 0.000 0.248 100 V C 1.983 178.099 176.094 0.037 0.000 1.053 100 V CA 1.808 64.117 62.300 0.014 0.000 1.027 100 V CB -0.826 31.008 31.823 0.019 0.000 0.646 100 V HN 0.500 nan 8.190 nan 0.000 0.447 101 N N -0.137 118.568 118.700 0.008 0.000 2.396 101 N HA 0.008 4.745 4.740 -0.005 0.000 0.180 101 N C 1.411 176.827 175.510 -0.156 0.000 1.028 101 N CA 0.974 54.011 53.050 -0.022 0.000 0.893 101 N CB 0.046 38.529 38.487 -0.007 0.000 0.967 101 N HN 0.423 nan 8.380 nan 0.000 0.440 102 L N 0.219 121.367 121.223 -0.125 0.000 2.667 102 L HA 0.306 4.643 4.340 -0.005 0.000 0.232 102 L C 0.623 177.406 176.870 -0.145 0.000 1.138 102 L CA -0.206 54.556 54.840 -0.129 0.000 0.921 102 L CB 0.036 42.043 42.059 -0.087 0.000 1.180 102 L HN -0.071 nan 8.230 nan 0.000 0.487 103 A N 0.594 123.323 122.820 -0.151 0.000 2.791 103 A HA -0.209 4.108 4.320 -0.005 0.000 0.292 103 A C 0.830 178.353 177.584 -0.101 0.000 1.487 103 A CA 0.934 52.896 52.037 -0.125 0.000 0.760 103 A CB -2.024 16.888 19.000 -0.146 0.000 1.031 103 A HN 0.450 nan 8.150 nan 0.000 0.503 104 L N -1.570 119.594 121.223 -0.099 0.000 2.766 104 L HA 0.181 4.518 4.340 -0.005 0.000 0.242 104 L C 1.881 178.713 176.870 -0.064 0.000 1.136 104 L CA 0.682 55.458 54.840 -0.107 0.000 0.933 104 L CB 0.127 42.087 42.059 -0.166 0.000 1.241 104 L HN 0.641 nan 8.230 nan 0.000 0.522 105 E N 1.153 121.327 120.200 -0.044 0.000 2.031 105 E HA -0.217 4.130 4.350 -0.005 0.000 0.193 105 E C 1.623 178.210 176.600 -0.021 0.000 0.994 105 E CA 1.650 58.035 56.400 -0.025 0.000 0.800 105 E CB 0.148 29.837 29.700 -0.018 0.000 0.752 105 E HN 0.512 nan 8.360 nan 0.000 0.447 106 N N -0.379 118.306 118.700 -0.026 0.000 2.188 106 N HA -0.143 4.594 4.740 -0.005 0.000 0.184 106 N C 1.764 177.260 175.510 -0.024 0.000 1.018 106 N CA 0.739 53.774 53.050 -0.026 0.000 0.858 106 N CB -0.079 38.391 38.487 -0.027 0.000 0.989 106 N HN 0.159 nan 8.380 nan 0.000 0.426 107 A N 0.527 123.331 122.820 -0.027 0.000 1.877 107 A HA -0.169 4.148 4.320 -0.005 0.000 0.216 107 A C 2.416 179.994 177.584 -0.010 0.000 1.186 107 A CA 1.144 53.168 52.037 -0.022 0.000 0.620 107 A CB -0.968 18.010 19.000 -0.037 0.000 0.822 107 A HN 0.465 nan 8.150 nan 0.000 0.443 108 C N -0.860 118.434 119.300 -0.010 0.000 2.440 108 C HA -0.062 4.395 4.460 -0.005 0.000 0.278 108 C C 2.474 177.467 174.990 0.006 0.000 1.295 108 C CA 1.085 60.108 59.018 0.009 0.000 1.738 108 C CB -1.127 26.629 27.740 0.027 0.000 1.987 108 C HN 0.698 nan 8.230 nan 0.000 0.492 109 D N 0.736 121.138 120.400 0.004 0.000 2.097 109 D HA -0.147 4.489 4.640 -0.005 0.000 0.195 109 D C 2.121 178.435 176.300 0.023 0.000 0.989 109 D CA 1.535 55.539 54.000 0.007 0.000 0.827 109 D CB -0.251 40.541 40.800 -0.012 0.000 0.966 109 D HN 0.476 nan 8.370 nan 0.000 0.456 110 E N 0.185 120.393 120.200 0.012 0.000 2.047 110 E HA -0.054 4.293 4.350 -0.005 0.000 0.191 110 E C 1.892 178.530 176.600 0.063 0.000 0.987 110 E CA 1.560 57.988 56.400 0.045 0.000 0.799 110 E CB -0.567 29.142 29.700 0.016 0.000 0.752 110 E HN 0.215 nan 8.360 nan 0.000 0.449 111 A N -0.063 122.763 122.820 0.009 0.000 1.883 111 A HA -0.240 4.077 4.320 -0.005 0.000 0.217 111 A C 2.517 180.027 177.584 -0.122 0.000 1.186 111 A CA 3.041 55.055 52.037 -0.038 0.000 0.624 111 A CB -1.547 17.436 19.000 -0.028 0.000 0.822 111 A HN 0.526 nan 8.150 nan 0.000 0.444 112 T N -3.663 110.812 114.554 -0.132 0.000 2.821 112 T HA -0.209 4.138 4.350 -0.005 0.000 0.267 112 T C 1.841 176.455 174.700 -0.143 0.000 1.046 112 T CA 1.490 63.449 62.100 -0.234 0.000 1.139 112 T CB -0.629 68.145 68.868 -0.157 0.000 0.871 112 T HN 0.503 nan 8.240 nan 0.000 0.454 113 Y N 2.116 122.335 120.300 -0.136 0.000 2.128 113 Y HA -0.162 4.386 4.550 -0.004 0.000 0.284 113 Y C 2.736 178.572 175.900 -0.107 0.000 1.154 113 Y CA 1.713 59.752 58.100 -0.101 0.000 1.149 113 Y CB -0.365 38.055 38.460 -0.066 0.000 0.976 113 Y HN 0.219 nan 8.280 nan 0.000 0.505 114 Q N -0.094 119.626 119.800 -0.132 0.000 2.291 114 Q HA -0.130 4.207 4.340 -0.005 0.000 0.205 114 Q C 1.879 177.739 176.000 -0.233 0.000 0.970 114 Q CA 1.361 57.049 55.803 -0.191 0.000 0.876 114 Q CB -0.077 28.626 28.738 -0.058 0.000 0.935 114 Q HN 0.545 nan 8.270 nan 0.000 0.455 115 L N -0.989 120.077 121.223 -0.262 0.000 2.591 115 L HA 0.151 4.488 4.340 -0.005 0.000 0.228 115 L C 0.994 177.685 176.870 -0.299 0.000 1.133 115 L CA 0.334 55.000 54.840 -0.290 0.000 0.880 115 L CB 0.123 41.922 42.059 -0.433 0.000 1.033 115 L HN 0.339 nan 8.230 nan 0.000 0.450 116 G N 0.655 109.265 108.800 -0.317 0.000 2.142 116 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.225 116 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.225 116 G C -0.176 174.591 174.900 -0.221 0.000 1.015 116 G CA -0.247 44.685 45.100 -0.279 0.000 0.716 116 G HN 0.213 nan 8.290 nan 0.000 0.508 117 L N -0.046 121.046 121.223 -0.218 0.000 2.354 117 L HA 0.597 4.933 4.340 -0.005 0.000 0.269 117 L C -0.610 176.241 176.870 -0.032 0.000 1.005 117 L CA -1.183 53.571 54.840 -0.144 0.000 0.819 117 L CB 1.920 43.836 42.059 -0.239 0.000 1.311 117 L HN 0.076 nan 8.230 nan 0.000 0.423 118 D N 2.450 122.861 120.400 0.020 0.000 2.380 118 D HA 0.154 4.791 4.640 -0.005 0.000 0.230 118 D C 0.696 177.032 176.300 0.060 0.000 1.154 118 D CA -0.186 53.848 54.000 0.058 0.000 0.859 118 D CB 1.419 42.256 40.800 0.062 0.000 1.045 118 D HN 0.527 nan 8.370 nan 0.000 0.495 119 M N 3.148 122.783 119.600 0.058 0.000 2.202 119 M HA -0.155 4.322 4.480 -0.005 0.000 0.262 119 M C 1.260 177.606 176.300 0.076 0.000 1.063 119 M CA 1.526 56.868 55.300 0.070 0.000 1.097 119 M CB 0.220 32.853 32.600 0.055 0.000 1.382 119 M HN 0.408 nan 8.290 nan 0.000 0.413 120 E N -0.074 120.160 120.200 0.057 0.000 2.106 120 E HA -0.201 4.146 4.350 -0.005 0.000 0.192 120 E C 1.807 178.439 176.600 0.053 0.000 0.984 120 E CA 1.305 57.734 56.400 0.048 0.000 0.806 120 E CB -0.080 29.643 29.700 0.038 0.000 0.750 120 E HN 0.654 nan 8.360 nan 0.000 0.458 121 E N 0.573 120.810 120.200 0.062 0.000 2.110 121 E HA -0.159 4.188 4.350 -0.005 0.000 0.193 121 E C 2.178 178.822 176.600 0.072 0.000 0.988 121 E CA 0.667 57.105 56.400 0.063 0.000 0.804 121 E CB 0.010 29.752 29.700 0.069 0.000 0.745 121 E HN 0.261 nan 8.360 nan 0.000 0.458 122 L N 0.703 121.991 121.223 0.110 0.000 2.093 122 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 122 L C 2.210 179.151 176.870 0.118 0.000 1.085 122 L CA 1.099 56.040 54.840 0.169 0.000 0.755 122 L CB -0.399 41.812 42.059 0.252 0.000 0.904 122 L HN 0.114 nan 8.230 nan 0.000 0.435 123 E N -0.033 120.221 120.200 0.090 0.000 2.153 123 E HA -0.195 4.152 4.350 -0.005 0.000 0.194 123 E C 1.886 178.440 176.600 -0.077 0.000 0.988 123 E CA 0.751 57.171 56.400 0.033 0.000 0.811 123 E CB 0.052 29.775 29.700 0.037 0.000 0.746 123 E HN 0.361 nan 8.360 nan 0.000 0.466 124 E N 0.296 120.468 120.200 -0.047 0.000 2.409 124 E HA -0.103 4.244 4.350 -0.005 0.000 0.198 124 E C 1.819 178.350 176.600 -0.114 0.000 1.024 124 E CA 0.529 56.900 56.400 -0.048 0.000 0.861 124 E CB 0.032 29.740 29.700 0.013 0.000 0.788 124 E HN 0.425 nan 8.360 nan 0.000 0.521 125 I N 0.668 121.102 120.570 -0.225 0.000 2.617 125 I HA -0.093 4.074 4.170 -0.005 0.000 0.256 125 I C 1.373 177.184 176.117 -0.509 0.000 1.167 125 I CA 0.221 61.323 61.300 -0.329 0.000 1.469 125 I CB 0.070 37.880 38.000 -0.317 0.000 1.098 125 I HN -0.039 nan 8.210 nan 0.000 0.436 126 E N 2.931 122.708 120.200 -0.706 0.000 2.376 126 E HA -0.014 4.333 4.350 -0.005 0.000 0.266 126 E C -0.258 176.251 176.600 -0.150 0.000 1.009 126 E CA -0.192 55.873 56.400 -0.558 0.000 0.902 126 E CB 0.618 30.087 29.700 -0.385 0.000 0.972 126 E HN 0.130 nan 8.360 nan 0.000 0.439 127 E N 3.615 123.820 120.200 0.009 0.000 2.354 127 E HA 0.058 4.405 4.350 -0.005 0.000 0.269 127 E C -0.725 175.964 176.600 0.149 0.000 1.036 127 E CA -0.343 56.136 56.400 0.133 0.000 0.876 127 E CB 0.714 30.578 29.700 0.273 0.000 1.009 127 E HN 0.499 nan 8.360 nan 0.000 0.416 128 D N 0.942 121.399 120.400 0.094 0.000 2.443 128 D HA 0.106 4.742 4.640 -0.005 0.000 0.239 128 D C -0.224 176.102 176.300 0.043 0.000 1.136 128 D CA 0.229 54.252 54.000 0.039 0.000 0.879 128 D CB 0.543 41.338 40.800 -0.008 0.000 1.195 128 D HN 0.397 nan 8.370 nan 0.000 0.443 129 A N 2.394 125.184 122.820 -0.050 0.000 2.805 129 A HA 0.447 4.764 4.320 -0.005 0.000 0.301 129 A C 1.077 178.491 177.584 -0.284 0.000 1.557 129 A CA -0.382 51.422 52.037 -0.389 0.000 1.254 129 A CB -0.463 18.362 19.000 -0.293 0.000 1.114 129 A HN 0.526 nan 8.150 nan 0.000 0.553 130 G N 1.730 110.361 108.800 -0.282 0.000 3.541 130 G HA2 0.401 4.358 3.960 -0.005 0.000 0.253 130 G HA3 0.401 4.358 3.960 -0.005 0.000 0.253 130 G C 0.335 175.137 174.900 -0.163 0.000 1.017 130 G CA -0.288 44.799 45.100 -0.022 0.000 1.832 130 G HN 0.684 nan 8.290 nan 0.000 0.649 131 L N 1.277 122.418 121.223 -0.136 0.000 2.888 131 L HA 0.373 4.710 4.340 -0.005 0.000 0.237 131 L C 1.078 177.937 176.870 -0.019 0.000 1.288 131 L CA -0.246 54.579 54.840 -0.025 0.000 1.110 131 L CB -0.200 41.923 42.059 0.106 0.000 1.441 131 L HN 0.328 nan 8.230 nan 0.000 0.474 132 G N -1.439 107.152 108.800 -0.349 0.000 2.684 132 G HA2 0.212 4.169 3.960 -0.005 0.000 0.290 132 G HA3 0.212 4.169 3.960 -0.005 0.000 0.290 132 G C -0.114 174.227 174.900 -0.931 0.000 1.425 132 G CA -0.432 44.337 45.100 -0.551 0.000 0.822 132 G HN -0.128 nan 8.290 nan 0.000 0.482 133 N N -0.759 117.596 118.700 -0.576 0.000 2.368 133 N HA 0.196 4.933 4.740 -0.005 0.000 0.178 133 N C 1.176 176.522 175.510 -0.273 0.000 1.021 133 N CA 1.379 54.206 53.050 -0.372 0.000 0.875 133 N CB 0.974 39.396 38.487 -0.108 0.000 1.020 133 N HN 0.814 nan 8.380 nan 0.000 0.433 134 G N -0.959 107.755 108.800 -0.144 0.000 2.818 134 G HA2 0.243 4.199 3.960 -0.005 0.000 0.109 134 G HA3 0.243 4.199 3.960 -0.005 0.000 0.109 134 G C 0.697 175.728 174.900 0.217 0.000 1.206 134 G CA 0.242 45.456 45.100 0.190 0.000 1.243 134 G HN 0.162 nan 8.290 nan 0.000 0.609 135 G N 0.287 109.162 108.800 0.124 0.000 2.418 135 G HA2 -0.037 3.920 3.960 -0.005 0.000 0.217 135 G HA3 -0.037 3.920 3.960 -0.005 0.000 0.217 135 G C 1.869 176.773 174.900 0.005 0.000 1.158 135 G CA 1.402 46.542 45.100 0.067 0.000 0.771 135 G HN 0.699 nan 8.290 nan 0.000 0.545 136 L N 0.652 121.842 121.223 -0.055 0.000 2.046 136 L HA 0.072 4.408 4.340 -0.005 0.000 0.208 136 L C 2.828 179.613 176.870 -0.141 0.000 1.077 136 L CA 1.969 56.684 54.840 -0.208 0.000 0.747 136 L CB -0.533 41.348 42.059 -0.297 0.000 0.896 136 L HN 0.237 nan 8.230 nan 0.000 0.432 137 G N -0.726 108.040 108.800 -0.057 0.000 2.408 137 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.217 137 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.217 137 G C 1.637 176.608 174.900 0.118 0.000 1.150 137 G CA 0.696 45.782 45.100 -0.022 0.000 0.776 137 G HN 0.291 nan 8.290 nan 0.000 0.542 138 R N 0.002 120.633 120.500 0.218 0.000 2.090 138 R HA 0.138 4.475 4.340 -0.005 0.000 0.228 138 R C 2.319 178.652 176.300 0.055 0.000 1.110 138 R CA 0.773 56.992 56.100 0.199 0.000 0.973 138 R CB -0.923 29.484 30.300 0.178 0.000 0.869 138 R HN 0.317 nan 8.270 nan 0.000 0.440 139 L N 0.290 121.469 121.223 -0.073 0.000 2.012 139 L HA -0.068 4.269 4.340 -0.005 0.000 0.210 139 L C 2.107 178.705 176.870 -0.454 0.000 1.073 139 L CA 2.249 56.898 54.840 -0.319 0.000 0.748 139 L CB -0.903 40.923 42.059 -0.388 0.000 0.891 139 L HN 0.270 nan 8.230 nan 0.000 0.431 140 A N -0.658 122.032 122.820 -0.217 0.000 1.908 140 A HA -0.191 4.126 4.320 -0.005 0.000 0.218 140 A C 2.443 180.112 177.584 0.142 0.000 1.181 140 A CA 2.057 54.062 52.037 -0.052 0.000 0.627 140 A CB -1.203 17.701 19.000 -0.160 0.000 0.818 140 A HN 0.582 nan 8.150 nan 0.000 0.445 141 A N -1.137 121.793 122.820 0.183 0.000 1.898 141 A HA -0.152 4.165 4.320 -0.005 0.000 0.216 141 A C 2.315 179.992 177.584 0.156 0.000 1.181 141 A CA 1.644 53.812 52.037 0.219 0.000 0.620 141 A CB -1.267 17.846 19.000 0.189 0.000 0.819 141 A HN 0.607 nan 8.150 nan 0.000 0.442 142 C N -1.485 117.906 119.300 0.152 0.000 2.425 142 C HA -0.062 4.395 4.460 -0.005 0.000 0.277 142 C C 2.419 177.586 174.990 0.295 0.000 1.280 142 C CA 0.603 59.749 59.018 0.212 0.000 1.744 142 C CB -1.618 26.268 27.740 0.243 0.000 1.989 142 C HN 0.605 nan 8.230 nan 0.000 0.491 143 F N 0.531 120.476 119.950 -0.009 0.000 2.134 143 F HA -0.067 4.457 4.527 -0.005 0.000 0.299 143 F C 2.110 177.849 175.800 -0.103 0.000 1.097 143 F CA 1.020 58.953 58.000 -0.111 0.000 1.264 143 F CB -1.367 37.421 39.000 -0.353 0.000 1.001 143 F HN 0.094 nan 8.300 nan 0.000 0.479 144 L N 0.321 121.623 121.223 0.132 0.000 2.012 144 L HA -0.244 4.093 4.340 -0.005 0.000 0.210 144 L C 2.185 179.070 176.870 0.025 0.000 1.073 144 L CA 2.033 56.906 54.840 0.054 0.000 0.748 144 L CB -1.319 40.782 42.059 0.069 0.000 0.891 144 L HN 0.122 nan 8.230 nan 0.000 0.431 145 D N -1.517 118.910 120.400 0.045 0.000 2.092 145 D HA -0.187 4.450 4.640 -0.005 0.000 0.193 145 D C 2.179 178.500 176.300 0.035 0.000 0.994 145 D CA 1.629 55.643 54.000 0.022 0.000 0.828 145 D CB 0.122 40.936 40.800 0.024 0.000 0.963 145 D HN 0.193 nan 8.370 nan 0.000 0.450 146 S N -0.793 114.946 115.700 0.064 0.000 2.382 146 S HA -0.109 4.358 4.470 -0.005 0.000 0.228 146 S C 1.996 176.611 174.600 0.025 0.000 1.027 146 S CA 0.883 59.113 58.200 0.048 0.000 0.991 146 S CB -0.230 63.007 63.200 0.061 0.000 0.823 146 S HN 0.342 nan 8.310 nan 0.000 0.469 147 M N 0.841 120.447 119.600 0.010 0.000 2.175 147 M HA -0.081 4.396 4.480 -0.005 0.000 0.264 147 M C 2.414 178.714 176.300 0.000 0.000 1.063 147 M CA 1.320 56.621 55.300 0.003 0.000 1.119 147 M CB -0.466 32.114 32.600 -0.034 0.000 1.377 147 M HN 0.397 nan 8.290 nan 0.000 0.415 148 A N -0.315 122.503 122.820 -0.003 0.000 1.897 148 A HA -0.106 4.211 4.320 -0.005 0.000 0.215 148 A C 2.157 179.759 177.584 0.031 0.000 1.181 148 A CA 1.910 53.952 52.037 0.009 0.000 0.620 148 A CB -1.007 17.983 19.000 -0.016 0.000 0.821 148 A HN 0.394 nan 8.150 nan 0.000 0.443 149 T N 0.429 115.004 114.554 0.036 0.000 2.833 149 T HA -0.012 4.335 4.350 -0.005 0.000 0.269 149 T C 1.324 176.055 174.700 0.052 0.000 1.054 149 T CA 1.109 63.242 62.100 0.055 0.000 1.135 149 T CB -0.281 68.628 68.868 0.068 0.000 0.869 149 T HN 0.341 nan 8.240 nan 0.000 0.466 150 L N 0.517 121.768 121.223 0.047 0.000 2.629 150 L HA 0.285 4.622 4.340 -0.005 0.000 0.230 150 L C 1.670 178.576 176.870 0.061 0.000 1.151 150 L CA 0.025 54.895 54.840 0.050 0.000 0.924 150 L CB -0.581 41.507 42.059 0.048 0.000 1.137 150 L HN 0.412 nan 8.230 nan 0.000 0.457 151 G N 1.112 109.954 108.800 0.070 0.000 2.225 151 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.267 151 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.267 151 G C 0.152 175.121 174.900 0.116 0.000 1.024 151 G CA 0.027 45.194 45.100 0.111 0.000 0.784 151 G HN 0.300 nan 8.290 nan 0.000 0.507 152 L N -0.110 121.138 121.223 0.041 0.000 2.350 152 L HA 0.590 4.927 4.340 -0.005 0.000 0.275 152 L C 1.236 177.945 176.870 -0.268 0.000 1.099 152 L CA -0.293 54.509 54.840 -0.063 0.000 0.808 152 L CB 1.544 43.581 42.059 -0.038 0.000 1.149 152 L HN 0.251 nan 8.230 nan 0.000 0.442 153 A N 3.156 125.649 122.820 -0.546 0.000 3.026 153 A HA 0.543 4.860 4.320 -0.005 0.000 0.272 153 A C 0.356 177.540 177.584 -0.666 0.000 1.782 153 A CA -0.158 51.226 52.037 -1.088 0.000 1.451 153 A CB -0.670 17.660 19.000 -1.118 0.000 1.081 153 A HN 0.706 nan 8.150 nan 0.000 0.611 154 A N 1.247 123.680 122.820 -0.646 0.000 2.337 154 A HA 0.762 5.079 4.320 -0.005 0.000 0.329 154 A C -1.105 176.100 177.584 -0.633 0.000 1.146 154 A CA -0.444 51.298 52.037 -0.492 0.000 0.800 154 A CB 0.731 19.541 19.000 -0.316 0.000 1.220 154 A HN 0.587 nan 8.150 nan 0.000 0.472 155 Y N 0.894 121.093 120.300 -0.170 0.000 2.349 155 Y HA 0.483 5.031 4.550 -0.005 0.000 0.324 155 Y C 0.947 176.956 175.900 0.182 0.000 1.005 155 Y CA -0.461 57.632 58.100 -0.011 0.000 1.240 155 Y CB 2.025 40.522 38.460 0.061 0.000 1.117 155 Y HN 0.854 nan 8.280 nan 0.000 0.463 156 G N 2.444 111.340 108.800 0.160 0.000 2.380 156 G HA2 0.323 4.280 3.960 -0.005 0.000 0.262 156 G HA3 0.323 4.280 3.960 -0.005 0.000 0.262 156 G C -1.489 173.444 174.900 0.054 0.000 1.243 156 G CA 0.034 45.257 45.100 0.204 0.000 0.865 156 G HN 0.550 nan 8.290 nan 0.000 0.513 157 Y N 0.961 121.468 120.300 0.344 0.000 2.373 157 Y HA 0.594 5.141 4.550 -0.005 0.000 0.336 157 Y C 0.699 176.892 175.900 0.488 0.000 0.979 157 Y CA 0.259 58.544 58.100 0.309 0.000 1.080 157 Y CB 2.649 41.333 38.460 0.373 0.000 1.190 157 Y HN 0.913 nan 8.280 nan 0.000 0.446 158 G N 2.129 111.234 108.800 0.507 0.000 2.694 158 G HA2 0.495 4.452 3.960 -0.005 0.000 0.246 158 G HA3 0.495 4.452 3.960 -0.005 0.000 0.246 158 G C -2.047 173.091 174.900 0.397 0.000 1.205 158 G CA -0.699 44.731 45.100 0.550 0.000 0.891 158 G HN 0.557 nan 8.290 nan 0.000 0.515 159 I N 0.367 121.081 120.570 0.240 0.000 2.545 159 I HA 0.596 4.763 4.170 -0.005 0.000 0.292 159 I C -0.008 176.051 176.117 -0.097 0.000 1.040 159 I CA -1.117 60.244 61.300 0.102 0.000 1.068 159 I CB 2.002 39.993 38.000 -0.015 0.000 1.251 159 I HN 0.439 nan 8.210 nan 0.000 0.424 160 R N 6.864 127.394 120.500 0.051 0.000 2.608 160 R HA 0.221 4.558 4.340 -0.005 0.000 0.277 160 R C -1.413 174.953 176.300 0.111 0.000 1.341 160 R CA -0.428 55.727 56.100 0.091 0.000 1.199 160 R CB -0.062 30.266 30.300 0.046 0.000 1.156 160 R HN 0.497 nan 8.270 nan 0.000 0.558 161 Y N 1.470 121.929 120.300 0.264 0.000 2.620 161 Y HA -0.132 4.415 4.550 -0.005 0.000 0.330 161 Y C 1.607 177.679 175.900 0.286 0.000 1.186 161 Y CA 0.317 58.561 58.100 0.240 0.000 1.467 161 Y CB 0.608 39.189 38.460 0.202 0.000 1.262 161 Y HN 0.588 nan 8.280 nan 0.000 0.550 162 E N 2.204 122.554 120.200 0.249 0.000 2.150 162 E HA -0.077 4.270 4.350 -0.005 0.000 0.193 162 E C -0.760 175.622 176.600 -0.363 0.000 0.985 162 E CA 0.732 57.037 56.400 -0.157 0.000 0.814 162 E CB 0.160 29.638 29.700 -0.370 0.000 0.752 162 E HN 0.505 nan 8.360 nan 0.000 0.466 163 F N -0.409 119.773 119.950 0.387 0.000 2.507 163 F HA 0.442 4.966 4.527 -0.005 0.000 0.328 163 F C 0.748 176.653 175.800 0.174 0.000 1.136 163 F CA -0.921 57.264 58.000 0.309 0.000 0.930 163 F CB 1.829 40.937 39.000 0.180 0.000 1.166 163 F HN -0.115 nan 8.300 nan 0.000 0.436 164 G N 1.719 110.653 108.800 0.223 0.000 2.504 164 G HA2 0.320 4.277 3.960 -0.005 0.000 0.257 164 G HA3 0.320 4.277 3.960 -0.005 0.000 0.257 164 G C -0.454 174.424 174.900 -0.037 0.000 1.451 164 G CA -0.681 44.395 45.100 -0.039 0.000 1.059 164 G HN 0.576 nan 8.290 nan 0.000 0.550 165 I N 0.998 121.484 120.570 -0.140 0.000 2.752 165 I HA 0.175 4.342 4.170 -0.005 0.000 0.289 165 I C 0.582 176.631 176.117 -0.113 0.000 1.197 165 I CA -1.121 60.075 61.300 -0.174 0.000 1.432 165 I CB -0.455 37.363 38.000 -0.304 0.000 1.359 165 I HN 0.333 nan 8.210 nan 0.000 0.571 166 F N 5.294 125.266 119.950 0.035 0.000 2.628 166 F HA 0.158 4.683 4.527 -0.005 0.000 0.362 166 F C 0.419 176.276 175.800 0.096 0.000 1.148 166 F CA -0.526 57.512 58.000 0.065 0.000 1.352 166 F CB -0.617 38.407 39.000 0.040 0.000 1.081 166 F HN 0.534 nan 8.300 nan 0.000 0.605 167 N N 2.186 121.052 118.700 0.278 0.000 2.470 167 N HA 0.046 4.783 4.740 -0.005 0.000 0.268 167 N C -0.786 174.952 175.510 0.379 0.000 1.136 167 N CA -0.508 52.681 53.050 0.232 0.000 0.961 167 N CB 0.553 39.167 38.487 0.211 0.000 1.067 167 N HN 0.684 nan 8.380 nan 0.000 0.468 168 Q N 2.816 122.805 119.800 0.316 0.000 2.274 168 Q HA 0.159 4.496 4.340 -0.005 0.000 0.256 168 Q C -1.043 175.133 176.000 0.293 0.000 0.927 168 Q CA -0.465 55.581 55.803 0.405 0.000 0.939 168 Q CB 0.575 29.543 28.738 0.384 0.000 1.201 168 Q HN 0.295 nan 8.270 nan 0.000 0.426 169 K N 4.383 124.935 120.400 0.254 0.000 2.221 169 K HA 0.459 4.776 4.320 -0.005 0.000 0.258 169 K C -0.567 176.139 176.600 0.177 0.000 0.944 169 K CA -0.803 55.605 56.287 0.202 0.000 0.823 169 K CB 1.522 34.118 32.500 0.160 0.000 1.113 169 K HN 0.622 nan 8.250 nan 0.000 0.431 170 I N 2.915 123.582 120.570 0.162 0.000 2.312 170 I HA 0.216 4.383 4.170 -0.005 0.000 0.290 170 I C -0.309 175.872 176.117 0.107 0.000 1.008 170 I CA -0.625 60.741 61.300 0.111 0.000 1.226 170 I CB 0.467 38.516 38.000 0.081 0.000 1.371 170 I HN 0.395 nan 8.210 nan 0.000 0.468 171 C N 3.818 123.192 119.300 0.123 0.000 2.381 171 C HA 0.601 5.058 4.460 -0.005 0.000 0.328 171 C C 1.124 176.227 174.990 0.188 0.000 1.190 171 C CA -0.535 58.560 59.018 0.128 0.000 1.369 171 C CB 0.665 28.471 27.740 0.110 0.000 2.029 171 C HN 1.088 nan 8.230 nan 0.000 0.448 172 G N 2.023 110.908 108.800 0.142 0.000 2.179 172 G HA2 0.132 4.089 3.960 -0.005 0.000 0.257 172 G HA3 0.132 4.089 3.960 -0.005 0.000 0.257 172 G C 1.064 176.007 174.900 0.071 0.000 1.010 172 G CA 0.994 46.196 45.100 0.169 0.000 0.736 172 G HN 2.497 nan 8.290 nan 0.000 0.513 173 G N -2.987 105.790 108.800 -0.038 0.000 2.176 173 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.253 173 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.253 173 G C 0.232 174.888 174.900 -0.406 0.000 0.979 173 G CA 0.591 45.538 45.100 -0.254 0.000 0.641 173 G HN 1.223 nan 8.290 nan 0.000 0.530 174 W N 0.489 121.735 121.300 -0.090 0.000 2.627 174 W HA 0.671 5.329 4.660 -0.005 0.000 0.339 174 W C 0.527 176.991 176.519 -0.092 0.000 1.058 174 W CA -1.011 56.272 57.345 -0.103 0.000 1.223 174 W CB 0.932 30.351 29.460 -0.069 0.000 1.389 174 W HN 0.240 nan 8.180 nan 0.000 0.541 175 Q N 3.089 122.981 119.800 0.153 0.000 2.313 175 Q HA 0.227 4.564 4.340 -0.005 0.000 0.266 175 Q C -0.596 175.467 176.000 0.105 0.000 0.989 175 Q CA 0.251 56.123 55.803 0.115 0.000 0.890 175 Q CB 0.541 29.341 28.738 0.104 0.000 1.200 175 Q HN 0.316 nan 8.270 nan 0.000 0.396 176 M N 3.180 122.837 119.600 0.096 0.000 2.456 176 M HA 0.378 4.855 4.480 -0.005 0.000 0.324 176 M C -1.108 175.207 176.300 0.024 0.000 1.124 176 M CA -0.685 54.635 55.300 0.034 0.000 0.959 176 M CB 1.788 34.419 32.600 0.052 0.000 1.692 176 M HN 0.605 nan 8.290 nan 0.000 0.444 177 E N 1.682 121.821 120.200 -0.102 0.000 2.175 177 E HA 0.480 4.827 4.350 -0.005 0.000 0.278 177 E C -0.744 175.852 176.600 -0.007 0.000 0.969 177 E CA -0.450 55.859 56.400 -0.152 0.000 0.796 177 E CB 1.551 30.910 29.700 -0.570 0.000 1.104 177 E HN 0.249 nan 8.360 nan 0.000 0.395 178 E N 0.862 121.138 120.200 0.127 0.000 2.312 178 E HA 0.519 4.866 4.350 -0.005 0.000 0.267 178 E C -0.809 175.872 176.600 0.134 0.000 0.894 178 E CA -1.148 55.309 56.400 0.096 0.000 0.773 178 E CB 1.927 31.692 29.700 0.108 0.000 1.241 178 E HN 0.532 nan 8.360 nan 0.000 0.432 179 A N 1.509 124.355 122.820 0.043 0.000 2.520 179 A HA 0.011 4.328 4.320 -0.005 0.000 0.245 179 A C 0.179 177.901 177.584 0.230 0.000 1.072 179 A CA 0.073 52.124 52.037 0.023 0.000 0.761 179 A CB -0.230 18.588 19.000 -0.303 0.000 1.004 179 A HN 0.507 nan 8.150 nan 0.000 0.499 180 D N 1.911 122.526 120.400 0.359 0.000 2.517 180 D HA 0.159 4.796 4.640 -0.005 0.000 0.220 180 D C -0.330 176.331 176.300 0.601 0.000 1.158 180 D CA -0.160 54.080 54.000 0.401 0.000 0.992 180 D CB 0.228 41.205 40.800 0.295 0.000 1.058 180 D HN 0.389 nan 8.370 nan 0.000 0.516 181 D N 3.692 124.405 120.400 0.522 0.000 2.688 181 D HA -0.035 4.602 4.640 -0.005 0.000 0.228 181 D C 1.131 177.597 176.300 0.277 0.000 1.116 181 D CA -0.521 53.740 54.000 0.434 0.000 1.023 181 D CB -0.199 40.820 40.800 0.364 0.000 1.100 181 D HN 0.551 nan 8.370 nan 0.000 0.487 182 W N 1.787 123.149 121.300 0.104 0.000 2.525 182 W HA -0.026 4.631 4.660 -0.005 0.000 0.259 182 W C 0.051 176.631 176.519 0.103 0.000 1.253 182 W CA 0.093 57.506 57.345 0.113 0.000 1.262 182 W CB -0.683 28.844 29.460 0.112 0.000 1.122 182 W HN 0.184 nan 8.180 nan 0.000 0.607 183 L N 1.058 121.965 121.223 -0.527 0.000 2.667 183 L HA 0.221 4.558 4.340 -0.005 0.000 0.232 183 L C 2.693 179.403 176.870 -0.266 0.000 1.138 183 L CA -0.134 54.351 54.840 -0.591 0.000 0.921 183 L CB -0.554 40.994 42.059 -0.851 0.000 1.180 183 L HN -0.118 nan 8.230 nan 0.000 0.487 184 R N 0.635 121.042 120.500 -0.155 0.000 2.113 184 R HA -0.225 4.112 4.340 -0.005 0.000 0.244 184 R C 1.109 177.211 176.300 -0.330 0.000 1.142 184 R CA 2.089 58.047 56.100 -0.235 0.000 0.953 184 R CB -0.142 30.009 30.300 -0.248 0.000 0.860 184 R HN 0.317 nan 8.270 nan 0.000 0.438 185 Y N -0.354 119.962 120.300 0.026 0.000 2.524 185 Y HA 0.333 4.880 4.550 -0.005 0.000 0.266 185 Y C 0.769 176.632 175.900 -0.063 0.000 1.180 185 Y CA 0.394 58.498 58.100 0.006 0.000 1.244 185 Y CB 0.887 39.455 38.460 0.180 0.000 1.125 185 Y HN 0.447 nan 8.280 nan 0.000 0.524 186 G N 1.391 110.213 108.800 0.037 0.000 2.746 186 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.685 186 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.685 186 G C -1.106 173.846 174.900 0.087 0.000 1.350 186 G CA -0.763 44.328 45.100 -0.014 0.000 0.837 186 G HN 0.277 nan 8.290 nan 0.000 0.564 187 N N 1.051 119.758 118.700 0.011 0.000 2.569 187 N HA 0.563 5.300 4.740 -0.005 0.000 0.254 187 N C -0.760 174.766 175.510 0.027 0.000 1.004 187 N CA -2.026 51.067 53.050 0.073 0.000 0.904 187 N CB 1.952 40.427 38.487 -0.020 0.000 1.165 187 N HN 0.253 nan 8.380 nan 0.000 0.513 188 P HA 0.049 nan 4.420 nan 0.000 0.237 188 P C 0.529 177.519 177.300 -0.516 0.000 1.178 188 P CA 0.589 63.404 63.100 -0.475 0.000 0.766 188 P CB 0.094 31.224 31.700 -0.949 0.000 0.876 189 W N 1.804 123.127 121.300 0.039 0.000 2.576 189 W HA 0.070 4.727 4.660 -0.005 0.000 0.275 189 W C 1.263 177.818 176.519 0.060 0.000 1.241 189 W CA -0.324 57.032 57.345 0.019 0.000 1.328 189 W CB -0.234 29.238 29.460 0.021 0.000 1.092 189 W HN -0.037 nan 8.180 nan 0.000 0.586 190 E N 1.859 122.241 120.200 0.303 0.000 2.349 190 E HA 0.249 4.596 4.350 -0.005 0.000 0.265 190 E C -0.567 176.205 176.600 0.287 0.000 1.064 190 E CA -0.618 55.966 56.400 0.306 0.000 0.886 190 E CB 1.160 31.063 29.700 0.339 0.000 1.036 190 E HN -0.318 nan 8.360 nan 0.000 0.413 191 K N 1.754 122.344 120.400 0.317 0.000 2.425 191 K HA 0.394 4.711 4.320 -0.005 0.000 0.259 191 K C -1.103 175.534 176.600 0.062 0.000 0.978 191 K CA -0.485 55.927 56.287 0.209 0.000 0.883 191 K CB 1.372 34.018 32.500 0.244 0.000 1.110 191 K HN 0.651 nan 8.250 nan 0.000 0.436 192 A N 4.426 127.195 122.820 -0.085 0.000 2.520 192 A HA 0.260 4.577 4.320 -0.005 0.000 0.245 192 A C -0.229 177.157 177.584 -0.329 0.000 1.072 192 A CA -0.020 51.708 52.037 -0.515 0.000 0.761 192 A CB 0.167 18.875 19.000 -0.488 0.000 1.004 192 A HN 0.670 nan 8.150 nan 0.000 0.499 193 R N 3.529 123.815 120.500 -0.357 0.000 2.983 193 R HA 0.206 4.543 4.340 -0.005 0.000 0.300 193 R C -2.308 173.864 176.300 -0.213 0.000 1.367 193 R CA -1.795 54.175 56.100 -0.217 0.000 1.564 193 R CB 0.635 30.945 30.300 0.016 0.000 1.314 193 R HN 0.575 nan 8.270 nan 0.000 0.622 194 P HA -0.177 nan 4.420 nan 0.000 0.222 194 P C 0.944 178.161 177.300 -0.138 0.000 1.147 194 P CA 1.066 64.085 63.100 -0.135 0.000 0.790 194 P CB 0.381 32.009 31.700 -0.120 0.000 0.780 195 E N 0.251 120.266 120.200 -0.309 0.000 2.268 195 E HA -0.153 4.194 4.350 -0.005 0.000 0.195 195 E C 1.051 177.488 176.600 -0.271 0.000 0.995 195 E CA 0.927 57.094 56.400 -0.387 0.000 0.836 195 E CB -1.077 28.232 29.700 -0.650 0.000 0.763 195 E HN 0.377 nan 8.360 nan 0.000 0.491 196 F N 1.854 121.822 119.950 0.029 0.000 2.668 196 F HA 0.219 4.743 4.527 -0.005 0.000 0.297 196 F C 0.519 176.415 175.800 0.159 0.000 1.124 196 F CA -0.669 57.377 58.000 0.077 0.000 1.353 196 F CB 0.575 39.611 39.000 0.061 0.000 0.992 196 F HN -0.275 nan 8.300 nan 0.000 0.524 197 T N 3.185 117.890 114.554 0.252 0.000 2.928 197 T HA 0.297 4.644 4.350 -0.005 0.000 0.305 197 T C -0.028 174.785 174.700 0.189 0.000 1.035 197 T CA 0.435 62.681 62.100 0.243 0.000 1.145 197 T CB 0.670 69.630 68.868 0.152 0.000 0.963 197 T HN 0.081 nan 8.240 nan 0.000 0.545 198 L N 5.216 126.520 121.223 0.135 0.000 2.354 198 L HA 0.530 4.867 4.340 -0.005 0.000 0.264 198 L C -2.265 174.561 176.870 -0.073 0.000 1.008 198 L CA -2.625 52.217 54.840 0.003 0.000 0.819 198 L CB 2.493 44.494 42.059 -0.096 0.000 1.339 198 L HN 0.394 nan 8.230 nan 0.000 0.420 199 P HA 0.254 nan 4.420 nan 0.000 0.285 199 P C -1.096 176.048 177.300 -0.259 0.000 1.259 199 P CA -0.335 62.664 63.100 -0.168 0.000 0.794 199 P CB 1.843 33.440 31.700 -0.171 0.000 0.940 200 V N 4.411 124.153 119.914 -0.287 0.000 2.555 200 V HA 0.341 4.458 4.120 -0.005 0.000 0.302 200 V C 0.238 176.054 176.094 -0.464 0.000 1.038 200 V CA -0.613 61.497 62.300 -0.317 0.000 0.887 200 V CB 1.447 33.144 31.823 -0.211 0.000 0.991 200 V HN 0.601 nan 8.190 nan 0.000 0.434 201 H N 3.681 122.530 119.070 -0.368 0.000 2.472 201 H HA 0.615 5.168 4.556 -0.005 0.000 0.338 201 H C -1.293 173.655 175.328 -0.633 0.000 1.133 201 H CA -0.166 55.584 56.048 -0.497 0.000 1.216 201 H CB 1.931 31.197 29.762 -0.827 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.400 120.369 119.950 0.031 0.000 2.603 202 F HA 0.216 4.740 4.527 -0.005 0.000 0.317 202 F C -0.180 175.717 175.800 0.162 0.000 1.066 202 F CA -0.534 57.499 58.000 0.056 0.000 0.941 202 F CB 1.086 40.045 39.000 -0.067 0.000 1.291 202 F HN 0.555 nan 8.300 nan 0.000 0.472 203 Y N 0.227 120.802 120.300 0.460 0.000 2.896 203 Y HA -0.038 4.509 4.550 -0.005 0.000 0.466 203 Y C 1.417 177.556 175.900 0.397 0.000 1.197 203 Y CA 0.733 59.032 58.100 0.331 0.000 2.513 203 Y CB -1.914 36.672 38.460 0.210 0.000 1.232 203 Y HN 1.260 nan 8.280 nan 0.000 0.632 204 G N 0.725 109.794 108.800 0.449 0.000 2.562 204 G HA2 0.070 4.027 3.960 -0.005 0.000 0.250 204 G HA3 0.070 4.027 3.960 -0.005 0.000 0.250 204 G C -0.517 174.597 174.900 0.357 0.000 1.269 204 G CA 1.137 46.428 45.100 0.319 0.000 0.919 204 G HN 1.386 nan 8.290 nan 0.000 0.574 205 R N -2.613 118.101 120.500 0.356 0.000 2.716 205 R HA 0.676 5.012 4.340 -0.005 0.000 0.271 205 R C -1.345 175.095 176.300 0.234 0.000 1.028 205 R CA -1.001 55.248 56.100 0.248 0.000 0.883 205 R CB 1.238 31.630 30.300 0.153 0.000 1.250 205 R HN 0.887 nan 8.270 nan 0.000 0.465 206 V N 1.083 121.049 119.914 0.086 0.000 2.427 206 V HA 0.339 4.456 4.120 -0.005 0.000 0.286 206 V C -0.208 175.829 176.094 -0.095 0.000 1.034 206 V CA -0.545 61.723 62.300 -0.053 0.000 0.893 206 V CB 1.409 33.112 31.823 -0.200 0.000 0.982 206 V HN 0.687 nan 8.190 nan 0.000 0.452 207 E N 3.644 123.763 120.200 -0.135 0.000 2.129 207 E HA 0.385 4.732 4.350 -0.005 0.000 0.268 207 E C -0.987 175.497 176.600 -0.193 0.000 0.900 207 E CA -0.624 55.721 56.400 -0.092 0.000 0.755 207 E CB 1.099 30.790 29.700 -0.015 0.000 1.117 207 E HN 0.692 nan 8.360 nan 0.000 0.410 208 H N 2.652 121.735 119.070 0.021 0.000 2.652 208 H HA 0.215 4.768 4.556 -0.005 0.000 0.298 208 H C 0.437 175.772 175.328 0.012 0.000 1.076 208 H CA -0.052 56.004 56.048 0.013 0.000 1.360 208 H CB 1.114 30.878 29.762 0.003 0.000 1.421 208 H HN 0.635 nan 8.280 nan 0.000 0.464 209 T N -1.482 113.130 114.554 0.098 0.000 2.570 209 T HA 0.090 4.437 4.350 -0.005 0.000 0.239 209 T C 1.543 176.272 174.700 0.048 0.000 0.829 209 T CA -0.087 62.049 62.100 0.060 0.000 1.264 209 T CB 0.773 69.662 68.868 0.035 0.000 1.546 209 T HN 0.356 nan 8.240 nan 0.000 0.465 210 S N -0.114 115.606 115.700 0.033 0.000 2.356 210 S HA -0.122 4.345 4.470 -0.005 0.000 0.223 210 S C 1.825 176.441 174.600 0.028 0.000 1.032 210 S CA 1.394 59.610 58.200 0.027 0.000 1.005 210 S CB -0.777 62.436 63.200 0.021 0.000 0.867 210 S HN 0.581 nan 8.310 nan 0.000 0.449 211 Q N 0.237 120.053 119.800 0.026 0.000 2.424 211 Q HA 0.286 4.623 4.340 -0.005 0.000 0.204 211 Q C 1.173 177.193 176.000 0.033 0.000 0.933 211 Q CA 0.620 56.438 55.803 0.025 0.000 0.929 211 Q CB 0.778 29.527 28.738 0.018 0.000 1.037 211 Q HN 0.666 nan 8.270 nan 0.000 0.511 212 G N 0.667 109.493 108.800 0.043 0.000 2.301 212 G HA2 0.003 3.960 3.960 -0.005 0.000 0.194 212 G HA3 0.003 3.960 3.960 -0.005 0.000 0.194 212 G C -1.215 173.716 174.900 0.051 0.000 1.266 212 G CA -0.503 44.636 45.100 0.065 0.000 1.210 212 G HN 0.344 nan 8.290 nan 0.000 0.524 213 A N 0.013 122.853 122.820 0.034 0.000 2.371 213 A HA 0.725 5.042 4.320 -0.005 0.000 0.257 213 A C 0.205 177.736 177.584 -0.088 0.000 1.089 213 A CA 0.553 52.522 52.037 -0.113 0.000 0.794 213 A CB 0.516 19.431 19.000 -0.140 0.000 1.029 213 A HN 0.728 nan 8.150 nan 0.000 0.488 214 K N 0.929 121.259 120.400 -0.116 0.000 2.565 214 K HA 0.178 4.495 4.320 -0.005 0.000 0.249 214 K C -1.871 174.759 176.600 0.050 0.000 0.958 214 K CA -0.339 55.933 56.287 -0.024 0.000 0.806 214 K CB 1.799 34.290 32.500 -0.016 0.000 1.194 214 K HN 0.733 nan 8.250 nan 0.000 0.434 215 W N 5.833 127.049 121.300 -0.139 0.000 2.342 215 W HA 0.333 4.990 4.660 -0.005 0.000 0.310 215 W C -0.620 175.834 176.519 -0.108 0.000 1.128 215 W CA -0.734 56.536 57.345 -0.125 0.000 1.322 215 W CB 0.184 29.561 29.460 -0.138 0.000 1.251 215 W HN 0.298 nan 8.180 nan 0.000 0.439 216 V N 2.751 122.731 119.914 0.111 0.000 3.126 216 V HA 0.602 4.719 4.120 -0.005 0.000 0.314 216 V C -0.107 175.974 176.094 -0.022 0.000 1.138 216 V CA -0.976 61.310 62.300 -0.023 0.000 1.034 216 V CB 2.002 33.835 31.823 0.016 0.000 1.075 216 V HN 0.462 nan 8.190 nan 0.000 0.442 217 D N 0.012 120.397 120.400 -0.026 0.000 2.837 217 D HA -0.146 4.491 4.640 -0.005 0.000 0.230 217 D C 0.600 176.909 176.300 0.015 0.000 1.152 217 D CA 1.514 55.521 54.000 0.011 0.000 0.736 217 D CB -1.811 39.018 40.800 0.048 0.000 1.084 217 D HN 1.285 nan 8.370 nan 0.000 0.429 218 T N -2.687 111.826 114.554 -0.068 0.000 2.849 218 T HA 0.450 4.797 4.350 -0.005 0.000 0.284 218 T C 0.454 175.194 174.700 0.067 0.000 1.004 218 T CA -0.653 61.412 62.100 -0.058 0.000 1.021 218 T CB 1.765 70.440 68.868 -0.321 0.000 1.013 218 T HN 0.045 nan 8.240 nan 0.000 0.527 219 Q N 0.630 120.526 119.800 0.160 0.000 2.271 219 Q HA 0.562 4.899 4.340 -0.005 0.000 0.258 219 Q C -0.917 175.168 176.000 0.142 0.000 0.936 219 Q CA -0.865 55.042 55.803 0.173 0.000 0.909 219 Q CB 1.932 30.830 28.738 0.266 0.000 1.253 219 Q HN 0.510 nan 8.270 nan 0.000 0.440 220 V N 3.250 123.190 119.914 0.044 0.000 2.481 220 V HA 0.358 4.475 4.120 -0.005 0.000 0.286 220 V C -0.255 175.878 176.094 0.064 0.000 1.042 220 V CA -0.572 61.683 62.300 -0.075 0.000 0.928 220 V CB 1.587 33.310 31.823 -0.166 0.000 0.986 220 V HN 0.494 nan 8.190 nan 0.000 0.462 221 V N 6.043 126.031 119.914 0.123 0.000 2.487 221 V HA 0.446 4.563 4.120 -0.005 0.000 0.298 221 V C -0.111 176.094 176.094 0.185 0.000 1.028 221 V CA -0.618 61.802 62.300 0.200 0.000 0.860 221 V CB 1.779 33.808 31.823 0.343 0.000 0.991 221 V HN 0.629 nan 8.190 nan 0.000 0.427 222 L N 3.689 125.014 121.223 0.170 0.000 2.371 222 L HA 0.663 5.000 4.340 -0.005 0.000 0.272 222 L C 0.581 177.656 176.870 0.341 0.000 1.124 222 L CA -0.201 54.742 54.840 0.171 0.000 0.816 222 L CB 1.137 43.275 42.059 0.131 0.000 1.129 222 L HN 0.766 nan 8.230 nan 0.000 0.448 223 A N 5.287 128.244 122.820 0.229 0.000 2.277 223 A HA 0.521 4.838 4.320 -0.005 0.000 0.318 223 A C -0.393 177.475 177.584 0.474 0.000 1.339 223 A CA -0.481 51.718 52.037 0.270 0.000 0.875 223 A CB 0.757 19.437 19.000 -0.534 0.000 1.158 223 A HN 0.787 nan 8.150 nan 0.000 0.514 224 M N 6.077 126.007 119.600 0.550 0.000 2.113 224 M HA 0.403 4.880 4.480 -0.005 0.000 0.352 224 M C -2.508 174.077 176.300 0.476 0.000 1.170 224 M CA -2.079 53.488 55.300 0.444 0.000 1.053 224 M CB 1.591 34.379 32.600 0.314 0.000 1.601 224 M HN 0.328 nan 8.290 nan 0.000 0.459 225 P HA 0.202 nan 4.420 nan 0.000 0.284 225 P C -1.912 175.349 177.300 -0.064 0.000 1.253 225 P CA 0.052 63.081 63.100 -0.118 0.000 0.800 225 P CB 0.422 31.877 31.700 -0.409 0.000 0.961 226 Y N 0.850 121.094 120.300 -0.093 0.000 2.328 226 Y HA 0.322 4.869 4.550 -0.005 0.000 0.336 226 Y C 0.247 176.136 175.900 -0.018 0.000 0.960 226 Y CA -0.304 57.796 58.100 -0.000 0.000 1.134 226 Y CB 1.240 39.734 38.460 0.056 0.000 1.166 226 Y HN 0.222 nan 8.280 nan 0.000 0.464 227 D N 2.014 122.522 120.400 0.180 0.000 2.193 227 D HA 0.387 5.024 4.640 -0.005 0.000 0.244 227 D C -0.589 175.940 176.300 0.382 0.000 1.064 227 D CA -0.220 53.924 54.000 0.239 0.000 0.845 227 D CB 1.710 42.670 40.800 0.267 0.000 1.148 227 D HN 0.369 nan 8.370 nan 0.000 0.464 228 T N 3.386 118.071 114.554 0.218 0.000 2.807 228 T HA 0.452 4.799 4.350 -0.005 0.000 0.279 228 T C -2.502 172.052 174.700 -0.242 0.000 0.993 228 T CA -1.511 60.613 62.100 0.041 0.000 0.970 228 T CB 1.957 70.845 68.868 0.032 0.000 0.950 228 T HN 0.153 nan 8.240 nan 0.000 0.441 229 P HA 0.258 nan 4.420 nan 0.000 0.271 229 P C -0.959 176.037 177.300 -0.506 0.000 1.216 229 P CA -0.328 62.124 63.100 -1.080 0.000 0.776 229 P CB 0.698 31.588 31.700 -1.349 0.000 0.881 230 V N 5.168 124.847 119.914 -0.391 0.000 2.340 230 V HA 0.260 4.377 4.120 -0.005 0.000 0.277 230 V C -2.132 173.849 176.094 -0.188 0.000 1.017 230 V CA -1.866 60.293 62.300 -0.235 0.000 0.820 230 V CB 1.435 33.163 31.823 -0.159 0.000 1.028 230 V HN 0.533 nan 8.190 nan 0.000 0.436 231 P HA 0.280 nan 4.420 nan 0.000 0.286 231 P C 0.390 177.650 177.300 -0.066 0.000 1.269 231 P CA 0.293 63.318 63.100 -0.125 0.000 0.787 231 P CB 1.588 33.208 31.700 -0.133 0.000 0.920 232 G N 2.351 111.129 108.800 -0.037 0.000 2.599 232 G HA2 0.104 4.061 3.960 -0.005 0.000 0.264 232 G HA3 0.104 4.061 3.960 -0.005 0.000 0.264 232 G C -1.127 173.793 174.900 0.034 0.000 1.200 232 G CA -0.568 44.538 45.100 0.010 0.000 0.896 232 G HN 0.510 nan 8.290 nan 0.000 0.536 233 Y N 1.120 121.387 120.300 -0.055 0.000 2.640 233 Y HA 0.231 4.778 4.550 -0.005 0.000 0.355 233 Y C 1.317 177.183 175.900 -0.056 0.000 1.088 233 Y CA -0.174 57.889 58.100 -0.063 0.000 1.443 233 Y CB -0.174 38.246 38.460 -0.066 0.000 1.224 233 Y HN 0.725 nan 8.280 nan 0.000 0.516 234 R N 2.851 123.102 120.500 -0.416 0.000 3.627 234 R HA -0.322 4.015 4.340 -0.005 0.000 0.281 234 R C 0.077 176.253 176.300 -0.207 0.000 1.140 234 R CA 1.299 57.157 56.100 -0.404 0.000 0.761 234 R CB -2.221 27.670 30.300 -0.682 0.000 1.181 234 R HN 0.936 nan 8.270 nan 0.000 0.472 235 N N -0.535 118.091 118.700 -0.123 0.000 2.177 235 N HA 0.040 4.777 4.740 -0.005 0.000 0.218 235 N C -0.063 175.403 175.510 -0.073 0.000 1.182 235 N CA -0.491 52.515 53.050 -0.074 0.000 0.882 235 N CB 0.458 38.926 38.487 -0.031 0.000 1.052 235 N HN 0.094 nan 8.380 nan 0.000 0.519 236 N N -0.191 118.461 118.700 -0.079 0.000 2.753 236 N HA -0.135 4.602 4.740 -0.005 0.000 0.251 236 N C -0.975 174.498 175.510 -0.063 0.000 1.097 236 N CA 0.624 53.635 53.050 -0.066 0.000 0.786 236 N CB -1.339 37.108 38.487 -0.067 0.000 1.137 236 N HN 0.198 nan 8.380 nan 0.000 0.566 237 V N 1.092 120.974 119.914 -0.052 0.000 2.465 237 V HA 0.420 4.537 4.120 -0.005 0.000 0.279 237 V C 0.644 176.723 176.094 -0.025 0.000 1.045 237 V CA -0.487 61.792 62.300 -0.034 0.000 0.938 237 V CB 2.105 33.933 31.823 0.008 0.000 0.986 237 V HN -0.031 nan 8.190 nan 0.000 0.467 238 V N 5.318 125.231 119.914 -0.001 0.000 2.419 238 V HA 0.432 4.549 4.120 -0.005 0.000 0.287 238 V C -0.076 176.058 176.094 0.066 0.000 1.017 238 V CA -0.833 61.449 62.300 -0.030 0.000 0.844 238 V CB 1.386 33.163 31.823 -0.075 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 2.038 120.739 118.700 0.001 0.000 2.431 239 N HA 0.572 5.309 4.740 -0.005 0.000 0.289 239 N C -0.035 175.505 175.510 0.050 0.000 1.277 239 N CA -0.291 52.778 53.050 0.031 0.000 0.972 239 N CB 0.953 39.390 38.487 -0.083 0.000 1.143 239 N HN 0.598 nan 8.380 nan 0.000 0.578 240 T N 0.639 115.218 114.554 0.042 0.000 2.848 240 T HA 0.369 4.716 4.350 -0.005 0.000 0.285 240 T C -0.357 174.326 174.700 -0.028 0.000 0.995 240 T CA -0.512 61.686 62.100 0.164 0.000 0.970 240 T CB 1.177 70.274 68.868 0.381 0.000 0.976 240 T HN 0.290 nan 8.240 nan 0.000 0.441 241 M N 3.730 123.274 119.600 -0.093 0.000 2.088 241 M HA 0.487 4.964 4.480 -0.005 0.000 0.346 241 M C -0.347 175.804 176.300 -0.247 0.000 1.111 241 M CA -0.716 54.434 55.300 -0.251 0.000 1.017 241 M CB 0.630 33.025 32.600 -0.341 0.000 1.568 241 M HN 0.496 nan 8.290 nan 0.000 0.445 242 R N 5.884 126.113 120.500 -0.452 0.000 2.255 242 R HA 0.626 4.963 4.340 -0.005 0.000 0.326 242 R C -1.928 174.055 176.300 -0.528 0.000 0.986 242 R CA -0.410 55.354 56.100 -0.560 0.000 0.847 242 R CB 0.833 30.571 30.300 -0.938 0.000 1.111 242 R HN 0.808 nan 8.270 nan 0.000 0.452 243 L N 5.248 126.273 121.223 -0.330 0.000 2.356 243 L HA 0.485 4.822 4.340 -0.005 0.000 0.277 243 L C -0.921 175.908 176.870 -0.069 0.000 0.996 243 L CA -0.906 53.849 54.840 -0.141 0.000 0.822 243 L CB 1.548 43.617 42.059 0.016 0.000 1.256 243 L HN 0.608 nan 8.230 nan 0.000 0.413 244 W N 1.932 123.346 121.300 0.190 0.000 2.315 244 W HA 0.468 5.125 4.660 -0.005 0.000 0.316 244 W C 0.622 177.379 176.519 0.397 0.000 1.211 244 W CA -0.169 57.310 57.345 0.222 0.000 1.201 244 W CB 1.414 30.826 29.460 -0.079 0.000 1.184 244 W HN 0.350 nan 8.180 nan 0.000 0.544 245 S N 2.004 118.122 115.700 0.696 0.000 2.482 245 S HA 0.760 5.227 4.470 -0.005 0.000 0.303 245 S C -0.403 174.551 174.600 0.591 0.000 1.091 245 S CA -0.751 57.767 58.200 0.530 0.000 1.057 245 S CB 0.623 64.062 63.200 0.398 0.000 1.031 245 S HN 0.543 nan 8.310 nan 0.000 0.485 246 A N 4.555 127.552 122.820 0.295 0.000 2.409 246 A HA 0.537 4.854 4.320 -0.005 0.000 0.267 246 A C 0.042 177.716 177.584 0.150 0.000 1.127 246 A CA -0.233 51.862 52.037 0.096 0.000 0.795 246 A CB 0.220 19.023 19.000 -0.329 0.000 1.061 246 A HN 0.752 nan 8.150 nan 0.000 0.502 247 K N 2.113 122.625 120.400 0.186 0.000 2.427 247 K HA 0.593 4.910 4.320 -0.005 0.000 0.252 247 K C -0.282 176.382 176.600 0.106 0.000 0.931 247 K CA -0.573 55.799 56.287 0.141 0.000 0.793 247 K CB 1.907 34.506 32.500 0.165 0.000 1.211 247 K HN 0.875 nan 8.250 nan 0.000 0.426 248 A N 4.882 127.746 122.820 0.073 0.000 2.498 248 A HA 0.286 4.603 4.320 -0.005 0.000 0.239 248 A C -2.144 175.474 177.584 0.057 0.000 1.068 248 A CA -0.851 51.220 52.037 0.056 0.000 0.766 248 A CB -0.393 18.630 19.000 0.037 0.000 1.003 248 A HN 0.493 nan 8.150 nan 0.000 0.497 249 P HA 0.076 nan 4.420 nan 0.000 0.272 249 P C -0.131 177.191 177.300 0.036 0.000 1.230 249 P CA -0.208 62.916 63.100 0.039 0.000 0.788 249 P CB 0.469 32.185 31.700 0.027 0.000 0.949 250 N N 0.479 119.199 118.700 0.034 0.000 2.084 250 N HA -0.125 4.612 4.740 -0.005 0.000 0.190 250 N C 0.543 176.074 175.510 0.035 0.000 1.030 250 N CA 1.541 54.611 53.050 0.034 0.000 0.849 250 N CB -0.380 38.125 38.487 0.030 0.000 1.012 250 N HN 0.579 nan 8.380 nan 0.000 0.423 259 V N 2.314 122.270 119.914 0.071 0.000 2.229 259 V HA -0.072 4.045 4.120 -0.005 0.000 0.243 259 V C 2.436 178.595 176.094 0.108 0.000 1.042 259 V CA 2.522 64.880 62.300 0.098 0.000 1.000 259 V CB -0.945 30.915 31.823 0.062 0.000 0.637 259 V HN 0.868 nan 8.190 nan 0.000 0.446 260 G N -0.060 108.778 108.800 0.063 0.000 2.469 260 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.219 260 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.219 260 G C 1.602 176.524 174.900 0.038 0.000 1.150 260 G CA 1.233 46.357 45.100 0.040 0.000 0.763 260 G HN 0.628 nan 8.290 nan 0.000 0.561 261 G N 0.082 108.916 108.800 0.055 0.000 2.511 261 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.216 261 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.216 261 G C 1.632 176.574 174.900 0.071 0.000 1.218 261 G CA 1.291 46.424 45.100 0.055 0.000 0.788 261 G HN 0.454 nan 8.290 nan 0.000 0.560 262 Y N 1.387 121.689 120.300 0.004 0.000 2.081 262 Y HA -0.205 4.342 4.550 -0.005 0.000 0.280 262 Y C 2.629 178.532 175.900 0.006 0.000 1.163 262 Y CA 1.566 59.669 58.100 0.005 0.000 1.135 262 Y CB -0.255 38.208 38.460 0.005 0.000 0.970 262 Y HN 0.129 nan 8.280 nan 0.000 0.498 263 I N 0.479 120.937 120.570 -0.187 0.000 2.163 263 I HA -0.303 3.864 4.170 -0.005 0.000 0.243 263 I C 2.414 178.405 176.117 -0.209 0.000 1.085 263 I CA 1.876 63.015 61.300 -0.269 0.000 1.347 263 I CB -1.492 36.473 38.000 -0.058 0.000 1.044 263 I HN 0.349 nan 8.210 nan 0.000 0.408 264 Q N 1.163 120.899 119.800 -0.107 0.000 2.096 264 Q HA -0.121 4.216 4.340 -0.005 0.000 0.204 264 Q C 2.240 178.186 176.000 -0.091 0.000 0.982 264 Q CA 2.262 58.020 55.803 -0.075 0.000 0.850 264 Q CB -0.393 28.324 28.738 -0.035 0.000 0.901 264 Q HN 0.472 nan 8.270 nan 0.000 0.422 265 A N -0.739 122.018 122.820 -0.105 0.000 1.940 265 A HA -0.153 4.164 4.320 -0.005 0.000 0.219 265 A C 2.259 179.769 177.584 -0.123 0.000 1.176 265 A CA 1.749 53.733 52.037 -0.088 0.000 0.631 265 A CB -0.804 18.164 19.000 -0.054 0.000 0.814 265 A HN 0.273 nan 8.150 nan 0.000 0.446 266 V N 0.167 119.943 119.914 -0.230 0.000 2.358 266 V HA -0.223 3.894 4.120 -0.005 0.000 0.246 266 V C 2.513 178.536 176.094 -0.118 0.000 1.047 266 V CA 1.815 63.991 62.300 -0.206 0.000 1.035 266 V CB -0.741 30.878 31.823 -0.340 0.000 0.658 266 V HN 0.574 nan 8.190 nan 0.000 0.452 267 L N -0.259 120.897 121.223 -0.111 0.000 2.141 267 L HA -0.143 4.194 4.340 -0.005 0.000 0.209 267 L C 2.067 178.912 176.870 -0.042 0.000 1.094 267 L CA 1.270 56.072 54.840 -0.064 0.000 0.763 267 L CB -0.720 41.305 42.059 -0.056 0.000 0.908 267 L HN 0.316 nan 8.230 nan 0.000 0.437 268 D N 0.142 120.516 120.400 -0.044 0.000 2.371 268 D HA -0.083 4.554 4.640 -0.005 0.000 0.221 268 D C 2.162 178.453 176.300 -0.016 0.000 0.986 268 D CA 0.497 54.481 54.000 -0.026 0.000 0.899 268 D CB -0.016 40.769 40.800 -0.025 0.000 0.902 268 D HN 0.206 nan 8.370 nan 0.000 0.530 269 R N 0.406 120.895 120.500 -0.019 0.000 2.200 269 R HA -0.084 4.253 4.340 -0.005 0.000 0.234 269 R C 1.536 177.838 176.300 0.004 0.000 1.127 269 R CA 0.692 56.789 56.100 -0.004 0.000 0.989 269 R CB -0.089 30.209 30.300 -0.005 0.000 0.869 269 R HN 0.151 nan 8.270 nan 0.000 0.459 270 N N 0.775 119.476 118.700 0.001 0.000 2.223 270 N HA -0.141 4.596 4.740 -0.005 0.000 0.185 270 N C 1.713 177.228 175.510 0.007 0.000 1.016 270 N CA 1.056 54.111 53.050 0.009 0.000 0.863 270 N CB -0.166 38.326 38.487 0.010 0.000 0.983 270 N HN 0.244 nan 8.380 nan 0.000 0.429 271 L N 0.508 121.732 121.223 0.001 0.000 1.994 271 L HA -0.122 4.215 4.340 -0.005 0.000 0.208 271 L C 2.470 179.329 176.870 -0.017 0.000 1.071 271 L CA 1.398 56.236 54.840 -0.003 0.000 0.745 271 L CB -0.679 41.379 42.059 -0.003 0.000 0.892 271 L HN 0.104 nan 8.230 nan 0.000 0.431 272 A N -0.029 122.783 122.820 -0.013 0.000 1.908 272 A HA -0.219 4.098 4.320 -0.005 0.000 0.218 272 A C 2.139 179.691 177.584 -0.054 0.000 1.181 272 A CA 1.767 53.786 52.037 -0.029 0.000 0.627 272 A CB -0.480 18.529 19.000 0.014 0.000 0.818 272 A HN 0.500 nan 8.150 nan 0.000 0.445 273 E N -0.175 120.013 120.200 -0.019 0.000 2.358 273 E HA -0.091 4.256 4.350 -0.005 0.000 0.195 273 E C 1.137 177.731 176.600 -0.010 0.000 1.010 273 E CA 0.346 56.739 56.400 -0.011 0.000 0.856 273 E CB -0.140 29.575 29.700 0.026 0.000 0.795 273 E HN 0.489 nan 8.360 nan 0.000 0.504 274 N N 1.005 119.702 118.700 -0.005 0.000 2.443 274 N HA -0.104 4.633 4.740 -0.005 0.000 0.184 274 N C 1.606 177.121 175.510 0.008 0.000 1.037 274 N CA 0.630 53.693 53.050 0.022 0.000 0.896 274 N CB -0.055 38.445 38.487 0.022 0.000 0.959 274 N HN 0.262 nan 8.380 nan 0.000 0.442 275 I N 0.408 120.926 120.570 -0.086 0.000 2.194 275 I HA -0.249 3.918 4.170 -0.005 0.000 0.246 275 I C 1.397 177.480 176.117 -0.057 0.000 1.093 275 I CA 1.267 62.481 61.300 -0.143 0.000 1.355 275 I CB -0.205 37.558 38.000 -0.395 0.000 1.046 275 I HN 0.137 nan 8.210 nan 0.000 0.413 276 S N -0.467 115.193 115.700 -0.065 0.000 2.583 276 S HA 0.179 4.646 4.470 -0.005 0.000 0.239 276 S C 1.438 176.164 174.600 0.210 0.000 0.966 276 S CA -0.525 57.721 58.200 0.078 0.000 0.973 276 S CB 0.267 63.507 63.200 0.066 0.000 0.794 276 S HN 0.201 nan 8.310 nan 0.000 0.463 277 R N 1.283 121.915 120.500 0.219 0.000 2.062 277 R HA 0.267 4.604 4.340 -0.005 0.000 0.229 277 R C 0.403 176.960 176.300 0.428 0.000 1.128 277 R CA 1.196 57.470 56.100 0.290 0.000 0.960 277 R CB -0.279 30.165 30.300 0.239 0.000 0.855 277 R HN 0.404 nan 8.270 nan 0.000 0.432 278 V N 0.396 120.524 119.914 0.356 0.000 2.851 278 V HA 0.344 4.461 4.120 -0.005 0.000 0.307 278 V C -1.540 174.530 176.094 -0.040 0.000 1.129 278 V CA -1.392 61.040 62.300 0.221 0.000 0.932 278 V CB 1.739 33.626 31.823 0.106 0.000 1.024 278 V HN 0.166 nan 8.190 nan 0.000 0.426 279 L N 6.877 127.816 121.223 -0.474 0.000 2.455 279 L HA 0.410 4.747 4.340 -0.005 0.000 0.272 279 L C -0.819 175.879 176.870 -0.286 0.000 1.174 279 L CA 0.537 54.888 54.840 -0.815 0.000 0.869 279 L CB 0.296 41.786 42.059 -0.949 0.000 1.130 279 L HN 0.676 nan 8.230 nan 0.000 0.474 280 Y N 7.010 127.241 120.300 -0.116 0.000 2.537 280 Y HA 0.201 4.748 4.550 -0.005 0.000 0.339 280 Y C -1.374 174.528 175.900 0.004 0.000 1.066 280 Y CA -1.293 56.805 58.100 -0.002 0.000 1.357 280 Y CB 0.289 38.774 38.460 0.041 0.000 1.175 280 Y HN 0.577 nan 8.280 nan 0.000 0.525 281 P HA 0.009 nan 4.420 nan 0.000 0.243 281 P C -0.813 176.619 177.300 0.222 0.000 1.668 281 P CA 0.141 63.348 63.100 0.179 0.000 0.898 281 P CB -0.004 31.886 31.700 0.317 0.000 1.637 282 N N 1.111 119.945 118.700 0.224 0.000 2.498 282 N HA 0.186 4.923 4.740 -0.005 0.000 0.287 282 N C -0.692 174.960 175.510 0.236 0.000 1.097 282 N CA 0.090 53.298 53.050 0.264 0.000 0.973 282 N CB 1.189 39.865 38.487 0.315 0.000 1.153 282 N HN 0.049 nan 8.380 nan 0.000 0.472 283 D N 0.205 120.779 120.400 0.290 0.000 2.408 283 D HA 0.278 4.915 4.640 -0.005 0.000 0.243 283 D C -0.760 175.759 176.300 0.364 0.000 1.075 283 D CA -0.381 53.788 54.000 0.281 0.000 0.832 283 D CB 0.261 41.219 40.800 0.264 0.000 1.162 283 D HN 0.433 nan 8.370 nan 0.000 0.515 284 N N 2.410 121.287 118.700 0.294 0.000 2.727 284 N HA -0.248 4.489 4.740 -0.005 0.000 0.249 284 N C -1.453 174.292 175.510 0.392 0.000 1.048 284 N CA 0.739 53.951 53.050 0.271 0.000 0.714 284 N CB -0.867 37.725 38.487 0.176 0.000 0.959 284 N HN 0.358 nan 8.380 nan 0.000 0.544 285 F N 0.252 120.309 119.950 0.179 0.000 2.622 285 F HA 0.445 4.969 4.527 -0.005 0.000 0.318 285 F C -1.443 174.442 175.800 0.142 0.000 1.135 285 F CA -1.209 56.878 58.000 0.144 0.000 1.015 285 F CB 1.024 40.081 39.000 0.095 0.000 1.275 285 F HN -0.046 nan 8.300 nan 0.000 0.457 286 F N 5.824 125.295 119.950 -0.798 0.000 2.404 286 F HA 0.515 5.039 4.527 -0.005 0.000 0.354 286 F C -0.667 174.593 175.800 -0.900 0.000 1.122 286 F CA -0.241 57.352 58.000 -0.678 0.000 1.080 286 F CB 0.904 39.591 39.000 -0.522 0.000 1.131 286 F HN 0.573 nan 8.300 nan 0.000 0.471 287 E N 3.753 123.264 120.200 -1.148 0.000 2.129 287 E HA 0.353 4.700 4.350 -0.005 0.000 0.268 287 E C 0.160 175.980 176.600 -1.300 0.000 0.900 287 E CA -0.656 55.145 56.400 -0.999 0.000 0.755 287 E CB 1.460 30.963 29.700 -0.328 0.000 1.117 287 E HN 0.858 nan 8.360 nan 0.000 0.410 288 G N 5.263 113.249 108.800 -1.357 0.000 3.353 288 G HA2 -0.017 3.939 3.960 -0.005 0.000 0.247 288 G HA3 -0.017 3.939 3.960 -0.005 0.000 0.247 288 G C -0.017 174.830 174.900 -0.089 0.000 1.025 288 G CA -0.229 44.343 45.100 -0.881 0.000 1.863 288 G HN 0.224 nan 8.290 nan 0.000 0.635 289 K N 0.646 120.991 120.400 -0.092 0.000 2.322 289 K HA 0.089 4.406 4.320 -0.005 0.000 0.283 289 K C 1.046 177.741 176.600 0.158 0.000 1.042 289 K CA -0.340 55.964 56.287 0.028 0.000 0.958 289 K CB 1.884 34.331 32.500 -0.089 0.000 0.984 289 K HN 0.456 nan 8.250 nan 0.000 0.473 290 E N 2.166 122.439 120.200 0.121 0.000 2.118 290 E HA -0.219 4.128 4.350 -0.005 0.000 0.195 290 E C 1.554 178.154 176.600 0.001 0.000 0.992 290 E CA 0.989 57.415 56.400 0.043 0.000 0.804 290 E CB 0.173 29.907 29.700 0.057 0.000 0.741 290 E HN 0.416 nan 8.360 nan 0.000 0.458 291 L N 1.274 122.542 121.223 0.075 0.000 2.083 291 L HA -0.176 4.161 4.340 -0.005 0.000 0.209 291 L C 2.461 179.416 176.870 0.142 0.000 1.083 291 L CA 1.755 56.666 54.840 0.119 0.000 0.752 291 L CB -0.504 41.706 42.059 0.251 0.000 0.899 291 L HN 0.003 nan 8.230 nan 0.000 0.433 292 R N -0.515 120.012 120.500 0.045 0.000 2.081 292 R HA -0.176 4.161 4.340 -0.005 0.000 0.235 292 R C 2.129 178.478 176.300 0.082 0.000 1.131 292 R CA 1.972 58.071 56.100 -0.001 0.000 0.960 292 R CB -1.109 28.999 30.300 -0.321 0.000 0.856 292 R HN 0.404 nan 8.270 nan 0.000 0.436 293 L N 0.944 122.111 121.223 -0.094 0.000 2.083 293 L HA -0.111 4.226 4.340 -0.005 0.000 0.209 293 L C 1.710 178.513 176.870 -0.112 0.000 1.083 293 L CA 1.933 56.516 54.840 -0.429 0.000 0.752 293 L CB -0.423 41.061 42.059 -0.959 0.000 0.899 293 L HN 0.182 nan 8.230 nan 0.000 0.433 294 K N -1.003 119.369 120.400 -0.046 0.000 2.057 294 K HA -0.196 4.121 4.320 -0.005 0.000 0.207 294 K C 2.078 178.831 176.600 0.256 0.000 1.049 294 K CA 1.816 58.134 56.287 0.051 0.000 0.931 294 K CB -0.240 32.085 32.500 -0.292 0.000 0.714 294 K HN 0.497 nan 8.250 nan 0.000 0.440 295 Q N 0.769 120.691 119.800 0.203 0.000 2.096 295 Q HA -0.209 4.128 4.340 -0.005 0.000 0.204 295 Q C 2.012 178.220 176.000 0.347 0.000 0.982 295 Q CA 1.571 57.557 55.803 0.304 0.000 0.850 295 Q CB -0.070 28.867 28.738 0.330 0.000 0.901 295 Q HN 0.388 nan 8.270 nan 0.000 0.422 296 E N -0.204 120.156 120.200 0.266 0.000 2.051 296 E HA -0.214 4.133 4.350 -0.005 0.000 0.192 296 E C 1.764 178.492 176.600 0.213 0.000 0.991 296 E CA 1.093 57.635 56.400 0.236 0.000 0.799 296 E CB -0.164 29.658 29.700 0.203 0.000 0.748 296 E HN 0.328 nan 8.360 nan 0.000 0.449 297 Y N 0.434 120.794 120.300 0.100 0.000 2.242 297 Y HA -0.226 4.321 4.550 -0.005 0.000 0.291 297 Y C 1.978 177.933 175.900 0.092 0.000 1.137 297 Y CA 1.053 59.174 58.100 0.035 0.000 1.181 297 Y CB -0.342 38.107 38.460 -0.018 0.000 0.989 297 Y HN 0.017 nan 8.280 nan 0.000 0.527 298 F N -0.025 119.955 119.950 0.051 0.000 2.063 298 F HA -0.312 4.212 4.527 -0.005 0.000 0.298 298 F C 2.208 177.879 175.800 -0.215 0.000 1.109 298 F CA 2.228 60.207 58.000 -0.035 0.000 1.212 298 F CB -0.987 38.123 39.000 0.182 0.000 0.973 298 F HN -0.103 nan 8.300 nan 0.000 0.480 299 V N -0.495 119.381 119.914 -0.063 0.000 2.295 299 V HA -0.308 3.809 4.120 -0.005 0.000 0.246 299 V C 2.443 178.414 176.094 -0.205 0.000 1.049 299 V CA 1.708 63.967 62.300 -0.069 0.000 1.024 299 V CB -0.947 31.009 31.823 0.221 0.000 0.648 299 V HN 0.300 nan 8.190 nan 0.000 0.447 300 V N 0.109 119.902 119.914 -0.202 0.000 2.295 300 V HA -0.255 3.862 4.120 -0.005 0.000 0.246 300 V C 2.685 178.533 176.094 -0.410 0.000 1.049 300 V CA 2.127 64.287 62.300 -0.233 0.000 1.024 300 V CB -1.042 30.701 31.823 -0.134 0.000 0.648 300 V HN 0.562 nan 8.190 nan 0.000 0.447 301 A N -0.151 122.242 122.820 -0.713 0.000 1.858 301 A HA -0.105 4.212 4.320 -0.005 0.000 0.216 301 A C 2.419 179.655 177.584 -0.580 0.000 1.190 301 A CA 2.167 53.787 52.037 -0.695 0.000 0.617 301 A CB -0.907 17.481 19.000 -1.021 0.000 0.827 301 A HN 0.564 nan 8.150 nan 0.000 0.443 302 A N -1.058 121.262 122.820 -0.833 0.000 1.877 302 A HA -0.077 4.240 4.320 -0.005 0.000 0.216 302 A C 2.317 179.479 177.584 -0.704 0.000 1.186 302 A CA 2.341 53.714 52.037 -1.107 0.000 0.620 302 A CB -1.376 16.277 19.000 -2.246 0.000 0.822 302 A HN 0.435 nan 8.150 nan 0.000 0.443 303 T N 0.323 114.606 114.554 -0.452 0.000 2.684 303 T HA -0.147 4.200 4.350 -0.005 0.000 0.267 303 T C 1.708 176.184 174.700 -0.374 0.000 1.036 303 T CA 1.714 63.670 62.100 -0.241 0.000 1.148 303 T CB -0.364 68.349 68.868 -0.259 0.000 0.863 303 T HN 0.215 nan 8.240 nan 0.000 0.436 304 L N 1.067 122.099 121.223 -0.319 0.000 2.201 304 L HA -0.032 4.305 4.340 -0.005 0.000 0.212 304 L C 2.609 179.371 176.870 -0.180 0.000 1.105 304 L CA 1.451 56.139 54.840 -0.253 0.000 0.775 304 L CB -0.780 41.167 42.059 -0.186 0.000 0.913 304 L HN 0.310 nan 8.230 nan 0.000 0.440 305 Q N -0.743 118.952 119.800 -0.175 0.000 2.050 305 Q HA -0.230 4.107 4.340 -0.005 0.000 0.202 305 Q C 1.795 177.771 176.000 -0.041 0.000 0.980 305 Q CA 1.635 57.381 55.803 -0.095 0.000 0.840 305 Q CB -0.153 28.515 28.738 -0.117 0.000 0.898 305 Q HN 0.446 nan 8.270 nan 0.000 0.424 306 D N 0.562 120.945 120.400 -0.029 0.000 2.104 306 D HA -0.148 4.489 4.640 -0.005 0.000 0.194 306 D C 1.798 178.052 176.300 -0.078 0.000 0.994 306 D CA 1.019 55.034 54.000 0.025 0.000 0.830 306 D CB -0.164 40.743 40.800 0.178 0.000 0.959 306 D HN 0.218 nan 8.370 nan 0.000 0.452 307 I N 0.589 121.000 120.570 -0.265 0.000 2.179 307 I HA -0.238 3.929 4.170 -0.005 0.000 0.242 307 I C 2.242 178.373 176.117 0.023 0.000 1.088 307 I CA 0.579 61.662 61.300 -0.362 0.000 1.357 307 I CB -0.111 37.524 38.000 -0.609 0.000 1.051 307 I HN 0.026 nan 8.210 nan 0.000 0.409 308 I N 0.520 121.156 120.570 0.110 0.000 2.179 308 I HA -0.276 3.891 4.170 -0.005 0.000 0.242 308 I C 2.684 178.967 176.117 0.277 0.000 1.088 308 I CA 1.519 62.996 61.300 0.296 0.000 1.357 308 I CB -1.201 36.910 38.000 0.185 0.000 1.051 308 I HN 0.315 nan 8.210 nan 0.000 0.409 309 R N 1.015 121.601 120.500 0.143 0.000 2.073 309 R HA -0.144 4.193 4.340 -0.005 0.000 0.234 309 R C 2.458 178.812 176.300 0.091 0.000 1.134 309 R CA 1.312 57.474 56.100 0.103 0.000 0.952 309 R CB -0.060 30.275 30.300 0.058 0.000 0.850 309 R HN 0.292 nan 8.270 nan 0.000 0.433 310 R N -0.562 119.990 120.500 0.087 0.000 2.092 310 R HA -0.149 4.188 4.340 -0.005 0.000 0.231 310 R C 2.199 178.559 176.300 0.099 0.000 1.119 310 R CA 1.397 57.543 56.100 0.076 0.000 0.970 310 R CB -0.451 29.888 30.300 0.065 0.000 0.864 310 R HN 0.256 nan 8.270 nan 0.000 0.440 311 F N 2.329 122.287 119.950 0.013 0.000 2.134 311 F HA -0.174 4.350 4.527 -0.005 0.000 0.299 311 F C 1.824 177.602 175.800 -0.035 0.000 1.097 311 F CA 1.551 59.546 58.000 -0.008 0.000 1.264 311 F CB -0.014 39.037 39.000 0.085 0.000 1.001 311 F HN -0.213 nan 8.300 nan 0.000 0.479 312 K N -0.347 119.982 120.400 -0.119 0.000 2.211 312 K HA -0.034 4.283 4.320 -0.005 0.000 0.203 312 K C 1.640 178.125 176.600 -0.192 0.000 1.050 312 K CA 1.233 57.378 56.287 -0.237 0.000 0.945 312 K CB -0.240 32.242 32.500 -0.031 0.000 0.732 312 K HN 0.135 nan 8.250 nan 0.000 0.451 313 S N 0.612 116.254 115.700 -0.096 0.000 2.710 313 S HA -0.001 4.466 4.470 -0.005 0.000 0.224 313 S C 1.250 175.811 174.600 -0.064 0.000 0.948 313 S CA 0.297 58.477 58.200 -0.032 0.000 0.949 313 S CB 0.176 63.404 63.200 0.048 0.000 0.778 313 S HN 0.314 nan 8.310 nan 0.000 0.498 314 S N 0.029 115.609 115.700 -0.200 0.000 2.523 314 S HA 0.411 4.878 4.470 -0.005 0.000 0.217 314 S C 0.238 174.677 174.600 -0.269 0.000 0.996 314 S CA -0.323 57.725 58.200 -0.253 0.000 0.921 314 S CB 0.558 63.608 63.200 -0.250 0.000 0.829 314 S HN 0.299 nan 8.310 nan 0.000 0.495 326 F N 2.619 122.681 119.950 0.187 0.000 2.816 326 F HA 0.222 4.745 4.527 -0.005 0.000 0.302 326 F C 1.325 177.179 175.800 0.090 0.000 1.178 326 F CA 0.388 58.466 58.000 0.130 0.000 1.421 326 F CB -0.016 38.939 39.000 -0.075 0.000 1.114 326 F HN -0.016 nan 8.300 nan 0.000 0.573 327 D N 0.198 120.735 120.400 0.228 0.000 2.178 327 D HA -0.128 4.509 4.640 -0.005 0.000 0.201 327 D C 2.230 178.622 176.300 0.154 0.000 0.980 327 D CA 1.185 55.277 54.000 0.153 0.000 0.842 327 D CB -0.101 40.764 40.800 0.109 0.000 0.948 327 D HN 0.296 nan 8.370 nan 0.000 0.472 328 A N -0.302 122.644 122.820 0.210 0.000 2.251 328 A HA 0.034 4.351 4.320 -0.005 0.000 0.209 328 A C 1.724 179.442 177.584 0.224 0.000 1.187 328 A CA -0.219 51.944 52.037 0.210 0.000 0.823 328 A CB -0.672 18.460 19.000 0.219 0.000 0.846 328 A HN 0.134 nan 8.150 nan 0.000 0.486 329 F N 1.902 121.816 119.950 -0.060 0.000 2.069 329 F HA -0.110 4.414 4.527 -0.005 0.000 0.298 329 F C -0.806 174.893 175.800 -0.169 0.000 1.113 329 F CA 2.379 60.129 58.000 -0.415 0.000 1.214 329 F CB -0.526 38.192 39.000 -0.470 0.000 0.978 329 F HN 0.194 nan 8.300 nan 0.000 0.474 330 P HA -0.071 nan 4.420 nan 0.000 0.230 330 P C 0.600 177.868 177.300 -0.054 0.000 1.158 330 P CA 1.274 64.358 63.100 -0.028 0.000 0.769 330 P CB -0.070 31.633 31.700 0.005 0.000 0.807 331 D N -0.616 119.771 120.400 -0.022 0.000 2.323 331 D HA -0.027 4.610 4.640 -0.005 0.000 0.209 331 D C 1.435 177.725 176.300 -0.018 0.000 0.973 331 D CA 0.888 54.884 54.000 -0.006 0.000 0.874 331 D CB 0.105 40.919 40.800 0.023 0.000 0.930 331 D HN 0.163 nan 8.370 nan 0.000 0.521 332 K N 0.039 120.407 120.400 -0.053 0.000 2.402 332 K HA 0.217 4.534 4.320 -0.005 0.000 0.203 332 K C -0.057 176.463 176.600 -0.133 0.000 1.077 332 K CA 0.056 56.318 56.287 -0.043 0.000 1.051 332 K CB 2.375 34.937 32.500 0.103 0.000 0.907 332 K HN -0.061 nan 8.250 nan 0.000 0.554 333 V N 1.138 120.888 119.914 -0.273 0.000 2.623 333 V HA 0.605 4.722 4.120 -0.005 0.000 0.304 333 V C -1.012 175.009 176.094 -0.122 0.000 1.054 333 V CA -1.292 60.843 62.300 -0.276 0.000 0.882 333 V CB 1.781 33.104 31.823 -0.833 0.000 1.002 333 V HN 0.117 nan 8.190 nan 0.000 0.424 334 A N 5.764 128.573 122.820 -0.019 0.000 2.343 334 A HA 0.911 5.228 4.320 -0.005 0.000 0.316 334 A C -0.862 176.769 177.584 0.078 0.000 1.104 334 A CA -0.486 51.564 52.037 0.022 0.000 0.768 334 A CB 0.888 19.839 19.000 -0.082 0.000 1.213 334 A HN 0.784 nan 8.150 nan 0.000 0.456 335 I N 2.070 122.717 120.570 0.127 0.000 2.354 335 I HA 0.261 4.428 4.170 -0.005 0.000 0.286 335 I C -0.237 175.982 176.117 0.170 0.000 1.007 335 I CA -0.496 60.886 61.300 0.136 0.000 1.167 335 I CB 1.742 39.793 38.000 0.086 0.000 1.320 335 I HN 0.676 nan 8.210 nan 0.000 0.458 336 Q N 6.870 126.780 119.800 0.183 0.000 2.303 336 Q HA 0.487 4.824 4.340 -0.005 0.000 0.257 336 Q C -1.237 174.798 176.000 0.058 0.000 0.941 336 Q CA -0.228 55.723 55.803 0.247 0.000 0.931 336 Q CB 1.243 30.271 28.738 0.484 0.000 1.215 336 Q HN 0.567 nan 8.270 nan 0.000 0.437 337 L N 3.800 125.082 121.223 0.099 0.000 2.255 337 L HA 0.393 4.730 4.340 -0.005 0.000 0.289 337 L C 0.061 176.968 176.870 0.061 0.000 1.046 337 L CA -0.762 54.117 54.840 0.065 0.000 0.816 337 L CB 0.604 42.740 42.059 0.128 0.000 1.197 337 L HN 0.544 nan 8.230 nan 0.000 0.427 338 N N 3.498 122.143 118.700 -0.091 0.000 2.421 338 N HA 0.068 4.804 4.740 -0.005 0.000 0.260 338 N C -0.126 175.397 175.510 0.023 0.000 1.173 338 N CA 0.512 53.556 53.050 -0.011 0.000 0.960 338 N CB -0.090 38.277 38.487 -0.200 0.000 1.273 338 N HN 0.668 nan 8.380 nan 0.000 0.497 339 D N -0.346 120.170 120.400 0.193 0.000 4.136 339 D HA -0.253 4.384 4.640 -0.005 0.000 0.291 339 D C 0.409 176.782 176.300 0.121 0.000 2.238 339 D CA 1.987 56.064 54.000 0.129 0.000 1.141 339 D CB -0.326 40.269 40.800 -0.343 0.000 1.027 339 D HN 0.526 nan 8.370 nan 0.000 1.223 340 T N -3.100 111.463 114.554 0.015 0.000 3.129 340 T HA 0.100 4.447 4.350 -0.005 0.000 0.251 340 T C 1.450 176.222 174.700 0.120 0.000 1.117 340 T CA 1.392 63.487 62.100 -0.008 0.000 1.034 340 T CB -0.485 68.346 68.868 -0.061 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.579 121.736 119.070 0.145 0.000 2.352 341 H HA -0.000 4.553 4.556 -0.005 0.000 0.299 341 H C -0.796 174.625 175.328 0.154 0.000 1.097 341 H CA 1.010 57.162 56.048 0.173 0.000 1.311 341 H CB -0.850 29.014 29.762 0.170 0.000 1.377 341 H HN 0.437 nan 8.280 nan 0.000 0.504 342 P HA 0.074 nan 4.420 nan 0.000 0.259 342 P C 0.833 178.182 177.300 0.081 0.000 1.530 342 P CA 0.387 63.571 63.100 0.140 0.000 1.022 342 P CB 0.326 32.095 31.700 0.116 0.000 1.514 343 S N -0.024 115.715 115.700 0.066 0.000 2.420 343 S HA -0.161 4.306 4.470 -0.005 0.000 0.237 343 S C 1.778 176.386 174.600 0.013 0.000 1.023 343 S CA 0.866 59.064 58.200 -0.004 0.000 0.991 343 S CB -1.596 61.568 63.200 -0.059 0.000 0.792 343 S HN 0.153 nan 8.310 nan 0.000 0.488 344 L N 0.975 122.224 121.223 0.043 0.000 2.549 344 L HA -0.027 4.310 4.340 -0.005 0.000 0.230 344 L C 2.910 179.826 176.870 0.076 0.000 1.162 344 L CA 0.651 55.521 54.840 0.050 0.000 0.834 344 L CB -0.748 41.343 42.059 0.053 0.000 0.947 344 L HN 0.496 nan 8.230 nan 0.000 0.452 345 A N 0.435 123.278 122.820 0.039 0.000 1.978 345 A HA -0.193 4.124 4.320 -0.005 0.000 0.220 345 A C 2.155 179.744 177.584 0.008 0.000 1.170 345 A CA 1.436 53.480 52.037 0.012 0.000 0.636 345 A CB -0.434 18.563 19.000 -0.005 0.000 0.810 345 A HN 0.368 nan 8.150 nan 0.000 0.448 346 I N 0.361 120.938 120.570 0.013 0.000 2.090 346 I HA -0.154 4.013 4.170 -0.005 0.000 0.236 346 I C -0.313 175.834 176.117 0.049 0.000 1.064 346 I CA 1.664 62.973 61.300 0.016 0.000 1.324 346 I CB -1.021 36.994 38.000 0.026 0.000 1.044 346 I HN 0.238 nan 8.210 nan 0.000 0.399 347 P HA -0.184 nan 4.420 nan 0.000 0.220 347 P C 1.289 178.607 177.300 0.030 0.000 1.148 347 P CA 1.550 64.686 63.100 0.060 0.000 0.803 347 P CB 0.015 31.779 31.700 0.107 0.000 0.782 348 E N 0.294 120.592 120.200 0.163 0.000 2.072 348 E HA -0.160 4.187 4.350 -0.005 0.000 0.191 348 E C 1.948 178.533 176.600 -0.025 0.000 0.985 348 E CA 0.733 57.243 56.400 0.184 0.000 0.801 348 E CB -1.229 28.634 29.700 0.272 0.000 0.750 348 E HN 0.022 nan 8.360 nan 0.000 0.452 349 L N -0.101 121.077 121.223 -0.076 0.000 2.046 349 L HA -0.112 4.225 4.340 -0.005 0.000 0.208 349 L C 2.121 178.835 176.870 -0.260 0.000 1.077 349 L CA 1.750 56.479 54.840 -0.184 0.000 0.747 349 L CB -0.536 41.414 42.059 -0.181 0.000 0.896 349 L HN 0.226 nan 8.230 nan 0.000 0.432 350 M N -0.710 118.753 119.600 -0.229 0.000 2.080 350 M HA -0.235 4.242 4.480 -0.005 0.000 0.260 350 M C 2.454 178.557 176.300 -0.327 0.000 1.068 350 M CA 1.636 56.736 55.300 -0.333 0.000 1.109 350 M CB -1.260 31.119 32.600 -0.368 0.000 1.342 350 M HN 0.343 nan 8.290 nan 0.000 0.405 351 R N 0.001 120.341 120.500 -0.267 0.000 2.083 351 R HA -0.141 4.196 4.340 -0.005 0.000 0.237 351 R C 2.084 178.267 176.300 -0.196 0.000 1.137 351 R CA 1.755 57.705 56.100 -0.249 0.000 0.951 351 R CB -0.217 29.878 30.300 -0.341 0.000 0.851 351 R HN 0.219 nan 8.270 nan 0.000 0.434 352 V N 1.452 121.252 119.914 -0.191 0.000 2.295 352 V HA -0.261 3.856 4.120 -0.005 0.000 0.246 352 V C 2.417 178.340 176.094 -0.285 0.000 1.049 352 V CA 1.794 63.978 62.300 -0.193 0.000 1.024 352 V CB -0.417 31.294 31.823 -0.187 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.673 120.310 121.223 -0.400 0.000 2.093 353 L HA -0.122 4.215 4.340 -0.005 0.000 0.208 353 L C 2.356 179.023 176.870 -0.338 0.000 1.085 353 L CA 1.039 55.569 54.840 -0.517 0.000 0.755 353 L CB -0.583 41.109 42.059 -0.613 0.000 0.904 353 L HN 0.207 nan 8.230 nan 0.000 0.435 354 V N -0.634 119.123 119.914 -0.261 0.000 2.300 354 V HA -0.165 3.952 4.120 -0.005 0.000 0.241 354 V C 1.971 178.013 176.094 -0.085 0.000 1.034 354 V CA 1.620 63.833 62.300 -0.146 0.000 1.021 354 V CB -0.347 31.413 31.823 -0.106 0.000 0.662 354 V HN 0.334 nan 8.190 nan 0.000 0.458 355 D N 0.065 120.411 120.400 -0.090 0.000 2.149 355 D HA -0.028 4.608 4.640 -0.005 0.000 0.201 355 D C 2.012 178.283 176.300 -0.048 0.000 0.972 355 D CA 1.245 55.213 54.000 -0.053 0.000 0.835 355 D CB 0.064 40.831 40.800 -0.056 0.000 0.966 355 D HN 0.339 nan 8.370 nan 0.000 0.476 356 L N 0.147 121.326 121.223 -0.073 0.000 2.349 356 L HA 0.118 4.455 4.340 -0.005 0.000 0.200 356 L C 1.880 178.722 176.870 -0.047 0.000 1.064 356 L CA 0.417 55.227 54.840 -0.051 0.000 0.821 356 L CB 0.033 42.063 42.059 -0.048 0.000 1.027 356 L HN -0.210 nan 8.230 nan 0.000 0.476 357 E N 0.469 120.606 120.200 -0.105 0.000 2.442 357 E HA 0.027 4.374 4.350 -0.005 0.000 0.195 357 E C 0.134 176.701 176.600 -0.055 0.000 1.030 357 E CA -0.037 56.312 56.400 -0.085 0.000 0.869 357 E CB 0.259 29.787 29.700 -0.286 0.000 0.857 357 E HN 0.196 nan 8.360 nan 0.000 0.505 358 R N 0.214 120.674 120.500 -0.066 0.000 3.531 358 R HA -0.166 4.170 4.340 -0.005 0.000 0.280 358 R C -0.176 176.110 176.300 -0.023 0.000 1.130 358 R CA 0.365 56.449 56.100 -0.027 0.000 0.757 358 R CB -2.590 27.713 30.300 0.006 0.000 1.218 358 R HN 0.215 nan 8.270 nan 0.000 0.454 359 L N 1.629 122.807 121.223 -0.074 0.000 2.418 359 L HA 0.171 4.508 4.340 -0.005 0.000 0.265 359 L C 1.443 178.304 176.870 -0.016 0.000 1.143 359 L CA -0.358 54.449 54.840 -0.055 0.000 0.809 359 L CB 0.471 42.448 42.059 -0.136 0.000 1.124 359 L HN 0.134 nan 8.230 nan 0.000 0.456 360 D N 0.604 121.020 120.400 0.028 0.000 2.382 360 D HA -0.141 4.495 4.640 -0.005 0.000 0.240 360 D C 0.790 177.158 176.300 0.113 0.000 1.146 360 D CA -0.478 53.573 54.000 0.085 0.000 0.897 360 D CB 1.194 42.048 40.800 0.091 0.000 1.197 360 D HN 0.655 nan 8.370 nan 0.000 0.432 361 W N 1.819 123.119 121.300 0.001 0.000 2.318 361 W HA -0.222 4.435 4.660 -0.005 0.000 0.313 361 W C 1.032 177.593 176.519 0.069 0.000 1.221 361 W CA 1.845 59.197 57.345 0.012 0.000 1.266 361 W CB -0.227 29.221 29.460 -0.019 0.000 1.150 361 W HN 0.450 nan 8.180 nan 0.000 0.496 362 D N 0.298 120.897 120.400 0.331 0.000 2.104 362 D HA -0.208 4.429 4.640 -0.005 0.000 0.194 362 D C 1.900 178.304 176.300 0.174 0.000 0.994 362 D CA 1.987 56.153 54.000 0.276 0.000 0.830 362 D CB -0.422 40.503 40.800 0.208 0.000 0.959 362 D HN 0.048 nan 8.370 nan 0.000 0.452 363 K N 1.037 121.495 120.400 0.097 0.000 2.025 363 K HA 0.030 4.347 4.320 -0.005 0.000 0.207 363 K C 1.846 178.432 176.600 -0.022 0.000 1.049 363 K CA 1.455 57.769 56.287 0.044 0.000 0.933 363 K CB -0.632 31.889 32.500 0.036 0.000 0.714 363 K HN 0.003 nan 8.250 nan 0.000 0.438 364 A N 0.575 123.341 122.820 -0.091 0.000 1.917 364 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 364 A C 2.257 179.742 177.584 -0.165 0.000 1.182 364 A CA 1.613 53.521 52.037 -0.215 0.000 0.633 364 A CB -1.191 17.612 19.000 -0.329 0.000 0.819 364 A HN 0.709 nan 8.150 nan 0.000 0.448 365 W N 0.490 121.602 121.300 -0.314 0.000 2.388 365 W HA -0.121 4.536 4.660 -0.005 0.000 0.294 365 W C 1.997 178.465 176.519 -0.084 0.000 1.212 365 W CA 1.593 58.804 57.345 -0.223 0.000 1.271 365 W CB -0.081 29.296 29.460 -0.138 0.000 1.126 365 W HN 0.606 nan 8.180 nan 0.000 0.535 366 E N 0.230 120.413 120.200 -0.029 0.000 2.058 366 E HA -0.224 4.123 4.350 -0.005 0.000 0.194 366 E C 2.029 178.541 176.600 -0.146 0.000 0.997 366 E CA 1.905 58.255 56.400 -0.084 0.000 0.801 366 E CB -0.297 29.412 29.700 0.014 0.000 0.746 366 E HN 0.057 nan 8.360 nan 0.000 0.450 367 V N 0.786 120.626 119.914 -0.124 0.000 2.295 367 V HA -0.272 3.845 4.120 -0.005 0.000 0.246 367 V C 2.447 178.452 176.094 -0.149 0.000 1.049 367 V CA 2.240 64.478 62.300 -0.105 0.000 1.024 367 V CB -0.853 30.887 31.823 -0.137 0.000 0.648 367 V HN 0.374 nan 8.190 nan 0.000 0.447 368 T N 0.081 114.471 114.554 -0.273 0.000 2.684 368 T HA -0.185 4.162 4.350 -0.005 0.000 0.267 368 T C 1.935 176.431 174.700 -0.341 0.000 1.036 368 T CA 1.823 63.734 62.100 -0.314 0.000 1.148 368 T CB -0.309 68.320 68.868 -0.398 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.436 369 V N 1.334 120.924 119.914 -0.540 0.000 2.343 369 V HA -0.166 3.951 4.120 -0.005 0.000 0.247 369 V C 2.388 178.438 176.094 -0.073 0.000 1.051 369 V CA 1.614 63.675 62.300 -0.400 0.000 1.036 369 V CB -0.497 31.021 31.823 -0.508 0.000 0.654 369 V HN 0.455 nan 8.190 nan 0.000 0.451 370 K N -0.384 119.951 120.400 -0.109 0.000 2.211 370 K HA -0.103 4.213 4.320 -0.005 0.000 0.203 370 K C 2.144 178.713 176.600 -0.051 0.000 1.050 370 K CA 1.627 57.830 56.287 -0.141 0.000 0.945 370 K CB -0.242 32.173 32.500 -0.141 0.000 0.732 370 K HN 0.482 nan 8.250 nan 0.000 0.451 371 T N 0.257 114.839 114.554 0.047 0.000 2.894 371 T HA -0.007 4.340 4.350 -0.005 0.000 0.258 371 T C 0.954 175.764 174.700 0.183 0.000 1.043 371 T CA 0.498 62.666 62.100 0.114 0.000 1.141 371 T CB 0.054 69.025 68.868 0.173 0.000 0.873 371 T HN 0.168 nan 8.240 nan 0.000 0.449 372 C N 2.236 121.626 119.300 0.151 0.000 2.365 372 C HA 0.883 5.340 4.460 -0.005 0.000 0.351 372 C C 0.578 175.625 174.990 0.094 0.000 1.240 372 C CA -1.240 57.844 59.018 0.110 0.000 2.062 372 C CB 0.128 27.870 27.740 0.003 0.000 2.387 372 C HN 0.599 nan 8.230 nan 0.000 0.537 373 A N 2.137 125.008 122.820 0.085 0.000 2.539 373 A HA 0.772 5.089 4.320 -0.005 0.000 0.296 373 A C -1.603 176.052 177.584 0.119 0.000 1.073 373 A CA -0.435 51.597 52.037 -0.007 0.000 0.700 373 A CB 1.083 20.064 19.000 -0.031 0.000 1.296 373 A HN 0.945 nan 8.150 nan 0.000 0.405 374 Y N 1.114 121.357 120.300 -0.096 0.000 2.350 374 Y HA 0.609 5.156 4.550 -0.005 0.000 0.338 374 Y C -0.562 175.303 175.900 -0.059 0.000 0.961 374 Y CA -0.337 57.713 58.100 -0.083 0.000 1.100 374 Y CB 1.971 40.331 38.460 -0.167 0.000 1.179 374 Y HN 0.572 nan 8.280 nan 0.000 0.454 375 T N 6.499 120.890 114.554 -0.272 0.000 2.758 375 T HA 0.172 4.519 4.350 -0.005 0.000 0.285 375 T C -0.717 173.557 174.700 -0.710 0.000 0.981 375 T CA -0.751 61.108 62.100 -0.401 0.000 0.965 375 T CB 0.371 69.231 68.868 -0.013 0.000 0.927 375 T HN 0.623 nan 8.240 nan 0.000 0.448 376 N N 1.926 120.157 118.700 -0.781 0.000 2.438 376 N HA 0.125 4.862 4.740 -0.005 0.000 0.282 376 N C 0.024 175.393 175.510 -0.235 0.000 1.037 376 N CA -0.331 52.468 53.050 -0.419 0.000 0.942 376 N CB 0.746 39.097 38.487 -0.226 0.000 1.136 376 N HN 0.674 nan 8.380 nan 0.000 0.481 377 H N 1.024 120.129 119.070 0.059 0.000 2.784 377 H HA 0.127 4.680 4.556 -0.005 0.000 0.273 377 H C -0.072 175.204 175.328 -0.087 0.000 1.112 377 H CA -0.075 55.958 56.048 -0.026 0.000 1.162 377 H CB 0.849 30.599 29.762 -0.019 0.000 1.586 377 H HN 0.579 nan 8.280 nan 0.000 0.548 378 T N -2.058 112.571 114.554 0.125 0.000 2.924 378 T HA 0.502 4.849 4.350 -0.005 0.000 0.291 378 T C 0.835 175.599 174.700 0.107 0.000 1.045 378 T CA -0.626 61.522 62.100 0.081 0.000 1.015 378 T CB 2.612 71.555 68.868 0.124 0.000 1.103 378 T HN -0.118 nan 8.240 nan 0.000 0.496 379 V N 0.216 120.125 119.914 -0.008 0.000 3.103 379 V HA 0.288 4.404 4.120 -0.005 0.000 0.229 379 V C 0.635 176.711 176.094 -0.031 0.000 1.304 379 V CA -0.086 62.206 62.300 -0.014 0.000 1.298 379 V CB -0.189 31.586 31.823 -0.080 0.000 1.093 379 V HN 0.756 nan 8.190 nan 0.000 0.489 380 L N 3.518 124.712 121.223 -0.048 0.000 2.410 380 L HA 0.166 4.502 4.340 -0.005 0.000 0.273 380 L C -0.983 175.911 176.870 0.039 0.000 1.144 380 L CA -1.096 53.752 54.840 0.013 0.000 0.863 380 L CB 0.348 42.435 42.059 0.046 0.000 1.140 380 L HN 0.152 nan 8.230 nan 0.000 0.463 381 P HA -0.217 nan 4.420 nan 0.000 0.218 381 P C 0.987 178.308 177.300 0.034 0.000 1.148 381 P CA 1.251 64.365 63.100 0.023 0.000 0.822 381 P CB 0.043 31.755 31.700 0.020 0.000 0.784 382 E N 0.250 120.501 120.200 0.085 0.000 2.478 382 E HA -0.037 4.310 4.350 -0.005 0.000 0.198 382 E C 1.616 178.245 176.600 0.049 0.000 1.046 382 E CA 0.907 57.362 56.400 0.092 0.000 0.870 382 E CB -0.687 29.155 29.700 0.236 0.000 0.818 382 E HN 0.179 nan 8.360 nan 0.000 0.527 383 A N 1.334 124.204 122.820 0.083 0.000 2.072 383 A HA 0.177 4.494 4.320 -0.005 0.000 0.216 383 A C 1.462 179.062 177.584 0.026 0.000 1.156 383 A CA -0.140 51.952 52.037 0.092 0.000 0.701 383 A CB -0.196 18.875 19.000 0.118 0.000 0.816 383 A HN 0.190 nan 8.150 nan 0.000 0.458 384 L N 1.364 122.559 121.223 -0.047 0.000 2.416 384 L HA 0.104 4.441 4.340 -0.005 0.000 0.272 384 L C -0.039 176.515 176.870 -0.526 0.000 1.161 384 L CA -0.184 54.562 54.840 -0.157 0.000 0.845 384 L CB 0.519 42.515 42.059 -0.106 0.000 1.119 384 L HN 0.340 nan 8.230 nan 0.000 0.464 385 E N 4.203 123.983 120.200 -0.700 0.000 2.180 385 E HA 0.205 4.552 4.350 -0.005 0.000 0.283 385 E C -0.660 175.232 176.600 -1.180 0.000 1.061 385 E CA -0.175 55.305 56.400 -1.533 0.000 0.861 385 E CB 0.630 29.812 29.700 -0.864 0.000 1.056 385 E HN 0.400 nan 8.360 nan 0.000 0.407 386 R N 3.876 123.510 120.500 -1.442 0.000 2.487 386 R HA 0.202 4.539 4.340 -0.005 0.000 0.288 386 R C -1.207 174.879 176.300 -0.357 0.000 1.394 386 R CA -0.584 55.160 56.100 -0.593 0.000 1.155 386 R CB 0.737 30.845 30.300 -0.320 0.000 1.156 386 R HN 0.433 nan 8.270 nan 0.000 0.553 387 W N 4.092 125.326 121.300 -0.111 0.000 2.287 387 W HA 0.274 4.930 4.660 -0.005 0.000 0.313 387 W C -1.918 174.574 176.519 -0.045 0.000 1.267 387 W CA -2.242 55.108 57.345 0.008 0.000 1.201 387 W CB 0.589 30.032 29.460 -0.029 0.000 1.196 387 W HN 0.238 nan 8.180 nan 0.000 0.536 388 P HA -0.113 nan 4.420 nan 0.000 0.264 388 P C 0.900 178.151 177.300 -0.081 0.000 1.193 388 P CA 0.208 63.304 63.100 -0.006 0.000 0.763 388 P CB 0.631 32.207 31.700 -0.207 0.000 0.810 389 V N 2.491 122.408 119.914 0.005 0.000 2.490 389 V HA -0.281 3.836 4.120 -0.005 0.000 0.250 389 V C 2.009 178.115 176.094 0.020 0.000 1.061 389 V CA 1.986 64.298 62.300 0.020 0.000 1.064 389 V CB -1.780 30.113 31.823 0.116 0.000 0.670 389 V HN 0.694 nan 8.190 nan 0.000 0.461 390 H N -0.128 118.999 119.070 0.095 0.000 2.389 390 H HA -0.097 4.456 4.556 -0.005 0.000 0.299 390 H C 2.162 177.538 175.328 0.081 0.000 1.081 390 H CA 1.875 57.976 56.048 0.088 0.000 1.345 390 H CB -0.203 29.611 29.762 0.087 0.000 1.393 390 H HN 0.482 nan 8.280 nan 0.000 0.520 391 L N 1.138 122.110 121.223 -0.419 0.000 2.056 391 L HA -0.058 4.279 4.340 -0.005 0.000 0.207 391 L C 2.672 179.481 176.870 -0.100 0.000 1.078 391 L CA 1.058 55.795 54.840 -0.172 0.000 0.749 391 L CB -0.608 41.326 42.059 -0.208 0.000 0.901 391 L HN 0.211 nan 8.230 nan 0.000 0.433 392 L N -0.818 120.326 121.223 -0.133 0.000 2.056 392 L HA -0.217 4.120 4.340 -0.005 0.000 0.207 392 L C 2.545 179.355 176.870 -0.100 0.000 1.078 392 L CA 1.555 56.300 54.840 -0.158 0.000 0.749 392 L CB -0.562 41.397 42.059 -0.166 0.000 0.901 392 L HN 0.392 nan 8.230 nan 0.000 0.433 393 E N -0.386 119.798 120.200 -0.027 0.000 2.085 393 E HA -0.220 4.127 4.350 -0.005 0.000 0.194 393 E C 1.949 178.590 176.600 0.068 0.000 0.994 393 E CA 1.911 58.328 56.400 0.029 0.000 0.801 393 E CB 0.120 29.876 29.700 0.094 0.000 0.743 393 E HN 0.424 nan 8.360 nan 0.000 0.453 394 T N 1.029 115.648 114.554 0.108 0.000 2.732 394 T HA -0.124 4.223 4.350 -0.005 0.000 0.261 394 T C 1.773 176.598 174.700 0.208 0.000 1.040 394 T CA 1.037 63.255 62.100 0.197 0.000 1.145 394 T CB -0.223 68.794 68.868 0.249 0.000 0.866 394 T HN 0.093 nan 8.240 nan 0.000 0.427 395 L N 0.030 121.269 121.223 0.027 0.000 2.095 395 L HA 0.292 4.629 4.340 -0.005 0.000 0.204 395 L C 0.456 177.270 176.870 -0.093 0.000 1.080 395 L CA 1.645 56.366 54.840 -0.199 0.000 0.759 395 L CB -0.045 41.841 42.059 -0.289 0.000 0.914 395 L HN 0.193 nan 8.230 nan 0.000 0.439 396 L N 0.542 121.676 121.223 -0.149 0.000 2.551 396 L HA 0.293 4.630 4.340 -0.005 0.000 0.248 396 L C -1.715 174.985 176.870 -0.283 0.000 1.509 396 L CA -0.967 53.702 54.840 -0.285 0.000 0.842 396 L CB 0.845 42.583 42.059 -0.535 0.000 1.087 396 L HN -0.062 nan 8.230 nan 0.000 0.512 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.466 178.594 177.300 -0.287 0.000 1.150 397 P CA 1.112 64.110 63.100 -0.170 0.000 0.837 397 P CB 0.381 32.053 31.700 -0.047 0.000 0.786 398 R N -0.226 119.920 120.500 -0.590 0.000 2.092 398 R HA -0.128 4.209 4.340 -0.005 0.000 0.231 398 R C 2.258 178.264 176.300 -0.491 0.000 1.119 398 R CA 1.600 57.354 56.100 -0.576 0.000 0.970 398 R CB -1.629 28.156 30.300 -0.860 0.000 0.864 398 R HN 0.253 nan 8.270 nan 0.000 0.440 399 H N -0.665 118.099 119.070 -0.509 0.000 2.357 399 H HA -0.055 4.498 4.556 -0.005 0.000 0.301 399 H C 1.576 176.744 175.328 -0.267 0.000 1.082 399 H CA 1.581 57.416 56.048 -0.356 0.000 1.342 399 H CB -0.181 29.333 29.762 -0.413 0.000 1.389 399 H HN 0.104 nan 8.280 nan 0.000 0.511 400 L N 0.897 122.013 121.223 -0.178 0.000 2.046 400 L HA -0.208 4.129 4.340 -0.005 0.000 0.208 400 L C 1.956 178.681 176.870 -0.242 0.000 1.077 400 L CA 1.666 56.343 54.840 -0.271 0.000 0.747 400 L CB -0.555 41.361 42.059 -0.239 0.000 0.896 400 L HN 0.280 nan 8.230 nan 0.000 0.432 401 Q N -0.622 119.134 119.800 -0.075 0.000 2.061 401 Q HA -0.238 4.099 4.340 -0.005 0.000 0.204 401 Q C 2.304 178.343 176.000 0.066 0.000 0.984 401 Q CA 2.246 58.087 55.803 0.064 0.000 0.846 401 Q CB -0.296 28.477 28.738 0.059 0.000 0.902 401 Q HN 0.581 nan 8.270 nan 0.000 0.421 402 I N 0.260 120.848 120.570 0.030 0.000 2.252 402 I HA -0.265 3.902 4.170 -0.005 0.000 0.245 402 I C 2.185 178.384 176.117 0.137 0.000 1.102 402 I CA 0.900 62.305 61.300 0.175 0.000 1.385 402 I CB -0.161 37.881 38.000 0.071 0.000 1.064 402 I HN 0.185 nan 8.210 nan 0.000 0.414 403 I N -0.283 120.283 120.570 -0.008 0.000 2.163 403 I HA -0.345 3.822 4.170 -0.005 0.000 0.243 403 I C 2.454 178.572 176.117 0.002 0.000 1.085 403 I CA 1.624 62.896 61.300 -0.047 0.000 1.347 403 I CB -0.439 37.464 38.000 -0.162 0.000 1.044 403 I HN 0.152 nan 8.210 nan 0.000 0.408 404 Y N 0.774 121.077 120.300 0.005 0.000 2.165 404 Y HA -0.295 4.251 4.550 -0.005 0.000 0.286 404 Y C 2.608 178.469 175.900 -0.064 0.000 1.155 404 Y CA 1.687 59.775 58.100 -0.020 0.000 1.164 404 Y CB -0.774 37.667 38.460 -0.033 0.000 0.978 404 Y HN 0.205 nan 8.280 nan 0.000 0.513 405 E N 0.318 120.551 120.200 0.055 0.000 2.072 405 E HA -0.135 4.212 4.350 -0.005 0.000 0.191 405 E C 2.091 178.610 176.600 -0.134 0.000 0.985 405 E CA 1.170 57.460 56.400 -0.183 0.000 0.801 405 E CB -0.542 28.836 29.700 -0.536 0.000 0.750 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.701 121.280 120.570 0.015 0.000 2.163 406 I HA -0.306 3.861 4.170 -0.005 0.000 0.243 406 I C 2.248 178.354 176.117 -0.019 0.000 1.085 406 I CA 1.474 62.708 61.300 -0.110 0.000 1.347 406 I CB -0.382 37.533 38.000 -0.141 0.000 1.044 406 I HN 0.203 nan 8.210 nan 0.000 0.408 407 N N 0.497 119.241 118.700 0.073 0.000 2.120 407 N HA -0.264 4.473 4.740 -0.005 0.000 0.188 407 N C 1.812 177.408 175.510 0.144 0.000 1.024 407 N CA 1.427 54.578 53.050 0.168 0.000 0.852 407 N CB -0.082 38.522 38.487 0.194 0.000 1.003 407 N HN 0.230 nan 8.380 nan 0.000 0.424 408 Q N 0.569 120.398 119.800 0.049 0.000 2.050 408 Q HA -0.002 4.335 4.340 -0.005 0.000 0.202 408 Q C 1.961 177.950 176.000 -0.018 0.000 0.980 408 Q CA 1.662 57.461 55.803 -0.008 0.000 0.840 408 Q CB -0.083 28.609 28.738 -0.077 0.000 0.898 408 Q HN 0.339 nan 8.270 nan 0.000 0.424 409 R N -1.066 119.406 120.500 -0.047 0.000 2.092 409 R HA -0.064 4.273 4.340 -0.005 0.000 0.231 409 R C 2.119 178.456 176.300 0.061 0.000 1.119 409 R CA 1.203 57.279 56.100 -0.039 0.000 0.970 409 R CB -0.433 29.802 30.300 -0.108 0.000 0.864 409 R HN 0.282 nan 8.270 nan 0.000 0.440 410 F N 1.365 121.301 119.950 -0.023 0.000 2.113 410 F HA -0.091 4.433 4.527 -0.005 0.000 0.297 410 F C 1.753 177.587 175.800 0.057 0.000 1.103 410 F CA 1.356 59.392 58.000 0.061 0.000 1.248 410 F CB -0.125 38.942 39.000 0.112 0.000 0.999 410 F HN -0.115 nan 8.300 nan 0.000 0.475 411 L N 0.073 121.292 121.223 -0.007 0.000 2.201 411 L HA -0.203 4.134 4.340 -0.005 0.000 0.212 411 L C 2.083 178.885 176.870 -0.113 0.000 1.105 411 L CA 0.758 55.533 54.840 -0.108 0.000 0.775 411 L CB -0.817 41.252 42.059 0.016 0.000 0.913 411 L HN 0.153 nan 8.230 nan 0.000 0.440 412 N N 0.534 119.191 118.700 -0.071 0.000 2.104 412 N HA -0.162 4.575 4.740 -0.005 0.000 0.190 412 N C 1.900 177.361 175.510 -0.081 0.000 1.024 412 N CA 1.217 54.229 53.050 -0.064 0.000 0.853 412 N CB -0.177 38.282 38.487 -0.047 0.000 1.008 412 N HN 0.305 nan 8.380 nan 0.000 0.424 413 R N 0.169 120.604 120.500 -0.110 0.000 2.092 413 R HA 0.013 4.350 4.340 -0.005 0.000 0.231 413 R C 2.086 178.292 176.300 -0.156 0.000 1.119 413 R CA 0.747 56.779 56.100 -0.113 0.000 0.970 413 R CB -0.313 29.937 30.300 -0.082 0.000 0.864 413 R HN 0.049 nan 8.270 nan 0.000 0.440 414 V N 1.012 120.776 119.914 -0.250 0.000 2.343 414 V HA -0.235 3.881 4.120 -0.005 0.000 0.247 414 V C 2.446 178.539 176.094 -0.002 0.000 1.051 414 V CA 1.993 64.213 62.300 -0.133 0.000 1.036 414 V CB -0.719 30.950 31.823 -0.256 0.000 0.654 414 V HN 0.394 nan 8.190 nan 0.000 0.451 415 A N -0.040 122.750 122.820 -0.049 0.000 1.933 415 A HA -0.082 4.235 4.320 -0.005 0.000 0.218 415 A C 2.397 179.962 177.584 -0.031 0.000 1.175 415 A CA 2.026 54.051 52.037 -0.020 0.000 0.628 415 A CB -0.680 18.300 19.000 -0.034 0.000 0.814 415 A HN 0.567 nan 8.150 nan 0.000 0.444 416 A N -0.318 122.466 122.820 -0.061 0.000 1.898 416 A HA 0.248 4.565 4.320 -0.005 0.000 0.216 416 A C 2.448 179.951 177.584 -0.135 0.000 1.181 416 A CA 1.830 53.820 52.037 -0.078 0.000 0.620 416 A CB -0.831 18.128 19.000 -0.069 0.000 0.819 416 A HN 0.978 nan 8.150 nan 0.000 0.442 417 A N -1.567 121.134 122.820 -0.199 0.000 1.968 417 A HA 0.292 4.609 4.320 -0.005 0.000 0.217 417 A C 0.532 177.684 177.584 -0.720 0.000 1.169 417 A CA 0.683 52.438 52.037 -0.471 0.000 0.638 417 A CB -0.260 18.403 19.000 -0.562 0.000 0.812 417 A HN 0.444 nan 8.150 nan 0.000 0.446 418 F N -0.149 119.757 119.950 -0.073 0.000 2.622 418 F HA 0.344 4.868 4.527 -0.005 0.000 0.338 418 F C -2.793 172.971 175.800 -0.059 0.000 1.334 418 F CA -2.795 55.166 58.000 -0.065 0.000 1.179 418 F CB 0.839 39.793 39.000 -0.078 0.000 1.471 418 F HN -0.065 nan 8.300 nan 0.000 0.576 419 P HA 0.212 nan 4.420 nan 0.000 0.267 419 P C 0.986 178.307 177.300 0.034 0.000 1.209 419 P CA 0.903 64.016 63.100 0.022 0.000 0.763 419 P CB 0.922 32.616 31.700 -0.009 0.000 0.816 420 G N 2.546 111.359 108.800 0.022 0.000 2.199 420 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.254 420 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.254 420 G C 0.259 175.168 174.900 0.015 0.000 0.982 420 G CA -0.050 45.059 45.100 0.014 0.000 0.632 420 G HN 0.600 nan 8.290 nan 0.000 0.529 421 D N 1.143 121.561 120.400 0.029 0.000 2.508 421 D HA 0.459 5.095 4.640 -0.005 0.000 0.224 421 D C 1.694 177.982 176.300 -0.019 0.000 1.171 421 D CA 0.127 54.128 54.000 0.002 0.000 1.006 421 D CB 0.617 41.416 40.800 -0.003 0.000 1.073 421 D HN 0.086 nan 8.370 nan 0.000 0.513 422 V N 2.741 122.645 119.914 -0.017 0.000 2.379 422 V HA -0.187 3.930 4.120 -0.005 0.000 0.245 422 V C 1.984 178.064 176.094 -0.023 0.000 1.044 422 V CA 1.486 63.776 62.300 -0.017 0.000 1.036 422 V CB -0.310 31.507 31.823 -0.009 0.000 0.664 422 V HN 0.436 nan 8.190 nan 0.000 0.453 423 D N -0.169 120.214 120.400 -0.029 0.000 2.178 423 D HA -0.178 4.459 4.640 -0.005 0.000 0.202 423 D C 2.348 178.618 176.300 -0.050 0.000 0.974 423 D CA 0.986 54.969 54.000 -0.029 0.000 0.841 423 D CB -0.121 40.663 40.800 -0.027 0.000 0.953 423 D HN 0.221 nan 8.370 nan 0.000 0.478 424 R N -0.162 120.283 120.500 -0.091 0.000 2.081 424 R HA -0.094 4.243 4.340 -0.005 0.000 0.235 424 R C 2.306 178.529 176.300 -0.128 0.000 1.131 424 R CA 0.862 56.870 56.100 -0.153 0.000 0.960 424 R CB -0.275 29.872 30.300 -0.256 0.000 0.856 424 R HN 0.264 nan 8.270 nan 0.000 0.436 425 L N 0.194 121.368 121.223 -0.082 0.000 2.012 425 L HA -0.217 4.120 4.340 -0.005 0.000 0.210 425 L C 2.937 179.807 176.870 -0.001 0.000 1.073 425 L CA 1.665 56.476 54.840 -0.048 0.000 0.748 425 L CB -0.545 41.498 42.059 -0.027 0.000 0.891 425 L HN 0.276 nan 8.230 nan 0.000 0.431 426 R N 0.317 120.823 120.500 0.010 0.000 2.073 426 R HA -0.153 4.184 4.340 -0.005 0.000 0.234 426 R C 2.487 178.836 176.300 0.081 0.000 1.134 426 R CA 1.408 57.536 56.100 0.047 0.000 0.952 426 R CB -0.076 30.245 30.300 0.035 0.000 0.850 426 R HN 0.305 nan 8.270 nan 0.000 0.433 427 R N -0.344 120.184 120.500 0.047 0.000 2.096 427 R HA -0.076 4.261 4.340 -0.005 0.000 0.235 427 R C 2.191 178.567 176.300 0.127 0.000 1.127 427 R CA 1.709 57.861 56.100 0.086 0.000 0.968 427 R CB -0.128 30.182 30.300 0.018 0.000 0.861 427 R HN 0.317 nan 8.270 nan 0.000 0.440 428 M N 0.050 119.640 119.600 -0.017 0.000 2.514 428 M HA 0.033 4.510 4.480 -0.005 0.000 0.258 428 M C 0.871 177.314 176.300 0.240 0.000 1.119 428 M CA 0.026 55.236 55.300 -0.150 0.000 1.111 428 M CB 0.415 32.758 32.600 -0.428 0.000 1.390 428 M HN -0.075 nan 8.290 nan 0.000 0.475 429 S N 0.888 116.751 115.700 0.271 0.000 2.558 429 S HA -0.004 4.463 4.470 -0.005 0.000 0.293 429 S C 0.980 175.856 174.600 0.459 0.000 1.292 429 S CA -0.359 58.036 58.200 0.325 0.000 1.063 429 S CB 0.565 63.895 63.200 0.217 0.000 0.831 429 S HN 0.221 nan 8.310 nan 0.000 0.499 430 L N 5.462 126.905 121.223 0.368 0.000 2.291 430 L HA 0.134 4.471 4.340 -0.005 0.000 0.214 430 L C 0.478 177.456 176.870 0.179 0.000 1.120 430 L CA 0.839 55.845 54.840 0.277 0.000 0.799 430 L CB -0.482 41.680 42.059 0.172 0.000 0.925 430 L HN 0.487 nan 8.230 nan 0.000 0.446 431 V N 0.237 120.270 119.914 0.199 0.000 2.383 431 V HA 0.204 4.321 4.120 -0.005 0.000 0.275 431 V C 0.258 176.438 176.094 0.143 0.000 1.036 431 V CA -0.842 61.559 62.300 0.169 0.000 0.889 431 V CB 1.292 33.250 31.823 0.224 0.000 0.985 431 V HN 0.168 nan 8.190 nan 0.000 0.459 432 E N 4.563 124.823 120.200 0.101 0.000 2.134 432 E HA 0.306 4.653 4.350 -0.005 0.000 0.278 432 E C -0.488 176.160 176.600 0.080 0.000 0.959 432 E CA -0.668 55.781 56.400 0.081 0.000 0.783 432 E CB 0.950 30.672 29.700 0.035 0.000 1.095 432 E HN 0.646 nan 8.360 nan 0.000 0.399 433 E N 2.182 122.428 120.200 0.077 0.000 2.345 433 E HA 0.572 4.919 4.350 -0.005 0.000 0.259 433 E C 0.344 176.980 176.600 0.059 0.000 1.117 433 E CA -0.245 56.196 56.400 0.068 0.000 0.913 433 E CB 1.562 31.297 29.700 0.059 0.000 1.057 433 E HN 0.806 nan 8.360 nan 0.000 0.432 434 G N -0.876 107.958 108.800 0.056 0.000 2.362 434 G HA2 0.215 4.172 3.960 -0.005 0.000 0.288 434 G HA3 0.215 4.172 3.960 -0.005 0.000 0.288 434 G C 0.331 175.263 174.900 0.053 0.000 1.305 434 G CA 0.033 45.163 45.100 0.050 0.000 0.910 434 G HN 0.428 nan 8.290 nan 0.000 0.518 435 A N -1.136 121.714 122.820 0.050 0.000 1.892 435 A HA 0.308 4.625 4.320 -0.005 0.000 0.218 435 A C 1.267 178.891 177.584 0.067 0.000 1.188 435 A CA 2.500 54.568 52.037 0.050 0.000 0.631 435 A CB -0.551 18.475 19.000 0.044 0.000 0.822 435 A HN 1.572 nan 8.150 nan 0.000 0.447 436 V N 0.556 120.518 119.914 0.080 0.000 2.357 436 V HA 0.273 4.390 4.120 -0.005 0.000 0.284 436 V C 0.022 176.180 176.094 0.107 0.000 1.018 436 V CA -0.782 61.586 62.300 0.113 0.000 0.841 436 V CB 1.233 33.136 31.823 0.133 0.000 0.991 436 V HN 0.450 nan 8.190 nan 0.000 0.437 437 K N 5.242 125.714 120.400 0.121 0.000 2.339 437 K HA 0.463 4.780 4.320 -0.005 0.000 0.286 437 K C -0.138 176.527 176.600 0.110 0.000 1.050 437 K CA -0.124 56.231 56.287 0.114 0.000 0.956 437 K CB 0.524 33.101 32.500 0.129 0.000 0.990 437 K HN 0.660 nan 8.250 nan 0.000 0.475 438 R N 3.444 123.995 120.500 0.085 0.000 2.837 438 R HA 0.462 4.799 4.340 -0.005 0.000 0.271 438 R C -0.765 175.562 176.300 0.045 0.000 0.993 438 R CA -1.053 55.084 56.100 0.061 0.000 0.931 438 R CB 1.279 31.598 30.300 0.031 0.000 1.206 438 R HN 0.446 nan 8.270 nan 0.000 0.474 439 I N 2.029 122.619 120.570 0.033 0.000 2.315 439 I HA 0.138 4.305 4.170 -0.005 0.000 0.291 439 I C -0.073 176.014 176.117 -0.050 0.000 1.006 439 I CA -0.654 60.651 61.300 0.008 0.000 1.265 439 I CB 0.978 38.977 38.000 -0.001 0.000 1.387 439 I HN 0.508 nan 8.210 nan 0.000 0.475 440 N N 7.159 125.800 118.700 -0.099 0.000 2.401 440 N HA 0.099 4.836 4.740 -0.005 0.000 0.255 440 N C 0.754 176.160 175.510 -0.174 0.000 1.110 440 N CA -0.297 52.614 53.050 -0.232 0.000 0.949 440 N CB 1.031 39.215 38.487 -0.505 0.000 1.110 440 N HN 0.385 nan 8.380 nan 0.000 0.490 441 M N 2.502 121.995 119.600 -0.178 0.000 2.319 441 M HA -0.019 4.458 4.480 -0.005 0.000 0.265 441 M C 1.906 178.053 176.300 -0.254 0.000 1.068 441 M CA 0.575 55.789 55.300 -0.142 0.000 1.118 441 M CB -1.490 31.071 32.600 -0.066 0.000 1.395 441 M HN 0.608 nan 8.290 nan 0.000 0.435 442 A N -0.175 122.493 122.820 -0.253 0.000 1.902 442 A HA -0.177 4.140 4.320 -0.005 0.000 0.217 442 A C 1.997 179.343 177.584 -0.396 0.000 1.181 442 A CA 1.503 53.335 52.037 -0.343 0.000 0.623 442 A CB -1.149 17.862 19.000 0.018 0.000 0.818 442 A HN 0.578 nan 8.150 nan 0.000 0.443 443 H N -1.421 117.437 119.070 -0.353 0.000 2.353 443 H HA -0.134 4.419 4.556 -0.005 0.000 0.300 443 H C 2.125 177.247 175.328 -0.344 0.000 1.090 443 H CA 1.203 57.032 56.048 -0.366 0.000 1.327 443 H CB -0.086 29.697 29.762 0.036 0.000 1.383 443 H HN 0.434 nan 8.280 nan 0.000 0.508 444 L N 0.759 121.913 121.223 -0.115 0.000 2.012 444 L HA -0.187 4.150 4.340 -0.005 0.000 0.210 444 L C 2.345 179.085 176.870 -0.218 0.000 1.073 444 L CA 1.493 56.256 54.840 -0.129 0.000 0.748 444 L CB -0.797 41.214 42.059 -0.080 0.000 0.891 444 L HN 0.297 nan 8.230 nan 0.000 0.431 445 C N -0.412 118.652 119.300 -0.393 0.000 2.429 445 C HA -0.126 4.331 4.460 -0.005 0.000 0.277 445 C C 2.695 177.439 174.990 -0.411 0.000 1.262 445 C CA 1.009 59.718 59.018 -0.517 0.000 1.733 445 C CB -0.936 26.101 27.740 -1.172 0.000 2.010 445 C HN 0.622 nan 8.230 nan 0.000 0.483 446 I N 1.452 121.725 120.570 -0.495 0.000 2.202 446 I HA -0.185 3.982 4.170 -0.005 0.000 0.242 446 I C 2.776 178.740 176.117 -0.255 0.000 1.091 446 I CA 1.628 62.679 61.300 -0.416 0.000 1.368 446 I CB -0.646 36.935 38.000 -0.698 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.692 123.312 122.820 -0.332 0.000 1.940 447 A HA -0.133 4.184 4.320 -0.005 0.000 0.219 447 A C 2.226 179.851 177.584 0.069 0.000 1.176 447 A CA 2.012 53.860 52.037 -0.315 0.000 0.631 447 A CB -1.208 17.381 19.000 -0.686 0.000 0.814 447 A HN 0.497 nan 8.150 nan 0.000 0.446 448 G N -1.391 107.405 108.800 -0.006 0.000 3.284 448 G HA2 0.415 4.372 3.960 -0.005 0.000 0.236 448 G HA3 0.415 4.372 3.960 -0.005 0.000 0.236 448 G C 0.109 174.862 174.900 -0.246 0.000 1.158 448 G CA 0.511 45.517 45.100 -0.156 0.000 0.774 448 G HN 0.350 nan 8.290 nan 0.000 0.545 449 S N -0.241 115.365 115.700 -0.157 0.000 2.536 449 S HA 0.320 4.787 4.470 -0.005 0.000 0.298 449 S C 0.765 175.319 174.600 -0.076 0.000 1.083 449 S CA -0.706 57.424 58.200 -0.117 0.000 0.995 449 S CB 1.295 64.426 63.200 -0.116 0.000 1.058 449 S HN 0.498 nan 8.310 nan 0.000 0.488 450 H N 0.100 119.138 119.070 -0.053 0.000 2.548 450 H HA 0.450 5.003 4.556 -0.005 0.000 0.268 450 H C 0.188 175.515 175.328 -0.002 0.000 0.975 450 H CA 0.337 56.384 56.048 -0.002 0.000 1.195 450 H CB 0.136 29.907 29.762 0.016 0.000 1.397 450 H HN 0.505 nan 8.280 nan 0.000 0.572 451 A N 1.046 123.545 122.820 -0.535 0.000 2.455 451 A HA 0.573 4.890 4.320 -0.005 0.000 0.300 451 A C -1.353 176.024 177.584 -0.345 0.000 1.040 451 A CA -0.587 51.205 52.037 -0.408 0.000 0.697 451 A CB 2.354 21.086 19.000 -0.447 0.000 1.265 451 A HN 0.101 nan 8.150 nan 0.000 0.407 452 V N 4.153 123.823 119.914 -0.407 0.000 2.525 452 V HA 0.505 4.622 4.120 -0.005 0.000 0.299 452 V C -0.839 175.026 176.094 -0.380 0.000 1.034 452 V CA -0.783 61.239 62.300 -0.462 0.000 0.863 452 V CB 1.798 33.160 31.823 -0.770 0.000 0.999 452 V HN 1.018 nan 8.190 nan 0.000 0.423 453 N N 3.222 121.725 118.700 -0.328 0.000 2.240 453 N HA 0.611 5.348 4.740 -0.005 0.000 0.302 453 N C -0.229 175.155 175.510 -0.210 0.000 1.106 453 N CA -0.363 52.549 53.050 -0.230 0.000 0.778 453 N CB 2.911 41.254 38.487 -0.240 0.000 1.431 453 N HN 0.627 nan 8.380 nan 0.000 0.479 454 G N -0.676 108.050 108.800 -0.124 0.000 2.535 454 G HA2 0.414 4.371 3.960 -0.005 0.000 0.303 454 G HA3 0.414 4.371 3.960 -0.005 0.000 0.303 454 G C 0.812 175.774 174.900 0.103 0.000 1.237 454 G CA -0.427 44.673 45.100 0.001 0.000 0.986 454 G HN 0.628 nan 8.290 nan 0.000 0.494 455 V N -3.903 116.179 119.914 0.280 0.000 3.528 455 V HA 0.691 4.808 4.120 -0.005 0.000 0.294 455 V C 0.634 176.804 176.094 0.127 0.000 1.404 455 V CA 0.527 62.905 62.300 0.131 0.000 1.065 455 V CB -0.690 31.168 31.823 0.058 0.000 0.904 455 V HN 1.234 nan 8.190 nan 0.000 0.435 456 A N -0.116 122.792 122.820 0.146 0.000 2.612 456 A HA 0.679 4.996 4.320 -0.005 0.000 0.293 456 A C 0.698 178.333 177.584 0.086 0.000 1.075 456 A CA -0.182 51.919 52.037 0.107 0.000 0.680 456 A CB 1.312 20.362 19.000 0.084 0.000 1.279 456 A HN 0.019 nan 8.150 nan 0.000 0.411 457 R N 0.394 120.925 120.500 0.051 0.000 2.096 457 R HA -0.151 4.186 4.340 -0.005 0.000 0.240 457 R C 1.761 178.064 176.300 0.004 0.000 1.139 457 R CA 2.240 58.349 56.100 0.014 0.000 0.952 457 R CB -0.277 30.026 30.300 0.005 0.000 0.854 457 R HN 0.803 nan 8.270 nan 0.000 0.436 458 I N 0.124 120.705 120.570 0.018 0.000 2.286 458 I HA -0.316 3.851 4.170 -0.005 0.000 0.248 458 I C 2.280 178.413 176.117 0.026 0.000 1.115 458 I CA 1.955 63.260 61.300 0.007 0.000 1.392 458 I CB -0.180 37.822 38.000 0.004 0.000 1.065 458 I HN 0.350 nan 8.210 nan 0.000 0.418 459 H N 0.155 119.202 119.070 -0.039 0.000 2.333 459 H HA -0.090 4.463 4.556 -0.005 0.000 0.302 459 H C 2.286 177.592 175.328 -0.035 0.000 1.075 459 H CA 2.119 58.143 56.048 -0.040 0.000 1.348 459 H CB -0.239 29.504 29.762 -0.032 0.000 1.393 459 H HN 0.240 nan 8.280 nan 0.000 0.509 460 S N 0.558 116.164 115.700 -0.157 0.000 2.399 460 S HA -0.138 4.329 4.470 -0.005 0.000 0.231 460 S C 1.874 176.373 174.600 -0.169 0.000 1.022 460 S CA 1.233 59.322 58.200 -0.185 0.000 0.983 460 S CB -0.090 63.062 63.200 -0.080 0.000 0.803 460 S HN 0.481 nan 8.310 nan 0.000 0.480 461 E N 0.913 121.029 120.200 -0.140 0.000 2.072 461 E HA -0.035 4.312 4.350 -0.005 0.000 0.191 461 E C 2.000 178.484 176.600 -0.193 0.000 0.985 461 E CA 0.651 56.952 56.400 -0.164 0.000 0.801 461 E CB -0.385 29.248 29.700 -0.112 0.000 0.750 461 E HN 0.417 nan 8.360 nan 0.000 0.452 462 I N 0.985 121.459 120.570 -0.160 0.000 2.614 462 I HA -0.172 3.995 4.170 -0.005 0.000 0.258 462 I C 2.125 178.128 176.117 -0.191 0.000 1.189 462 I CA 0.587 61.795 61.300 -0.152 0.000 1.462 462 I CB -0.056 37.887 38.000 -0.096 0.000 1.092 462 I HN 0.014 nan 8.210 nan 0.000 0.442 463 L N -0.213 120.880 121.223 -0.217 0.000 2.046 463 L HA -0.224 4.113 4.340 -0.005 0.000 0.208 463 L C 2.369 179.137 176.870 -0.170 0.000 1.077 463 L CA 1.462 56.232 54.840 -0.118 0.000 0.747 463 L CB -0.678 41.403 42.059 0.037 0.000 0.896 463 L HN 0.163 nan 8.230 nan 0.000 0.432 464 K N -0.100 120.076 120.400 -0.374 0.000 2.167 464 K HA -0.109 4.208 4.320 -0.005 0.000 0.203 464 K C 2.103 178.427 176.600 -0.460 0.000 1.052 464 K CA 0.878 56.725 56.287 -0.733 0.000 0.956 464 K CB 0.050 31.802 32.500 -1.247 0.000 0.735 464 K HN 0.230 nan 8.250 nan 0.000 0.451 465 K N -0.029 120.190 120.400 -0.303 0.000 2.044 465 K HA -0.072 4.245 4.320 -0.005 0.000 0.204 465 K C 2.257 178.787 176.600 -0.117 0.000 1.049 465 K CA 1.867 58.046 56.287 -0.180 0.000 0.945 465 K CB 0.185 32.597 32.500 -0.146 0.000 0.724 465 K HN 0.269 nan 8.250 nan 0.000 0.440 466 T N -2.043 112.436 114.554 -0.125 0.000 3.321 466 T HA 0.097 4.444 4.350 -0.005 0.000 0.251 466 T C 1.870 176.497 174.700 -0.122 0.000 0.999 466 T CA -0.185 61.855 62.100 -0.100 0.000 1.186 466 T CB -0.485 68.329 68.868 -0.090 0.000 1.163 466 T HN -0.086 nan 8.240 nan 0.000 0.399 467 I N 1.027 121.469 120.570 -0.213 0.000 2.127 467 I HA 0.053 4.220 4.170 -0.005 0.000 0.241 467 I C 1.125 176.953 176.117 -0.482 0.000 1.075 467 I CA 1.701 62.750 61.300 -0.419 0.000 1.334 467 I CB -0.311 37.317 38.000 -0.619 0.000 1.040 467 I HN 0.287 nan 8.210 nan 0.000 0.405 468 F N -0.021 119.982 119.950 0.089 0.000 2.908 468 F HA 0.266 4.790 4.527 -0.005 0.000 0.328 468 F C 1.700 177.568 175.800 0.114 0.000 1.211 468 F CA -0.426 57.708 58.000 0.223 0.000 1.291 468 F CB -0.041 39.139 39.000 0.299 0.000 0.962 468 F HN -0.145 nan 8.300 nan 0.000 0.505 469 K N 0.972 121.445 120.400 0.123 0.000 2.059 469 K HA -0.234 4.083 4.320 -0.005 0.000 0.212 469 K C 1.293 177.935 176.600 0.070 0.000 1.050 469 K CA 2.368 58.685 56.287 0.051 0.000 0.927 469 K CB -0.013 32.486 32.500 -0.002 0.000 0.714 469 K HN 0.244 nan 8.250 nan 0.000 0.447 470 D N -0.399 120.021 120.400 0.034 0.000 2.144 470 D HA -0.130 4.507 4.640 -0.005 0.000 0.200 470 D C 1.870 178.112 176.300 -0.097 0.000 0.978 470 D CA 1.106 55.022 54.000 -0.142 0.000 0.833 470 D CB -0.219 40.415 40.800 -0.277 0.000 0.961 470 D HN 0.244 nan 8.370 nan 0.000 0.470 471 F N 0.177 120.217 119.950 0.150 0.000 2.186 471 F HA -0.162 4.362 4.527 -0.005 0.000 0.299 471 F C 2.364 178.332 175.800 0.280 0.000 1.090 471 F CA 0.598 58.775 58.000 0.294 0.000 1.307 471 F CB -0.645 38.615 39.000 0.434 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.279 121.565 120.300 -0.023 0.000 2.181 472 Y HA -0.196 4.351 4.550 -0.005 0.000 0.288 472 Y C 2.150 178.032 175.900 -0.031 0.000 1.146 472 Y CA 1.674 59.568 58.100 -0.344 0.000 1.164 472 Y CB -0.629 37.430 38.460 -0.668 0.000 0.982 472 Y HN 0.127 nan 8.280 nan 0.000 0.515 473 E N -0.389 119.760 120.200 -0.086 0.000 2.150 473 E HA -0.193 4.154 4.350 -0.005 0.000 0.193 473 E C 2.005 178.673 176.600 0.113 0.000 0.985 473 E CA 1.155 57.514 56.400 -0.067 0.000 0.814 473 E CB -0.260 29.427 29.700 -0.021 0.000 0.752 473 E HN 0.433 nan 8.360 nan 0.000 0.466 474 L N 0.950 122.280 121.223 0.178 0.000 2.044 474 L HA -0.068 4.269 4.340 -0.005 0.000 0.205 474 L C 0.211 177.167 176.870 0.144 0.000 1.075 474 L CA 1.717 56.705 54.840 0.246 0.000 0.747 474 L CB 0.352 42.551 42.059 0.233 0.000 0.903 474 L HN -0.105 nan 8.230 nan 0.000 0.435 475 E N -0.306 119.961 120.200 0.113 0.000 3.132 475 E HA 0.180 4.527 4.350 -0.005 0.000 0.241 475 E C -1.997 174.484 176.600 -0.198 0.000 1.196 475 E CA -1.247 55.098 56.400 -0.093 0.000 0.869 475 E CB 0.875 30.554 29.700 -0.034 0.000 1.387 475 E HN 0.198 nan 8.360 nan 0.000 0.393 476 P HA -0.234 nan 4.420 nan 0.000 0.218 476 P C 1.209 178.571 177.300 0.104 0.000 1.149 476 P CA 1.339 64.303 63.100 -0.227 0.000 0.817 476 P CB -0.035 31.415 31.700 -0.418 0.000 0.785 477 H N 0.300 119.467 119.070 0.162 0.000 2.489 477 H HA -0.016 4.537 4.556 -0.005 0.000 0.293 477 H C 1.818 177.242 175.328 0.160 0.000 1.066 477 H CA 1.056 57.194 56.048 0.150 0.000 1.305 477 H CB -0.641 29.181 29.762 0.100 0.000 1.386 477 H HN 0.150 nan 8.280 nan 0.000 0.551 478 K N 0.565 120.888 120.400 -0.129 0.000 2.097 478 K HA -0.026 4.291 4.320 -0.005 0.000 0.205 478 K C -0.081 176.437 176.600 -0.136 0.000 1.050 478 K CA 0.359 56.582 56.287 -0.108 0.000 0.938 478 K CB 0.025 32.376 32.500 -0.249 0.000 0.718 478 K HN 0.061 nan 8.250 nan 0.000 0.442 479 F N 1.732 121.713 119.950 0.052 0.000 2.420 479 F HA 0.204 4.728 4.527 -0.005 0.000 0.352 479 F C 0.343 176.144 175.800 0.002 0.000 1.108 479 F CA -0.167 57.861 58.000 0.046 0.000 1.162 479 F CB 1.179 40.260 39.000 0.135 0.000 1.118 479 F HN 0.013 nan 8.300 nan 0.000 0.510 480 Q N 1.928 121.752 119.800 0.040 0.000 2.528 480 Q HA 0.337 4.674 4.340 -0.005 0.000 0.289 480 Q C -1.156 174.802 176.000 -0.071 0.000 1.091 480 Q CA -1.238 54.544 55.803 -0.035 0.000 0.797 480 Q CB 3.111 31.773 28.738 -0.125 0.000 1.466 480 Q HN 0.620 nan 8.270 nan 0.000 0.436 481 N N 0.751 119.393 118.700 -0.097 0.000 2.314 481 N HA 0.258 4.995 4.740 -0.005 0.000 0.304 481 N C -1.370 174.036 175.510 -0.174 0.000 1.073 481 N CA -0.389 52.599 53.050 -0.103 0.000 0.822 481 N CB 0.969 39.419 38.487 -0.062 0.000 1.280 481 N HN 0.276 nan 8.380 nan 0.000 0.489 482 K N 2.827 123.126 120.400 -0.168 0.000 2.701 482 K HA 0.176 4.493 4.320 -0.005 0.000 0.212 482 K C -0.892 175.709 176.600 0.002 0.000 1.035 482 K CA -0.480 55.681 56.287 -0.210 0.000 1.048 482 K CB 1.124 33.266 32.500 -0.596 0.000 1.234 482 K HN 0.547 nan 8.250 nan 0.000 0.540 483 T N 2.046 116.619 114.554 0.031 0.000 2.908 483 T HA 0.017 4.364 4.350 -0.005 0.000 0.301 483 T C 0.806 175.627 174.700 0.202 0.000 1.019 483 T CA 0.490 62.660 62.100 0.117 0.000 1.152 483 T CB 0.223 69.161 68.868 0.117 0.000 0.966 483 T HN 0.361 nan 8.240 nan 0.000 0.540 484 N N 0.586 119.429 118.700 0.239 0.000 2.267 484 N HA 0.405 5.142 4.740 -0.005 0.000 0.226 484 N C 0.502 176.201 175.510 0.315 0.000 1.314 484 N CA -0.150 53.076 53.050 0.294 0.000 0.887 484 N CB 0.380 38.984 38.487 0.194 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.712 108.283 108.800 0.325 0.000 2.687 485 G HA2 0.612 4.569 3.960 -0.005 0.000 0.291 485 G HA3 0.612 4.569 3.960 -0.005 0.000 0.291 485 G C -1.438 173.601 174.900 0.232 0.000 1.420 485 G CA -0.743 44.534 45.100 0.295 0.000 0.796 485 G HN 0.600 nan 8.290 nan 0.000 0.485 486 I N -2.430 118.263 120.570 0.204 0.000 2.828 486 I HA 0.744 4.911 4.170 -0.005 0.000 0.302 486 I C -0.240 176.045 176.117 0.278 0.000 1.101 486 I CA -0.956 60.458 61.300 0.189 0.000 1.031 486 I CB 2.450 40.439 38.000 -0.019 0.000 1.231 486 I HN 0.480 nan 8.210 nan 0.000 0.427 487 T N 4.241 119.024 114.554 0.381 0.000 2.814 487 T HA 0.363 4.710 4.350 -0.005 0.000 0.297 487 T C -1.500 173.334 174.700 0.224 0.000 0.956 487 T CA -1.575 60.672 62.100 0.244 0.000 1.123 487 T CB 0.745 69.700 68.868 0.145 0.000 0.902 487 T HN 0.633 nan 8.240 nan 0.000 0.528 488 P HA 0.092 nan 4.420 nan 0.000 0.245 488 P C 1.004 178.281 177.300 -0.039 0.000 1.212 488 P CA 0.176 63.326 63.100 0.084 0.000 0.774 488 P CB 0.383 32.123 31.700 0.068 0.000 0.999 489 R N 0.598 121.031 120.500 -0.113 0.000 2.065 489 R HA 0.026 4.363 4.340 -0.005 0.000 0.224 489 R C 2.650 178.837 176.300 -0.188 0.000 1.161 489 R CA 1.516 57.503 56.100 -0.188 0.000 0.923 489 R CB -1.362 28.832 30.300 -0.177 0.000 0.822 489 R HN 0.006 nan 8.270 nan 0.000 0.437 490 R N -0.710 119.623 120.500 -0.277 0.000 2.091 490 R HA -0.155 4.182 4.340 -0.005 0.000 0.238 490 R C 1.201 177.161 176.300 -0.567 0.000 1.136 490 R CA 1.927 57.701 56.100 -0.543 0.000 0.959 490 R CB -0.226 29.558 30.300 -0.861 0.000 0.856 490 R HN 0.323 nan 8.270 nan 0.000 0.437 491 W N -0.632 120.631 121.300 -0.061 0.000 3.353 491 W HA 0.163 4.820 4.660 -0.006 0.000 0.304 491 W C 1.010 177.505 176.519 -0.039 0.000 1.273 491 W CA -0.705 56.604 57.345 -0.059 0.000 1.773 491 W CB 0.445 29.877 29.460 -0.047 0.000 1.095 491 W HN 0.229 nan 8.180 nan 0.000 0.676 492 L N -2.309 118.975 121.223 0.101 0.000 2.511 492 L HA 0.203 4.540 4.340 -0.005 0.000 0.173 492 L C 1.694 178.582 176.870 0.030 0.000 1.160 492 L CA 0.804 55.696 54.840 0.088 0.000 0.964 492 L CB -0.803 41.337 42.059 0.135 0.000 1.892 492 L HN -0.249 nan 8.230 nan 0.000 0.497 493 V N 1.403 121.309 119.914 -0.013 0.000 2.343 493 V HA -0.235 3.882 4.120 -0.005 0.000 0.247 493 V C 2.473 178.538 176.094 -0.049 0.000 1.051 493 V CA 2.276 64.557 62.300 -0.032 0.000 1.036 493 V CB -0.600 31.167 31.823 -0.093 0.000 0.654 493 V HN 0.371 nan 8.190 nan 0.000 0.451 494 L N 0.452 121.616 121.223 -0.099 0.000 2.007 494 L HA -0.140 4.197 4.340 -0.005 0.000 0.205 494 L C 2.789 179.596 176.870 -0.106 0.000 1.073 494 L CA 1.974 56.741 54.840 -0.122 0.000 0.744 494 L CB -1.093 40.842 42.059 -0.206 0.000 0.898 494 L HN 0.606 nan 8.230 nan 0.000 0.435 495 C N -1.901 117.327 119.300 -0.121 0.000 2.468 495 C HA 0.083 4.540 4.460 -0.005 0.000 0.277 495 C C 1.321 176.293 174.990 -0.030 0.000 1.400 495 C CA -0.065 58.901 59.018 -0.087 0.000 1.770 495 C CB -0.912 26.775 27.740 -0.088 0.000 1.905 495 C HN 0.517 nan 8.230 nan 0.000 0.519 496 N N 1.012 119.706 118.700 -0.010 0.000 2.703 496 N HA 0.282 5.019 4.740 -0.005 0.000 0.283 496 N C -1.782 173.739 175.510 0.017 0.000 1.851 496 N CA -1.585 51.471 53.050 0.010 0.000 0.826 496 N CB 0.675 39.177 38.487 0.025 0.000 1.239 496 N HN 0.257 nan 8.380 nan 0.000 0.495 497 P HA -0.039 nan 4.420 nan 0.000 0.218 497 P C 1.402 178.717 177.300 0.025 0.000 1.149 497 P CA 0.873 63.984 63.100 0.018 0.000 0.817 497 P CB 0.223 31.926 31.700 0.006 0.000 0.785 498 G N 0.536 109.345 108.800 0.015 0.000 2.440 498 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.218 498 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.218 498 G C 1.509 176.414 174.900 0.008 0.000 1.154 498 G CA 0.603 45.708 45.100 0.008 0.000 0.767 498 G HN 0.247 nan 8.290 nan 0.000 0.552 499 L N 1.108 122.338 121.223 0.012 0.000 2.095 499 L HA 0.330 4.667 4.340 -0.005 0.000 0.204 499 L C 3.060 179.957 176.870 0.046 0.000 1.080 499 L CA 1.849 56.695 54.840 0.009 0.000 0.759 499 L CB -0.681 41.383 42.059 0.009 0.000 0.914 499 L HN 0.217 nan 8.230 nan 0.000 0.439 500 A N -0.749 122.120 122.820 0.083 0.000 1.940 500 A HA -0.262 4.054 4.320 -0.005 0.000 0.219 500 A C 2.236 179.920 177.584 0.166 0.000 1.176 500 A CA 1.891 54.031 52.037 0.171 0.000 0.631 500 A CB -0.619 18.478 19.000 0.160 0.000 0.814 500 A HN 0.536 nan 8.150 nan 0.000 0.446 501 E N 0.522 120.779 120.200 0.095 0.000 2.028 501 E HA -0.139 4.208 4.350 -0.005 0.000 0.190 501 E C 1.841 178.482 176.600 0.069 0.000 0.984 501 E CA 1.479 57.925 56.400 0.077 0.000 0.800 501 E CB -0.501 29.226 29.700 0.044 0.000 0.758 501 E HN 0.736 nan 8.360 nan 0.000 0.448 502 I N -1.571 119.033 120.570 0.056 0.000 2.454 502 I HA -0.152 4.015 4.170 -0.005 0.000 0.254 502 I C 2.096 178.295 176.117 0.136 0.000 1.156 502 I CA 1.148 62.497 61.300 0.082 0.000 1.433 502 I CB -0.329 37.694 38.000 0.040 0.000 1.082 502 I HN 0.030 nan 8.210 nan 0.000 0.432 503 I N 1.848 122.468 120.570 0.085 0.000 2.233 503 I HA -0.171 3.996 4.170 -0.005 0.000 0.243 503 I C 2.997 179.076 176.117 -0.062 0.000 1.093 503 I CA 1.291 62.557 61.300 -0.056 0.000 1.380 503 I CB -0.501 37.329 38.000 -0.284 0.000 1.067 503 I HN 0.296 nan 8.210 nan 0.000 0.413 504 A N 0.408 123.288 122.820 0.100 0.000 1.972 504 A HA -0.230 4.087 4.320 -0.005 0.000 0.219 504 A C 2.157 179.785 177.584 0.073 0.000 1.169 504 A CA 1.634 53.782 52.037 0.185 0.000 0.635 504 A CB -0.607 18.525 19.000 0.220 0.000 0.810 504 A HN 0.452 nan 8.150 nan 0.000 0.446 505 E N -0.845 119.374 120.200 0.033 0.000 2.153 505 E HA -0.188 4.159 4.350 -0.005 0.000 0.194 505 E C 2.147 178.720 176.600 -0.045 0.000 0.988 505 E CA 0.987 57.389 56.400 0.002 0.000 0.811 505 E CB -0.020 29.682 29.700 0.005 0.000 0.746 505 E HN 0.403 nan 8.360 nan 0.000 0.466 506 R N 0.030 120.457 120.500 -0.122 0.000 2.123 506 R HA 0.100 4.437 4.340 -0.005 0.000 0.209 506 R C 2.245 178.505 176.300 -0.066 0.000 1.078 506 R CA 0.767 56.740 56.100 -0.211 0.000 1.028 506 R CB -0.231 29.658 30.300 -0.685 0.000 0.939 506 R HN 0.320 nan 8.270 nan 0.000 0.463 507 I N -3.155 117.391 120.570 -0.040 0.000 4.081 507 I HA 0.448 4.615 4.170 -0.005 0.000 0.333 507 I C 0.487 176.663 176.117 0.098 0.000 1.413 507 I CA 0.078 61.398 61.300 0.034 0.000 1.110 507 I CB 0.702 38.710 38.000 0.014 0.000 1.082 507 I HN 0.153 nan 8.210 nan 0.000 0.402 508 G N 2.260 111.123 108.800 0.105 0.000 2.693 508 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.226 508 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.226 508 G C 0.037 175.069 174.900 0.219 0.000 1.354 508 G CA 0.363 45.539 45.100 0.126 0.000 0.873 508 G HN 0.502 nan 8.290 nan 0.000 0.562 509 E N -0.085 120.188 120.200 0.122 0.000 2.476 509 E HA 0.125 4.472 4.350 -0.005 0.000 0.199 509 E C 2.031 178.562 176.600 -0.114 0.000 1.021 509 E CA 0.359 56.762 56.400 0.004 0.000 0.907 509 E CB 0.311 30.015 29.700 0.005 0.000 0.974 509 E HN 0.637 nan 8.360 nan 0.000 0.489 510 E N 0.460 120.672 120.200 0.019 0.000 2.160 510 E HA -0.231 4.116 4.350 -0.005 0.000 0.195 510 E C 1.698 178.284 176.600 -0.023 0.000 0.991 510 E CA 1.283 57.690 56.400 0.012 0.000 0.810 510 E CB -0.243 29.491 29.700 0.057 0.000 0.742 510 E HN 0.496 nan 8.360 nan 0.000 0.466 511 Y N -0.235 120.075 120.300 0.016 0.000 2.384 511 Y HA -0.157 4.390 4.550 -0.004 0.000 0.289 511 Y C 1.773 177.658 175.900 -0.026 0.000 1.152 511 Y CA 0.734 58.836 58.100 0.003 0.000 1.258 511 Y CB -0.591 37.875 38.460 0.010 0.000 0.979 511 Y HN -0.040 nan 8.280 nan 0.000 0.549 512 I N 0.848 120.951 120.570 -0.778 0.000 2.361 512 I HA -0.225 3.942 4.170 -0.005 0.000 0.251 512 I C 1.543 177.426 176.117 -0.391 0.000 1.133 512 I CA 1.790 62.669 61.300 -0.702 0.000 1.413 512 I CB -0.372 37.109 38.000 -0.864 0.000 1.073 512 I HN 0.488 nan 8.210 nan 0.000 0.424 513 S N -1.897 113.681 115.700 -0.203 0.000 2.809 513 S HA 0.230 4.697 4.470 -0.005 0.000 0.248 513 S C -0.039 174.555 174.600 -0.011 0.000 1.071 513 S CA -0.568 57.588 58.200 -0.074 0.000 1.059 513 S CB 0.296 63.504 63.200 0.013 0.000 0.923 513 S HN 0.280 nan 8.310 nan 0.000 0.516 514 D N 0.641 121.043 120.400 0.003 0.000 3.285 514 D HA 0.202 4.839 4.640 -0.005 0.000 0.273 514 D C 0.437 176.785 176.300 0.080 0.000 1.295 514 D CA -0.339 53.684 54.000 0.038 0.000 0.762 514 D CB 0.226 41.050 40.800 0.041 0.000 1.379 514 D HN 0.173 nan 8.370 nan 0.000 0.612 515 L N 0.754 122.026 121.223 0.082 0.000 2.265 515 L HA -0.014 4.323 4.340 -0.005 0.000 0.215 515 L C 1.428 178.355 176.870 0.096 0.000 1.117 515 L CA 1.600 56.518 54.840 0.131 0.000 0.782 515 L CB -0.079 42.051 42.059 0.118 0.000 0.914 515 L HN 0.222 nan 8.230 nan 0.000 0.441 516 D N -0.712 119.719 120.400 0.052 0.000 2.265 516 D HA -0.226 4.411 4.640 -0.005 0.000 0.208 516 D C 1.885 178.209 176.300 0.039 0.000 0.977 516 D CA 0.855 54.871 54.000 0.026 0.000 0.871 516 D CB 0.031 40.832 40.800 0.002 0.000 0.925 516 D HN 0.571 nan 8.370 nan 0.000 0.485 517 Q N -0.038 119.803 119.800 0.068 0.000 2.364 517 Q HA -0.037 4.300 4.340 -0.005 0.000 0.209 517 Q C 2.267 178.293 176.000 0.043 0.000 0.977 517 Q CA 0.210 56.055 55.803 0.070 0.000 0.885 517 Q CB 0.034 28.843 28.738 0.118 0.000 0.941 517 Q HN 0.396 nan 8.270 nan 0.000 0.464 518 L N 0.109 121.353 121.223 0.034 0.000 2.353 518 L HA -0.177 4.159 4.340 -0.005 0.000 0.220 518 L C 2.197 179.071 176.870 0.006 0.000 1.133 518 L CA 0.850 55.680 54.840 -0.016 0.000 0.798 518 L CB -0.324 41.735 42.059 0.001 0.000 0.922 518 L HN 0.198 nan 8.230 nan 0.000 0.445 519 R N 0.296 120.806 120.500 0.016 0.000 2.193 519 R HA -0.163 4.174 4.340 -0.005 0.000 0.229 519 R C 2.087 178.387 176.300 -0.001 0.000 1.110 519 R CA 0.940 57.047 56.100 0.011 0.000 0.988 519 R CB -0.156 30.147 30.300 0.005 0.000 0.871 519 R HN 0.394 nan 8.270 nan 0.000 0.458 520 K N 0.583 120.983 120.400 -0.001 0.000 2.211 520 K HA -0.112 4.205 4.320 -0.005 0.000 0.204 520 K C 1.809 178.414 176.600 0.007 0.000 1.047 520 K CA 0.968 57.250 56.287 -0.008 0.000 0.935 520 K CB -0.089 32.422 32.500 0.018 0.000 0.728 520 K HN 0.203 nan 8.250 nan 0.000 0.452 521 L N 0.844 122.088 121.223 0.035 0.000 2.456 521 L HA -0.110 4.227 4.340 -0.005 0.000 0.224 521 L C 1.909 178.828 176.870 0.083 0.000 1.148 521 L CA 0.465 55.360 54.840 0.091 0.000 0.825 521 L CB -0.360 41.715 42.059 0.027 0.000 0.937 521 L HN 0.184 nan 8.230 nan 0.000 0.450 522 L N -0.875 120.356 121.223 0.013 0.000 2.265 522 L HA -0.156 4.181 4.340 -0.005 0.000 0.215 522 L C 2.402 179.220 176.870 -0.087 0.000 1.117 522 L CA 0.681 55.517 54.840 -0.008 0.000 0.782 522 L CB -0.365 41.685 42.059 -0.014 0.000 0.914 522 L HN 0.203 nan 8.230 nan 0.000 0.441 523 S N -1.204 114.358 115.700 -0.230 0.000 2.547 523 S HA -0.098 4.369 4.470 -0.005 0.000 0.235 523 S C 0.863 175.119 174.600 -0.574 0.000 0.980 523 S CA 0.776 58.709 58.200 -0.445 0.000 0.941 523 S CB -0.174 62.637 63.200 -0.648 0.000 0.763 523 S HN 0.428 nan 8.310 nan 0.000 0.532 524 Y N -0.155 120.082 120.300 -0.106 0.000 2.584 524 Y HA 0.242 4.790 4.550 -0.004 0.000 0.254 524 Y C 1.751 177.694 175.900 0.071 0.000 1.177 524 Y CA -0.694 57.359 58.100 -0.080 0.000 1.216 524 Y CB -0.411 37.838 38.460 -0.352 0.000 1.172 524 Y HN 0.156 nan 8.280 nan 0.000 0.529 525 V N -2.614 117.382 119.914 0.136 0.000 2.720 525 V HA -0.173 3.944 4.120 -0.005 0.000 0.256 525 V C 0.773 176.930 176.094 0.105 0.000 1.082 525 V CA 2.082 64.457 62.300 0.125 0.000 1.101 525 V CB -0.029 31.831 31.823 0.061 0.000 0.693 525 V HN 0.246 nan 8.190 nan 0.000 0.479 526 D N -0.380 120.071 120.400 0.085 0.000 2.479 526 D HA 0.152 4.789 4.640 -0.005 0.000 0.218 526 D C 0.227 176.582 176.300 0.092 0.000 1.177 526 D CA 0.063 54.103 54.000 0.068 0.000 0.830 526 D CB 0.216 41.034 40.800 0.030 0.000 1.014 526 D HN 0.543 nan 8.370 nan 0.000 0.503 527 D N 1.945 122.439 120.400 0.157 0.000 2.336 527 D HA -0.012 4.625 4.640 -0.005 0.000 0.249 527 D C 1.129 177.533 176.300 0.173 0.000 1.213 527 D CA -0.022 54.094 54.000 0.192 0.000 0.870 527 D CB 1.275 42.278 40.800 0.337 0.000 1.076 527 D HN -0.121 nan 8.370 nan 0.000 0.483 528 E N 2.994 123.261 120.200 0.112 0.000 2.118 528 E HA -0.186 4.161 4.350 -0.005 0.000 0.195 528 E C 1.711 178.358 176.600 0.079 0.000 0.992 528 E CA 0.892 57.339 56.400 0.078 0.000 0.804 528 E CB -0.169 29.562 29.700 0.051 0.000 0.741 528 E HN 0.642 nan 8.360 nan 0.000 0.458 529 A N 0.644 123.523 122.820 0.099 0.000 1.873 529 A HA -0.138 4.179 4.320 -0.005 0.000 0.215 529 A C 2.131 179.779 177.584 0.106 0.000 1.186 529 A CA 1.108 53.195 52.037 0.084 0.000 0.616 529 A CB -0.875 18.175 19.000 0.082 0.000 0.823 529 A HN 0.266 nan 8.150 nan 0.000 0.442 530 F N 0.388 120.326 119.950 -0.020 0.000 2.113 530 F HA -0.128 4.397 4.527 -0.004 0.000 0.297 530 F C 2.064 177.854 175.800 -0.017 0.000 1.103 530 F CA 1.572 59.542 58.000 -0.051 0.000 1.248 530 F CB -0.108 38.847 39.000 -0.075 0.000 0.999 530 F HN 0.155 nan 8.300 nan 0.000 0.475 531 I N 0.237 120.835 120.570 0.047 0.000 2.151 531 I HA -0.373 3.794 4.170 -0.005 0.000 0.243 531 I C 2.672 178.736 176.117 -0.087 0.000 1.080 531 I CA 1.662 62.940 61.300 -0.035 0.000 1.339 531 I CB -0.596 37.425 38.000 0.036 0.000 1.039 531 I HN 0.140 nan 8.210 nan 0.000 0.409 532 R N 0.966 121.435 120.500 -0.052 0.000 2.073 532 R HA -0.207 4.130 4.340 -0.005 0.000 0.234 532 R C 1.770 178.010 176.300 -0.100 0.000 1.134 532 R CA 2.194 58.260 56.100 -0.057 0.000 0.952 532 R CB -0.233 30.052 30.300 -0.025 0.000 0.850 532 R HN 0.304 nan 8.270 nan 0.000 0.433 533 D N -0.031 120.285 120.400 -0.139 0.000 2.149 533 D HA -0.085 4.552 4.640 -0.005 0.000 0.201 533 D C 2.000 178.151 176.300 -0.248 0.000 0.972 533 D CA 0.869 54.769 54.000 -0.167 0.000 0.835 533 D CB -0.059 40.658 40.800 -0.138 0.000 0.966 533 D HN 0.088 nan 8.370 nan 0.000 0.476 534 V N 1.467 121.139 119.914 -0.402 0.000 2.295 534 V HA -0.237 3.880 4.120 -0.005 0.000 0.246 534 V C 2.523 178.513 176.094 -0.174 0.000 1.049 534 V CA 1.909 63.989 62.300 -0.366 0.000 1.024 534 V CB -0.768 30.767 31.823 -0.480 0.000 0.648 534 V HN 0.187 nan 8.190 nan 0.000 0.447 535 A N -0.382 122.359 122.820 -0.132 0.000 1.930 535 A HA -0.230 4.087 4.320 -0.005 0.000 0.217 535 A C 2.341 179.881 177.584 -0.074 0.000 1.175 535 A CA 2.012 54.004 52.037 -0.075 0.000 0.627 535 A CB -0.450 18.511 19.000 -0.065 0.000 0.815 535 A HN 0.541 nan 8.150 nan 0.000 0.443 536 K N -0.142 120.209 120.400 -0.082 0.000 2.026 536 K HA -0.098 4.219 4.320 -0.005 0.000 0.208 536 K C 1.808 178.375 176.600 -0.056 0.000 1.048 536 K CA 1.673 57.922 56.287 -0.063 0.000 0.929 536 K CB -0.303 32.162 32.500 -0.058 0.000 0.713 536 K HN 0.199 nan 8.250 nan 0.000 0.439 537 V N 1.834 121.708 119.914 -0.067 0.000 2.287 537 V HA -0.257 3.860 4.120 -0.005 0.000 0.248 537 V C 2.428 178.502 176.094 -0.034 0.000 1.053 537 V CA 2.118 64.389 62.300 -0.049 0.000 1.027 537 V CB -0.525 31.261 31.823 -0.062 0.000 0.646 537 V HN 0.387 nan 8.190 nan 0.000 0.447 538 K N 0.553 120.929 120.400 -0.039 0.000 2.032 538 K HA -0.252 4.065 4.320 -0.005 0.000 0.209 538 K C 2.165 178.738 176.600 -0.045 0.000 1.048 538 K CA 2.022 58.295 56.287 -0.024 0.000 0.927 538 K CB -0.551 31.948 32.500 -0.003 0.000 0.712 538 K HN 0.415 nan 8.250 nan 0.000 0.441 539 Q N 0.962 120.727 119.800 -0.059 0.000 2.124 539 Q HA -0.109 4.228 4.340 -0.005 0.000 0.202 539 Q C 1.688 177.667 176.000 -0.035 0.000 0.977 539 Q CA 1.975 57.735 55.803 -0.072 0.000 0.850 539 Q CB -0.121 28.577 28.738 -0.068 0.000 0.901 539 Q HN 0.526 nan 8.270 nan 0.000 0.429 540 E N -0.335 119.854 120.200 -0.017 0.000 2.058 540 E HA -0.192 4.155 4.350 -0.005 0.000 0.194 540 E C 1.740 178.360 176.600 0.034 0.000 0.997 540 E CA 1.193 57.598 56.400 0.008 0.000 0.801 540 E CB -0.118 29.583 29.700 0.002 0.000 0.746 540 E HN 0.435 nan 8.360 nan 0.000 0.450 541 N N 0.836 119.555 118.700 0.031 0.000 2.166 541 N HA -0.128 4.609 4.740 -0.005 0.000 0.186 541 N C 1.474 177.062 175.510 0.130 0.000 1.019 541 N CA 1.023 54.113 53.050 0.067 0.000 0.856 541 N CB -0.093 38.419 38.487 0.042 0.000 0.993 541 N HN 0.133 nan 8.380 nan 0.000 0.426 542 K N 0.521 120.965 120.400 0.073 0.000 2.097 542 K HA 0.073 4.390 4.320 -0.005 0.000 0.205 542 K C 2.044 178.775 176.600 0.217 0.000 1.050 542 K CA 0.532 56.887 56.287 0.112 0.000 0.938 542 K CB -0.068 32.246 32.500 -0.310 0.000 0.718 542 K HN 0.110 nan 8.250 nan 0.000 0.442 543 L N 1.034 122.325 121.223 0.114 0.000 2.056 543 L HA -0.180 4.157 4.340 -0.005 0.000 0.207 543 L C 2.587 179.546 176.870 0.148 0.000 1.078 543 L CA 1.264 56.174 54.840 0.117 0.000 0.749 543 L CB -0.320 41.778 42.059 0.065 0.000 0.901 543 L HN 0.172 nan 8.230 nan 0.000 0.433 544 K N -0.179 120.315 120.400 0.156 0.000 2.057 544 K HA -0.220 4.097 4.320 -0.005 0.000 0.206 544 K C 2.183 178.925 176.600 0.236 0.000 1.050 544 K CA 1.419 57.803 56.287 0.163 0.000 0.935 544 K CB -0.123 32.458 32.500 0.134 0.000 0.715 544 K HN 0.058 nan 8.250 nan 0.000 0.439 545 F N 1.253 121.296 119.950 0.155 0.000 2.146 545 F HA -0.077 4.447 4.527 -0.005 0.000 0.298 545 F C 2.012 177.947 175.800 0.224 0.000 1.096 545 F CA 1.272 59.386 58.000 0.191 0.000 1.275 545 F CB -0.481 38.629 39.000 0.184 0.000 1.008 545 F HN 0.078 nan 8.300 nan 0.000 0.480 546 A N 0.380 123.329 122.820 0.215 0.000 1.908 546 A HA -0.142 4.175 4.320 -0.005 0.000 0.218 546 A C 2.422 180.011 177.584 0.008 0.000 1.181 546 A CA 1.982 54.063 52.037 0.073 0.000 0.627 546 A CB -1.573 17.518 19.000 0.151 0.000 0.818 546 A HN 0.478 nan 8.150 nan 0.000 0.445 547 A N -1.579 121.279 122.820 0.063 0.000 1.933 547 A HA -0.100 4.217 4.320 -0.005 0.000 0.218 547 A C 2.129 179.727 177.584 0.025 0.000 1.175 547 A CA 1.624 53.691 52.037 0.050 0.000 0.628 547 A CB -0.791 18.255 19.000 0.076 0.000 0.814 547 A HN 0.803 nan 8.150 nan 0.000 0.444 548 Y N 0.456 120.692 120.300 -0.106 0.000 2.145 548 Y HA -0.160 4.387 4.550 -0.005 0.000 0.286 548 Y C 1.924 177.733 175.900 -0.151 0.000 1.145 548 Y CA 1.931 59.950 58.100 -0.135 0.000 1.148 548 Y CB -0.248 38.112 38.460 -0.166 0.000 0.981 548 Y HN 0.202 nan 8.280 nan 0.000 0.507 549 L N 0.150 121.191 121.223 -0.303 0.000 2.093 549 L HA -0.171 4.166 4.340 -0.005 0.000 0.208 549 L C 2.476 179.269 176.870 -0.128 0.000 1.085 549 L CA 1.707 56.398 54.840 -0.249 0.000 0.755 549 L CB -0.552 41.349 42.059 -0.264 0.000 0.904 549 L HN 0.260 nan 8.230 nan 0.000 0.435 550 E N 0.749 120.889 120.200 -0.099 0.000 2.072 550 E HA -0.236 4.111 4.350 -0.005 0.000 0.191 550 E C 2.228 178.781 176.600 -0.078 0.000 0.985 550 E CA 1.328 57.703 56.400 -0.041 0.000 0.801 550 E CB -0.065 29.640 29.700 0.009 0.000 0.750 550 E HN 0.198 nan 8.360 nan 0.000 0.452 551 R N -0.155 120.272 120.500 -0.123 0.000 2.066 551 R HA -0.094 4.242 4.340 -0.005 0.000 0.232 551 R C 1.753 177.912 176.300 -0.235 0.000 1.131 551 R CA 1.656 57.672 56.100 -0.141 0.000 0.955 551 R CB -0.007 30.225 30.300 -0.113 0.000 0.851 551 R HN 0.112 nan 8.270 nan 0.000 0.432 552 E N -0.994 118.960 120.200 -0.410 0.000 2.250 552 E HA -0.074 4.273 4.350 -0.005 0.000 0.192 552 E C 0.675 176.821 176.600 -0.756 0.000 0.986 552 E CA 0.944 56.952 56.400 -0.653 0.000 0.849 552 E CB 0.337 29.429 29.700 -1.013 0.000 0.797 552 E HN 0.484 nan 8.360 nan 0.000 0.482 553 Y N -0.173 120.002 120.300 -0.208 0.000 2.610 553 Y HA 0.212 4.759 4.550 -0.005 0.000 0.254 553 Y C 0.172 176.027 175.900 -0.075 0.000 1.110 553 Y CA -0.621 57.407 58.100 -0.120 0.000 1.238 553 Y CB 0.780 39.170 38.460 -0.118 0.000 1.322 553 Y HN -0.251 nan 8.280 nan 0.000 0.547 554 K N 0.056 120.473 120.400 0.028 0.000 3.016 554 K HA -0.151 4.165 4.320 -0.005 0.000 0.262 554 K C -0.589 176.046 176.600 0.058 0.000 1.043 554 K CA 0.435 56.741 56.287 0.030 0.000 0.761 554 K CB -2.214 30.300 32.500 0.023 0.000 1.230 554 K HN 0.138 nan 8.250 nan 0.000 0.485 555 V N 1.772 121.722 119.914 0.060 0.000 2.407 555 V HA 0.151 4.268 4.120 -0.005 0.000 0.278 555 V C 0.708 176.829 176.094 0.046 0.000 1.037 555 V CA -0.708 61.618 62.300 0.044 0.000 0.900 555 V CB 1.506 33.329 31.823 0.001 0.000 0.983 555 V HN 0.279 nan 8.190 nan 0.000 0.459 556 H N 6.540 125.596 119.070 -0.022 0.000 2.517 556 H HA 0.569 5.122 4.556 -0.005 0.000 0.317 556 H C -0.668 174.648 175.328 -0.020 0.000 1.080 556 H CA -0.515 55.524 56.048 -0.015 0.000 1.301 556 H CB 1.481 31.239 29.762 -0.007 0.000 1.425 556 H HN 0.718 nan 8.280 nan 0.000 0.471 557 I N 2.149 122.380 120.570 -0.565 0.000 2.646 557 I HA 0.314 4.481 4.170 -0.005 0.000 0.299 557 I C -0.221 175.605 176.117 -0.484 0.000 1.036 557 I CA -1.260 59.791 61.300 -0.416 0.000 1.074 557 I CB 1.819 39.673 38.000 -0.243 0.000 1.258 557 I HN 0.379 nan 8.210 nan 0.000 0.430 558 N N 7.136 125.723 118.700 -0.189 0.000 2.427 558 N HA 0.197 4.934 4.740 -0.005 0.000 0.269 558 N C -1.560 174.034 175.510 0.140 0.000 1.235 558 N CA -2.176 50.868 53.050 -0.010 0.000 0.934 558 N CB 0.741 39.260 38.487 0.054 0.000 1.121 558 N HN 0.480 nan 8.380 nan 0.000 0.480 559 P HA -0.068 nan 4.420 nan 0.000 0.223 559 P C -0.497 176.800 177.300 -0.005 0.000 1.151 559 P CA 1.039 64.194 63.100 0.093 0.000 0.787 559 P CB 0.175 31.912 31.700 0.062 0.000 0.788 560 N N 0.285 119.006 118.700 0.034 0.000 2.758 560 N HA 0.121 4.858 4.740 -0.005 0.000 0.293 560 N C -0.271 175.263 175.510 0.040 0.000 1.273 560 N CA -0.275 52.789 53.050 0.023 0.000 1.022 560 N CB 0.035 38.545 38.487 0.038 0.000 1.334 560 N HN 0.162 nan 8.380 nan 0.000 0.519 561 S N -0.866 114.854 115.700 0.033 0.000 2.599 561 S HA 0.392 4.859 4.470 -0.005 0.000 0.287 561 S C -0.553 173.999 174.600 -0.080 0.000 1.105 561 S CA -1.059 57.149 58.200 0.013 0.000 0.899 561 S CB 1.514 64.764 63.200 0.084 0.000 1.100 561 S HN 0.205 nan 8.310 nan 0.000 0.482 562 L N 2.503 123.524 121.223 -0.337 0.000 2.410 562 L HA 0.405 4.742 4.340 -0.005 0.000 0.273 562 L C -0.997 175.856 176.870 -0.029 0.000 1.144 562 L CA -0.538 53.940 54.840 -0.603 0.000 0.863 562 L CB -0.145 41.257 42.059 -1.095 0.000 1.140 562 L HN 0.735 nan 8.230 nan 0.000 0.463 563 F N 4.315 124.135 119.950 -0.218 0.000 2.405 563 F HA 0.115 4.639 4.527 -0.004 0.000 0.358 563 F C 0.372 176.104 175.800 -0.113 0.000 1.151 563 F CA -0.869 57.061 58.000 -0.116 0.000 1.161 563 F CB 0.579 39.551 39.000 -0.045 0.000 1.245 563 F HN 0.523 nan 8.300 nan 0.000 0.545 564 D N 4.796 125.202 120.400 0.009 0.000 2.412 564 D HA 0.316 4.952 4.640 -0.005 0.000 0.224 564 D C -1.021 175.228 176.300 -0.086 0.000 1.093 564 D CA -0.208 53.755 54.000 -0.062 0.000 0.850 564 D CB 1.393 42.136 40.800 -0.094 0.000 1.046 564 D HN 0.115 nan 8.370 nan 0.000 0.507 565 V N 4.583 124.435 119.914 -0.103 0.000 2.444 565 V HA 0.356 4.473 4.120 -0.005 0.000 0.294 565 V C -0.146 175.822 176.094 -0.210 0.000 1.022 565 V CA -0.843 61.386 62.300 -0.117 0.000 0.850 565 V CB 1.621 33.462 31.823 0.030 0.000 0.992 565 V HN 0.515 nan 8.190 nan 0.000 0.426 566 Q N 3.905 123.588 119.800 -0.194 0.000 2.401 566 Q HA 0.643 4.980 4.340 -0.005 0.000 0.260 566 Q C -1.242 174.597 176.000 -0.268 0.000 1.034 566 Q CA -0.477 55.194 55.803 -0.220 0.000 0.737 566 Q CB 1.848 30.481 28.738 -0.175 0.000 1.227 566 Q HN 0.806 nan 8.270 nan 0.000 0.488 567 V N 1.738 121.482 119.914 -0.284 0.000 2.444 567 V HA 0.847 4.964 4.120 -0.005 0.000 0.294 567 V C -0.952 174.855 176.094 -0.478 0.000 1.022 567 V CA -0.590 61.344 62.300 -0.611 0.000 0.850 567 V CB 1.115 32.329 31.823 -1.015 0.000 0.992 567 V HN 0.820 nan 8.190 nan 0.000 0.426 568 K N 2.585 122.747 120.400 -0.396 0.000 2.931 568 K HA 0.460 4.776 4.320 -0.005 0.000 0.292 568 K C -1.222 175.371 176.600 -0.010 0.000 1.077 568 K CA -1.214 55.028 56.287 -0.076 0.000 0.829 568 K CB 0.890 33.339 32.500 -0.085 0.000 1.488 568 K HN 0.422 nan 8.250 nan 0.000 0.358 569 R N 0.973 121.519 120.500 0.076 0.000 2.698 569 R HA 0.146 4.483 4.340 -0.005 0.000 0.266 569 R C 0.300 176.613 176.300 0.022 0.000 1.026 569 R CA -0.289 55.865 56.100 0.091 0.000 1.102 569 R CB -0.141 30.235 30.300 0.127 0.000 0.978 569 R HN 0.494 nan 8.270 nan 0.000 0.436 570 I N 4.435 125.029 120.570 0.040 0.000 2.347 570 I HA 0.095 4.262 4.170 -0.005 0.000 0.294 570 I C 0.722 176.792 176.117 -0.078 0.000 1.090 570 I CA 0.448 61.724 61.300 -0.041 0.000 1.314 570 I CB -0.554 37.420 38.000 -0.045 0.000 1.423 570 I HN 0.315 nan 8.210 nan 0.000 0.503 571 H N 5.242 124.181 119.070 -0.219 0.000 2.930 571 H HA 0.251 4.804 4.556 -0.005 0.000 0.371 571 H C 0.491 175.655 175.328 -0.274 0.000 1.169 571 H CA -0.389 55.557 56.048 -0.171 0.000 1.157 571 H CB 2.025 31.703 29.762 -0.140 0.000 1.789 571 H HN 0.559 nan 8.280 nan 0.000 0.547 572 E N 2.039 122.240 120.200 0.002 0.000 2.118 572 E HA -0.252 4.095 4.350 -0.005 0.000 0.195 572 E C 1.346 177.720 176.600 -0.377 0.000 0.992 572 E CA 1.852 58.229 56.400 -0.038 0.000 0.804 572 E CB -0.068 29.761 29.700 0.216 0.000 0.741 572 E HN 0.589 nan 8.360 nan 0.000 0.458 573 Y N 0.768 120.636 120.300 -0.719 0.000 2.352 573 Y HA -0.045 4.502 4.550 -0.005 0.000 0.292 573 Y C 1.485 177.131 175.900 -0.422 0.000 1.136 573 Y CA 0.928 58.370 58.100 -1.096 0.000 1.227 573 Y CB -0.136 37.684 38.460 -1.068 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.667 120.602 120.400 -0.774 0.000 2.432 574 K HA 0.082 4.399 4.320 -0.005 0.000 0.196 574 K C 0.133 176.566 176.600 -0.279 0.000 1.038 574 K CA 0.480 56.441 56.287 -0.545 0.000 0.986 574 K CB -0.023 32.127 32.500 -0.584 0.000 0.782 574 K HN 0.231 nan 8.250 nan 0.000 0.485 575 R N 0.425 120.789 120.500 -0.227 0.000 3.336 575 R HA -0.235 4.102 4.340 -0.005 0.000 0.260 575 R C 0.263 176.487 176.300 -0.127 0.000 1.032 575 R CA 0.206 56.224 56.100 -0.135 0.000 0.693 575 R CB -1.923 28.316 30.300 -0.102 0.000 1.134 575 R HN 0.303 nan 8.270 nan 0.000 0.433 576 Q N 0.342 120.064 119.800 -0.129 0.000 2.248 576 Q HA -0.090 4.247 4.340 -0.005 0.000 0.208 576 Q C 2.041 177.998 176.000 -0.072 0.000 0.984 576 Q CA 1.577 57.320 55.803 -0.099 0.000 0.875 576 Q CB -0.010 28.672 28.738 -0.093 0.000 0.910 576 Q HN 0.587 nan 8.270 nan 0.000 0.433 577 L N -0.630 120.553 121.223 -0.066 0.000 2.083 577 L HA -0.183 4.154 4.340 -0.005 0.000 0.209 577 L C 2.046 178.929 176.870 0.021 0.000 1.083 577 L CA 0.560 55.378 54.840 -0.037 0.000 0.752 577 L CB -0.360 41.688 42.059 -0.019 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N 0.067 121.298 121.223 0.014 0.000 2.046 578 L HA -0.247 4.090 4.340 -0.005 0.000 0.208 578 L C 2.045 178.992 176.870 0.129 0.000 1.077 578 L CA 1.925 56.791 54.840 0.044 0.000 0.747 578 L CB -0.832 41.148 42.059 -0.131 0.000 0.896 578 L HN 0.278 nan 8.230 nan 0.000 0.432 579 N N -1.605 117.131 118.700 0.059 0.000 2.069 579 N HA -0.255 4.482 4.740 -0.005 0.000 0.191 579 N C 1.939 177.537 175.510 0.148 0.000 1.031 579 N CA 1.731 54.891 53.050 0.183 0.000 0.852 579 N CB -0.147 38.373 38.487 0.055 0.000 1.018 579 N HN 0.507 nan 8.380 nan 0.000 0.423 580 C N 0.524 119.847 119.300 0.039 0.000 2.413 580 C HA -0.088 4.369 4.460 -0.005 0.000 0.276 580 C C 2.594 177.587 174.990 0.006 0.000 1.248 580 C CA 0.406 59.398 59.018 -0.043 0.000 1.742 580 C CB -1.254 26.406 27.740 -0.133 0.000 2.017 580 C HN 0.502 nan 8.230 nan 0.000 0.481 581 L N -0.391 120.903 121.223 0.118 0.000 2.083 581 L HA -0.197 4.140 4.340 -0.005 0.000 0.209 581 L C 2.759 179.806 176.870 0.295 0.000 1.083 581 L CA 1.779 56.746 54.840 0.213 0.000 0.752 581 L CB -1.029 41.230 42.059 0.333 0.000 0.899 581 L HN 0.591 nan 8.230 nan 0.000 0.433 582 H N -0.081 119.106 119.070 0.195 0.000 2.357 582 H HA -0.123 4.430 4.556 -0.005 0.000 0.301 582 H C 2.248 177.569 175.328 -0.013 0.000 1.082 582 H CA 1.787 57.855 56.048 0.033 0.000 1.342 582 H CB 0.342 30.034 29.762 -0.117 0.000 1.389 582 H HN 0.089 nan 8.280 nan 0.000 0.511 583 V N 1.610 121.442 119.914 -0.136 0.000 2.332 583 V HA -0.283 3.834 4.120 -0.005 0.000 0.248 583 V C 2.803 178.839 176.094 -0.097 0.000 1.055 583 V CA 1.948 64.138 62.300 -0.183 0.000 1.038 583 V CB -0.512 31.248 31.823 -0.104 0.000 0.651 583 V HN 0.392 nan 8.190 nan 0.000 0.450 584 I N -0.270 120.285 120.570 -0.025 0.000 2.315 584 I HA -0.200 3.966 4.170 -0.005 0.000 0.248 584 I C 2.493 178.696 176.117 0.143 0.000 1.117 584 I CA 1.603 62.971 61.300 0.113 0.000 1.404 584 I CB -0.715 37.341 38.000 0.093 0.000 1.071 584 I HN 0.320 nan 8.210 nan 0.000 0.419 585 T N 1.635 116.221 114.554 0.054 0.000 2.684 585 T HA -0.155 4.192 4.350 -0.005 0.000 0.267 585 T C 1.974 176.635 174.700 -0.066 0.000 1.036 585 T CA 1.359 63.475 62.100 0.026 0.000 1.148 585 T CB -0.392 68.502 68.868 0.042 0.000 0.863 585 T HN 0.249 nan 8.240 nan 0.000 0.436 586 L N -0.407 120.697 121.223 -0.197 0.000 2.042 586 L HA -0.135 4.202 4.340 -0.005 0.000 0.210 586 L C 2.397 179.233 176.870 -0.057 0.000 1.076 586 L CA 1.797 56.523 54.840 -0.191 0.000 0.749 586 L CB -0.674 41.204 42.059 -0.302 0.000 0.893 586 L HN 0.310 nan 8.230 nan 0.000 0.432 587 Y N 1.287 121.537 120.300 -0.083 0.000 2.145 587 Y HA -0.280 4.267 4.550 -0.005 0.000 0.286 587 Y C 2.535 178.438 175.900 0.004 0.000 1.145 587 Y CA 1.841 59.937 58.100 -0.008 0.000 1.148 587 Y CB -0.108 38.401 38.460 0.080 0.000 0.981 587 Y HN 0.208 nan 8.280 nan 0.000 0.507 588 N N 0.417 119.087 118.700 -0.050 0.000 2.166 588 N HA -0.135 4.602 4.740 -0.005 0.000 0.186 588 N C 1.819 177.228 175.510 -0.168 0.000 1.019 588 N CA 1.491 54.453 53.050 -0.148 0.000 0.856 588 N CB -0.352 38.127 38.487 -0.014 0.000 0.993 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.339 120.767 120.500 -0.121 0.000 2.092 589 R HA 0.092 4.429 4.340 -0.005 0.000 0.231 589 R C 2.211 178.433 176.300 -0.131 0.000 1.119 589 R CA 0.680 56.714 56.100 -0.110 0.000 0.970 589 R CB -0.243 30.003 30.300 -0.090 0.000 0.864 589 R HN 0.228 nan 8.270 nan 0.000 0.440 590 I N 1.015 121.488 120.570 -0.161 0.000 2.179 590 I HA -0.293 3.874 4.170 -0.005 0.000 0.242 590 I C 2.061 178.069 176.117 -0.182 0.000 1.088 590 I CA 1.244 62.448 61.300 -0.160 0.000 1.357 590 I CB -0.162 37.747 38.000 -0.152 0.000 1.051 590 I HN 0.019 nan 8.210 nan 0.000 0.409 591 K N 1.058 121.289 120.400 -0.281 0.000 2.147 591 K HA -0.155 4.162 4.320 -0.005 0.000 0.205 591 K C 1.995 178.499 176.600 -0.161 0.000 1.049 591 K CA 1.364 57.496 56.287 -0.258 0.000 0.936 591 K CB -0.348 31.920 32.500 -0.386 0.000 0.722 591 K HN 0.364 nan 8.250 nan 0.000 0.446 592 K N 0.656 120.969 120.400 -0.145 0.000 2.103 592 K HA -0.061 4.256 4.320 -0.005 0.000 0.204 592 K C 0.299 176.854 176.600 -0.075 0.000 1.052 592 K CA 0.955 57.182 56.287 -0.100 0.000 0.945 592 K CB 0.184 32.631 32.500 -0.089 0.000 0.722 592 K HN 0.168 nan 8.250 nan 0.000 0.443 593 E N 0.240 120.395 120.200 -0.076 0.000 3.374 593 E HA 0.088 4.435 4.350 -0.005 0.000 0.223 593 E C -2.206 174.363 176.600 -0.052 0.000 1.210 593 E CA -1.321 55.047 56.400 -0.053 0.000 0.987 593 E CB 1.331 31.006 29.700 -0.042 0.000 1.322 593 E HN 0.050 nan 8.360 nan 0.000 0.404 594 P HA -0.153 nan 4.420 nan 0.000 0.220 594 P C 0.612 177.899 177.300 -0.021 0.000 1.148 594 P CA 0.978 64.051 63.100 -0.046 0.000 0.803 594 P CB 0.387 32.062 31.700 -0.041 0.000 0.782 595 N N -0.116 118.578 118.700 -0.010 0.000 2.457 595 N HA -0.060 4.677 4.740 -0.005 0.000 0.180 595 N C 0.920 176.449 175.510 0.032 0.000 1.050 595 N CA 0.556 53.613 53.050 0.011 0.000 0.906 595 N CB -0.277 38.216 38.487 0.009 0.000 0.968 595 N HN 0.314 nan 8.380 nan 0.000 0.445 596 K N 0.923 121.335 120.400 0.019 0.000 2.339 596 K HA 0.031 4.348 4.320 -0.005 0.000 0.286 596 K C -0.594 176.043 176.600 0.061 0.000 1.050 596 K CA -0.426 55.886 56.287 0.042 0.000 0.956 596 K CB 0.289 32.794 32.500 0.008 0.000 0.990 596 K HN -0.153 nan 8.250 nan 0.000 0.475 597 F N 5.740 125.678 119.950 -0.020 0.000 2.529 597 F HA 0.161 4.685 4.527 -0.005 0.000 0.365 597 F C -0.436 175.351 175.800 -0.023 0.000 1.102 597 F CA -0.084 57.905 58.000 -0.018 0.000 1.271 597 F CB 0.575 39.567 39.000 -0.012 0.000 1.120 597 F HN 0.231 nan 8.300 nan 0.000 0.579 598 V N 4.223 123.580 119.914 -0.928 0.000 2.876 598 V HA 0.549 4.666 4.120 -0.005 0.000 0.312 598 V C -0.669 174.745 176.094 -1.133 0.000 1.085 598 V CA -1.255 60.585 62.300 -0.767 0.000 0.945 598 V CB 1.076 32.673 31.823 -0.377 0.000 1.017 598 V HN 0.592 nan 8.190 nan 0.000 0.428 599 V N 4.318 123.866 119.914 -0.609 0.000 2.458 599 V HA 0.180 4.297 4.120 -0.005 0.000 0.287 599 V C -1.867 174.036 176.094 -0.318 0.000 1.009 599 V CA -0.506 61.585 62.300 -0.347 0.000 1.091 599 V CB 0.237 31.980 31.823 -0.134 0.000 0.960 599 V HN 0.887 nan 8.190 nan 0.000 0.476 600 P HA 0.226 nan 4.420 nan 0.000 0.265 600 P C -0.318 176.875 177.300 -0.179 0.000 1.193 600 P CA 0.176 63.173 63.100 -0.172 0.000 0.765 600 P CB 0.459 32.114 31.700 -0.077 0.000 0.823 601 R N 1.300 121.711 120.500 -0.148 0.000 2.686 601 R HA 0.520 4.857 4.340 -0.005 0.000 0.286 601 R C -0.692 175.561 176.300 -0.080 0.000 0.969 601 R CA -0.624 55.393 56.100 -0.139 0.000 0.898 601 R CB 1.862 32.065 30.300 -0.162 0.000 1.183 601 R HN 0.298 nan 8.270 nan 0.000 0.456 602 T N 2.272 116.798 114.554 -0.046 0.000 2.801 602 T HA 0.220 4.567 4.350 -0.005 0.000 0.306 602 T C -0.159 174.456 174.700 -0.142 0.000 1.020 602 T CA -0.486 61.546 62.100 -0.113 0.000 0.948 602 T CB 0.996 69.731 68.868 -0.222 0.000 0.962 602 T HN 0.147 nan 8.240 nan 0.000 0.465 603 V N 6.022 125.861 119.914 -0.125 0.000 2.385 603 V HA 0.384 4.501 4.120 -0.005 0.000 0.269 603 V C 0.163 176.180 176.094 -0.128 0.000 1.043 603 V CA -0.364 61.868 62.300 -0.113 0.000 0.906 603 V CB 0.421 32.192 31.823 -0.087 0.000 0.995 603 V HN 0.849 nan 8.190 nan 0.000 0.467 604 M N 6.812 126.324 119.600 -0.146 0.000 2.227 604 M HA 0.627 5.104 4.480 -0.005 0.000 0.335 604 M C -0.993 175.197 176.300 -0.184 0.000 1.053 604 M CA -0.213 54.988 55.300 -0.165 0.000 0.973 604 M CB 1.952 34.443 32.600 -0.182 0.000 1.623 604 M HN 0.408 nan 8.290 nan 0.000 0.434 605 I N 1.660 122.098 120.570 -0.220 0.000 2.545 605 I HA 0.871 5.038 4.170 -0.005 0.000 0.292 605 I C 0.095 175.832 176.117 -0.633 0.000 1.040 605 I CA -0.648 60.482 61.300 -0.284 0.000 1.068 605 I CB 2.398 40.329 38.000 -0.114 0.000 1.251 605 I HN 0.818 nan 8.210 nan 0.000 0.424 606 G N 2.720 111.121 108.800 -0.665 0.000 2.704 606 G HA2 0.826 4.783 3.960 -0.005 0.000 0.293 606 G HA3 0.826 4.783 3.960 -0.005 0.000 0.293 606 G C -1.050 173.552 174.900 -0.497 0.000 1.421 606 G CA -0.684 43.875 45.100 -0.902 0.000 0.870 606 G HN 1.015 nan 8.290 nan 0.000 0.492 607 G N -0.448 108.236 108.800 -0.194 0.000 2.329 607 G HA2 0.400 4.357 3.960 -0.005 0.000 0.308 607 G HA3 0.400 4.357 3.960 -0.005 0.000 0.308 607 G C -1.298 173.753 174.900 0.252 0.000 1.587 607 G CA -1.057 44.099 45.100 0.094 0.000 0.978 607 G HN 0.601 nan 8.290 nan 0.000 0.685 608 K N 0.120 120.654 120.400 0.223 0.000 2.143 608 K HA 0.717 5.034 4.320 -0.005 0.000 0.272 608 K C 0.372 177.123 176.600 0.252 0.000 1.001 608 K CA -0.144 56.293 56.287 0.249 0.000 0.915 608 K CB 2.017 34.539 32.500 0.037 0.000 1.047 608 K HN 0.863 nan 8.250 nan 0.000 0.458 609 A N 1.731 124.728 122.820 0.296 0.000 2.306 609 A HA 0.586 4.903 4.320 -0.005 0.000 0.314 609 A C -0.244 177.522 177.584 0.303 0.000 1.164 609 A CA -0.685 51.465 52.037 0.188 0.000 0.822 609 A CB 0.771 19.797 19.000 0.044 0.000 1.130 609 A HN 0.796 nan 8.150 nan 0.000 0.496 610 A N 3.761 126.745 122.820 0.273 0.000 2.546 610 A HA 0.445 4.762 4.320 -0.005 0.000 0.243 610 A C -1.361 176.316 177.584 0.155 0.000 1.063 610 A CA -0.766 51.436 52.037 0.275 0.000 0.757 610 A CB -0.377 18.785 19.000 0.272 0.000 0.991 610 A HN 0.608 nan 8.150 nan 0.000 0.503 611 P HA -0.143 nan 4.420 nan 0.000 0.217 611 P C 1.259 178.561 177.300 0.003 0.000 1.148 611 P CA 1.959 65.013 63.100 -0.077 0.000 0.828 611 P CB 0.224 31.823 31.700 -0.168 0.000 0.783 612 G N -3.017 105.813 108.800 0.051 0.000 3.284 612 G HA2 -0.045 3.911 3.960 -0.005 0.000 0.236 612 G HA3 -0.045 3.911 3.960 -0.005 0.000 0.236 612 G C -0.396 174.550 174.900 0.077 0.000 1.158 612 G CA -0.070 45.059 45.100 0.048 0.000 0.774 612 G HN 0.309 nan 8.290 nan 0.000 0.545 613 Y N 1.239 121.505 120.300 -0.057 0.000 2.717 613 Y HA 0.248 4.795 4.550 -0.005 0.000 0.329 613 Y C 1.513 177.402 175.900 -0.018 0.000 1.017 613 Y CA -1.137 56.908 58.100 -0.092 0.000 1.275 613 Y CB 0.257 38.633 38.460 -0.140 0.000 1.109 613 Y HN 0.312 nan 8.280 nan 0.000 0.511 614 H N 4.120 123.315 119.070 0.208 0.000 2.319 614 H HA -0.220 4.333 4.556 -0.005 0.000 0.299 614 H C 1.737 177.105 175.328 0.067 0.000 1.092 614 H CA 2.384 58.495 56.048 0.106 0.000 1.302 614 H CB 0.411 30.221 29.762 0.080 0.000 1.373 614 H HN 0.736 nan 8.280 nan 0.000 0.497 615 M N 0.979 120.580 119.600 0.002 0.000 2.117 615 M HA -0.065 4.412 4.480 -0.005 0.000 0.262 615 M C 2.566 178.645 176.300 -0.368 0.000 1.065 615 M CA 1.831 57.040 55.300 -0.152 0.000 1.114 615 M CB -0.676 31.964 32.600 0.068 0.000 1.361 615 M HN 0.332 nan 8.290 nan 0.000 0.408 616 A N -0.330 122.045 122.820 -0.742 0.000 1.933 616 A HA -0.199 4.118 4.320 -0.005 0.000 0.218 616 A C 2.190 179.578 177.584 -0.328 0.000 1.175 616 A CA 1.902 53.521 52.037 -0.697 0.000 0.628 616 A CB -0.660 17.711 19.000 -1.049 0.000 0.814 616 A HN 0.592 nan 8.150 nan 0.000 0.444 617 K N -1.177 119.086 120.400 -0.228 0.000 2.097 617 K HA -0.041 4.276 4.320 -0.005 0.000 0.205 617 K C 1.950 178.511 176.600 -0.065 0.000 1.050 617 K CA 1.248 57.488 56.287 -0.078 0.000 0.938 617 K CB -0.217 32.298 32.500 0.025 0.000 0.718 617 K HN 0.339 nan 8.250 nan 0.000 0.442 618 M N 0.566 120.078 119.600 -0.146 0.000 2.175 618 M HA -0.086 4.391 4.480 -0.005 0.000 0.264 618 M C 2.128 178.353 176.300 -0.125 0.000 1.063 618 M CA 1.420 56.666 55.300 -0.089 0.000 1.119 618 M CB -0.657 31.870 32.600 -0.121 0.000 1.377 618 M HN 0.119 nan 8.290 nan 0.000 0.415 619 I N -0.126 120.335 120.570 -0.182 0.000 2.226 619 I HA -0.297 3.870 4.170 -0.005 0.000 0.245 619 I C 2.277 178.253 176.117 -0.236 0.000 1.100 619 I CA 1.033 62.213 61.300 -0.200 0.000 1.374 619 I CB -0.315 37.571 38.000 -0.191 0.000 1.057 619 I HN 0.168 nan 8.210 nan 0.000 0.413 620 I N 0.649 121.058 120.570 -0.268 0.000 2.163 620 I HA -0.315 3.852 4.170 -0.005 0.000 0.243 620 I C 2.586 178.398 176.117 -0.508 0.000 1.085 620 I CA 1.289 62.315 61.300 -0.456 0.000 1.347 620 I CB -0.349 37.343 38.000 -0.514 0.000 1.044 620 I HN 0.158 nan 8.210 nan 0.000 0.408 621 K N 1.324 121.446 120.400 -0.464 0.000 2.097 621 K HA -0.196 4.121 4.320 -0.005 0.000 0.206 621 K C 1.950 178.358 176.600 -0.321 0.000 1.049 621 K CA 1.463 57.393 56.287 -0.595 0.000 0.933 621 K CB -0.528 31.327 32.500 -1.075 0.000 0.717 621 K HN 0.139 nan 8.250 nan 0.000 0.442 622 L N 0.637 121.683 121.223 -0.295 0.000 2.046 622 L HA -0.005 4.332 4.340 -0.005 0.000 0.208 622 L C 1.922 178.537 176.870 -0.425 0.000 1.077 622 L CA 1.550 56.054 54.840 -0.559 0.000 0.747 622 L CB -0.399 41.222 42.059 -0.730 0.000 0.896 622 L HN 0.263 nan 8.230 nan 0.000 0.432 623 I N -0.549 119.833 120.570 -0.313 0.000 2.163 623 I HA -0.348 3.819 4.170 -0.005 0.000 0.243 623 I C 2.488 178.498 176.117 -0.177 0.000 1.085 623 I CA 1.949 63.128 61.300 -0.202 0.000 1.347 623 I CB -0.920 37.056 38.000 -0.040 0.000 1.044 623 I HN 0.480 nan 8.210 nan 0.000 0.408 624 T N -0.805 113.619 114.554 -0.216 0.000 2.788 624 T HA -0.096 4.251 4.350 -0.005 0.000 0.268 624 T C 1.973 176.599 174.700 -0.123 0.000 1.044 624 T CA 0.997 63.000 62.100 -0.161 0.000 1.139 624 T CB -0.529 68.205 68.868 -0.222 0.000 0.867 624 T HN 0.346 nan 8.240 nan 0.000 0.454 625 A N 1.455 124.193 122.820 -0.137 0.000 1.930 625 A HA 0.168 4.485 4.320 -0.005 0.000 0.217 625 A C 2.389 179.963 177.584 -0.016 0.000 1.175 625 A CA 1.173 53.194 52.037 -0.027 0.000 0.627 625 A CB -0.806 18.279 19.000 0.143 0.000 0.815 625 A HN 0.585 nan 8.150 nan 0.000 0.443 626 I N -0.195 120.249 120.570 -0.210 0.000 2.163 626 I HA -0.237 3.929 4.170 -0.005 0.000 0.243 626 I C 2.728 178.787 176.117 -0.096 0.000 1.085 626 I CA 1.257 62.391 61.300 -0.276 0.000 1.347 626 I CB -0.688 37.040 38.000 -0.453 0.000 1.044 626 I HN 0.397 nan 8.210 nan 0.000 0.408 627 G N 0.349 109.095 108.800 -0.089 0.000 2.442 627 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.219 627 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.219 627 G C 1.252 176.172 174.900 0.033 0.000 1.141 627 G CA 1.017 46.092 45.100 -0.042 0.000 0.763 627 G HN 0.304 nan 8.290 nan 0.000 0.554 628 D N -0.024 120.405 120.400 0.048 0.000 2.178 628 D HA -0.070 4.567 4.640 -0.005 0.000 0.201 628 D C 2.684 179.044 176.300 0.099 0.000 0.980 628 D CA 0.645 54.701 54.000 0.093 0.000 0.842 628 D CB -0.074 40.724 40.800 -0.005 0.000 0.948 628 D HN 0.272 nan 8.370 nan 0.000 0.472 629 V N 0.169 120.085 119.914 0.002 0.000 2.300 629 V HA -0.130 3.987 4.120 -0.005 0.000 0.241 629 V C 2.627 178.656 176.094 -0.107 0.000 1.034 629 V CA 0.689 62.915 62.300 -0.122 0.000 1.021 629 V CB -0.397 31.234 31.823 -0.321 0.000 0.662 629 V HN 0.006 nan 8.190 nan 0.000 0.458 630 V N 1.185 120.988 119.914 -0.184 0.000 2.287 630 V HA -0.240 3.877 4.120 -0.005 0.000 0.248 630 V C 2.135 178.209 176.094 -0.033 0.000 1.053 630 V CA 2.224 64.422 62.300 -0.171 0.000 1.027 630 V CB -0.920 30.808 31.823 -0.158 0.000 0.646 630 V HN 0.584 nan 8.190 nan 0.000 0.447 631 N N -0.449 118.206 118.700 -0.075 0.000 2.550 631 N HA -0.088 4.649 4.740 -0.005 0.000 0.186 631 N C 1.148 176.414 175.510 -0.406 0.000 1.110 631 N CA 0.866 53.784 53.050 -0.220 0.000 0.912 631 N CB -0.272 38.039 38.487 -0.294 0.000 0.968 631 N HN 0.693 nan 8.380 nan 0.000 0.448 632 H N -1.596 117.473 119.070 -0.002 0.000 2.923 632 H HA 0.200 4.753 4.556 -0.005 0.000 0.268 632 H C -0.505 174.838 175.328 0.026 0.000 1.148 632 H CA -0.514 55.537 56.048 0.005 0.000 1.146 632 H CB 0.630 30.383 29.762 -0.015 0.000 1.607 632 H HN -0.016 nan 8.280 nan 0.000 0.566 633 D N 2.513 122.993 120.400 0.132 0.000 2.336 633 D HA 0.024 4.661 4.640 -0.005 0.000 0.249 633 D C -1.419 174.944 176.300 0.105 0.000 1.213 633 D CA -2.075 52.018 54.000 0.154 0.000 0.870 633 D CB 1.665 42.642 40.800 0.294 0.000 1.076 633 D HN 0.148 nan 8.370 nan 0.000 0.483 634 P HA -0.115 nan 4.420 nan 0.000 0.220 634 P C 1.519 178.844 177.300 0.041 0.000 1.148 634 P CA 0.352 63.482 63.100 0.051 0.000 0.803 634 P CB 0.493 32.219 31.700 0.043 0.000 0.782 635 V N -0.081 119.860 119.914 0.045 0.000 2.515 635 V HA -0.152 3.965 4.120 -0.005 0.000 0.250 635 V C 2.720 178.824 176.094 0.017 0.000 1.058 635 V CA 1.448 63.761 62.300 0.021 0.000 1.064 635 V CB -0.881 30.944 31.823 0.002 0.000 0.675 635 V HN -0.027 nan 8.190 nan 0.000 0.461 636 V N -0.342 119.602 119.914 0.049 0.000 2.379 636 V HA 0.216 4.333 4.120 -0.005 0.000 0.243 636 V C 1.886 177.995 176.094 0.026 0.000 1.035 636 V CA 1.299 63.628 62.300 0.048 0.000 1.035 636 V CB -1.142 30.760 31.823 0.131 0.000 0.673 636 V HN 0.669 nan 8.190 nan 0.000 0.457 637 G N 1.960 110.778 108.800 0.029 0.000 2.614 637 G HA2 -0.416 3.541 3.960 -0.005 0.000 0.303 637 G HA3 -0.416 3.541 3.960 -0.005 0.000 0.303 637 G C 0.362 175.269 174.900 0.012 0.000 1.270 637 G CA 0.692 45.802 45.100 0.017 0.000 0.988 637 G HN 0.691 nan 8.290 nan 0.000 0.551 638 D N 0.359 120.770 120.400 0.019 0.000 2.319 638 D HA 0.151 4.788 4.640 -0.005 0.000 0.230 638 D C 1.983 178.283 176.300 -0.000 0.000 1.094 638 D CA 0.451 54.466 54.000 0.025 0.000 0.856 638 D CB -0.123 40.713 40.800 0.061 0.000 0.915 638 D HN 0.613 nan 8.370 nan 0.000 0.517 639 R N -0.805 119.683 120.500 -0.020 0.000 2.153 639 R HA 0.204 4.541 4.340 -0.005 0.000 0.218 639 R C 0.042 176.297 176.300 -0.075 0.000 1.072 639 R CA 0.398 56.460 56.100 -0.063 0.000 0.990 639 R CB 0.104 30.354 30.300 -0.083 0.000 0.889 639 R HN 0.162 nan 8.270 nan 0.000 0.452 640 L N -0.032 121.166 121.223 -0.042 0.000 2.493 640 L HA 0.433 4.770 4.340 -0.005 0.000 0.265 640 L C -1.558 175.290 176.870 -0.035 0.000 0.954 640 L CA -0.627 54.186 54.840 -0.045 0.000 0.844 640 L CB 2.029 44.072 42.059 -0.026 0.000 1.302 640 L HN -0.183 nan 8.230 nan 0.000 0.405 641 R N 2.839 123.304 120.500 -0.059 0.000 2.651 641 R HA 0.878 5.215 4.340 -0.005 0.000 0.278 641 R C -1.885 174.364 176.300 -0.084 0.000 1.010 641 R CA -0.643 55.415 56.100 -0.070 0.000 0.896 641 R CB 2.377 32.633 30.300 -0.073 0.000 1.211 641 R HN 0.446 nan 8.270 nan 0.000 0.456 642 V N 5.677 125.542 119.914 -0.081 0.000 2.443 642 V HA 0.504 4.621 4.120 -0.005 0.000 0.293 642 V C -0.238 175.818 176.094 -0.063 0.000 1.021 642 V CA -0.722 61.530 62.300 -0.080 0.000 0.848 642 V CB 1.277 33.050 31.823 -0.084 0.000 0.998 642 V HN 0.667 nan 8.190 nan 0.000 0.424 643 I N 1.056 121.587 120.570 -0.065 0.000 2.608 643 I HA 0.693 4.860 4.170 -0.005 0.000 0.295 643 I C -1.246 174.866 176.117 -0.008 0.000 1.049 643 I CA -0.786 60.490 61.300 -0.040 0.000 1.063 643 I CB 2.194 40.148 38.000 -0.076 0.000 1.248 643 I HN 0.475 nan 8.210 nan 0.000 0.424 644 F N 6.545 126.432 119.950 -0.104 0.000 2.391 644 F HA 0.544 5.068 4.527 -0.005 0.000 0.359 644 F C -0.484 175.260 175.800 -0.093 0.000 1.122 644 F CA -0.621 57.321 58.000 -0.096 0.000 1.120 644 F CB 1.021 39.965 39.000 -0.093 0.000 1.142 644 F HN 0.397 nan 8.300 nan 0.000 0.483 645 L N 6.120 127.030 121.223 -0.521 0.000 2.385 645 L HA 0.168 4.505 4.340 -0.005 0.000 0.281 645 L C 0.431 177.135 176.870 -0.277 0.000 1.106 645 L CA -0.054 54.601 54.840 -0.308 0.000 0.856 645 L CB 0.374 42.326 42.059 -0.179 0.000 1.186 645 L HN 0.630 nan 8.230 nan 0.000 0.453 646 E N 4.371 124.520 120.200 -0.085 0.000 2.373 646 E HA -0.067 4.280 4.350 -0.005 0.000 0.267 646 E C 0.391 177.085 176.600 0.157 0.000 1.032 646 E CA -0.370 56.093 56.400 0.105 0.000 0.889 646 E CB 0.441 30.168 29.700 0.046 0.000 0.984 646 E HN 0.587 nan 8.360 nan 0.000 0.425 647 N N 2.672 121.504 118.700 0.220 0.000 2.758 647 N HA -0.276 4.461 4.740 -0.005 0.000 0.248 647 N C -1.540 174.069 175.510 0.164 0.000 1.076 647 N CA 0.553 53.719 53.050 0.194 0.000 0.696 647 N CB -1.772 36.842 38.487 0.211 0.000 0.979 647 N HN 0.532 nan 8.380 nan 0.000 0.550 648 Y N 1.659 121.978 120.300 0.031 0.000 2.721 648 Y HA 0.125 4.671 4.550 -0.005 0.000 0.329 648 Y C 1.128 177.045 175.900 0.028 0.000 1.211 648 Y CA 0.732 58.834 58.100 0.004 0.000 1.512 648 Y CB 0.265 38.695 38.460 -0.050 0.000 1.249 648 Y HN 0.356 nan 8.280 nan 0.000 0.549 649 R N 2.584 122.725 120.500 -0.598 0.000 2.762 649 R HA 0.448 4.785 4.340 -0.005 0.000 0.271 649 R C -0.414 175.527 176.300 -0.598 0.000 1.038 649 R CA -0.583 55.239 56.100 -0.464 0.000 0.906 649 R CB 0.371 30.579 30.300 -0.153 0.000 1.259 649 R HN 0.361 nan 8.270 nan 0.000 0.457 650 V N 1.109 120.692 119.914 -0.551 0.000 2.282 650 V HA -0.297 3.820 4.120 -0.005 0.000 0.249 650 V C 2.601 178.546 176.094 -0.248 0.000 1.057 650 V CA 2.852 64.903 62.300 -0.416 0.000 1.032 650 V CB -0.839 30.701 31.823 -0.472 0.000 0.645 650 V HN 0.930 nan 8.190 nan 0.000 0.447 651 S N -0.021 115.548 115.700 -0.219 0.000 2.399 651 S HA -0.174 4.293 4.470 -0.005 0.000 0.231 651 S C 1.924 176.446 174.600 -0.131 0.000 1.022 651 S CA 1.645 59.748 58.200 -0.161 0.000 0.983 651 S CB -0.502 62.633 63.200 -0.109 0.000 0.803 651 S HN 0.392 nan 8.310 nan 0.000 0.480 652 L N 1.986 123.138 121.223 -0.118 0.000 2.109 652 L HA 0.325 4.662 4.340 -0.005 0.000 0.207 652 L C 2.721 179.593 176.870 0.005 0.000 1.086 652 L CA 1.400 56.214 54.840 -0.042 0.000 0.760 652 L CB -1.321 40.778 42.059 0.066 0.000 0.910 652 L HN 0.349 nan 8.230 nan 0.000 0.437 653 A N -0.625 122.178 122.820 -0.029 0.000 1.917 653 A HA -0.263 4.054 4.320 -0.005 0.000 0.219 653 A C 2.133 179.792 177.584 0.126 0.000 1.182 653 A CA 1.994 54.105 52.037 0.123 0.000 0.633 653 A CB -0.658 18.413 19.000 0.119 0.000 0.819 653 A HN 0.610 nan 8.150 nan 0.000 0.448 654 E N -0.513 119.729 120.200 0.071 0.000 2.265 654 E HA -0.164 4.183 4.350 -0.005 0.000 0.196 654 E C 1.905 178.477 176.600 -0.047 0.000 0.996 654 E CA 1.188 57.579 56.400 -0.015 0.000 0.832 654 E CB -0.060 29.524 29.700 -0.192 0.000 0.756 654 E HN 0.643 nan 8.360 nan 0.000 0.491 655 K N 0.070 120.431 120.400 -0.065 0.000 2.141 655 K HA 0.019 4.336 4.320 -0.005 0.000 0.202 655 K C 2.155 178.672 176.600 -0.139 0.000 1.045 655 K CA 0.478 56.738 56.287 -0.046 0.000 0.971 655 K CB 0.013 32.469 32.500 -0.074 0.000 0.795 655 K HN -0.052 nan 8.250 nan 0.000 0.459 656 V N 1.784 121.506 119.914 -0.320 0.000 2.535 656 V HA -0.101 4.016 4.120 -0.005 0.000 0.246 656 V C 1.879 177.733 176.094 -0.400 0.000 1.045 656 V CA 1.110 62.964 62.300 -0.744 0.000 1.058 656 V CB -0.138 31.241 31.823 -0.740 0.000 0.689 656 V HN 0.239 nan 8.190 nan 0.000 0.461 657 I N 0.843 121.224 120.570 -0.316 0.000 2.179 657 I HA -0.131 4.036 4.170 -0.005 0.000 0.242 657 I C -0.265 175.719 176.117 -0.221 0.000 1.088 657 I CA 1.647 62.674 61.300 -0.456 0.000 1.357 657 I CB -1.551 36.060 38.000 -0.649 0.000 1.051 657 I HN 0.368 nan 8.210 nan 0.000 0.409 658 P HA -0.113 nan 4.420 nan 0.000 0.225 658 P C 0.951 178.250 177.300 -0.002 0.000 1.148 658 P CA 1.199 64.278 63.100 -0.036 0.000 0.779 658 P CB 0.020 31.712 31.700 -0.013 0.000 0.780 659 A N -1.138 121.671 122.820 -0.018 0.000 2.275 659 A HA 0.463 4.780 4.320 -0.005 0.000 0.212 659 A C 1.174 178.851 177.584 0.154 0.000 1.201 659 A CA 0.117 52.196 52.037 0.071 0.000 0.843 659 A CB -0.646 18.421 19.000 0.112 0.000 0.873 659 A HN 0.199 nan 8.150 nan 0.000 0.492 660 A N -0.041 122.862 122.820 0.139 0.000 2.363 660 A HA 0.479 4.796 4.320 -0.005 0.000 0.270 660 A C 0.343 178.079 177.584 0.253 0.000 1.121 660 A CA -0.234 51.955 52.037 0.254 0.000 0.800 660 A CB 0.357 19.613 19.000 0.427 0.000 1.052 660 A HN 0.269 nan 8.150 nan 0.000 0.493 661 D N 0.479 121.031 120.400 0.253 0.000 2.338 661 D HA 0.092 4.729 4.640 -0.005 0.000 0.224 661 D C -0.180 176.354 176.300 0.391 0.000 0.967 661 D CA 0.937 55.141 54.000 0.340 0.000 0.896 661 D CB 0.216 41.127 40.800 0.184 0.000 1.028 661 D HN 0.360 nan 8.370 nan 0.000 0.493 662 L N 0.558 121.892 121.223 0.186 0.000 2.356 662 L HA 0.335 4.672 4.340 -0.005 0.000 0.277 662 L C -0.706 176.070 176.870 -0.157 0.000 0.996 662 L CA -0.504 54.369 54.840 0.055 0.000 0.822 662 L CB 2.102 44.158 42.059 -0.004 0.000 1.256 662 L HN -0.292 nan 8.230 nan 0.000 0.413 663 S N 4.114 119.628 115.700 -0.310 0.000 2.422 663 S HA 0.416 4.883 4.470 -0.005 0.000 0.298 663 S C -0.525 173.796 174.600 -0.465 0.000 1.118 663 S CA -0.636 57.098 58.200 -0.778 0.000 1.083 663 S CB 0.265 62.966 63.200 -0.832 0.000 0.971 663 S HN 0.608 nan 8.310 nan 0.000 0.478 664 E N 4.149 124.079 120.200 -0.450 0.000 2.105 664 E HA 0.200 4.547 4.350 -0.005 0.000 0.285 664 E C -0.478 176.004 176.600 -0.197 0.000 1.055 664 E CA -0.318 55.953 56.400 -0.215 0.000 0.843 664 E CB 0.948 30.554 29.700 -0.157 0.000 1.067 664 E HN 0.613 nan 8.360 nan 0.000 0.398 665 Q N 2.816 122.561 119.800 -0.092 0.000 3.122 665 Q HA 0.265 4.602 4.340 -0.005 0.000 0.282 665 Q C 0.613 176.594 176.000 -0.032 0.000 0.947 665 Q CA -0.124 55.635 55.803 -0.074 0.000 0.812 665 Q CB 0.208 28.911 28.738 -0.058 0.000 1.333 665 Q HN 0.602 nan 8.270 nan 0.000 0.430 666 I N -1.862 118.676 120.570 -0.053 0.000 3.762 666 I HA 0.264 4.431 4.170 -0.005 0.000 0.333 666 I C 0.436 176.498 176.117 -0.091 0.000 1.566 666 I CA -0.693 60.586 61.300 -0.036 0.000 1.129 666 I CB 0.506 38.486 38.000 -0.035 0.000 1.218 666 I HN -0.008 nan 8.210 nan 0.000 0.456 667 S N 0.471 116.121 115.700 -0.084 0.000 2.563 667 S HA 0.127 4.594 4.470 -0.005 0.000 0.284 667 S C 0.598 175.179 174.600 -0.031 0.000 1.331 667 S CA -0.240 57.937 58.200 -0.038 0.000 1.047 667 S CB 0.100 63.335 63.200 0.058 0.000 0.859 667 S HN 0.400 nan 8.310 nan 0.000 0.514 668 T N 2.855 117.426 114.554 0.028 0.000 2.908 668 T HA 0.354 4.701 4.350 -0.005 0.000 0.301 668 T C 0.770 175.477 174.700 0.010 0.000 1.019 668 T CA 0.290 62.410 62.100 0.034 0.000 1.152 668 T CB -0.064 68.893 68.868 0.148 0.000 0.966 668 T HN 1.024 nan 8.240 nan 0.000 0.540 669 A N 2.758 125.552 122.820 -0.043 0.000 2.566 669 A HA 0.458 4.775 4.320 -0.005 0.000 0.245 669 A C 1.637 179.209 177.584 -0.020 0.000 1.056 669 A CA 0.276 52.283 52.037 -0.050 0.000 0.757 669 A CB -0.892 18.065 19.000 -0.070 0.000 0.979 669 A HN 1.704 nan 8.150 nan 0.000 0.508 670 G N 1.422 110.209 108.800 -0.021 0.000 2.179 670 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.220 670 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.220 670 G C 0.877 175.760 174.900 -0.028 0.000 0.990 670 G CA 1.061 46.151 45.100 -0.016 0.000 0.646 670 G HN 1.927 nan 8.290 nan 0.000 0.517 671 T N -2.297 112.235 114.554 -0.037 0.000 3.038 671 T HA 0.408 4.755 4.350 -0.005 0.000 0.244 671 T C 0.757 175.271 174.700 -0.309 0.000 1.016 671 T CA 1.073 63.081 62.100 -0.154 0.000 1.098 671 T CB 0.540 69.375 68.868 -0.055 0.000 0.954 671 T HN 0.297 nan 8.240 nan 0.000 0.469 672 E N 1.426 121.583 120.200 -0.070 0.000 2.105 672 E HA 0.653 5.000 4.350 -0.005 0.000 0.285 672 E C 1.123 177.665 176.600 -0.096 0.000 1.055 672 E CA 0.084 56.485 56.400 0.001 0.000 0.843 672 E CB 0.923 30.692 29.700 0.115 0.000 1.067 672 E HN 0.333 nan 8.360 nan 0.000 0.398 673 A N 3.455 126.153 122.820 -0.203 0.000 1.883 673 A HA -0.186 4.131 4.320 -0.005 0.000 0.217 673 A C 1.971 179.431 177.584 -0.207 0.000 1.186 673 A CA 2.174 53.970 52.037 -0.401 0.000 0.624 673 A CB -0.241 18.316 19.000 -0.738 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.444 674 S N -3.908 111.731 115.700 -0.102 0.000 3.770 674 S HA 0.443 4.910 4.470 -0.005 0.000 0.238 674 S C 0.713 175.303 174.600 -0.017 0.000 1.143 674 S CA 1.431 59.615 58.200 -0.027 0.000 0.869 674 S CB -0.184 63.025 63.200 0.015 0.000 1.057 674 S HN 2.253 nan 8.310 nan 0.000 0.507 675 G N 0.436 109.234 108.800 -0.004 0.000 2.722 675 G HA2 -0.078 3.879 3.960 -0.005 0.000 0.686 675 G HA3 -0.078 3.879 3.960 -0.005 0.000 0.686 675 G C 0.252 175.139 174.900 -0.022 0.000 1.282 675 G CA 0.452 45.548 45.100 -0.007 0.000 0.817 675 G HN 1.308 nan 8.290 nan 0.000 0.605 676 T N -1.808 112.722 114.554 -0.039 0.000 2.992 676 T HA 0.382 4.729 4.350 -0.005 0.000 0.255 676 T C 2.354 176.966 174.700 -0.146 0.000 0.938 676 T CA 1.213 63.263 62.100 -0.083 0.000 0.895 676 T CB 0.305 69.118 68.868 -0.090 0.000 1.221 676 T HN 1.859 nan 8.240 nan 0.000 0.512 677 G N 3.375 112.118 108.800 -0.094 0.000 2.418 677 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.217 677 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.217 677 G C 1.569 176.537 174.900 0.114 0.000 1.158 677 G CA 1.304 46.375 45.100 -0.049 0.000 0.771 677 G HN 0.673 nan 8.290 nan 0.000 0.545 678 N N 0.830 119.568 118.700 0.065 0.000 2.060 678 N HA -0.164 4.573 4.740 -0.005 0.000 0.195 678 N C 1.421 176.944 175.510 0.022 0.000 1.028 678 N CA 1.083 54.166 53.050 0.054 0.000 0.861 678 N CB -0.661 37.805 38.487 -0.035 0.000 1.029 678 N HN 0.390 nan 8.380 nan 0.000 0.428 682 M N 0.322 120.009 119.600 0.146 0.000 2.086 682 M HA -0.154 4.323 4.480 -0.005 0.000 0.261 682 M C 2.039 178.389 176.300 0.084 0.000 1.067 682 M CA 1.862 57.213 55.300 0.085 0.000 1.116 682 M CB -0.109 32.548 32.600 0.095 0.000 1.348 682 M HN 0.316 nan 8.290 nan 0.000 0.407 683 L N 0.847 122.123 121.223 0.087 0.000 2.191 683 L HA -0.119 4.218 4.340 -0.005 0.000 0.212 683 L C 1.355 178.268 176.870 0.073 0.000 1.103 683 L CA 1.681 56.578 54.840 0.095 0.000 0.769 683 L CB -0.646 41.481 42.059 0.113 0.000 0.908 683 L HN 0.367 nan 8.230 nan 0.000 0.438 684 N N -0.423 118.309 118.700 0.054 0.000 2.214 684 N HA 0.170 4.907 4.740 -0.005 0.000 0.214 684 N C 0.849 176.387 175.510 0.046 0.000 1.132 684 N CA 0.779 53.853 53.050 0.039 0.000 0.856 684 N CB 0.603 39.090 38.487 -0.000 0.000 1.020 684 N HN 0.412 nan 8.380 nan 0.000 0.509 685 G N 0.590 109.421 108.800 0.052 0.000 2.142 685 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.225 685 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.225 685 G C 0.003 174.958 174.900 0.092 0.000 1.015 685 G CA 0.136 45.264 45.100 0.046 0.000 0.716 685 G HN 0.505 nan 8.290 nan 0.000 0.508 686 A N -0.276 122.614 122.820 0.115 0.000 2.312 686 A HA 0.877 5.194 4.320 -0.005 0.000 0.328 686 A C 0.405 177.984 177.584 -0.008 0.000 1.158 686 A CA -0.587 51.544 52.037 0.156 0.000 0.821 686 A CB 0.966 20.145 19.000 0.298 0.000 1.170 686 A HN 0.715 nan 8.150 nan 0.000 0.490 687 L N 0.866 122.047 121.223 -0.069 0.000 2.379 687 L HA 0.449 4.786 4.340 -0.005 0.000 0.269 687 L C 0.158 176.926 176.870 -0.170 0.000 1.084 687 L CA -0.375 54.313 54.840 -0.253 0.000 0.802 687 L CB 1.614 43.417 42.059 -0.428 0.000 1.175 687 L HN 0.684 nan 8.230 nan 0.000 0.448 688 T N 2.868 117.252 114.554 -0.284 0.000 2.779 688 T HA 0.451 4.798 4.350 -0.005 0.000 0.280 688 T C -0.372 174.378 174.700 0.084 0.000 0.987 688 T CA -0.247 61.755 62.100 -0.165 0.000 0.966 688 T CB 1.444 70.188 68.868 -0.206 0.000 0.933 688 T HN 0.342 nan 8.240 nan 0.000 0.442 689 I N 3.047 123.670 120.570 0.088 0.000 2.321 689 I HA 0.707 4.874 4.170 -0.005 0.000 0.291 689 I C 0.152 176.455 176.117 0.309 0.000 0.998 689 I CA 0.164 61.606 61.300 0.236 0.000 1.227 689 I CB 0.345 38.394 38.000 0.081 0.000 1.368 689 I HN 0.780 nan 8.210 nan 0.000 0.466 690 G N 3.957 113.007 108.800 0.417 0.000 2.601 690 G HA2 0.433 4.390 3.960 -0.005 0.000 0.291 690 G HA3 0.433 4.390 3.960 -0.005 0.000 0.291 690 G C -0.936 173.863 174.900 -0.167 0.000 1.456 690 G CA -0.433 44.777 45.100 0.183 0.000 0.804 690 G HN 0.592 nan 8.290 nan 0.000 0.499 691 T N -1.131 113.199 114.554 -0.374 0.000 2.874 691 T HA 0.507 4.854 4.350 -0.005 0.000 0.281 691 T C 0.788 175.355 174.700 -0.223 0.000 0.994 691 T CA -0.701 61.115 62.100 -0.472 0.000 1.015 691 T CB 1.109 69.718 68.868 -0.432 0.000 1.028 691 T HN 0.276 nan 8.240 nan 0.000 0.523 692 M N 2.893 122.378 119.600 -0.191 0.000 3.254 692 M HA 0.311 4.787 4.480 -0.005 0.000 0.257 692 M C -0.456 175.783 176.300 -0.102 0.000 1.490 692 M CA 0.057 55.283 55.300 -0.125 0.000 1.620 692 M CB -1.826 30.713 32.600 -0.102 0.000 1.157 692 M HN 0.734 nan 8.290 nan 0.000 0.541 693 D N 0.012 120.356 120.400 -0.093 0.000 2.732 693 D HA 0.661 5.298 4.640 -0.005 0.000 0.229 693 D C 0.670 176.939 176.300 -0.051 0.000 1.152 693 D CA 0.763 54.724 54.000 -0.065 0.000 0.854 693 D CB 1.696 42.459 40.800 -0.062 0.000 1.590 693 D HN 0.600 nan 8.370 nan 0.000 0.468 694 G N 1.847 110.628 108.800 -0.031 0.000 2.634 694 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.309 694 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.309 694 G C 1.036 175.924 174.900 -0.020 0.000 1.265 694 G CA 1.148 46.235 45.100 -0.021 0.000 0.998 694 G HN 1.095 nan 8.290 nan 0.000 0.551 695 A N -0.220 122.583 122.820 -0.028 0.000 2.206 695 A HA 0.138 4.455 4.320 -0.005 0.000 0.211 695 A C 2.089 179.598 177.584 -0.126 0.000 1.158 695 A CA 1.726 53.741 52.037 -0.036 0.000 0.761 695 A CB -0.422 18.557 19.000 -0.035 0.000 0.801 695 A HN 0.611 nan 8.150 nan 0.000 0.473 696 N N 0.645 119.273 118.700 -0.120 0.000 2.094 696 N HA -0.163 4.574 4.740 -0.005 0.000 0.191 696 N C 1.617 176.998 175.510 -0.215 0.000 1.023 696 N CA 1.660 54.620 53.050 -0.150 0.000 0.857 696 N CB -0.647 37.789 38.487 -0.086 0.000 1.013 696 N HN 0.294 nan 8.380 nan 0.000 0.426 697 V N 1.287 121.117 119.914 -0.139 0.000 2.287 697 V HA -0.220 3.897 4.120 -0.005 0.000 0.248 697 V C 1.979 178.000 176.094 -0.122 0.000 1.053 697 V CA 1.735 63.958 62.300 -0.129 0.000 1.027 697 V CB -0.522 31.258 31.823 -0.072 0.000 0.646 697 V HN 0.356 nan 8.190 nan 0.000 0.447 698 E N -0.640 119.538 120.200 -0.037 0.000 2.208 698 E HA -0.123 4.224 4.350 -0.005 0.000 0.193 698 E C 2.204 178.906 176.600 0.170 0.000 0.988 698 E CA 0.981 57.435 56.400 0.089 0.000 0.828 698 E CB -0.181 29.653 29.700 0.224 0.000 0.763 698 E HN 0.545 nan 8.360 nan 0.000 0.478 699 M N 0.479 120.042 119.600 -0.062 0.000 2.086 699 M HA -0.145 4.332 4.480 -0.005 0.000 0.261 699 M C 2.496 178.461 176.300 -0.559 0.000 1.067 699 M CA 1.561 56.716 55.300 -0.242 0.000 1.116 699 M CB -0.193 32.134 32.600 -0.455 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.209 122.034 122.820 -0.960 0.000 1.933 700 A HA -0.215 4.102 4.320 -0.005 0.000 0.218 700 A C 1.995 179.374 177.584 -0.341 0.000 1.175 700 A CA 1.907 53.375 52.037 -0.948 0.000 0.628 700 A CB -0.802 17.773 19.000 -0.708 0.000 0.814 700 A HN 0.581 nan 8.150 nan 0.000 0.444 701 E N -0.356 119.725 120.200 -0.199 0.000 2.051 701 E HA -0.224 4.123 4.350 -0.005 0.000 0.192 701 E C 1.813 178.391 176.600 -0.037 0.000 0.991 701 E CA 1.307 57.657 56.400 -0.084 0.000 0.799 701 E CB -0.088 29.583 29.700 -0.047 0.000 0.748 701 E HN 0.549 nan 8.360 nan 0.000 0.449 702 E N -0.019 120.186 120.200 0.009 0.000 2.077 702 E HA -0.153 4.194 4.350 -0.005 0.000 0.193 702 E C 1.792 178.432 176.600 0.067 0.000 0.989 702 E CA 1.176 57.610 56.400 0.056 0.000 0.800 702 E CB -0.162 29.630 29.700 0.154 0.000 0.746 702 E HN 0.356 nan 8.360 nan 0.000 0.452 703 A N 0.210 123.082 122.820 0.088 0.000 2.081 703 A HA 0.358 4.675 4.320 -0.005 0.000 0.214 703 A C 1.036 178.673 177.584 0.088 0.000 1.158 703 A CA 1.008 53.132 52.037 0.145 0.000 0.724 703 A CB 0.074 19.288 19.000 0.357 0.000 0.826 703 A HN 0.240 nan 8.150 nan 0.000 0.463 704 G N -0.409 108.410 108.800 0.031 0.000 3.190 704 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.686 704 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.686 704 G C 0.001 174.915 174.900 0.024 0.000 1.033 704 G CA 0.044 45.151 45.100 0.012 0.000 0.797 704 G HN 0.270 nan 8.290 nan 0.000 0.567 705 E N 0.574 120.763 120.200 -0.019 0.000 2.209 705 E HA -0.201 4.146 4.350 -0.005 0.000 0.196 705 E C 2.370 178.974 176.600 0.007 0.000 0.993 705 E CA 1.328 57.721 56.400 -0.013 0.000 0.819 705 E CB 0.087 29.767 29.700 -0.033 0.000 0.745 705 E HN 0.784 nan 8.360 nan 0.000 0.477 706 E N 0.768 120.958 120.200 -0.017 0.000 2.333 706 E HA -0.189 4.158 4.350 -0.005 0.000 0.198 706 E C 0.827 177.359 176.600 -0.113 0.000 1.007 706 E CA 0.869 57.233 56.400 -0.060 0.000 0.845 706 E CB -0.123 29.549 29.700 -0.047 0.000 0.766 706 E HN 0.214 nan 8.360 nan 0.000 0.507 707 N N -0.365 118.314 118.700 -0.035 0.000 2.203 707 N HA 0.152 4.889 4.740 -0.005 0.000 0.207 707 N C -0.977 174.449 175.510 -0.139 0.000 1.130 707 N CA 0.059 53.054 53.050 -0.091 0.000 0.861 707 N CB 0.289 38.779 38.487 0.005 0.000 1.005 707 N HN 0.027 nan 8.380 nan 0.000 0.507 708 F N -0.389 119.393 119.950 -0.279 0.000 2.551 708 F HA 0.397 4.921 4.527 -0.006 0.000 0.316 708 F C -0.253 175.377 175.800 -0.282 0.000 1.089 708 F CA -1.031 56.843 58.000 -0.210 0.000 0.915 708 F CB 1.156 40.105 39.000 -0.085 0.000 1.186 708 F HN -0.203 nan 8.300 nan 0.000 0.456 709 F N 4.751 124.760 119.950 0.099 0.000 2.541 709 F HA 0.296 4.820 4.527 -0.005 0.000 0.351 709 F C -0.048 175.891 175.800 0.231 0.000 1.209 709 F CA -0.389 57.682 58.000 0.119 0.000 1.277 709 F CB -0.382 38.648 39.000 0.050 0.000 1.632 709 F HN 0.016 nan 8.300 nan 0.000 0.619 710 I N 3.637 124.386 120.570 0.299 0.000 2.395 710 I HA 0.272 4.439 4.170 -0.005 0.000 0.289 710 I C -0.030 176.254 176.117 0.278 0.000 1.023 710 I CA -0.637 60.797 61.300 0.224 0.000 1.350 710 I CB 0.191 38.244 38.000 0.089 0.000 1.409 710 I HN 0.292 nan 8.210 nan 0.000 0.507 711 F N 2.753 122.760 119.950 0.096 0.000 2.685 711 F HA 0.893 5.416 4.527 -0.006 0.000 0.315 711 F C 0.060 175.896 175.800 0.060 0.000 1.126 711 F CA -0.553 57.498 58.000 0.085 0.000 0.950 711 F CB 1.332 40.401 39.000 0.115 0.000 1.360 711 F HN 0.814 nan 8.300 nan 0.000 0.469 712 G N 1.022 109.896 108.800 0.124 0.000 2.757 712 G HA2 -0.076 3.881 3.960 -0.005 0.000 0.638 712 G HA3 -0.076 3.881 3.960 -0.005 0.000 0.638 712 G C -0.864 174.014 174.900 -0.036 0.000 1.344 712 G CA -0.652 44.464 45.100 0.026 0.000 0.855 712 G HN 0.968 nan 8.290 nan 0.000 0.537 713 M N 0.265 119.854 119.600 -0.018 0.000 2.250 713 M HA 0.238 4.715 4.480 -0.005 0.000 0.337 713 M C 1.131 177.397 176.300 -0.057 0.000 1.161 713 M CA 0.301 55.593 55.300 -0.014 0.000 1.088 713 M CB 0.317 32.915 32.600 -0.003 0.000 1.639 713 M HN 0.556 nan 8.290 nan 0.000 0.447 714 R N 1.282 121.762 120.500 -0.034 0.000 2.546 714 R HA 0.247 4.584 4.340 -0.005 0.000 0.266 714 R C 1.071 177.351 176.300 -0.032 0.000 1.086 714 R CA -0.475 55.599 56.100 -0.043 0.000 1.160 714 R CB 0.270 30.552 30.300 -0.030 0.000 1.138 714 R HN 0.575 nan 8.270 nan 0.000 0.567 715 V N 1.724 121.618 119.914 -0.034 0.000 2.324 715 V HA -0.313 3.804 4.120 -0.005 0.000 0.250 715 V C 2.102 178.186 176.094 -0.017 0.000 1.060 715 V CA 2.414 64.698 62.300 -0.027 0.000 1.042 715 V CB -0.734 31.072 31.823 -0.029 0.000 0.650 715 V HN 0.868 nan 8.190 nan 0.000 0.450 716 E N 0.093 120.285 120.200 -0.014 0.000 2.130 716 E HA -0.298 4.049 4.350 -0.005 0.000 0.196 716 E C 1.599 178.203 176.600 0.007 0.000 0.998 716 E CA 1.887 58.284 56.400 -0.005 0.000 0.806 716 E CB -0.507 29.191 29.700 -0.004 0.000 0.738 716 E HN 0.624 nan 8.360 nan 0.000 0.459 717 D N 1.052 121.458 120.400 0.010 0.000 2.149 717 D HA -0.078 4.559 4.640 -0.005 0.000 0.201 717 D C 2.310 178.628 176.300 0.030 0.000 0.972 717 D CA 1.082 55.099 54.000 0.028 0.000 0.835 717 D CB -0.022 40.799 40.800 0.034 0.000 0.966 717 D HN 0.135 nan 8.370 nan 0.000 0.476 718 V N 2.025 121.944 119.914 0.007 0.000 2.295 718 V HA -0.223 3.894 4.120 -0.005 0.000 0.246 718 V C 1.937 178.032 176.094 0.002 0.000 1.049 718 V CA 1.778 64.074 62.300 -0.007 0.000 1.024 718 V CB -0.440 31.369 31.823 -0.025 0.000 0.648 718 V HN 0.030 nan 8.190 nan 0.000 0.447 719 D N -0.210 120.191 120.400 0.001 0.000 2.144 719 D HA -0.142 4.494 4.640 -0.005 0.000 0.199 719 D C 2.400 178.711 176.300 0.019 0.000 0.984 719 D CA 1.146 55.148 54.000 0.003 0.000 0.834 719 D CB -0.283 40.515 40.800 -0.004 0.000 0.955 719 D HN 0.369 nan 8.370 nan 0.000 0.465 720 R N 0.033 120.549 120.500 0.028 0.000 2.081 720 R HA -0.016 4.321 4.340 -0.005 0.000 0.235 720 R C 2.512 178.849 176.300 0.061 0.000 1.131 720 R CA 0.528 56.652 56.100 0.041 0.000 0.960 720 R CB -0.328 29.998 30.300 0.044 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.436 721 L N 0.622 121.892 121.223 0.079 0.000 2.046 721 L HA -0.222 4.115 4.340 -0.005 0.000 0.208 721 L C 1.704 178.639 176.870 0.108 0.000 1.077 721 L CA 1.247 56.162 54.840 0.124 0.000 0.747 721 L CB -0.340 41.814 42.059 0.158 0.000 0.896 721 L HN 0.211 nan 8.230 nan 0.000 0.432 722 D N -0.445 119.993 120.400 0.063 0.000 2.117 722 D HA -0.216 4.421 4.640 -0.005 0.000 0.197 722 D C 2.236 178.563 176.300 0.045 0.000 0.987 722 D CA 1.147 55.175 54.000 0.046 0.000 0.829 722 D CB -0.111 40.697 40.800 0.012 0.000 0.961 722 D HN 0.407 nan 8.370 nan 0.000 0.460 723 Q N -0.148 119.675 119.800 0.039 0.000 2.135 723 Q HA -0.164 4.173 4.340 -0.005 0.000 0.204 723 Q C 2.068 178.091 176.000 0.039 0.000 0.981 723 Q CA 1.444 57.266 55.803 0.033 0.000 0.856 723 Q CB -0.040 28.714 28.738 0.027 0.000 0.902 723 Q HN 0.344 nan 8.270 nan 0.000 0.425 724 R N -0.782 119.749 120.500 0.053 0.000 2.308 724 R HA 0.278 4.615 4.340 -0.005 0.000 0.202 724 R C 0.083 176.420 176.300 0.061 0.000 0.898 724 R CA 0.558 56.689 56.100 0.052 0.000 1.046 724 R CB 0.569 30.900 30.300 0.053 0.000 1.026 724 R HN 0.056 nan 8.270 nan 0.000 0.512 725 G N 0.978 109.827 108.800 0.082 0.000 3.209 725 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.686 725 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.686 725 G C -1.406 173.586 174.900 0.153 0.000 1.065 725 G CA -0.376 44.782 45.100 0.097 0.000 0.812 725 G HN 0.306 nan 8.290 nan 0.000 0.573 726 Y N 3.065 123.393 120.300 0.047 0.000 2.436 726 Y HA 0.566 5.113 4.550 -0.005 0.000 0.343 726 Y C 0.343 176.292 175.900 0.082 0.000 1.008 726 Y CA -1.122 57.025 58.100 0.079 0.000 1.241 726 Y CB 1.085 39.570 38.460 0.043 0.000 1.153 726 Y HN 0.617 nan 8.280 nan 0.000 0.521 727 N N 4.948 123.461 118.700 -0.313 0.000 2.621 727 N HA 0.324 5.061 4.740 -0.005 0.000 0.237 727 N C 0.371 175.638 175.510 -0.405 0.000 0.997 727 N CA 0.284 53.141 53.050 -0.320 0.000 0.918 727 N CB 1.019 39.434 38.487 -0.119 0.000 1.122 727 N HN 0.777 nan 8.380 nan 0.000 0.510 728 A N 2.674 125.114 122.820 -0.634 0.000 2.024 728 A HA -0.204 4.113 4.320 -0.005 0.000 0.220 728 A C 1.893 179.601 177.584 0.205 0.000 1.164 728 A CA 1.459 53.361 52.037 -0.226 0.000 0.643 728 A CB -0.410 18.372 19.000 -0.364 0.000 0.806 728 A HN 0.699 nan 8.150 nan 0.000 0.451 729 Q N 0.209 120.019 119.800 0.016 0.000 2.135 729 Q HA -0.219 4.118 4.340 -0.005 0.000 0.204 729 Q C 1.917 177.988 176.000 0.118 0.000 0.981 729 Q CA 2.197 58.037 55.803 0.062 0.000 0.856 729 Q CB -0.337 28.389 28.738 -0.020 0.000 0.902 729 Q HN 0.782 nan 8.270 nan 0.000 0.425 730 E N -1.365 118.844 120.200 0.016 0.000 2.085 730 E HA -0.237 4.110 4.350 -0.005 0.000 0.194 730 E C 1.494 178.022 176.600 -0.120 0.000 0.994 730 E CA 1.389 57.725 56.400 -0.106 0.000 0.801 730 E CB -0.195 29.344 29.700 -0.268 0.000 0.743 730 E HN 0.581 nan 8.360 nan 0.000 0.453 731 Y N -1.004 119.361 120.300 0.108 0.000 2.220 731 Y HA -0.195 4.352 4.550 -0.005 0.000 0.291 731 Y C 2.248 178.146 175.900 -0.003 0.000 1.129 731 Y CA 1.495 59.651 58.100 0.093 0.000 1.161 731 Y CB -0.767 37.810 38.460 0.196 0.000 0.997 731 Y HN 0.205 nan 8.280 nan 0.000 0.522 732 Y N 1.468 121.797 120.300 0.049 0.000 2.114 732 Y HA -0.308 4.239 4.550 -0.005 0.000 0.282 732 Y C 1.826 177.690 175.900 -0.060 0.000 1.165 732 Y CA 2.007 60.052 58.100 -0.092 0.000 1.148 732 Y CB -0.395 38.067 38.460 0.003 0.000 0.972 732 Y HN 0.098 nan 8.280 nan 0.000 0.504 733 D N -0.460 120.024 120.400 0.140 0.000 2.269 733 D HA -0.077 4.560 4.640 -0.005 0.000 0.208 733 D C 1.907 178.179 176.300 -0.046 0.000 0.963 733 D CA 1.132 55.160 54.000 0.047 0.000 0.864 733 D CB -0.132 40.718 40.800 0.083 0.000 0.936 733 D HN 0.463 nan 8.370 nan 0.000 0.505 734 R N -0.420 120.053 120.500 -0.046 0.000 2.308 734 R HA 0.299 4.636 4.340 -0.005 0.000 0.202 734 R C 0.289 176.565 176.300 -0.039 0.000 0.898 734 R CA 0.125 56.200 56.100 -0.042 0.000 1.046 734 R CB 1.045 31.320 30.300 -0.041 0.000 1.026 734 R HN 0.097 nan 8.270 nan 0.000 0.512 735 I N 1.437 121.960 120.570 -0.077 0.000 2.464 735 I HA 0.233 4.399 4.170 -0.005 0.000 0.277 735 I C -2.035 173.985 176.117 -0.161 0.000 1.040 735 I CA -2.311 58.949 61.300 -0.067 0.000 1.153 735 I CB 2.081 40.076 38.000 -0.009 0.000 1.274 735 I HN -0.275 nan 8.210 nan 0.000 0.469 736 P HA -0.176 nan 4.420 nan 0.000 0.216 736 P C 1.187 178.398 177.300 -0.148 0.000 1.153 736 P CA 1.451 64.463 63.100 -0.147 0.000 0.858 736 P CB 0.321 31.969 31.700 -0.087 0.000 0.789 737 E N -1.112 119.041 120.200 -0.078 0.000 2.106 737 E HA -0.148 4.199 4.350 -0.005 0.000 0.192 737 E C 1.874 178.399 176.600 -0.125 0.000 0.984 737 E CA 0.597 56.974 56.400 -0.038 0.000 0.806 737 E CB -0.576 29.172 29.700 0.081 0.000 0.750 737 E HN 0.114 nan 8.360 nan 0.000 0.458 738 L N 1.251 122.299 121.223 -0.291 0.000 2.027 738 L HA -0.134 4.203 4.340 -0.005 0.000 0.206 738 L C 2.360 178.967 176.870 -0.438 0.000 1.074 738 L CA 1.687 56.170 54.840 -0.596 0.000 0.745 738 L CB -0.324 41.199 42.059 -0.894 0.000 0.898 738 L HN -0.110 nan 8.230 nan 0.000 0.433 739 R N -0.788 119.420 120.500 -0.486 0.000 2.096 739 R HA -0.258 4.079 4.340 -0.005 0.000 0.240 739 R C 2.466 178.612 176.300 -0.257 0.000 1.139 739 R CA 2.144 57.881 56.100 -0.605 0.000 0.952 739 R CB -0.425 29.439 30.300 -0.728 0.000 0.854 739 R HN 0.620 nan 8.270 nan 0.000 0.436 740 Q N 0.209 119.896 119.800 -0.189 0.000 2.061 740 Q HA -0.202 4.135 4.340 -0.005 0.000 0.204 740 Q C 2.069 178.042 176.000 -0.043 0.000 0.984 740 Q CA 2.104 57.844 55.803 -0.105 0.000 0.846 740 Q CB -0.102 28.576 28.738 -0.099 0.000 0.902 740 Q HN 0.478 nan 8.270 nan 0.000 0.421 741 I N 0.538 121.088 120.570 -0.034 0.000 2.202 741 I HA -0.284 3.883 4.170 -0.005 0.000 0.242 741 I C 2.119 178.300 176.117 0.108 0.000 1.091 741 I CA 0.569 61.904 61.300 0.058 0.000 1.368 741 I CB -0.268 37.741 38.000 0.015 0.000 1.058 741 I HN 0.277 nan 8.210 nan 0.000 0.410 742 I N 0.597 121.215 120.570 0.080 0.000 2.226 742 I HA -0.230 3.937 4.170 -0.005 0.000 0.245 742 I C 2.522 178.759 176.117 0.200 0.000 1.100 742 I CA 1.548 62.959 61.300 0.185 0.000 1.374 742 I CB -1.340 36.846 38.000 0.311 0.000 1.057 742 I HN 0.282 nan 8.210 nan 0.000 0.413 743 E N 0.538 120.836 120.200 0.163 0.000 2.150 743 E HA -0.176 4.171 4.350 -0.005 0.000 0.193 743 E C 2.164 178.839 176.600 0.125 0.000 0.985 743 E CA 0.730 57.212 56.400 0.137 0.000 0.814 743 E CB -0.227 29.526 29.700 0.089 0.000 0.752 743 E HN 0.588 nan 8.360 nan 0.000 0.466 744 Q N 0.173 120.047 119.800 0.123 0.000 2.084 744 Q HA -0.059 4.278 4.340 -0.005 0.000 0.202 744 Q C 2.411 178.631 176.000 0.366 0.000 0.978 744 Q CA 0.964 56.875 55.803 0.180 0.000 0.844 744 Q CB -0.100 28.744 28.738 0.176 0.000 0.898 744 Q HN 0.251 nan 8.270 nan 0.000 0.426 745 L N -0.168 121.280 121.223 0.374 0.000 2.056 745 L HA -0.167 4.170 4.340 -0.005 0.000 0.207 745 L C 2.436 179.507 176.870 0.335 0.000 1.078 745 L CA 0.878 55.950 54.840 0.387 0.000 0.749 745 L CB -0.327 41.877 42.059 0.241 0.000 0.901 745 L HN 0.117 nan 8.230 nan 0.000 0.433 746 S N -0.265 115.584 115.700 0.248 0.000 2.368 746 S HA -0.141 4.326 4.470 -0.005 0.000 0.224 746 S C 2.154 176.858 174.600 0.173 0.000 1.029 746 S CA 1.487 59.805 58.200 0.197 0.000 0.988 746 S CB -0.192 63.104 63.200 0.159 0.000 0.838 746 S HN 0.596 nan 8.310 nan 0.000 0.462 747 S N 0.453 116.255 115.700 0.169 0.000 2.481 747 S HA 0.275 4.742 4.470 -0.005 0.000 0.231 747 S C 1.477 176.164 174.600 0.145 0.000 0.996 747 S CA 0.780 59.061 58.200 0.136 0.000 0.942 747 S CB -0.163 63.106 63.200 0.114 0.000 0.768 747 S HN 0.834 nan 8.310 nan 0.000 0.520 748 G N 0.487 109.406 108.800 0.197 0.000 2.135 748 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.183 748 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.183 748 G C 0.159 175.154 174.900 0.158 0.000 1.004 748 G CA 0.046 45.251 45.100 0.174 0.000 0.677 748 G HN 0.499 nan 8.290 nan 0.000 0.512 749 F N 0.194 120.147 119.950 0.004 0.000 2.216 749 F HA 0.199 4.723 4.527 -0.005 0.000 0.300 749 F C 1.797 177.395 175.800 -0.336 0.000 1.085 749 F CA 1.747 59.624 58.000 -0.204 0.000 1.326 749 F CB 0.013 38.813 39.000 -0.333 0.000 1.027 749 F HN 0.167 nan 8.300 nan 0.000 0.497 750 F N -0.195 119.801 119.950 0.077 0.000 2.664 750 F HA 0.199 4.723 4.527 -0.005 0.000 0.303 750 F C 0.653 176.536 175.800 0.139 0.000 1.092 750 F CA 0.162 58.169 58.000 0.011 0.000 1.305 750 F CB -0.008 39.029 39.000 0.061 0.000 1.054 750 F HN -0.016 nan 8.300 nan 0.000 0.565 751 S N -1.305 114.514 115.700 0.198 0.000 2.606 751 S HA 0.238 4.705 4.470 -0.005 0.000 0.156 751 S C -2.227 172.378 174.600 0.008 0.000 1.308 751 S CA -0.849 57.395 58.200 0.072 0.000 1.228 751 S CB 0.573 63.746 63.200 -0.045 0.000 1.568 751 S HN -0.118 nan 8.310 nan 0.000 0.397 752 P HA -0.086 nan 4.420 nan 0.000 0.218 752 P C 0.903 178.193 177.300 -0.017 0.000 1.149 752 P CA 1.125 64.208 63.100 -0.028 0.000 0.817 752 P CB 0.082 31.743 31.700 -0.065 0.000 0.785 753 K N -0.910 119.476 120.400 -0.022 0.000 2.365 753 K HA 0.006 4.323 4.320 -0.005 0.000 0.197 753 K C 1.383 177.975 176.600 -0.013 0.000 1.042 753 K CA 0.488 56.765 56.287 -0.016 0.000 0.987 753 K CB 0.159 32.650 32.500 -0.015 0.000 0.779 753 K HN 0.144 nan 8.250 nan 0.000 0.484 754 Q N 0.020 119.807 119.800 -0.021 0.000 3.429 754 Q HA 0.145 4.482 4.340 -0.005 0.000 0.237 754 Q C -2.434 173.546 176.000 -0.034 0.000 0.932 754 Q CA -1.724 54.062 55.803 -0.028 0.000 0.731 754 Q CB 1.196 29.911 28.738 -0.039 0.000 1.383 754 Q HN -0.125 nan 8.270 nan 0.000 0.446 755 P HA -0.190 nan 4.420 nan 0.000 0.216 755 P C 0.521 177.844 177.300 0.037 0.000 1.150 755 P CA 1.459 64.577 63.100 0.031 0.000 0.843 755 P CB 0.204 31.928 31.700 0.039 0.000 0.787 756 D N -1.256 119.152 120.400 0.014 0.000 2.325 756 D HA -0.026 4.611 4.640 -0.005 0.000 0.225 756 D C 1.605 177.894 176.300 -0.018 0.000 1.096 756 D CA -0.169 53.847 54.000 0.027 0.000 0.844 756 D CB -0.789 40.030 40.800 0.033 0.000 0.925 756 D HN 0.023 nan 8.370 nan 0.000 0.513 757 L N -0.104 121.037 121.223 -0.137 0.000 2.043 757 L HA -0.061 4.276 4.340 -0.005 0.000 0.212 757 L C 1.244 177.910 176.870 -0.340 0.000 1.075 757 L CA 1.688 56.331 54.840 -0.328 0.000 0.752 757 L CB -0.641 41.026 42.059 -0.654 0.000 0.891 757 L HN 0.006 nan 8.230 nan 0.000 0.432 758 F N -0.502 119.503 119.950 0.091 0.000 2.645 758 F HA 0.126 4.650 4.527 -0.005 0.000 0.300 758 F C 1.891 177.746 175.800 0.092 0.000 1.115 758 F CA -0.093 57.952 58.000 0.076 0.000 1.355 758 F CB -0.358 38.677 39.000 0.058 0.000 1.026 758 F HN 0.116 nan 8.300 nan 0.000 0.536 759 K N -0.171 120.349 120.400 0.199 0.000 2.103 759 K HA -0.201 4.116 4.320 -0.005 0.000 0.207 759 K C 0.895 177.601 176.600 0.178 0.000 1.048 759 K CA 2.055 58.445 56.287 0.170 0.000 0.930 759 K CB -0.276 32.297 32.500 0.122 0.000 0.716 759 K HN 0.106 nan 8.250 nan 0.000 0.444 760 D N 1.287 121.801 120.400 0.190 0.000 2.144 760 D HA -0.064 4.573 4.640 -0.005 0.000 0.200 760 D C 2.094 178.503 176.300 0.182 0.000 0.978 760 D CA 1.088 55.206 54.000 0.196 0.000 0.833 760 D CB -0.138 40.815 40.800 0.254 0.000 0.961 760 D HN 0.312 nan 8.370 nan 0.000 0.470 761 I N 0.613 121.293 120.570 0.182 0.000 2.179 761 I HA -0.225 3.942 4.170 -0.005 0.000 0.242 761 I C 2.434 178.624 176.117 0.122 0.000 1.088 761 I CA 0.673 62.053 61.300 0.133 0.000 1.357 761 I CB -0.256 37.810 38.000 0.109 0.000 1.051 761 I HN -0.114 nan 8.210 nan 0.000 0.409 762 V N 1.214 121.219 119.914 0.152 0.000 2.295 762 V HA -0.301 3.816 4.120 -0.005 0.000 0.246 762 V C 2.259 178.414 176.094 0.101 0.000 1.049 762 V CA 2.422 64.804 62.300 0.136 0.000 1.024 762 V CB -1.002 30.918 31.823 0.161 0.000 0.648 762 V HN 0.489 nan 8.190 nan 0.000 0.447 763 N N -0.039 118.753 118.700 0.153 0.000 2.104 763 N HA -0.221 4.516 4.740 -0.005 0.000 0.190 763 N C 1.856 177.500 175.510 0.223 0.000 1.024 763 N CA 1.872 55.058 53.050 0.227 0.000 0.853 763 N CB -0.296 38.344 38.487 0.255 0.000 1.008 763 N HN 0.338 nan 8.380 nan 0.000 0.424 764 M N 0.216 119.931 119.600 0.191 0.000 2.086 764 M HA -0.097 4.380 4.480 -0.005 0.000 0.261 764 M C 1.757 178.073 176.300 0.028 0.000 1.067 764 M CA 1.352 56.761 55.300 0.182 0.000 1.116 764 M CB -0.687 32.008 32.600 0.158 0.000 1.348 764 M HN 0.294 nan 8.290 nan 0.000 0.407 765 L N -0.138 121.045 121.223 -0.066 0.000 2.046 765 L HA -0.260 4.077 4.340 -0.005 0.000 0.208 765 L C 2.580 179.146 176.870 -0.507 0.000 1.077 765 L CA 1.031 55.684 54.840 -0.313 0.000 0.747 765 L CB -0.596 41.304 42.059 -0.265 0.000 0.896 765 L HN 0.318 nan 8.230 nan 0.000 0.432 766 M N -1.489 117.882 119.600 -0.382 0.000 2.288 766 M HA -0.088 4.389 4.480 -0.005 0.000 0.266 766 M C 1.791 177.627 176.300 -0.775 0.000 1.072 766 M CA 1.690 56.626 55.300 -0.607 0.000 1.132 766 M CB -0.752 31.373 32.600 -0.791 0.000 1.386 766 M HN 0.340 nan 8.290 nan 0.000 0.432 767 H N -2.998 115.930 119.070 -0.237 0.000 3.400 767 H HA 0.234 4.787 4.556 -0.005 0.000 0.251 767 H C 0.249 175.199 175.328 -0.630 0.000 1.040 767 H CA 0.424 56.192 56.048 -0.467 0.000 1.175 767 H CB 0.400 29.783 29.762 -0.632 0.000 1.487 767 H HN 0.508 nan 8.280 nan 0.000 0.505 768 H N 0.124 119.249 119.070 0.093 0.000 2.750 768 H HA 0.132 4.685 4.556 -0.005 0.000 0.239 768 H C -0.573 174.780 175.328 0.041 0.000 1.210 768 H CA -0.299 55.793 56.048 0.073 0.000 0.936 768 H CB 0.974 30.783 29.762 0.079 0.000 2.074 768 H HN -0.013 nan 8.280 nan 0.000 0.622 769 D N 1.154 121.614 120.400 0.099 0.000 2.374 769 D HA 0.079 4.716 4.640 -0.005 0.000 0.240 769 D C 1.019 177.279 176.300 -0.067 0.000 1.229 769 D CA -0.117 53.913 54.000 0.050 0.000 0.895 769 D CB 0.569 41.381 40.800 0.021 0.000 1.046 769 D HN 0.294 nan 8.370 nan 0.000 0.498 770 R N 2.320 122.679 120.500 -0.235 0.000 2.237 770 R HA -0.054 4.283 4.340 -0.005 0.000 0.219 770 R C 0.545 176.352 176.300 -0.821 0.000 1.080 770 R CA 0.874 56.605 56.100 -0.614 0.000 0.995 770 R CB 0.131 29.828 30.300 -1.004 0.000 0.875 770 R HN 0.423 nan 8.270 nan 0.000 0.462 771 F N -0.024 119.881 119.950 -0.075 0.000 2.683 771 F HA 0.276 4.800 4.527 -0.005 0.000 0.306 771 F C 0.025 175.701 175.800 -0.207 0.000 1.102 771 F CA -0.689 57.257 58.000 -0.090 0.000 1.244 771 F CB 0.326 39.341 39.000 0.024 0.000 1.029 771 F HN -0.265 nan 8.300 nan 0.000 0.545 772 K N -0.196 120.003 120.400 -0.334 0.000 3.257 772 K HA -0.172 4.144 4.320 -0.005 0.000 0.270 772 K C 0.971 177.442 176.600 -0.215 0.000 0.984 772 K CA 0.182 56.069 56.287 -0.666 0.000 0.739 772 K CB -1.782 30.266 32.500 -0.753 0.000 1.351 772 K HN 0.207 nan 8.250 nan 0.000 0.463 773 V N 0.011 119.892 119.914 -0.056 0.000 2.287 773 V HA -0.287 3.830 4.120 -0.005 0.000 0.248 773 V C 1.937 178.185 176.094 0.256 0.000 1.053 773 V CA 2.316 64.672 62.300 0.093 0.000 1.027 773 V CB -0.480 31.408 31.823 0.108 0.000 0.646 773 V HN 0.506 nan 8.190 nan 0.000 0.447 774 F N 0.226 120.195 119.950 0.033 0.000 2.202 774 F HA -0.206 4.318 4.527 -0.005 0.000 0.301 774 F C 2.484 178.116 175.800 -0.281 0.000 1.082 774 F CA 0.656 58.632 58.000 -0.040 0.000 1.313 774 F CB -0.348 38.648 39.000 -0.006 0.000 1.024 774 F HN 0.208 nan 8.300 nan 0.000 0.495 775 A N -0.693 121.978 122.820 -0.249 0.000 2.067 775 A HA -0.171 4.146 4.320 -0.005 0.000 0.219 775 A C 1.346 178.927 177.584 -0.005 0.000 1.158 775 A CA 1.701 53.484 52.037 -0.423 0.000 0.661 775 A CB -0.378 18.483 19.000 -0.232 0.000 0.801 775 A HN 0.222 nan 8.150 nan 0.000 0.452 776 D N -2.903 117.559 120.400 0.104 0.000 2.433 776 D HA 0.109 4.745 4.640 -0.005 0.000 0.211 776 D C 1.045 177.518 176.300 0.288 0.000 1.114 776 D CA -0.141 53.993 54.000 0.224 0.000 0.837 776 D CB -0.095 40.848 40.800 0.238 0.000 0.984 776 D HN 0.567 nan 8.370 nan 0.000 0.505 777 Y N 2.089 122.482 120.300 0.154 0.000 2.097 777 Y HA -0.204 4.343 4.550 -0.005 0.000 0.282 777 Y C 2.026 178.013 175.900 0.144 0.000 1.152 777 Y CA 1.876 60.075 58.100 0.164 0.000 1.136 777 Y CB 0.269 38.795 38.460 0.110 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.498 778 E N -0.052 120.228 120.200 0.134 0.000 2.031 778 E HA -0.221 4.126 4.350 -0.005 0.000 0.193 778 E C 2.142 178.723 176.600 -0.033 0.000 0.994 778 E CA 1.435 57.840 56.400 0.008 0.000 0.800 778 E CB -0.180 29.612 29.700 0.154 0.000 0.752 778 E HN 0.613 nan 8.360 nan 0.000 0.447 779 E N 0.042 120.295 120.200 0.088 0.000 2.153 779 E HA -0.201 4.146 4.350 -0.005 0.000 0.194 779 E C 1.939 178.536 176.600 -0.004 0.000 0.988 779 E CA 0.783 57.255 56.400 0.119 0.000 0.811 779 E CB -0.155 29.706 29.700 0.268 0.000 0.746 779 E HN 0.282 nan 8.360 nan 0.000 0.466 780 Y N 1.492 121.609 120.300 -0.306 0.000 2.163 780 Y HA -0.215 4.332 4.550 -0.005 0.000 0.288 780 Y C 2.218 177.724 175.900 -0.657 0.000 1.136 780 Y CA 0.944 58.542 58.100 -0.837 0.000 1.147 780 Y CB -0.514 37.523 38.460 -0.706 0.000 0.987 780 Y HN -0.221 nan 8.280 nan 0.000 0.509 781 V N 0.628 120.191 119.914 -0.586 0.000 2.295 781 V HA -0.327 3.790 4.120 -0.005 0.000 0.246 781 V C 2.284 178.155 176.094 -0.372 0.000 1.049 781 V CA 2.396 64.369 62.300 -0.546 0.000 1.024 781 V CB -0.625 30.906 31.823 -0.486 0.000 0.648 781 V HN 0.305 nan 8.190 nan 0.000 0.447 782 K N -0.823 119.426 120.400 -0.250 0.000 2.057 782 K HA -0.214 4.103 4.320 -0.005 0.000 0.207 782 K C 2.296 178.817 176.600 -0.131 0.000 1.049 782 K CA 1.750 57.956 56.287 -0.135 0.000 0.931 782 K CB -0.636 31.831 32.500 -0.055 0.000 0.714 782 K HN 0.530 nan 8.250 nan 0.000 0.440 783 C N 1.379 120.575 119.300 -0.173 0.000 2.425 783 C HA -0.091 4.366 4.460 -0.005 0.000 0.277 783 C C 2.599 177.446 174.990 -0.240 0.000 1.280 783 C CA 0.797 59.751 59.018 -0.107 0.000 1.744 783 C CB -0.642 27.051 27.740 -0.078 0.000 1.989 783 C HN 0.428 nan 8.230 nan 0.000 0.491 784 Q N 0.404 119.906 119.800 -0.496 0.000 2.167 784 Q HA -0.156 4.181 4.340 -0.005 0.000 0.202 784 Q C 1.990 177.814 176.000 -0.292 0.000 0.970 784 Q CA 1.501 56.970 55.803 -0.558 0.000 0.855 784 Q CB -0.358 27.774 28.738 -1.010 0.000 0.911 784 Q HN 0.759 nan 8.270 nan 0.000 0.438 785 E N 0.301 120.385 120.200 -0.194 0.000 2.077 785 E HA -0.150 4.197 4.350 -0.005 0.000 0.193 785 E C 2.058 178.639 176.600 -0.031 0.000 0.989 785 E CA 0.702 57.048 56.400 -0.089 0.000 0.800 785 E CB -0.012 29.652 29.700 -0.061 0.000 0.746 785 E HN 0.271 nan 8.360 nan 0.000 0.452 786 R N 0.462 120.965 120.500 0.005 0.000 2.115 786 R HA -0.075 4.262 4.340 -0.005 0.000 0.230 786 R C 2.420 178.825 176.300 0.174 0.000 1.111 786 R CA 0.837 57.024 56.100 0.144 0.000 0.976 786 R CB -0.384 30.067 30.300 0.250 0.000 0.870 786 R HN 0.073 nan 8.270 nan 0.000 0.445 787 V N 0.866 120.675 119.914 -0.176 0.000 2.255 787 V HA -0.262 3.855 4.120 -0.005 0.000 0.247 787 V C 2.248 178.347 176.094 0.008 0.000 1.051 787 V CA 2.069 64.123 62.300 -0.409 0.000 1.018 787 V CB -0.436 31.000 31.823 -0.646 0.000 0.641 787 V HN 0.286 nan 8.190 nan 0.000 0.445 788 S N -0.032 115.639 115.700 -0.049 0.000 2.368 788 S HA -0.173 4.294 4.470 -0.005 0.000 0.225 788 S C 2.211 176.879 174.600 0.113 0.000 1.030 788 S CA 1.380 59.577 58.200 -0.005 0.000 0.999 788 S CB -0.525 62.641 63.200 -0.058 0.000 0.844 788 S HN 0.656 nan 8.310 nan 0.000 0.459 789 A N 1.230 124.124 122.820 0.124 0.000 1.908 789 A HA -0.089 4.228 4.320 -0.005 0.000 0.218 789 A C 2.121 179.831 177.584 0.212 0.000 1.181 789 A CA 1.476 53.605 52.037 0.153 0.000 0.627 789 A CB -0.700 18.380 19.000 0.133 0.000 0.818 789 A HN 0.425 nan 8.150 nan 0.000 0.445 790 L N -2.106 119.309 121.223 0.319 0.000 2.109 790 L HA -0.060 4.277 4.340 -0.005 0.000 0.207 790 L C 2.247 179.394 176.870 0.462 0.000 1.086 790 L CA 1.883 56.976 54.840 0.422 0.000 0.760 790 L CB -0.786 41.629 42.059 0.592 0.000 0.910 790 L HN 0.500 nan 8.230 nan 0.000 0.437 791 Y N 0.364 120.807 120.300 0.239 0.000 2.333 791 Y HA -0.243 4.305 4.550 -0.004 0.000 0.290 791 Y C 2.276 178.120 175.900 -0.092 0.000 1.144 791 Y CA 1.651 59.637 58.100 -0.190 0.000 1.228 791 Y CB -0.078 38.045 38.460 -0.561 0.000 0.985 791 Y HN 0.182 nan 8.280 nan 0.000 0.542 792 K N -0.210 120.264 120.400 0.124 0.000 2.360 792 K HA -0.149 4.168 4.320 -0.005 0.000 0.201 792 K C 0.377 176.983 176.600 0.011 0.000 1.046 792 K CA 0.782 57.121 56.287 0.085 0.000 0.945 792 K CB -0.127 32.453 32.500 0.133 0.000 0.750 792 K HN 0.077 nan 8.250 nan 0.000 0.464 793 N N 0.580 119.298 118.700 0.029 0.000 2.800 793 N HA 0.130 4.867 4.740 -0.005 0.000 0.240 793 N C -2.422 173.096 175.510 0.012 0.000 1.096 793 N CA -2.177 50.889 53.050 0.026 0.000 0.877 793 N CB 1.281 39.811 38.487 0.072 0.000 1.138 793 N HN -0.199 nan 8.380 nan 0.000 0.509 794 P HA -0.163 nan 4.420 nan 0.000 0.216 794 P C 1.401 178.708 177.300 0.012 0.000 1.153 794 P CA 1.125 64.159 63.100 -0.110 0.000 0.858 794 P CB 0.415 32.026 31.700 -0.148 0.000 0.789 795 R N 0.046 120.554 120.500 0.013 0.000 2.073 795 R HA -0.165 4.172 4.340 -0.005 0.000 0.234 795 R C 1.970 178.305 176.300 0.058 0.000 1.134 795 R CA 1.514 57.632 56.100 0.029 0.000 0.952 795 R CB -0.410 29.901 30.300 0.018 0.000 0.850 795 R HN 0.056 nan 8.270 nan 0.000 0.433 796 E N -0.020 120.225 120.200 0.074 0.000 2.152 796 E HA -0.210 4.137 4.350 -0.005 0.000 0.192 796 E C 1.559 178.223 176.600 0.107 0.000 0.983 796 E CA 0.651 57.097 56.400 0.077 0.000 0.818 796 E CB -0.489 29.256 29.700 0.076 0.000 0.758 796 E HN 0.509 nan 8.360 nan 0.000 0.467 797 W N 2.151 123.438 121.300 -0.022 0.000 2.333 797 W HA -0.220 4.436 4.660 -0.006 0.000 0.316 797 W C 1.677 178.185 176.519 -0.018 0.000 1.215 797 W CA 2.305 59.645 57.345 -0.009 0.000 1.278 797 W CB -0.503 28.907 29.460 -0.083 0.000 1.154 797 W HN 0.052 nan 8.180 nan 0.000 0.486 798 T N 1.123 115.790 114.554 0.188 0.000 2.788 798 T HA -0.189 4.158 4.350 -0.005 0.000 0.268 798 T C 1.863 176.559 174.700 -0.006 0.000 1.044 798 T CA 1.747 63.892 62.100 0.076 0.000 1.139 798 T CB -0.342 68.561 68.868 0.059 0.000 0.867 798 T HN 0.186 nan 8.240 nan 0.000 0.454 799 R N 0.373 120.877 120.500 0.007 0.000 2.075 799 R HA 0.098 4.434 4.340 -0.005 0.000 0.232 799 R C 2.526 178.806 176.300 -0.033 0.000 1.126 799 R CA 1.207 57.312 56.100 0.009 0.000 0.963 799 R CB -0.346 29.967 30.300 0.021 0.000 0.858 799 R HN 0.369 nan 8.270 nan 0.000 0.435 800 M N 0.557 120.098 119.600 -0.099 0.000 2.175 800 M HA -0.136 4.341 4.480 -0.005 0.000 0.264 800 M C 1.912 178.095 176.300 -0.194 0.000 1.063 800 M CA 1.331 56.532 55.300 -0.166 0.000 1.119 800 M CB 0.180 32.626 32.600 -0.257 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 0.974 120.751 119.914 -0.228 0.000 2.287 801 V HA -0.317 3.800 4.120 -0.005 0.000 0.248 801 V C 2.220 178.279 176.094 -0.058 0.000 1.053 801 V CA 2.075 64.270 62.300 -0.175 0.000 1.027 801 V CB -0.621 31.120 31.823 -0.136 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.403 120.163 120.570 -0.007 0.000 2.208 802 I HA -0.296 3.871 4.170 -0.005 0.000 0.245 802 I C 2.672 178.839 176.117 0.083 0.000 1.097 802 I CA 1.709 63.065 61.300 0.093 0.000 1.363 802 I CB -0.456 37.653 38.000 0.183 0.000 1.051 802 I HN 0.232 nan 8.210 nan 0.000 0.413 803 R N 0.417 120.938 120.500 0.035 0.000 2.148 803 R HA -0.100 4.237 4.340 -0.005 0.000 0.227 803 R C 2.007 178.338 176.300 0.052 0.000 1.103 803 R CA 1.058 57.180 56.100 0.037 0.000 0.983 803 R CB -0.398 29.908 30.300 0.010 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.615 119.327 118.700 0.020 0.000 2.148 804 N HA -0.044 4.693 4.740 -0.005 0.000 0.186 804 N C 1.933 177.496 175.510 0.088 0.000 1.031 804 N CA 0.998 54.076 53.050 0.047 0.000 0.848 804 N CB 0.025 38.466 38.487 -0.077 0.000 1.005 804 N HN 0.096 nan 8.380 nan 0.000 0.427 805 I N 1.762 122.371 120.570 0.065 0.000 2.163 805 I HA -0.254 3.913 4.170 -0.005 0.000 0.243 805 I C 2.446 178.620 176.117 0.094 0.000 1.085 805 I CA 1.016 62.365 61.300 0.083 0.000 1.347 805 I CB -0.329 37.716 38.000 0.075 0.000 1.044 805 I HN 0.091 nan 8.210 nan 0.000 0.408 806 A N 0.222 123.098 122.820 0.094 0.000 2.070 806 A HA -0.176 4.141 4.320 -0.005 0.000 0.220 806 A C 2.085 179.714 177.584 0.076 0.000 1.159 806 A CA 2.133 54.216 52.037 0.077 0.000 0.656 806 A CB -0.875 18.171 19.000 0.077 0.000 0.800 806 A HN 0.554 nan 8.150 nan 0.000 0.453 807 T N -3.268 111.350 114.554 0.107 0.000 3.132 807 T HA 0.178 4.525 4.350 -0.005 0.000 0.274 807 T C 1.201 176.016 174.700 0.193 0.000 1.011 807 T CA 0.652 62.824 62.100 0.121 0.000 0.899 807 T CB -0.179 68.765 68.868 0.127 0.000 1.089 807 T HN 0.496 nan 8.240 nan 0.000 0.543 808 S N 0.375 116.202 115.700 0.212 0.000 2.562 808 S HA 0.214 4.681 4.470 -0.005 0.000 0.221 808 S C 2.218 176.977 174.600 0.265 0.000 0.975 808 S CA 0.365 58.765 58.200 0.334 0.000 0.918 808 S CB -0.753 62.599 63.200 0.252 0.000 0.772 808 S HN 0.535 nan 8.310 nan 0.000 0.531 809 G N 2.711 111.578 108.800 0.113 0.000 2.469 809 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.219 809 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.219 809 G C 1.317 176.177 174.900 -0.067 0.000 1.150 809 G CA 1.082 46.207 45.100 0.041 0.000 0.763 809 G HN 0.620 nan 8.290 nan 0.000 0.561 810 K N -0.150 120.087 120.400 -0.270 0.000 2.218 810 K HA -0.079 4.238 4.320 -0.005 0.000 0.205 810 K C 1.256 177.519 176.600 -0.562 0.000 1.046 810 K CA 0.981 56.946 56.287 -0.536 0.000 0.933 810 K CB -0.284 31.683 32.500 -0.889 0.000 0.728 810 K HN 0.424 nan 8.250 nan 0.000 0.454 811 F N 0.748 120.732 119.950 0.057 0.000 2.645 811 F HA 0.166 4.690 4.527 -0.006 0.000 0.300 811 F C 0.737 176.587 175.800 0.083 0.000 1.115 811 F CA -0.645 57.395 58.000 0.067 0.000 1.355 811 F CB 0.440 39.476 39.000 0.061 0.000 1.026 811 F HN -0.130 nan 8.300 nan 0.000 0.536 812 S N 0.480 116.270 115.700 0.150 0.000 2.549 812 S HA 0.037 4.504 4.470 -0.005 0.000 0.279 812 S C 1.508 176.195 174.600 0.145 0.000 1.321 812 S CA -0.050 58.234 58.200 0.140 0.000 1.054 812 S CB 0.731 63.984 63.200 0.088 0.000 0.899 812 S HN 0.393 nan 8.310 nan 0.000 0.497 813 S N 3.320 119.132 115.700 0.186 0.000 2.474 813 S HA -0.085 4.382 4.470 -0.005 0.000 0.235 813 S C 0.997 175.662 174.600 0.108 0.000 0.997 813 S CA 0.785 59.118 58.200 0.222 0.000 0.949 813 S CB -0.362 63.041 63.200 0.338 0.000 0.766 813 S HN 0.793 nan 8.310 nan 0.000 0.517 814 D N 1.967 122.413 120.400 0.076 0.000 2.117 814 D HA -0.100 4.537 4.640 -0.005 0.000 0.197 814 D C 2.098 178.405 176.300 0.012 0.000 0.987 814 D CA 0.873 54.893 54.000 0.033 0.000 0.829 814 D CB -0.365 40.453 40.800 0.030 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.460 815 R N 0.748 121.257 120.500 0.015 0.000 2.073 815 R HA -0.100 4.237 4.340 -0.005 0.000 0.234 815 R C 1.947 178.236 176.300 -0.018 0.000 1.134 815 R CA 1.531 57.623 56.100 -0.013 0.000 0.952 815 R CB -0.820 29.459 30.300 -0.035 0.000 0.850 815 R HN 0.145 nan 8.270 nan 0.000 0.433 816 T N 2.257 116.825 114.554 0.023 0.000 2.635 816 T HA -0.143 4.204 4.350 -0.005 0.000 0.267 816 T C 1.947 176.638 174.700 -0.015 0.000 1.040 816 T CA 1.475 63.603 62.100 0.047 0.000 1.156 816 T CB -0.169 68.821 68.868 0.204 0.000 0.863 816 T HN 0.112 nan 8.240 nan 0.000 0.430 817 I N 1.672 122.166 120.570 -0.127 0.000 2.286 817 I HA -0.106 4.061 4.170 -0.005 0.000 0.248 817 I C 2.924 178.989 176.117 -0.088 0.000 1.115 817 I CA 0.986 62.169 61.300 -0.195 0.000 1.392 817 I CB -1.622 36.254 38.000 -0.205 0.000 1.065 817 I HN 0.204 nan 8.210 nan 0.000 0.418 818 A N 0.133 122.922 122.820 -0.051 0.000 1.940 818 A HA -0.244 4.073 4.320 -0.005 0.000 0.219 818 A C 2.254 179.791 177.584 -0.080 0.000 1.176 818 A CA 1.478 53.494 52.037 -0.036 0.000 0.631 818 A CB -0.550 18.436 19.000 -0.022 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.832 117.897 119.800 -0.119 0.000 2.046 819 Q HA -0.176 4.161 4.340 -0.005 0.000 0.200 819 Q C 1.967 177.779 176.000 -0.312 0.000 0.975 819 Q CA 1.666 57.355 55.803 -0.189 0.000 0.836 819 Q CB -0.324 28.290 28.738 -0.207 0.000 0.896 819 Q HN 0.813 nan 8.270 nan 0.000 0.428 820 Y N 0.604 120.606 120.300 -0.497 0.000 2.114 820 Y HA -0.315 4.232 4.550 -0.005 0.000 0.282 820 Y C 2.466 177.779 175.900 -0.979 0.000 1.165 820 Y CA 1.431 58.971 58.100 -0.933 0.000 1.148 820 Y CB -0.491 37.106 38.460 -1.438 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.138 122.729 122.820 -0.382 0.000 1.877 821 A HA -0.212 4.105 4.320 -0.005 0.000 0.216 821 A C 2.232 179.838 177.584 0.037 0.000 1.186 821 A CA 2.016 54.087 52.037 0.057 0.000 0.620 821 A CB -0.529 18.579 19.000 0.180 0.000 0.822 821 A HN 0.443 nan 8.150 nan 0.000 0.443 822 R N -0.768 119.709 120.500 -0.039 0.000 2.100 822 R HA 0.008 4.345 4.340 -0.005 0.000 0.220 822 R C 1.837 178.116 176.300 -0.035 0.000 1.091 822 R CA 1.381 57.471 56.100 -0.017 0.000 0.986 822 R CB -0.134 30.150 30.300 -0.027 0.000 0.888 822 R HN 0.639 nan 8.270 nan 0.000 0.444 823 E N -0.388 119.749 120.200 -0.105 0.000 2.364 823 E HA 0.091 4.438 4.350 -0.005 0.000 0.196 823 E C 1.414 177.969 176.600 -0.075 0.000 0.990 823 E CA 0.495 56.836 56.400 -0.097 0.000 0.886 823 E CB 0.532 30.143 29.700 -0.148 0.000 0.866 823 E HN 0.277 nan 8.360 nan 0.000 0.493 824 I N -1.185 119.309 120.570 -0.127 0.000 3.739 824 I HA 0.016 4.183 4.170 -0.005 0.000 0.272 824 I C 1.354 177.618 176.117 0.245 0.000 1.167 824 I CA -0.097 61.195 61.300 -0.013 0.000 1.386 824 I CB 0.187 38.055 38.000 -0.220 0.000 1.490 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.573 122.969 121.300 0.159 0.000 2.584 825 W HA 0.275 4.932 4.660 -0.005 0.000 0.264 825 W C 1.576 178.139 176.519 0.073 0.000 1.264 825 W CA 0.944 58.367 57.345 0.131 0.000 1.306 825 W CB -1.166 28.359 29.460 0.109 0.000 1.110 825 W HN 0.341 nan 8.180 nan 0.000 0.606 826 G N 0.970 109.916 108.800 0.242 0.000 2.225 826 G HA2 -0.129 3.828 3.960 -0.005 0.000 0.264 826 G HA3 -0.129 3.828 3.960 -0.005 0.000 0.264 826 G C -0.264 174.714 174.900 0.130 0.000 1.060 826 G CA 0.252 45.435 45.100 0.139 0.000 0.833 826 G HN 0.414 nan 8.290 nan 0.000 0.498 827 V N -3.282 116.731 119.914 0.166 0.000 2.823 827 V HA 0.912 5.029 4.120 -0.005 0.000 0.312 827 V C -0.229 175.929 176.094 0.107 0.000 1.072 827 V CA -1.465 60.912 62.300 0.128 0.000 0.937 827 V CB 2.235 34.140 31.823 0.137 0.000 1.013 827 V HN 0.397 nan 8.190 nan 0.000 0.430 828 E N 5.355 125.600 120.200 0.076 0.000 2.115 828 E HA 0.578 4.925 4.350 -0.005 0.000 0.282 828 E C -2.366 174.274 176.600 0.066 0.000 0.987 828 E CA -2.003 54.433 56.400 0.061 0.000 0.797 828 E CB 1.201 30.929 29.700 0.046 0.000 1.086 828 E HN 0.777 nan 8.360 nan 0.000 0.397 829 P HA 0.123 nan 4.420 nan 0.000 0.272 829 P C -0.923 176.409 177.300 0.053 0.000 1.230 829 P CA -0.436 62.701 63.100 0.062 0.000 0.788 829 P CB 1.172 32.904 31.700 0.052 0.000 0.949 830 S N 0.785 116.519 115.700 0.057 0.000 2.603 830 S HA 0.290 4.757 4.470 -0.005 0.000 0.274 830 S C 0.457 175.085 174.600 0.047 0.000 1.168 830 S CA -0.725 57.506 58.200 0.052 0.000 0.963 830 S CB 0.803 64.041 63.200 0.062 0.000 1.078 830 S HN 0.224 nan 8.310 nan 0.000 0.477 831 R N 1.913 122.436 120.500 0.038 0.000 2.320 831 R HA 0.130 4.467 4.340 -0.005 0.000 0.211 831 R C 0.393 176.706 176.300 0.023 0.000 0.931 831 R CA -0.021 56.100 56.100 0.034 0.000 1.071 831 R CB -0.565 29.756 30.300 0.034 0.000 1.025 831 R HN 0.664 nan 8.270 nan 0.000 0.495 832 Q N 1.739 121.552 119.800 0.022 0.000 2.274 832 Q HA -0.006 4.331 4.340 -0.005 0.000 0.280 832 Q C -0.300 175.693 176.000 -0.013 0.000 1.047 832 Q CA 0.305 56.113 55.803 0.008 0.000 0.907 832 Q CB 0.401 29.149 28.738 0.017 0.000 1.171 832 Q HN -0.040 nan 8.270 nan 0.000 0.381 833 R N 3.003 123.487 120.500 -0.027 0.000 2.643 833 R HA 0.205 4.542 4.340 -0.005 0.000 0.270 833 R C -0.726 175.528 176.300 -0.075 0.000 1.061 833 R CA -0.446 55.624 56.100 -0.050 0.000 1.107 833 R CB 0.361 30.633 30.300 -0.048 0.000 0.999 833 R HN 0.569 nan 8.270 nan 0.000 0.460 834 L N 5.777 126.938 121.223 -0.104 0.000 2.379 834 L HA 0.398 4.735 4.340 -0.005 0.000 0.269 834 L C -1.794 175.020 176.870 -0.095 0.000 1.084 834 L CA -1.856 52.897 54.840 -0.145 0.000 0.802 834 L CB 0.783 42.721 42.059 -0.202 0.000 1.175 834 L HN 0.654 nan 8.230 nan 0.000 0.448 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.070 63.100 -0.050 0.000 0.800 835 P CB 0.000 31.677 31.700 -0.039 0.000 0.726