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 2dq6_1_A DATA FIRST_RESID 6 DATA SEQUENCE QAKYRHDYRA PDYQITDIDL TFDLDAQKTV VTAVSQAVRH GASDAPLRLN DATA SEQUENCE GEDLKLVSVH INDEPWTAWK EEEGALVISN LPERFTLKII NEISPAANTA DATA SEQUENCE LEGLYQSGDA LCTQCEAEGF RHITYYLDRP DVLARFTTKI IADKIKYPFL DATA SEQUENCE LSNGNRVAQG ELENGRHWVQ WQDPFPKPCY LFALVAGDFD VLRDTFTTRS DATA SEQUENCE GREVALELYV DRGNLDRAPW AMTSLKNSMK WDEERFGLEY DLDIYMIVAV DATA SEQUENCE DFFNMGAMEN KGLNIFNSKY VLARTDTATD KDYLDIERVI GHEYFHNWTG DATA SEQUENCE NRVTCRDWFQ LSLKEGLTVF RDQEFSSDLG SRAVNRINNV RTMRGLQFAE DATA SEQUENCE DASPMAHPIR PDMVIEMNNF YTLTVYEKGA EVIRMIHTLL GEENFQKGMQ DATA SEQUENCE LYFERHDGSA ATCDDFVQAM EDASNVDLSH FRRWYSQSGT PIVTVKDDYN DATA SEQUENCE PETEQYTLTI SQRTPATPDQ AEKQPLHIPF AIELYDNEGK VIPLQKGGHP DATA SEQUENCE VNSVLNVTQA EQTFVFDNVY FQPVPALLCE FSAPVKLEYK WSDQQLTFLM DATA SEQUENCE RHARNDFSRW DAAQSLLATY IKLNVARHQQ GQPLSLPVHV ADAFRAVLLD DATA SEQUENCE EKIDPALAAE ILTLPSVNEM AELFDIIDPI AIAEVREALT RTLATELADE DATA SEQUENCE LLAIYNANYQ SEYRVEHEDI AKRTLRNACL RFLAFGETHL ADVLVSKQFH DATA SEQUENCE EANNMTDALA ALSAAVAAQL PCRDALMQEY DDKWHQNGLV MDKWFILQAT DATA SEQUENCE SPAANVLETV RGLLQHRSFT MSNPNRIRSL IGAFAGSNPA AFHAEDGSGY DATA SEQUENCE LFLVEMLTDL NSRNPQVASR LIEPLIRLKR YDAKRQEKMR AALEQLKGLE DATA SEQUENCE NLSGDLYEKI TKALA 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 176.060 176.000 0.100 0.000 1.003 6 Q CA 0.000 55.866 55.803 0.105 0.000 1.022 6 Q CB 0.000 28.785 28.738 0.078 0.000 1.108 7 A N 1.514 124.392 122.820 0.096 0.000 2.371 7 A HA 0.507 4.827 4.320 0.001 0.000 0.257 7 A C -0.411 177.114 177.584 -0.098 0.000 1.089 7 A CA 0.144 52.158 52.037 -0.038 0.000 0.794 7 A CB 0.506 19.424 19.000 -0.136 0.000 1.029 7 A HN 0.200 nan 8.150 nan 0.000 0.488 8 K N 0.683 120.985 120.400 -0.162 0.000 2.203 8 K HA 0.531 4.851 4.320 0.001 0.000 0.251 8 K C -1.751 174.730 176.600 -0.198 0.000 0.944 8 K CA -0.230 56.053 56.287 -0.006 0.000 0.829 8 K CB 1.657 34.259 32.500 0.170 0.000 1.125 8 K HN 0.665 nan 8.250 nan 0.000 0.430 9 Y N 0.542 120.831 120.300 -0.018 0.000 2.393 9 Y HA 0.270 4.821 4.550 0.001 0.000 0.341 9 Y C 1.359 176.749 175.900 -0.850 0.000 0.988 9 Y CA -0.835 56.983 58.100 -0.470 0.000 1.078 9 Y CB 1.706 39.696 38.460 -0.785 0.000 1.203 9 Y HN 0.573 nan 8.280 nan 0.000 0.453 10 R N 0.719 120.415 120.500 -1.341 0.000 2.105 10 R HA -0.218 4.122 4.340 0.001 0.000 0.239 10 R C 1.356 177.419 176.300 -0.394 0.000 1.135 10 R CA 2.282 57.604 56.100 -1.295 0.000 0.967 10 R CB -0.233 29.462 30.300 -1.008 0.000 0.861 10 R HN 0.989 nan 8.270 nan 0.000 0.442 11 H N -1.446 117.536 119.070 -0.147 0.000 2.561 11 H HA 0.073 4.630 4.556 0.001 0.000 0.278 11 H C 0.513 175.854 175.328 0.022 0.000 1.014 11 H CA 0.855 56.883 56.048 -0.034 0.000 1.211 11 H CB -0.120 29.623 29.762 -0.031 0.000 1.365 11 H HN 0.198 nan 8.280 nan 0.000 0.594 12 D N -0.223 120.246 120.400 0.114 0.000 2.340 12 D HA -0.030 4.611 4.640 0.001 0.000 0.217 12 D C -0.248 176.130 176.300 0.130 0.000 1.081 12 D CA -0.173 53.926 54.000 0.166 0.000 0.842 12 D CB -0.481 40.411 40.800 0.154 0.000 0.934 12 D HN 0.426 nan 8.370 nan 0.000 0.511 13 Y N 2.379 122.713 120.300 0.057 0.000 2.717 13 Y HA -0.000 4.550 4.550 0.001 0.000 0.330 13 Y C 0.314 176.253 175.900 0.065 0.000 1.217 13 Y CA 0.290 58.434 58.100 0.074 0.000 1.506 13 Y CB 0.331 38.828 38.460 0.061 0.000 1.268 13 Y HN -0.219 nan 8.280 nan 0.000 0.561 14 R N 4.867 124.809 120.500 -0.931 0.000 2.604 14 R HA 0.679 5.020 4.340 0.001 0.000 0.281 14 R C -1.196 174.614 176.300 -0.816 0.000 1.020 14 R CA -0.597 55.120 56.100 -0.638 0.000 0.899 14 R CB 1.188 31.339 30.300 -0.248 0.000 1.205 14 R HN 0.882 nan 8.270 nan 0.000 0.450 15 A N 5.122 127.661 122.820 -0.469 0.000 2.520 15 A HA 0.254 4.575 4.320 0.001 0.000 0.235 15 A C -1.993 175.497 177.584 -0.157 0.000 1.065 15 A CA -0.769 51.138 52.037 -0.218 0.000 0.764 15 A CB -0.313 18.657 19.000 -0.049 0.000 1.002 15 A HN 0.573 nan 8.150 nan 0.000 0.502 16 P HA 0.099 nan 4.420 nan 0.000 0.271 16 P C -0.378 176.915 177.300 -0.011 0.000 1.216 16 P CA -0.177 62.903 63.100 -0.033 0.000 0.776 16 P CB 0.782 32.477 31.700 -0.008 0.000 0.881 17 D N 0.721 121.144 120.400 0.038 0.000 2.224 17 D HA -0.055 4.586 4.640 0.001 0.000 0.205 17 D C 0.098 176.305 176.300 -0.155 0.000 0.965 17 D CA 1.715 55.700 54.000 -0.025 0.000 0.852 17 D CB -0.078 40.752 40.800 0.051 0.000 0.947 17 D HN 0.445 nan 8.370 nan 0.000 0.494 18 Y N -0.301 120.034 120.300 0.059 0.000 2.512 18 Y HA 0.378 4.928 4.550 0.001 0.000 0.348 18 Y C 0.289 176.198 175.900 0.015 0.000 0.990 18 Y CA -0.967 57.178 58.100 0.075 0.000 1.033 18 Y CB 1.660 40.150 38.460 0.051 0.000 1.259 18 Y HN -0.378 nan 8.280 nan 0.000 0.461 19 Q N 2.226 122.147 119.800 0.202 0.000 2.348 19 Q HA 0.596 4.936 4.340 0.001 0.000 0.271 19 Q C -1.241 174.765 176.000 0.011 0.000 1.067 19 Q CA -0.781 55.057 55.803 0.057 0.000 0.839 19 Q CB 3.233 31.992 28.738 0.034 0.000 1.354 19 Q HN 0.713 nan 8.270 nan 0.000 0.447 20 I N 1.288 121.830 120.570 -0.047 0.000 2.410 20 I HA 0.159 4.330 4.170 0.001 0.000 0.286 20 I C 1.207 177.309 176.117 -0.024 0.000 1.009 20 I CA -0.148 61.105 61.300 -0.078 0.000 1.111 20 I CB 1.991 39.910 38.000 -0.135 0.000 1.262 20 I HN 0.714 nan 8.210 nan 0.000 0.443 21 T N 0.169 114.703 114.554 -0.033 0.000 3.035 21 T HA 0.189 4.539 4.350 0.001 0.000 0.259 21 T C 0.198 174.887 174.700 -0.018 0.000 1.078 21 T CA 0.456 62.550 62.100 -0.009 0.000 1.132 21 T CB -0.074 68.788 68.868 -0.011 0.000 0.900 21 T HN 0.503 nan 8.240 nan 0.000 0.480 22 D N -0.200 120.168 120.400 -0.054 0.000 2.859 22 D HA 0.642 5.283 4.640 0.001 0.000 0.223 22 D C -1.690 174.529 176.300 -0.135 0.000 1.218 22 D CA -0.498 53.455 54.000 -0.078 0.000 0.850 22 D CB 2.546 43.314 40.800 -0.054 0.000 1.656 22 D HN 0.315 nan 8.370 nan 0.000 0.484 23 I N 0.960 121.389 120.570 -0.236 0.000 2.607 23 I HA 0.356 4.526 4.170 0.001 0.000 0.290 23 I C -1.678 174.309 176.117 -0.218 0.000 1.129 23 I CA -0.616 60.513 61.300 -0.285 0.000 1.042 23 I CB 1.560 39.242 38.000 -0.531 0.000 1.242 23 I HN 0.217 nan 8.210 nan 0.000 0.421 24 D N 8.690 129.019 120.400 -0.119 0.000 2.414 24 D HA 0.465 5.105 4.640 0.001 0.000 0.232 24 D C -0.671 175.601 176.300 -0.048 0.000 1.070 24 D CA 0.029 54.003 54.000 -0.044 0.000 0.839 24 D CB 2.191 42.973 40.800 -0.030 0.000 1.079 24 D HN 0.384 nan 8.370 nan 0.000 0.521 25 L N 1.409 122.643 121.223 0.019 0.000 2.325 25 L HA 0.517 4.858 4.340 0.001 0.000 0.278 25 L C 0.302 177.201 176.870 0.047 0.000 1.023 25 L CA -0.397 54.435 54.840 -0.012 0.000 0.811 25 L CB 1.876 43.994 42.059 0.098 0.000 1.249 25 L HN 0.135 nan 8.230 nan 0.000 0.431 26 T N 2.090 116.578 114.554 -0.109 0.000 2.879 26 T HA 0.547 4.897 4.350 0.001 0.000 0.290 26 T C -0.952 173.658 174.700 -0.149 0.000 0.993 26 T CA -0.348 61.739 62.100 -0.022 0.000 0.975 26 T CB 0.808 69.634 68.868 -0.070 0.000 0.981 26 T HN 0.079 nan 8.240 nan 0.000 0.439 27 F N 2.210 122.182 119.950 0.037 0.000 2.427 27 F HA 0.359 4.886 4.527 0.001 0.000 0.348 27 F C 0.407 176.216 175.800 0.015 0.000 1.125 27 F CA -1.159 56.855 58.000 0.024 0.000 0.989 27 F CB 1.301 40.331 39.000 0.050 0.000 1.165 27 F HN 0.393 nan 8.300 nan 0.000 0.442 28 D N 5.156 125.636 120.400 0.134 0.000 2.479 28 D HA 0.236 4.877 4.640 0.001 0.000 0.218 28 D C -0.343 176.022 176.300 0.108 0.000 1.131 28 D CA -0.065 53.993 54.000 0.096 0.000 0.916 28 D CB 0.356 41.181 40.800 0.042 0.000 1.022 28 D HN 0.409 nan 8.370 nan 0.000 0.515 29 L N 2.852 124.139 121.223 0.106 0.000 2.416 29 L HA 0.295 4.635 4.340 0.001 0.000 0.272 29 L C 0.227 177.118 176.870 0.036 0.000 1.161 29 L CA 0.169 55.029 54.840 0.033 0.000 0.845 29 L CB 0.709 42.698 42.059 -0.116 0.000 1.119 29 L HN 0.407 nan 8.230 nan 0.000 0.464 30 D N 1.167 121.586 120.400 0.032 0.000 2.812 30 D HA 0.322 4.963 4.640 0.001 0.000 0.210 30 D C 0.237 176.582 176.300 0.076 0.000 1.260 30 D CA -0.156 53.899 54.000 0.092 0.000 0.817 30 D CB 1.374 42.230 40.800 0.092 0.000 1.694 30 D HN 0.449 nan 8.370 nan 0.000 0.530 31 A N 2.384 125.276 122.820 0.120 0.000 1.940 31 A HA -0.198 4.123 4.320 0.001 0.000 0.219 31 A C 1.729 179.352 177.584 0.065 0.000 1.176 31 A CA 1.433 53.526 52.037 0.094 0.000 0.631 31 A CB -0.276 18.798 19.000 0.122 0.000 0.814 31 A HN 0.607 nan 8.150 nan 0.000 0.446 32 Q N -0.980 118.857 119.800 0.063 0.000 2.123 32 Q HA 0.103 4.444 4.340 0.001 0.000 0.196 32 Q C 0.792 176.816 176.000 0.041 0.000 0.958 32 Q CA 1.166 56.996 55.803 0.046 0.000 0.841 32 Q CB 0.044 28.807 28.738 0.042 0.000 0.915 32 Q HN 0.678 nan 8.270 nan 0.000 0.455 33 K N 0.629 121.056 120.400 0.045 0.000 2.668 33 K HA 0.296 4.617 4.320 0.001 0.000 0.246 33 K C -1.405 175.220 176.600 0.042 0.000 0.976 33 K CA 0.043 56.353 56.287 0.037 0.000 0.902 33 K CB 1.378 33.896 32.500 0.031 0.000 1.172 33 K HN -0.178 nan 8.250 nan 0.000 0.452 34 T N 2.823 117.403 114.554 0.044 0.000 2.795 34 T HA 0.318 4.668 4.350 0.001 0.000 0.282 34 T C -0.669 174.047 174.700 0.028 0.000 0.980 34 T CA -0.473 61.662 62.100 0.059 0.000 1.012 34 T CB 1.290 70.220 68.868 0.102 0.000 0.936 34 T HN 0.247 nan 8.240 nan 0.000 0.457 35 V N 4.561 124.483 119.914 0.014 0.000 2.370 35 V HA 0.411 4.531 4.120 0.001 0.000 0.279 35 V C -0.052 175.974 176.094 -0.113 0.000 1.029 35 V CA -0.696 61.580 62.300 -0.040 0.000 0.870 35 V CB 1.484 33.290 31.823 -0.028 0.000 0.984 35 V HN 0.665 nan 8.190 nan 0.000 0.451 36 V N 4.041 123.835 119.914 -0.199 0.000 2.398 36 V HA 0.491 4.611 4.120 0.001 0.000 0.286 36 V C 0.242 176.157 176.094 -0.298 0.000 1.026 36 V CA -0.268 61.792 62.300 -0.399 0.000 0.868 36 V CB 1.895 33.419 31.823 -0.498 0.000 0.982 36 V HN 0.918 nan 8.190 nan 0.000 0.443 37 T N 4.371 118.739 114.554 -0.309 0.000 2.791 37 T HA 0.700 5.050 4.350 0.001 0.000 0.288 37 T C -0.144 174.429 174.700 -0.213 0.000 0.999 37 T CA -0.288 61.692 62.100 -0.201 0.000 0.952 37 T CB 1.411 70.190 68.868 -0.149 0.000 0.938 37 T HN 0.900 nan 8.240 nan 0.000 0.444 38 A N 3.262 125.985 122.820 -0.161 0.000 2.311 38 A HA 0.714 5.034 4.320 0.001 0.000 0.306 38 A C -0.537 177.001 177.584 -0.076 0.000 1.189 38 A CA -0.630 51.328 52.037 -0.131 0.000 0.791 38 A CB 0.868 19.798 19.000 -0.117 0.000 1.172 38 A HN 0.663 nan 8.150 nan 0.000 0.481 39 V N 2.902 122.770 119.914 -0.076 0.000 2.313 39 V HA 0.436 4.556 4.120 0.001 0.000 0.278 39 V C 0.110 176.168 176.094 -0.060 0.000 1.017 39 V CA -0.228 62.037 62.300 -0.058 0.000 0.823 39 V CB 1.027 32.813 31.823 -0.061 0.000 1.010 39 V HN 0.851 nan 8.190 nan 0.000 0.443 40 S N 4.270 119.944 115.700 -0.044 0.000 2.501 40 S HA 0.531 5.001 4.470 0.001 0.000 0.301 40 S C -0.614 173.920 174.600 -0.110 0.000 1.096 40 S CA -0.797 57.368 58.200 -0.058 0.000 1.063 40 S CB 1.682 64.880 63.200 -0.003 0.000 1.042 40 S HN 0.646 nan 8.310 nan 0.000 0.494 41 Q N 1.918 121.641 119.800 -0.130 0.000 2.360 41 Q HA 0.586 4.926 4.340 0.001 0.000 0.254 41 Q C -0.415 175.433 176.000 -0.253 0.000 0.975 41 Q CA -0.260 55.436 55.803 -0.178 0.000 0.912 41 Q CB 1.292 29.960 28.738 -0.117 0.000 1.212 41 Q HN 0.733 nan 8.270 nan 0.000 0.452 42 A N 2.197 124.722 122.820 -0.492 0.000 2.320 42 A HA 0.813 5.134 4.320 0.001 0.000 0.334 42 A C -0.616 176.680 177.584 -0.479 0.000 1.147 42 A CA -0.588 51.116 52.037 -0.556 0.000 0.820 42 A CB 1.278 19.732 19.000 -0.911 0.000 1.218 42 A HN 0.422 nan 8.150 nan 0.000 0.482 43 V N 1.832 121.645 119.914 -0.168 0.000 2.623 43 V HA 0.420 4.540 4.120 0.001 0.000 0.304 43 V C 0.060 176.165 176.094 0.017 0.000 1.054 43 V CA -0.643 61.607 62.300 -0.083 0.000 0.882 43 V CB 1.595 33.380 31.823 -0.062 0.000 1.002 43 V HN 1.011 nan 8.190 nan 0.000 0.424 44 R N 2.694 123.149 120.500 -0.074 0.000 2.390 44 R HA 0.389 4.729 4.340 0.001 0.000 0.291 44 R C 0.330 176.425 176.300 -0.342 0.000 1.070 44 R CA -0.157 55.737 56.100 -0.343 0.000 1.014 44 R CB 0.486 30.553 30.300 -0.388 0.000 1.007 44 R HN 0.856 nan 8.270 nan 0.000 0.466 45 H N 1.875 120.777 119.070 -0.280 0.000 3.017 45 H HA 0.150 4.706 4.556 0.001 0.000 0.255 45 H C 0.839 176.076 175.328 -0.152 0.000 0.990 45 H CA 0.466 56.421 56.048 -0.155 0.000 1.205 45 H CB 1.300 31.003 29.762 -0.099 0.000 1.460 45 H HN 0.752 nan 8.280 nan 0.000 0.478 46 G N 0.701 109.433 108.800 -0.113 0.000 2.574 46 G HA2 0.437 4.398 3.960 0.001 0.000 0.248 46 G HA3 0.437 4.398 3.960 0.001 0.000 0.248 46 G C -0.196 174.645 174.900 -0.098 0.000 1.422 46 G CA 0.065 45.110 45.100 -0.091 0.000 1.051 46 G HN 0.290 nan 8.290 nan 0.000 0.560 47 A N -0.633 122.153 122.820 -0.058 0.000 2.531 47 A HA 0.386 4.706 4.320 0.001 0.000 0.236 47 A C 1.873 179.435 177.584 -0.036 0.000 1.062 47 A CA 0.764 52.782 52.037 -0.032 0.000 0.760 47 A CB 0.170 19.167 19.000 -0.005 0.000 0.995 47 A HN 1.473 nan 8.150 nan 0.000 0.501 48 S N 0.792 116.482 115.700 -0.017 0.000 2.442 48 S HA -0.172 4.298 4.470 0.001 0.000 0.236 48 S C 0.897 175.522 174.600 0.042 0.000 1.007 48 S CA 1.385 59.587 58.200 0.004 0.000 0.965 48 S CB -0.325 62.881 63.200 0.010 0.000 0.773 48 S HN 0.854 nan 8.310 nan 0.000 0.504 49 D N 1.594 122.019 120.400 0.042 0.000 2.340 49 D HA 0.347 4.987 4.640 0.001 0.000 0.217 49 D C 0.472 176.824 176.300 0.087 0.000 1.081 49 D CA 0.127 54.164 54.000 0.061 0.000 0.842 49 D CB -0.296 40.530 40.800 0.043 0.000 0.934 49 D HN 0.508 nan 8.370 nan 0.000 0.511 50 A N 1.953 124.832 122.820 0.098 0.000 2.401 50 A HA 0.478 4.799 4.320 0.001 0.000 0.259 50 A C -2.126 175.622 177.584 0.273 0.000 1.103 50 A CA -0.977 51.148 52.037 0.148 0.000 0.789 50 A CB 0.181 19.246 19.000 0.109 0.000 1.035 50 A HN 0.136 nan 8.150 nan 0.000 0.491 51 P HA 0.343 nan 4.420 nan 0.000 0.278 51 P C -0.852 176.539 177.300 0.152 0.000 1.258 51 P CA -0.570 62.628 63.100 0.163 0.000 0.811 51 P CB 1.038 32.795 31.700 0.096 0.000 1.063 52 L N 2.544 123.681 121.223 -0.143 0.000 2.281 52 L HA 0.326 4.666 4.340 0.001 0.000 0.285 52 L C 0.110 176.902 176.870 -0.130 0.000 1.074 52 L CA -0.072 54.539 54.840 -0.382 0.000 0.817 52 L CB 0.014 41.652 42.059 -0.701 0.000 1.168 52 L HN 0.244 nan 8.230 nan 0.000 0.434 53 R N 6.395 126.873 120.500 -0.036 0.000 2.239 53 R HA 0.522 4.863 4.340 0.001 0.000 0.332 53 R C -1.183 175.121 176.300 0.006 0.000 0.988 53 R CA -0.542 55.560 56.100 0.003 0.000 0.859 53 R CB 0.827 31.157 30.300 0.050 0.000 1.148 53 R HN 0.625 nan 8.270 nan 0.000 0.482 54 L N 2.927 124.148 121.223 -0.004 0.000 2.309 54 L HA 0.368 4.709 4.340 0.001 0.000 0.282 54 L C 0.150 177.128 176.870 0.180 0.000 1.036 54 L CA -0.964 53.915 54.840 0.065 0.000 0.806 54 L CB 1.184 43.270 42.059 0.044 0.000 1.220 54 L HN 0.480 nan 8.230 nan 0.000 0.429 55 N N 1.988 120.817 118.700 0.215 0.000 2.529 55 N HA 0.551 5.291 4.740 0.001 0.000 0.278 55 N C -0.146 175.505 175.510 0.236 0.000 1.146 55 N CA -0.126 53.053 53.050 0.216 0.000 0.980 55 N CB 2.018 40.615 38.487 0.184 0.000 1.124 55 N HN 0.797 nan 8.380 nan 0.000 0.458 56 G N 0.531 109.405 108.800 0.123 0.000 2.768 56 G HA2 0.350 4.311 3.960 0.001 0.000 0.297 56 G HA3 0.350 4.311 3.960 0.001 0.000 0.297 56 G C -1.428 173.316 174.900 -0.261 0.000 1.430 56 G CA -0.470 44.479 45.100 -0.252 0.000 1.030 56 G HN 0.300 nan 8.290 nan 0.000 0.553 57 E N 1.663 121.600 120.200 -0.438 0.000 2.263 57 E HA 0.320 4.670 4.350 0.001 0.000 0.268 57 E C -0.863 175.522 176.600 -0.359 0.000 0.884 57 E CA -0.619 55.513 56.400 -0.448 0.000 0.766 57 E CB 2.267 31.454 29.700 -0.855 0.000 1.196 57 E HN 0.622 nan 8.360 nan 0.000 0.416 58 D N 2.149 122.438 120.400 -0.184 0.000 2.697 58 D HA -0.186 4.455 4.640 0.001 0.000 0.238 58 D C -1.096 175.132 176.300 -0.120 0.000 1.152 58 D CA 0.818 54.762 54.000 -0.094 0.000 0.666 58 D CB -0.951 39.840 40.800 -0.015 0.000 1.037 58 D HN 0.352 nan 8.370 nan 0.000 0.423 59 L N 0.024 121.141 121.223 -0.176 0.000 2.342 59 L HA 0.458 4.799 4.340 0.001 0.000 0.271 59 L C 0.726 177.540 176.870 -0.092 0.000 1.008 59 L CA -0.983 53.737 54.840 -0.200 0.000 0.818 59 L CB 1.979 43.772 42.059 -0.444 0.000 1.296 59 L HN -0.119 nan 8.230 nan 0.000 0.427 60 K N 2.881 123.246 120.400 -0.059 0.000 2.347 60 K HA 0.345 4.665 4.320 0.001 0.000 0.262 60 K C -0.946 175.656 176.600 0.003 0.000 1.052 60 K CA -0.784 55.499 56.287 -0.006 0.000 0.946 60 K CB 1.024 33.522 32.500 -0.002 0.000 1.220 60 K HN 0.392 nan 8.250 nan 0.000 0.450 61 L N 5.424 126.677 121.223 0.050 0.000 2.462 61 L HA 0.036 4.377 4.340 0.001 0.000 0.272 61 L C 0.332 177.206 176.870 0.007 0.000 1.166 61 L CA 0.575 55.440 54.840 0.041 0.000 0.880 61 L CB 1.327 43.411 42.059 0.042 0.000 1.142 61 L HN 0.593 nan 8.230 nan 0.000 0.473 62 V N 2.701 122.606 119.914 -0.014 0.000 2.690 62 V HA 0.290 4.411 4.120 0.001 0.000 0.240 62 V C 0.588 176.680 176.094 -0.003 0.000 1.078 62 V CA 1.058 63.358 62.300 0.000 0.000 1.102 62 V CB 0.204 32.026 31.823 -0.000 0.000 0.800 62 V HN 0.944 nan 8.190 nan 0.000 0.479 63 S N -1.414 114.264 115.700 -0.037 0.000 2.567 63 S HA 0.692 5.162 4.470 0.001 0.000 0.270 63 S C -1.450 173.077 174.600 -0.122 0.000 1.152 63 S CA -0.632 57.539 58.200 -0.049 0.000 0.835 63 S CB 2.246 65.503 63.200 0.095 0.000 1.115 63 S HN -0.027 nan 8.310 nan 0.000 0.459 64 V N 2.846 122.622 119.914 -0.229 0.000 2.525 64 V HA 0.596 4.716 4.120 0.001 0.000 0.299 64 V C -0.986 174.980 176.094 -0.213 0.000 1.034 64 V CA -0.383 61.768 62.300 -0.248 0.000 0.863 64 V CB 1.473 32.974 31.823 -0.537 0.000 0.999 64 V HN 0.992 nan 8.190 nan 0.000 0.423 65 H N 4.865 123.915 119.070 -0.034 0.000 2.768 65 H HA 0.584 5.141 4.556 0.001 0.000 0.371 65 H C -1.340 173.952 175.328 -0.061 0.000 1.151 65 H CA -0.747 55.318 56.048 0.028 0.000 1.165 65 H CB 3.014 32.790 29.762 0.023 0.000 1.722 65 H HN 0.335 nan 8.280 nan 0.000 0.543 66 I N 2.817 123.414 120.570 0.045 0.000 2.411 66 I HA 0.045 4.215 4.170 0.001 0.000 0.284 66 I C 0.160 176.287 176.117 0.016 0.000 1.012 66 I CA -0.629 60.566 61.300 -0.174 0.000 1.119 66 I CB 0.917 38.409 38.000 -0.847 0.000 1.261 66 I HN 0.680 nan 8.210 nan 0.000 0.448 67 N N 5.073 123.806 118.700 0.055 0.000 2.740 67 N HA -0.212 4.529 4.740 0.001 0.000 0.248 67 N C 0.156 175.719 175.510 0.088 0.000 1.062 67 N CA 1.150 54.243 53.050 0.072 0.000 0.704 67 N CB -0.707 37.827 38.487 0.078 0.000 0.968 67 N HN 0.688 nan 8.380 nan 0.000 0.547 68 D N -2.225 118.232 120.400 0.097 0.000 2.946 68 D HA -0.220 4.420 4.640 0.001 0.000 0.202 68 D C 0.126 176.572 176.300 0.244 0.000 1.068 68 D CA 1.804 55.860 54.000 0.094 0.000 1.011 68 D CB -0.793 40.023 40.800 0.028 0.000 1.105 68 D HN 0.775 nan 8.370 nan 0.000 0.425 69 E N 1.035 121.400 120.200 0.274 0.000 2.167 69 E HA 0.434 4.784 4.350 0.001 0.000 0.284 69 E C -2.705 174.080 176.600 0.308 0.000 1.016 69 E CA -2.054 54.521 56.400 0.291 0.000 0.817 69 E CB 1.122 30.991 29.700 0.281 0.000 1.080 69 E HN -0.135 nan 8.360 nan 0.000 0.397 70 P HA -0.049 nan 4.420 nan 0.000 0.263 70 P C -1.010 176.353 177.300 0.104 0.000 1.195 70 P CA 0.196 63.214 63.100 -0.136 0.000 0.762 70 P CB 0.257 31.912 31.700 -0.075 0.000 0.799 71 W N 3.915 125.150 121.300 -0.108 0.000 2.351 71 W HA 0.132 4.792 4.660 0.001 0.000 0.311 71 W C 0.671 177.319 176.519 0.215 0.000 1.168 71 W CA -0.252 57.121 57.345 0.045 0.000 1.200 71 W CB 1.474 30.957 29.460 0.039 0.000 1.221 71 W HN 0.381 nan 8.180 nan 0.000 0.519 72 T N 0.991 115.337 114.554 -0.347 0.000 3.001 72 T HA 0.184 4.534 4.350 0.001 0.000 0.251 72 T C 0.769 175.191 174.700 -0.462 0.000 1.040 72 T CA 0.097 62.002 62.100 -0.325 0.000 0.985 72 T CB 0.392 69.058 68.868 -0.337 0.000 1.011 72 T HN 0.381 nan 8.240 nan 0.000 0.509 73 A N 2.774 125.234 122.820 -0.600 0.000 3.126 73 A HA 0.571 4.892 4.320 0.001 0.000 0.268 73 A C -0.095 177.602 177.584 0.190 0.000 1.605 73 A CA -1.092 50.781 52.037 -0.273 0.000 1.305 73 A CB -0.934 17.900 19.000 -0.277 0.000 1.160 73 A HN 0.697 nan 8.150 nan 0.000 0.609 74 W N -0.122 121.191 121.300 0.021 0.000 3.074 74 W HA 0.745 5.405 4.660 0.001 0.000 0.332 74 W C -1.612 174.893 176.519 -0.023 0.000 1.253 74 W CA -1.044 56.326 57.345 0.041 0.000 1.180 74 W CB 0.925 30.430 29.460 0.074 0.000 1.445 74 W HN 0.031 nan 8.180 nan 0.000 0.573 75 K N 1.586 122.161 120.400 0.292 0.000 2.542 75 K HA 0.306 4.627 4.320 0.001 0.000 0.259 75 K C -1.085 175.676 176.600 0.267 0.000 0.932 75 K CA -0.765 55.597 56.287 0.125 0.000 0.820 75 K CB 3.069 35.562 32.500 -0.012 0.000 1.345 75 K HN 0.567 nan 8.250 nan 0.000 0.432 76 E N 1.857 122.219 120.200 0.270 0.000 2.216 76 E HA 0.269 4.619 4.350 0.001 0.000 0.279 76 E C -0.581 176.087 176.600 0.114 0.000 0.997 76 E CA -0.264 56.246 56.400 0.185 0.000 0.817 76 E CB 1.479 31.321 29.700 0.237 0.000 1.096 76 E HN 0.349 nan 8.360 nan 0.000 0.393 77 E N 1.261 121.517 120.200 0.094 0.000 2.431 77 E HA 0.137 4.488 4.350 0.001 0.000 0.268 77 E C -1.063 175.587 176.600 0.084 0.000 0.953 77 E CA -1.036 55.409 56.400 0.075 0.000 0.810 77 E CB 1.143 30.880 29.700 0.061 0.000 1.369 77 E HN 0.263 nan 8.360 nan 0.000 0.440 78 E N 0.268 120.508 120.200 0.066 0.000 2.606 78 E HA 0.058 4.409 4.350 0.001 0.000 0.248 78 E C 0.548 177.191 176.600 0.072 0.000 1.005 78 E CA 1.404 57.840 56.400 0.061 0.000 0.946 78 E CB -0.346 29.381 29.700 0.044 0.000 0.928 78 E HN 0.708 nan 8.360 nan 0.000 0.494 79 G N 2.642 111.488 108.800 0.077 0.000 2.168 79 G HA2 -0.112 3.848 3.960 0.001 0.000 0.257 79 G HA3 -0.112 3.848 3.960 0.001 0.000 0.257 79 G C 0.214 175.200 174.900 0.143 0.000 0.997 79 G CA 0.538 45.685 45.100 0.079 0.000 0.708 79 G HN 1.112 nan 8.290 nan 0.000 0.520 80 A N -1.595 121.335 122.820 0.183 0.000 2.610 80 A HA 0.868 5.188 4.320 0.001 0.000 0.291 80 A C -1.361 176.256 177.584 0.056 0.000 1.086 80 A CA -0.236 51.908 52.037 0.178 0.000 0.677 80 A CB 1.636 20.697 19.000 0.102 0.000 1.278 80 A HN 1.616 nan 8.150 nan 0.000 0.414 81 L N 1.299 122.429 121.223 -0.156 0.000 2.372 81 L HA 0.700 5.041 4.340 0.001 0.000 0.273 81 L C -1.353 175.427 176.870 -0.150 0.000 0.989 81 L CA -0.383 54.225 54.840 -0.386 0.000 0.841 81 L CB 1.561 42.946 42.059 -1.122 0.000 1.225 81 L HN 0.450 nan 8.230 nan 0.000 0.414 82 V N 6.820 126.726 119.914 -0.014 0.000 2.350 82 V HA 0.463 4.583 4.120 0.001 0.000 0.276 82 V C 0.222 176.368 176.094 0.087 0.000 1.028 82 V CA -0.331 61.985 62.300 0.027 0.000 0.860 82 V CB 1.158 33.011 31.823 0.051 0.000 0.990 82 V HN 0.596 nan 8.190 nan 0.000 0.453 83 I N 3.997 124.584 120.570 0.030 0.000 2.339 83 I HA 0.454 4.625 4.170 0.001 0.000 0.290 83 I C 0.360 176.525 176.117 0.079 0.000 0.994 83 I CA 0.137 61.487 61.300 0.084 0.000 1.191 83 I CB 1.731 39.665 38.000 -0.111 0.000 1.343 83 I HN 0.541 nan 8.210 nan 0.000 0.458 84 S N 4.386 120.219 115.700 0.221 0.000 2.718 84 S HA 0.370 4.841 4.470 0.001 0.000 0.300 84 S C 0.081 174.848 174.600 0.279 0.000 1.117 84 S CA -0.671 57.639 58.200 0.184 0.000 1.002 84 S CB 1.004 64.280 63.200 0.127 0.000 1.092 84 S HN 0.760 nan 8.310 nan 0.000 0.542 85 N N 0.594 119.407 118.700 0.187 0.000 2.696 85 N HA -0.155 4.586 4.740 0.001 0.000 0.256 85 N C -1.179 174.478 175.510 0.245 0.000 1.031 85 N CA 0.468 53.637 53.050 0.199 0.000 0.730 85 N CB -1.630 36.958 38.487 0.168 0.000 0.894 85 N HN 0.447 nan 8.380 nan 0.000 0.544 86 L N 0.349 121.610 121.223 0.063 0.000 2.352 86 L HA 0.597 4.938 4.340 0.001 0.000 0.269 86 L C -1.233 175.614 176.870 -0.038 0.000 1.034 86 L CA -1.617 53.103 54.840 -0.201 0.000 0.806 86 L CB 0.829 42.550 42.059 -0.563 0.000 1.244 86 L HN 0.003 nan 8.230 nan 0.000 0.447 87 P HA 0.059 nan 4.420 nan 0.000 0.277 87 P C 0.045 177.509 177.300 0.273 0.000 1.271 87 P CA -0.424 62.745 63.100 0.115 0.000 0.795 87 P CB 0.914 32.686 31.700 0.120 0.000 1.101 88 E N -0.169 120.147 120.200 0.194 0.000 2.106 88 E HA -0.109 4.241 4.350 0.001 0.000 0.192 88 E C 0.176 176.880 176.600 0.174 0.000 0.984 88 E CA 0.837 57.327 56.400 0.151 0.000 0.806 88 E CB 0.251 29.977 29.700 0.043 0.000 0.750 88 E HN 0.315 nan 8.360 nan 0.000 0.458 89 R N -0.520 120.089 120.500 0.183 0.000 2.628 89 R HA 0.421 4.761 4.340 0.001 0.000 0.288 89 R C -1.266 175.129 176.300 0.160 0.000 0.980 89 R CA -0.577 55.549 56.100 0.044 0.000 0.891 89 R CB 1.567 31.859 30.300 -0.014 0.000 1.188 89 R HN 0.006 nan 8.270 nan 0.000 0.450 90 F N -2.311 117.625 119.950 -0.023 0.000 2.807 90 F HA 0.456 4.983 4.527 0.001 0.000 0.316 90 F C -1.241 174.519 175.800 -0.067 0.000 1.162 90 F CA -1.046 56.920 58.000 -0.057 0.000 0.910 90 F CB 1.432 40.367 39.000 -0.107 0.000 1.314 90 F HN 0.131 nan 8.300 nan 0.000 0.454 91 T N 3.064 117.698 114.554 0.134 0.000 2.756 91 T HA 0.560 4.910 4.350 0.001 0.000 0.290 91 T C -1.061 173.716 174.700 0.129 0.000 0.985 91 T CA -0.319 61.804 62.100 0.039 0.000 0.955 91 T CB 1.052 69.930 68.868 0.016 0.000 0.930 91 T HN 0.730 nan 8.240 nan 0.000 0.451 92 L N 3.786 125.060 121.223 0.084 0.000 2.289 92 L HA 0.625 4.966 4.340 0.001 0.000 0.285 92 L C -0.182 176.696 176.870 0.013 0.000 1.049 92 L CA -0.216 54.668 54.840 0.074 0.000 0.804 92 L CB 0.804 42.914 42.059 0.084 0.000 1.195 92 L HN 0.474 nan 8.230 nan 0.000 0.428 93 K N 6.097 126.505 120.400 0.014 0.000 2.450 93 K HA 0.539 4.859 4.320 0.001 0.000 0.257 93 K C -1.621 174.985 176.600 0.010 0.000 0.953 93 K CA -0.640 55.651 56.287 0.006 0.000 0.844 93 K CB 0.968 33.468 32.500 -0.000 0.000 1.103 93 K HN 0.574 nan 8.250 nan 0.000 0.429 94 I N 5.958 126.515 120.570 -0.021 0.000 2.474 94 I HA 0.429 4.599 4.170 0.001 0.000 0.294 94 I C -0.226 175.862 176.117 -0.049 0.000 1.005 94 I CA -0.874 60.406 61.300 -0.034 0.000 1.113 94 I CB 1.693 39.684 38.000 -0.014 0.000 1.289 94 I HN 0.635 nan 8.210 nan 0.000 0.436 95 I N 6.906 127.452 120.570 -0.041 0.000 2.466 95 I HA 0.387 4.557 4.170 0.001 0.000 0.289 95 I C -0.452 175.631 176.117 -0.056 0.000 1.026 95 I CA -0.496 60.769 61.300 -0.059 0.000 1.078 95 I CB 1.896 39.877 38.000 -0.032 0.000 1.249 95 I HN 0.630 nan 8.210 nan 0.000 0.429 96 N N 4.848 123.498 118.700 -0.084 0.000 2.732 96 N HA 0.476 5.217 4.740 0.001 0.000 0.259 96 N C -1.511 173.948 175.510 -0.086 0.000 1.402 96 N CA -0.901 52.104 53.050 -0.075 0.000 0.829 96 N CB 2.404 40.834 38.487 -0.095 0.000 1.495 96 N HN 0.453 nan 8.380 nan 0.000 0.511 97 E N 0.405 120.567 120.200 -0.063 0.000 2.244 97 E HA 0.658 5.008 4.350 0.001 0.000 0.266 97 E C -0.483 176.089 176.600 -0.047 0.000 0.914 97 E CA -0.890 55.483 56.400 -0.045 0.000 0.794 97 E CB 2.622 32.311 29.700 -0.019 0.000 1.210 97 E HN 0.579 nan 8.360 nan 0.000 0.414 98 I N -2.326 118.230 120.570 -0.022 0.000 3.095 98 I HA 0.615 4.786 4.170 0.001 0.000 0.310 98 I C -0.780 175.349 176.117 0.020 0.000 1.196 98 I CA -0.904 60.392 61.300 -0.007 0.000 0.985 98 I CB 2.390 40.389 38.000 -0.001 0.000 1.250 98 I HN 0.319 nan 8.210 nan 0.000 0.446 99 S N 3.305 119.022 115.700 0.028 0.000 2.542 99 S HA 0.472 4.942 4.470 0.001 0.000 0.245 99 S C -1.694 172.934 174.600 0.047 0.000 1.325 99 S CA -1.471 56.750 58.200 0.035 0.000 1.176 99 S CB 0.728 63.944 63.200 0.027 0.000 1.045 99 S HN 0.633 nan 8.310 nan 0.000 0.481 100 P HA -0.134 nan 4.420 nan 0.000 0.216 100 P C 1.352 178.693 177.300 0.068 0.000 1.153 100 P CA 1.367 64.509 63.100 0.071 0.000 0.858 100 P CB 0.047 31.777 31.700 0.050 0.000 0.789 101 A N 0.376 123.224 122.820 0.047 0.000 2.019 101 A HA 0.000 4.321 4.320 0.001 0.000 0.219 101 A C 2.339 179.933 177.584 0.016 0.000 1.164 101 A CA 1.861 53.916 52.037 0.030 0.000 0.644 101 A CB -1.298 17.719 19.000 0.028 0.000 0.805 101 A HN 0.275 nan 8.150 nan 0.000 0.449 102 A N -0.718 122.114 122.820 0.021 0.000 2.251 102 A HA 0.101 4.422 4.320 0.001 0.000 0.209 102 A C 1.007 178.593 177.584 0.004 0.000 1.187 102 A CA 0.059 52.102 52.037 0.009 0.000 0.823 102 A CB -0.344 18.664 19.000 0.013 0.000 0.846 102 A HN 0.365 nan 8.150 nan 0.000 0.486 103 N N 1.512 120.223 118.700 0.018 0.000 2.605 103 N HA 0.026 4.766 4.740 0.001 0.000 0.258 103 N C 1.087 176.561 175.510 -0.059 0.000 1.156 103 N CA 0.860 53.910 53.050 0.000 0.000 1.008 103 N CB 0.524 39.049 38.487 0.064 0.000 1.354 103 N HN 0.389 nan 8.380 nan 0.000 0.509 104 T N -1.137 113.368 114.554 -0.081 0.000 3.081 104 T HA 0.106 4.456 4.350 0.001 0.000 0.255 104 T C 1.586 176.186 174.700 -0.166 0.000 1.113 104 T CA 0.481 62.513 62.100 -0.113 0.000 1.082 104 T CB 0.133 68.956 68.868 -0.076 0.000 0.939 104 T HN 0.250 nan 8.240 nan 0.000 0.506 105 A N 1.840 124.553 122.820 -0.180 0.000 2.119 105 A HA 0.424 4.745 4.320 0.001 0.000 0.216 105 A C 1.444 178.815 177.584 -0.356 0.000 1.152 105 A CA 0.425 52.329 52.037 -0.220 0.000 0.708 105 A CB -0.788 18.098 19.000 -0.190 0.000 0.805 105 A HN 0.708 nan 8.150 nan 0.000 0.460 106 L N -1.419 119.492 121.223 -0.520 0.000 3.608 106 L HA -0.200 4.140 4.340 0.001 0.000 0.422 106 L C -0.003 176.452 176.870 -0.690 0.000 1.260 106 L CA 0.756 54.945 54.840 -1.084 0.000 0.889 106 L CB -2.088 39.368 42.059 -1.005 0.000 1.821 106 L HN 0.686 nan 8.230 nan 0.000 0.884 107 E N 0.351 120.321 120.200 -0.384 0.000 2.216 107 E HA 0.557 4.908 4.350 0.001 0.000 0.260 107 E C 0.644 177.151 176.600 -0.156 0.000 0.880 107 E CA 0.314 56.545 56.400 -0.282 0.000 0.765 107 E CB 1.732 31.170 29.700 -0.438 0.000 1.174 107 E HN 0.298 nan 8.360 nan 0.000 0.417 108 G N 2.904 111.727 108.800 0.039 0.000 2.464 108 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 108 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 108 G C -1.363 173.678 174.900 0.236 0.000 1.186 108 G CA -0.288 44.898 45.100 0.143 0.000 1.010 108 G HN 0.594 nan 8.290 nan 0.000 0.585 109 L N 2.050 123.389 121.223 0.193 0.000 2.264 109 L HA 0.822 5.163 4.340 0.001 0.000 0.289 109 L C -0.041 176.938 176.870 0.182 0.000 1.044 109 L CA -0.799 54.123 54.840 0.137 0.000 0.807 109 L CB 0.365 42.489 42.059 0.108 0.000 1.192 109 L HN 1.112 nan 8.230 nan 0.000 0.425 110 Y N 1.696 122.006 120.300 0.016 0.000 2.715 110 Y HA 0.631 5.182 4.550 0.001 0.000 0.331 110 Y C -0.946 174.958 175.900 0.007 0.000 1.197 110 Y CA -1.254 56.847 58.100 0.002 0.000 1.079 110 Y CB 0.967 39.419 38.460 -0.013 0.000 1.298 110 Y HN 0.598 nan 8.280 nan 0.000 0.477 111 Q N 1.276 121.172 119.800 0.160 0.000 2.271 111 Q HA 0.506 4.846 4.340 0.001 0.000 0.258 111 Q C -1.265 174.776 176.000 0.067 0.000 0.936 111 Q CA -0.723 55.103 55.803 0.039 0.000 0.909 111 Q CB 1.550 30.302 28.738 0.024 0.000 1.253 111 Q HN 0.727 nan 8.270 nan 0.000 0.440 112 S N 3.142 118.866 115.700 0.039 0.000 2.622 112 S HA 0.615 5.086 4.470 0.001 0.000 0.283 112 S C 0.243 174.957 174.600 0.190 0.000 1.197 112 S CA 0.425 58.738 58.200 0.189 0.000 1.146 112 S CB 0.162 63.560 63.200 0.329 0.000 1.007 112 S HN 1.053 nan 8.310 nan 0.000 0.478 113 G N 4.718 113.557 108.800 0.065 0.000 2.543 113 G HA2 -0.267 3.694 3.960 0.001 0.000 0.286 113 G HA3 -0.267 3.694 3.960 0.001 0.000 0.286 113 G C 0.203 175.135 174.900 0.053 0.000 1.153 113 G CA 0.567 45.751 45.100 0.139 0.000 0.968 113 G HN 0.613 nan 8.290 nan 0.000 0.544 114 D N 1.977 122.410 120.400 0.054 0.000 2.360 114 D HA 0.465 5.105 4.640 0.001 0.000 0.210 114 D C 1.348 177.690 176.300 0.069 0.000 1.047 114 D CA 0.937 54.949 54.000 0.020 0.000 0.854 114 D CB 0.321 41.096 40.800 -0.042 0.000 0.936 114 D HN 0.772 nan 8.370 nan 0.000 0.514 115 A N 0.545 123.419 122.820 0.089 0.000 2.264 115 A HA 0.640 4.960 4.320 0.001 0.000 0.304 115 A C -0.243 177.409 177.584 0.112 0.000 1.100 115 A CA -0.358 51.765 52.037 0.145 0.000 0.839 115 A CB 0.761 19.868 19.000 0.179 0.000 1.121 115 A HN 0.105 nan 8.150 nan 0.000 0.496 116 L N 0.615 121.879 121.223 0.069 0.000 2.346 116 L HA 0.614 4.954 4.340 0.001 0.000 0.276 116 L C -0.238 176.529 176.870 -0.170 0.000 1.006 116 L CA -0.564 54.219 54.840 -0.095 0.000 0.817 116 L CB 1.547 43.499 42.059 -0.178 0.000 1.272 116 L HN 1.045 nan 8.230 nan 0.000 0.421 117 C N -0.310 118.785 119.300 -0.341 0.000 3.332 117 C HA 0.929 5.390 4.460 0.001 0.000 0.329 117 C C 0.000 174.742 174.990 -0.413 0.000 1.434 117 C CA -0.589 58.218 59.018 -0.352 0.000 1.314 117 C CB 1.617 29.182 27.740 -0.291 0.000 1.664 117 C HN 0.869 nan 8.230 nan 0.000 0.457 118 T N -1.051 113.385 114.554 -0.197 0.000 2.916 118 T HA 0.770 5.121 4.350 0.001 0.000 0.292 118 T C -1.161 173.665 174.700 0.210 0.000 1.064 118 T CA -0.202 61.908 62.100 0.016 0.000 1.011 118 T CB 1.850 70.744 68.868 0.043 0.000 1.152 118 T HN 1.254 nan 8.240 nan 0.000 0.510 119 Q N -0.010 119.950 119.800 0.266 0.000 2.374 119 Q HA 0.485 4.825 4.340 0.001 0.000 0.250 119 Q C -0.854 175.227 176.000 0.136 0.000 0.918 119 Q CA -0.630 55.281 55.803 0.180 0.000 0.778 119 Q CB 0.800 29.555 28.738 0.030 0.000 1.328 119 Q HN 0.846 nan 8.270 nan 0.000 0.445 120 C N 2.622 122.025 119.300 0.173 0.000 3.070 120 C HA 0.324 4.785 4.460 0.001 0.000 0.280 120 C C 0.686 175.795 174.990 0.199 0.000 1.264 120 C CA -0.126 59.039 59.018 0.244 0.000 1.690 120 C CB -0.135 27.836 27.740 0.385 0.000 2.049 120 C HN 0.803 nan 8.230 nan 0.000 0.636 121 E N 0.703 120.965 120.200 0.103 0.000 2.313 121 E HA 0.468 4.818 4.350 0.001 0.000 0.272 121 E C 0.817 177.234 176.600 -0.306 0.000 1.038 121 E CA 0.111 56.497 56.400 -0.023 0.000 0.863 121 E CB 1.316 31.018 29.700 0.004 0.000 1.060 121 E HN 0.295 nan 8.360 nan 0.000 0.402 122 A N 4.330 126.852 122.820 -0.496 0.000 1.854 122 A HA -0.084 4.236 4.320 0.001 0.000 0.214 122 A C 0.834 178.306 177.584 -0.188 0.000 1.192 122 A CA 1.106 52.680 52.037 -0.771 0.000 0.611 122 A CB -0.039 18.211 19.000 -1.250 0.000 0.832 122 A HN 0.740 nan 8.150 nan 0.000 0.442 123 E N -0.782 119.379 120.200 -0.065 0.000 3.582 123 E HA 0.322 4.672 4.350 0.001 0.000 0.217 123 E C 0.774 177.517 176.600 0.239 0.000 1.092 123 E CA 0.104 56.605 56.400 0.168 0.000 1.365 123 E CB 0.605 30.395 29.700 0.149 0.000 1.278 123 E HN 0.474 nan 8.360 nan 0.000 0.439 124 G N 0.144 109.076 108.800 0.220 0.000 2.662 124 G HA2 -0.164 3.796 3.960 0.001 0.000 0.212 124 G HA3 -0.164 3.796 3.960 0.001 0.000 0.212 124 G C 1.070 176.175 174.900 0.342 0.000 1.141 124 G CA -0.169 45.061 45.100 0.218 0.000 0.797 124 G HN 0.330 nan 8.290 nan 0.000 0.531 125 F N 2.839 122.929 119.950 0.232 0.000 2.269 125 F HA -0.048 4.480 4.527 0.001 0.000 0.301 125 F C 2.755 178.648 175.800 0.154 0.000 1.082 125 F CA 1.339 59.454 58.000 0.192 0.000 1.360 125 F CB 0.116 39.222 39.000 0.178 0.000 1.041 125 F HN 0.209 nan 8.300 nan 0.000 0.512 126 R N -0.963 119.673 120.500 0.227 0.000 2.328 126 R HA -0.112 4.229 4.340 0.001 0.000 0.207 126 R C 1.166 177.360 176.300 -0.177 0.000 1.056 126 R CA 1.545 57.663 56.100 0.029 0.000 1.016 126 R CB -1.169 29.180 30.300 0.083 0.000 0.872 126 R HN 0.415 nan 8.270 nan 0.000 0.471 127 H N -0.099 118.915 119.070 -0.094 0.000 2.539 127 H HA 0.204 4.761 4.556 0.001 0.000 0.269 127 H C 1.416 176.650 175.328 -0.157 0.000 0.980 127 H CA 0.542 56.526 56.048 -0.106 0.000 1.152 127 H CB 0.480 30.220 29.762 -0.036 0.000 1.407 127 H HN 0.285 nan 8.280 nan 0.000 0.564 128 I N -0.889 119.569 120.570 -0.186 0.000 3.300 128 I HA 0.008 4.179 4.170 0.001 0.000 0.279 128 I C 0.752 176.623 176.117 -0.411 0.000 1.172 128 I CA 0.491 61.627 61.300 -0.274 0.000 1.431 128 I CB 0.992 38.765 38.000 -0.377 0.000 1.240 128 I HN -0.049 nan 8.210 nan 0.000 0.453 129 T N -1.532 112.697 114.554 -0.542 0.000 2.749 129 T HA 0.355 4.706 4.350 0.001 0.000 0.310 129 T C -1.797 172.739 174.700 -0.274 0.000 1.496 129 T CA -0.438 61.413 62.100 -0.416 0.000 1.006 129 T CB 0.775 69.405 68.868 -0.396 0.000 1.457 129 T HN -0.132 nan 8.240 nan 0.000 0.497 130 Y N 2.322 122.572 120.300 -0.083 0.000 2.496 130 Y HA 0.549 5.100 4.550 0.001 0.000 0.334 130 Y C -0.108 175.886 175.900 0.156 0.000 1.080 130 Y CA 0.409 58.510 58.100 0.002 0.000 1.355 130 Y CB 0.237 38.666 38.460 -0.052 0.000 1.193 130 Y HN 0.573 nan 8.280 nan 0.000 0.523 131 Y N 1.318 121.738 120.300 0.200 0.000 2.725 131 Y HA 0.439 4.989 4.550 0.001 0.000 0.333 131 Y C -1.391 174.629 175.900 0.200 0.000 1.242 131 Y CA -1.701 56.526 58.100 0.212 0.000 1.059 131 Y CB 1.170 39.861 38.460 0.386 0.000 1.306 131 Y HN 0.334 nan 8.280 nan 0.000 0.454 132 L N 3.393 124.330 121.223 -0.476 0.000 2.387 132 L HA 0.178 4.519 4.340 0.001 0.000 0.267 132 L C -0.381 176.541 176.870 0.086 0.000 1.197 132 L CA 0.084 54.794 54.840 -0.217 0.000 1.070 132 L CB -0.284 41.564 42.059 -0.351 0.000 1.349 132 L HN 0.472 nan 8.230 nan 0.000 0.422 133 D N 4.494 125.081 120.400 0.312 0.000 2.688 133 D HA 0.082 4.722 4.640 0.001 0.000 0.228 133 D C 0.046 176.566 176.300 0.367 0.000 1.116 133 D CA -0.103 54.165 54.000 0.446 0.000 1.023 133 D CB 0.115 41.183 40.800 0.446 0.000 1.100 133 D HN 0.429 nan 8.370 nan 0.000 0.487 134 R N 0.843 121.524 120.500 0.302 0.000 2.604 134 R HA 0.414 4.754 4.340 0.001 0.000 0.281 134 R C -2.435 173.959 176.300 0.156 0.000 1.020 134 R CA -1.480 54.752 56.100 0.220 0.000 0.899 134 R CB 1.352 31.744 30.300 0.152 0.000 1.205 134 R HN -0.198 nan 8.270 nan 0.000 0.450 135 P HA -0.154 nan 4.420 nan 0.000 0.231 135 P C -0.148 177.149 177.300 -0.006 0.000 1.158 135 P CA 1.040 64.123 63.100 -0.029 0.000 0.763 135 P CB 0.182 31.606 31.700 -0.460 0.000 0.805 136 D N -0.789 119.618 120.400 0.011 0.000 2.328 136 D HA 0.026 4.667 4.640 0.001 0.000 0.221 136 D C 0.277 176.604 176.300 0.045 0.000 1.072 136 D CA -0.304 53.718 54.000 0.036 0.000 0.850 136 D CB -0.427 40.429 40.800 0.094 0.000 0.922 136 D HN 0.002 nan 8.370 nan 0.000 0.516 137 V N 1.430 121.382 119.914 0.063 0.000 2.311 137 V HA 0.256 4.376 4.120 0.001 0.000 0.275 137 V C -0.617 175.540 176.094 0.106 0.000 1.022 137 V CA -0.722 61.611 62.300 0.055 0.000 0.830 137 V CB 1.160 32.999 31.823 0.027 0.000 1.012 137 V HN 0.018 nan 8.190 nan 0.000 0.452 138 L N 5.279 126.553 121.223 0.086 0.000 2.305 138 L HA 0.842 5.183 4.340 0.001 0.000 0.284 138 L C 0.291 177.239 176.870 0.131 0.000 1.013 138 L CA 0.139 55.048 54.840 0.115 0.000 0.819 138 L CB 1.550 43.656 42.059 0.077 0.000 1.227 138 L HN 0.701 nan 8.230 nan 0.000 0.417 139 A N 3.721 126.670 122.820 0.216 0.000 2.423 139 A HA 0.843 5.164 4.320 0.001 0.000 0.304 139 A C -0.502 177.231 177.584 0.248 0.000 1.104 139 A CA -0.813 51.321 52.037 0.161 0.000 0.757 139 A CB 1.210 20.249 19.000 0.065 0.000 1.313 139 A HN 0.620 nan 8.150 nan 0.000 0.423 140 R N 0.616 121.194 120.500 0.131 0.000 2.202 140 R HA 0.430 4.771 4.340 0.001 0.000 0.334 140 R C -1.534 174.866 176.300 0.168 0.000 1.036 140 R CA 0.042 56.245 56.100 0.173 0.000 0.878 140 R CB 0.477 30.820 30.300 0.071 0.000 1.067 140 R HN 0.536 nan 8.270 nan 0.000 0.457 141 F N 0.735 120.712 119.950 0.046 0.000 2.385 141 F HA 0.317 4.845 4.527 0.001 0.000 0.336 141 F C 0.762 176.631 175.800 0.114 0.000 1.100 141 F CA -0.181 57.864 58.000 0.075 0.000 1.116 141 F CB 1.996 41.063 39.000 0.112 0.000 1.166 141 F HN 0.276 nan 8.300 nan 0.000 0.511 142 T N 1.533 116.254 114.554 0.278 0.000 2.879 142 T HA 0.477 4.828 4.350 0.001 0.000 0.290 142 T C -0.776 174.109 174.700 0.308 0.000 0.993 142 T CA -0.716 61.536 62.100 0.252 0.000 0.975 142 T CB 1.355 70.311 68.868 0.146 0.000 0.981 142 T HN 0.468 nan 8.240 nan 0.000 0.439 143 T N 3.439 118.232 114.554 0.398 0.000 2.847 143 T HA 0.447 4.798 4.350 0.001 0.000 0.291 143 T C -0.474 174.493 174.700 0.446 0.000 0.998 143 T CA -0.773 61.608 62.100 0.469 0.000 0.967 143 T CB 1.295 70.511 68.868 0.580 0.000 0.954 143 T HN 0.423 nan 8.240 nan 0.000 0.441 144 K N 4.250 124.873 120.400 0.371 0.000 2.213 144 K HA 0.619 4.940 4.320 0.001 0.000 0.270 144 K C -1.028 175.790 176.600 0.364 0.000 1.002 144 K CA -0.690 55.796 56.287 0.331 0.000 0.868 144 K CB 0.676 33.273 32.500 0.162 0.000 1.093 144 K HN 0.564 nan 8.250 nan 0.000 0.454 145 I N 6.097 126.879 120.570 0.355 0.000 2.406 145 I HA 0.369 4.540 4.170 0.001 0.000 0.290 145 I C -0.491 175.766 176.117 0.233 0.000 0.999 145 I CA -0.884 60.581 61.300 0.275 0.000 1.124 145 I CB 1.658 39.771 38.000 0.189 0.000 1.289 145 I HN 0.474 nan 8.210 nan 0.000 0.441 146 I N 5.637 126.324 120.570 0.194 0.000 2.406 146 I HA 0.832 5.002 4.170 0.001 0.000 0.290 146 I C -0.059 176.153 176.117 0.158 0.000 0.999 146 I CA -0.291 61.121 61.300 0.187 0.000 1.124 146 I CB 1.854 39.936 38.000 0.137 0.000 1.289 146 I HN 0.728 nan 8.210 nan 0.000 0.441 147 A N 3.892 126.837 122.820 0.208 0.000 2.564 147 A HA 0.429 4.750 4.320 0.001 0.000 0.291 147 A C -1.610 176.206 177.584 0.385 0.000 1.102 147 A CA -0.711 51.484 52.037 0.264 0.000 0.660 147 A CB 1.242 20.365 19.000 0.205 0.000 1.283 147 A HN 0.704 nan 8.150 nan 0.000 0.430 148 D N 0.337 120.966 120.400 0.382 0.000 2.434 148 D HA 0.186 4.826 4.640 0.001 0.000 0.252 148 D C 1.058 177.492 176.300 0.223 0.000 1.185 148 D CA 0.403 54.555 54.000 0.253 0.000 0.886 148 D CB 0.773 41.675 40.800 0.169 0.000 1.148 148 D HN 0.527 nan 8.370 nan 0.000 0.483 149 K N 3.464 123.895 120.400 0.051 0.000 2.097 149 K HA -0.110 4.210 4.320 0.001 0.000 0.205 149 K C 1.661 178.151 176.600 -0.183 0.000 1.050 149 K CA 0.921 57.044 56.287 -0.273 0.000 0.938 149 K CB 0.041 32.252 32.500 -0.481 0.000 0.718 149 K HN 0.611 nan 8.250 nan 0.000 0.442 150 I N 0.779 121.276 120.570 -0.122 0.000 2.252 150 I HA -0.253 3.918 4.170 0.001 0.000 0.245 150 I C 2.532 178.553 176.117 -0.160 0.000 1.102 150 I CA 1.201 62.427 61.300 -0.124 0.000 1.385 150 I CB -0.141 37.801 38.000 -0.097 0.000 1.064 150 I HN 0.185 nan 8.210 nan 0.000 0.414 151 K N 0.330 120.589 120.400 -0.234 0.000 2.167 151 K HA -0.098 4.223 4.320 0.001 0.000 0.203 151 K C -0.161 176.066 176.600 -0.622 0.000 1.052 151 K CA 1.025 57.012 56.287 -0.500 0.000 0.956 151 K CB 0.279 32.334 32.500 -0.743 0.000 0.735 151 K HN 0.201 nan 8.250 nan 0.000 0.451 152 Y N 0.425 120.756 120.300 0.051 0.000 2.562 152 Y HA 0.268 4.819 4.550 0.001 0.000 0.363 152 Y C -2.094 173.920 175.900 0.191 0.000 0.991 152 Y CA -2.561 55.608 58.100 0.116 0.000 1.121 152 Y CB 1.302 39.849 38.460 0.146 0.000 1.159 152 Y HN 0.088 nan 8.280 nan 0.000 0.651 153 P HA -0.124 nan 4.420 nan 0.000 0.221 153 P C -0.185 177.091 177.300 -0.041 0.000 1.150 153 P CA 1.157 64.230 63.100 -0.044 0.000 0.800 153 P CB 0.282 31.849 31.700 -0.222 0.000 0.787 154 F N 0.400 120.546 119.950 0.327 0.000 2.426 154 F HA 0.394 4.922 4.527 0.001 0.000 0.348 154 F C 0.546 176.509 175.800 0.271 0.000 1.124 154 F CA -0.809 57.393 58.000 0.337 0.000 1.008 154 F CB 1.335 40.598 39.000 0.439 0.000 1.139 154 F HN -0.338 nan 8.300 nan 0.000 0.452 155 L N 5.944 127.384 121.223 0.362 0.000 2.345 155 L HA 0.569 4.910 4.340 0.001 0.000 0.274 155 L C -0.971 176.071 176.870 0.288 0.000 0.999 155 L CA -0.433 54.546 54.840 0.232 0.000 0.849 155 L CB 1.207 43.354 42.059 0.146 0.000 1.220 155 L HN 0.504 nan 8.230 nan 0.000 0.422 156 L N 1.869 123.048 121.223 -0.074 0.000 2.354 156 L HA 0.796 5.136 4.340 0.001 0.000 0.269 156 L C -0.053 176.242 176.870 -0.958 0.000 1.005 156 L CA -0.409 54.072 54.840 -0.598 0.000 0.819 156 L CB 2.092 43.755 42.059 -0.661 0.000 1.311 156 L HN 0.535 nan 8.230 nan 0.000 0.423 157 S N 0.023 114.682 115.700 -1.736 0.000 2.688 157 S HA 0.434 4.905 4.470 0.001 0.000 0.275 157 S C -1.315 172.688 174.600 -0.995 0.000 1.175 157 S CA -0.877 56.659 58.200 -1.107 0.000 0.818 157 S CB 1.619 64.456 63.200 -0.606 0.000 1.157 157 S HN 0.694 nan 8.310 nan 0.000 0.482 158 N N 1.234 119.605 118.700 -0.548 0.000 2.454 158 N HA 0.397 5.138 4.740 0.001 0.000 0.254 158 N C 0.671 176.162 175.510 -0.032 0.000 1.228 158 N CA 1.215 54.078 53.050 -0.313 0.000 0.900 158 N CB 0.512 38.845 38.487 -0.257 0.000 1.089 158 N HN 1.047 nan 8.380 nan 0.000 0.449 159 G N 2.318 111.147 108.800 0.048 0.000 2.481 159 G HA2 -0.235 3.726 3.960 0.001 0.000 0.230 159 G HA3 -0.235 3.726 3.960 0.001 0.000 0.230 159 G C -0.904 174.261 174.900 0.441 0.000 1.210 159 G CA -0.588 44.650 45.100 0.230 0.000 0.936 159 G HN 0.673 nan 8.290 nan 0.000 0.583 160 N N -0.169 118.763 118.700 0.386 0.000 2.370 160 N HA 0.571 5.312 4.740 0.001 0.000 0.303 160 N C 0.036 175.545 175.510 -0.001 0.000 1.103 160 N CA -0.750 52.452 53.050 0.253 0.000 0.848 160 N CB 1.697 40.253 38.487 0.115 0.000 1.235 160 N HN 0.650 nan 8.380 nan 0.000 0.496 161 R N 1.451 121.687 120.500 -0.440 0.000 2.296 161 R HA 0.129 4.470 4.340 0.001 0.000 0.323 161 R C 0.477 176.562 176.300 -0.359 0.000 1.067 161 R CA -0.162 55.436 56.100 -0.837 0.000 0.946 161 R CB 0.243 29.985 30.300 -0.930 0.000 0.991 161 R HN 0.618 nan 8.270 nan 0.000 0.448 162 V N 0.933 120.691 119.914 -0.261 0.000 3.605 162 V HA 0.538 4.658 4.120 0.001 0.000 0.284 162 V C 0.202 176.244 176.094 -0.087 0.000 1.386 162 V CA 0.496 62.728 62.300 -0.114 0.000 1.053 162 V CB 0.261 32.068 31.823 -0.027 0.000 0.857 162 V HN 0.664 nan 8.190 nan 0.000 0.436 163 A N 0.794 123.533 122.820 -0.135 0.000 2.608 163 A HA 0.814 5.134 4.320 0.001 0.000 0.292 163 A C -1.330 176.035 177.584 -0.365 0.000 1.066 163 A CA -0.316 51.656 52.037 -0.108 0.000 0.676 163 A CB 1.625 20.735 19.000 0.182 0.000 1.277 163 A HN 0.713 nan 8.150 nan 0.000 0.413 164 Q N 0.348 119.726 119.800 -0.702 0.000 2.594 164 Q HA 0.667 5.008 4.340 0.001 0.000 0.278 164 Q C -0.488 174.725 176.000 -1.312 0.000 0.961 164 Q CA -0.592 54.558 55.803 -1.087 0.000 0.844 164 Q CB 1.529 29.931 28.738 -0.559 0.000 1.475 164 Q HN 2.095 nan 8.270 nan 0.000 0.389 165 G N 0.741 108.537 108.800 -1.673 0.000 2.608 165 G HA2 0.506 4.466 3.960 0.001 0.000 0.291 165 G HA3 0.506 4.466 3.960 0.001 0.000 0.291 165 G C -1.599 173.030 174.900 -0.452 0.000 1.425 165 G CA -0.587 43.973 45.100 -0.899 0.000 0.787 165 G HN 0.415 nan 8.290 nan 0.000 0.484 166 E N -0.370 119.803 120.200 -0.044 0.000 2.221 166 E HA 0.686 5.036 4.350 0.001 0.000 0.268 166 E C -0.577 176.147 176.600 0.207 0.000 0.933 166 E CA -0.487 55.967 56.400 0.091 0.000 0.809 166 E CB 2.520 32.244 29.700 0.041 0.000 1.190 166 E HN 0.347 nan 8.360 nan 0.000 0.406 167 L N 0.417 121.765 121.223 0.209 0.000 2.277 167 L HA 0.354 4.694 4.340 0.001 0.000 0.254 167 L C 0.541 177.483 176.870 0.119 0.000 1.044 167 L CA -1.067 53.885 54.840 0.187 0.000 0.842 167 L CB 1.563 43.756 42.059 0.223 0.000 1.422 167 L HN 0.531 nan 8.230 nan 0.000 0.422 168 E N -0.466 119.790 120.200 0.093 0.000 2.391 168 E HA 0.137 4.487 4.350 0.001 0.000 0.255 168 E C -0.531 176.109 176.600 0.066 0.000 1.187 168 E CA -0.535 55.905 56.400 0.066 0.000 0.941 168 E CB 0.203 29.934 29.700 0.052 0.000 1.010 168 E HN 0.584 nan 8.360 nan 0.000 0.458 169 N N 0.007 118.736 118.700 0.049 0.000 2.747 169 N HA -0.200 4.541 4.740 0.001 0.000 0.249 169 N C 0.601 176.141 175.510 0.050 0.000 1.107 169 N CA 1.174 54.251 53.050 0.045 0.000 0.707 169 N CB -1.670 36.847 38.487 0.050 0.000 1.054 169 N HN 1.049 nan 8.380 nan 0.000 0.555 170 G N -0.537 108.290 108.800 0.043 0.000 2.179 170 G HA2 -0.375 3.585 3.960 0.001 0.000 0.257 170 G HA3 -0.375 3.585 3.960 0.001 0.000 0.257 170 G C 0.190 175.127 174.900 0.062 0.000 1.010 170 G CA 0.942 46.061 45.100 0.031 0.000 0.736 170 G HN 0.630 nan 8.290 nan 0.000 0.513 171 R N -0.555 120.014 120.500 0.115 0.000 2.758 171 R HA 0.776 5.116 4.340 0.001 0.000 0.265 171 R C 0.446 176.919 176.300 0.289 0.000 1.016 171 R CA -0.278 55.944 56.100 0.203 0.000 1.040 171 R CB 1.123 31.540 30.300 0.195 0.000 1.152 171 R HN 0.780 nan 8.270 nan 0.000 0.503 172 H N -1.491 117.673 119.070 0.156 0.000 2.990 172 H HA 0.618 5.174 4.556 0.001 0.000 0.343 172 H C -1.510 173.977 175.328 0.265 0.000 1.270 172 H CA -1.201 54.935 56.048 0.148 0.000 1.118 172 H CB 1.708 31.482 29.762 0.020 0.000 1.861 172 H HN 0.684 nan 8.280 nan 0.000 0.544 173 W N 0.467 121.699 121.300 -0.112 0.000 3.118 173 W HA 0.672 5.332 4.660 0.001 0.000 0.328 173 W C -2.459 173.968 176.519 -0.153 0.000 1.239 173 W CA -1.216 56.032 57.345 -0.161 0.000 1.176 173 W CB 0.850 30.293 29.460 -0.028 0.000 1.433 173 W HN 0.543 nan 8.180 nan 0.000 0.562 174 V N 1.595 121.585 119.914 0.126 0.000 2.888 174 V HA 0.355 4.476 4.120 0.001 0.000 0.309 174 V C -0.743 175.480 176.094 0.215 0.000 1.114 174 V CA -0.689 61.591 62.300 -0.032 0.000 0.940 174 V CB 1.870 33.656 31.823 -0.062 0.000 1.021 174 V HN 0.625 nan 8.190 nan 0.000 0.426 175 Q N 2.104 121.949 119.800 0.074 0.000 2.333 175 Q HA 0.534 4.875 4.340 0.001 0.000 0.267 175 Q C -2.060 173.885 176.000 -0.092 0.000 1.012 175 Q CA -0.544 55.368 55.803 0.182 0.000 0.824 175 Q CB 2.031 30.953 28.738 0.306 0.000 1.290 175 Q HN 0.705 nan 8.270 nan 0.000 0.449 176 W N 1.939 123.323 121.300 0.139 0.000 2.689 176 W HA 0.445 5.106 4.660 0.001 0.000 0.340 176 W C -0.525 176.063 176.519 0.116 0.000 1.060 176 W CA -0.510 56.897 57.345 0.103 0.000 1.218 176 W CB 1.718 31.224 29.460 0.077 0.000 1.410 176 W HN 0.491 nan 8.180 nan 0.000 0.528 177 Q N 2.466 122.453 119.800 0.312 0.000 2.304 177 Q HA 0.201 4.542 4.340 0.001 0.000 0.270 177 Q C -1.720 174.402 176.000 0.204 0.000 1.035 177 Q CA -0.553 55.381 55.803 0.220 0.000 0.781 177 Q CB 1.901 30.714 28.738 0.125 0.000 1.261 177 Q HN 0.406 nan 8.270 nan 0.000 0.444 178 D N 5.846 126.360 120.400 0.191 0.000 2.441 178 D HA 0.257 4.897 4.640 0.001 0.000 0.231 178 D C -1.664 174.693 176.300 0.095 0.000 1.073 178 D CA -2.127 51.961 54.000 0.147 0.000 0.850 178 D CB 1.780 42.655 40.800 0.125 0.000 1.062 178 D HN 0.381 nan 8.370 nan 0.000 0.524 179 P HA -0.050 nan 4.420 nan 0.000 0.223 179 P C 0.195 177.336 177.300 -0.266 0.000 1.151 179 P CA 0.233 63.227 63.100 -0.177 0.000 0.787 179 P CB 0.074 31.578 31.700 -0.327 0.000 0.788 180 F N 1.906 121.841 119.950 -0.025 0.000 2.445 180 F HA 0.340 4.867 4.527 0.001 0.000 0.359 180 F C -1.747 174.044 175.800 -0.016 0.000 1.101 180 F CA -2.584 55.385 58.000 -0.050 0.000 1.177 180 F CB -0.252 38.676 39.000 -0.120 0.000 1.110 180 F HN -0.191 nan 8.300 nan 0.000 0.522 181 P HA 0.098 nan 4.420 nan 0.000 0.266 181 P C -1.124 176.243 177.300 0.112 0.000 1.195 181 P CA -0.109 63.073 63.100 0.136 0.000 0.768 181 P CB 0.479 32.238 31.700 0.098 0.000 0.838 182 K N 2.697 123.169 120.400 0.119 0.000 2.556 182 K HA 0.629 4.950 4.320 0.001 0.000 0.274 182 K C -3.196 173.425 176.600 0.036 0.000 0.966 182 K CA -2.337 53.946 56.287 -0.006 0.000 0.865 182 K CB 1.735 34.134 32.500 -0.170 0.000 1.444 182 K HN 0.075 nan 8.250 nan 0.000 0.433 183 P HA 0.033 nan 4.420 nan 0.000 0.277 183 P C 0.947 178.204 177.300 -0.072 0.000 1.240 183 P CA -0.599 62.526 63.100 0.042 0.000 0.798 183 P CB 0.896 32.646 31.700 0.084 0.000 0.979 184 C N 0.252 119.602 119.300 0.083 0.000 2.449 184 C HA -0.090 4.370 4.460 0.001 0.000 0.283 184 C C 2.535 177.486 174.990 -0.066 0.000 1.453 184 C CA 0.183 59.081 59.018 -0.199 0.000 1.779 184 C CB -2.669 24.789 27.740 -0.470 0.000 1.779 184 C HN 0.636 nan 8.230 nan 0.000 0.546 185 Y N 0.745 121.126 120.300 0.136 0.000 2.574 185 Y HA 0.273 4.824 4.550 0.001 0.000 0.294 185 Y C 1.718 177.675 175.900 0.095 0.000 1.142 185 Y CA 0.577 58.802 58.100 0.209 0.000 1.314 185 Y CB -0.775 37.936 38.460 0.418 0.000 0.991 185 Y HN 0.279 nan 8.280 nan 0.000 0.555 186 L N -0.174 120.752 121.223 -0.495 0.000 2.607 186 L HA 0.162 4.502 4.340 0.001 0.000 0.228 186 L C 0.212 176.870 176.870 -0.354 0.000 1.123 186 L CA -0.435 54.127 54.840 -0.463 0.000 0.890 186 L CB -0.174 41.511 42.059 -0.623 0.000 1.103 186 L HN 0.202 nan 8.230 nan 0.000 0.468 187 F N 1.711 121.389 119.950 -0.454 0.000 2.471 187 F HA 0.494 5.022 4.527 0.001 0.000 0.353 187 F C 0.310 175.990 175.800 -0.201 0.000 1.113 187 F CA -0.695 57.033 58.000 -0.453 0.000 1.262 187 F CB 0.576 39.304 39.000 -0.452 0.000 1.146 187 F HN -0.114 nan 8.300 nan 0.000 0.578 188 A N 6.885 128.892 122.820 -1.355 0.000 2.549 188 A HA 0.730 5.051 4.320 0.001 0.000 0.297 188 A C -2.129 174.722 177.584 -1.222 0.000 1.061 188 A CA -0.724 50.722 52.037 -0.986 0.000 0.690 188 A CB 1.463 20.131 19.000 -0.554 0.000 1.287 188 A HN 1.020 nan 8.150 nan 0.000 0.402 189 L N 1.971 122.727 121.223 -0.779 0.000 2.464 189 L HA 0.831 5.171 4.340 0.001 0.000 0.266 189 L C -1.838 174.775 176.870 -0.428 0.000 0.965 189 L CA -0.622 53.847 54.840 -0.618 0.000 0.833 189 L CB 2.117 43.836 42.059 -0.567 0.000 1.296 189 L HN 0.566 nan 8.230 nan 0.000 0.405 190 V N 3.516 123.198 119.914 -0.385 0.000 2.760 190 V HA 0.916 5.036 4.120 0.001 0.000 0.309 190 V C -0.581 175.446 176.094 -0.112 0.000 1.077 190 V CA -0.267 61.882 62.300 -0.253 0.000 0.910 190 V CB 1.786 33.408 31.823 -0.335 0.000 1.008 190 V HN 0.879 nan 8.190 nan 0.000 0.424 191 A N 2.799 125.630 122.820 0.018 0.000 2.427 191 A HA 1.049 5.369 4.320 0.001 0.000 0.298 191 A C -0.093 177.709 177.584 0.364 0.000 1.036 191 A CA 0.129 52.243 52.037 0.128 0.000 0.701 191 A CB 1.910 20.788 19.000 -0.204 0.000 1.250 191 A HN 1.832 nan 8.150 nan 0.000 0.412 192 G N 0.403 109.476 108.800 0.455 0.000 2.317 192 G HA2 0.450 4.410 3.960 0.001 0.000 0.293 192 G HA3 0.450 4.410 3.960 0.001 0.000 0.293 192 G C -2.166 172.638 174.900 -0.160 0.000 1.287 192 G CA -0.181 44.960 45.100 0.068 0.000 0.850 192 G HN 0.876 nan 8.290 nan 0.000 0.515 193 D N -0.484 119.596 120.400 -0.533 0.000 2.344 193 D HA 0.733 5.373 4.640 0.001 0.000 0.239 193 D C -0.858 175.104 176.300 -0.563 0.000 1.064 193 D CA -0.196 53.679 54.000 -0.207 0.000 0.829 193 D CB 0.778 41.514 40.800 -0.106 0.000 1.129 193 D HN 0.254 nan 8.370 nan 0.000 0.506 194 F N 0.951 121.000 119.950 0.165 0.000 2.629 194 F HA 0.394 4.921 4.527 0.001 0.000 0.316 194 F C 0.233 175.980 175.800 -0.089 0.000 1.081 194 F CA -1.095 56.882 58.000 -0.039 0.000 0.954 194 F CB 1.431 40.352 39.000 -0.132 0.000 1.337 194 F HN 0.087 nan 8.300 nan 0.000 0.474 195 D N 0.847 121.323 120.400 0.127 0.000 2.193 195 D HA 0.611 5.252 4.640 0.001 0.000 0.249 195 D C -1.052 175.176 176.300 -0.120 0.000 1.034 195 D CA 0.028 54.040 54.000 0.020 0.000 0.902 195 D CB 2.226 43.039 40.800 0.022 0.000 1.182 195 D HN 0.169 nan 8.370 nan 0.000 0.436 196 V N 2.778 122.575 119.914 -0.196 0.000 2.577 196 V HA 0.274 4.394 4.120 0.001 0.000 0.303 196 V C -0.477 175.463 176.094 -0.256 0.000 1.042 196 V CA -0.947 61.115 62.300 -0.396 0.000 0.872 196 V CB 1.929 33.389 31.823 -0.605 0.000 0.998 196 V HN 0.315 nan 8.190 nan 0.000 0.423 197 L N 6.105 127.170 121.223 -0.263 0.000 2.264 197 L HA 0.644 4.985 4.340 0.001 0.000 0.289 197 L C -0.004 176.760 176.870 -0.176 0.000 1.044 197 L CA 0.114 54.854 54.840 -0.167 0.000 0.807 197 L CB 0.826 42.805 42.059 -0.133 0.000 1.192 197 L HN 0.629 nan 8.230 nan 0.000 0.425 198 R N 3.820 124.250 120.500 -0.116 0.000 2.514 198 R HA 0.641 4.981 4.340 0.001 0.000 0.301 198 R C -1.096 175.175 176.300 -0.048 0.000 0.962 198 R CA -0.784 55.266 56.100 -0.084 0.000 0.882 198 R CB 1.743 32.011 30.300 -0.054 0.000 1.143 198 R HN 0.619 nan 8.270 nan 0.000 0.452 199 D N 0.053 120.433 120.400 -0.033 0.000 2.825 199 D HA 0.382 5.023 4.640 0.001 0.000 0.327 199 D C -1.258 175.050 176.300 0.014 0.000 1.277 199 D CA -0.160 53.832 54.000 -0.014 0.000 0.950 199 D CB 2.353 43.136 40.800 -0.029 0.000 1.438 199 D HN 0.538 nan 8.370 nan 0.000 0.526 200 T N -1.897 112.676 114.554 0.032 0.000 2.900 200 T HA 0.691 5.042 4.350 0.001 0.000 0.303 200 T C -1.372 173.395 174.700 0.112 0.000 1.142 200 T CA -0.745 61.394 62.100 0.065 0.000 1.007 200 T CB 1.350 70.243 68.868 0.041 0.000 1.156 200 T HN 0.255 nan 8.240 nan 0.000 0.490 201 F N 1.159 121.095 119.950 -0.023 0.000 2.561 201 F HA 0.617 5.145 4.527 0.001 0.000 0.313 201 F C -0.790 175.019 175.800 0.015 0.000 1.126 201 F CA -0.331 57.650 58.000 -0.031 0.000 0.918 201 F CB 2.291 41.238 39.000 -0.088 0.000 1.199 201 F HN 0.762 nan 8.300 nan 0.000 0.444 202 T N 4.281 118.438 114.554 -0.661 0.000 2.758 202 T HA 0.342 4.693 4.350 0.001 0.000 0.285 202 T C 0.151 174.520 174.700 -0.553 0.000 0.981 202 T CA -0.494 61.374 62.100 -0.387 0.000 0.965 202 T CB 0.870 69.584 68.868 -0.257 0.000 0.927 202 T HN 0.760 nan 8.240 nan 0.000 0.448 203 T N 0.996 115.495 114.554 -0.092 0.000 2.748 203 T HA 0.161 4.512 4.350 0.001 0.000 0.304 203 T C 1.534 176.242 174.700 0.014 0.000 1.041 203 T CA -0.622 61.543 62.100 0.107 0.000 1.033 203 T CB 0.743 69.768 68.868 0.263 0.000 0.995 203 T HN 0.612 nan 8.240 nan 0.000 0.536 204 R N 0.422 120.971 120.500 0.082 0.000 2.117 204 R HA -0.132 4.209 4.340 0.001 0.000 0.243 204 R C 2.260 178.578 176.300 0.030 0.000 1.143 204 R CA 1.976 58.102 56.100 0.043 0.000 0.968 204 R CB -0.683 29.656 30.300 0.066 0.000 0.863 204 R HN 0.838 nan 8.270 nan 0.000 0.444 205 S N -1.775 113.956 115.700 0.053 0.000 2.593 205 S HA 0.180 4.650 4.470 0.001 0.000 0.217 205 S C 1.113 175.734 174.600 0.035 0.000 0.966 205 S CA 0.309 58.536 58.200 0.043 0.000 0.914 205 S CB 0.849 64.084 63.200 0.058 0.000 0.776 205 S HN 0.602 nan 8.310 nan 0.000 0.523 206 G N 1.252 110.068 108.800 0.026 0.000 2.163 206 G HA2 -0.250 3.711 3.960 0.001 0.000 0.213 206 G HA3 -0.250 3.711 3.960 0.001 0.000 0.213 206 G C 0.027 174.948 174.900 0.035 0.000 0.991 206 G CA -0.196 44.913 45.100 0.014 0.000 0.653 206 G HN 0.675 nan 8.290 nan 0.000 0.518 207 R N 1.203 121.746 120.500 0.072 0.000 2.316 207 R HA 0.420 4.761 4.340 0.001 0.000 0.314 207 R C 0.202 176.568 176.300 0.111 0.000 1.069 207 R CA -0.199 55.964 56.100 0.105 0.000 0.959 207 R CB 0.300 30.692 30.300 0.152 0.000 0.987 207 R HN 0.391 nan 8.270 nan 0.000 0.446 208 E N 4.116 124.373 120.200 0.095 0.000 2.152 208 E HA 0.158 4.509 4.350 0.001 0.000 0.285 208 E C -1.198 175.495 176.600 0.155 0.000 1.043 208 E CA -0.605 55.849 56.400 0.091 0.000 0.839 208 E CB 1.024 30.759 29.700 0.058 0.000 1.069 208 E HN 0.315 nan 8.360 nan 0.000 0.399 209 V N 3.714 123.751 119.914 0.205 0.000 2.398 209 V HA 0.451 4.572 4.120 0.001 0.000 0.286 209 V C 0.158 176.368 176.094 0.194 0.000 1.026 209 V CA -0.846 61.613 62.300 0.264 0.000 0.868 209 V CB 1.272 33.320 31.823 0.376 0.000 0.982 209 V HN 0.812 nan 8.190 nan 0.000 0.443 210 A N 6.636 129.566 122.820 0.182 0.000 2.362 210 A HA 0.714 5.034 4.320 0.001 0.000 0.276 210 A C -0.393 177.271 177.584 0.133 0.000 1.153 210 A CA -0.240 51.878 52.037 0.135 0.000 0.813 210 A CB -0.004 19.076 19.000 0.133 0.000 1.081 210 A HN 0.822 nan 8.150 nan 0.000 0.507 211 L N 2.688 123.955 121.223 0.073 0.000 2.307 211 L HA 0.511 4.851 4.340 0.001 0.000 0.284 211 L C -0.124 176.743 176.870 -0.004 0.000 1.023 211 L CA -0.198 54.662 54.840 0.033 0.000 0.810 211 L CB 1.407 43.440 42.059 -0.044 0.000 1.231 211 L HN 0.734 nan 8.230 nan 0.000 0.423 212 E N 3.838 124.039 120.200 0.002 0.000 2.241 212 E HA 0.412 4.763 4.350 0.001 0.000 0.263 212 E C -1.474 175.029 176.600 -0.162 0.000 0.882 212 E CA -0.800 55.531 56.400 -0.115 0.000 0.769 212 E CB 3.099 32.776 29.700 -0.040 0.000 1.185 212 E HN 0.227 nan 8.360 nan 0.000 0.415 213 L N 3.894 124.938 121.223 -0.298 0.000 2.294 213 L HA 0.389 4.730 4.340 0.001 0.000 0.283 213 L C -1.747 174.886 176.870 -0.394 0.000 1.015 213 L CA -0.540 54.144 54.840 -0.259 0.000 0.831 213 L CB 0.207 42.133 42.059 -0.222 0.000 1.217 213 L HN 0.429 nan 8.230 nan 0.000 0.420 214 Y N 4.919 125.023 120.300 -0.327 0.000 2.326 214 Y HA 0.611 5.161 4.550 0.001 0.000 0.337 214 Y C 0.381 176.079 175.900 -0.337 0.000 1.023 214 Y CA -0.441 57.397 58.100 -0.438 0.000 1.143 214 Y CB 1.521 39.492 38.460 -0.815 0.000 1.183 214 Y HN 0.520 nan 8.280 nan 0.000 0.485 215 V N -0.913 118.982 119.914 -0.032 0.000 3.130 215 V HA 0.552 4.673 4.120 0.001 0.000 0.310 215 V C -0.631 175.607 176.094 0.239 0.000 1.158 215 V CA -1.288 61.050 62.300 0.063 0.000 1.029 215 V CB 1.987 33.808 31.823 -0.003 0.000 1.057 215 V HN 0.496 nan 8.190 nan 0.000 0.436 216 D N 1.824 122.352 120.400 0.214 0.000 2.400 216 D HA 0.187 4.827 4.640 0.001 0.000 0.238 216 D C 0.353 176.715 176.300 0.102 0.000 1.157 216 D CA 0.098 54.205 54.000 0.179 0.000 0.889 216 D CB 0.431 41.300 40.800 0.115 0.000 1.199 216 D HN 0.438 nan 8.370 nan 0.000 0.436 217 R N 0.690 121.229 120.500 0.066 0.000 2.537 217 R HA 0.240 4.580 4.340 0.001 0.000 0.281 217 R C 1.266 177.586 176.300 0.034 0.000 0.988 217 R CA 0.685 56.812 56.100 0.045 0.000 1.077 217 R CB -0.267 30.049 30.300 0.026 0.000 0.932 217 R HN 0.804 nan 8.270 nan 0.000 0.409 218 G N 2.638 111.455 108.800 0.027 0.000 2.176 218 G HA2 -0.303 3.658 3.960 0.001 0.000 0.232 218 G HA3 -0.303 3.658 3.960 0.001 0.000 0.232 218 G C 0.575 175.486 174.900 0.018 0.000 0.986 218 G CA 0.255 45.367 45.100 0.019 0.000 0.643 218 G HN 0.685 nan 8.290 nan 0.000 0.522 219 N N -0.165 118.548 118.700 0.020 0.000 2.230 219 N HA 0.342 5.083 4.740 0.001 0.000 0.202 219 N C 2.027 177.538 175.510 0.001 0.000 1.119 219 N CA -0.259 52.798 53.050 0.012 0.000 0.851 219 N CB 0.117 38.614 38.487 0.016 0.000 0.990 219 N HN 0.359 nan 8.380 nan 0.000 0.497 220 L N 1.222 122.445 121.223 -0.000 0.000 2.127 220 L HA -0.195 4.145 4.340 0.001 0.000 0.211 220 L C 1.786 178.655 176.870 -0.002 0.000 1.089 220 L CA 1.069 55.902 54.840 -0.011 0.000 0.757 220 L CB -0.372 41.680 42.059 -0.011 0.000 0.899 220 L HN 0.351 nan 8.230 nan 0.000 0.434 221 D N -0.335 120.070 120.400 0.007 0.000 2.392 221 D HA -0.185 4.455 4.640 0.001 0.000 0.228 221 D C 1.550 177.864 176.300 0.023 0.000 1.003 221 D CA 0.765 54.775 54.000 0.017 0.000 0.917 221 D CB -0.109 40.703 40.800 0.019 0.000 0.890 221 D HN 0.292 nan 8.370 nan 0.000 0.532 222 R N -0.533 119.973 120.500 0.011 0.000 2.577 222 R HA 0.454 4.794 4.340 0.001 0.000 0.344 222 R C 1.016 177.320 176.300 0.006 0.000 1.037 222 R CA 0.307 56.411 56.100 0.007 0.000 1.102 222 R CB 0.978 31.268 30.300 -0.017 0.000 1.313 222 R HN 0.164 nan 8.270 nan 0.000 0.561 223 A N 1.309 124.130 122.820 0.003 0.000 2.063 223 A HA 0.197 4.517 4.320 0.001 0.000 0.211 223 A C -0.930 176.651 177.584 -0.005 0.000 1.177 223 A CA 0.137 52.159 52.037 -0.024 0.000 0.759 223 A CB -0.344 18.620 19.000 -0.060 0.000 0.857 223 A HN 0.022 nan 8.150 nan 0.000 0.468 224 P HA -0.224 nan 4.420 nan 0.000 0.216 224 P C 1.531 178.904 177.300 0.122 0.000 1.153 224 P CA 1.277 64.416 63.100 0.065 0.000 0.858 224 P CB -0.224 31.532 31.700 0.095 0.000 0.789 225 W N 0.498 121.805 121.300 0.013 0.000 2.358 225 W HA -0.175 4.485 4.660 0.001 0.000 0.303 225 W C 1.974 178.487 176.519 -0.010 0.000 1.208 225 W CA 1.329 58.702 57.345 0.048 0.000 1.274 225 W CB -0.428 29.112 29.460 0.133 0.000 1.138 225 W HN -0.087 nan 8.180 nan 0.000 0.515 226 A N 0.834 123.542 122.820 -0.187 0.000 1.902 226 A HA -0.273 4.048 4.320 0.001 0.000 0.217 226 A C 1.851 179.211 177.584 -0.373 0.000 1.181 226 A CA 2.110 53.940 52.037 -0.345 0.000 0.623 226 A CB -0.988 17.869 19.000 -0.238 0.000 0.818 226 A HN 0.385 nan 8.150 nan 0.000 0.443 227 M N -0.003 119.442 119.600 -0.259 0.000 2.117 227 M HA -0.087 4.393 4.480 0.001 0.000 0.262 227 M C 1.958 178.100 176.300 -0.263 0.000 1.065 227 M CA 2.455 57.612 55.300 -0.239 0.000 1.114 227 M CB -1.009 31.502 32.600 -0.149 0.000 1.361 227 M HN 0.341 nan 8.290 nan 0.000 0.408 228 T N -0.198 114.202 114.554 -0.256 0.000 2.746 228 T HA -0.091 4.260 4.350 0.001 0.000 0.267 228 T C 1.891 176.350 174.700 -0.403 0.000 1.039 228 T CA 1.792 63.741 62.100 -0.252 0.000 1.142 228 T CB -0.386 68.388 68.868 -0.156 0.000 0.866 228 T HN 0.440 nan 8.240 nan 0.000 0.444 229 S N 1.207 116.514 115.700 -0.654 0.000 2.402 229 S HA -0.006 4.464 4.470 0.001 0.000 0.229 229 S C 1.903 176.265 174.600 -0.398 0.000 1.021 229 S CA 0.507 58.361 58.200 -0.577 0.000 0.974 229 S CB -0.406 62.359 63.200 -0.726 0.000 0.800 229 S HN 0.272 nan 8.310 nan 0.000 0.484 230 L N 2.082 123.029 121.223 -0.460 0.000 2.017 230 L HA -0.030 4.311 4.340 0.001 0.000 0.208 230 L C 1.912 178.390 176.870 -0.654 0.000 1.073 230 L CA 1.838 56.327 54.840 -0.584 0.000 0.745 230 L CB -0.552 41.162 42.059 -0.576 0.000 0.894 230 L HN 0.090 nan 8.230 nan 0.000 0.432 231 K N -0.532 119.594 120.400 -0.458 0.000 2.097 231 K HA -0.134 4.187 4.320 0.001 0.000 0.206 231 K C 1.885 178.307 176.600 -0.298 0.000 1.049 231 K CA 1.381 57.437 56.287 -0.386 0.000 0.933 231 K CB -0.316 32.147 32.500 -0.063 0.000 0.717 231 K HN 0.381 nan 8.250 nan 0.000 0.442 232 N N 0.592 119.198 118.700 -0.157 0.000 2.166 232 N HA -0.090 4.650 4.740 0.001 0.000 0.186 232 N C 1.755 177.318 175.510 0.087 0.000 1.019 232 N CA 1.115 54.201 53.050 0.060 0.000 0.856 232 N CB -0.223 38.353 38.487 0.149 0.000 0.993 232 N HN 0.032 nan 8.380 nan 0.000 0.426 233 S N 0.988 116.535 115.700 -0.255 0.000 2.368 233 S HA 0.001 4.472 4.470 0.001 0.000 0.224 233 S C 2.031 176.411 174.600 -0.368 0.000 1.029 233 S CA 0.891 58.749 58.200 -0.569 0.000 0.988 233 S CB -0.093 62.557 63.200 -0.917 0.000 0.838 233 S HN 0.310 nan 8.310 nan 0.000 0.462 234 M N 0.893 119.978 119.600 -0.857 0.000 2.117 234 M HA -0.103 4.377 4.480 0.001 0.000 0.262 234 M C 2.257 178.381 176.300 -0.293 0.000 1.065 234 M CA 1.324 56.060 55.300 -0.940 0.000 1.114 234 M CB -0.332 31.198 32.600 -1.784 0.000 1.361 234 M HN 0.069 nan 8.290 nan 0.000 0.408 235 K N -0.042 120.277 120.400 -0.135 0.000 2.057 235 K HA -0.201 4.120 4.320 0.001 0.000 0.207 235 K C 1.630 178.387 176.600 0.262 0.000 1.049 235 K CA 1.569 58.006 56.287 0.250 0.000 0.931 235 K CB -0.600 32.090 32.500 0.317 0.000 0.714 235 K HN 0.455 nan 8.250 nan 0.000 0.440 236 W N 1.381 122.759 121.300 0.129 0.000 2.358 236 W HA -0.141 4.520 4.660 0.001 0.000 0.303 236 W C 1.562 178.174 176.519 0.156 0.000 1.208 236 W CA 1.834 59.293 57.345 0.190 0.000 1.274 236 W CB -0.385 29.285 29.460 0.349 0.000 1.138 236 W HN 0.182 nan 8.180 nan 0.000 0.515 237 D N 0.154 120.715 120.400 0.268 0.000 2.178 237 D HA -0.183 4.458 4.640 0.001 0.000 0.201 237 D C 1.853 178.136 176.300 -0.029 0.000 0.980 237 D CA 1.504 55.526 54.000 0.036 0.000 0.842 237 D CB -0.140 40.893 40.800 0.389 0.000 0.948 237 D HN 0.388 nan 8.370 nan 0.000 0.472 238 E N 0.094 120.330 120.200 0.060 0.000 2.028 238 E HA -0.133 4.217 4.350 0.001 0.000 0.191 238 E C 2.085 178.661 176.600 -0.039 0.000 0.988 238 E CA 0.779 57.207 56.400 0.048 0.000 0.799 238 E CB 0.016 29.799 29.700 0.139 0.000 0.755 238 E HN 0.422 nan 8.360 nan 0.000 0.447 239 E N 0.398 120.559 120.200 -0.065 0.000 2.051 239 E HA -0.203 4.148 4.350 0.001 0.000 0.192 239 E C 2.214 178.675 176.600 -0.231 0.000 0.991 239 E CA 0.925 57.260 56.400 -0.108 0.000 0.799 239 E CB -0.028 29.641 29.700 -0.051 0.000 0.748 239 E HN -0.054 nan 8.360 nan 0.000 0.449 240 R N -0.023 120.193 120.500 -0.473 0.000 2.080 240 R HA -0.002 4.339 4.340 0.001 0.000 0.222 240 R C 1.330 177.337 176.300 -0.488 0.000 1.107 240 R CA 1.185 56.942 56.100 -0.573 0.000 0.980 240 R CB -0.055 29.584 30.300 -1.102 0.000 0.879 240 R HN 0.085 nan 8.270 nan 0.000 0.439 241 F N -0.915 118.770 119.950 -0.442 0.000 2.704 241 F HA 0.377 4.905 4.527 0.001 0.000 0.304 241 F C 1.202 176.891 175.800 -0.185 0.000 1.094 241 F CA 0.376 58.237 58.000 -0.232 0.000 1.275 241 F CB 0.967 39.846 39.000 -0.201 0.000 1.073 241 F HN 0.268 nan 8.300 nan 0.000 0.586 242 G N 1.665 110.432 108.800 -0.056 0.000 2.198 242 G HA2 -0.296 3.664 3.960 0.001 0.000 0.260 242 G HA3 -0.296 3.664 3.960 0.001 0.000 0.260 242 G C -0.139 174.677 174.900 -0.140 0.000 1.025 242 G CA -0.008 45.046 45.100 -0.077 0.000 0.769 242 G HN 0.285 nan 8.290 nan 0.000 0.507 243 L N -0.203 120.931 121.223 -0.148 0.000 2.307 243 L HA 0.638 4.979 4.340 0.001 0.000 0.284 243 L C 0.404 177.287 176.870 0.022 0.000 1.023 243 L CA -0.778 53.873 54.840 -0.313 0.000 0.810 243 L CB 1.594 43.310 42.059 -0.571 0.000 1.231 243 L HN 0.163 nan 8.230 nan 0.000 0.423 244 E N 1.071 121.353 120.200 0.137 0.000 2.221 244 E HA 0.276 4.627 4.350 0.001 0.000 0.268 244 E C -1.364 175.567 176.600 0.551 0.000 0.933 244 E CA -0.917 55.689 56.400 0.344 0.000 0.809 244 E CB 2.424 32.282 29.700 0.264 0.000 1.190 244 E HN 0.314 nan 8.360 nan 0.000 0.406 245 Y N 2.390 122.933 120.300 0.404 0.000 2.457 245 Y HA -0.044 4.506 4.550 0.001 0.000 0.341 245 Y C 0.782 176.833 175.900 0.253 0.000 1.240 245 Y CA 0.164 58.472 58.100 0.347 0.000 1.437 245 Y CB 0.612 39.297 38.460 0.376 0.000 1.328 245 Y HN 0.526 nan 8.280 nan 0.000 0.588 246 D N 2.455 122.549 120.400 -0.510 0.000 2.433 246 D HA 0.139 4.780 4.640 0.001 0.000 0.211 246 D C -0.274 175.833 176.300 -0.320 0.000 1.114 246 D CA 0.283 54.085 54.000 -0.331 0.000 0.837 246 D CB -0.111 40.449 40.800 -0.400 0.000 0.984 246 D HN 0.394 nan 8.370 nan 0.000 0.505 247 L N -0.255 120.522 121.223 -0.744 0.000 2.235 247 L HA 0.376 4.716 4.340 0.001 0.000 0.260 247 L C 0.192 177.112 176.870 0.083 0.000 1.025 247 L CA -0.821 53.876 54.840 -0.238 0.000 0.836 247 L CB 1.868 43.814 42.059 -0.188 0.000 1.395 247 L HN -0.328 nan 8.230 nan 0.000 0.443 248 D N -0.132 120.381 120.400 0.187 0.000 2.305 248 D HA 0.201 4.841 4.640 0.001 0.000 0.206 248 D C -0.054 176.425 176.300 0.298 0.000 0.974 248 D CA 0.597 54.734 54.000 0.228 0.000 0.871 248 D CB 0.962 41.856 40.800 0.157 0.000 0.947 248 D HN 0.177 nan 8.370 nan 0.000 0.516 249 I N -0.654 120.134 120.570 0.362 0.000 2.769 249 I HA 0.400 4.570 4.170 0.001 0.000 0.298 249 I C -1.946 174.403 176.117 0.386 0.000 1.128 249 I CA -1.271 60.229 61.300 0.333 0.000 1.031 249 I CB 2.329 40.493 38.000 0.272 0.000 1.235 249 I HN -0.188 nan 8.210 nan 0.000 0.423 250 Y N 7.442 127.814 120.300 0.120 0.000 2.332 250 Y HA 0.574 5.125 4.550 0.001 0.000 0.326 250 Y C -1.118 174.763 175.900 -0.031 0.000 0.978 250 Y CA -0.703 57.376 58.100 -0.035 0.000 1.205 250 Y CB 1.490 39.754 38.460 -0.328 0.000 1.131 250 Y HN 0.452 nan 8.280 nan 0.000 0.462 251 M N 6.880 126.417 119.600 -0.104 0.000 2.404 251 M HA 0.570 5.051 4.480 0.001 0.000 0.338 251 M C -1.232 175.014 176.300 -0.091 0.000 1.150 251 M CA -0.529 54.763 55.300 -0.012 0.000 1.016 251 M CB 2.025 34.587 32.600 -0.064 0.000 1.672 251 M HN 0.481 nan 8.290 nan 0.000 0.448 252 I N 2.278 122.833 120.570 -0.025 0.000 2.533 252 I HA 0.500 4.670 4.170 0.001 0.000 0.290 252 I C -1.148 174.887 176.117 -0.138 0.000 1.056 252 I CA -0.968 60.258 61.300 -0.124 0.000 1.057 252 I CB 2.357 40.200 38.000 -0.261 0.000 1.240 252 I HN 0.321 nan 8.210 nan 0.000 0.423 253 V N 4.935 124.728 119.914 -0.201 0.000 2.487 253 V HA 0.599 4.719 4.120 0.001 0.000 0.298 253 V C 0.184 176.154 176.094 -0.207 0.000 1.028 253 V CA -0.637 61.498 62.300 -0.276 0.000 0.860 253 V CB 1.701 33.255 31.823 -0.448 0.000 0.991 253 V HN 0.807 nan 8.190 nan 0.000 0.427 254 A N 5.201 127.920 122.820 -0.168 0.000 2.269 254 A HA 0.779 5.099 4.320 0.001 0.000 0.302 254 A C -0.217 177.339 177.584 -0.047 0.000 1.266 254 A CA -0.398 51.586 52.037 -0.089 0.000 0.894 254 A CB 0.756 19.716 19.000 -0.067 0.000 1.147 254 A HN 1.308 nan 8.150 nan 0.000 0.537 255 V N 0.225 120.104 119.914 -0.058 0.000 2.815 255 V HA 0.529 4.649 4.120 0.001 0.000 0.314 255 V C 0.113 176.243 176.094 0.059 0.000 1.064 255 V CA -0.674 61.649 62.300 0.038 0.000 0.952 255 V CB 1.890 33.740 31.823 0.045 0.000 1.020 255 V HN 0.716 nan 8.190 nan 0.000 0.439 256 D N 1.532 121.990 120.400 0.096 0.000 2.213 256 D HA 0.099 4.739 4.640 0.001 0.000 0.205 256 D C 0.117 176.283 176.300 -0.223 0.000 0.961 256 D CA 1.643 55.589 54.000 -0.090 0.000 0.853 256 D CB 0.100 40.791 40.800 -0.181 0.000 0.967 256 D HN 0.589 nan 8.370 nan 0.000 0.496 257 F N 0.444 120.511 119.950 0.195 0.000 2.332 257 F HA 0.360 4.888 4.527 0.001 0.000 0.368 257 F C -0.427 175.621 175.800 0.414 0.000 1.110 257 F CA -0.816 57.326 58.000 0.237 0.000 1.087 257 F CB 0.763 39.911 39.000 0.246 0.000 1.235 257 F HN -0.325 nan 8.300 nan 0.000 0.470 258 F N 3.203 123.254 119.950 0.169 0.000 2.651 258 F HA 0.328 4.856 4.527 0.001 0.000 0.329 258 F C 0.466 176.276 175.800 0.017 0.000 1.186 258 F CA -0.981 57.097 58.000 0.131 0.000 1.046 258 F CB 1.191 40.262 39.000 0.119 0.000 1.296 258 F HN 0.216 nan 8.300 nan 0.000 0.497 259 N N 3.273 121.776 118.700 -0.329 0.000 2.188 259 N HA -0.029 4.711 4.740 0.001 0.000 0.184 259 N C 0.584 175.950 175.510 -0.240 0.000 1.018 259 N CA 1.144 54.028 53.050 -0.276 0.000 0.858 259 N CB 0.077 38.359 38.487 -0.341 0.000 0.989 259 N HN 0.382 nan 8.380 nan 0.000 0.426 260 M N -1.073 118.292 119.600 -0.391 0.000 2.369 260 M HA 0.271 4.751 4.480 0.001 0.000 0.291 260 M C 1.880 178.290 176.300 0.184 0.000 1.178 260 M CA -0.363 54.849 55.300 -0.146 0.000 0.996 260 M CB -0.339 32.136 32.600 -0.210 0.000 1.472 260 M HN -0.013 nan 8.290 nan 0.000 0.496 261 G N 0.138 109.057 108.800 0.198 0.000 2.394 261 G HA2 0.325 4.286 3.960 0.001 0.000 0.215 261 G HA3 0.325 4.286 3.960 0.001 0.000 0.215 261 G C 0.246 175.316 174.900 0.282 0.000 1.165 261 G CA 0.911 46.233 45.100 0.370 0.000 0.784 261 G HN 0.882 nan 8.290 nan 0.000 0.535 262 A N -1.964 120.920 122.820 0.107 0.000 2.566 262 A HA 0.719 5.039 4.320 0.001 0.000 0.290 262 A C -1.747 175.857 177.584 0.034 0.000 1.071 262 A CA -0.494 51.408 52.037 -0.224 0.000 0.658 262 A CB 1.344 19.603 19.000 -1.236 0.000 1.285 262 A HN 0.411 nan 8.150 nan 0.000 0.427 263 M N 1.170 120.761 119.600 -0.016 0.000 2.324 263 M HA 0.414 4.894 4.480 0.001 0.000 0.288 263 M C -0.012 176.329 176.300 0.068 0.000 1.097 263 M CA -0.334 55.041 55.300 0.125 0.000 0.928 263 M CB 1.993 34.768 32.600 0.292 0.000 1.648 263 M HN 0.745 nan 8.290 nan 0.000 0.460 264 E N 2.616 122.861 120.200 0.074 0.000 2.301 264 E HA 0.042 4.392 4.350 0.001 0.000 0.195 264 E C -0.943 175.632 176.600 -0.041 0.000 1.171 264 E CA -0.057 56.375 56.400 0.054 0.000 1.142 264 E CB -0.885 28.848 29.700 0.055 0.000 1.218 264 E HN 0.671 nan 8.360 nan 0.000 0.448 265 N N 2.325 120.982 118.700 -0.071 0.000 2.292 265 N HA -0.095 4.645 4.740 0.001 0.000 0.258 265 N C 0.088 175.462 175.510 -0.227 0.000 1.261 265 N CA 0.393 53.337 53.050 -0.177 0.000 0.845 265 N CB 0.462 38.820 38.487 -0.215 0.000 1.064 265 N HN 0.133 nan 8.380 nan 0.000 0.471 266 K N 1.485 121.732 120.400 -0.256 0.000 2.405 266 K HA -0.008 4.313 4.320 0.001 0.000 0.273 266 K C 1.188 177.642 176.600 -0.243 0.000 1.116 266 K CA 1.011 57.155 56.287 -0.239 0.000 1.155 266 K CB -0.709 31.652 32.500 -0.232 0.000 0.858 266 K HN 0.728 nan 8.250 nan 0.000 0.477 267 G N 3.086 111.728 108.800 -0.263 0.000 2.196 267 G HA2 -0.275 3.685 3.960 0.001 0.000 0.268 267 G HA3 -0.275 3.685 3.960 0.001 0.000 0.268 267 G C -0.139 174.519 174.900 -0.403 0.000 0.975 267 G CA 0.578 45.502 45.100 -0.293 0.000 0.648 267 G HN 0.635 nan 8.290 nan 0.000 0.538 268 L N 1.061 122.043 121.223 -0.401 0.000 2.448 268 L HA 0.431 4.771 4.340 0.001 0.000 0.257 268 L C -0.105 176.593 176.870 -0.287 0.000 1.504 268 L CA -1.074 53.538 54.840 -0.381 0.000 0.852 268 L CB -0.200 41.584 42.059 -0.460 0.000 1.051 268 L HN 0.258 nan 8.230 nan 0.000 0.518 269 N N 3.166 121.744 118.700 -0.204 0.000 2.492 269 N HA 0.432 5.172 4.740 0.001 0.000 0.260 269 N C -0.733 174.792 175.510 0.024 0.000 1.215 269 N CA -0.060 52.997 53.050 0.012 0.000 0.923 269 N CB 1.151 39.829 38.487 0.318 0.000 1.092 269 N HN 0.391 nan 8.380 nan 0.000 0.448 270 I N 2.525 123.105 120.570 0.017 0.000 2.406 270 I HA 0.337 4.507 4.170 0.001 0.000 0.290 270 I C -0.980 174.979 176.117 -0.263 0.000 0.999 270 I CA -0.533 60.669 61.300 -0.164 0.000 1.124 270 I CB 0.903 38.748 38.000 -0.257 0.000 1.289 270 I HN 0.299 nan 8.210 nan 0.000 0.441 271 F N 4.368 124.009 119.950 -0.515 0.000 2.508 271 F HA 0.361 4.888 4.527 0.001 0.000 0.325 271 F C 0.582 176.117 175.800 -0.441 0.000 1.090 271 F CA -0.880 56.891 58.000 -0.381 0.000 0.945 271 F CB 1.352 40.270 39.000 -0.136 0.000 1.156 271 F HN 0.392 nan 8.300 nan 0.000 0.463 272 N N 0.928 119.588 118.700 -0.067 0.000 2.497 272 N HA -0.053 4.687 4.740 0.001 0.000 0.268 272 N C 1.097 176.644 175.510 0.062 0.000 1.171 272 N CA 0.582 53.661 53.050 0.047 0.000 0.948 272 N CB 1.332 39.926 38.487 0.177 0.000 1.069 272 N HN 0.741 nan 8.380 nan 0.000 0.460 273 S N 3.687 119.390 115.700 0.005 0.000 2.440 273 S HA -0.240 4.231 4.470 0.001 0.000 0.240 273 S C 1.564 176.145 174.600 -0.032 0.000 1.014 273 S CA 1.374 59.571 58.200 -0.005 0.000 0.980 273 S CB -0.291 62.892 63.200 -0.028 0.000 0.775 273 S HN 0.828 nan 8.310 nan 0.000 0.499 274 K N -0.119 120.212 120.400 -0.115 0.000 2.209 274 K HA -0.114 4.207 4.320 0.001 0.000 0.204 274 K C 0.620 177.091 176.600 -0.214 0.000 1.048 274 K CA 1.208 57.352 56.287 -0.238 0.000 0.940 274 K CB -0.479 31.768 32.500 -0.421 0.000 0.729 274 K HN 0.477 nan 8.250 nan 0.000 0.451 275 Y N 0.567 120.927 120.300 0.101 0.000 2.625 275 Y HA 0.219 4.769 4.550 0.001 0.000 0.285 275 Y C 1.100 177.110 175.900 0.182 0.000 1.168 275 Y CA -0.669 57.531 58.100 0.167 0.000 1.250 275 Y CB 0.790 39.381 38.460 0.218 0.000 1.130 275 Y HN -0.105 nan 8.280 nan 0.000 0.526 276 V N -1.854 118.163 119.914 0.172 0.000 3.415 276 V HA 0.093 4.214 4.120 0.001 0.000 0.204 276 V C 0.501 176.590 176.094 -0.009 0.000 1.365 276 V CA -0.231 62.082 62.300 0.022 0.000 1.310 276 V CB 0.287 32.070 31.823 -0.067 0.000 1.231 276 V HN -0.093 nan 8.190 nan 0.000 0.538 277 L N 2.152 123.359 121.223 -0.026 0.000 2.418 277 L HA 0.612 4.952 4.340 0.001 0.000 0.274 277 L C -0.099 176.712 176.870 -0.098 0.000 1.135 277 L CA 0.376 55.185 54.840 -0.051 0.000 0.870 277 L CB 0.296 42.324 42.059 -0.052 0.000 1.154 277 L HN 0.368 nan 8.230 nan 0.000 0.462 278 A N 5.121 127.875 122.820 -0.109 0.000 2.566 278 A HA 0.827 5.148 4.320 0.001 0.000 0.297 278 A C -0.920 176.589 177.584 -0.125 0.000 1.059 278 A CA -0.816 51.074 52.037 -0.245 0.000 0.691 278 A CB 1.816 20.459 19.000 -0.595 0.000 1.282 278 A HN 0.827 nan 8.150 nan 0.000 0.401 279 R N -0.233 120.215 120.500 -0.086 0.000 2.710 279 R HA 0.621 4.962 4.340 0.001 0.000 0.270 279 R C 0.588 176.938 176.300 0.083 0.000 1.021 279 R CA -0.084 56.051 56.100 0.058 0.000 0.889 279 R CB 0.835 31.154 30.300 0.032 0.000 1.243 279 R HN 0.822 nan 8.270 nan 0.000 0.464 280 T N -2.405 112.218 114.554 0.114 0.000 2.822 280 T HA -0.210 4.140 4.350 0.001 0.000 0.270 280 T C 1.057 175.668 174.700 -0.149 0.000 1.064 280 T CA 1.758 63.842 62.100 -0.026 0.000 1.131 280 T CB -0.482 68.315 68.868 -0.119 0.000 0.858 280 T HN 0.765 nan 8.240 nan 0.000 0.483 281 D N 1.140 121.492 120.400 -0.080 0.000 2.350 281 D HA -0.011 4.629 4.640 0.001 0.000 0.213 281 D C 1.808 177.972 176.300 -0.227 0.000 1.031 281 D CA 1.054 55.013 54.000 -0.069 0.000 0.861 281 D CB -0.357 40.503 40.800 0.100 0.000 0.926 281 D HN 0.654 nan 8.370 nan 0.000 0.520 282 T N -3.343 111.048 114.554 -0.272 0.000 2.964 282 T HA 0.524 4.875 4.350 0.001 0.000 0.249 282 T C 0.804 175.307 174.700 -0.330 0.000 1.000 282 T CA 0.135 61.949 62.100 -0.478 0.000 0.992 282 T CB 0.408 69.056 68.868 -0.367 0.000 1.087 282 T HN 0.213 nan 8.240 nan 0.000 0.489 283 A N 2.057 124.754 122.820 -0.205 0.000 2.355 283 A HA 0.751 5.072 4.320 0.001 0.000 0.324 283 A C 0.360 177.938 177.584 -0.010 0.000 1.117 283 A CA -0.571 51.370 52.037 -0.160 0.000 0.785 283 A CB 1.322 20.121 19.000 -0.336 0.000 1.254 283 A HN 0.498 nan 8.150 nan 0.000 0.453 284 T N -1.228 113.336 114.554 0.017 0.000 2.897 284 T HA 0.340 4.690 4.350 0.001 0.000 0.278 284 T C 0.253 175.083 174.700 0.217 0.000 0.981 284 T CA -0.219 61.932 62.100 0.084 0.000 0.973 284 T CB 0.722 69.613 68.868 0.039 0.000 1.092 284 T HN 0.451 nan 8.240 nan 0.000 0.543 285 D N -0.025 120.475 120.400 0.167 0.000 2.123 285 D HA -0.128 4.513 4.640 0.001 0.000 0.196 285 D C 1.853 178.230 176.300 0.128 0.000 0.992 285 D CA 1.346 55.420 54.000 0.123 0.000 0.833 285 D CB -0.147 40.672 40.800 0.033 0.000 0.954 285 D HN 0.722 nan 8.370 nan 0.000 0.455 286 K N 0.650 121.108 120.400 0.097 0.000 2.057 286 K HA -0.162 4.158 4.320 0.001 0.000 0.207 286 K C 1.457 178.126 176.600 0.116 0.000 1.049 286 K CA 1.383 57.723 56.287 0.089 0.000 0.931 286 K CB 0.145 32.682 32.500 0.061 0.000 0.714 286 K HN -0.049 nan 8.250 nan 0.000 0.440 287 D N -0.171 120.284 120.400 0.092 0.000 2.097 287 D HA -0.174 4.467 4.640 0.001 0.000 0.195 287 D C 1.892 178.243 176.300 0.085 0.000 0.989 287 D CA 1.301 55.332 54.000 0.051 0.000 0.827 287 D CB -0.378 40.379 40.800 -0.072 0.000 0.966 287 D HN 0.293 nan 8.370 nan 0.000 0.456 288 Y N 1.022 121.339 120.300 0.029 0.000 2.128 288 Y HA -0.120 4.430 4.550 0.001 0.000 0.284 288 Y C 2.559 178.632 175.900 0.288 0.000 1.154 288 Y CA 0.838 58.943 58.100 0.008 0.000 1.149 288 Y CB -0.363 37.835 38.460 -0.438 0.000 0.976 288 Y HN -0.057 nan 8.280 nan 0.000 0.505 289 L N -0.712 120.694 121.223 0.305 0.000 2.141 289 L HA -0.191 4.149 4.340 0.001 0.000 0.209 289 L C 1.740 178.743 176.870 0.221 0.000 1.094 289 L CA 0.983 55.974 54.840 0.253 0.000 0.763 289 L CB -0.417 41.730 42.059 0.147 0.000 0.908 289 L HN 0.198 nan 8.230 nan 0.000 0.437 290 D N 0.357 120.889 120.400 0.220 0.000 2.149 290 D HA -0.092 4.548 4.640 0.001 0.000 0.201 290 D C 2.312 178.750 176.300 0.229 0.000 0.972 290 D CA 1.098 55.225 54.000 0.211 0.000 0.835 290 D CB 0.092 41.085 40.800 0.321 0.000 0.966 290 D HN 0.279 nan 8.370 nan 0.000 0.476 291 I N 1.020 121.784 120.570 0.322 0.000 2.226 291 I HA -0.228 3.943 4.170 0.001 0.000 0.245 291 I C 2.467 178.696 176.117 0.186 0.000 1.100 291 I CA 1.023 62.503 61.300 0.300 0.000 1.374 291 I CB -0.145 38.054 38.000 0.331 0.000 1.057 291 I HN 0.014 nan 8.210 nan 0.000 0.413 292 E N 1.374 121.723 120.200 0.248 0.000 2.058 292 E HA -0.309 4.042 4.350 0.001 0.000 0.194 292 E C 2.392 179.109 176.600 0.196 0.000 0.997 292 E CA 1.422 57.910 56.400 0.148 0.000 0.801 292 E CB -0.073 29.757 29.700 0.216 0.000 0.746 292 E HN 0.317 nan 8.360 nan 0.000 0.450 293 R N 0.122 120.711 120.500 0.149 0.000 2.073 293 R HA -0.134 4.206 4.340 0.001 0.000 0.234 293 R C 2.221 178.563 176.300 0.070 0.000 1.134 293 R CA 1.765 57.940 56.100 0.126 0.000 0.952 293 R CB -0.180 30.148 30.300 0.047 0.000 0.850 293 R HN 0.140 nan 8.270 nan 0.000 0.433 294 V N 1.182 121.076 119.914 -0.034 0.000 2.488 294 V HA -0.180 3.941 4.120 0.001 0.000 0.246 294 V C 2.446 178.623 176.094 0.137 0.000 1.046 294 V CA 1.079 63.319 62.300 -0.100 0.000 1.053 294 V CB -0.318 31.220 31.823 -0.476 0.000 0.679 294 V HN 0.321 nan 8.190 nan 0.000 0.458 295 I N 1.296 121.991 120.570 0.209 0.000 2.163 295 I HA -0.191 3.980 4.170 0.001 0.000 0.243 295 I C 2.604 178.658 176.117 -0.105 0.000 1.085 295 I CA 2.163 63.557 61.300 0.156 0.000 1.347 295 I CB -1.678 36.253 38.000 -0.115 0.000 1.044 295 I HN 0.400 nan 8.210 nan 0.000 0.408 296 G N -0.439 108.197 108.800 -0.273 0.000 2.421 296 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 296 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 296 G C 1.613 175.840 174.900 -1.122 0.000 1.171 296 G CA 1.286 45.804 45.100 -0.970 0.000 0.775 296 G HN 0.447 nan 8.290 nan 0.000 0.543 297 H N 0.800 119.611 119.070 -0.431 0.000 2.265 297 H HA -0.113 4.443 4.556 0.001 0.000 0.293 297 H C 2.554 177.791 175.328 -0.151 0.000 1.089 297 H CA 2.254 58.190 56.048 -0.188 0.000 1.244 297 H CB 0.163 29.888 29.762 -0.061 0.000 1.355 297 H HN 0.250 nan 8.280 nan 0.000 0.485 298 E N -0.316 119.964 120.200 0.134 0.000 2.110 298 E HA -0.201 4.150 4.350 0.001 0.000 0.193 298 E C 2.100 178.788 176.600 0.147 0.000 0.988 298 E CA 1.043 57.586 56.400 0.238 0.000 0.804 298 E CB -0.758 29.107 29.700 0.275 0.000 0.745 298 E HN 0.649 nan 8.360 nan 0.000 0.458 299 Y N 0.690 120.911 120.300 -0.131 0.000 2.200 299 Y HA -0.161 4.390 4.550 0.001 0.000 0.290 299 Y C 2.030 177.912 175.900 -0.029 0.000 1.137 299 Y CA 1.357 59.365 58.100 -0.153 0.000 1.163 299 Y CB -0.572 37.576 38.460 -0.520 0.000 0.988 299 Y HN -0.042 nan 8.280 nan 0.000 0.518 300 F N -1.302 118.562 119.950 -0.142 0.000 2.269 300 F HA -0.260 4.268 4.527 0.001 0.000 0.301 300 F C 2.308 178.009 175.800 -0.166 0.000 1.082 300 F CA 0.757 58.639 58.000 -0.198 0.000 1.360 300 F CB -0.366 38.517 39.000 -0.195 0.000 1.041 300 F HN 0.177 nan 8.300 nan 0.000 0.512 301 H N 0.134 119.198 119.070 -0.010 0.000 2.518 301 H HA -0.133 4.424 4.556 0.001 0.000 0.289 301 H C 1.848 177.152 175.328 -0.040 0.000 1.051 301 H CA 0.965 57.010 56.048 -0.006 0.000 1.280 301 H CB -0.529 29.234 29.762 0.003 0.000 1.380 301 H HN 0.259 nan 8.280 nan 0.000 0.566 302 N N -0.071 118.615 118.700 -0.023 0.000 2.137 302 N HA -0.189 4.551 4.740 0.001 0.000 0.190 302 N C 1.532 176.826 175.510 -0.360 0.000 1.017 302 N CA 1.524 54.447 53.050 -0.211 0.000 0.859 302 N CB -0.105 38.212 38.487 -0.282 0.000 1.002 302 N HN 0.280 nan 8.380 nan 0.000 0.428 303 W N -0.525 120.727 121.300 -0.080 0.000 2.728 303 W HA 0.233 4.893 4.660 0.001 0.000 0.270 303 W C 0.690 177.337 176.519 0.213 0.000 1.150 303 W CA 0.645 57.956 57.345 -0.056 0.000 1.518 303 W CB -0.519 28.805 29.460 -0.227 0.000 1.069 303 W HN -0.060 nan 8.180 nan 0.000 0.590 304 T N -1.118 113.714 114.554 0.462 0.000 3.579 304 T HA 0.619 4.969 4.350 0.001 0.000 0.328 304 T C 0.649 175.574 174.700 0.374 0.000 1.481 304 T CA 0.317 62.674 62.100 0.429 0.000 1.144 304 T CB -0.015 69.024 68.868 0.285 0.000 1.205 304 T HN 0.334 nan 8.240 nan 0.000 0.812 305 G N 3.046 112.035 108.800 0.316 0.000 3.675 305 G HA2 -0.179 3.781 3.960 0.001 0.000 0.206 305 G HA3 -0.179 3.781 3.960 0.001 0.000 0.206 305 G C 0.815 175.794 174.900 0.132 0.000 1.086 305 G CA -0.160 45.100 45.100 0.265 0.000 0.894 305 G HN 0.488 nan 8.290 nan 0.000 0.412 306 N N 0.524 119.239 118.700 0.026 0.000 2.413 306 N HA 0.163 4.903 4.740 0.001 0.000 0.193 306 N C 2.051 177.450 175.510 -0.184 0.000 1.043 306 N CA 0.628 53.601 53.050 -0.128 0.000 0.910 306 N CB -0.313 38.036 38.487 -0.229 0.000 1.111 306 N HN 0.056 nan 8.380 nan 0.000 0.452 307 R N 0.593 120.907 120.500 -0.311 0.000 2.120 307 R HA 0.066 4.407 4.340 0.001 0.000 0.234 307 R C -0.122 176.149 176.300 -0.048 0.000 1.123 307 R CA 0.505 56.397 56.100 -0.348 0.000 0.975 307 R CB -0.353 29.487 30.300 -0.766 0.000 0.866 307 R HN 0.099 nan 8.270 nan 0.000 0.446 308 V N 0.836 120.799 119.914 0.082 0.000 2.443 308 V HA 0.194 4.314 4.120 0.001 0.000 0.293 308 V C 0.314 176.480 176.094 0.120 0.000 1.021 308 V CA -0.467 61.898 62.300 0.108 0.000 0.848 308 V CB 1.912 33.786 31.823 0.086 0.000 0.998 308 V HN 0.104 nan 8.190 nan 0.000 0.424 309 T N 3.635 118.235 114.554 0.077 0.000 2.855 309 T HA 0.427 4.778 4.350 0.001 0.000 0.275 309 T C -0.255 174.471 174.700 0.043 0.000 1.022 309 T CA -0.287 61.870 62.100 0.096 0.000 0.977 309 T CB 1.337 70.263 68.868 0.097 0.000 1.559 309 T HN 0.680 nan 8.240 nan 0.000 0.600 310 C N 2.150 121.436 119.300 -0.023 0.000 2.319 310 C HA 0.525 4.986 4.460 0.001 0.000 0.335 310 C C 1.937 176.795 174.990 -0.219 0.000 1.274 310 C CA -0.736 58.191 59.018 -0.151 0.000 1.806 310 C CB 0.553 28.118 27.740 -0.291 0.000 2.329 310 C HN 1.029 nan 8.230 nan 0.000 0.524 311 R N 1.307 121.691 120.500 -0.193 0.000 2.096 311 R HA -0.087 4.253 4.340 0.001 0.000 0.235 311 R C -0.006 176.152 176.300 -0.237 0.000 1.127 311 R CA 1.975 57.949 56.100 -0.210 0.000 0.968 311 R CB 0.155 30.273 30.300 -0.303 0.000 0.861 311 R HN 1.003 nan 8.270 nan 0.000 0.440 312 D N -4.769 115.458 120.400 -0.290 0.000 2.639 312 D HA 0.058 4.699 4.640 0.001 0.000 0.271 312 D C -0.360 175.723 176.300 -0.363 0.000 1.254 312 D CA -0.803 53.042 54.000 -0.259 0.000 0.810 312 D CB -0.447 40.390 40.800 0.062 0.000 1.351 312 D HN -0.044 nan 8.370 nan 0.000 0.427 313 W N -0.835 120.382 121.300 -0.137 0.000 2.525 313 W HA 0.097 4.758 4.660 0.001 0.000 0.259 313 W C 1.063 177.380 176.519 -0.337 0.000 1.253 313 W CA -0.346 56.835 57.345 -0.275 0.000 1.262 313 W CB -0.208 29.052 29.460 -0.333 0.000 1.122 313 W HN 0.307 nan 8.180 nan 0.000 0.607 314 F N 0.135 120.132 119.950 0.077 0.000 2.502 314 F HA -0.142 4.386 4.527 0.001 0.000 0.298 314 F C 2.070 177.883 175.800 0.021 0.000 1.111 314 F CA 0.918 58.925 58.000 0.012 0.000 1.445 314 F CB -0.546 38.445 39.000 -0.015 0.000 1.081 314 F HN -0.087 nan 8.300 nan 0.000 0.558 315 Q N 0.164 120.037 119.800 0.122 0.000 2.247 315 Q HA 0.086 4.427 4.340 0.001 0.000 0.205 315 Q C 2.048 178.078 176.000 0.050 0.000 0.896 315 Q CA 0.018 55.859 55.803 0.064 0.000 0.950 315 Q CB -0.335 28.390 28.738 -0.023 0.000 1.054 315 Q HN 0.401 nan 8.270 nan 0.000 0.482 316 L N 0.793 122.062 121.223 0.076 0.000 2.051 316 L HA -0.217 4.123 4.340 0.001 0.000 0.214 316 L C 2.152 179.028 176.870 0.009 0.000 1.076 316 L CA 1.958 56.833 54.840 0.059 0.000 0.758 316 L CB -0.840 41.207 42.059 -0.021 0.000 0.890 316 L HN 0.137 nan 8.230 nan 0.000 0.433 317 S N -1.330 114.391 115.700 0.036 0.000 2.442 317 S HA -0.152 4.318 4.470 0.001 0.000 0.236 317 S C 1.932 176.529 174.600 -0.006 0.000 1.007 317 S CA 1.086 59.297 58.200 0.018 0.000 0.965 317 S CB -0.546 62.702 63.200 0.081 0.000 0.773 317 S HN 0.475 nan 8.310 nan 0.000 0.504 318 L N 2.314 123.542 121.223 0.008 0.000 2.081 318 L HA -0.162 4.178 4.340 0.001 0.000 0.212 318 L C 2.083 178.896 176.870 -0.096 0.000 1.080 318 L CA 2.387 57.181 54.840 -0.076 0.000 0.754 318 L CB -0.544 41.501 42.059 -0.023 0.000 0.893 318 L HN 0.475 nan 8.230 nan 0.000 0.433 319 K N -2.745 117.660 120.400 0.010 0.000 2.244 319 K HA 0.062 4.383 4.320 0.001 0.000 0.200 319 K C 1.704 178.352 176.600 0.080 0.000 1.052 319 K CA 0.384 56.733 56.287 0.103 0.000 0.980 319 K CB -0.321 32.318 32.500 0.231 0.000 0.838 319 K HN 0.137 nan 8.250 nan 0.000 0.481 320 E N 1.521 121.708 120.200 -0.022 0.000 2.072 320 E HA -0.049 4.302 4.350 0.001 0.000 0.190 320 E C 2.255 178.757 176.600 -0.162 0.000 0.982 320 E CA 1.470 57.741 56.400 -0.216 0.000 0.803 320 E CB -0.427 28.851 29.700 -0.703 0.000 0.755 320 E HN 0.533 nan 8.360 nan 0.000 0.453 321 G N 1.594 110.334 108.800 -0.100 0.000 2.421 321 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 321 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 321 G C 1.615 176.520 174.900 0.009 0.000 1.171 321 G CA 0.745 45.830 45.100 -0.025 0.000 0.775 321 G HN 0.223 nan 8.290 nan 0.000 0.543 322 L N 0.917 122.095 121.223 -0.076 0.000 2.093 322 L HA 0.056 4.397 4.340 0.001 0.000 0.208 322 L C 2.780 179.680 176.870 0.049 0.000 1.085 322 L CA 2.385 57.202 54.840 -0.038 0.000 0.755 322 L CB -0.824 41.083 42.059 -0.253 0.000 0.904 322 L HN 0.165 nan 8.230 nan 0.000 0.435 323 T N -1.526 112.974 114.554 -0.090 0.000 2.904 323 T HA -0.076 4.275 4.350 0.001 0.000 0.267 323 T C 1.966 176.611 174.700 -0.092 0.000 1.059 323 T CA 1.267 63.207 62.100 -0.266 0.000 1.137 323 T CB -0.147 68.190 68.868 -0.884 0.000 0.879 323 T HN 0.164 nan 8.240 nan 0.000 0.467 324 V N 1.249 121.229 119.914 0.109 0.000 2.358 324 V HA -0.087 4.034 4.120 0.001 0.000 0.246 324 V C 1.968 178.183 176.094 0.200 0.000 1.047 324 V CA 1.384 63.843 62.300 0.264 0.000 1.035 324 V CB -0.674 31.309 31.823 0.265 0.000 0.658 324 V HN 0.456 nan 8.190 nan 0.000 0.452 325 F N 1.441 121.425 119.950 0.056 0.000 2.126 325 F HA -0.211 4.316 4.527 0.001 0.000 0.299 325 F C 2.505 178.346 175.800 0.068 0.000 1.096 325 F CA 1.853 59.883 58.000 0.049 0.000 1.255 325 F CB -0.282 38.755 39.000 0.061 0.000 0.997 325 F HN -0.027 nan 8.300 nan 0.000 0.479 326 R N 0.289 120.813 120.500 0.041 0.000 2.081 326 R HA -0.171 4.170 4.340 0.001 0.000 0.235 326 R C 1.988 178.196 176.300 -0.153 0.000 1.131 326 R CA 1.727 57.753 56.100 -0.123 0.000 0.960 326 R CB -0.722 29.422 30.300 -0.259 0.000 0.856 326 R HN 0.555 nan 8.270 nan 0.000 0.436 327 D N -0.160 120.311 120.400 0.119 0.000 2.224 327 D HA -0.172 4.469 4.640 0.001 0.000 0.205 327 D C 1.545 177.883 176.300 0.064 0.000 0.965 327 D CA 1.132 55.298 54.000 0.276 0.000 0.852 327 D CB -0.136 40.885 40.800 0.369 0.000 0.947 327 D HN 0.249 nan 8.370 nan 0.000 0.494 328 Q N -0.371 119.396 119.800 -0.054 0.000 2.123 328 Q HA -0.074 4.266 4.340 0.001 0.000 0.199 328 Q C 1.870 177.726 176.000 -0.240 0.000 0.966 328 Q CA 1.004 56.728 55.803 -0.132 0.000 0.845 328 Q CB 0.038 28.701 28.738 -0.125 0.000 0.907 328 Q HN 0.318 nan 8.270 nan 0.000 0.439 329 E N 0.286 120.281 120.200 -0.341 0.000 2.150 329 E HA -0.144 4.207 4.350 0.001 0.000 0.193 329 E C 1.659 178.096 176.600 -0.272 0.000 0.985 329 E CA 0.635 56.881 56.400 -0.256 0.000 0.814 329 E CB -0.167 29.433 29.700 -0.166 0.000 0.752 329 E HN 0.266 nan 8.360 nan 0.000 0.466 330 F N 2.000 121.400 119.950 -0.916 0.000 2.084 330 F HA -0.156 4.371 4.527 0.001 0.000 0.296 330 F C 2.355 177.779 175.800 -0.628 0.000 1.111 330 F CA 1.522 58.645 58.000 -1.461 0.000 1.224 330 F CB -0.562 37.702 39.000 -1.226 0.000 0.991 330 F HN -0.142 nan 8.300 nan 0.000 0.471 331 S N -0.037 115.342 115.700 -0.534 0.000 2.370 331 S HA -0.188 4.282 4.470 0.001 0.000 0.226 331 S C 2.204 176.580 174.600 -0.373 0.000 1.033 331 S CA 1.484 59.398 58.200 -0.477 0.000 1.011 331 S CB -0.615 62.447 63.200 -0.229 0.000 0.852 331 S HN 0.457 nan 8.310 nan 0.000 0.457 332 S N 1.516 117.045 115.700 -0.285 0.000 2.368 332 S HA -0.106 4.365 4.470 0.001 0.000 0.225 332 S C 1.543 176.024 174.600 -0.197 0.000 1.030 332 S CA 1.158 59.226 58.200 -0.220 0.000 0.999 332 S CB -0.446 62.650 63.200 -0.174 0.000 0.844 332 S HN 0.432 nan 8.310 nan 0.000 0.459 333 D N 1.032 121.340 120.400 -0.154 0.000 2.144 333 D HA -0.002 4.639 4.640 0.001 0.000 0.200 333 D C 1.685 177.923 176.300 -0.104 0.000 0.978 333 D CA 0.706 54.687 54.000 -0.032 0.000 0.833 333 D CB -0.230 40.711 40.800 0.235 0.000 0.961 333 D HN 0.193 nan 8.370 nan 0.000 0.470 334 L N -0.410 120.665 121.223 -0.247 0.000 2.240 334 L HA 0.175 4.515 4.340 0.001 0.000 0.211 334 L C 1.682 178.313 176.870 -0.397 0.000 1.106 334 L CA 0.871 55.573 54.840 -0.231 0.000 0.793 334 L CB -0.336 41.531 42.059 -0.319 0.000 0.927 334 L HN -0.002 nan 8.230 nan 0.000 0.446 335 G N -2.606 105.813 108.800 -0.635 0.000 3.356 335 G HA2 0.287 4.247 3.960 0.001 0.000 0.178 335 G HA3 0.287 4.247 3.960 0.001 0.000 0.178 335 G C -0.718 173.843 174.900 -0.566 0.000 1.175 335 G CA 0.079 44.437 45.100 -1.237 0.000 0.840 335 G HN -0.043 nan 8.290 nan 0.000 0.658 336 S N -0.438 115.019 115.700 -0.405 0.000 2.410 336 S HA 0.262 4.732 4.470 0.001 0.000 0.304 336 S C 1.343 175.845 174.600 -0.164 0.000 1.095 336 S CA -0.310 57.767 58.200 -0.205 0.000 1.089 336 S CB 1.181 64.305 63.200 -0.127 0.000 0.968 336 S HN 0.574 nan 8.310 nan 0.000 0.480 337 R N 4.261 124.682 120.500 -0.131 0.000 2.081 337 R HA -0.059 4.281 4.340 0.001 0.000 0.235 337 R C 2.142 178.393 176.300 -0.081 0.000 1.131 337 R CA 1.751 57.786 56.100 -0.109 0.000 0.960 337 R CB -0.626 29.625 30.300 -0.082 0.000 0.856 337 R HN 0.763 nan 8.270 nan 0.000 0.436 338 A N 0.249 123.038 122.820 -0.052 0.000 1.877 338 A HA -0.116 4.204 4.320 0.001 0.000 0.216 338 A C 2.256 179.800 177.584 -0.066 0.000 1.186 338 A CA 1.711 53.742 52.037 -0.011 0.000 0.620 338 A CB -0.637 18.366 19.000 0.005 0.000 0.822 338 A HN 0.228 nan 8.150 nan 0.000 0.443 339 V N 1.009 120.861 119.914 -0.103 0.000 2.343 339 V HA -0.260 3.860 4.120 0.001 0.000 0.247 339 V C 2.331 178.333 176.094 -0.153 0.000 1.051 339 V CA 2.052 64.266 62.300 -0.144 0.000 1.036 339 V CB -0.934 30.826 31.823 -0.106 0.000 0.654 339 V HN 0.569 nan 8.190 nan 0.000 0.451 340 N N 0.134 118.757 118.700 -0.128 0.000 2.120 340 N HA -0.194 4.546 4.740 0.001 0.000 0.188 340 N C 2.072 177.506 175.510 -0.126 0.000 1.024 340 N CA 1.434 54.410 53.050 -0.124 0.000 0.852 340 N CB -0.225 38.184 38.487 -0.130 0.000 1.003 340 N HN 0.285 nan 8.380 nan 0.000 0.424 341 R N 1.535 121.967 120.500 -0.115 0.000 2.081 341 R HA 0.082 4.422 4.340 0.001 0.000 0.235 341 R C 2.198 178.442 176.300 -0.093 0.000 1.131 341 R CA 0.869 56.899 56.100 -0.117 0.000 0.960 341 R CB -0.683 29.532 30.300 -0.142 0.000 0.856 341 R HN 0.229 nan 8.270 nan 0.000 0.436 342 I N 0.596 121.080 120.570 -0.143 0.000 2.163 342 I HA -0.334 3.837 4.170 0.001 0.000 0.243 342 I C 1.967 177.784 176.117 -0.500 0.000 1.085 342 I CA 1.488 62.455 61.300 -0.555 0.000 1.347 342 I CB -0.434 36.972 38.000 -0.990 0.000 1.044 342 I HN 0.284 nan 8.210 nan 0.000 0.408 343 N N 0.973 119.482 118.700 -0.318 0.000 2.120 343 N HA -0.168 4.573 4.740 0.001 0.000 0.188 343 N C 1.527 176.950 175.510 -0.145 0.000 1.024 343 N CA 1.334 54.263 53.050 -0.203 0.000 0.852 343 N CB -0.397 38.010 38.487 -0.133 0.000 1.003 343 N HN 0.405 nan 8.380 nan 0.000 0.424 344 N N 0.622 119.245 118.700 -0.128 0.000 2.244 344 N HA -0.060 4.681 4.740 0.001 0.000 0.183 344 N C 1.817 177.249 175.510 -0.130 0.000 1.016 344 N CA 0.443 53.440 53.050 -0.089 0.000 0.866 344 N CB -0.249 38.205 38.487 -0.056 0.000 0.980 344 N HN 0.064 nan 8.380 nan 0.000 0.430 345 V N 1.409 121.209 119.914 -0.190 0.000 2.548 345 V HA -0.079 4.042 4.120 0.001 0.000 0.249 345 V C 2.301 178.239 176.094 -0.261 0.000 1.055 345 V CA 1.118 63.208 62.300 -0.350 0.000 1.065 345 V CB -0.294 31.381 31.823 -0.247 0.000 0.681 345 V HN 0.226 nan 8.190 nan 0.000 0.462 346 R N -0.232 120.193 120.500 -0.125 0.000 2.096 346 R HA -0.134 4.207 4.340 0.001 0.000 0.235 346 R C 2.399 178.644 176.300 -0.092 0.000 1.127 346 R CA 1.884 57.962 56.100 -0.038 0.000 0.968 346 R CB -0.629 29.674 30.300 0.006 0.000 0.861 346 R HN 0.464 nan 8.270 nan 0.000 0.440 347 T N 1.001 115.498 114.554 -0.095 0.000 2.777 347 T HA -0.101 4.250 4.350 0.001 0.000 0.266 347 T C 1.853 176.495 174.700 -0.097 0.000 1.040 347 T CA 1.022 63.083 62.100 -0.066 0.000 1.141 347 T CB -0.006 68.842 68.868 -0.034 0.000 0.868 347 T HN 0.062 nan 8.240 nan 0.000 0.444 348 M N 0.976 120.479 119.600 -0.162 0.000 2.067 348 M HA 0.014 4.495 4.480 0.001 0.000 0.260 348 M C 2.369 178.314 176.300 -0.592 0.000 1.069 348 M CA 1.618 56.792 55.300 -0.210 0.000 1.117 348 M CB -0.957 31.560 32.600 -0.138 0.000 1.334 348 M HN 0.173 nan 8.290 nan 0.000 0.407 349 R N -0.773 119.262 120.500 -0.775 0.000 2.075 349 R HA -0.066 4.274 4.340 0.001 0.000 0.232 349 R C 2.287 178.382 176.300 -0.341 0.000 1.126 349 R CA 1.382 56.916 56.100 -0.943 0.000 0.963 349 R CB -0.641 29.356 30.300 -0.505 0.000 0.858 349 R HN 0.507 nan 8.270 nan 0.000 0.435 350 G N -0.357 108.344 108.800 -0.165 0.000 2.539 350 G HA2 -0.018 3.942 3.960 0.001 0.000 0.215 350 G HA3 -0.018 3.942 3.960 0.001 0.000 0.215 350 G C 1.255 176.168 174.900 0.021 0.000 1.141 350 G CA 0.116 45.200 45.100 -0.028 0.000 0.806 350 G HN 0.088 nan 8.290 nan 0.000 0.533 351 L N -1.401 119.827 121.223 0.008 0.000 2.586 351 L HA 0.215 4.555 4.340 0.001 0.000 0.204 351 L C 2.531 179.457 176.870 0.093 0.000 1.053 351 L CA 0.122 54.992 54.840 0.050 0.000 0.856 351 L CB -0.313 41.764 42.059 0.029 0.000 1.192 351 L HN 0.023 nan 8.230 nan 0.000 0.484 352 Q N 0.485 120.345 119.800 0.100 0.000 2.123 352 Q HA -0.134 4.207 4.340 0.001 0.000 0.199 352 Q C 2.226 178.421 176.000 0.325 0.000 0.966 352 Q CA 1.743 57.655 55.803 0.182 0.000 0.845 352 Q CB 0.006 28.859 28.738 0.191 0.000 0.907 352 Q HN 0.288 nan 8.270 nan 0.000 0.439 353 F N 0.701 120.706 119.950 0.092 0.000 2.161 353 F HA -0.116 4.411 4.527 0.001 0.000 0.300 353 F C 2.485 178.329 175.800 0.075 0.000 1.089 353 F CA 0.875 58.933 58.000 0.096 0.000 1.282 353 F CB -1.281 37.786 39.000 0.112 0.000 1.010 353 F HN 0.145 nan 8.300 nan 0.000 0.485 354 A N -0.489 122.494 122.820 0.271 0.000 1.933 354 A HA -0.237 4.084 4.320 0.001 0.000 0.218 354 A C 2.243 179.908 177.584 0.135 0.000 1.175 354 A CA 1.797 53.937 52.037 0.171 0.000 0.628 354 A CB -0.843 18.242 19.000 0.142 0.000 0.814 354 A HN 0.439 nan 8.150 nan 0.000 0.444 355 E N -0.530 119.749 120.200 0.132 0.000 2.072 355 E HA -0.208 4.143 4.350 0.001 0.000 0.191 355 E C 1.138 177.786 176.600 0.080 0.000 0.985 355 E CA 1.093 57.553 56.400 0.100 0.000 0.801 355 E CB -0.122 29.633 29.700 0.091 0.000 0.750 355 E HN 0.443 nan 8.360 nan 0.000 0.452 356 D N -0.560 119.888 120.400 0.080 0.000 2.350 356 D HA -0.032 4.609 4.640 0.001 0.000 0.216 356 D C 0.687 177.009 176.300 0.037 0.000 0.968 356 D CA 0.761 54.784 54.000 0.038 0.000 0.894 356 D CB 0.293 41.107 40.800 0.024 0.000 0.909 356 D HN 0.239 nan 8.370 nan 0.000 0.520 357 A N -0.083 122.772 122.820 0.059 0.000 2.500 357 A HA 0.288 4.608 4.320 0.001 0.000 0.267 357 A C 0.816 178.436 177.584 0.060 0.000 1.290 357 A CA -0.165 51.902 52.037 0.050 0.000 0.928 357 A CB 0.100 19.133 19.000 0.055 0.000 1.066 357 A HN 0.139 nan 8.150 nan 0.000 0.516 358 S N -1.392 114.350 115.700 0.070 0.000 2.739 358 S HA 0.617 5.087 4.470 0.001 0.000 0.306 358 S C -2.336 172.309 174.600 0.074 0.000 1.115 358 S CA -1.237 57.009 58.200 0.076 0.000 0.985 358 S CB 1.313 64.564 63.200 0.085 0.000 1.133 358 S HN -0.071 nan 8.310 nan 0.000 0.541 359 P HA 0.080 nan 4.420 nan 0.000 0.225 359 P C 0.981 178.329 177.300 0.079 0.000 1.148 359 P CA 0.883 64.022 63.100 0.064 0.000 0.779 359 P CB 0.063 31.791 31.700 0.047 0.000 0.780 360 M N -1.285 118.366 119.600 0.085 0.000 2.563 360 M HA 0.184 4.665 4.480 0.001 0.000 0.231 360 M C 0.551 177.002 176.300 0.252 0.000 1.136 360 M CA -0.600 54.766 55.300 0.111 0.000 1.026 360 M CB -1.177 31.448 32.600 0.040 0.000 1.597 360 M HN -0.208 nan 8.290 nan 0.000 0.495 361 A N 2.209 125.140 122.820 0.186 0.000 2.587 361 A HA 0.189 4.510 4.320 0.001 0.000 0.235 361 A C 0.107 177.860 177.584 0.282 0.000 1.044 361 A CA 0.631 52.764 52.037 0.161 0.000 0.754 361 A CB -0.289 18.765 19.000 0.089 0.000 0.968 361 A HN 0.681 nan 8.150 nan 0.000 0.509 362 H N 0.446 119.611 119.070 0.159 0.000 3.064 362 H HA 0.598 5.155 4.556 0.001 0.000 0.352 362 H C -3.422 172.010 175.328 0.173 0.000 1.260 362 H CA -2.101 54.069 56.048 0.203 0.000 1.160 362 H CB 0.933 30.904 29.762 0.349 0.000 1.879 362 H HN 0.452 nan 8.280 nan 0.000 0.544 363 P HA 0.124 nan 4.420 nan 0.000 0.274 363 P C 1.541 178.957 177.300 0.193 0.000 1.246 363 P CA -0.574 62.613 63.100 0.145 0.000 0.795 363 P CB 1.600 33.394 31.700 0.156 0.000 1.006 364 I N -1.775 118.868 120.570 0.122 0.000 2.530 364 I HA -0.075 4.095 4.170 0.001 0.000 0.257 364 I C 1.199 177.447 176.117 0.218 0.000 1.179 364 I CA 1.099 62.480 61.300 0.135 0.000 1.440 364 I CB -0.368 37.627 38.000 -0.009 0.000 1.087 364 I HN 0.190 nan 8.210 nan 0.000 0.440 365 R N 2.559 123.208 120.500 0.249 0.000 2.312 365 R HA 0.458 4.799 4.340 0.001 0.000 0.310 365 R C -2.653 173.796 176.300 0.249 0.000 1.064 365 R CA -2.029 54.234 56.100 0.271 0.000 0.983 365 R CB 0.854 31.342 30.300 0.313 0.000 1.139 365 R HN 0.040 nan 8.270 nan 0.000 0.536 366 P HA 0.020 nan 4.420 nan 0.000 0.268 366 P C -0.511 176.899 177.300 0.183 0.000 1.208 366 P CA 0.035 63.262 63.100 0.212 0.000 0.777 366 P CB 0.817 32.512 31.700 -0.008 0.000 0.875 367 D N 0.083 120.534 120.400 0.085 0.000 2.423 367 D HA 0.149 4.790 4.640 0.001 0.000 0.212 367 D C 0.445 176.671 176.300 -0.123 0.000 1.060 367 D CA 0.870 54.839 54.000 -0.053 0.000 0.872 367 D CB 0.380 41.218 40.800 0.062 0.000 1.012 367 D HN 0.281 nan 8.370 nan 0.000 0.503 368 M N 1.178 120.754 119.600 -0.041 0.000 2.271 368 M HA 0.397 4.877 4.480 0.001 0.000 0.285 368 M C -2.295 173.885 176.300 -0.199 0.000 1.059 368 M CA -0.475 54.699 55.300 -0.209 0.000 0.940 368 M CB 2.460 34.945 32.600 -0.192 0.000 1.636 368 M HN -0.390 nan 8.290 nan 0.000 0.460 369 V N 5.874 125.667 119.914 -0.202 0.000 2.808 369 V HA 0.425 4.545 4.120 0.001 0.000 0.308 369 V C 0.091 176.133 176.094 -0.086 0.000 1.099 369 V CA -0.394 61.728 62.300 -0.297 0.000 0.920 369 V CB 2.237 33.702 31.823 -0.597 0.000 1.014 369 V HN 0.990 nan 8.190 nan 0.000 0.425 370 I N 1.480 122.093 120.570 0.071 0.000 2.900 370 I HA 0.239 4.410 4.170 0.001 0.000 0.251 370 I C 0.661 176.840 176.117 0.102 0.000 1.102 370 I CA 0.530 61.888 61.300 0.096 0.000 1.457 370 I CB 0.495 38.595 38.000 0.165 0.000 1.285 370 I HN 0.609 nan 8.210 nan 0.000 0.459 371 E N 1.053 121.348 120.200 0.158 0.000 2.141 371 E HA 0.167 4.517 4.350 0.001 0.000 0.259 371 E C 0.448 177.152 176.600 0.172 0.000 0.883 371 E CA -0.386 56.084 56.400 0.117 0.000 0.744 371 E CB 1.318 31.074 29.700 0.094 0.000 1.150 371 E HN 0.099 nan 8.360 nan 0.000 0.420 372 M N 3.912 123.552 119.600 0.067 0.000 2.267 372 M HA -0.062 4.418 4.480 0.001 0.000 0.263 372 M C 0.602 177.017 176.300 0.193 0.000 1.063 372 M CA 1.534 56.874 55.300 0.068 0.000 1.090 372 M CB -0.251 32.243 32.600 -0.176 0.000 1.392 372 M HN 0.438 nan 8.290 nan 0.000 0.422 373 N N 0.373 119.111 118.700 0.062 0.000 2.520 373 N HA -0.084 4.656 4.740 0.001 0.000 0.185 373 N C 0.738 176.305 175.510 0.094 0.000 1.068 373 N CA 0.667 53.726 53.050 0.015 0.000 0.911 373 N CB -0.571 37.821 38.487 -0.160 0.000 0.961 373 N HN 0.454 nan 8.380 nan 0.000 0.446 374 N N -0.203 118.541 118.700 0.072 0.000 2.461 374 N HA 0.026 4.766 4.740 0.001 0.000 0.188 374 N C 0.053 175.316 175.510 -0.412 0.000 1.134 374 N CA 0.251 53.206 53.050 -0.157 0.000 0.878 374 N CB -0.036 38.293 38.487 -0.263 0.000 0.972 374 N HN 0.223 nan 8.380 nan 0.000 0.456 375 F N -0.850 119.109 119.950 0.014 0.000 2.708 375 F HA 0.237 4.764 4.527 0.001 0.000 0.300 375 F C -0.237 175.515 175.800 -0.080 0.000 1.118 375 F CA -0.484 57.458 58.000 -0.097 0.000 1.307 375 F CB 0.056 38.934 39.000 -0.202 0.000 0.986 375 F HN -0.114 nan 8.300 nan 0.000 0.522 376 Y N 1.145 121.498 120.300 0.087 0.000 2.817 376 Y HA 0.255 4.805 4.550 0.001 0.000 0.339 376 Y C 0.980 176.882 175.900 0.004 0.000 1.281 376 Y CA -1.113 57.087 58.100 0.166 0.000 1.564 376 Y CB -0.516 37.975 38.460 0.053 0.000 1.628 376 Y HN -0.013 nan 8.280 nan 0.000 0.489 377 T N -3.408 111.255 114.554 0.182 0.000 2.948 377 T HA 0.384 4.734 4.350 0.001 0.000 0.285 377 T C 1.123 175.916 174.700 0.156 0.000 1.019 377 T CA -0.844 61.339 62.100 0.139 0.000 1.013 377 T CB 1.134 70.160 68.868 0.263 0.000 1.117 377 T HN 0.387 nan 8.240 nan 0.000 0.533 378 L N 0.250 121.532 121.223 0.098 0.000 2.127 378 L HA -0.095 4.245 4.340 0.001 0.000 0.211 378 L C 2.988 179.954 176.870 0.160 0.000 1.089 378 L CA 1.496 56.399 54.840 0.106 0.000 0.757 378 L CB -0.978 41.129 42.059 0.080 0.000 0.899 378 L HN 0.845 nan 8.230 nan 0.000 0.434 379 T N -0.944 113.698 114.554 0.148 0.000 2.668 379 T HA -0.144 4.207 4.350 0.001 0.000 0.262 379 T C 1.978 176.779 174.700 0.168 0.000 1.045 379 T CA 1.412 63.566 62.100 0.089 0.000 1.152 379 T CB -0.218 68.537 68.868 -0.188 0.000 0.864 379 T HN 0.038 nan 8.240 nan 0.000 0.419 380 V N 0.137 120.223 119.914 0.288 0.000 2.407 380 V HA -0.158 3.963 4.120 0.001 0.000 0.248 380 V C 2.080 178.308 176.094 0.223 0.000 1.055 380 V CA 1.598 64.055 62.300 0.263 0.000 1.049 380 V CB -0.653 31.345 31.823 0.291 0.000 0.662 380 V HN 0.447 nan 8.190 nan 0.000 0.455 381 Y N 0.483 120.844 120.300 0.102 0.000 2.170 381 Y HA -0.033 4.517 4.550 0.001 0.000 0.280 381 Y C 2.585 178.545 175.900 0.100 0.000 1.097 381 Y CA 1.484 59.650 58.100 0.110 0.000 1.087 381 Y CB -0.636 37.886 38.460 0.105 0.000 1.016 381 Y HN 0.167 nan 8.280 nan 0.000 0.485 382 E N 0.325 120.696 120.200 0.285 0.000 2.047 382 E HA -0.144 4.207 4.350 0.001 0.000 0.191 382 E C 2.054 178.743 176.600 0.149 0.000 0.987 382 E CA 1.314 57.826 56.400 0.186 0.000 0.799 382 E CB -0.190 29.596 29.700 0.145 0.000 0.752 382 E HN 0.257 nan 8.360 nan 0.000 0.449 383 K N 0.062 120.546 120.400 0.140 0.000 2.148 383 K HA -0.066 4.255 4.320 0.001 0.000 0.204 383 K C 2.084 178.700 176.600 0.028 0.000 1.050 383 K CA 1.243 57.591 56.287 0.102 0.000 0.942 383 K CB -0.315 32.249 32.500 0.108 0.000 0.724 383 K HN 0.206 nan 8.250 nan 0.000 0.446 384 G N 0.615 109.443 108.800 0.045 0.000 2.440 384 G HA2 -0.294 3.666 3.960 0.001 0.000 0.218 384 G HA3 -0.294 3.666 3.960 0.001 0.000 0.218 384 G C 1.552 176.447 174.900 -0.010 0.000 1.154 384 G CA 0.955 46.048 45.100 -0.012 0.000 0.767 384 G HN 0.430 nan 8.290 nan 0.000 0.552 385 A N 0.528 123.387 122.820 0.066 0.000 1.930 385 A HA 0.022 4.342 4.320 0.001 0.000 0.217 385 A C 2.233 179.862 177.584 0.076 0.000 1.175 385 A CA 1.826 53.936 52.037 0.122 0.000 0.627 385 A CB -0.254 18.865 19.000 0.199 0.000 0.815 385 A HN 0.285 nan 8.150 nan 0.000 0.443 386 E N -0.023 120.201 120.200 0.039 0.000 2.153 386 E HA -0.112 4.238 4.350 0.001 0.000 0.194 386 E C 2.150 178.651 176.600 -0.164 0.000 0.988 386 E CA 1.246 57.632 56.400 -0.023 0.000 0.811 386 E CB -0.529 29.171 29.700 0.000 0.000 0.746 386 E HN 0.416 nan 8.360 nan 0.000 0.466 387 V N 1.693 121.482 119.914 -0.207 0.000 2.358 387 V HA -0.208 3.912 4.120 0.001 0.000 0.246 387 V C 2.338 178.402 176.094 -0.050 0.000 1.047 387 V CA 1.021 63.166 62.300 -0.257 0.000 1.035 387 V CB -0.324 31.279 31.823 -0.366 0.000 0.658 387 V HN 0.197 nan 8.190 nan 0.000 0.452 388 I N 0.201 120.722 120.570 -0.082 0.000 2.226 388 I HA -0.215 3.956 4.170 0.001 0.000 0.245 388 I C 2.576 178.460 176.117 -0.388 0.000 1.100 388 I CA 1.691 62.911 61.300 -0.134 0.000 1.374 388 I CB -1.189 36.654 38.000 -0.261 0.000 1.057 388 I HN 0.322 nan 8.210 nan 0.000 0.413 389 R N 0.526 120.799 120.500 -0.379 0.000 2.120 389 R HA -0.122 4.218 4.340 0.001 0.000 0.234 389 R C 2.345 178.555 176.300 -0.149 0.000 1.123 389 R CA 1.146 57.087 56.100 -0.265 0.000 0.975 389 R CB -0.043 30.284 30.300 0.046 0.000 0.866 389 R HN 0.249 nan 8.270 nan 0.000 0.446 390 M N -0.029 119.487 119.600 -0.141 0.000 2.175 390 M HA -0.144 4.337 4.480 0.001 0.000 0.264 390 M C 2.088 178.251 176.300 -0.229 0.000 1.063 390 M CA 1.480 56.701 55.300 -0.132 0.000 1.119 390 M CB -0.087 32.469 32.600 -0.073 0.000 1.377 390 M HN 0.202 nan 8.290 nan 0.000 0.415 391 I N -0.976 119.438 120.570 -0.259 0.000 2.226 391 I HA -0.342 3.829 4.170 0.001 0.000 0.245 391 I C 2.675 178.728 176.117 -0.107 0.000 1.100 391 I CA 1.220 62.327 61.300 -0.321 0.000 1.374 391 I CB -0.820 37.114 38.000 -0.111 0.000 1.057 391 I HN 0.406 nan 8.210 nan 0.000 0.413 392 H N 1.010 119.948 119.070 -0.219 0.000 2.387 392 H HA -0.151 4.406 4.556 0.001 0.000 0.299 392 H C 2.114 177.336 175.328 -0.176 0.000 1.090 392 H CA 2.063 57.918 56.048 -0.322 0.000 1.332 392 H CB 0.083 29.425 29.762 -0.700 0.000 1.386 392 H HN 0.219 nan 8.280 nan 0.000 0.516 393 T N 1.353 115.879 114.554 -0.045 0.000 2.821 393 T HA -0.065 4.286 4.350 0.001 0.000 0.267 393 T C 2.397 177.034 174.700 -0.105 0.000 1.046 393 T CA 1.088 63.159 62.100 -0.050 0.000 1.139 393 T CB -0.129 68.716 68.868 -0.037 0.000 0.871 393 T HN 0.242 nan 8.240 nan 0.000 0.454 394 L N -0.203 120.931 121.223 -0.149 0.000 2.179 394 L HA 0.050 4.391 4.340 0.001 0.000 0.208 394 L C 1.990 178.788 176.870 -0.121 0.000 1.096 394 L CA 0.619 55.375 54.840 -0.139 0.000 0.779 394 L CB -0.215 41.701 42.059 -0.239 0.000 0.922 394 L HN 0.215 nan 8.230 nan 0.000 0.443 395 L N -1.057 120.079 121.223 -0.146 0.000 2.357 395 L HA 0.338 4.678 4.340 0.001 0.000 0.211 395 L C 0.986 177.769 176.870 -0.145 0.000 1.075 395 L CA 0.739 55.507 54.840 -0.120 0.000 0.830 395 L CB -0.382 41.628 42.059 -0.081 0.000 0.996 395 L HN 0.241 nan 8.230 nan 0.000 0.467 396 G N -0.300 108.343 108.800 -0.261 0.000 2.690 396 G HA2 -0.227 3.733 3.960 0.001 0.000 0.686 396 G HA3 -0.227 3.733 3.960 0.001 0.000 0.686 396 G C 0.375 175.055 174.900 -0.367 0.000 1.277 396 G CA 0.063 44.983 45.100 -0.299 0.000 0.799 396 G HN 0.137 nan 8.290 nan 0.000 0.613 397 E N 0.075 120.065 120.200 -0.350 0.000 2.070 397 E HA -0.176 4.174 4.350 0.001 0.000 0.197 397 E C 2.130 178.711 176.600 -0.030 0.000 1.004 397 E CA 2.516 58.829 56.400 -0.145 0.000 0.805 397 E CB -0.202 29.502 29.700 0.007 0.000 0.744 397 E HN 0.725 nan 8.360 nan 0.000 0.451 398 E N -0.134 120.035 120.200 -0.051 0.000 2.038 398 E HA -0.246 4.104 4.350 0.001 0.000 0.195 398 E C 1.899 178.478 176.600 -0.034 0.000 1.000 398 E CA 1.639 58.016 56.400 -0.039 0.000 0.803 398 E CB -0.280 29.395 29.700 -0.042 0.000 0.750 398 E HN 0.416 nan 8.360 nan 0.000 0.448 399 N N -0.890 117.784 118.700 -0.044 0.000 2.309 399 N HA -0.123 4.617 4.740 0.001 0.000 0.182 399 N C 1.665 177.145 175.510 -0.050 0.000 1.018 399 N CA 0.570 53.587 53.050 -0.055 0.000 0.876 399 N CB -0.135 38.313 38.487 -0.066 0.000 0.972 399 N HN 0.148 nan 8.380 nan 0.000 0.434 400 F N 2.220 122.073 119.950 -0.162 0.000 2.102 400 F HA -0.148 4.380 4.527 0.001 0.000 0.298 400 F C 2.453 178.202 175.800 -0.084 0.000 1.105 400 F CA 1.309 59.230 58.000 -0.131 0.000 1.239 400 F CB -0.011 38.933 39.000 -0.093 0.000 0.991 400 F HN -0.036 nan 8.300 nan 0.000 0.474 401 Q N 0.748 120.580 119.800 0.053 0.000 2.167 401 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 401 Q C 2.144 178.089 176.000 -0.091 0.000 0.970 401 Q CA 1.443 57.218 55.803 -0.047 0.000 0.855 401 Q CB -0.427 28.273 28.738 -0.063 0.000 0.911 401 Q HN 0.500 nan 8.270 nan 0.000 0.438 402 K N -0.329 120.015 120.400 -0.093 0.000 2.097 402 K HA -0.083 4.237 4.320 0.001 0.000 0.206 402 K C 2.093 178.612 176.600 -0.135 0.000 1.049 402 K CA 1.138 57.372 56.287 -0.089 0.000 0.933 402 K CB -0.269 32.184 32.500 -0.078 0.000 0.717 402 K HN 0.262 nan 8.250 nan 0.000 0.442 403 G N 1.269 109.929 108.800 -0.233 0.000 2.402 403 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 403 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 403 G C 1.477 176.178 174.900 -0.331 0.000 1.162 403 G CA 0.501 45.399 45.100 -0.336 0.000 0.777 403 G HN 0.046 nan 8.290 nan 0.000 0.539 404 M N 0.348 119.750 119.600 -0.331 0.000 2.117 404 M HA -0.081 4.400 4.480 0.001 0.000 0.262 404 M C 2.622 178.888 176.300 -0.056 0.000 1.065 404 M CA 1.248 56.434 55.300 -0.191 0.000 1.114 404 M CB -1.257 31.370 32.600 0.046 0.000 1.361 404 M HN 0.336 nan 8.290 nan 0.000 0.408 405 Q N -0.226 119.594 119.800 0.033 0.000 2.084 405 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 405 Q C 2.082 178.125 176.000 0.071 0.000 0.978 405 Q CA 1.198 57.067 55.803 0.110 0.000 0.844 405 Q CB -0.305 28.458 28.738 0.042 0.000 0.898 405 Q HN 0.300 nan 8.270 nan 0.000 0.426 406 L N -0.317 120.904 121.223 -0.004 0.000 2.093 406 L HA -0.166 4.174 4.340 0.001 0.000 0.208 406 L C 2.108 178.991 176.870 0.020 0.000 1.085 406 L CA 1.617 56.450 54.840 -0.012 0.000 0.755 406 L CB -0.665 41.364 42.059 -0.050 0.000 0.904 406 L HN 0.226 nan 8.230 nan 0.000 0.435 407 Y N -0.524 119.690 120.300 -0.145 0.000 2.128 407 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 407 Y C 2.107 178.009 175.900 0.004 0.000 1.154 407 Y CA 1.910 59.958 58.100 -0.086 0.000 1.149 407 Y CB -0.641 37.660 38.460 -0.265 0.000 0.976 407 Y HN 0.206 nan 8.280 nan 0.000 0.505 408 F N 0.770 120.746 119.950 0.044 0.000 2.186 408 F HA -0.090 4.438 4.527 0.001 0.000 0.299 408 F C 2.409 178.188 175.800 -0.034 0.000 1.090 408 F CA 1.570 59.551 58.000 -0.032 0.000 1.307 408 F CB -0.944 38.077 39.000 0.035 0.000 1.019 408 F HN 0.106 nan 8.300 nan 0.000 0.489 409 E N -0.016 120.266 120.200 0.137 0.000 2.085 409 E HA -0.218 4.133 4.350 0.001 0.000 0.194 409 E C 2.328 178.898 176.600 -0.049 0.000 0.994 409 E CA 1.297 57.726 56.400 0.047 0.000 0.801 409 E CB -0.150 29.560 29.700 0.017 0.000 0.743 409 E HN 0.401 nan 8.360 nan 0.000 0.453 410 R N -0.505 119.888 120.500 -0.178 0.000 2.093 410 R HA -0.009 4.332 4.340 0.001 0.000 0.224 410 R C 1.633 177.588 176.300 -0.575 0.000 1.101 410 R CA 0.895 56.735 56.100 -0.434 0.000 0.979 410 R CB 0.098 29.974 30.300 -0.706 0.000 0.877 410 R HN 0.285 nan 8.270 nan 0.000 0.441 411 H N -0.790 118.242 119.070 -0.064 0.000 2.755 411 H HA 0.106 4.662 4.556 0.001 0.000 0.273 411 H C -0.272 175.037 175.328 -0.032 0.000 1.055 411 H CA -0.489 55.508 56.048 -0.086 0.000 1.191 411 H CB 0.160 29.796 29.762 -0.210 0.000 1.536 411 H HN 0.066 nan 8.280 nan 0.000 0.529 412 D N 0.987 121.456 120.400 0.115 0.000 2.487 412 D HA 0.074 4.715 4.640 0.001 0.000 0.243 412 D C 1.440 177.804 176.300 0.107 0.000 1.154 412 D CA 1.661 55.763 54.000 0.170 0.000 0.876 412 D CB 0.341 41.281 40.800 0.234 0.000 1.161 412 D HN 0.603 nan 8.370 nan 0.000 0.478 413 G N 2.311 111.159 108.800 0.081 0.000 2.141 413 G HA2 -0.186 3.775 3.960 0.001 0.000 0.242 413 G HA3 -0.186 3.775 3.960 0.001 0.000 0.242 413 G C 0.275 175.214 174.900 0.065 0.000 0.982 413 G CA 0.651 45.796 45.100 0.074 0.000 0.662 413 G HN 1.121 nan 8.290 nan 0.000 0.527 414 S N -1.336 114.405 115.700 0.067 0.000 2.732 414 S HA 0.907 5.378 4.470 0.001 0.000 0.293 414 S C -0.235 174.393 174.600 0.046 0.000 1.159 414 S CA 0.165 58.403 58.200 0.063 0.000 0.847 414 S CB 2.053 65.307 63.200 0.090 0.000 1.169 414 S HN 1.899 nan 8.310 nan 0.000 0.501 415 A N 0.280 123.117 122.820 0.028 0.000 2.258 415 A HA 0.865 5.186 4.320 0.001 0.000 0.316 415 A C 0.201 177.764 177.584 -0.034 0.000 1.279 415 A CA -0.338 51.696 52.037 -0.005 0.000 0.876 415 A CB 0.093 19.081 19.000 -0.021 0.000 1.170 415 A HN 1.505 nan 8.150 nan 0.000 0.520 416 A N 1.881 124.667 122.820 -0.057 0.000 2.373 416 A HA 0.967 5.288 4.320 0.001 0.000 0.291 416 A C 0.426 177.940 177.584 -0.116 0.000 1.171 416 A CA 0.093 52.052 52.037 -0.129 0.000 0.922 416 A CB 0.788 19.638 19.000 -0.249 0.000 1.400 416 A HN 1.507 nan 8.150 nan 0.000 0.474 417 T N -3.912 110.563 114.554 -0.131 0.000 2.930 417 T HA 0.381 4.732 4.350 0.001 0.000 0.290 417 T C 0.876 175.535 174.700 -0.067 0.000 1.052 417 T CA -0.060 61.978 62.100 -0.103 0.000 1.017 417 T CB 0.710 69.504 68.868 -0.125 0.000 1.137 417 T HN 0.580 nan 8.240 nan 0.000 0.511 418 C N 0.399 119.655 119.300 -0.075 0.000 2.413 418 C HA -0.054 4.407 4.460 0.001 0.000 0.276 418 C C 2.515 177.380 174.990 -0.209 0.000 1.248 418 C CA 1.526 60.463 59.018 -0.135 0.000 1.742 418 C CB -1.402 26.223 27.740 -0.192 0.000 2.017 418 C HN 1.135 nan 8.230 nan 0.000 0.481 419 D N 0.661 120.948 120.400 -0.188 0.000 2.144 419 D HA -0.138 4.502 4.640 0.001 0.000 0.199 419 D C 1.649 177.905 176.300 -0.072 0.000 0.984 419 D CA 1.312 55.224 54.000 -0.147 0.000 0.834 419 D CB -0.196 40.549 40.800 -0.091 0.000 0.955 419 D HN 0.400 nan 8.370 nan 0.000 0.465 420 D N -0.627 119.739 120.400 -0.057 0.000 2.123 420 D HA -0.182 4.459 4.640 0.001 0.000 0.196 420 D C 1.749 178.082 176.300 0.055 0.000 0.992 420 D CA 0.594 54.577 54.000 -0.027 0.000 0.833 420 D CB -0.442 40.187 40.800 -0.286 0.000 0.954 420 D HN 0.301 nan 8.370 nan 0.000 0.455 421 F N 1.503 121.374 119.950 -0.131 0.000 2.102 421 F HA -0.195 4.333 4.527 0.001 0.000 0.298 421 F C 2.213 177.892 175.800 -0.202 0.000 1.105 421 F CA 0.985 58.823 58.000 -0.271 0.000 1.239 421 F CB -0.319 38.416 39.000 -0.441 0.000 0.991 421 F HN -0.227 nan 8.300 nan 0.000 0.474 422 V N 0.270 120.095 119.914 -0.148 0.000 2.343 422 V HA -0.315 3.806 4.120 0.001 0.000 0.247 422 V C 2.349 178.334 176.094 -0.181 0.000 1.051 422 V CA 2.102 64.299 62.300 -0.171 0.000 1.036 422 V CB -0.880 30.922 31.823 -0.034 0.000 0.654 422 V HN 0.360 nan 8.190 nan 0.000 0.451 423 Q N 0.511 120.248 119.800 -0.105 0.000 2.124 423 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 423 Q C 2.141 178.085 176.000 -0.093 0.000 0.977 423 Q CA 2.130 57.896 55.803 -0.060 0.000 0.850 423 Q CB -0.595 28.143 28.738 -0.000 0.000 0.901 423 Q HN 0.610 nan 8.270 nan 0.000 0.429 424 A N -0.196 122.550 122.820 -0.123 0.000 1.902 424 A HA -0.168 4.153 4.320 0.001 0.000 0.217 424 A C 2.007 179.435 177.584 -0.261 0.000 1.181 424 A CA 1.690 53.644 52.037 -0.138 0.000 0.623 424 A CB -0.496 18.461 19.000 -0.072 0.000 0.818 424 A HN 0.405 nan 8.150 nan 0.000 0.443 425 M N -0.679 118.661 119.600 -0.434 0.000 2.117 425 M HA -0.146 4.335 4.480 0.001 0.000 0.262 425 M C 2.101 178.253 176.300 -0.247 0.000 1.065 425 M CA 1.942 56.983 55.300 -0.432 0.000 1.114 425 M CB -1.227 31.033 32.600 -0.566 0.000 1.361 425 M HN 0.714 nan 8.290 nan 0.000 0.408 426 E N 0.357 120.447 120.200 -0.184 0.000 2.051 426 E HA -0.220 4.131 4.350 0.001 0.000 0.192 426 E C 1.404 177.955 176.600 -0.083 0.000 0.991 426 E CA 1.491 57.829 56.400 -0.104 0.000 0.799 426 E CB 0.146 29.813 29.700 -0.055 0.000 0.748 426 E HN 0.364 nan 8.360 nan 0.000 0.449 427 D N 0.183 120.534 120.400 -0.082 0.000 2.144 427 D HA -0.128 4.513 4.640 0.001 0.000 0.199 427 D C 1.763 178.022 176.300 -0.068 0.000 0.984 427 D CA 1.361 55.325 54.000 -0.060 0.000 0.834 427 D CB -0.272 40.499 40.800 -0.048 0.000 0.955 427 D HN 0.308 nan 8.370 nan 0.000 0.465 428 A N 0.588 123.351 122.820 -0.096 0.000 1.968 428 A HA -0.087 4.234 4.320 0.001 0.000 0.217 428 A C 2.249 179.782 177.584 -0.084 0.000 1.169 428 A CA 1.859 53.841 52.037 -0.092 0.000 0.638 428 A CB -0.238 18.689 19.000 -0.122 0.000 0.812 428 A HN 0.305 nan 8.150 nan 0.000 0.446 429 S N -1.859 113.785 115.700 -0.094 0.000 2.503 429 S HA 0.071 4.542 4.470 0.001 0.000 0.215 429 S C 0.815 175.382 174.600 -0.055 0.000 1.003 429 S CA 0.818 58.971 58.200 -0.078 0.000 0.910 429 S CB -0.200 62.943 63.200 -0.095 0.000 0.790 429 S HN 0.655 nan 8.310 nan 0.000 0.514 430 N N -0.030 118.640 118.700 -0.049 0.000 2.829 430 N HA -0.152 4.588 4.740 0.001 0.000 0.250 430 N C -1.029 174.469 175.510 -0.020 0.000 1.090 430 N CA 0.816 53.848 53.050 -0.030 0.000 0.781 430 N CB -1.907 36.566 38.487 -0.024 0.000 1.124 430 N HN 0.362 nan 8.380 nan 0.000 0.559 431 V N 1.091 120.988 119.914 -0.029 0.000 2.407 431 V HA 0.234 4.354 4.120 0.001 0.000 0.278 431 V C 0.378 176.479 176.094 0.010 0.000 1.037 431 V CA -0.583 61.710 62.300 -0.010 0.000 0.900 431 V CB 1.405 33.206 31.823 -0.037 0.000 0.983 431 V HN 0.297 nan 8.190 nan 0.000 0.459 432 D N 4.645 125.077 120.400 0.053 0.000 2.346 432 D HA 0.144 4.785 4.640 0.001 0.000 0.260 432 D C 0.419 176.809 176.300 0.149 0.000 1.252 432 D CA 0.314 54.366 54.000 0.085 0.000 0.895 432 D CB 0.672 41.526 40.800 0.090 0.000 1.097 432 D HN 0.470 nan 8.370 nan 0.000 0.489 433 L N 3.168 124.475 121.223 0.140 0.000 2.965 433 L HA 0.085 4.426 4.340 0.001 0.000 0.254 433 L C 1.998 179.049 176.870 0.303 0.000 1.220 433 L CA -0.173 54.807 54.840 0.233 0.000 1.023 433 L CB -0.065 42.065 42.059 0.117 0.000 1.355 433 L HN 0.396 nan 8.230 nan 0.000 0.545 434 S N -1.278 114.564 115.700 0.236 0.000 2.356 434 S HA -0.293 4.177 4.470 0.001 0.000 0.223 434 S C 1.875 176.648 174.600 0.288 0.000 1.032 434 S CA 1.507 59.830 58.200 0.206 0.000 1.005 434 S CB -0.514 62.767 63.200 0.135 0.000 0.867 434 S HN 0.616 nan 8.310 nan 0.000 0.449 435 H N -0.390 118.803 119.070 0.206 0.000 2.357 435 H HA -0.028 4.529 4.556 0.001 0.000 0.301 435 H C 1.985 177.480 175.328 0.277 0.000 1.082 435 H CA 1.121 57.282 56.048 0.188 0.000 1.342 435 H CB -0.242 29.611 29.762 0.151 0.000 1.389 435 H HN 0.455 nan 8.280 nan 0.000 0.511 436 F N 1.994 122.141 119.950 0.329 0.000 2.192 436 F HA -0.196 4.331 4.527 0.001 0.000 0.301 436 F C 2.405 178.437 175.800 0.387 0.000 1.079 436 F CA 1.322 59.516 58.000 0.324 0.000 1.303 436 F CB -0.197 38.955 39.000 0.252 0.000 1.024 436 F HN 0.037 nan 8.300 nan 0.000 0.494 437 R N -0.207 120.532 120.500 0.399 0.000 2.211 437 R HA -0.221 4.119 4.340 0.001 0.000 0.240 437 R C 2.302 178.760 176.300 0.264 0.000 1.144 437 R CA 1.332 57.641 56.100 0.347 0.000 0.992 437 R CB -0.473 29.961 30.300 0.223 0.000 0.869 437 R HN 0.303 nan 8.270 nan 0.000 0.462 438 R N -0.011 120.565 120.500 0.127 0.000 2.200 438 R HA -0.173 4.167 4.340 0.001 0.000 0.234 438 R C 1.267 177.537 176.300 -0.050 0.000 1.127 438 R CA 1.302 57.416 56.100 0.024 0.000 0.989 438 R CB -0.158 30.123 30.300 -0.031 0.000 0.869 438 R HN 0.315 nan 8.270 nan 0.000 0.459 439 W N -0.789 120.401 121.300 -0.183 0.000 2.421 439 W HA -0.158 4.503 4.660 0.001 0.000 0.270 439 W C 1.236 177.622 176.519 -0.223 0.000 1.233 439 W CA 0.616 57.779 57.345 -0.304 0.000 1.226 439 W CB -0.086 28.986 29.460 -0.647 0.000 1.121 439 W HN 0.163 nan 8.180 nan 0.000 0.579 440 Y N -1.484 118.895 120.300 0.132 0.000 2.475 440 Y HA -0.075 4.475 4.550 0.001 0.000 0.289 440 Y C 2.288 178.248 175.900 0.099 0.000 1.121 440 Y CA 1.200 59.373 58.100 0.121 0.000 1.257 440 Y CB -0.271 38.258 38.460 0.116 0.000 1.026 440 Y HN -0.231 nan 8.280 nan 0.000 0.555 441 S N -1.158 114.664 115.700 0.204 0.000 2.511 441 S HA 0.043 4.514 4.470 0.001 0.000 0.214 441 S C 0.454 175.102 174.600 0.081 0.000 0.997 441 S CA -0.253 58.028 58.200 0.134 0.000 0.908 441 S CB 0.244 63.509 63.200 0.108 0.000 0.803 441 S HN 0.299 nan 8.310 nan 0.000 0.504 442 Q N 2.193 122.017 119.800 0.040 0.000 2.316 442 Q HA 0.471 4.812 4.340 0.001 0.000 0.264 442 Q C -0.382 175.625 176.000 0.012 0.000 0.987 442 Q CA -0.509 55.293 55.803 -0.002 0.000 0.852 442 Q CB 1.168 29.852 28.738 -0.090 0.000 1.287 442 Q HN 0.353 nan 8.270 nan 0.000 0.448 443 S N 2.249 117.965 115.700 0.026 0.000 2.713 443 S HA 0.936 5.406 4.470 0.001 0.000 0.277 443 S C 0.289 174.887 174.600 -0.003 0.000 1.168 443 S CA 0.014 58.229 58.200 0.026 0.000 0.994 443 S CB 1.295 64.528 63.200 0.055 0.000 1.054 443 S HN 1.193 nan 8.310 nan 0.000 0.555 444 G N -0.187 108.609 108.800 -0.008 0.000 2.730 444 G HA2 0.024 3.984 3.960 0.001 0.000 0.686 444 G HA3 0.024 3.984 3.960 0.001 0.000 0.686 444 G C -0.567 174.297 174.900 -0.060 0.000 1.343 444 G CA -0.525 44.555 45.100 -0.033 0.000 0.826 444 G HN 1.090 nan 8.290 nan 0.000 0.582 445 T N 3.663 118.138 114.554 -0.131 0.000 2.744 445 T HA 0.598 4.949 4.350 0.001 0.000 0.291 445 T C -2.133 172.475 174.700 -0.154 0.000 0.957 445 T CA -0.644 61.318 62.100 -0.230 0.000 1.002 445 T CB 1.720 70.227 68.868 -0.602 0.000 0.919 445 T HN 0.499 nan 8.240 nan 0.000 0.468 446 P HA 0.334 nan 4.420 nan 0.000 0.272 446 P C -0.618 176.672 177.300 -0.017 0.000 1.223 446 P CA -0.412 62.656 63.100 -0.053 0.000 0.784 446 P CB 0.560 32.237 31.700 -0.038 0.000 0.923 447 I N 1.782 122.351 120.570 -0.002 0.000 2.389 447 I HA 0.249 4.420 4.170 0.001 0.000 0.288 447 I C -0.556 175.594 176.117 0.055 0.000 0.999 447 I CA -0.905 60.416 61.300 0.036 0.000 1.129 447 I CB 1.705 39.717 38.000 0.020 0.000 1.288 447 I HN -0.063 nan 8.210 nan 0.000 0.444 448 V N 5.394 125.370 119.914 0.104 0.000 2.347 448 V HA 0.323 4.443 4.120 0.001 0.000 0.280 448 V C 0.195 176.341 176.094 0.087 0.000 1.021 448 V CA -0.336 62.016 62.300 0.085 0.000 0.847 448 V CB 1.515 33.423 31.823 0.142 0.000 0.990 448 V HN 0.702 nan 8.190 nan 0.000 0.444 449 T N 4.965 119.539 114.554 0.034 0.000 2.795 449 T HA 0.611 4.962 4.350 0.001 0.000 0.282 449 T C -0.293 174.418 174.700 0.018 0.000 0.980 449 T CA -0.331 61.793 62.100 0.040 0.000 1.012 449 T CB 1.529 70.407 68.868 0.017 0.000 0.936 449 T HN 0.353 nan 8.240 nan 0.000 0.457 450 V N 4.317 124.275 119.914 0.074 0.000 2.540 450 V HA 0.534 4.655 4.120 0.001 0.000 0.302 450 V C -0.262 175.913 176.094 0.136 0.000 1.035 450 V CA -0.928 61.428 62.300 0.095 0.000 0.873 450 V CB 1.907 33.819 31.823 0.149 0.000 0.992 450 V HN 0.750 nan 8.190 nan 0.000 0.428 451 K N 3.262 123.704 120.400 0.071 0.000 2.371 451 K HA 0.686 5.006 4.320 0.001 0.000 0.251 451 K C -1.455 175.169 176.600 0.041 0.000 0.934 451 K CA -0.838 55.464 56.287 0.024 0.000 0.798 451 K CB 2.464 34.949 32.500 -0.025 0.000 1.204 451 K HN 0.897 nan 8.250 nan 0.000 0.427 452 D N 0.256 120.688 120.400 0.053 0.000 2.533 452 D HA 0.496 5.136 4.640 0.001 0.000 0.247 452 D C -1.278 175.019 176.300 -0.006 0.000 1.056 452 D CA -0.560 53.429 54.000 -0.020 0.000 1.054 452 D CB 1.787 42.624 40.800 0.062 0.000 1.400 452 D HN 0.433 nan 8.370 nan 0.000 0.533 453 D N -1.594 118.774 120.400 -0.053 0.000 2.937 453 D HA 0.287 4.927 4.640 0.001 0.000 0.215 453 D C -2.146 174.264 176.300 0.183 0.000 1.274 453 D CA -0.525 53.509 54.000 0.057 0.000 0.869 453 D CB 1.125 41.921 40.800 -0.006 0.000 1.675 453 D HN 0.343 nan 8.370 nan 0.000 0.538 454 Y N 3.751 124.137 120.300 0.142 0.000 2.328 454 Y HA 0.516 5.066 4.550 0.001 0.000 0.337 454 Y C -1.040 174.905 175.900 0.075 0.000 0.966 454 Y CA -0.974 57.236 58.100 0.183 0.000 1.136 454 Y CB 1.133 39.690 38.460 0.162 0.000 1.170 454 Y HN 0.359 nan 8.280 nan 0.000 0.470 455 N N 8.785 127.164 118.700 -0.535 0.000 2.485 455 N HA 0.255 4.996 4.740 0.001 0.000 0.243 455 N C -2.146 172.954 175.510 -0.683 0.000 0.987 455 N CA -2.259 50.526 53.050 -0.442 0.000 0.940 455 N CB 1.805 40.159 38.487 -0.222 0.000 1.122 455 N HN 0.439 nan 8.380 nan 0.000 0.509 456 P HA -0.088 nan 4.420 nan 0.000 0.221 456 P C 0.527 177.734 177.300 -0.155 0.000 1.150 456 P CA 1.120 64.024 63.100 -0.326 0.000 0.800 456 P CB 0.680 32.316 31.700 -0.107 0.000 0.787 457 E N -0.111 120.011 120.200 -0.131 0.000 2.106 457 E HA -0.094 4.256 4.350 0.001 0.000 0.192 457 E C 1.754 178.321 176.600 -0.055 0.000 0.984 457 E CA 1.931 58.290 56.400 -0.068 0.000 0.806 457 E CB -0.375 29.290 29.700 -0.058 0.000 0.750 457 E HN 0.406 nan 8.360 nan 0.000 0.458 458 T N -2.685 111.816 114.554 -0.087 0.000 3.023 458 T HA 0.131 4.481 4.350 0.001 0.000 0.253 458 T C 0.217 174.896 174.700 -0.035 0.000 1.038 458 T CA -0.178 61.892 62.100 -0.049 0.000 0.962 458 T CB 0.154 68.992 68.868 -0.051 0.000 1.018 458 T HN 0.079 nan 8.240 nan 0.000 0.521 459 E N 1.179 121.321 120.200 -0.096 0.000 2.389 459 E HA -0.175 4.176 4.350 0.001 0.000 0.243 459 E C -0.668 175.949 176.600 0.029 0.000 1.154 459 E CA 0.282 56.670 56.400 -0.020 0.000 0.723 459 E CB -1.443 28.340 29.700 0.139 0.000 1.261 459 E HN 0.732 nan 8.360 nan 0.000 0.390 460 Q N 0.072 119.844 119.800 -0.047 0.000 2.365 460 Q HA 0.531 4.872 4.340 0.001 0.000 0.269 460 Q C -1.077 175.054 176.000 0.218 0.000 1.061 460 Q CA -0.814 55.045 55.803 0.094 0.000 0.816 460 Q CB 1.931 30.689 28.738 0.034 0.000 1.325 460 Q HN 0.245 nan 8.270 nan 0.000 0.446 461 Y N 0.975 121.416 120.300 0.236 0.000 2.335 461 Y HA 0.406 4.957 4.550 0.001 0.000 0.338 461 Y C -1.030 175.052 175.900 0.303 0.000 0.977 461 Y CA -0.340 57.948 58.100 0.313 0.000 1.114 461 Y CB 1.616 40.276 38.460 0.333 0.000 1.182 461 Y HN 0.471 nan 8.280 nan 0.000 0.463 462 T N 7.589 122.017 114.554 -0.210 0.000 2.792 462 T HA 0.522 4.872 4.350 0.001 0.000 0.280 462 T C -0.780 173.739 174.700 -0.301 0.000 0.990 462 T CA -0.606 61.388 62.100 -0.177 0.000 0.960 462 T CB 0.720 69.527 68.868 -0.101 0.000 0.939 462 T HN 0.514 nan 8.240 nan 0.000 0.439 463 L N 3.138 124.308 121.223 -0.087 0.000 2.287 463 L HA 0.449 4.789 4.340 0.001 0.000 0.287 463 L C 0.141 177.055 176.870 0.073 0.000 1.022 463 L CA -0.679 54.159 54.840 -0.003 0.000 0.814 463 L CB 1.507 43.668 42.059 0.171 0.000 1.217 463 L HN 0.600 nan 8.230 nan 0.000 0.420 464 T N 4.960 119.523 114.554 0.015 0.000 2.801 464 T HA 0.541 4.891 4.350 0.001 0.000 0.306 464 T C -0.012 174.696 174.700 0.012 0.000 1.020 464 T CA -0.174 61.926 62.100 -0.000 0.000 0.948 464 T CB 0.369 69.217 68.868 -0.033 0.000 0.962 464 T HN 0.264 nan 8.240 nan 0.000 0.465 465 I N 2.568 123.160 120.570 0.037 0.000 2.404 465 I HA 0.457 4.628 4.170 0.001 0.000 0.293 465 I C 0.263 176.367 176.117 -0.022 0.000 0.992 465 I CA -0.583 60.703 61.300 -0.022 0.000 1.149 465 I CB 1.767 39.723 38.000 -0.073 0.000 1.315 465 I HN 0.488 nan 8.210 nan 0.000 0.446 466 S N 4.955 120.632 115.700 -0.038 0.000 2.600 466 S HA 0.662 5.133 4.470 0.001 0.000 0.300 466 S C -0.931 173.656 174.600 -0.021 0.000 1.087 466 S CA -0.829 57.356 58.200 -0.025 0.000 0.965 466 S CB 2.215 65.402 63.200 -0.022 0.000 1.089 466 S HN 0.672 nan 8.310 nan 0.000 0.496 467 Q N 0.605 120.397 119.800 -0.014 0.000 2.416 467 Q HA 0.793 5.134 4.340 0.001 0.000 0.281 467 Q C -1.278 174.711 176.000 -0.020 0.000 1.067 467 Q CA -1.235 54.562 55.803 -0.010 0.000 0.809 467 Q CB 2.112 30.847 28.738 -0.005 0.000 1.418 467 Q HN 0.766 nan 8.270 nan 0.000 0.411 468 R N -0.165 120.320 120.500 -0.024 0.000 2.604 468 R HA 0.548 4.889 4.340 0.001 0.000 0.261 468 R C -1.728 174.546 176.300 -0.044 0.000 1.080 468 R CA -0.662 55.417 56.100 -0.034 0.000 0.917 468 R CB 1.879 32.165 30.300 -0.023 0.000 1.252 468 R HN 0.587 nan 8.270 nan 0.000 0.456 469 T N 4.324 118.844 114.554 -0.057 0.000 2.791 469 T HA 0.426 4.777 4.350 0.001 0.000 0.288 469 T C -2.430 172.243 174.700 -0.045 0.000 0.999 469 T CA -1.322 60.740 62.100 -0.065 0.000 0.952 469 T CB 1.584 70.396 68.868 -0.094 0.000 0.938 469 T HN 0.475 nan 8.240 nan 0.000 0.444 470 P HA 0.274 nan 4.420 nan 0.000 0.269 470 P C -0.250 177.040 177.300 -0.017 0.000 1.209 470 P CA -0.435 62.651 63.100 -0.022 0.000 0.776 470 P CB 0.525 32.214 31.700 -0.018 0.000 0.876 471 A N 3.078 125.893 122.820 -0.008 0.000 2.507 471 A HA 0.420 4.740 4.320 0.001 0.000 0.235 471 A C 0.808 178.397 177.584 0.009 0.000 1.070 471 A CA 0.427 52.464 52.037 0.001 0.000 0.768 471 A CB -0.592 18.411 19.000 0.006 0.000 1.011 471 A HN 0.698 nan 8.150 nan 0.000 0.502 472 T N -1.155 113.411 114.554 0.019 0.000 2.926 472 T HA 0.624 4.975 4.350 0.001 0.000 0.289 472 T C -2.324 172.402 174.700 0.044 0.000 1.054 472 T CA -1.577 60.542 62.100 0.031 0.000 1.015 472 T CB 1.410 70.300 68.868 0.037 0.000 1.167 472 T HN 0.249 nan 8.240 nan 0.000 0.526 473 P HA -0.069 nan 4.420 nan 0.000 0.219 473 P C 1.097 178.440 177.300 0.072 0.000 1.146 473 P CA 1.016 64.151 63.100 0.058 0.000 0.808 473 P CB 0.036 31.773 31.700 0.061 0.000 0.779 474 D N -1.792 118.660 120.400 0.087 0.000 2.346 474 D HA -0.043 4.597 4.640 0.001 0.000 0.206 474 D C 0.384 176.739 176.300 0.092 0.000 1.001 474 D CA 0.574 54.638 54.000 0.105 0.000 0.871 474 D CB -0.015 40.869 40.800 0.141 0.000 0.943 474 D HN 0.240 nan 8.370 nan 0.000 0.518 475 Q N -0.200 119.641 119.800 0.069 0.000 2.269 475 Q HA 0.578 4.919 4.340 0.001 0.000 0.263 475 Q C -0.382 175.639 176.000 0.036 0.000 0.983 475 Q CA -0.488 55.347 55.803 0.054 0.000 0.777 475 Q CB 2.372 31.139 28.738 0.049 0.000 1.273 475 Q HN 0.055 nan 8.270 nan 0.000 0.440 476 A N 2.356 125.195 122.820 0.032 0.000 2.072 476 A HA -0.035 4.285 4.320 0.001 0.000 0.216 476 A C 0.629 178.219 177.584 0.011 0.000 1.156 476 A CA 0.784 52.833 52.037 0.021 0.000 0.701 476 A CB 0.259 19.271 19.000 0.021 0.000 0.816 476 A HN 0.646 nan 8.150 nan 0.000 0.458 477 E N 0.931 121.138 120.200 0.011 0.000 2.156 477 E HA 0.383 4.733 4.350 0.001 0.000 0.279 477 E C -1.111 175.485 176.600 -0.007 0.000 0.965 477 E CA -0.645 55.756 56.400 0.001 0.000 0.789 477 E CB 0.521 30.222 29.700 0.002 0.000 1.098 477 E HN 0.008 nan 8.360 nan 0.000 0.397 478 K N 3.250 123.639 120.400 -0.018 0.000 2.422 478 K HA 0.405 4.726 4.320 0.001 0.000 0.251 478 K C -0.784 175.791 176.600 -0.040 0.000 0.933 478 K CA -0.722 55.544 56.287 -0.034 0.000 0.798 478 K CB 2.209 34.686 32.500 -0.039 0.000 1.238 478 K HN 0.607 nan 8.250 nan 0.000 0.428 479 Q N 1.283 121.050 119.800 -0.055 0.000 2.484 479 Q HA 0.468 4.809 4.340 0.001 0.000 0.285 479 Q C -2.430 173.535 176.000 -0.059 0.000 1.097 479 Q CA -2.096 53.679 55.803 -0.047 0.000 0.802 479 Q CB 2.479 31.196 28.738 -0.035 0.000 1.444 479 Q HN 0.314 nan 8.270 nan 0.000 0.429 480 P HA 0.091 nan 4.420 nan 0.000 0.271 480 P C -0.950 176.382 177.300 0.053 0.000 1.218 480 P CA 0.229 63.329 63.100 -0.001 0.000 0.780 480 P CB 0.780 32.505 31.700 0.042 0.000 0.901 481 L N 1.194 122.324 121.223 -0.156 0.000 2.304 481 L HA 0.402 4.742 4.340 0.001 0.000 0.268 481 L C 0.980 177.596 176.870 -0.422 0.000 1.010 481 L CA -1.025 53.536 54.840 -0.466 0.000 0.813 481 L CB 0.983 42.429 42.059 -1.022 0.000 1.315 481 L HN 0.492 nan 8.230 nan 0.000 0.445 482 H N 1.705 120.363 119.070 -0.688 0.000 2.820 482 H HA 0.409 4.966 4.556 0.001 0.000 0.278 482 H C -0.865 174.631 175.328 0.282 0.000 1.142 482 H CA -0.592 55.319 56.048 -0.229 0.000 1.346 482 H CB 0.383 30.086 29.762 -0.097 0.000 1.438 482 H HN 0.341 nan 8.280 nan 0.000 0.473 483 I N 8.179 129.040 120.570 0.485 0.000 2.307 483 I HA 0.207 4.377 4.170 0.001 0.000 0.289 483 I C -2.321 174.042 176.117 0.411 0.000 1.021 483 I CA -2.282 59.308 61.300 0.483 0.000 1.224 483 I CB 1.507 39.729 38.000 0.371 0.000 1.376 483 I HN 0.513 nan 8.210 nan 0.000 0.470 484 P HA 0.091 nan 4.420 nan 0.000 0.276 484 P C -0.832 176.590 177.300 0.204 0.000 1.264 484 P CA 0.046 63.262 63.100 0.193 0.000 0.769 484 P CB 0.122 31.856 31.700 0.057 0.000 0.840 485 F N 4.095 124.070 119.950 0.042 0.000 2.359 485 F HA 0.576 5.103 4.527 0.001 0.000 0.369 485 F C 0.025 175.815 175.800 -0.017 0.000 1.084 485 F CA -0.845 57.160 58.000 0.008 0.000 1.096 485 F CB 0.438 39.427 39.000 -0.019 0.000 1.335 485 F HN 0.252 nan 8.300 nan 0.000 0.457 486 A N 7.263 129.942 122.820 -0.235 0.000 2.401 486 A HA 0.650 4.971 4.320 0.001 0.000 0.259 486 A C -0.303 177.149 177.584 -0.220 0.000 1.103 486 A CA -0.295 51.647 52.037 -0.158 0.000 0.789 486 A CB 0.030 18.964 19.000 -0.110 0.000 1.035 486 A HN 0.853 nan 8.150 nan 0.000 0.491 487 I N -1.432 119.079 120.570 -0.097 0.000 3.174 487 I HA 0.940 5.110 4.170 0.001 0.000 0.313 487 I C -0.783 175.276 176.117 -0.098 0.000 1.155 487 I CA -0.920 60.334 61.300 -0.077 0.000 0.977 487 I CB 2.392 40.382 38.000 -0.017 0.000 1.248 487 I HN 0.656 nan 8.210 nan 0.000 0.453 488 E N 2.627 122.758 120.200 -0.116 0.000 2.354 488 E HA 0.582 4.933 4.350 0.001 0.000 0.283 488 E C -2.142 174.245 176.600 -0.356 0.000 0.938 488 E CA -0.640 55.608 56.400 -0.254 0.000 0.777 488 E CB 2.323 31.884 29.700 -0.231 0.000 1.222 488 E HN 0.723 nan 8.360 nan 0.000 0.423 489 L N 4.100 125.032 121.223 -0.486 0.000 2.322 489 L HA 0.559 4.899 4.340 0.001 0.000 0.281 489 L C -1.100 175.453 176.870 -0.528 0.000 1.014 489 L CA -0.946 53.640 54.840 -0.423 0.000 0.815 489 L CB 0.979 42.807 42.059 -0.385 0.000 1.247 489 L HN 0.570 nan 8.230 nan 0.000 0.421 490 Y N 0.236 120.516 120.300 -0.034 0.000 2.393 490 Y HA 0.302 4.853 4.550 0.001 0.000 0.341 490 Y C 0.165 176.060 175.900 -0.009 0.000 0.988 490 Y CA -1.198 56.929 58.100 0.045 0.000 1.078 490 Y CB 1.507 40.123 38.460 0.259 0.000 1.203 490 Y HN 0.627 nan 8.280 nan 0.000 0.453 491 D N -0.646 119.834 120.400 0.133 0.000 2.447 491 D HA 0.037 4.677 4.640 0.001 0.000 0.265 491 D C 0.686 176.963 176.300 -0.037 0.000 1.250 491 D CA -0.491 53.510 54.000 0.002 0.000 1.046 491 D CB 0.367 41.126 40.800 -0.069 0.000 1.095 491 D HN 0.615 nan 8.370 nan 0.000 0.555 492 N N -1.013 117.486 118.700 -0.336 0.000 2.348 492 N HA -0.180 4.560 4.740 0.001 0.000 0.185 492 N C 0.610 176.066 175.510 -0.089 0.000 1.019 492 N CA 0.624 53.503 53.050 -0.286 0.000 0.880 492 N CB 0.096 38.184 38.487 -0.665 0.000 0.965 492 N HN 0.430 nan 8.380 nan 0.000 0.437 493 E N -1.118 118.999 120.200 -0.138 0.000 2.481 493 E HA 0.122 4.473 4.350 0.001 0.000 0.198 493 E C 0.751 177.167 176.600 -0.306 0.000 1.027 493 E CA 0.199 56.493 56.400 -0.177 0.000 0.900 493 E CB 0.667 30.287 29.700 -0.133 0.000 0.993 493 E HN 0.436 nan 8.360 nan 0.000 0.482 494 G N 2.045 110.730 108.800 -0.191 0.000 2.157 494 G HA2 -0.227 3.733 3.960 0.001 0.000 0.248 494 G HA3 -0.227 3.733 3.960 0.001 0.000 0.248 494 G C 0.152 175.109 174.900 0.096 0.000 0.979 494 G CA -0.132 44.813 45.100 -0.258 0.000 0.650 494 G HN -0.012 nan 8.290 nan 0.000 0.529 495 K N 0.622 121.082 120.400 0.100 0.000 2.174 495 K HA 0.522 4.842 4.320 0.001 0.000 0.275 495 K C 0.767 177.442 176.600 0.126 0.000 1.015 495 K CA -0.576 55.775 56.287 0.107 0.000 0.933 495 K CB 1.984 34.502 32.500 0.031 0.000 1.025 495 K HN 0.096 nan 8.250 nan 0.000 0.463 496 V N 4.469 124.417 119.914 0.057 0.000 2.585 496 V HA 0.070 4.190 4.120 0.001 0.000 0.296 496 V C 0.799 176.830 176.094 -0.105 0.000 1.035 496 V CA -0.119 62.105 62.300 -0.128 0.000 1.084 496 V CB 0.184 31.931 31.823 -0.126 0.000 0.953 496 V HN 0.519 nan 8.190 nan 0.000 0.483 497 I N 7.183 127.651 120.570 -0.170 0.000 2.325 497 I HA 0.293 4.463 4.170 0.001 0.000 0.291 497 I C -2.080 173.960 176.117 -0.129 0.000 1.019 497 I CA -1.807 59.419 61.300 -0.124 0.000 1.302 497 I CB 1.409 39.318 38.000 -0.151 0.000 1.401 497 I HN 0.453 nan 8.210 nan 0.000 0.485 498 P HA 0.083 nan 4.420 nan 0.000 0.264 498 P C -0.787 176.486 177.300 -0.045 0.000 1.193 498 P CA 0.060 63.132 63.100 -0.046 0.000 0.763 498 P CB 0.368 32.066 31.700 -0.004 0.000 0.810 499 L N 4.671 125.877 121.223 -0.028 0.000 2.281 499 L HA 0.380 4.721 4.340 0.001 0.000 0.285 499 L C 0.840 177.806 176.870 0.159 0.000 1.074 499 L CA 0.068 54.930 54.840 0.036 0.000 0.817 499 L CB 0.188 42.239 42.059 -0.013 0.000 1.168 499 L HN 0.514 nan 8.230 nan 0.000 0.434 500 Q N 2.952 122.896 119.800 0.240 0.000 2.630 500 Q HA 0.752 5.093 4.340 0.001 0.000 0.295 500 Q C -1.541 174.577 176.000 0.196 0.000 0.944 500 Q CA -1.311 54.608 55.803 0.194 0.000 0.766 500 Q CB 2.552 31.355 28.738 0.108 0.000 1.471 500 Q HN 0.228 nan 8.270 nan 0.000 0.416 501 K N -0.598 119.881 120.400 0.131 0.000 2.575 501 K HA 0.470 4.791 4.320 0.001 0.000 0.255 501 K C -0.215 176.424 176.600 0.065 0.000 0.953 501 K CA 0.601 56.936 56.287 0.079 0.000 0.840 501 K CB 1.493 34.013 32.500 0.032 0.000 1.303 501 K HN 1.120 nan 8.250 nan 0.000 0.438 502 G N 2.292 111.107 108.800 0.025 0.000 2.225 502 G HA2 -0.062 3.899 3.960 0.001 0.000 0.267 502 G HA3 -0.062 3.899 3.960 0.001 0.000 0.267 502 G C 0.931 175.747 174.900 -0.140 0.000 1.024 502 G CA 1.089 46.185 45.100 -0.007 0.000 0.784 502 G HN 1.916 nan 8.290 nan 0.000 0.507 503 G N -1.712 107.008 108.800 -0.135 0.000 2.143 503 G HA2 -0.222 3.739 3.960 0.001 0.000 0.249 503 G HA3 -0.222 3.739 3.960 0.001 0.000 0.249 503 G C 0.056 174.731 174.900 -0.375 0.000 0.981 503 G CA 0.828 45.779 45.100 -0.248 0.000 0.665 503 G HN 1.444 nan 8.290 nan 0.000 0.528 504 H N -0.073 119.025 119.070 0.046 0.000 2.600 504 H HA 0.430 4.987 4.556 0.001 0.000 0.357 504 H C -2.545 172.820 175.328 0.062 0.000 1.106 504 H CA -1.956 54.120 56.048 0.047 0.000 1.193 504 H CB 2.002 31.787 29.762 0.039 0.000 1.594 504 H HN 0.051 nan 8.280 nan 0.000 0.526 505 P HA 0.037 nan 4.420 nan 0.000 0.269 505 P C -0.433 176.958 177.300 0.150 0.000 1.209 505 P CA -0.182 63.002 63.100 0.140 0.000 0.776 505 P CB 0.863 32.626 31.700 0.104 0.000 0.876 506 V N 2.861 122.875 119.914 0.167 0.000 2.604 506 V HA 0.276 4.396 4.120 0.001 0.000 0.305 506 V C 0.348 176.540 176.094 0.163 0.000 1.043 506 V CA -0.877 61.538 62.300 0.193 0.000 0.888 506 V CB 1.721 33.729 31.823 0.308 0.000 0.995 506 V HN 0.553 nan 8.190 nan 0.000 0.429 507 N N 2.187 120.968 118.700 0.135 0.000 2.492 507 N HA -0.023 4.717 4.740 0.001 0.000 0.262 507 N C 1.431 177.004 175.510 0.104 0.000 1.202 507 N CA 0.731 53.839 53.050 0.097 0.000 0.926 507 N CB 1.587 40.123 38.487 0.082 0.000 1.078 507 N HN 0.854 nan 8.380 nan 0.000 0.454 508 S N 1.720 117.453 115.700 0.054 0.000 2.474 508 S HA -0.050 4.420 4.470 0.001 0.000 0.235 508 S C 0.827 175.445 174.600 0.029 0.000 0.997 508 S CA 0.205 58.419 58.200 0.022 0.000 0.949 508 S CB 0.002 63.190 63.200 -0.021 0.000 0.766 508 S HN 0.285 nan 8.310 nan 0.000 0.517 509 V N 3.577 123.517 119.914 0.043 0.000 2.339 509 V HA 0.332 4.453 4.120 0.001 0.000 0.261 509 V C 0.025 176.169 176.094 0.084 0.000 1.058 509 V CA -0.497 61.832 62.300 0.049 0.000 0.897 509 V CB 0.357 32.203 31.823 0.039 0.000 1.052 509 V HN 0.434 nan 8.190 nan 0.000 0.480 510 L N 4.512 125.776 121.223 0.067 0.000 2.371 510 L HA 0.364 4.704 4.340 0.001 0.000 0.272 510 L C 0.428 177.363 176.870 0.108 0.000 1.124 510 L CA -0.156 54.667 54.840 -0.027 0.000 0.816 510 L CB 0.440 42.231 42.059 -0.447 0.000 1.129 510 L HN 0.576 nan 8.230 nan 0.000 0.448 511 N N 1.732 120.558 118.700 0.210 0.000 2.602 511 N HA 0.186 4.927 4.740 0.001 0.000 0.238 511 N C -0.822 174.892 175.510 0.340 0.000 1.084 511 N CA -0.307 52.929 53.050 0.310 0.000 0.952 511 N CB 1.072 39.709 38.487 0.250 0.000 1.244 511 N HN 0.262 nan 8.380 nan 0.000 0.512 512 V N 2.419 122.522 119.914 0.315 0.000 2.338 512 V HA 0.072 4.192 4.120 0.001 0.000 0.255 512 V C 1.284 177.507 176.094 0.215 0.000 1.082 512 V CA 0.164 62.633 62.300 0.281 0.000 0.951 512 V CB 0.018 31.935 31.823 0.156 0.000 1.102 512 V HN 0.779 nan 8.190 nan 0.000 0.489 513 T N 0.521 115.176 114.554 0.168 0.000 2.985 513 T HA 0.242 4.592 4.350 0.001 0.000 0.254 513 T C 0.586 175.392 174.700 0.177 0.000 1.021 513 T CA -0.254 61.945 62.100 0.165 0.000 0.957 513 T CB 0.515 69.453 68.868 0.117 0.000 1.047 513 T HN 0.445 nan 8.240 nan 0.000 0.511 514 Q N 0.272 120.124 119.800 0.087 0.000 2.240 514 Q HA 0.766 5.107 4.340 0.001 0.000 0.260 514 Q C 1.327 177.337 176.000 0.016 0.000 1.018 514 Q CA -0.220 55.601 55.803 0.031 0.000 0.898 514 Q CB 1.367 30.094 28.738 -0.019 0.000 1.301 514 Q HN 0.192 nan 8.270 nan 0.000 0.469 515 A N 0.271 123.086 122.820 -0.008 0.000 1.933 515 A HA -0.121 4.199 4.320 0.001 0.000 0.218 515 A C 0.595 178.166 177.584 -0.021 0.000 1.175 515 A CA 1.624 53.652 52.037 -0.016 0.000 0.628 515 A CB 0.104 19.089 19.000 -0.026 0.000 0.814 515 A HN 0.651 nan 8.150 nan 0.000 0.444 516 E N -0.755 119.426 120.200 -0.032 0.000 2.352 516 E HA 0.422 4.772 4.350 0.001 0.000 0.280 516 E C -1.644 174.910 176.600 -0.077 0.000 0.930 516 E CA -0.772 55.602 56.400 -0.044 0.000 0.765 516 E CB 0.966 30.637 29.700 -0.048 0.000 1.219 516 E HN 0.421 nan 8.360 nan 0.000 0.434 517 Q N 1.201 120.940 119.800 -0.102 0.000 2.578 517 Q HA 0.383 4.723 4.340 0.001 0.000 0.284 517 Q C -1.470 174.357 176.000 -0.288 0.000 0.960 517 Q CA -0.890 54.777 55.803 -0.226 0.000 0.809 517 Q CB 1.607 30.160 28.738 -0.308 0.000 1.462 517 Q HN 0.551 nan 8.270 nan 0.000 0.392 518 T N -1.343 112.955 114.554 -0.426 0.000 2.885 518 T HA 0.807 5.158 4.350 0.001 0.000 0.285 518 T C -0.853 173.465 174.700 -0.637 0.000 1.019 518 T CA -0.491 61.399 62.100 -0.350 0.000 1.010 518 T CB 0.770 69.510 68.868 -0.213 0.000 1.022 518 T HN 0.382 nan 8.240 nan 0.000 0.466 519 F N 1.178 121.037 119.950 -0.152 0.000 2.499 519 F HA 0.567 5.095 4.527 0.001 0.000 0.333 519 F C -0.415 175.116 175.800 -0.447 0.000 1.138 519 F CA -1.044 56.787 58.000 -0.281 0.000 0.945 519 F CB 2.149 41.058 39.000 -0.151 0.000 1.181 519 F HN 0.414 nan 8.300 nan 0.000 0.435 520 V N 4.152 123.818 119.914 -0.413 0.000 2.435 520 V HA 0.468 4.588 4.120 0.001 0.000 0.290 520 V C -0.712 175.051 176.094 -0.551 0.000 1.030 520 V CA -0.872 61.222 62.300 -0.343 0.000 0.881 520 V CB 1.462 33.181 31.823 -0.173 0.000 0.983 520 V HN 0.455 nan 8.190 nan 0.000 0.445 521 F N 2.905 122.928 119.950 0.122 0.000 2.518 521 F HA 0.570 5.098 4.527 0.001 0.000 0.323 521 F C 0.131 175.989 175.800 0.096 0.000 1.129 521 F CA -0.991 57.084 58.000 0.124 0.000 0.920 521 F CB 1.637 40.743 39.000 0.176 0.000 1.160 521 F HN 0.672 nan 8.300 nan 0.000 0.440 522 D N -0.114 120.403 120.400 0.194 0.000 2.569 522 D HA 0.312 4.952 4.640 0.001 0.000 0.266 522 D C -0.048 176.272 176.300 0.033 0.000 1.164 522 D CA -0.707 53.356 54.000 0.104 0.000 1.071 522 D CB 0.403 41.239 40.800 0.059 0.000 1.183 522 D HN 0.432 nan 8.370 nan 0.000 0.613 523 N N -1.751 116.922 118.700 -0.044 0.000 2.725 523 N HA -0.122 4.619 4.740 0.001 0.000 0.249 523 N C -0.985 174.138 175.510 -0.646 0.000 1.103 523 N CA 0.505 53.369 53.050 -0.310 0.000 0.707 523 N CB -1.086 37.294 38.487 -0.179 0.000 1.043 523 N HN 0.319 nan 8.380 nan 0.000 0.553 524 V N 2.289 122.049 119.914 -0.256 0.000 2.247 524 V HA 0.138 4.259 4.120 0.001 0.000 0.262 524 V C 0.934 177.059 176.094 0.053 0.000 1.096 524 V CA -0.497 61.737 62.300 -0.110 0.000 0.895 524 V CB -0.152 31.781 31.823 0.183 0.000 1.141 524 V HN 0.157 nan 8.190 nan 0.000 0.478 525 Y N 2.528 122.953 120.300 0.208 0.000 2.483 525 Y HA 0.078 4.628 4.550 0.001 0.000 0.291 525 Y C 0.563 176.637 175.900 0.291 0.000 1.143 525 Y CA 0.393 58.627 58.100 0.223 0.000 1.289 525 Y CB -0.316 38.239 38.460 0.159 0.000 0.983 525 Y HN 0.491 nan 8.280 nan 0.000 0.556 526 F N -0.153 119.868 119.950 0.118 0.000 2.601 526 F HA 0.359 4.887 4.527 0.001 0.000 0.309 526 F C -0.346 175.125 175.800 -0.549 0.000 1.089 526 F CA -1.922 56.029 58.000 -0.081 0.000 0.940 526 F CB 1.263 40.239 39.000 -0.040 0.000 1.273 526 F HN -0.305 nan 8.300 nan 0.000 0.450 527 Q N 6.556 125.519 119.800 -1.395 0.000 2.262 527 Q HA 0.151 4.492 4.340 0.001 0.000 0.298 527 Q C -2.411 173.285 176.000 -0.506 0.000 1.083 527 Q CA -1.203 53.784 55.803 -1.360 0.000 0.962 527 Q CB 0.559 28.718 28.738 -0.966 0.000 1.104 527 Q HN 0.259 nan 8.270 nan 0.000 0.376 528 P HA 0.188 nan 4.420 nan 0.000 0.283 528 P C -1.188 175.941 177.300 -0.286 0.000 1.271 528 P CA -0.512 62.377 63.100 -0.352 0.000 0.841 528 P CB 1.331 32.718 31.700 -0.521 0.000 1.122 529 V N 3.340 123.156 119.914 -0.162 0.000 2.370 529 V HA 0.348 4.468 4.120 0.001 0.000 0.283 529 V C -1.949 174.218 176.094 0.122 0.000 1.023 529 V CA -1.841 60.428 62.300 -0.051 0.000 0.857 529 V CB 1.411 33.085 31.823 -0.249 0.000 0.985 529 V HN 0.597 nan 8.190 nan 0.000 0.443 530 P HA 0.532 nan 4.420 nan 0.000 0.290 530 P C -1.126 176.387 177.300 0.355 0.000 1.275 530 P CA -0.652 62.537 63.100 0.149 0.000 0.841 530 P CB 2.118 33.844 31.700 0.043 0.000 1.042 531 A N 4.049 127.052 122.820 0.305 0.000 2.287 531 A HA 0.643 4.963 4.320 0.001 0.000 0.317 531 A C -0.364 177.341 177.584 0.202 0.000 1.220 531 A CA -0.729 51.508 52.037 0.333 0.000 0.835 531 A CB 0.143 19.367 19.000 0.375 0.000 1.180 531 A HN 0.485 nan 8.150 nan 0.000 0.500 532 L N 2.144 123.514 121.223 0.244 0.000 2.334 532 L HA 0.539 4.880 4.340 0.001 0.000 0.273 532 L C 0.127 176.941 176.870 -0.093 0.000 1.013 532 L CA -1.089 53.782 54.840 0.053 0.000 0.816 532 L CB 1.635 43.801 42.059 0.179 0.000 1.278 532 L HN 0.726 nan 8.230 nan 0.000 0.431 533 L N 2.208 123.049 121.223 -0.636 0.000 3.660 533 L HA -0.218 4.123 4.340 0.001 0.000 0.440 533 L C -0.204 176.608 176.870 -0.096 0.000 1.262 533 L CA 0.212 54.747 54.840 -0.508 0.000 0.837 533 L CB -1.184 40.774 42.059 -0.168 0.000 1.689 533 L HN 0.730 nan 8.230 nan 0.000 0.890 534 C N 1.768 121.013 119.300 -0.091 0.000 2.563 534 C HA 0.174 4.634 4.460 0.001 0.000 0.411 534 C C 1.787 176.787 174.990 0.017 0.000 1.386 534 C CA 0.442 59.495 59.018 0.059 0.000 1.703 534 C CB -0.230 27.530 27.740 0.034 0.000 2.596 534 C HN 0.853 nan 8.230 nan 0.000 0.605 535 E N 0.426 120.645 120.200 0.032 0.000 2.722 535 E HA -0.278 4.072 4.350 0.001 0.000 0.265 535 E C 0.218 176.576 176.600 -0.405 0.000 1.081 535 E CA 0.840 56.975 56.400 -0.442 0.000 0.781 535 E CB -1.824 27.740 29.700 -0.226 0.000 1.372 535 E HN 0.798 nan 8.360 nan 0.000 0.423 536 F N -0.913 118.860 119.950 -0.295 0.000 2.797 536 F HA -0.319 4.208 4.527 0.001 0.000 0.273 536 F C 1.350 177.088 175.800 -0.104 0.000 1.020 536 F CA 0.897 58.839 58.000 -0.097 0.000 0.961 536 F CB -1.434 37.495 39.000 -0.119 0.000 1.020 536 F HN 0.239 nan 8.300 nan 0.000 0.840 537 S N 0.359 115.963 115.700 -0.160 0.000 2.469 537 S HA 0.376 4.846 4.470 0.001 0.000 0.238 537 S C 0.894 175.364 174.600 -0.216 0.000 0.998 537 S CA 0.626 58.725 58.200 -0.168 0.000 0.957 537 S CB 0.002 63.118 63.200 -0.138 0.000 0.764 537 S HN 1.655 nan 8.310 nan 0.000 0.514 538 A N 1.366 123.970 122.820 -0.359 0.000 2.549 538 A HA 0.671 4.991 4.320 0.001 0.000 0.297 538 A C -3.131 174.065 177.584 -0.647 0.000 1.061 538 A CA -1.824 50.008 52.037 -0.341 0.000 0.690 538 A CB 1.188 20.180 19.000 -0.013 0.000 1.287 538 A HN 0.126 nan 8.150 nan 0.000 0.402 539 P HA 0.322 nan 4.420 nan 0.000 0.244 539 P C -0.306 177.075 177.300 0.135 0.000 1.769 539 P CA 0.279 63.248 63.100 -0.217 0.000 1.102 539 P CB -0.272 31.465 31.700 0.062 0.000 1.937 540 V N -0.421 119.554 119.914 0.101 0.000 3.160 540 V HA 0.599 4.719 4.120 0.001 0.000 0.310 540 V C -0.527 175.789 176.094 0.371 0.000 1.181 540 V CA -1.485 60.935 62.300 0.200 0.000 1.047 540 V CB 2.594 34.533 31.823 0.194 0.000 1.068 540 V HN -0.023 nan 8.190 nan 0.000 0.441 541 K N 1.651 122.191 120.400 0.234 0.000 2.183 541 K HA 0.652 4.972 4.320 0.001 0.000 0.274 541 K C -1.163 175.607 176.600 0.283 0.000 1.009 541 K CA -0.566 55.908 56.287 0.311 0.000 0.888 541 K CB 1.757 34.360 32.500 0.171 0.000 1.078 541 K HN 0.639 nan 8.250 nan 0.000 0.459 542 L N 2.740 124.166 121.223 0.339 0.000 2.282 542 L HA 0.232 4.572 4.340 0.001 0.000 0.288 542 L C -0.818 176.229 176.870 0.296 0.000 1.033 542 L CA 0.158 55.205 54.840 0.344 0.000 0.807 542 L CB 1.063 43.380 42.059 0.431 0.000 1.209 542 L HN 0.558 nan 8.230 nan 0.000 0.423 543 E N 5.504 125.845 120.200 0.236 0.000 2.149 543 E HA 0.262 4.613 4.350 0.001 0.000 0.255 543 E C -1.888 174.813 176.600 0.168 0.000 0.888 543 E CA -0.402 56.102 56.400 0.175 0.000 0.742 543 E CB 1.544 31.304 29.700 0.101 0.000 1.164 543 E HN 0.537 nan 8.360 nan 0.000 0.422 544 Y N 1.444 121.725 120.300 -0.031 0.000 2.470 544 Y HA 0.235 4.786 4.550 0.001 0.000 0.341 544 Y C -0.808 174.914 175.900 -0.297 0.000 1.021 544 Y CA -1.052 56.890 58.100 -0.264 0.000 1.025 544 Y CB 1.370 39.486 38.460 -0.574 0.000 1.266 544 Y HN 0.181 nan 8.280 nan 0.000 0.448 545 K N 6.144 126.033 120.400 -0.852 0.000 2.243 545 K HA 0.062 4.382 4.320 0.001 0.000 0.232 545 K C -1.215 175.097 176.600 -0.480 0.000 1.237 545 K CA -0.058 55.921 56.287 -0.513 0.000 1.161 545 K CB -0.136 32.130 32.500 -0.389 0.000 1.505 545 K HN 0.485 nan 8.250 nan 0.000 0.271 546 W N 1.464 122.726 121.300 -0.062 0.000 2.170 546 W HA -0.047 4.613 4.660 0.001 0.000 0.342 546 W C 1.166 177.718 176.519 0.054 0.000 1.294 546 W CA -0.303 57.123 57.345 0.135 0.000 1.246 546 W CB 0.417 30.008 29.460 0.217 0.000 1.156 546 W HN 0.302 nan 8.180 nan 0.000 0.572 547 S N 0.701 116.619 115.700 0.365 0.000 2.608 547 S HA 0.207 4.678 4.470 0.001 0.000 0.291 547 S C 0.478 175.208 174.600 0.217 0.000 1.146 547 S CA -0.769 57.555 58.200 0.207 0.000 1.043 547 S CB 1.704 64.988 63.200 0.140 0.000 1.037 547 S HN 0.502 nan 8.310 nan 0.000 0.520 548 D N 1.251 121.744 120.400 0.155 0.000 2.149 548 D HA -0.086 4.555 4.640 0.001 0.000 0.198 548 D C 1.801 178.145 176.300 0.074 0.000 0.990 548 D CA 1.518 55.604 54.000 0.143 0.000 0.839 548 D CB -0.235 40.676 40.800 0.186 0.000 0.948 548 D HN 0.593 nan 8.370 nan 0.000 0.460 549 Q N 0.213 120.037 119.800 0.041 0.000 2.167 549 Q HA -0.038 4.303 4.340 0.001 0.000 0.202 549 Q C 2.094 178.169 176.000 0.125 0.000 0.970 549 Q CA 0.846 56.677 55.803 0.045 0.000 0.855 549 Q CB -0.202 28.544 28.738 0.014 0.000 0.911 549 Q HN 0.434 nan 8.270 nan 0.000 0.438 550 Q N -0.274 119.627 119.800 0.168 0.000 2.084 550 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 550 Q C 1.972 178.090 176.000 0.197 0.000 0.978 550 Q CA 1.017 56.963 55.803 0.238 0.000 0.844 550 Q CB -0.098 28.912 28.738 0.453 0.000 0.898 550 Q HN 0.370 nan 8.270 nan 0.000 0.426 551 L N 0.164 121.431 121.223 0.072 0.000 2.056 551 L HA -0.158 4.183 4.340 0.001 0.000 0.207 551 L C 2.708 179.521 176.870 -0.094 0.000 1.078 551 L CA 1.599 56.360 54.840 -0.132 0.000 0.749 551 L CB -0.885 41.054 42.059 -0.200 0.000 0.901 551 L HN 0.390 nan 8.230 nan 0.000 0.433 552 T N -2.831 111.703 114.554 -0.032 0.000 2.915 552 T HA -0.213 4.138 4.350 0.001 0.000 0.269 552 T C 1.686 176.358 174.700 -0.047 0.000 1.071 552 T CA 0.762 62.816 62.100 -0.076 0.000 1.132 552 T CB -0.613 68.225 68.868 -0.051 0.000 0.878 552 T HN 0.254 nan 8.240 nan 0.000 0.479 553 F N 1.945 121.849 119.950 -0.077 0.000 2.113 553 F HA 0.158 4.686 4.527 0.001 0.000 0.297 553 F C 1.940 177.687 175.800 -0.089 0.000 1.103 553 F CA 1.007 58.995 58.000 -0.020 0.000 1.248 553 F CB -0.315 38.718 39.000 0.057 0.000 0.999 553 F HN 0.049 nan 8.300 nan 0.000 0.475 554 L N -0.298 120.959 121.223 0.057 0.000 2.093 554 L HA -0.238 4.102 4.340 0.001 0.000 0.208 554 L C 2.504 179.218 176.870 -0.260 0.000 1.085 554 L CA 1.313 56.076 54.840 -0.129 0.000 0.755 554 L CB -0.627 41.384 42.059 -0.079 0.000 0.904 554 L HN 0.242 nan 8.230 nan 0.000 0.435 555 M N -0.941 118.509 119.600 -0.250 0.000 2.279 555 M HA -0.221 4.260 4.480 0.001 0.000 0.264 555 M C 2.357 178.466 176.300 -0.319 0.000 1.062 555 M CA 1.613 56.751 55.300 -0.270 0.000 1.099 555 M CB -0.239 32.191 32.600 -0.283 0.000 1.394 555 M HN 0.179 nan 8.290 nan 0.000 0.426 556 R N -1.272 118.960 120.500 -0.446 0.000 2.206 556 R HA -0.013 4.327 4.340 0.001 0.000 0.198 556 R C 1.485 177.308 176.300 -0.795 0.000 0.986 556 R CA 0.681 56.408 56.100 -0.621 0.000 1.029 556 R CB 0.351 30.188 30.300 -0.771 0.000 0.966 556 R HN 0.406 nan 8.270 nan 0.000 0.487 557 H N -0.656 118.072 119.070 -0.569 0.000 2.885 557 H HA 0.311 4.868 4.556 0.001 0.000 0.260 557 H C 0.144 175.114 175.328 -0.596 0.000 0.985 557 H CA 0.351 56.024 56.048 -0.626 0.000 1.210 557 H CB 0.487 29.652 29.762 -0.996 0.000 1.466 557 H HN 0.151 nan 8.280 nan 0.000 0.493 558 A N 1.826 124.369 122.820 -0.461 0.000 2.567 558 A HA -0.046 4.275 4.320 0.001 0.000 0.240 558 A C 1.760 179.281 177.584 -0.105 0.000 1.053 558 A CA 0.168 51.988 52.037 -0.362 0.000 0.755 558 A CB 0.195 19.100 19.000 -0.159 0.000 0.978 558 A HN 0.430 nan 8.150 nan 0.000 0.507 559 R N 1.933 122.489 120.500 0.093 0.000 2.075 559 R HA -0.099 4.242 4.340 0.001 0.000 0.232 559 R C 0.717 177.070 176.300 0.088 0.000 1.126 559 R CA 1.289 57.464 56.100 0.125 0.000 0.963 559 R CB -0.004 30.423 30.300 0.213 0.000 0.858 559 R HN 0.860 nan 8.270 nan 0.000 0.435 560 N N 0.716 119.486 118.700 0.117 0.000 2.455 560 N HA -0.028 4.713 4.740 0.001 0.000 0.280 560 N C -0.512 175.063 175.510 0.108 0.000 1.055 560 N CA -0.109 53.010 53.050 0.114 0.000 0.961 560 N CB 1.486 40.064 38.487 0.152 0.000 1.121 560 N HN 0.056 nan 8.380 nan 0.000 0.476 561 D N 2.313 122.764 120.400 0.086 0.000 2.221 561 D HA -0.168 4.473 4.640 0.001 0.000 0.204 561 D C 1.334 177.701 176.300 0.112 0.000 0.982 561 D CA 0.860 54.899 54.000 0.066 0.000 0.857 561 D CB -0.133 40.691 40.800 0.039 0.000 0.934 561 D HN 0.603 nan 8.370 nan 0.000 0.475 562 F N 1.465 121.448 119.950 0.055 0.000 2.134 562 F HA -0.200 4.327 4.527 0.001 0.000 0.299 562 F C 2.322 178.229 175.800 0.179 0.000 1.097 562 F CA 1.166 59.233 58.000 0.111 0.000 1.264 562 F CB -0.106 38.942 39.000 0.079 0.000 1.001 562 F HN -0.173 nan 8.300 nan 0.000 0.479 563 S N 0.528 116.334 115.700 0.178 0.000 2.382 563 S HA -0.189 4.281 4.470 0.001 0.000 0.228 563 S C 1.923 176.468 174.600 -0.090 0.000 1.027 563 S CA 1.399 59.639 58.200 0.067 0.000 0.991 563 S CB -0.340 62.939 63.200 0.131 0.000 0.823 563 S HN 0.428 nan 8.310 nan 0.000 0.469 564 R N -0.421 120.037 120.500 -0.070 0.000 2.075 564 R HA -0.102 4.239 4.340 0.001 0.000 0.232 564 R C 2.141 178.362 176.300 -0.132 0.000 1.126 564 R CA 1.534 57.562 56.100 -0.120 0.000 0.963 564 R CB -0.350 29.895 30.300 -0.092 0.000 0.858 564 R HN 0.544 nan 8.270 nan 0.000 0.435 565 W N 2.402 123.530 121.300 -0.286 0.000 2.381 565 W HA -0.163 4.497 4.660 0.001 0.000 0.301 565 W C 1.667 177.970 176.519 -0.360 0.000 1.205 565 W CA 1.520 58.688 57.345 -0.295 0.000 1.285 565 W CB -0.312 28.953 29.460 -0.324 0.000 1.133 565 W HN -0.005 nan 8.180 nan 0.000 0.521 566 D N 0.140 120.248 120.400 -0.488 0.000 2.117 566 D HA -0.192 4.448 4.640 0.001 0.000 0.197 566 D C 2.272 178.251 176.300 -0.536 0.000 0.987 566 D CA 2.121 55.737 54.000 -0.640 0.000 0.829 566 D CB -0.609 39.947 40.800 -0.407 0.000 0.961 566 D HN 0.172 nan 8.370 nan 0.000 0.460 567 A N 0.487 123.047 122.820 -0.432 0.000 1.933 567 A HA -0.007 4.314 4.320 0.001 0.000 0.218 567 A C 2.350 179.682 177.584 -0.420 0.000 1.175 567 A CA 2.235 54.000 52.037 -0.454 0.000 0.628 567 A CB -0.865 17.911 19.000 -0.373 0.000 0.814 567 A HN 0.282 nan 8.150 nan 0.000 0.444 568 A N -1.147 121.421 122.820 -0.420 0.000 1.972 568 A HA -0.155 4.166 4.320 0.001 0.000 0.219 568 A C 2.092 179.481 177.584 -0.325 0.000 1.169 568 A CA 1.619 53.443 52.037 -0.355 0.000 0.635 568 A CB -0.391 18.414 19.000 -0.325 0.000 0.810 568 A HN 0.489 nan 8.150 nan 0.000 0.446 569 Q N 0.086 119.552 119.800 -0.558 0.000 2.079 569 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 569 Q C 2.374 178.204 176.000 -0.284 0.000 0.974 569 Q CA 1.727 57.230 55.803 -0.500 0.000 0.840 569 Q CB -0.766 27.487 28.738 -0.808 0.000 0.898 569 Q HN 0.623 nan 8.270 nan 0.000 0.430 570 S N 1.229 116.750 115.700 -0.298 0.000 2.383 570 S HA -0.105 4.366 4.470 0.001 0.000 0.227 570 S C 1.904 176.431 174.600 -0.120 0.000 1.026 570 S CA 0.743 58.822 58.200 -0.201 0.000 0.981 570 S CB -0.231 62.757 63.200 -0.352 0.000 0.818 570 S HN 0.231 nan 8.310 nan 0.000 0.472 571 L N 1.796 122.947 121.223 -0.120 0.000 2.017 571 L HA 0.025 4.366 4.340 0.001 0.000 0.208 571 L C 1.942 178.904 176.870 0.153 0.000 1.073 571 L CA 1.621 56.480 54.840 0.032 0.000 0.745 571 L CB -0.557 41.505 42.059 0.006 0.000 0.894 571 L HN 0.270 nan 8.230 nan 0.000 0.432 572 L N -0.799 120.489 121.223 0.108 0.000 2.093 572 L HA -0.156 4.185 4.340 0.001 0.000 0.208 572 L C 2.687 179.601 176.870 0.073 0.000 1.085 572 L CA 1.013 55.945 54.840 0.153 0.000 0.755 572 L CB -0.932 41.186 42.059 0.098 0.000 0.904 572 L HN 0.378 nan 8.230 nan 0.000 0.435 573 A N -0.101 122.709 122.820 -0.016 0.000 1.892 573 A HA -0.260 4.061 4.320 0.001 0.000 0.218 573 A C 2.366 179.891 177.584 -0.099 0.000 1.188 573 A CA 2.588 54.587 52.037 -0.064 0.000 0.631 573 A CB -1.056 17.897 19.000 -0.079 0.000 0.822 573 A HN 0.399 nan 8.150 nan 0.000 0.447 574 T N -1.209 113.255 114.554 -0.151 0.000 2.684 574 T HA -0.194 4.156 4.350 0.001 0.000 0.267 574 T C 1.621 176.041 174.700 -0.466 0.000 1.036 574 T CA 2.028 63.921 62.100 -0.345 0.000 1.148 574 T CB -0.466 68.080 68.868 -0.536 0.000 0.863 574 T HN 0.643 nan 8.240 nan 0.000 0.436 575 Y N 0.050 120.373 120.300 0.038 0.000 2.519 575 Y HA 0.297 4.848 4.550 0.001 0.000 0.287 575 Y C 2.070 178.002 175.900 0.054 0.000 1.128 575 Y CA -0.067 58.059 58.100 0.043 0.000 1.282 575 Y CB -0.335 38.145 38.460 0.033 0.000 1.027 575 Y HN 0.182 nan 8.280 nan 0.000 0.551 576 I N 0.017 120.662 120.570 0.124 0.000 2.286 576 I HA -0.256 3.915 4.170 0.001 0.000 0.245 576 I C 2.079 178.322 176.117 0.211 0.000 1.104 576 I CA 1.365 62.752 61.300 0.144 0.000 1.397 576 I CB -0.211 37.855 38.000 0.111 0.000 1.072 576 I HN 0.117 nan 8.210 nan 0.000 0.417 577 K N 0.383 120.853 120.400 0.116 0.000 2.057 577 K HA -0.201 4.119 4.320 0.001 0.000 0.207 577 K C 2.091 178.799 176.600 0.179 0.000 1.049 577 K CA 1.262 57.658 56.287 0.181 0.000 0.931 577 K CB -0.313 32.156 32.500 -0.052 0.000 0.714 577 K HN 0.117 nan 8.250 nan 0.000 0.440 578 L N 1.894 123.167 121.223 0.082 0.000 2.012 578 L HA -0.219 4.121 4.340 0.001 0.000 0.210 578 L C 1.219 178.163 176.870 0.124 0.000 1.073 578 L CA 1.954 56.848 54.840 0.090 0.000 0.748 578 L CB -0.529 41.585 42.059 0.092 0.000 0.891 578 L HN 0.136 nan 8.230 nan 0.000 0.431 579 N N -1.679 117.106 118.700 0.142 0.000 2.409 579 N HA -0.087 4.653 4.740 0.001 0.000 0.179 579 N C 1.678 177.261 175.510 0.121 0.000 1.032 579 N CA 0.910 54.036 53.050 0.126 0.000 0.898 579 N CB 0.060 38.617 38.487 0.116 0.000 0.971 579 N HN 0.200 nan 8.380 nan 0.000 0.441 580 V N 0.771 120.758 119.914 0.123 0.000 2.453 580 V HA -0.126 3.995 4.120 0.001 0.000 0.247 580 V C 2.243 178.369 176.094 0.053 0.000 1.048 580 V CA 1.721 64.038 62.300 0.029 0.000 1.049 580 V CB -0.675 31.080 31.823 -0.112 0.000 0.672 580 V HN 0.342 nan 8.190 nan 0.000 0.457 581 A N -0.031 122.845 122.820 0.093 0.000 1.902 581 A HA -0.218 4.103 4.320 0.001 0.000 0.217 581 A C 2.348 179.975 177.584 0.073 0.000 1.181 581 A CA 1.729 53.812 52.037 0.077 0.000 0.623 581 A CB -0.456 18.598 19.000 0.089 0.000 0.818 581 A HN 0.501 nan 8.150 nan 0.000 0.443 582 R N -1.561 118.989 120.500 0.083 0.000 2.081 582 R HA -0.131 4.210 4.340 0.001 0.000 0.235 582 R C 2.325 178.662 176.300 0.060 0.000 1.131 582 R CA 1.280 57.419 56.100 0.064 0.000 0.960 582 R CB -0.544 29.796 30.300 0.067 0.000 0.856 582 R HN 0.755 nan 8.270 nan 0.000 0.436 583 H N 1.517 120.586 119.070 -0.001 0.000 2.352 583 H HA -0.124 4.433 4.556 0.001 0.000 0.299 583 H C 1.513 176.830 175.328 -0.019 0.000 1.097 583 H CA 1.758 57.797 56.048 -0.014 0.000 1.311 583 H CB 0.235 29.981 29.762 -0.027 0.000 1.377 583 H HN 0.305 nan 8.280 nan 0.000 0.504 584 Q N -0.085 119.798 119.800 0.138 0.000 2.364 584 Q HA -0.105 4.236 4.340 0.001 0.000 0.207 584 Q C 1.641 177.642 176.000 0.002 0.000 0.970 584 Q CA 0.928 56.777 55.803 0.077 0.000 0.888 584 Q CB 0.142 28.914 28.738 0.057 0.000 0.951 584 Q HN 0.629 nan 8.270 nan 0.000 0.469 585 Q N -0.912 118.882 119.800 -0.010 0.000 2.282 585 Q HA 0.158 4.498 4.340 0.001 0.000 0.206 585 Q C 0.571 176.541 176.000 -0.050 0.000 0.878 585 Q CA 0.292 56.083 55.803 -0.019 0.000 0.944 585 Q CB 1.020 29.758 28.738 0.001 0.000 1.100 585 Q HN 0.460 nan 8.270 nan 0.000 0.509 586 G N 1.349 110.085 108.800 -0.105 0.000 2.147 586 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 586 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 586 G C -0.219 174.623 174.900 -0.097 0.000 1.005 586 G CA 0.023 45.042 45.100 -0.135 0.000 0.713 586 G HN 0.332 nan 8.290 nan 0.000 0.515 587 Q N 0.427 120.186 119.800 -0.069 0.000 2.235 587 Q HA 0.571 4.912 4.340 0.001 0.000 0.256 587 Q C -2.080 173.907 176.000 -0.022 0.000 0.951 587 Q CA -1.946 53.837 55.803 -0.032 0.000 0.890 587 Q CB 2.226 30.961 28.738 -0.005 0.000 1.279 587 Q HN 0.311 nan 8.270 nan 0.000 0.444 588 P HA 0.065 nan 4.420 nan 0.000 0.276 588 P C -0.658 176.653 177.300 0.019 0.000 1.261 588 P CA -0.604 62.497 63.100 0.002 0.000 0.800 588 P CB 0.739 32.436 31.700 -0.005 0.000 1.066 589 L N 0.761 121.997 121.223 0.021 0.000 2.525 589 L HA 0.143 4.484 4.340 0.001 0.000 0.278 589 L C 0.410 177.289 176.870 0.014 0.000 1.218 589 L CA 1.124 55.978 54.840 0.024 0.000 0.878 589 L CB 0.130 42.193 42.059 0.007 0.000 1.127 589 L HN 0.418 nan 8.230 nan 0.000 0.492 590 S N 4.945 120.662 115.700 0.029 0.000 2.594 590 S HA 0.751 5.222 4.470 0.001 0.000 0.296 590 S C -1.337 173.260 174.600 -0.004 0.000 1.124 590 S CA -0.682 57.528 58.200 0.015 0.000 1.011 590 S CB 0.978 64.204 63.200 0.043 0.000 1.016 590 S HN 0.601 nan 8.310 nan 0.000 0.485 591 L N 6.440 127.610 121.223 -0.088 0.000 2.505 591 L HA 0.678 5.019 4.340 0.001 0.000 0.266 591 L C -2.410 174.280 176.870 -0.301 0.000 0.954 591 L CA -1.265 53.432 54.840 -0.238 0.000 0.852 591 L CB 2.052 43.982 42.059 -0.214 0.000 1.282 591 L HN 0.527 nan 8.230 nan 0.000 0.403 592 P HA 0.111 nan 4.420 nan 0.000 0.271 592 P C 0.910 177.917 177.300 -0.488 0.000 1.218 592 P CA -0.312 62.504 63.100 -0.473 0.000 0.780 592 P CB 1.245 32.541 31.700 -0.674 0.000 0.901 593 V N 2.347 122.078 119.914 -0.304 0.000 2.282 593 V HA -0.296 3.825 4.120 0.001 0.000 0.249 593 V C 2.429 178.418 176.094 -0.176 0.000 1.057 593 V CA 2.617 64.807 62.300 -0.183 0.000 1.032 593 V CB -2.056 29.724 31.823 -0.072 0.000 0.645 593 V HN 0.784 nan 8.190 nan 0.000 0.447 594 H N -0.793 118.243 119.070 -0.057 0.000 2.541 594 H HA -0.052 4.505 4.556 0.001 0.000 0.289 594 H C 1.752 177.039 175.328 -0.068 0.000 1.054 594 H CA 1.482 57.500 56.048 -0.049 0.000 1.250 594 H CB -0.919 28.827 29.762 -0.026 0.000 1.369 594 H HN 0.265 nan 8.280 nan 0.000 0.578 595 V N 0.716 120.464 119.914 -0.276 0.000 2.379 595 V HA -0.075 4.045 4.120 0.001 0.000 0.243 595 V C 2.746 178.850 176.094 0.015 0.000 1.035 595 V CA 1.390 63.613 62.300 -0.129 0.000 1.035 595 V CB -0.964 30.661 31.823 -0.330 0.000 0.673 595 V HN 0.726 nan 8.190 nan 0.000 0.457 596 A N -0.151 122.649 122.820 -0.035 0.000 1.972 596 A HA -0.228 4.093 4.320 0.001 0.000 0.219 596 A C 1.928 179.535 177.584 0.039 0.000 1.169 596 A CA 1.818 53.875 52.037 0.033 0.000 0.635 596 A CB -0.532 18.437 19.000 -0.052 0.000 0.810 596 A HN 0.548 nan 8.150 nan 0.000 0.446 597 D N 0.321 120.717 120.400 -0.006 0.000 2.144 597 D HA -0.078 4.562 4.640 0.001 0.000 0.199 597 D C 2.215 178.487 176.300 -0.047 0.000 0.984 597 D CA 1.409 55.400 54.000 -0.014 0.000 0.834 597 D CB -0.377 40.424 40.800 0.001 0.000 0.955 597 D HN 0.447 nan 8.370 nan 0.000 0.465 598 A N 0.435 123.198 122.820 -0.094 0.000 1.902 598 A HA -0.162 4.158 4.320 0.001 0.000 0.217 598 A C 1.971 179.352 177.584 -0.339 0.000 1.181 598 A CA 1.058 52.944 52.037 -0.253 0.000 0.623 598 A CB -0.912 17.857 19.000 -0.385 0.000 0.818 598 A HN 0.142 nan 8.150 nan 0.000 0.443 599 F N -0.666 119.230 119.950 -0.091 0.000 2.367 599 F HA 0.048 4.576 4.527 0.001 0.000 0.298 599 F C 2.364 178.101 175.800 -0.105 0.000 1.094 599 F CA 1.218 59.156 58.000 -0.104 0.000 1.409 599 F CB -0.208 38.708 39.000 -0.140 0.000 1.064 599 F HN 0.156 nan 8.300 nan 0.000 0.528 600 R N 0.578 121.106 120.500 0.046 0.000 2.092 600 R HA -0.108 4.232 4.340 0.001 0.000 0.231 600 R C 2.323 178.609 176.300 -0.023 0.000 1.119 600 R CA 1.179 57.279 56.100 -0.001 0.000 0.970 600 R CB -0.390 29.901 30.300 -0.015 0.000 0.864 600 R HN 0.247 nan 8.270 nan 0.000 0.440 601 A N 0.293 123.082 122.820 -0.053 0.000 1.933 601 A HA -0.094 4.227 4.320 0.001 0.000 0.218 601 A C 2.221 179.761 177.584 -0.074 0.000 1.175 601 A CA 1.441 53.433 52.037 -0.074 0.000 0.628 601 A CB -0.454 18.480 19.000 -0.110 0.000 0.814 601 A HN 0.217 nan 8.150 nan 0.000 0.444 602 V N 0.018 119.887 119.914 -0.075 0.000 2.343 602 V HA -0.255 3.866 4.120 0.001 0.000 0.247 602 V C 2.550 178.638 176.094 -0.009 0.000 1.051 602 V CA 1.928 64.197 62.300 -0.050 0.000 1.036 602 V CB -0.732 31.076 31.823 -0.025 0.000 0.654 602 V HN 0.571 nan 8.190 nan 0.000 0.451 603 L N -0.742 120.486 121.223 0.009 0.000 2.046 603 L HA -0.143 4.198 4.340 0.001 0.000 0.208 603 L C 2.108 178.981 176.870 0.004 0.000 1.077 603 L CA 1.497 56.347 54.840 0.018 0.000 0.747 603 L CB -0.307 41.761 42.059 0.015 0.000 0.896 603 L HN 0.308 nan 8.230 nan 0.000 0.432 604 L N -1.264 119.953 121.223 -0.011 0.000 2.591 604 L HA 0.051 4.391 4.340 0.001 0.000 0.228 604 L C 0.522 177.378 176.870 -0.024 0.000 1.133 604 L CA -0.238 54.593 54.840 -0.015 0.000 0.880 604 L CB -0.260 41.788 42.059 -0.018 0.000 1.033 604 L HN 0.123 nan 8.230 nan 0.000 0.450 605 D N 2.008 122.388 120.400 -0.034 0.000 2.346 605 D HA -0.048 4.593 4.640 0.001 0.000 0.260 605 D C 1.082 177.363 176.300 -0.032 0.000 1.252 605 D CA 0.076 54.049 54.000 -0.045 0.000 0.895 605 D CB 1.117 41.879 40.800 -0.064 0.000 1.097 605 D HN 0.241 nan 8.370 nan 0.000 0.489 606 E N 3.418 123.600 120.200 -0.029 0.000 2.502 606 E HA -0.071 4.280 4.350 0.001 0.000 0.194 606 E C 0.420 177.005 176.600 -0.024 0.000 1.062 606 E CA 0.400 56.787 56.400 -0.022 0.000 0.867 606 E CB 0.061 29.750 29.700 -0.018 0.000 0.888 606 E HN 0.484 nan 8.360 nan 0.000 0.510 607 K N 0.341 120.721 120.400 -0.033 0.000 2.367 607 K HA 0.301 4.622 4.320 0.001 0.000 0.195 607 K C 1.043 177.622 176.600 -0.035 0.000 1.060 607 K CA -0.282 55.985 56.287 -0.034 0.000 1.022 607 K CB 0.886 33.361 32.500 -0.040 0.000 0.894 607 K HN 0.072 nan 8.250 nan 0.000 0.540 608 I N 2.608 123.155 120.570 -0.039 0.000 2.692 608 I HA -0.048 4.123 4.170 0.001 0.000 0.284 608 I C -0.122 175.982 176.117 -0.023 0.000 1.159 608 I CA -0.167 61.111 61.300 -0.037 0.000 1.423 608 I CB 0.586 38.561 38.000 -0.042 0.000 1.380 608 I HN 0.063 nan 8.210 nan 0.000 0.580 609 D N 9.183 129.571 120.400 -0.020 0.000 2.417 609 D HA 0.082 4.722 4.640 0.001 0.000 0.250 609 D C -1.782 174.514 176.300 -0.007 0.000 1.166 609 D CA -1.859 52.133 54.000 -0.015 0.000 0.881 609 D CB 1.524 42.315 40.800 -0.016 0.000 1.164 609 D HN 0.288 nan 8.370 nan 0.000 0.467 610 P HA -0.138 nan 4.420 nan 0.000 0.217 610 P C 0.895 178.200 177.300 0.007 0.000 1.148 610 P CA 1.692 64.794 63.100 0.003 0.000 0.828 610 P CB 0.159 31.857 31.700 -0.004 0.000 0.783 611 A N -0.660 122.158 122.820 -0.004 0.000 1.902 611 A HA -0.194 4.127 4.320 0.001 0.000 0.217 611 A C 2.110 179.689 177.584 -0.008 0.000 1.181 611 A CA 1.613 53.645 52.037 -0.010 0.000 0.623 611 A CB -1.588 17.399 19.000 -0.022 0.000 0.818 611 A HN 0.190 nan 8.150 nan 0.000 0.443 612 L N -0.421 120.801 121.223 -0.002 0.000 2.044 612 L HA 0.075 4.416 4.340 0.001 0.000 0.205 612 L C 2.636 179.538 176.870 0.053 0.000 1.075 612 L CA 2.126 56.974 54.840 0.013 0.000 0.747 612 L CB -0.930 41.135 42.059 0.010 0.000 0.903 612 L HN 0.318 nan 8.230 nan 0.000 0.435 613 A N -0.067 122.780 122.820 0.046 0.000 1.917 613 A HA -0.189 4.131 4.320 0.001 0.000 0.219 613 A C 2.481 180.130 177.584 0.110 0.000 1.182 613 A CA 2.158 54.238 52.037 0.071 0.000 0.633 613 A CB -1.325 17.705 19.000 0.050 0.000 0.819 613 A HN 0.616 nan 8.150 nan 0.000 0.448 614 A N -0.549 122.322 122.820 0.085 0.000 1.908 614 A HA -0.169 4.151 4.320 0.001 0.000 0.218 614 A C 1.934 179.589 177.584 0.118 0.000 1.181 614 A CA 1.837 53.932 52.037 0.096 0.000 0.627 614 A CB -0.399 18.636 19.000 0.057 0.000 0.818 614 A HN 0.482 nan 8.150 nan 0.000 0.445 615 E N -0.093 120.166 120.200 0.100 0.000 2.107 615 E HA -0.057 4.294 4.350 0.001 0.000 0.191 615 E C 1.958 178.771 176.600 0.355 0.000 0.982 615 E CA 0.779 57.255 56.400 0.126 0.000 0.809 615 E CB -0.426 29.219 29.700 -0.091 0.000 0.756 615 E HN 0.735 nan 8.360 nan 0.000 0.459 616 I N 0.719 121.506 120.570 0.362 0.000 2.361 616 I HA -0.213 3.957 4.170 0.001 0.000 0.251 616 I C 1.936 178.275 176.117 0.370 0.000 1.133 616 I CA 0.825 62.351 61.300 0.377 0.000 1.413 616 I CB -0.111 38.031 38.000 0.236 0.000 1.073 616 I HN 0.005 nan 8.210 nan 0.000 0.424 617 L N 0.101 121.508 121.223 0.307 0.000 2.627 617 L HA 0.044 4.385 4.340 0.001 0.000 0.233 617 L C 0.242 177.290 176.870 0.297 0.000 1.144 617 L CA 0.243 55.277 54.840 0.324 0.000 0.892 617 L CB -0.383 41.866 42.059 0.317 0.000 1.039 617 L HN 0.068 nan 8.230 nan 0.000 0.442 618 T N 1.561 116.247 114.554 0.220 0.000 2.801 618 T HA 0.393 4.744 4.350 0.001 0.000 0.306 618 T C 0.230 175.008 174.700 0.130 0.000 1.020 618 T CA -0.407 61.770 62.100 0.129 0.000 0.948 618 T CB 0.771 69.709 68.868 0.117 0.000 0.962 618 T HN -0.000 nan 8.240 nan 0.000 0.465 619 L N 5.662 126.916 121.223 0.052 0.000 2.461 619 L HA 0.257 4.598 4.340 0.001 0.000 0.272 619 L C -1.435 175.463 176.870 0.046 0.000 1.197 619 L CA -1.829 53.031 54.840 0.034 0.000 0.836 619 L CB -0.058 41.989 42.059 -0.020 0.000 1.105 619 L HN 0.326 nan 8.230 nan 0.000 0.477 620 P HA 0.011 nan 4.420 nan 0.000 0.266 620 P C -0.395 176.928 177.300 0.038 0.000 1.195 620 P CA -0.317 62.818 63.100 0.058 0.000 0.768 620 P CB 0.693 32.414 31.700 0.034 0.000 0.838 621 S N 1.084 116.809 115.700 0.041 0.000 2.596 621 S HA 0.041 4.512 4.470 0.001 0.000 0.260 621 S C 1.612 176.234 174.600 0.036 0.000 1.336 621 S CA -0.093 58.124 58.200 0.028 0.000 0.993 621 S CB 0.009 63.225 63.200 0.027 0.000 0.923 621 S HN 0.410 nan 8.310 nan 0.000 0.567 622 V N -0.599 119.333 119.914 0.030 0.000 2.594 622 V HA -0.130 3.990 4.120 0.001 0.000 0.253 622 V C 1.941 178.077 176.094 0.069 0.000 1.069 622 V CA 1.772 64.098 62.300 0.044 0.000 1.082 622 V CB -1.264 30.577 31.823 0.030 0.000 0.680 622 V HN 0.798 nan 8.190 nan 0.000 0.469 623 N N 0.748 119.485 118.700 0.062 0.000 2.270 623 N HA -0.085 4.656 4.740 0.001 0.000 0.181 623 N C 1.892 177.448 175.510 0.076 0.000 1.016 623 N CA 1.668 54.764 53.050 0.076 0.000 0.870 623 N CB -0.137 38.387 38.487 0.061 0.000 0.979 623 N HN 0.690 nan 8.380 nan 0.000 0.431 624 E N 0.579 120.814 120.200 0.059 0.000 2.072 624 E HA -0.050 4.300 4.350 0.001 0.000 0.191 624 E C 1.936 178.576 176.600 0.066 0.000 0.985 624 E CA 0.827 57.257 56.400 0.050 0.000 0.801 624 E CB -0.050 29.675 29.700 0.043 0.000 0.750 624 E HN 0.326 nan 8.360 nan 0.000 0.452 625 M N 0.485 120.138 119.600 0.088 0.000 2.159 625 M HA -0.125 4.356 4.480 0.001 0.000 0.263 625 M C 2.506 178.953 176.300 0.245 0.000 1.063 625 M CA 1.261 56.645 55.300 0.141 0.000 1.110 625 M CB -0.245 32.452 32.600 0.162 0.000 1.374 625 M HN 0.110 nan 8.290 nan 0.000 0.411 626 A N 0.134 123.081 122.820 0.212 0.000 1.978 626 A HA -0.150 4.171 4.320 0.001 0.000 0.220 626 A C 1.881 179.600 177.584 0.225 0.000 1.170 626 A CA 1.451 53.635 52.037 0.245 0.000 0.636 626 A CB -0.486 18.597 19.000 0.138 0.000 0.810 626 A HN 0.378 nan 8.150 nan 0.000 0.448 627 E N -0.222 120.062 120.200 0.140 0.000 2.516 627 E HA 0.016 4.366 4.350 0.001 0.000 0.199 627 E C 1.387 178.009 176.600 0.037 0.000 1.069 627 E CA 0.319 56.789 56.400 0.116 0.000 0.876 627 E CB -0.185 29.606 29.700 0.151 0.000 0.843 627 E HN 0.709 nan 8.360 nan 0.000 0.530 628 L N -0.580 120.581 121.223 -0.103 0.000 2.558 628 L HA 0.124 4.464 4.340 0.001 0.000 0.225 628 L C 0.121 176.609 176.870 -0.637 0.000 1.128 628 L CA 0.154 54.749 54.840 -0.408 0.000 0.868 628 L CB 0.067 41.727 42.059 -0.666 0.000 1.006 628 L HN -0.070 nan 8.230 nan 0.000 0.454 629 F N -1.246 118.707 119.950 0.005 0.000 2.546 629 F HA 0.284 4.812 4.527 0.001 0.000 0.320 629 F C 1.087 176.867 175.800 -0.034 0.000 1.076 629 F CA -0.968 57.021 58.000 -0.019 0.000 0.928 629 F CB 1.031 40.006 39.000 -0.041 0.000 1.189 629 F HN -0.213 nan 8.300 nan 0.000 0.465 630 D N 0.881 121.372 120.400 0.152 0.000 2.091 630 D HA 0.008 4.648 4.640 0.001 0.000 0.199 630 D C 0.574 176.884 176.300 0.016 0.000 0.980 630 D CA 1.646 55.684 54.000 0.062 0.000 0.831 630 D CB 0.376 41.204 40.800 0.047 0.000 0.987 630 D HN 0.039 nan 8.370 nan 0.000 0.460 631 I N 2.020 122.599 120.570 0.014 0.000 2.339 631 I HA 0.252 4.423 4.170 0.001 0.000 0.290 631 I C 0.297 176.327 176.117 -0.144 0.000 0.994 631 I CA -0.689 60.559 61.300 -0.085 0.000 1.191 631 I CB 1.311 39.279 38.000 -0.053 0.000 1.343 631 I HN -0.166 nan 8.210 nan 0.000 0.458 632 I N 5.448 125.820 120.570 -0.330 0.000 2.416 632 I HA 0.096 4.266 4.170 0.001 0.000 0.288 632 I C 0.324 176.277 176.117 -0.273 0.000 1.051 632 I CA 0.003 61.084 61.300 -0.364 0.000 1.375 632 I CB 0.656 38.316 38.000 -0.568 0.000 1.407 632 I HN 0.444 nan 8.210 nan 0.000 0.516 633 D N 9.535 129.776 120.400 -0.265 0.000 2.477 633 D HA 0.219 4.859 4.640 0.001 0.000 0.239 633 D C -1.531 174.679 176.300 -0.149 0.000 1.102 633 D CA -2.342 51.556 54.000 -0.170 0.000 0.901 633 D CB 1.431 42.098 40.800 -0.222 0.000 1.026 633 D HN 0.223 nan 8.370 nan 0.000 0.515 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.744 179.018 177.300 -0.045 0.000 1.149 634 P CA 0.645 63.757 63.100 0.019 0.000 0.817 634 P CB 0.727 32.517 31.700 0.150 0.000 0.785 635 I N 0.016 120.548 120.570 -0.064 0.000 2.286 635 I HA -0.156 4.015 4.170 0.001 0.000 0.245 635 I C 2.682 178.633 176.117 -0.277 0.000 1.104 635 I CA 1.232 62.474 61.300 -0.097 0.000 1.397 635 I CB -0.837 37.146 38.000 -0.029 0.000 1.072 635 I HN -0.095 nan 8.210 nan 0.000 0.417 636 A N 1.222 123.796 122.820 -0.411 0.000 1.902 636 A HA -0.178 4.142 4.320 0.001 0.000 0.217 636 A C 2.303 179.592 177.584 -0.491 0.000 1.181 636 A CA 1.498 53.040 52.037 -0.824 0.000 0.623 636 A CB -0.817 17.882 19.000 -0.501 0.000 0.818 636 A HN 0.362 nan 8.150 nan 0.000 0.443 637 I N -0.351 120.040 120.570 -0.299 0.000 2.179 637 I HA -0.296 3.874 4.170 0.001 0.000 0.242 637 I C 2.992 179.040 176.117 -0.115 0.000 1.088 637 I CA 1.125 62.326 61.300 -0.165 0.000 1.357 637 I CB -0.350 37.593 38.000 -0.095 0.000 1.051 637 I HN 0.372 nan 8.210 nan 0.000 0.409 638 A N 0.467 123.220 122.820 -0.112 0.000 1.902 638 A HA -0.206 4.114 4.320 0.001 0.000 0.217 638 A C 2.204 179.737 177.584 -0.086 0.000 1.181 638 A CA 1.609 53.601 52.037 -0.075 0.000 0.623 638 A CB -0.542 18.427 19.000 -0.052 0.000 0.818 638 A HN 0.464 nan 8.150 nan 0.000 0.443 639 E N -0.324 119.799 120.200 -0.127 0.000 2.107 639 E HA -0.086 4.264 4.350 0.001 0.000 0.191 639 E C 1.951 178.516 176.600 -0.059 0.000 0.982 639 E CA 1.148 57.505 56.400 -0.072 0.000 0.809 639 E CB -0.266 29.424 29.700 -0.017 0.000 0.756 639 E HN 0.407 nan 8.360 nan 0.000 0.459 640 V N 1.443 121.300 119.914 -0.095 0.000 2.427 640 V HA -0.218 3.903 4.120 0.001 0.000 0.248 640 V C 2.463 178.528 176.094 -0.048 0.000 1.051 640 V CA 1.641 63.918 62.300 -0.039 0.000 1.048 640 V CB -0.467 31.340 31.823 -0.027 0.000 0.666 640 V HN 0.176 nan 8.190 nan 0.000 0.456 641 R N 0.067 120.530 120.500 -0.062 0.000 2.081 641 R HA -0.217 4.123 4.340 0.001 0.000 0.235 641 R C 2.368 178.587 176.300 -0.136 0.000 1.131 641 R CA 2.057 58.114 56.100 -0.071 0.000 0.960 641 R CB -0.196 30.070 30.300 -0.057 0.000 0.856 641 R HN 0.663 nan 8.270 nan 0.000 0.436 642 E N -0.361 119.745 120.200 -0.156 0.000 2.072 642 E HA -0.160 4.191 4.350 0.001 0.000 0.191 642 E C 1.756 178.169 176.600 -0.311 0.000 0.985 642 E CA 1.025 57.252 56.400 -0.289 0.000 0.801 642 E CB -0.074 29.509 29.700 -0.195 0.000 0.750 642 E HN 0.460 nan 8.360 nan 0.000 0.452 643 A N 1.094 123.819 122.820 -0.159 0.000 1.902 643 A HA -0.166 4.154 4.320 0.001 0.000 0.217 643 A C 2.120 179.636 177.584 -0.115 0.000 1.181 643 A CA 1.236 53.205 52.037 -0.113 0.000 0.623 643 A CB -0.613 18.365 19.000 -0.036 0.000 0.818 643 A HN 0.386 nan 8.150 nan 0.000 0.443 644 L N -0.222 120.942 121.223 -0.098 0.000 2.056 644 L HA -0.090 4.251 4.340 0.001 0.000 0.207 644 L C 2.417 179.243 176.870 -0.075 0.000 1.078 644 L CA 2.750 57.544 54.840 -0.076 0.000 0.749 644 L CB -1.073 40.955 42.059 -0.052 0.000 0.901 644 L HN 0.365 nan 8.230 nan 0.000 0.433 645 T N -0.479 113.998 114.554 -0.129 0.000 2.746 645 T HA -0.171 4.180 4.350 0.001 0.000 0.267 645 T C 2.010 176.665 174.700 -0.075 0.000 1.039 645 T CA 1.632 63.687 62.100 -0.075 0.000 1.142 645 T CB -0.185 68.435 68.868 -0.412 0.000 0.866 645 T HN 0.346 nan 8.240 nan 0.000 0.444 646 R N 0.479 120.814 120.500 -0.275 0.000 2.081 646 R HA -0.050 4.291 4.340 0.001 0.000 0.235 646 R C 2.783 179.059 176.300 -0.039 0.000 1.131 646 R CA 1.591 57.606 56.100 -0.141 0.000 0.960 646 R CB -0.626 29.582 30.300 -0.152 0.000 0.856 646 R HN 0.295 nan 8.270 nan 0.000 0.436 647 T N 1.493 116.009 114.554 -0.064 0.000 2.746 647 T HA -0.067 4.284 4.350 0.001 0.000 0.267 647 T C 1.845 176.496 174.700 -0.082 0.000 1.039 647 T CA 1.008 63.072 62.100 -0.061 0.000 1.142 647 T CB -0.099 68.727 68.868 -0.070 0.000 0.866 647 T HN 0.121 nan 8.240 nan 0.000 0.444 648 L N 0.680 121.833 121.223 -0.116 0.000 2.141 648 L HA -0.027 4.313 4.340 0.001 0.000 0.209 648 L C 3.011 179.747 176.870 -0.224 0.000 1.094 648 L CA 0.970 55.664 54.840 -0.243 0.000 0.763 648 L CB -0.630 41.154 42.059 -0.457 0.000 0.908 648 L HN 0.237 nan 8.230 nan 0.000 0.437 649 A N -0.330 122.462 122.820 -0.047 0.000 1.902 649 A HA -0.187 4.133 4.320 0.001 0.000 0.217 649 A C 2.364 179.953 177.584 0.008 0.000 1.181 649 A CA 2.329 54.398 52.037 0.053 0.000 0.623 649 A CB -0.786 18.348 19.000 0.223 0.000 0.818 649 A HN 0.372 nan 8.150 nan 0.000 0.443 650 T N -0.144 114.409 114.554 -0.002 0.000 2.770 650 T HA -0.073 4.278 4.350 0.001 0.000 0.263 650 T C 1.759 176.441 174.700 -0.030 0.000 1.039 650 T CA 1.328 63.424 62.100 -0.006 0.000 1.142 650 T CB -0.205 68.661 68.868 -0.004 0.000 0.868 650 T HN 0.454 nan 8.240 nan 0.000 0.435 651 E N 1.143 121.310 120.200 -0.055 0.000 2.204 651 E HA 0.040 4.391 4.350 0.001 0.000 0.194 651 E C 1.469 178.030 176.600 -0.065 0.000 0.989 651 E CA 0.721 57.085 56.400 -0.060 0.000 0.824 651 E CB -0.083 29.572 29.700 -0.074 0.000 0.756 651 E HN 0.484 nan 8.360 nan 0.000 0.477 652 L N -0.373 120.796 121.223 -0.089 0.000 3.014 652 L HA 0.347 4.688 4.340 0.001 0.000 0.263 652 L C 1.836 178.672 176.870 -0.057 0.000 1.207 652 L CA -0.127 54.660 54.840 -0.088 0.000 1.017 652 L CB 0.172 42.136 42.059 -0.158 0.000 1.360 652 L HN -0.090 nan 8.230 nan 0.000 0.560 653 A N 0.855 123.654 122.820 -0.034 0.000 1.896 653 A HA -0.275 4.045 4.320 0.001 0.000 0.220 653 A C 1.884 179.467 177.584 -0.002 0.000 1.206 653 A CA 2.464 54.496 52.037 -0.009 0.000 0.647 653 A CB -0.325 18.675 19.000 -0.001 0.000 0.828 653 A HN 0.405 nan 8.150 nan 0.000 0.455 654 D N -0.685 119.713 120.400 -0.003 0.000 2.097 654 D HA -0.087 4.553 4.640 0.001 0.000 0.197 654 D C 1.957 178.265 176.300 0.013 0.000 0.984 654 D CA 1.605 55.609 54.000 0.006 0.000 0.826 654 D CB -0.455 40.347 40.800 0.003 0.000 0.973 654 D HN 0.583 nan 8.370 nan 0.000 0.460 655 E N 0.621 120.823 120.200 0.003 0.000 2.077 655 E HA -0.075 4.275 4.350 0.001 0.000 0.193 655 E C 2.338 178.956 176.600 0.029 0.000 0.989 655 E CA 0.338 56.744 56.400 0.010 0.000 0.800 655 E CB -0.281 29.415 29.700 -0.007 0.000 0.746 655 E HN 0.240 nan 8.360 nan 0.000 0.452 656 L N -0.008 121.228 121.223 0.021 0.000 2.046 656 L HA -0.171 4.170 4.340 0.001 0.000 0.208 656 L C 2.293 179.227 176.870 0.107 0.000 1.077 656 L CA 0.636 55.512 54.840 0.059 0.000 0.747 656 L CB -0.361 41.724 42.059 0.043 0.000 0.896 656 L HN 0.202 nan 8.230 nan 0.000 0.432 657 L N -0.083 121.185 121.223 0.075 0.000 2.093 657 L HA -0.097 4.243 4.340 0.001 0.000 0.208 657 L C 2.592 179.552 176.870 0.150 0.000 1.085 657 L CA 1.892 56.794 54.840 0.103 0.000 0.755 657 L CB -0.703 41.385 42.059 0.047 0.000 0.904 657 L HN 0.141 nan 8.230 nan 0.000 0.435 658 A N -0.252 122.625 122.820 0.096 0.000 1.877 658 A HA -0.166 4.154 4.320 0.001 0.000 0.216 658 A C 2.113 179.752 177.584 0.093 0.000 1.186 658 A CA 1.941 54.026 52.037 0.080 0.000 0.620 658 A CB -0.718 18.311 19.000 0.048 0.000 0.822 658 A HN 0.407 nan 8.150 nan 0.000 0.443 659 I N -1.575 119.057 120.570 0.102 0.000 2.439 659 I HA -0.171 4.000 4.170 0.001 0.000 0.251 659 I C 2.332 178.527 176.117 0.130 0.000 1.139 659 I CA 1.169 62.528 61.300 0.097 0.000 1.438 659 I CB -1.577 36.477 38.000 0.091 0.000 1.085 659 I HN 0.570 nan 8.210 nan 0.000 0.427 660 Y N 2.782 123.117 120.300 0.057 0.000 2.145 660 Y HA -0.252 4.299 4.550 0.001 0.000 0.286 660 Y C 2.390 178.336 175.900 0.077 0.000 1.145 660 Y CA 1.868 60.009 58.100 0.069 0.000 1.148 660 Y CB -0.278 38.221 38.460 0.065 0.000 0.981 660 Y HN 0.189 nan 8.280 nan 0.000 0.507 661 N N 0.400 119.162 118.700 0.104 0.000 2.216 661 N HA -0.107 4.634 4.740 0.001 0.000 0.183 661 N C 1.962 177.478 175.510 0.010 0.000 1.017 661 N CA 1.304 54.361 53.050 0.012 0.000 0.861 661 N CB -0.708 37.826 38.487 0.078 0.000 0.986 661 N HN 0.507 nan 8.380 nan 0.000 0.428 662 A N 1.049 123.887 122.820 0.029 0.000 2.019 662 A HA -0.053 4.268 4.320 0.001 0.000 0.219 662 A C 1.628 179.220 177.584 0.014 0.000 1.164 662 A CA 1.060 53.114 52.037 0.027 0.000 0.644 662 A CB -0.231 18.785 19.000 0.027 0.000 0.805 662 A HN 0.256 nan 8.150 nan 0.000 0.449 663 N N -1.203 117.489 118.700 -0.012 0.000 2.268 663 N HA 0.061 4.801 4.740 0.001 0.000 0.204 663 N C -0.372 175.098 175.510 -0.066 0.000 1.124 663 N CA -0.166 52.861 53.050 -0.039 0.000 0.838 663 N CB 0.104 38.569 38.487 -0.037 0.000 0.994 663 N HN 0.599 nan 8.380 nan 0.000 0.489 664 Y N 2.464 122.666 120.300 -0.164 0.000 2.597 664 Y HA -0.007 4.544 4.550 0.001 0.000 0.336 664 Y C -0.194 175.646 175.900 -0.099 0.000 1.216 664 Y CA 0.375 58.376 58.100 -0.165 0.000 1.463 664 Y CB 0.442 38.812 38.460 -0.151 0.000 1.303 664 Y HN -0.006 nan 8.280 nan 0.000 0.576 665 Q N 4.029 123.270 119.800 -0.931 0.000 2.290 665 Q HA 0.216 4.557 4.340 0.001 0.000 0.269 665 Q C 0.467 175.928 176.000 -0.898 0.000 1.016 665 Q CA -0.175 55.196 55.803 -0.719 0.000 0.754 665 Q CB 1.912 30.436 28.738 -0.356 0.000 1.247 665 Q HN 0.911 nan 8.270 nan 0.000 0.451 666 S N 1.305 116.581 115.700 -0.707 0.000 2.371 666 S HA -0.014 4.456 4.470 0.001 0.000 0.224 666 S C 0.599 175.097 174.600 -0.171 0.000 1.029 666 S CA 0.585 58.579 58.200 -0.344 0.000 0.978 666 S CB 0.182 63.341 63.200 -0.069 0.000 0.833 666 S HN 0.483 nan 8.310 nan 0.000 0.466 667 E N 1.021 121.125 120.200 -0.160 0.000 2.301 667 E HA 0.262 4.613 4.350 0.001 0.000 0.275 667 E C -1.475 175.066 176.600 -0.098 0.000 1.030 667 E CA -0.386 55.954 56.400 -0.100 0.000 0.852 667 E CB 0.981 30.616 29.700 -0.108 0.000 1.060 667 E HN 0.539 nan 8.360 nan 0.000 0.401 668 Y N 3.255 123.459 120.300 -0.160 0.000 2.335 668 Y HA 0.307 4.857 4.550 0.001 0.000 0.339 668 Y C -0.509 175.269 175.900 -0.204 0.000 0.987 668 Y CA -0.466 57.525 58.100 -0.182 0.000 1.140 668 Y CB 0.700 39.062 38.460 -0.163 0.000 1.173 668 Y HN 0.315 nan 8.280 nan 0.000 0.486 669 R N 4.557 124.478 120.500 -0.966 0.000 2.628 669 R HA 0.497 4.837 4.340 0.001 0.000 0.288 669 R C -1.454 174.248 176.300 -0.997 0.000 0.980 669 R CA -1.178 54.450 56.100 -0.788 0.000 0.891 669 R CB 2.118 32.150 30.300 -0.448 0.000 1.188 669 R HN 0.476 nan 8.270 nan 0.000 0.450 670 V N 3.094 122.476 119.914 -0.886 0.000 2.056 670 V HA 0.151 4.272 4.120 0.001 0.000 0.267 670 V C -0.199 175.507 176.094 -0.647 0.000 1.535 670 V CA 0.219 61.987 62.300 -0.888 0.000 1.475 670 V CB -0.533 30.570 31.823 -1.199 0.000 1.441 670 V HN 0.706 nan 8.190 nan 0.000 0.500 671 E N 0.824 120.695 120.200 -0.548 0.000 2.272 671 E HA 0.409 4.759 4.350 0.001 0.000 0.269 671 E C 0.221 176.584 176.600 -0.395 0.000 0.877 671 E CA -0.826 55.317 56.400 -0.428 0.000 0.755 671 E CB 1.567 31.099 29.700 -0.280 0.000 1.192 671 E HN 0.382 nan 8.360 nan 0.000 0.422 672 H N 1.795 120.781 119.070 -0.141 0.000 2.353 672 H HA -0.171 4.386 4.556 0.001 0.000 0.298 672 H C 1.087 176.349 175.328 -0.110 0.000 1.103 672 H CA 1.656 57.634 56.048 -0.117 0.000 1.293 672 H CB 0.326 30.035 29.762 -0.089 0.000 1.372 672 H HN 0.617 nan 8.280 nan 0.000 0.501 673 E N 0.274 120.468 120.200 -0.010 0.000 2.072 673 E HA -0.133 4.217 4.350 0.001 0.000 0.191 673 E C 1.755 178.305 176.600 -0.083 0.000 0.985 673 E CA 1.109 57.486 56.400 -0.039 0.000 0.801 673 E CB 0.053 29.726 29.700 -0.044 0.000 0.750 673 E HN 0.474 nan 8.360 nan 0.000 0.452 674 D N 0.565 120.880 120.400 -0.142 0.000 2.117 674 D HA -0.099 4.542 4.640 0.001 0.000 0.198 674 D C 1.848 178.046 176.300 -0.170 0.000 0.982 674 D CA 0.764 54.654 54.000 -0.183 0.000 0.828 674 D CB -0.058 40.576 40.800 -0.276 0.000 0.967 674 D HN 0.125 nan 8.370 nan 0.000 0.464 675 I N 0.829 121.289 120.570 -0.183 0.000 2.286 675 I HA -0.266 3.905 4.170 0.001 0.000 0.248 675 I C 2.357 178.436 176.117 -0.064 0.000 1.115 675 I CA 0.936 62.155 61.300 -0.136 0.000 1.392 675 I CB -0.225 37.688 38.000 -0.145 0.000 1.065 675 I HN -0.028 nan 8.210 nan 0.000 0.418 676 A N 0.989 123.781 122.820 -0.046 0.000 1.877 676 A HA -0.232 4.089 4.320 0.001 0.000 0.216 676 A C 2.321 179.892 177.584 -0.023 0.000 1.186 676 A CA 1.716 53.740 52.037 -0.022 0.000 0.620 676 A CB -0.465 18.526 19.000 -0.016 0.000 0.822 676 A HN 0.315 nan 8.150 nan 0.000 0.443 677 K N -0.918 119.457 120.400 -0.041 0.000 2.097 677 K HA -0.151 4.169 4.320 0.001 0.000 0.206 677 K C 2.365 178.944 176.600 -0.035 0.000 1.049 677 K CA 1.560 57.823 56.287 -0.039 0.000 0.933 677 K CB -0.158 32.304 32.500 -0.063 0.000 0.717 677 K HN 0.481 nan 8.250 nan 0.000 0.442 678 R N 0.668 121.141 120.500 -0.046 0.000 2.092 678 R HA -0.082 4.258 4.340 0.001 0.000 0.231 678 R C 1.861 178.168 176.300 0.011 0.000 1.119 678 R CA 1.676 57.761 56.100 -0.025 0.000 0.970 678 R CB -0.127 30.158 30.300 -0.025 0.000 0.864 678 R HN 0.066 nan 8.270 nan 0.000 0.440 679 T N 1.561 116.121 114.554 0.009 0.000 2.821 679 T HA -0.130 4.221 4.350 0.001 0.000 0.267 679 T C 1.576 176.306 174.700 0.050 0.000 1.046 679 T CA 1.157 63.273 62.100 0.027 0.000 1.139 679 T CB -0.170 68.707 68.868 0.015 0.000 0.871 679 T HN 0.157 nan 8.240 nan 0.000 0.454 680 L N 1.418 122.668 121.223 0.046 0.000 2.027 680 L HA 0.116 4.457 4.340 0.001 0.000 0.206 680 L C 2.481 179.414 176.870 0.105 0.000 1.074 680 L CA 1.712 56.596 54.840 0.074 0.000 0.745 680 L CB -0.601 41.490 42.059 0.054 0.000 0.898 680 L HN 0.035 nan 8.230 nan 0.000 0.433 681 R N -0.325 120.222 120.500 0.078 0.000 2.083 681 R HA -0.190 4.150 4.340 0.001 0.000 0.237 681 R C 2.039 178.475 176.300 0.227 0.000 1.137 681 R CA 2.264 58.429 56.100 0.109 0.000 0.951 681 R CB -0.386 29.892 30.300 -0.036 0.000 0.851 681 R HN 0.589 nan 8.270 nan 0.000 0.434 682 N N -0.490 118.302 118.700 0.153 0.000 2.396 682 N HA -0.069 4.672 4.740 0.001 0.000 0.180 682 N C 1.550 177.133 175.510 0.121 0.000 1.028 682 N CA 0.587 53.729 53.050 0.153 0.000 0.893 682 N CB 0.038 38.583 38.487 0.097 0.000 0.967 682 N HN 0.283 nan 8.380 nan 0.000 0.440 683 A N 0.404 123.298 122.820 0.123 0.000 1.930 683 A HA -0.114 4.207 4.320 0.001 0.000 0.217 683 A C 2.329 180.030 177.584 0.196 0.000 1.175 683 A CA 0.861 52.967 52.037 0.115 0.000 0.627 683 A CB -0.790 18.299 19.000 0.149 0.000 0.815 683 A HN 0.421 nan 8.150 nan 0.000 0.443 684 C N -1.304 118.153 119.300 0.261 0.000 2.440 684 C HA -0.036 4.425 4.460 0.001 0.000 0.278 684 C C 2.507 177.638 174.990 0.235 0.000 1.295 684 C CA 1.021 60.233 59.018 0.324 0.000 1.738 684 C CB -1.372 26.546 27.740 0.297 0.000 1.987 684 C HN 0.673 nan 8.230 nan 0.000 0.492 685 L N 1.477 122.806 121.223 0.176 0.000 2.079 685 L HA -0.138 4.203 4.340 0.001 0.000 0.210 685 L C 2.659 179.528 176.870 -0.003 0.000 1.081 685 L CA 1.778 56.636 54.840 0.030 0.000 0.752 685 L CB -0.650 41.470 42.059 0.101 0.000 0.896 685 L HN 0.268 nan 8.230 nan 0.000 0.433 686 R N -1.385 119.098 120.500 -0.028 0.000 2.091 686 R HA -0.200 4.141 4.340 0.001 0.000 0.238 686 R C 2.195 178.448 176.300 -0.080 0.000 1.136 686 R CA 1.980 58.001 56.100 -0.131 0.000 0.959 686 R CB -0.654 29.458 30.300 -0.314 0.000 0.856 686 R HN 0.350 nan 8.270 nan 0.000 0.437 687 F N 0.666 120.672 119.950 0.094 0.000 2.187 687 F HA -0.031 4.497 4.527 0.001 0.000 0.295 687 F C 2.278 178.136 175.800 0.097 0.000 1.091 687 F CA 0.782 58.849 58.000 0.111 0.000 1.308 687 F CB -0.556 38.463 39.000 0.031 0.000 1.030 687 F HN -0.111 nan 8.300 nan 0.000 0.487 688 L N -0.233 121.101 121.223 0.186 0.000 2.187 688 L HA -0.207 4.133 4.340 0.001 0.000 0.213 688 L C 2.570 179.424 176.870 -0.026 0.000 1.100 688 L CA 0.939 55.799 54.840 0.034 0.000 0.765 688 L CB -0.975 41.015 42.059 -0.115 0.000 0.904 688 L HN 0.154 nan 8.230 nan 0.000 0.437 689 A N -0.626 122.157 122.820 -0.061 0.000 2.070 689 A HA -0.137 4.184 4.320 0.001 0.000 0.220 689 A C 1.593 178.969 177.584 -0.347 0.000 1.159 689 A CA 1.220 53.120 52.037 -0.228 0.000 0.656 689 A CB -0.530 18.281 19.000 -0.315 0.000 0.800 689 A HN 0.390 nan 8.150 nan 0.000 0.453 690 F N -0.360 119.578 119.950 -0.019 0.000 2.639 690 F HA 0.325 4.853 4.527 0.001 0.000 0.300 690 F C 1.596 177.397 175.800 0.002 0.000 1.109 690 F CA -0.252 57.744 58.000 -0.005 0.000 1.335 690 F CB -0.016 38.992 39.000 0.013 0.000 1.014 690 F HN 0.211 nan 8.300 nan 0.000 0.537 691 G N -0.730 108.124 108.800 0.092 0.000 2.494 691 G HA2 0.053 4.013 3.960 0.001 0.000 0.270 691 G HA3 0.053 4.013 3.960 0.001 0.000 0.270 691 G C -0.341 174.578 174.900 0.033 0.000 1.423 691 G CA -0.447 44.689 45.100 0.060 0.000 1.055 691 G HN 0.021 nan 8.290 nan 0.000 0.536 692 E N -0.131 120.084 120.200 0.024 0.000 2.585 692 E HA -0.039 4.312 4.350 0.001 0.000 0.252 692 E C 1.656 178.265 176.600 0.016 0.000 0.981 692 E CA 0.286 56.702 56.400 0.027 0.000 0.943 692 E CB 0.257 29.977 29.700 0.033 0.000 0.923 692 E HN 0.360 nan 8.360 nan 0.000 0.486 693 T N 4.480 119.047 114.554 0.022 0.000 2.564 693 T HA -0.302 4.048 4.350 0.001 0.000 0.264 693 T C 1.431 176.145 174.700 0.024 0.000 1.100 693 T CA 2.203 64.309 62.100 0.009 0.000 1.171 693 T CB -0.659 68.223 68.868 0.022 0.000 0.863 693 T HN 0.694 nan 8.240 nan 0.000 0.430 694 H N 0.751 119.805 119.070 -0.026 0.000 2.319 694 H HA -0.033 4.524 4.556 0.001 0.000 0.299 694 H C 2.097 177.410 175.328 -0.025 0.000 1.092 694 H CA 1.586 57.621 56.048 -0.022 0.000 1.302 694 H CB -0.692 29.061 29.762 -0.014 0.000 1.373 694 H HN 0.210 nan 8.280 nan 0.000 0.497 695 L N 0.258 121.426 121.223 -0.092 0.000 2.012 695 L HA -0.078 4.262 4.340 0.001 0.000 0.210 695 L C 2.497 179.273 176.870 -0.157 0.000 1.073 695 L CA 2.079 56.834 54.840 -0.142 0.000 0.748 695 L CB -1.252 40.780 42.059 -0.045 0.000 0.891 695 L HN 0.404 nan 8.230 nan 0.000 0.431 696 A N -1.086 121.663 122.820 -0.118 0.000 1.898 696 A HA -0.255 4.065 4.320 0.001 0.000 0.216 696 A C 2.092 179.588 177.584 -0.148 0.000 1.181 696 A CA 1.777 53.734 52.037 -0.133 0.000 0.620 696 A CB -0.974 17.950 19.000 -0.127 0.000 0.819 696 A HN 0.547 nan 8.150 nan 0.000 0.442 697 D N -0.599 119.715 120.400 -0.143 0.000 2.117 697 D HA -0.121 4.519 4.640 0.001 0.000 0.197 697 D C 1.815 178.039 176.300 -0.126 0.000 0.987 697 D CA 1.512 55.438 54.000 -0.124 0.000 0.829 697 D CB -0.018 40.733 40.800 -0.082 0.000 0.961 697 D HN 0.155 nan 8.370 nan 0.000 0.460 698 V N 0.286 120.081 119.914 -0.198 0.000 2.307 698 V HA -0.172 3.949 4.120 0.001 0.000 0.245 698 V C 2.441 178.485 176.094 -0.083 0.000 1.045 698 V CA 1.270 63.474 62.300 -0.160 0.000 1.024 698 V CB -0.537 31.128 31.823 -0.264 0.000 0.651 698 V HN 0.258 nan 8.190 nan 0.000 0.449 699 L N -0.064 121.094 121.223 -0.108 0.000 2.017 699 L HA -0.127 4.214 4.340 0.001 0.000 0.208 699 L C 2.355 179.195 176.870 -0.048 0.000 1.073 699 L CA 1.909 56.697 54.840 -0.087 0.000 0.745 699 L CB -0.467 41.489 42.059 -0.172 0.000 0.894 699 L HN 0.119 nan 8.230 nan 0.000 0.432 700 V N -1.395 118.474 119.914 -0.075 0.000 2.307 700 V HA -0.258 3.862 4.120 0.001 0.000 0.245 700 V C 2.714 178.808 176.094 0.001 0.000 1.045 700 V CA 1.824 64.096 62.300 -0.047 0.000 1.024 700 V CB -0.616 31.147 31.823 -0.100 0.000 0.651 700 V HN 0.615 nan 8.190 nan 0.000 0.449 701 S N -0.682 115.012 115.700 -0.009 0.000 2.382 701 S HA -0.272 4.199 4.470 0.001 0.000 0.228 701 S C 2.125 176.803 174.600 0.131 0.000 1.027 701 S CA 2.130 60.346 58.200 0.028 0.000 0.991 701 S CB -0.274 62.977 63.200 0.085 0.000 0.823 701 S HN 0.596 nan 8.310 nan 0.000 0.469 702 K N 0.540 121.017 120.400 0.129 0.000 2.026 702 K HA -0.163 4.158 4.320 0.001 0.000 0.208 702 K C 2.455 179.149 176.600 0.157 0.000 1.048 702 K CA 1.710 58.091 56.287 0.157 0.000 0.929 702 K CB -0.340 32.219 32.500 0.098 0.000 0.713 702 K HN 0.510 nan 8.250 nan 0.000 0.439 703 Q N -0.459 119.429 119.800 0.146 0.000 2.124 703 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 703 Q C 1.942 178.019 176.000 0.128 0.000 0.977 703 Q CA 1.574 57.473 55.803 0.160 0.000 0.850 703 Q CB -0.183 28.674 28.738 0.199 0.000 0.901 703 Q HN 0.381 nan 8.270 nan 0.000 0.429 704 F N 0.532 120.455 119.950 -0.046 0.000 2.102 704 F HA -0.256 4.271 4.527 0.001 0.000 0.298 704 F C 2.065 177.810 175.800 -0.091 0.000 1.105 704 F CA 1.841 59.775 58.000 -0.110 0.000 1.239 704 F CB -0.152 38.696 39.000 -0.253 0.000 0.991 704 F HN 0.235 nan 8.300 nan 0.000 0.474 705 H N -0.131 119.020 119.070 0.135 0.000 2.436 705 H HA 0.023 4.579 4.556 0.001 0.000 0.294 705 H C 1.807 177.122 175.328 -0.022 0.000 1.048 705 H CA 1.559 57.625 56.048 0.031 0.000 1.353 705 H CB -0.310 29.523 29.762 0.118 0.000 1.414 705 H HN 0.488 nan 8.280 nan 0.000 0.536 706 E N 0.641 120.913 120.200 0.121 0.000 2.447 706 E HA 0.211 4.561 4.350 0.001 0.000 0.195 706 E C 0.815 177.439 176.600 0.040 0.000 1.028 706 E CA -0.133 56.315 56.400 0.080 0.000 0.876 706 E CB 0.473 30.232 29.700 0.099 0.000 0.885 706 E HN 0.212 nan 8.360 nan 0.000 0.500 707 A N 2.982 125.800 122.820 -0.003 0.000 2.565 707 A HA -0.034 4.287 4.320 0.001 0.000 0.237 707 A C 0.613 178.158 177.584 -0.064 0.000 1.053 707 A CA 0.057 52.074 52.037 -0.034 0.000 0.755 707 A CB -0.015 18.935 19.000 -0.083 0.000 0.980 707 A HN 0.289 nan 8.150 nan 0.000 0.506 708 N N 1.440 120.099 118.700 -0.068 0.000 2.275 708 N HA 0.074 4.815 4.740 0.001 0.000 0.236 708 N C -0.596 174.794 175.510 -0.200 0.000 1.154 708 N CA -0.142 52.854 53.050 -0.090 0.000 0.866 708 N CB -0.036 38.427 38.487 -0.040 0.000 1.093 708 N HN 0.721 nan 8.380 nan 0.000 0.515 709 N N -1.297 117.242 118.700 -0.268 0.000 2.859 709 N HA 0.065 4.805 4.740 0.001 0.000 0.250 709 N C -0.174 175.155 175.510 -0.302 0.000 1.341 709 N CA -0.551 52.214 53.050 -0.476 0.000 0.881 709 N CB 0.927 38.766 38.487 -1.079 0.000 1.516 709 N HN -0.147 nan 8.380 nan 0.000 0.503 710 M N 1.132 120.565 119.600 -0.277 0.000 2.374 710 M HA 0.040 4.520 4.480 0.001 0.000 0.264 710 M C 1.318 177.563 176.300 -0.093 0.000 1.067 710 M CA 1.793 56.996 55.300 -0.163 0.000 1.103 710 M CB -0.842 31.645 32.600 -0.187 0.000 1.402 710 M HN 0.722 nan 8.290 nan 0.000 0.444 711 T N 0.694 115.183 114.554 -0.109 0.000 2.674 711 T HA -0.139 4.211 4.350 0.001 0.000 0.265 711 T C 1.374 176.078 174.700 0.007 0.000 1.039 711 T CA 1.826 63.916 62.100 -0.017 0.000 1.150 711 T CB -0.423 68.468 68.868 0.039 0.000 0.864 711 T HN 0.403 nan 8.240 nan 0.000 0.427 712 D N 1.064 121.456 120.400 -0.013 0.000 2.183 712 D HA 0.073 4.714 4.640 0.001 0.000 0.203 712 D C 2.332 178.661 176.300 0.050 0.000 0.969 712 D CA 0.998 55.016 54.000 0.030 0.000 0.842 712 D CB -0.393 40.420 40.800 0.022 0.000 0.957 712 D HN 0.393 nan 8.370 nan 0.000 0.484 713 A N 0.892 123.715 122.820 0.005 0.000 1.873 713 A HA -0.126 4.195 4.320 0.001 0.000 0.215 713 A C 2.147 179.864 177.584 0.221 0.000 1.186 713 A CA 0.906 52.963 52.037 0.033 0.000 0.616 713 A CB -0.708 18.227 19.000 -0.109 0.000 0.823 713 A HN 0.226 nan 8.150 nan 0.000 0.442 714 L N -0.291 121.021 121.223 0.149 0.000 2.093 714 L HA -0.008 4.333 4.340 0.001 0.000 0.208 714 L C 2.643 179.565 176.870 0.086 0.000 1.085 714 L CA 1.953 56.874 54.840 0.135 0.000 0.755 714 L CB -0.709 41.395 42.059 0.075 0.000 0.904 714 L HN 0.348 nan 8.230 nan 0.000 0.435 715 A N -0.512 122.354 122.820 0.077 0.000 1.902 715 A HA -0.121 4.199 4.320 0.001 0.000 0.217 715 A C 2.449 180.067 177.584 0.057 0.000 1.181 715 A CA 1.821 53.892 52.037 0.058 0.000 0.623 715 A CB -1.101 17.942 19.000 0.071 0.000 0.818 715 A HN 0.546 nan 8.150 nan 0.000 0.443 716 A N -0.655 122.230 122.820 0.109 0.000 1.873 716 A HA 0.006 4.327 4.320 0.001 0.000 0.215 716 A C 2.127 179.727 177.584 0.027 0.000 1.186 716 A CA 1.661 53.756 52.037 0.097 0.000 0.616 716 A CB -0.645 18.473 19.000 0.197 0.000 0.823 716 A HN 0.625 nan 8.150 nan 0.000 0.442 717 L N 0.192 121.462 121.223 0.080 0.000 2.046 717 L HA -0.122 4.218 4.340 0.001 0.000 0.208 717 L C 2.534 179.329 176.870 -0.125 0.000 1.077 717 L CA 2.540 57.325 54.840 -0.090 0.000 0.747 717 L CB -0.609 41.436 42.059 -0.023 0.000 0.896 717 L HN 0.310 nan 8.230 nan 0.000 0.432 718 S N -0.313 115.342 115.700 -0.076 0.000 2.382 718 S HA -0.144 4.326 4.470 0.001 0.000 0.228 718 S C 2.078 176.616 174.600 -0.104 0.000 1.027 718 S CA 1.060 59.204 58.200 -0.092 0.000 0.991 718 S CB -0.587 62.580 63.200 -0.056 0.000 0.823 718 S HN 0.657 nan 8.310 nan 0.000 0.469 719 A N 1.545 124.306 122.820 -0.099 0.000 1.930 719 A HA 0.194 4.514 4.320 0.001 0.000 0.217 719 A C 2.354 179.816 177.584 -0.204 0.000 1.175 719 A CA 1.527 53.480 52.037 -0.141 0.000 0.627 719 A CB -1.013 17.914 19.000 -0.121 0.000 0.815 719 A HN 0.503 nan 8.150 nan 0.000 0.443 720 A N -0.510 122.199 122.820 -0.185 0.000 1.902 720 A HA -0.007 4.313 4.320 0.001 0.000 0.217 720 A C 2.223 179.688 177.584 -0.199 0.000 1.181 720 A CA 1.873 53.788 52.037 -0.204 0.000 0.623 720 A CB -0.832 18.040 19.000 -0.214 0.000 0.818 720 A HN 0.373 nan 8.150 nan 0.000 0.443 721 V N -0.326 119.477 119.914 -0.185 0.000 2.323 721 V HA -0.170 3.950 4.120 0.001 0.000 0.244 721 V C 3.055 179.069 176.094 -0.133 0.000 1.041 721 V CA 1.738 63.938 62.300 -0.167 0.000 1.025 721 V CB -1.237 30.478 31.823 -0.180 0.000 0.656 721 V HN 0.602 nan 8.190 nan 0.000 0.451 722 A N 0.092 122.840 122.820 -0.121 0.000 1.908 722 A HA -0.107 4.214 4.320 0.001 0.000 0.218 722 A C 2.157 179.701 177.584 -0.068 0.000 1.181 722 A CA 2.192 54.203 52.037 -0.044 0.000 0.627 722 A CB -0.597 18.406 19.000 0.006 0.000 0.818 722 A HN 0.625 nan 8.150 nan 0.000 0.445 723 A N -1.795 120.804 122.820 -0.369 0.000 2.308 723 A HA 0.347 4.667 4.320 0.001 0.000 0.217 723 A C 0.712 178.127 177.584 -0.281 0.000 1.216 723 A CA 0.556 52.211 52.037 -0.637 0.000 0.864 723 A CB -0.392 17.905 19.000 -1.173 0.000 0.902 723 A HN 0.560 nan 8.150 nan 0.000 0.499 724 Q N -0.349 119.345 119.800 -0.178 0.000 2.435 724 Q HA -0.181 4.160 4.340 0.001 0.000 0.312 724 Q C -0.637 175.287 176.000 -0.126 0.000 1.333 724 Q CA 0.361 56.092 55.803 -0.120 0.000 0.883 724 Q CB -1.756 26.943 28.738 -0.065 0.000 1.170 724 Q HN 0.680 nan 8.270 nan 0.000 0.443 725 L N -0.458 120.668 121.223 -0.161 0.000 2.464 725 L HA 0.065 4.406 4.340 0.001 0.000 0.264 725 L C -0.890 175.923 176.870 -0.095 0.000 1.199 725 L CA -1.617 53.141 54.840 -0.137 0.000 0.818 725 L CB 0.069 42.029 42.059 -0.164 0.000 1.102 725 L HN -0.015 nan 8.230 nan 0.000 0.473 726 P HA -0.173 nan 4.420 nan 0.000 0.216 726 P C 1.474 178.748 177.300 -0.043 0.000 1.150 726 P CA 1.255 64.331 63.100 -0.039 0.000 0.843 726 P CB -0.014 31.680 31.700 -0.011 0.000 0.787 727 C N -1.439 117.827 119.300 -0.057 0.000 2.522 727 C HA 0.177 4.638 4.460 0.001 0.000 0.271 727 C C 2.487 177.415 174.990 -0.104 0.000 1.425 727 C CA -0.497 58.485 59.018 -0.060 0.000 1.751 727 C CB -1.887 25.817 27.740 -0.060 0.000 1.775 727 C HN 0.129 nan 8.230 nan 0.000 0.557 728 R N 1.647 122.075 120.500 -0.120 0.000 2.115 728 R HA -0.207 4.133 4.340 0.001 0.000 0.239 728 R C 1.767 177.996 176.300 -0.119 0.000 1.133 728 R CA 2.730 58.742 56.100 -0.147 0.000 0.935 728 R CB -0.604 29.613 30.300 -0.138 0.000 0.853 728 R HN 0.485 nan 8.270 nan 0.000 0.433 729 D N -0.085 120.272 120.400 -0.073 0.000 2.149 729 D HA -0.152 4.489 4.640 0.001 0.000 0.198 729 D C 1.724 178.023 176.300 -0.001 0.000 0.990 729 D CA 1.551 55.532 54.000 -0.032 0.000 0.839 729 D CB -0.328 40.462 40.800 -0.016 0.000 0.948 729 D HN 0.456 nan 8.370 nan 0.000 0.460 730 A N 0.691 123.504 122.820 -0.011 0.000 1.873 730 A HA -0.105 4.216 4.320 0.001 0.000 0.215 730 A C 2.404 179.992 177.584 0.007 0.000 1.186 730 A CA 0.875 52.925 52.037 0.022 0.000 0.616 730 A CB -0.742 18.280 19.000 0.037 0.000 0.823 730 A HN 0.200 nan 8.150 nan 0.000 0.442 731 L N -1.079 120.067 121.223 -0.128 0.000 2.046 731 L HA -0.200 4.141 4.340 0.001 0.000 0.208 731 L C 2.811 179.593 176.870 -0.145 0.000 1.077 731 L CA 1.105 55.722 54.840 -0.371 0.000 0.747 731 L CB -0.635 40.946 42.059 -0.798 0.000 0.896 731 L HN 0.340 nan 8.230 nan 0.000 0.432 732 M N -0.515 119.069 119.600 -0.028 0.000 2.159 732 M HA -0.213 4.268 4.480 0.001 0.000 0.263 732 M C 2.283 178.852 176.300 0.448 0.000 1.063 732 M CA 1.638 57.083 55.300 0.241 0.000 1.110 732 M CB -0.928 31.724 32.600 0.086 0.000 1.374 732 M HN 0.227 nan 8.290 nan 0.000 0.411 733 Q N 0.798 120.754 119.800 0.260 0.000 2.123 733 Q HA -0.109 4.231 4.340 0.001 0.000 0.199 733 Q C 1.699 177.819 176.000 0.200 0.000 0.966 733 Q CA 1.674 57.613 55.803 0.228 0.000 0.845 733 Q CB -0.091 28.735 28.738 0.146 0.000 0.907 733 Q HN 0.541 nan 8.270 nan 0.000 0.439 734 E N -1.209 119.121 120.200 0.216 0.000 2.077 734 E HA -0.213 4.137 4.350 0.001 0.000 0.193 734 E C 1.658 178.438 176.600 0.299 0.000 0.989 734 E CA 1.186 57.733 56.400 0.244 0.000 0.800 734 E CB -0.259 29.642 29.700 0.336 0.000 0.746 734 E HN 0.470 nan 8.360 nan 0.000 0.452 735 Y N 1.660 122.126 120.300 0.278 0.000 2.163 735 Y HA -0.258 4.292 4.550 0.001 0.000 0.288 735 Y C 2.208 178.152 175.900 0.072 0.000 1.136 735 Y CA 1.776 60.075 58.100 0.331 0.000 1.147 735 Y CB 0.056 38.768 38.460 0.420 0.000 0.987 735 Y HN -0.001 nan 8.280 nan 0.000 0.509 736 D N 0.177 120.645 120.400 0.113 0.000 2.092 736 D HA -0.209 4.431 4.640 0.001 0.000 0.193 736 D C 1.599 177.905 176.300 0.010 0.000 0.994 736 D CA 1.911 55.789 54.000 -0.202 0.000 0.828 736 D CB -0.354 40.292 40.800 -0.257 0.000 0.963 736 D HN 0.396 nan 8.370 nan 0.000 0.450 737 D N -0.069 120.361 120.400 0.050 0.000 2.182 737 D HA -0.156 4.485 4.640 0.001 0.000 0.201 737 D C 1.928 178.235 176.300 0.012 0.000 0.986 737 D CA 0.813 54.856 54.000 0.073 0.000 0.847 737 D CB -0.138 40.682 40.800 0.032 0.000 0.942 737 D HN 0.371 nan 8.370 nan 0.000 0.467 738 K N -0.916 119.381 120.400 -0.172 0.000 2.186 738 K HA -0.065 4.256 4.320 0.001 0.000 0.202 738 K C 1.089 177.192 176.600 -0.829 0.000 1.052 738 K CA 0.527 56.487 56.287 -0.546 0.000 0.965 738 K CB 0.138 32.206 32.500 -0.720 0.000 0.746 738 K HN 0.131 nan 8.250 nan 0.000 0.457 739 W N 0.149 121.269 121.300 -0.301 0.000 2.870 739 W HA 0.137 4.797 4.660 0.001 0.000 0.358 739 W C 1.242 177.581 176.519 -0.300 0.000 1.043 739 W CA -0.219 56.909 57.345 -0.363 0.000 1.692 739 W CB 0.218 29.361 29.460 -0.528 0.000 1.100 739 W HN 0.283 nan 8.180 nan 0.000 0.557 740 H N 0.444 119.502 119.070 -0.020 0.000 2.460 740 H HA -0.264 4.293 4.556 0.001 0.000 0.297 740 H C 1.962 177.320 175.328 0.051 0.000 1.103 740 H CA 1.974 58.020 56.048 -0.004 0.000 1.292 740 H CB -0.462 29.292 29.762 -0.013 0.000 1.376 740 H HN 0.151 nan 8.280 nan 0.000 0.531 741 Q N 0.574 120.136 119.800 -0.397 0.000 2.451 741 Q HA -0.040 4.301 4.340 0.001 0.000 0.206 741 Q C -0.128 175.861 176.000 -0.018 0.000 0.947 741 Q CA 0.493 56.199 55.803 -0.162 0.000 0.937 741 Q CB -0.092 28.487 28.738 -0.265 0.000 1.025 741 Q HN 0.503 nan 8.270 nan 0.000 0.511 742 N N 0.898 119.615 118.700 0.029 0.000 2.546 742 N HA 0.210 4.951 4.740 0.001 0.000 0.238 742 N C 0.588 176.126 175.510 0.048 0.000 0.984 742 N CA 0.329 53.414 53.050 0.058 0.000 0.935 742 N CB 1.255 39.818 38.487 0.127 0.000 1.122 742 N HN 0.189 nan 8.380 nan 0.000 0.510 743 G N 3.396 112.223 108.800 0.045 0.000 2.446 743 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 743 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 743 G C 1.486 176.416 174.900 0.050 0.000 1.168 743 G CA 0.605 45.745 45.100 0.067 0.000 0.771 743 G HN 0.594 nan 8.290 nan 0.000 0.551 744 L N 0.177 121.392 121.223 -0.014 0.000 2.083 744 L HA -0.097 4.243 4.340 0.001 0.000 0.209 744 L C 2.970 179.811 176.870 -0.048 0.000 1.083 744 L CA 0.507 55.322 54.840 -0.042 0.000 0.752 744 L CB -0.455 41.552 42.059 -0.087 0.000 0.899 744 L HN 0.116 nan 8.230 nan 0.000 0.433 745 V N -0.912 118.943 119.914 -0.098 0.000 2.453 745 V HA -0.225 3.895 4.120 0.001 0.000 0.247 745 V C 2.472 178.595 176.094 0.048 0.000 1.048 745 V CA 1.227 63.424 62.300 -0.172 0.000 1.049 745 V CB -0.334 31.179 31.823 -0.517 0.000 0.672 745 V HN 0.365 nan 8.190 nan 0.000 0.457 746 M N -0.384 119.256 119.600 0.066 0.000 2.374 746 M HA -0.101 4.379 4.480 0.001 0.000 0.264 746 M C 1.803 178.163 176.300 0.100 0.000 1.067 746 M CA 1.163 56.489 55.300 0.042 0.000 1.103 746 M CB -1.229 31.321 32.600 -0.083 0.000 1.402 746 M HN 0.342 nan 8.290 nan 0.000 0.444 747 D N 0.792 121.323 120.400 0.217 0.000 2.178 747 D HA -0.138 4.503 4.640 0.001 0.000 0.201 747 D C 1.911 178.337 176.300 0.210 0.000 0.980 747 D CA 1.096 55.281 54.000 0.307 0.000 0.842 747 D CB -0.052 40.852 40.800 0.172 0.000 0.948 747 D HN 0.409 nan 8.370 nan 0.000 0.472 748 K N -0.564 119.911 120.400 0.126 0.000 2.097 748 K HA -0.147 4.174 4.320 0.001 0.000 0.205 748 K C 2.045 178.656 176.600 0.018 0.000 1.050 748 K CA 0.718 57.042 56.287 0.062 0.000 0.938 748 K CB -0.139 32.391 32.500 0.050 0.000 0.718 748 K HN 0.206 nan 8.250 nan 0.000 0.442 749 W N 0.862 122.015 121.300 -0.245 0.000 2.381 749 W HA -0.119 4.541 4.660 0.001 0.000 0.301 749 W C 1.526 177.892 176.519 -0.254 0.000 1.205 749 W CA 1.199 58.299 57.345 -0.409 0.000 1.285 749 W CB -0.153 29.021 29.460 -0.477 0.000 1.133 749 W HN -0.111 nan 8.180 nan 0.000 0.521 750 F N 0.373 120.452 119.950 0.215 0.000 2.171 750 F HA -0.173 4.354 4.527 0.001 0.000 0.300 750 F C 2.220 177.989 175.800 -0.052 0.000 1.090 750 F CA 1.433 59.470 58.000 0.062 0.000 1.293 750 F CB -1.252 37.846 39.000 0.163 0.000 1.013 750 F HN -0.161 nan 8.300 nan 0.000 0.486 751 I N -0.527 120.138 120.570 0.159 0.000 2.226 751 I HA -0.309 3.861 4.170 0.001 0.000 0.245 751 I C 2.316 178.414 176.117 -0.032 0.000 1.100 751 I CA 1.174 62.511 61.300 0.062 0.000 1.374 751 I CB -0.487 37.541 38.000 0.047 0.000 1.057 751 I HN 0.104 nan 8.210 nan 0.000 0.413 752 L N -0.126 121.025 121.223 -0.120 0.000 2.083 752 L HA -0.215 4.125 4.340 0.001 0.000 0.209 752 L C 2.738 179.465 176.870 -0.238 0.000 1.083 752 L CA 1.132 55.853 54.840 -0.197 0.000 0.752 752 L CB -0.596 41.287 42.059 -0.293 0.000 0.899 752 L HN 0.332 nan 8.230 nan 0.000 0.433 753 Q N -0.207 119.399 119.800 -0.324 0.000 2.079 753 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 753 Q C 2.411 178.332 176.000 -0.132 0.000 0.974 753 Q CA 1.718 57.329 55.803 -0.320 0.000 0.840 753 Q CB -0.277 28.203 28.738 -0.429 0.000 0.898 753 Q HN 0.530 nan 8.270 nan 0.000 0.430 754 A N 0.992 123.789 122.820 -0.038 0.000 2.015 754 A HA -0.094 4.226 4.320 0.001 0.000 0.219 754 A C 1.989 179.637 177.584 0.108 0.000 1.163 754 A CA 1.787 53.878 52.037 0.091 0.000 0.646 754 A CB -0.398 18.685 19.000 0.137 0.000 0.806 754 A HN 0.463 nan 8.150 nan 0.000 0.448 755 T N -2.854 111.708 114.554 0.014 0.000 3.186 755 T HA 0.310 4.660 4.350 0.001 0.000 0.257 755 T C 0.594 175.277 174.700 -0.027 0.000 1.029 755 T CA 0.426 62.522 62.100 -0.007 0.000 0.916 755 T CB -0.359 68.496 68.868 -0.021 0.000 1.041 755 T HN 0.222 nan 8.240 nan 0.000 0.562 756 S N 3.095 118.771 115.700 -0.040 0.000 2.562 756 S HA 0.228 4.698 4.470 0.001 0.000 0.281 756 S C -1.122 173.461 174.600 -0.027 0.000 1.333 756 S CA -1.167 56.998 58.200 -0.059 0.000 1.052 756 S CB 0.875 64.017 63.200 -0.096 0.000 0.884 756 S HN 0.253 nan 8.310 nan 0.000 0.506 757 P HA 0.186 nan 4.420 nan 0.000 0.249 757 P C 0.105 177.401 177.300 -0.008 0.000 1.229 757 P CA 0.041 63.139 63.100 -0.004 0.000 0.788 757 P CB -0.247 31.464 31.700 0.020 0.000 1.072 758 A N 0.714 123.519 122.820 -0.026 0.000 2.531 758 A HA 0.343 4.664 4.320 0.001 0.000 0.236 758 A C 1.812 179.383 177.584 -0.021 0.000 1.062 758 A CA 0.443 52.461 52.037 -0.030 0.000 0.760 758 A CB 0.047 19.015 19.000 -0.053 0.000 0.995 758 A HN 0.186 nan 8.150 nan 0.000 0.501 759 A N 2.155 124.963 122.820 -0.020 0.000 1.972 759 A HA -0.143 4.178 4.320 0.001 0.000 0.219 759 A C 1.484 179.052 177.584 -0.027 0.000 1.169 759 A CA 1.642 53.669 52.037 -0.017 0.000 0.635 759 A CB -0.496 18.494 19.000 -0.016 0.000 0.810 759 A HN 1.024 nan 8.150 nan 0.000 0.446 760 N N 0.338 119.013 118.700 -0.040 0.000 2.327 760 N HA 0.033 4.773 4.740 0.001 0.000 0.231 760 N C 0.919 176.382 175.510 -0.080 0.000 1.130 760 N CA 0.545 53.559 53.050 -0.059 0.000 0.845 760 N CB -0.015 38.436 38.487 -0.060 0.000 1.073 760 N HN 0.165 nan 8.380 nan 0.000 0.496 761 V N 0.511 120.392 119.914 -0.054 0.000 2.332 761 V HA -0.231 3.890 4.120 0.001 0.000 0.248 761 V C 2.134 178.135 176.094 -0.155 0.000 1.055 761 V CA 1.460 63.725 62.300 -0.059 0.000 1.038 761 V CB -0.415 31.432 31.823 0.041 0.000 0.651 761 V HN 0.364 nan 8.190 nan 0.000 0.450 762 L N 0.700 121.820 121.223 -0.172 0.000 2.046 762 L HA -0.171 4.169 4.340 0.001 0.000 0.208 762 L C 2.484 179.080 176.870 -0.458 0.000 1.077 762 L CA 2.754 57.318 54.840 -0.461 0.000 0.747 762 L CB -1.062 40.795 42.059 -0.337 0.000 0.896 762 L HN 0.619 nan 8.230 nan 0.000 0.432 763 E N -1.346 118.693 120.200 -0.270 0.000 2.085 763 E HA -0.235 4.116 4.350 0.001 0.000 0.194 763 E C 1.819 178.291 176.600 -0.213 0.000 0.994 763 E CA 1.871 58.142 56.400 -0.216 0.000 0.801 763 E CB -0.083 29.538 29.700 -0.133 0.000 0.743 763 E HN 0.588 nan 8.360 nan 0.000 0.453 764 T N 0.357 114.792 114.554 -0.198 0.000 2.737 764 T HA -0.112 4.239 4.350 0.001 0.000 0.265 764 T C 1.940 176.514 174.700 -0.211 0.000 1.038 764 T CA 1.251 63.253 62.100 -0.164 0.000 1.144 764 T CB -0.203 68.575 68.868 -0.149 0.000 0.866 764 T HN 0.029 nan 8.240 nan 0.000 0.434 765 V N 1.558 121.273 119.914 -0.332 0.000 2.287 765 V HA -0.193 3.928 4.120 0.001 0.000 0.248 765 V C 2.647 178.482 176.094 -0.433 0.000 1.053 765 V CA 1.841 63.892 62.300 -0.414 0.000 1.027 765 V CB -0.601 30.814 31.823 -0.679 0.000 0.646 765 V HN 0.371 nan 8.190 nan 0.000 0.447 766 R N 0.179 120.359 120.500 -0.533 0.000 2.081 766 R HA -0.145 4.196 4.340 0.001 0.000 0.235 766 R C 2.313 178.513 176.300 -0.166 0.000 1.131 766 R CA 1.796 57.679 56.100 -0.362 0.000 0.960 766 R CB -0.720 29.368 30.300 -0.353 0.000 0.856 766 R HN 0.546 nan 8.270 nan 0.000 0.436 767 G N 0.824 109.540 108.800 -0.140 0.000 2.422 767 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 767 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 767 G C 1.390 176.295 174.900 0.009 0.000 1.140 767 G CA 0.376 45.448 45.100 -0.046 0.000 0.775 767 G HN 0.263 nan 8.290 nan 0.000 0.545 768 L N 0.283 121.496 121.223 -0.018 0.000 2.549 768 L HA 0.126 4.466 4.340 0.001 0.000 0.229 768 L C 2.418 179.232 176.870 -0.094 0.000 1.158 768 L CA -0.067 54.822 54.840 0.082 0.000 0.842 768 L CB -0.182 41.940 42.059 0.105 0.000 0.952 768 L HN 0.206 nan 8.230 nan 0.000 0.452 769 L N -0.595 120.503 121.223 -0.208 0.000 2.362 769 L HA -0.153 4.188 4.340 0.001 0.000 0.219 769 L C 1.960 178.902 176.870 0.121 0.000 1.134 769 L CA 0.648 55.334 54.840 -0.258 0.000 0.807 769 L CB -0.225 41.777 42.059 -0.095 0.000 0.927 769 L HN 0.379 nan 8.230 nan 0.000 0.447 770 Q N -1.740 118.138 119.800 0.131 0.000 2.282 770 Q HA 0.102 4.443 4.340 0.001 0.000 0.206 770 Q C 0.390 176.519 176.000 0.216 0.000 0.878 770 Q CA 0.081 55.983 55.803 0.166 0.000 0.944 770 Q CB -0.055 28.741 28.738 0.098 0.000 1.100 770 Q HN 0.390 nan 8.270 nan 0.000 0.509 771 H N 2.088 121.293 119.070 0.226 0.000 2.815 771 H HA 0.020 4.576 4.556 0.001 0.000 0.350 771 H C 1.287 176.787 175.328 0.286 0.000 1.080 771 H CA 0.542 56.762 56.048 0.286 0.000 1.433 771 H CB 0.850 30.896 29.762 0.474 0.000 1.432 771 H HN 0.169 nan 8.280 nan 0.000 0.592 772 R N 1.852 122.320 120.500 -0.054 0.000 2.200 772 R HA -0.069 4.272 4.340 0.001 0.000 0.234 772 R C 1.123 177.618 176.300 0.325 0.000 1.127 772 R CA 1.607 57.760 56.100 0.087 0.000 0.989 772 R CB -0.041 30.207 30.300 -0.087 0.000 0.869 772 R HN 0.228 nan 8.270 nan 0.000 0.459 773 S N -0.263 115.859 115.700 0.703 0.000 2.575 773 S HA 0.133 4.604 4.470 0.001 0.000 0.215 773 S C -0.291 174.683 174.600 0.623 0.000 0.966 773 S CA -0.347 58.215 58.200 0.604 0.000 0.911 773 S CB -0.040 63.477 63.200 0.529 0.000 0.780 773 S HN 0.286 nan 8.310 nan 0.000 0.514 774 F N 1.916 122.130 119.950 0.441 0.000 2.458 774 F HA 0.636 5.164 4.527 0.001 0.000 0.330 774 F C -0.023 175.834 175.800 0.095 0.000 1.082 774 F CA -0.168 57.906 58.000 0.123 0.000 0.995 774 F CB 1.789 40.748 39.000 -0.068 0.000 1.170 774 F HN -0.159 nan 8.300 nan 0.000 0.478 775 T N 6.472 120.357 114.554 -1.114 0.000 3.159 775 T HA 0.215 4.566 4.350 0.001 0.000 0.343 775 T C 0.342 174.540 174.700 -0.836 0.000 1.364 775 T CA -0.734 60.977 62.100 -0.648 0.000 1.102 775 T CB 0.959 69.715 68.868 -0.188 0.000 1.263 775 T HN 0.646 nan 8.240 nan 0.000 0.477 776 M N 2.842 122.208 119.600 -0.391 0.000 2.630 776 M HA 0.039 4.520 4.480 0.001 0.000 0.254 776 M C 2.177 178.417 176.300 -0.100 0.000 1.092 776 M CA 0.966 56.159 55.300 -0.177 0.000 1.087 776 M CB -1.118 31.491 32.600 0.014 0.000 1.453 776 M HN 0.784 nan 8.290 nan 0.000 0.509 777 S N -0.707 114.957 115.700 -0.060 0.000 2.562 777 S HA 0.030 4.500 4.470 0.001 0.000 0.221 777 S C 0.741 175.484 174.600 0.237 0.000 0.975 777 S CA -0.196 58.041 58.200 0.062 0.000 0.918 777 S CB -0.106 63.139 63.200 0.076 0.000 0.772 777 S HN 0.448 nan 8.310 nan 0.000 0.531 778 N N 1.723 120.470 118.700 0.078 0.000 2.443 778 N HA 0.357 5.098 4.740 0.001 0.000 0.269 778 N C -2.583 172.874 175.510 -0.088 0.000 0.985 778 N CA -1.976 51.074 53.050 -0.000 0.000 0.921 778 N CB 2.096 40.444 38.487 -0.232 0.000 1.195 778 N HN -0.121 nan 8.380 nan 0.000 0.492 779 P HA -0.068 nan 4.420 nan 0.000 0.216 779 P C 0.554 177.820 177.300 -0.057 0.000 1.150 779 P CA 1.313 64.385 63.100 -0.047 0.000 0.843 779 P CB 0.463 32.141 31.700 -0.035 0.000 0.787 780 N N -1.221 117.431 118.700 -0.080 0.000 2.142 780 N HA -0.111 4.630 4.740 0.001 0.000 0.186 780 N C 1.719 177.215 175.510 -0.023 0.000 1.023 780 N CA 0.976 53.991 53.050 -0.059 0.000 0.852 780 N CB -0.420 38.016 38.487 -0.084 0.000 0.998 780 N HN -0.007 nan 8.380 nan 0.000 0.424 781 R N 0.712 121.167 120.500 -0.075 0.000 2.073 781 R HA 0.024 4.364 4.340 0.001 0.000 0.234 781 R C 2.213 178.545 176.300 0.055 0.000 1.134 781 R CA 0.751 56.807 56.100 -0.073 0.000 0.952 781 R CB -1.065 29.009 30.300 -0.376 0.000 0.850 781 R HN 0.357 nan 8.270 nan 0.000 0.433 782 I N 0.708 121.280 120.570 0.003 0.000 2.163 782 I HA -0.297 3.874 4.170 0.001 0.000 0.243 782 I C 2.523 178.698 176.117 0.098 0.000 1.085 782 I CA 1.533 62.908 61.300 0.125 0.000 1.347 782 I CB -0.264 37.755 38.000 0.031 0.000 1.044 782 I HN 0.127 nan 8.210 nan 0.000 0.408 783 R N 0.095 120.620 120.500 0.042 0.000 2.115 783 R HA -0.068 4.273 4.340 0.001 0.000 0.230 783 R C 2.388 178.722 176.300 0.057 0.000 1.111 783 R CA 1.453 57.572 56.100 0.031 0.000 0.976 783 R CB -0.276 30.026 30.300 0.002 0.000 0.870 783 R HN 0.270 nan 8.270 nan 0.000 0.445 784 S N 0.641 116.392 115.700 0.084 0.000 2.428 784 S HA -0.049 4.422 4.470 0.001 0.000 0.230 784 S C 1.540 176.229 174.600 0.148 0.000 1.014 784 S CA 0.668 58.948 58.200 0.132 0.000 0.957 784 S CB 0.054 63.381 63.200 0.212 0.000 0.784 784 S HN 0.149 nan 8.310 nan 0.000 0.499 785 L N 0.824 122.099 121.223 0.087 0.000 2.379 785 L HA 0.435 4.776 4.340 0.001 0.000 0.190 785 L C 1.724 178.636 176.870 0.070 0.000 1.111 785 L CA 1.122 55.968 54.840 0.010 0.000 0.820 785 L CB -0.524 41.354 42.059 -0.302 0.000 1.046 785 L HN 0.151 nan 8.230 nan 0.000 0.485 786 I N -0.104 120.517 120.570 0.085 0.000 2.233 786 I HA -0.089 4.081 4.170 0.001 0.000 0.243 786 I C 2.404 178.606 176.117 0.142 0.000 1.093 786 I CA 1.246 62.639 61.300 0.155 0.000 1.380 786 I CB -1.031 37.011 38.000 0.071 0.000 1.067 786 I HN 0.422 nan 8.210 nan 0.000 0.413 787 G N 0.625 109.466 108.800 0.068 0.000 2.418 787 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 787 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 787 G C 1.868 176.775 174.900 0.012 0.000 1.158 787 G CA 0.839 45.948 45.100 0.014 0.000 0.771 787 G HN 0.477 nan 8.290 nan 0.000 0.545 788 A N 0.322 123.176 122.820 0.056 0.000 1.933 788 A HA 0.082 4.403 4.320 0.001 0.000 0.218 788 A C 2.143 179.758 177.584 0.053 0.000 1.175 788 A CA 1.550 53.615 52.037 0.046 0.000 0.628 788 A CB -0.512 18.530 19.000 0.069 0.000 0.814 788 A HN 0.407 nan 8.150 nan 0.000 0.444 789 F N 0.997 120.933 119.950 -0.023 0.000 2.075 789 F HA -0.047 4.481 4.527 0.001 0.000 0.297 789 F C 2.508 178.272 175.800 -0.060 0.000 1.113 789 F CA 1.451 59.444 58.000 -0.013 0.000 1.218 789 F CB -0.553 38.472 39.000 0.042 0.000 0.984 789 F HN 0.229 nan 8.300 nan 0.000 0.472 790 A N -0.206 122.513 122.820 -0.169 0.000 1.930 790 A HA 0.048 4.368 4.320 0.001 0.000 0.217 790 A C 2.347 179.522 177.584 -0.681 0.000 1.175 790 A CA 1.611 53.212 52.037 -0.727 0.000 0.627 790 A CB -1.611 16.988 19.000 -0.670 0.000 0.815 790 A HN 0.535 nan 8.150 nan 0.000 0.443 791 G N -2.114 106.489 108.800 -0.328 0.000 2.656 791 G HA2 0.184 4.145 3.960 0.001 0.000 0.211 791 G HA3 0.184 4.145 3.960 0.001 0.000 0.211 791 G C 1.350 176.188 174.900 -0.102 0.000 1.137 791 G CA 0.977 45.960 45.100 -0.195 0.000 0.802 791 G HN 0.453 nan 8.290 nan 0.000 0.527 792 S N 0.091 115.733 115.700 -0.096 0.000 2.539 792 S HA 0.151 4.621 4.470 0.001 0.000 0.221 792 S C 0.712 175.274 174.600 -0.064 0.000 0.987 792 S CA -0.333 57.836 58.200 -0.051 0.000 0.929 792 S CB 0.261 63.445 63.200 -0.026 0.000 0.832 792 S HN 0.274 nan 8.310 nan 0.000 0.492 793 N N 1.893 120.511 118.700 -0.136 0.000 2.757 793 N HA 0.243 4.984 4.740 0.001 0.000 0.296 793 N C -2.217 173.192 175.510 -0.168 0.000 1.874 793 N CA -1.978 50.978 53.050 -0.157 0.000 0.885 793 N CB 0.894 39.252 38.487 -0.216 0.000 1.242 793 N HN 0.042 nan 8.380 nan 0.000 0.488 794 P HA -0.134 nan 4.420 nan 0.000 0.218 794 P C 1.105 178.502 177.300 0.162 0.000 1.148 794 P CA 0.872 64.080 63.100 0.180 0.000 0.822 794 P CB 0.366 32.243 31.700 0.295 0.000 0.784 795 A N 0.603 123.452 122.820 0.050 0.000 1.902 795 A HA -0.063 4.257 4.320 0.001 0.000 0.217 795 A C 2.485 180.052 177.584 -0.028 0.000 1.181 795 A CA 2.289 54.339 52.037 0.021 0.000 0.623 795 A CB -1.423 17.571 19.000 -0.009 0.000 0.818 795 A HN 0.269 nan 8.150 nan 0.000 0.443 796 A N -1.649 121.111 122.820 -0.100 0.000 1.935 796 A HA 0.157 4.477 4.320 0.001 0.000 0.214 796 A C 1.971 179.420 177.584 -0.226 0.000 1.178 796 A CA 1.224 53.191 52.037 -0.115 0.000 0.640 796 A CB -0.627 18.344 19.000 -0.048 0.000 0.825 796 A HN 0.623 nan 8.150 nan 0.000 0.447 797 F N 0.737 120.307 119.950 -0.634 0.000 2.161 797 F HA -0.157 4.371 4.527 0.001 0.000 0.300 797 F C 1.664 177.093 175.800 -0.618 0.000 1.089 797 F CA 1.581 59.176 58.000 -0.674 0.000 1.282 797 F CB -0.215 38.369 39.000 -0.694 0.000 1.010 797 F HN 0.363 nan 8.300 nan 0.000 0.485 798 H N 0.563 119.389 119.070 -0.407 0.000 2.605 798 H HA 0.438 4.994 4.556 0.001 0.000 0.308 798 H C 0.646 175.764 175.328 -0.350 0.000 1.080 798 H CA 0.231 55.999 56.048 -0.466 0.000 1.119 798 H CB -0.912 28.712 29.762 -0.229 0.000 1.479 798 H HN 0.184 nan 8.280 nan 0.000 0.537 799 A N 0.931 123.572 122.820 -0.298 0.000 2.565 799 A HA -0.050 4.270 4.320 0.001 0.000 0.237 799 A C 1.412 178.893 177.584 -0.173 0.000 1.053 799 A CA -0.084 51.849 52.037 -0.175 0.000 0.755 799 A CB 0.367 19.276 19.000 -0.152 0.000 0.980 799 A HN 0.502 nan 8.150 nan 0.000 0.506 800 E N 1.039 121.195 120.200 -0.074 0.000 2.219 800 E HA -0.248 4.102 4.350 0.001 0.000 0.198 800 E C 0.859 177.435 176.600 -0.040 0.000 0.998 800 E CA 1.512 57.892 56.400 -0.033 0.000 0.818 800 E CB -0.078 29.618 29.700 -0.006 0.000 0.741 800 E HN 0.929 nan 8.360 nan 0.000 0.477 801 D N -0.706 119.655 120.400 -0.066 0.000 2.363 801 D HA -0.025 4.616 4.640 0.001 0.000 0.220 801 D C 1.332 177.592 176.300 -0.068 0.000 0.994 801 D CA 0.845 54.814 54.000 -0.050 0.000 0.890 801 D CB -0.131 40.641 40.800 -0.046 0.000 0.906 801 D HN 0.208 nan 8.370 nan 0.000 0.530 802 G N 0.117 108.819 108.800 -0.164 0.000 2.162 802 G HA2 -0.378 3.583 3.960 0.001 0.000 0.260 802 G HA3 -0.378 3.583 3.960 0.001 0.000 0.260 802 G C 1.233 175.983 174.900 -0.251 0.000 0.976 802 G CA 1.036 46.001 45.100 -0.226 0.000 0.655 802 G HN 0.653 nan 8.290 nan 0.000 0.533 803 S N -0.419 115.162 115.700 -0.199 0.000 2.399 803 S HA 0.067 4.538 4.470 0.001 0.000 0.231 803 S C 2.484 177.041 174.600 -0.071 0.000 1.022 803 S CA 1.669 59.809 58.200 -0.099 0.000 0.983 803 S CB -0.699 62.455 63.200 -0.076 0.000 0.803 803 S HN 1.549 nan 8.310 nan 0.000 0.480 804 G N 0.568 109.224 108.800 -0.239 0.000 2.402 804 G HA2 -0.100 3.860 3.960 0.001 0.000 0.216 804 G HA3 -0.100 3.860 3.960 0.001 0.000 0.216 804 G C 1.189 176.093 174.900 0.008 0.000 1.162 804 G CA 0.876 45.952 45.100 -0.041 0.000 0.777 804 G HN 0.601 nan 8.290 nan 0.000 0.539 805 Y N 0.782 120.975 120.300 -0.178 0.000 2.200 805 Y HA 0.083 4.634 4.550 0.001 0.000 0.290 805 Y C 2.753 178.690 175.900 0.062 0.000 1.137 805 Y CA 0.157 58.199 58.100 -0.097 0.000 1.163 805 Y CB -0.890 37.458 38.460 -0.188 0.000 0.988 805 Y HN 0.072 nan 8.280 nan 0.000 0.518 806 L N -1.599 119.732 121.223 0.180 0.000 2.083 806 L HA -0.221 4.120 4.340 0.001 0.000 0.209 806 L C 2.343 179.314 176.870 0.169 0.000 1.083 806 L CA 1.454 56.381 54.840 0.144 0.000 0.752 806 L CB -0.708 41.411 42.059 0.100 0.000 0.899 806 L HN 0.178 nan 8.230 nan 0.000 0.433 807 F N 0.816 120.802 119.950 0.059 0.000 2.102 807 F HA -0.243 4.285 4.527 0.001 0.000 0.298 807 F C 2.231 178.083 175.800 0.087 0.000 1.105 807 F CA 1.449 59.471 58.000 0.036 0.000 1.239 807 F CB -0.337 38.653 39.000 -0.016 0.000 0.991 807 F HN -0.091 nan 8.300 nan 0.000 0.474 808 L N -0.042 121.220 121.223 0.065 0.000 2.083 808 L HA -0.135 4.206 4.340 0.001 0.000 0.209 808 L C 2.250 179.084 176.870 -0.059 0.000 1.083 808 L CA 1.482 56.303 54.840 -0.030 0.000 0.752 808 L CB -0.950 41.281 42.059 0.287 0.000 0.899 808 L HN 0.074 nan 8.230 nan 0.000 0.433 809 V N -0.346 119.583 119.914 0.025 0.000 2.343 809 V HA -0.308 3.812 4.120 0.001 0.000 0.247 809 V C 2.581 178.650 176.094 -0.041 0.000 1.051 809 V CA 2.003 64.309 62.300 0.012 0.000 1.036 809 V CB -0.593 31.259 31.823 0.047 0.000 0.654 809 V HN 0.584 nan 8.190 nan 0.000 0.451 810 E N -0.447 119.709 120.200 -0.074 0.000 2.051 810 E HA -0.239 4.111 4.350 0.001 0.000 0.192 810 E C 2.318 178.836 176.600 -0.137 0.000 0.991 810 E CA 1.463 57.812 56.400 -0.085 0.000 0.799 810 E CB -0.048 29.611 29.700 -0.069 0.000 0.748 810 E HN 0.373 nan 8.360 nan 0.000 0.449 811 M N 0.299 119.737 119.600 -0.269 0.000 2.117 811 M HA -0.127 4.353 4.480 0.001 0.000 0.262 811 M C 2.405 178.630 176.300 -0.125 0.000 1.065 811 M CA 1.187 56.342 55.300 -0.243 0.000 1.114 811 M CB -0.864 31.495 32.600 -0.402 0.000 1.361 811 M HN 0.218 nan 8.290 nan 0.000 0.408 812 L N -0.692 120.469 121.223 -0.103 0.000 2.201 812 L HA -0.142 4.198 4.340 0.001 0.000 0.212 812 L C 2.323 179.172 176.870 -0.035 0.000 1.105 812 L CA 0.884 55.691 54.840 -0.055 0.000 0.775 812 L CB -0.894 41.145 42.059 -0.033 0.000 0.913 812 L HN 0.304 nan 8.230 nan 0.000 0.440 813 T N -1.093 113.441 114.554 -0.034 0.000 2.867 813 T HA -0.199 4.152 4.350 0.001 0.000 0.268 813 T C 1.591 176.281 174.700 -0.017 0.000 1.057 813 T CA 1.513 63.603 62.100 -0.017 0.000 1.136 813 T CB -0.144 68.717 68.868 -0.012 0.000 0.874 813 T HN 0.403 nan 8.240 nan 0.000 0.466 814 D N 1.222 121.607 120.400 -0.026 0.000 2.106 814 D HA -0.017 4.623 4.640 0.001 0.000 0.203 814 D C 2.142 178.430 176.300 -0.021 0.000 0.977 814 D CA 0.836 54.826 54.000 -0.018 0.000 0.844 814 D CB -0.249 40.542 40.800 -0.015 0.000 1.002 814 D HN 0.308 nan 8.370 nan 0.000 0.461 815 L N 0.717 121.923 121.223 -0.029 0.000 2.191 815 L HA -0.154 4.187 4.340 0.001 0.000 0.212 815 L C 2.352 179.202 176.870 -0.032 0.000 1.103 815 L CA 0.966 55.787 54.840 -0.033 0.000 0.769 815 L CB -0.679 41.356 42.059 -0.039 0.000 0.908 815 L HN 0.127 nan 8.230 nan 0.000 0.438 816 N N -0.213 118.473 118.700 -0.024 0.000 2.149 816 N HA -0.186 4.554 4.740 0.001 0.000 0.188 816 N C 1.789 177.289 175.510 -0.017 0.000 1.019 816 N CA 1.879 54.919 53.050 -0.016 0.000 0.857 816 N CB 0.065 38.550 38.487 -0.003 0.000 0.997 816 N HN 0.129 nan 8.380 nan 0.000 0.426 817 S N -0.743 114.947 115.700 -0.016 0.000 2.421 817 S HA 0.097 4.567 4.470 0.001 0.000 0.224 817 S C 1.756 176.341 174.600 -0.026 0.000 1.035 817 S CA 0.069 58.260 58.200 -0.016 0.000 0.953 817 S CB -0.031 63.163 63.200 -0.009 0.000 0.810 817 S HN 0.354 nan 8.310 nan 0.000 0.497 818 R N 1.400 121.882 120.500 -0.030 0.000 2.057 818 R HA 0.072 4.412 4.340 0.001 0.000 0.229 818 R C -0.030 176.233 176.300 -0.062 0.000 1.136 818 R CA 1.183 57.258 56.100 -0.041 0.000 0.952 818 R CB 0.110 30.390 30.300 -0.034 0.000 0.848 818 R HN 0.216 nan 8.270 nan 0.000 0.430 819 N N -0.575 118.086 118.700 -0.065 0.000 2.685 819 N HA 0.179 4.920 4.740 0.001 0.000 0.252 819 N C -2.481 172.980 175.510 -0.083 0.000 1.261 819 N CA -1.600 51.395 53.050 -0.092 0.000 0.768 819 N CB 1.829 40.259 38.487 -0.095 0.000 1.304 819 N HN -0.127 nan 8.380 nan 0.000 0.536 820 P HA -0.139 nan 4.420 nan 0.000 0.216 820 P C 1.090 178.343 177.300 -0.079 0.000 1.150 820 P CA 1.416 64.478 63.100 -0.064 0.000 0.843 820 P CB 0.527 32.195 31.700 -0.053 0.000 0.787 821 Q N -0.947 118.786 119.800 -0.112 0.000 2.084 821 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 821 Q C 2.188 178.122 176.000 -0.110 0.000 0.978 821 Q CA 1.187 56.914 55.803 -0.127 0.000 0.844 821 Q CB -0.962 27.667 28.738 -0.181 0.000 0.898 821 Q HN 0.116 nan 8.270 nan 0.000 0.426 822 V N 0.526 120.377 119.914 -0.104 0.000 2.548 822 V HA -0.177 3.944 4.120 0.001 0.000 0.249 822 V C 2.010 178.064 176.094 -0.066 0.000 1.055 822 V CA 1.684 63.934 62.300 -0.083 0.000 1.065 822 V CB -0.422 31.358 31.823 -0.072 0.000 0.681 822 V HN 0.397 nan 8.190 nan 0.000 0.462 823 A N -0.945 121.838 122.820 -0.062 0.000 1.902 823 A HA -0.209 4.111 4.320 0.001 0.000 0.217 823 A C 2.544 180.099 177.584 -0.049 0.000 1.181 823 A CA 2.248 54.255 52.037 -0.050 0.000 0.623 823 A CB -0.977 17.998 19.000 -0.041 0.000 0.818 823 A HN 0.562 nan 8.150 nan 0.000 0.443 824 S N -1.014 114.654 115.700 -0.055 0.000 2.402 824 S HA -0.145 4.325 4.470 0.001 0.000 0.229 824 S C 2.197 176.760 174.600 -0.063 0.000 1.021 824 S CA 1.053 59.220 58.200 -0.056 0.000 0.974 824 S CB -0.347 62.814 63.200 -0.064 0.000 0.800 824 S HN 0.525 nan 8.310 nan 0.000 0.484 825 R N 0.476 120.936 120.500 -0.068 0.000 2.075 825 R HA 0.078 4.419 4.340 0.001 0.000 0.232 825 R C 2.003 178.266 176.300 -0.062 0.000 1.126 825 R CA 0.807 56.867 56.100 -0.065 0.000 0.963 825 R CB -1.232 29.027 30.300 -0.067 0.000 0.858 825 R HN 0.373 nan 8.270 nan 0.000 0.435 826 L N 0.609 121.796 121.223 -0.061 0.000 2.291 826 L HA 0.034 4.374 4.340 0.001 0.000 0.214 826 L C 2.199 179.026 176.870 -0.072 0.000 1.120 826 L CA 0.946 55.745 54.840 -0.069 0.000 0.799 826 L CB -0.393 41.630 42.059 -0.060 0.000 0.925 826 L HN 0.098 nan 8.230 nan 0.000 0.446 827 I N -1.153 119.388 120.570 -0.049 0.000 3.059 827 I HA -0.126 4.045 4.170 0.001 0.000 0.270 827 I C 2.037 178.143 176.117 -0.019 0.000 1.238 827 I CA 0.333 61.618 61.300 -0.025 0.000 1.478 827 I CB 0.046 38.038 38.000 -0.013 0.000 1.097 827 I HN 0.232 nan 8.210 nan 0.000 0.455 828 E N 1.223 121.402 120.200 -0.034 0.000 2.086 828 E HA -0.240 4.111 4.350 0.001 0.000 0.200 828 E C -0.438 176.170 176.600 0.014 0.000 1.012 828 E CA 1.725 58.117 56.400 -0.013 0.000 0.812 828 E CB -1.792 27.895 29.700 -0.021 0.000 0.743 828 E HN 0.467 nan 8.360 nan 0.000 0.453 829 P HA -0.125 nan 4.420 nan 0.000 0.218 829 P C 1.549 178.965 177.300 0.194 0.000 1.148 829 P CA 0.743 63.839 63.100 -0.006 0.000 0.822 829 P CB -0.002 31.450 31.700 -0.415 0.000 0.784 830 L N -0.188 121.133 121.223 0.164 0.000 2.240 830 L HA -0.010 4.330 4.340 0.001 0.000 0.211 830 L C 1.846 178.780 176.870 0.107 0.000 1.106 830 L CA 1.293 56.247 54.840 0.190 0.000 0.793 830 L CB -1.047 41.104 42.059 0.154 0.000 0.927 830 L HN -0.040 nan 8.230 nan 0.000 0.446 831 I N -4.061 116.564 120.570 0.091 0.000 3.564 831 I HA 0.031 4.202 4.170 0.001 0.000 0.294 831 I C 1.234 177.417 176.117 0.110 0.000 1.289 831 I CA 0.339 61.682 61.300 0.073 0.000 1.325 831 I CB -0.359 37.666 38.000 0.042 0.000 1.039 831 I HN 0.003 nan 8.210 nan 0.000 0.474 832 R N 1.566 122.174 120.500 0.180 0.000 2.356 832 R HA 0.175 4.516 4.340 0.001 0.000 0.234 832 R C 1.900 178.393 176.300 0.321 0.000 0.929 832 R CA 0.224 56.470 56.100 0.243 0.000 1.084 832 R CB -0.437 30.065 30.300 0.337 0.000 1.105 832 R HN 0.525 nan 8.270 nan 0.000 0.515 833 L N -0.500 120.862 121.223 0.230 0.000 2.089 833 L HA -0.164 4.177 4.340 0.001 0.000 0.213 833 L C 1.569 178.568 176.870 0.216 0.000 1.079 833 L CA 1.803 56.772 54.840 0.214 0.000 0.758 833 L CB -0.701 41.389 42.059 0.051 0.000 0.891 833 L HN -0.118 nan 8.230 nan 0.000 0.433 834 K N -0.376 120.103 120.400 0.131 0.000 2.515 834 K HA 0.001 4.322 4.320 0.001 0.000 0.196 834 K C 1.710 178.333 176.600 0.039 0.000 1.038 834 K CA 0.422 56.755 56.287 0.078 0.000 0.967 834 K CB -0.090 32.441 32.500 0.052 0.000 0.780 834 K HN 0.312 nan 8.250 nan 0.000 0.483 835 R N -0.149 120.361 120.500 0.016 0.000 2.310 835 R HA 0.087 4.427 4.340 0.001 0.000 0.202 835 R C 0.100 176.124 176.300 -0.460 0.000 0.933 835 R CA 0.475 56.451 56.100 -0.207 0.000 1.054 835 R CB 0.031 30.155 30.300 -0.294 0.000 0.985 835 R HN 0.157 nan 8.270 nan 0.000 0.489 836 Y N 0.278 120.560 120.300 -0.029 0.000 2.631 836 Y HA 0.131 4.682 4.550 0.001 0.000 0.328 836 Y C 0.588 176.468 175.900 -0.032 0.000 1.118 836 Y CA -1.793 56.270 58.100 -0.062 0.000 1.206 836 Y CB 0.621 39.018 38.460 -0.106 0.000 1.337 836 Y HN 0.043 nan 8.280 nan 0.000 0.515 837 D N -0.156 120.324 120.400 0.134 0.000 2.362 837 D HA 0.241 4.881 4.640 0.001 0.000 0.238 837 D C 0.962 177.307 176.300 0.075 0.000 1.212 837 D CA 0.211 54.256 54.000 0.074 0.000 0.902 837 D CB 0.858 41.694 40.800 0.061 0.000 1.180 837 D HN 0.649 nan 8.370 nan 0.000 0.445 838 A N 1.171 124.021 122.820 0.049 0.000 1.892 838 A HA -0.318 4.002 4.320 0.001 0.000 0.218 838 A C 2.032 179.640 177.584 0.040 0.000 1.188 838 A CA 2.163 54.224 52.037 0.040 0.000 0.631 838 A CB -0.939 18.079 19.000 0.029 0.000 0.822 838 A HN 0.742 nan 8.150 nan 0.000 0.447 839 K N -0.662 119.765 120.400 0.045 0.000 2.063 839 K HA -0.163 4.158 4.320 0.001 0.000 0.208 839 K C 2.327 178.963 176.600 0.059 0.000 1.048 839 K CA 1.522 57.837 56.287 0.047 0.000 0.928 839 K CB -0.179 32.349 32.500 0.048 0.000 0.713 839 K HN 0.468 nan 8.250 nan 0.000 0.442 840 R N 0.230 120.778 120.500 0.079 0.000 2.092 840 R HA -0.099 4.242 4.340 0.001 0.000 0.231 840 R C 2.518 178.807 176.300 -0.019 0.000 1.119 840 R CA 1.487 57.641 56.100 0.090 0.000 0.970 840 R CB -0.154 30.223 30.300 0.129 0.000 0.864 840 R HN 0.373 nan 8.270 nan 0.000 0.440 841 Q N 0.361 120.171 119.800 0.016 0.000 2.096 841 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 841 Q C 2.037 178.011 176.000 -0.042 0.000 0.982 841 Q CA 1.516 57.313 55.803 -0.010 0.000 0.850 841 Q CB -0.031 28.724 28.738 0.029 0.000 0.901 841 Q HN 0.408 nan 8.270 nan 0.000 0.422 842 E N 1.011 121.202 120.200 -0.015 0.000 2.058 842 E HA -0.216 4.134 4.350 0.001 0.000 0.194 842 E C 1.721 178.301 176.600 -0.033 0.000 0.997 842 E CA 1.158 57.550 56.400 -0.013 0.000 0.801 842 E CB 0.168 29.873 29.700 0.009 0.000 0.746 842 E HN 0.204 nan 8.360 nan 0.000 0.450 843 K N -0.244 120.135 120.400 -0.036 0.000 2.097 843 K HA -0.098 4.222 4.320 0.001 0.000 0.205 843 K C 2.247 178.728 176.600 -0.198 0.000 1.050 843 K CA 1.530 57.797 56.287 -0.033 0.000 0.938 843 K CB -0.099 32.474 32.500 0.122 0.000 0.718 843 K HN 0.237 nan 8.250 nan 0.000 0.442 844 M N 0.158 119.513 119.600 -0.409 0.000 2.175 844 M HA -0.112 4.369 4.480 0.001 0.000 0.264 844 M C 2.160 178.340 176.300 -0.200 0.000 1.063 844 M CA 1.454 56.457 55.300 -0.495 0.000 1.119 844 M CB -0.156 32.128 32.600 -0.527 0.000 1.377 844 M HN 0.059 nan 8.290 nan 0.000 0.415 845 R N 0.214 120.642 120.500 -0.120 0.000 2.081 845 R HA -0.074 4.267 4.340 0.001 0.000 0.235 845 R C 2.362 178.639 176.300 -0.038 0.000 1.131 845 R CA 1.483 57.549 56.100 -0.056 0.000 0.960 845 R CB -0.492 29.790 30.300 -0.030 0.000 0.856 845 R HN 0.374 nan 8.270 nan 0.000 0.436 846 A N 1.179 123.977 122.820 -0.037 0.000 1.902 846 A HA -0.133 4.188 4.320 0.001 0.000 0.217 846 A C 2.352 179.934 177.584 -0.004 0.000 1.181 846 A CA 1.735 53.766 52.037 -0.010 0.000 0.623 846 A CB -0.563 18.439 19.000 0.002 0.000 0.818 846 A HN 0.406 nan 8.150 nan 0.000 0.443 847 A N -0.312 122.496 122.820 -0.019 0.000 1.902 847 A HA -0.031 4.289 4.320 0.001 0.000 0.217 847 A C 2.167 179.755 177.584 0.007 0.000 1.181 847 A CA 1.495 53.536 52.037 0.006 0.000 0.623 847 A CB -0.595 18.408 19.000 0.006 0.000 0.818 847 A HN 0.468 nan 8.150 nan 0.000 0.443 848 L N -0.624 120.592 121.223 -0.012 0.000 2.093 848 L HA -0.152 4.188 4.340 0.001 0.000 0.208 848 L C 2.588 179.463 176.870 0.009 0.000 1.085 848 L CA 1.132 55.972 54.840 -0.001 0.000 0.755 848 L CB -0.466 41.586 42.059 -0.012 0.000 0.904 848 L HN 0.351 nan 8.230 nan 0.000 0.435 849 E N -0.162 120.042 120.200 0.007 0.000 2.150 849 E HA -0.266 4.084 4.350 0.001 0.000 0.193 849 E C 2.041 178.656 176.600 0.024 0.000 0.985 849 E CA 1.001 57.411 56.400 0.017 0.000 0.814 849 E CB -0.056 29.653 29.700 0.014 0.000 0.752 849 E HN 0.547 nan 8.360 nan 0.000 0.466 850 Q N 0.463 120.276 119.800 0.022 0.000 2.079 850 Q HA -0.100 4.240 4.340 0.001 0.000 0.200 850 Q C 2.344 178.361 176.000 0.028 0.000 0.974 850 Q CA 0.845 56.663 55.803 0.025 0.000 0.840 850 Q CB 0.019 28.773 28.738 0.026 0.000 0.898 850 Q HN 0.233 nan 8.270 nan 0.000 0.430 851 L N 0.571 121.811 121.223 0.028 0.000 2.093 851 L HA -0.158 4.182 4.340 0.001 0.000 0.208 851 L C 2.619 179.516 176.870 0.044 0.000 1.085 851 L CA 1.227 56.085 54.840 0.031 0.000 0.755 851 L CB -0.429 41.646 42.059 0.027 0.000 0.904 851 L HN 0.217 nan 8.230 nan 0.000 0.435 852 K N 0.560 120.988 120.400 0.047 0.000 2.152 852 K HA -0.149 4.172 4.320 0.001 0.000 0.206 852 K C 1.714 178.359 176.600 0.074 0.000 1.048 852 K CA 1.394 57.725 56.287 0.072 0.000 0.933 852 K CB -0.174 32.362 32.500 0.060 0.000 0.721 852 K HN 0.349 nan 8.250 nan 0.000 0.447 853 G N 0.888 109.719 108.800 0.052 0.000 3.088 853 G HA2 0.110 4.071 3.960 0.001 0.000 0.212 853 G HA3 0.110 4.071 3.960 0.001 0.000 0.212 853 G C 0.297 175.219 174.900 0.037 0.000 1.173 853 G CA -0.400 44.726 45.100 0.044 0.000 0.779 853 G HN 0.084 nan 8.290 nan 0.000 0.540 854 L N 0.943 122.189 121.223 0.038 0.000 2.485 854 L HA 0.141 4.481 4.340 0.001 0.000 0.275 854 L C 0.881 177.766 176.870 0.025 0.000 1.207 854 L CA -0.230 54.627 54.840 0.029 0.000 0.855 854 L CB 0.808 42.883 42.059 0.028 0.000 1.114 854 L HN 0.238 nan 8.230 nan 0.000 0.485 855 E N 3.496 123.707 120.200 0.018 0.000 2.373 855 E HA -0.011 4.339 4.350 0.001 0.000 0.267 855 E C -0.098 176.508 176.600 0.010 0.000 1.032 855 E CA -0.136 56.272 56.400 0.013 0.000 0.889 855 E CB 0.254 29.961 29.700 0.011 0.000 0.984 855 E HN 0.639 nan 8.360 nan 0.000 0.425 856 N N 1.710 120.413 118.700 0.006 0.000 2.738 856 N HA -0.238 4.502 4.740 0.001 0.000 0.249 856 N C -0.721 174.793 175.510 0.007 0.000 1.047 856 N CA -0.104 52.948 53.050 0.002 0.000 0.707 856 N CB -0.917 37.572 38.487 0.003 0.000 0.937 856 N HN 0.334 nan 8.380 nan 0.000 0.545 857 L N 1.523 122.754 121.223 0.013 0.000 2.462 857 L HA 0.154 4.495 4.340 0.001 0.000 0.272 857 L C 0.810 177.697 176.870 0.029 0.000 1.166 857 L CA 0.092 54.952 54.840 0.034 0.000 0.880 857 L CB 0.767 42.865 42.059 0.066 0.000 1.142 857 L HN 0.254 nan 8.230 nan 0.000 0.473 858 S N 2.874 118.596 115.700 0.037 0.000 2.579 858 S HA 0.315 4.786 4.470 0.001 0.000 0.275 858 S C 1.311 175.955 174.600 0.074 0.000 1.345 858 S CA -0.241 57.980 58.200 0.034 0.000 1.031 858 S CB 1.096 64.307 63.200 0.018 0.000 0.892 858 S HN 0.888 nan 8.310 nan 0.000 0.529 859 G N 1.163 110.001 108.800 0.064 0.000 2.432 859 G HA2 -0.153 3.807 3.960 0.001 0.000 0.219 859 G HA3 -0.153 3.807 3.960 0.001 0.000 0.219 859 G C 0.706 175.689 174.900 0.138 0.000 1.135 859 G CA 0.858 46.028 45.100 0.117 0.000 0.767 859 G HN 0.790 nan 8.290 nan 0.000 0.550 860 D N 0.577 121.020 120.400 0.070 0.000 2.092 860 D HA -0.115 4.526 4.640 0.001 0.000 0.193 860 D C 2.473 178.796 176.300 0.038 0.000 0.994 860 D CA 0.771 54.793 54.000 0.035 0.000 0.828 860 D CB -0.224 40.571 40.800 -0.008 0.000 0.963 860 D HN 0.303 nan 8.370 nan 0.000 0.450 861 L N -0.740 120.515 121.223 0.052 0.000 2.131 861 L HA -0.091 4.250 4.340 0.001 0.000 0.206 861 L C 2.258 179.172 176.870 0.074 0.000 1.087 861 L CA 0.593 55.460 54.840 0.045 0.000 0.767 861 L CB -0.431 41.652 42.059 0.041 0.000 0.917 861 L HN 0.114 nan 8.230 nan 0.000 0.441 862 Y N 1.500 121.805 120.300 0.009 0.000 2.114 862 Y HA -0.353 4.198 4.550 0.001 0.000 0.282 862 Y C 2.606 178.522 175.900 0.026 0.000 1.165 862 Y CA 2.198 60.309 58.100 0.020 0.000 1.148 862 Y CB -0.212 38.263 38.460 0.025 0.000 0.972 862 Y HN 0.231 nan 8.280 nan 0.000 0.504 863 E N 0.073 120.272 120.200 -0.003 0.000 2.058 863 E HA -0.243 4.108 4.350 0.001 0.000 0.194 863 E C 2.071 178.600 176.600 -0.118 0.000 0.997 863 E CA 1.835 58.189 56.400 -0.077 0.000 0.801 863 E CB -0.106 29.634 29.700 0.067 0.000 0.746 863 E HN 0.526 nan 8.360 nan 0.000 0.450 864 K N 0.023 120.376 120.400 -0.077 0.000 2.103 864 K HA -0.050 4.270 4.320 0.001 0.000 0.204 864 K C 2.259 178.815 176.600 -0.073 0.000 1.052 864 K CA 1.148 57.394 56.287 -0.068 0.000 0.945 864 K CB -0.059 32.409 32.500 -0.052 0.000 0.722 864 K HN 0.233 nan 8.250 nan 0.000 0.443 865 I N 1.581 122.099 120.570 -0.087 0.000 2.226 865 I HA -0.288 3.883 4.170 0.001 0.000 0.245 865 I C 2.682 178.728 176.117 -0.118 0.000 1.100 865 I CA 1.665 62.919 61.300 -0.077 0.000 1.374 865 I CB -0.784 37.187 38.000 -0.047 0.000 1.057 865 I HN 0.338 nan 8.210 nan 0.000 0.413 866 T N -0.855 113.553 114.554 -0.243 0.000 2.684 866 T HA -0.215 4.135 4.350 0.001 0.000 0.267 866 T C 1.844 176.474 174.700 -0.118 0.000 1.036 866 T CA 1.202 63.155 62.100 -0.244 0.000 1.148 866 T CB -0.410 68.179 68.868 -0.466 0.000 0.863 866 T HN 0.296 nan 8.240 nan 0.000 0.436 867 K N 1.524 121.867 120.400 -0.094 0.000 2.097 867 K HA 0.175 4.495 4.320 0.001 0.000 0.206 867 K C 2.801 179.395 176.600 -0.010 0.000 1.049 867 K CA 1.136 57.406 56.287 -0.028 0.000 0.933 867 K CB -0.440 32.057 32.500 -0.004 0.000 0.717 867 K HN 0.467 nan 8.250 nan 0.000 0.442 868 A N 1.051 123.861 122.820 -0.017 0.000 1.969 868 A HA -0.064 4.257 4.320 0.001 0.000 0.218 868 A C 1.896 179.480 177.584 0.000 0.000 1.169 868 A CA 1.105 53.143 52.037 0.001 0.000 0.635 868 A CB -0.332 18.669 19.000 0.002 0.000 0.810 868 A HN 0.169 nan 8.150 nan 0.000 0.445 869 L N -0.813 120.402 121.223 -0.013 0.000 2.592 869 L HA 0.218 4.558 4.340 0.001 0.000 0.227 869 L C 1.527 178.397 176.870 0.001 0.000 1.127 869 L CA -0.071 54.765 54.840 -0.007 0.000 0.884 869 L CB -0.369 41.683 42.059 -0.012 0.000 1.065 869 L HN 0.404 nan 8.230 nan 0.000 0.457 870 A N 0.000 122.821 122.820 0.002 0.000 2.254 870 A HA 0.000 4.321 4.320 0.001 0.000 0.244 870 A CA 0.000 52.044 52.037 0.012 0.000 0.836 870 A CB 0.000 19.009 19.000 0.016 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486