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 3cv5_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIAPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHS 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.008 176.000 0.014 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 31 c N 3.356 121.961 118.600 0.007 0.000 2.637 31 c HA 0.514 5.083 4.570 -0.001 0.000 0.418 31 c C 0.766 174.866 174.090 0.018 0.000 1.319 31 c CA -0.329 56.005 56.329 0.008 0.000 1.949 31 c CB 0.180 42.681 42.510 -0.014 0.000 2.639 31 c HN 0.708 nan 8.230 nan 0.000 0.594 32 Q N 1.822 121.648 119.800 0.043 0.000 2.361 32 Q HA 0.030 4.370 4.340 -0.001 0.000 0.276 32 Q C 0.044 176.072 176.000 0.045 0.000 1.022 32 Q CA 0.418 56.262 55.803 0.067 0.000 0.898 32 Q CB 0.516 29.331 28.738 0.128 0.000 1.246 32 Q HN 0.629 nan 8.270 nan 0.000 0.410 33 D N 1.961 122.388 120.400 0.046 0.000 2.325 33 D HA 0.045 4.685 4.640 -0.001 0.000 0.251 33 D C 0.556 176.897 176.300 0.069 0.000 1.196 33 D CA -0.160 53.849 54.000 0.016 0.000 0.866 33 D CB 1.195 42.004 40.800 0.016 0.000 1.101 33 D HN 0.394 nan 8.370 nan 0.000 0.476 34 V N 2.263 122.172 119.914 -0.008 0.000 3.649 34 V HA 0.060 4.179 4.120 -0.001 0.000 0.275 34 V C 1.164 177.285 176.094 0.046 0.000 1.281 34 V CA 0.189 62.540 62.300 0.084 0.000 1.143 34 V CB 0.184 31.901 31.823 -0.176 0.000 0.892 34 V HN 0.381 nan 8.190 nan 0.000 0.441 35 V N 0.018 119.876 119.914 -0.093 0.000 2.908 35 V HA 0.097 4.217 4.120 -0.001 0.000 0.240 35 V C 2.299 178.364 176.094 -0.048 0.000 1.117 35 V CA 1.286 63.489 62.300 -0.162 0.000 1.133 35 V CB -0.004 31.677 31.823 -0.237 0.000 0.857 35 V HN 0.488 nan 8.190 nan 0.000 0.478 36 Q N -0.393 119.431 119.800 0.039 0.000 2.352 36 Q HA 0.138 4.478 4.340 -0.001 0.000 0.212 36 Q C -0.513 175.568 176.000 0.135 0.000 0.888 36 Q CA 0.246 56.091 55.803 0.071 0.000 0.934 36 Q CB 0.687 29.441 28.738 0.026 0.000 1.093 36 Q HN 0.491 nan 8.270 nan 0.000 0.523 37 D N 1.094 121.607 120.400 0.188 0.000 2.440 37 D HA 0.188 4.827 4.640 -0.001 0.000 0.239 37 D C -0.768 175.649 176.300 0.196 0.000 1.084 37 D CA -0.287 53.809 54.000 0.160 0.000 0.843 37 D CB 2.235 43.107 40.800 0.120 0.000 1.097 37 D HN -0.179 nan 8.370 nan 0.000 0.531 38 V N 4.527 124.518 119.914 0.129 0.000 2.439 38 V HA 0.167 4.287 4.120 -0.001 0.000 0.271 38 V C -1.950 174.121 176.094 -0.039 0.000 1.040 38 V CA -1.293 61.002 62.300 -0.008 0.000 1.002 38 V CB 0.669 32.492 31.823 -0.001 0.000 1.000 38 V HN 0.296 nan 8.190 nan 0.000 0.477 39 P HA 0.089 nan 4.420 nan 0.000 0.268 39 P C -0.442 176.829 177.300 -0.049 0.000 1.205 39 P CA -0.051 63.017 63.100 -0.052 0.000 0.771 39 P CB 0.361 32.012 31.700 -0.081 0.000 0.858 40 N N 2.088 120.776 118.700 -0.022 0.000 2.439 40 N HA 0.269 5.009 4.740 -0.001 0.000 0.249 40 N C -0.504 174.997 175.510 -0.015 0.000 1.003 40 N CA -0.167 52.873 53.050 -0.017 0.000 0.942 40 N CB 0.879 39.365 38.487 -0.002 0.000 1.115 40 N HN 0.153 nan 8.380 nan 0.000 0.505 41 V N -0.814 119.084 119.914 -0.027 0.000 2.914 41 V HA 0.445 4.564 4.120 -0.001 0.000 0.314 41 V C 0.715 176.795 176.094 -0.024 0.000 1.084 41 V CA -0.817 61.470 62.300 -0.021 0.000 0.963 41 V CB 2.341 34.140 31.823 -0.040 0.000 1.025 41 V HN 0.302 nan 8.190 nan 0.000 0.432 42 D N 1.143 121.536 120.400 -0.011 0.000 2.144 42 D HA 0.009 4.648 4.640 -0.001 0.000 0.200 42 D C 0.535 176.806 176.300 -0.049 0.000 0.978 42 D CA 1.646 55.637 54.000 -0.015 0.000 0.833 42 D CB 0.371 41.179 40.800 0.013 0.000 0.961 42 D HN 0.433 nan 8.370 nan 0.000 0.470 43 V N 1.412 121.275 119.914 -0.084 0.000 2.525 43 V HA 0.217 4.337 4.120 -0.001 0.000 0.299 43 V C -0.379 175.620 176.094 -0.158 0.000 1.034 43 V CA -0.769 61.452 62.300 -0.133 0.000 0.863 43 V CB 2.412 34.112 31.823 -0.205 0.000 0.999 43 V HN -0.081 nan 8.190 nan 0.000 0.423 44 Q N 4.518 124.235 119.800 -0.137 0.000 2.333 44 Q HA 0.456 4.796 4.340 -0.001 0.000 0.268 44 Q C 0.331 176.233 176.000 -0.164 0.000 1.007 44 Q CA -0.681 55.032 55.803 -0.149 0.000 0.810 44 Q CB 1.949 30.620 28.738 -0.112 0.000 1.264 44 Q HN 0.676 nan 8.270 nan 0.000 0.452 45 M N 3.135 122.591 119.600 -0.240 0.000 2.296 45 M HA -0.128 4.352 4.480 -0.001 0.000 0.265 45 M C 1.583 177.777 176.300 -0.178 0.000 1.064 45 M CA 0.801 55.942 55.300 -0.264 0.000 1.109 45 M CB -0.678 31.628 32.600 -0.489 0.000 1.396 45 M HN 0.559 nan 8.290 nan 0.000 0.430 46 L N 0.822 121.936 121.223 -0.181 0.000 2.056 46 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 46 L C 2.492 179.356 176.870 -0.010 0.000 1.078 46 L CA 1.829 56.598 54.840 -0.119 0.000 0.749 46 L CB -0.632 41.332 42.059 -0.157 0.000 0.901 46 L HN 0.261 nan 8.230 nan 0.000 0.433 47 E N -0.446 119.734 120.200 -0.034 0.000 2.072 47 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 47 E C 2.203 178.815 176.600 0.020 0.000 0.985 47 E CA 1.307 57.701 56.400 -0.011 0.000 0.801 47 E CB -0.281 29.398 29.700 -0.035 0.000 0.750 47 E HN 0.426 nan 8.360 nan 0.000 0.452 48 L N 0.593 121.826 121.223 0.017 0.000 2.012 48 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 48 L C 2.305 179.244 176.870 0.116 0.000 1.073 48 L CA 1.721 56.581 54.840 0.033 0.000 0.748 48 L CB -1.069 40.997 42.059 0.011 0.000 0.891 48 L HN 0.139 nan 8.230 nan 0.000 0.431 49 Y N -0.053 120.248 120.300 0.000 0.000 2.207 49 Y HA -0.278 4.272 4.550 -0.001 0.000 0.287 49 Y C 2.564 178.557 175.900 0.154 0.000 1.156 49 Y CA 1.853 60.040 58.100 0.145 0.000 1.182 49 Y CB -0.615 37.929 38.460 0.141 0.000 0.979 49 Y HN 0.371 nan 8.280 nan 0.000 0.521 50 D N -0.354 120.157 120.400 0.185 0.000 2.144 50 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 50 D C 2.076 178.416 176.300 0.068 0.000 0.978 50 D CA 1.299 55.362 54.000 0.106 0.000 0.833 50 D CB -0.007 40.828 40.800 0.060 0.000 0.961 50 D HN 0.513 nan 8.370 nan 0.000 0.470 51 R N -0.943 119.580 120.500 0.037 0.000 2.237 51 R HA 0.201 4.540 4.340 -0.001 0.000 0.195 51 R C 0.906 177.183 176.300 -0.038 0.000 0.956 51 R CA -0.137 55.961 56.100 -0.002 0.000 1.029 51 R CB -0.227 30.061 30.300 -0.019 0.000 0.972 51 R HN 0.098 nan 8.270 nan 0.000 0.493 52 M N 2.071 121.615 119.600 -0.093 0.000 2.248 52 M HA 0.024 4.504 4.480 -0.001 0.000 0.337 52 M C 0.944 177.176 176.300 -0.113 0.000 1.121 52 M CA 0.173 55.319 55.300 -0.256 0.000 1.155 52 M CB 1.568 33.735 32.600 -0.722 0.000 1.514 52 M HN 0.225 nan 8.290 nan 0.000 0.452 53 S N 0.767 116.393 115.700 -0.122 0.000 2.503 53 S HA 0.139 4.608 4.470 -0.001 0.000 0.215 53 S C 0.618 175.330 174.600 0.186 0.000 1.003 53 S CA -0.301 57.930 58.200 0.052 0.000 0.910 53 S CB -0.148 63.060 63.200 0.012 0.000 0.790 53 S HN 0.782 nan 8.310 nan 0.000 0.514 54 F N 0.810 120.696 119.950 -0.106 0.000 3.057 54 F HA -0.154 4.373 4.527 -0.000 0.000 0.287 54 F C 0.167 175.986 175.800 0.032 0.000 0.834 54 F CA 0.360 58.305 58.000 -0.093 0.000 1.147 54 F CB -1.812 37.106 39.000 -0.137 0.000 1.245 54 F HN 0.103 nan 8.300 nan 0.000 0.509 55 K N 1.173 121.660 120.400 0.143 0.000 2.401 55 K HA 0.133 4.453 4.320 -0.001 0.000 0.278 55 K C 0.276 176.992 176.600 0.193 0.000 1.018 55 K CA -0.069 56.304 56.287 0.144 0.000 0.981 55 K CB 0.535 33.080 32.500 0.075 0.000 0.933 55 K HN 0.085 nan 8.250 nan 0.000 0.477 56 D N 3.426 123.948 120.400 0.205 0.000 2.557 56 D HA 0.166 4.805 4.640 -0.001 0.000 0.236 56 D C -0.293 176.051 176.300 0.074 0.000 1.154 56 D CA -0.536 53.586 54.000 0.203 0.000 0.985 56 D CB -0.638 40.289 40.800 0.211 0.000 1.010 56 D HN 0.453 nan 8.370 nan 0.000 0.516 57 I N -1.464 119.138 120.570 0.054 0.000 2.566 57 I HA 0.460 4.630 4.170 -0.001 0.000 0.303 57 I C 0.243 176.350 176.117 -0.016 0.000 0.983 57 I CA -0.967 60.342 61.300 0.016 0.000 1.235 57 I CB 1.267 39.276 38.000 0.016 0.000 1.386 57 I HN -0.129 nan 8.210 nan 0.000 0.494 58 D N 4.189 124.578 120.400 -0.018 0.000 2.363 58 D HA 0.122 4.761 4.640 -0.001 0.000 0.263 58 D C 1.025 177.313 176.300 -0.021 0.000 1.258 58 D CA 0.231 54.215 54.000 -0.027 0.000 0.907 58 D CB 1.421 42.213 40.800 -0.013 0.000 1.107 58 D HN 0.855 nan 8.370 nan 0.000 0.495 59 G N 2.431 111.203 108.800 -0.047 0.000 2.985 59 G HA2 0.415 4.374 3.960 -0.001 0.000 0.209 59 G HA3 0.415 4.374 3.960 -0.001 0.000 0.209 59 G C 0.890 175.796 174.900 0.009 0.000 1.165 59 G CA 0.406 45.483 45.100 -0.038 0.000 0.776 59 G HN 0.900 nan 8.290 nan 0.000 0.541 60 G N -0.600 108.209 108.800 0.016 0.000 2.464 60 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.216 60 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.216 60 G C 1.181 176.107 174.900 0.043 0.000 1.186 60 G CA 0.662 45.783 45.100 0.035 0.000 1.010 60 G HN 1.091 nan 8.290 nan 0.000 0.585 61 V N -3.561 116.378 119.914 0.041 0.000 2.490 61 V HA 0.100 4.219 4.120 -0.001 0.000 0.250 61 V C 1.414 177.545 176.094 0.062 0.000 1.061 61 V CA 2.399 64.707 62.300 0.013 0.000 1.064 61 V CB -0.527 31.269 31.823 -0.045 0.000 0.670 61 V HN 1.417 nan 8.190 nan 0.000 0.461 62 W N 2.575 123.796 121.300 -0.132 0.000 2.318 62 W HA 0.443 5.103 4.660 -0.001 0.000 0.362 62 W C 1.138 177.629 176.519 -0.047 0.000 0.978 62 W CA -1.841 55.423 57.345 -0.135 0.000 1.509 62 W CB 0.291 29.640 29.460 -0.184 0.000 1.437 62 W HN 0.038 nan 8.180 nan 0.000 0.361 63 K N 2.606 123.112 120.400 0.176 0.000 2.152 63 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 63 K C 0.839 177.368 176.600 -0.117 0.000 1.048 63 K CA 1.523 57.813 56.287 0.006 0.000 0.933 63 K CB 0.172 32.668 32.500 -0.007 0.000 0.721 63 K HN 0.562 nan 8.250 nan 0.000 0.447 64 Q N -0.867 118.825 119.800 -0.179 0.000 2.198 64 Q HA 0.150 4.490 4.340 -0.001 0.000 0.209 64 Q C 0.797 176.453 176.000 -0.574 0.000 0.848 64 Q CA -0.332 55.340 55.803 -0.219 0.000 0.974 64 Q CB 1.359 30.100 28.738 0.004 0.000 1.115 64 Q HN 0.217 nan 8.270 nan 0.000 0.494 65 G N 0.592 108.613 108.800 -1.299 0.000 3.407 65 G HA2 0.523 4.483 3.960 -0.001 0.000 0.187 65 G HA3 0.523 4.483 3.960 -0.001 0.000 0.187 65 G C -1.412 173.155 174.900 -0.555 0.000 1.262 65 G CA -0.311 43.705 45.100 -1.807 0.000 0.808 65 G HN 0.346 nan 8.290 nan 0.000 0.687 66 W N -1.353 119.645 121.300 -0.504 0.000 2.988 66 W HA 0.626 5.285 4.660 -0.000 0.000 0.355 66 W C -1.436 175.172 176.519 0.148 0.000 1.233 66 W CA -1.169 56.118 57.345 -0.097 0.000 1.176 66 W CB 0.635 30.052 29.460 -0.073 0.000 1.477 66 W HN 0.193 nan 8.180 nan 0.000 0.582 67 N N 2.128 120.981 118.700 0.254 0.000 2.399 67 N HA 0.220 4.960 4.740 -0.001 0.000 0.259 67 N C -0.344 175.309 175.510 0.240 0.000 1.160 67 N CA 0.043 53.199 53.050 0.176 0.000 0.946 67 N CB 0.412 39.002 38.487 0.173 0.000 1.156 67 N HN 0.400 nan 8.380 nan 0.000 0.489 68 I N 2.056 122.673 120.570 0.079 0.000 2.588 68 I HA 0.022 4.192 4.170 -0.001 0.000 0.283 68 I C 0.815 177.097 176.117 0.275 0.000 1.119 68 I CA 0.266 61.693 61.300 0.211 0.000 1.419 68 I CB 0.526 38.595 38.000 0.115 0.000 1.394 68 I HN 0.124 nan 8.210 nan 0.000 0.562 69 K N 5.956 126.550 120.400 0.324 0.000 2.259 69 K HA 0.598 4.917 4.320 -0.001 0.000 0.249 69 K C -1.348 175.417 176.600 0.275 0.000 0.942 69 K CA -0.694 55.712 56.287 0.198 0.000 0.816 69 K CB 2.198 34.780 32.500 0.136 0.000 1.155 69 K HN 0.487 nan 8.250 nan 0.000 0.428 70 Y N -1.964 118.425 120.300 0.148 0.000 2.588 70 Y HA 0.428 4.977 4.550 -0.001 0.000 0.343 70 Y C -1.111 174.859 175.900 0.117 0.000 1.065 70 Y CA -1.546 56.641 58.100 0.146 0.000 1.038 70 Y CB 1.211 39.776 38.460 0.175 0.000 1.297 70 Y HN 0.393 nan 8.280 nan 0.000 0.467 71 D N 3.004 123.554 120.400 0.249 0.000 2.316 71 D HA 0.334 4.974 4.640 -0.001 0.000 0.245 71 D C -1.950 174.518 176.300 0.279 0.000 1.171 71 D CA -2.572 51.522 54.000 0.157 0.000 0.856 71 D CB 1.712 42.576 40.800 0.106 0.000 1.090 71 D HN 0.400 nan 8.370 nan 0.000 0.476 72 P HA -0.048 nan 4.420 nan 0.000 0.221 72 P C 1.218 178.657 177.300 0.232 0.000 1.145 72 P CA 0.774 64.068 63.100 0.323 0.000 0.795 72 P CB 0.228 32.055 31.700 0.211 0.000 0.775 73 L N -0.977 120.334 121.223 0.145 0.000 2.599 73 L HA 0.054 4.394 4.340 -0.001 0.000 0.230 73 L C 2.336 179.240 176.870 0.057 0.000 1.141 73 L CA 0.497 55.395 54.840 0.098 0.000 0.877 73 L CB -0.556 41.541 42.059 0.062 0.000 1.009 73 L HN -0.033 nan 8.230 nan 0.000 0.447 74 K N 0.441 120.855 120.400 0.023 0.000 2.063 74 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 74 K C -0.122 176.315 176.600 -0.271 0.000 1.048 74 K CA 1.231 57.413 56.287 -0.174 0.000 0.928 74 K CB 0.079 32.398 32.500 -0.301 0.000 0.713 74 K HN 0.068 nan 8.250 nan 0.000 0.442 75 Y N 0.714 121.129 120.300 0.192 0.000 2.342 75 Y HA 0.255 4.805 4.550 -0.000 0.000 0.334 75 Y C -0.001 175.970 175.900 0.119 0.000 1.067 75 Y CA -1.041 57.157 58.100 0.164 0.000 1.128 75 Y CB 1.420 39.922 38.460 0.070 0.000 1.200 75 Y HN 0.274 nan 8.280 nan 0.000 0.464 76 N N -0.531 118.314 118.700 0.240 0.000 3.344 76 N HA 0.538 5.278 4.740 -0.001 0.000 0.296 76 N C 0.067 175.593 175.510 0.026 0.000 1.571 76 N CA -0.428 52.687 53.050 0.107 0.000 0.844 76 N CB 0.369 38.900 38.487 0.073 0.000 1.718 76 N HN 0.439 nan 8.380 nan 0.000 0.589 77 A N -1.020 121.716 122.820 -0.139 0.000 2.024 77 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 77 A C 0.806 178.245 177.584 -0.241 0.000 1.164 77 A CA 1.486 53.369 52.037 -0.257 0.000 0.643 77 A CB -1.204 17.544 19.000 -0.419 0.000 0.806 77 A HN 0.745 nan 8.150 nan 0.000 0.451 78 H N -3.355 115.773 119.070 0.098 0.000 2.520 78 H HA 0.297 4.852 4.556 -0.001 0.000 0.284 78 H C -0.345 175.094 175.328 0.185 0.000 1.037 78 H CA 0.291 56.401 56.048 0.103 0.000 1.168 78 H CB 0.218 30.026 29.762 0.076 0.000 1.497 78 H HN 0.620 nan 8.280 nan 0.000 0.547 79 H N 0.313 119.462 119.070 0.132 0.000 3.006 79 H HA 0.269 4.825 4.556 -0.000 0.000 0.304 79 H C -1.141 174.329 175.328 0.238 0.000 1.403 79 H CA -0.707 55.438 56.048 0.161 0.000 1.615 79 H CB 0.016 29.861 29.762 0.139 0.000 1.935 79 H HN 0.050 nan 8.280 nan 0.000 0.626 80 K N 2.072 122.440 120.400 -0.054 0.000 2.095 80 K HA 0.356 4.675 4.320 -0.001 0.000 0.252 80 K C -0.690 175.715 176.600 -0.326 0.000 0.977 80 K CA -1.304 54.921 56.287 -0.103 0.000 0.900 80 K CB 1.697 34.128 32.500 -0.115 0.000 1.060 80 K HN 0.238 nan 8.250 nan 0.000 0.449 81 L N 2.301 123.182 121.223 -0.570 0.000 2.281 81 L HA 0.179 4.519 4.340 -0.001 0.000 0.285 81 L C -0.590 175.991 176.870 -0.482 0.000 1.074 81 L CA 0.209 54.588 54.840 -0.768 0.000 0.817 81 L CB 0.369 41.787 42.059 -1.069 0.000 1.168 81 L HN 0.279 nan 8.230 nan 0.000 0.434 82 K N 4.602 124.748 120.400 -0.422 0.000 2.253 82 K HA 0.423 4.742 4.320 -0.001 0.000 0.277 82 K C -1.469 174.774 176.600 -0.594 0.000 1.053 82 K CA -0.389 55.610 56.287 -0.479 0.000 0.892 82 K CB 1.247 33.522 32.500 -0.375 0.000 1.102 82 K HN 0.463 nan 8.250 nan 0.000 0.469 83 V N 5.809 125.260 119.914 -0.772 0.000 2.384 83 V HA 0.401 4.521 4.120 -0.001 0.000 0.287 83 V C -0.613 174.926 176.094 -0.925 0.000 1.020 83 V CA -0.805 60.993 62.300 -0.836 0.000 0.850 83 V CB 0.876 32.033 31.823 -1.111 0.000 0.987 83 V HN 0.470 nan 8.190 nan 0.000 0.436 84 F N 3.784 123.475 119.950 -0.431 0.000 2.388 84 F HA 0.507 5.033 4.527 -0.001 0.000 0.358 84 F C 0.202 175.809 175.800 -0.320 0.000 1.122 84 F CA -0.710 57.090 58.000 -0.333 0.000 1.056 84 F CB 1.756 40.630 39.000 -0.210 0.000 1.155 84 F HN 0.178 nan 8.300 nan 0.000 0.461 85 V N 5.139 125.012 119.914 -0.068 0.000 2.364 85 V HA 0.316 4.435 4.120 -0.001 0.000 0.272 85 V C -0.261 175.937 176.094 0.174 0.000 1.036 85 V CA -0.648 61.679 62.300 0.044 0.000 0.880 85 V CB 1.257 33.178 31.823 0.164 0.000 0.991 85 V HN 0.444 nan 8.190 nan 0.000 0.460 86 V N 8.233 128.193 119.914 0.077 0.000 2.293 86 V HA 0.318 4.438 4.120 -0.001 0.000 0.275 86 V C -2.394 173.733 176.094 0.054 0.000 1.021 86 V CA -1.965 60.344 62.300 0.015 0.000 0.815 86 V CB 1.410 33.141 31.823 -0.152 0.000 1.025 86 V HN 0.715 nan 8.190 nan 0.000 0.448 87 P HA 0.331 nan 4.420 nan 0.000 0.271 87 P C -0.831 176.470 177.300 0.001 0.000 1.216 87 P CA 0.271 63.351 63.100 -0.033 0.000 0.771 87 P CB 0.342 31.851 31.700 -0.319 0.000 0.864 88 H N -1.055 118.015 119.070 -0.001 0.000 2.990 88 H HA 0.793 5.349 4.556 -0.001 0.000 0.336 88 H C -1.470 173.977 175.328 0.197 0.000 1.306 88 H CA -1.137 54.814 56.048 -0.162 0.000 1.118 88 H CB 0.987 30.606 29.762 -0.239 0.000 1.856 88 H HN 0.186 nan 8.280 nan 0.000 0.538 89 S N 0.625 116.364 115.700 0.065 0.000 2.776 89 S HA 0.201 4.671 4.470 -0.001 0.000 0.284 89 S C -1.816 172.721 174.600 -0.105 0.000 1.160 89 S CA -0.657 57.617 58.200 0.123 0.000 1.051 89 S CB 0.109 63.565 63.200 0.427 0.000 1.037 89 S HN 0.829 nan 8.310 nan 0.000 0.485 90 H N 4.443 123.427 119.070 -0.142 0.000 2.800 90 H HA 0.420 4.976 4.556 -0.001 0.000 0.291 90 H C -0.113 174.826 175.328 -0.649 0.000 1.076 90 H CA 0.358 56.232 56.048 -0.290 0.000 1.452 90 H CB 0.238 29.886 29.762 -0.190 0.000 1.461 90 H HN 0.555 nan 8.280 nan 0.000 0.488 91 N N 5.371 123.413 118.700 -1.096 0.000 2.518 91 N HA 0.062 4.802 4.740 -0.001 0.000 0.254 91 N C -1.217 173.816 175.510 -0.795 0.000 0.979 91 N CA -0.646 51.625 53.050 -1.297 0.000 0.930 91 N CB 1.164 39.170 38.487 -0.801 0.000 1.152 91 N HN 0.644 nan 8.380 nan 0.000 0.505 92 D N 2.737 122.712 120.400 -0.708 0.000 2.343 92 D HA 0.125 4.765 4.640 -0.001 0.000 0.255 92 D C -2.041 174.343 176.300 0.141 0.000 1.187 92 D CA -1.074 52.806 54.000 -0.199 0.000 0.875 92 D CB 1.476 42.416 40.800 0.233 0.000 1.136 92 D HN 0.207 nan 8.370 nan 0.000 0.469 93 P HA 0.196 nan 4.420 nan 0.000 0.231 93 P C -0.017 177.497 177.300 0.357 0.000 1.756 93 P CA -0.061 63.069 63.100 0.050 0.000 0.990 93 P CB 0.141 31.732 31.700 -0.182 0.000 1.973 94 G N 0.260 109.443 108.800 0.639 0.000 3.067 94 G HA2 0.021 3.980 3.960 -0.001 0.000 0.686 94 G HA3 0.021 3.980 3.960 -0.001 0.000 0.686 94 G C -1.086 174.351 174.900 0.895 0.000 1.119 94 G CA -0.640 44.844 45.100 0.640 0.000 0.790 94 G HN 0.342 nan 8.290 nan 0.000 0.605 95 W N 2.517 124.159 121.300 0.570 0.000 4.518 95 W HA 0.301 4.961 4.660 -0.001 0.000 0.160 95 W C 0.861 177.561 176.519 0.302 0.000 3.470 95 W CA 0.941 58.593 57.345 0.511 0.000 1.183 95 W CB -0.746 29.108 29.460 0.657 0.000 2.083 95 W HN 0.509 nan 8.180 nan 0.000 0.403 96 I N 1.915 122.512 120.570 0.046 0.000 3.030 96 I HA 0.165 4.335 4.170 -0.001 0.000 0.270 96 I C 0.405 176.403 176.117 -0.199 0.000 1.211 96 I CA 0.985 62.131 61.300 -0.257 0.000 1.479 96 I CB -1.100 36.704 38.000 -0.327 0.000 1.105 96 I HN 0.089 nan 8.210 nan 0.000 0.447 97 Q N -0.131 119.375 119.800 -0.489 0.000 2.496 97 Q HA 0.389 4.728 4.340 -0.001 0.000 0.286 97 Q C 0.167 175.928 176.000 -0.398 0.000 1.103 97 Q CA -0.674 54.814 55.803 -0.524 0.000 0.813 97 Q CB 1.908 30.109 28.738 -0.895 0.000 1.444 97 Q HN 0.231 nan 8.270 nan 0.000 0.443 98 T N -2.141 112.293 114.554 -0.200 0.000 2.766 98 T HA 0.091 4.440 4.350 -0.001 0.000 0.295 98 T C 0.796 175.585 174.700 0.149 0.000 1.024 98 T CA -0.427 61.631 62.100 -0.069 0.000 1.018 98 T CB 0.282 69.141 68.868 -0.015 0.000 1.002 98 T HN 0.564 nan 8.240 nan 0.000 0.532 99 F N 1.240 121.257 119.950 0.111 0.000 2.063 99 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 99 F C 2.461 178.449 175.800 0.312 0.000 1.109 99 F CA 2.455 60.600 58.000 0.241 0.000 1.212 99 F CB -0.392 38.643 39.000 0.059 0.000 0.973 99 F HN 0.787 nan 8.300 nan 0.000 0.480 100 E N 0.318 120.743 120.200 0.375 0.000 2.106 100 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 100 E C 2.027 178.685 176.600 0.096 0.000 0.984 100 E CA 1.664 58.225 56.400 0.267 0.000 0.806 100 E CB -0.279 29.569 29.700 0.247 0.000 0.750 100 E HN 0.615 nan 8.360 nan 0.000 0.458 101 E N -0.973 119.224 120.200 -0.006 0.000 2.031 101 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 101 E C 1.851 178.271 176.600 -0.300 0.000 0.994 101 E CA 1.258 57.501 56.400 -0.261 0.000 0.800 101 E CB -0.267 29.338 29.700 -0.159 0.000 0.752 101 E HN 0.342 nan 8.360 nan 0.000 0.447 102 Y N -0.527 119.729 120.300 -0.074 0.000 2.207 102 Y HA -0.263 4.287 4.550 -0.001 0.000 0.287 102 Y C 2.202 178.029 175.900 -0.121 0.000 1.156 102 Y CA 1.286 59.321 58.100 -0.108 0.000 1.182 102 Y CB -0.764 37.714 38.460 0.031 0.000 0.979 102 Y HN 0.212 nan 8.280 nan 0.000 0.521 103 Y N 0.810 121.116 120.300 0.010 0.000 2.145 103 Y HA -0.277 4.273 4.550 -0.001 0.000 0.286 103 Y C 2.289 178.153 175.900 -0.061 0.000 1.145 103 Y CA 1.864 59.928 58.100 -0.061 0.000 1.148 103 Y CB -0.342 38.090 38.460 -0.046 0.000 0.981 103 Y HN 0.050 nan 8.280 nan 0.000 0.507 104 Q N -0.644 119.057 119.800 -0.164 0.000 2.123 104 Q HA -0.157 4.183 4.340 -0.001 0.000 0.199 104 Q C 2.092 178.062 176.000 -0.050 0.000 0.966 104 Q CA 2.115 57.802 55.803 -0.194 0.000 0.845 104 Q CB -0.524 28.131 28.738 -0.137 0.000 0.907 104 Q HN 0.776 nan 8.270 nan 0.000 0.439 105 H N -0.828 118.261 119.070 0.032 0.000 2.497 105 H HA 0.057 4.613 4.556 -0.001 0.000 0.282 105 H C 0.875 176.291 175.328 0.147 0.000 1.003 105 H CA 0.558 56.656 56.048 0.083 0.000 1.307 105 H CB 0.702 30.478 29.762 0.022 0.000 1.437 105 H HN 0.186 nan 8.280 nan 0.000 0.544 106 D N -1.138 119.366 120.400 0.174 0.000 3.081 106 D HA 0.011 4.651 4.640 -0.001 0.000 0.243 106 D C 1.710 178.064 176.300 0.090 0.000 1.388 106 D CA 0.506 54.592 54.000 0.143 0.000 1.245 106 D CB 0.011 40.789 40.800 -0.036 0.000 1.319 106 D HN 0.043 nan 8.370 nan 0.000 0.377 107 T N 2.481 117.003 114.554 -0.055 0.000 2.867 107 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 107 T C 1.924 176.453 174.700 -0.285 0.000 1.057 107 T CA 1.332 63.364 62.100 -0.113 0.000 1.136 107 T CB -0.023 68.629 68.868 -0.361 0.000 0.874 107 T HN 0.242 nan 8.240 nan 0.000 0.466 108 K N 0.866 120.909 120.400 -0.595 0.000 2.147 108 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 108 K C 1.914 178.262 176.600 -0.421 0.000 1.049 108 K CA 1.417 57.333 56.287 -0.618 0.000 0.936 108 K CB -0.400 31.532 32.500 -0.946 0.000 0.722 108 K HN 0.399 nan 8.250 nan 0.000 0.446 109 H N 1.082 120.078 119.070 -0.123 0.000 2.363 109 H HA 0.045 4.600 4.556 -0.001 0.000 0.301 109 H C 2.332 177.660 175.328 0.001 0.000 1.074 109 H CA 1.430 57.462 56.048 -0.026 0.000 1.354 109 H CB -0.190 29.581 29.762 0.017 0.000 1.397 109 H HN 0.192 nan 8.280 nan 0.000 0.516 110 I N 0.847 121.497 120.570 0.134 0.000 2.127 110 I HA -0.286 3.884 4.170 -0.001 0.000 0.241 110 I C 2.489 178.617 176.117 0.020 0.000 1.075 110 I CA 1.185 62.607 61.300 0.204 0.000 1.334 110 I CB -0.334 37.855 38.000 0.315 0.000 1.040 110 I HN 0.093 nan 8.210 nan 0.000 0.405 111 L N -0.287 120.729 121.223 -0.345 0.000 2.093 111 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 111 L C 2.688 179.201 176.870 -0.595 0.000 1.085 111 L CA 1.071 55.450 54.840 -0.768 0.000 0.755 111 L CB -0.509 40.519 42.059 -1.719 0.000 0.904 111 L HN 0.182 nan 8.230 nan 0.000 0.435 112 S N 0.014 115.500 115.700 -0.356 0.000 2.356 112 S HA -0.134 4.336 4.470 -0.001 0.000 0.223 112 S C 1.721 176.285 174.600 -0.060 0.000 1.032 112 S CA 1.317 59.533 58.200 0.026 0.000 1.005 112 S CB -0.265 63.012 63.200 0.128 0.000 0.867 112 S HN 0.455 nan 8.310 nan 0.000 0.449 113 N N 1.687 120.341 118.700 -0.077 0.000 2.331 113 N HA 0.091 4.831 4.740 -0.001 0.000 0.180 113 N C 1.709 176.833 175.510 -0.644 0.000 1.019 113 N CA 1.010 53.933 53.050 -0.211 0.000 0.881 113 N CB -0.523 37.962 38.487 -0.004 0.000 0.972 113 N HN 0.397 nan 8.380 nan 0.000 0.435 114 A N 1.072 123.594 122.820 -0.497 0.000 1.898 114 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 114 A C 2.194 179.487 177.584 -0.486 0.000 1.181 114 A CA 0.877 52.457 52.037 -0.762 0.000 0.620 114 A CB -0.679 18.147 19.000 -0.290 0.000 0.819 114 A HN 0.217 nan 8.150 nan 0.000 0.442 115 L N 0.209 121.294 121.223 -0.230 0.000 2.012 115 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 115 L C 2.493 179.290 176.870 -0.121 0.000 1.073 115 L CA 2.571 57.358 54.840 -0.088 0.000 0.748 115 L CB -0.655 41.427 42.059 0.038 0.000 0.891 115 L HN 0.513 nan 8.230 nan 0.000 0.431 116 R N -1.773 118.625 120.500 -0.170 0.000 2.066 116 R HA -0.234 4.105 4.340 -0.001 0.000 0.232 116 R C 2.383 178.588 176.300 -0.159 0.000 1.131 116 R CA 1.889 57.910 56.100 -0.131 0.000 0.955 116 R CB -0.584 29.649 30.300 -0.112 0.000 0.851 116 R HN 0.527 nan 8.270 nan 0.000 0.432 117 H N 0.278 119.062 119.070 -0.478 0.000 2.357 117 H HA 0.014 4.569 4.556 -0.001 0.000 0.301 117 H C 2.057 177.168 175.328 -0.362 0.000 1.082 117 H CA 2.009 57.750 56.048 -0.511 0.000 1.342 117 H CB -0.019 29.150 29.762 -0.988 0.000 1.389 117 H HN 0.143 nan 8.280 nan 0.000 0.511 118 L N -0.678 120.364 121.223 -0.302 0.000 2.093 118 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 118 L C 2.596 179.415 176.870 -0.084 0.000 1.085 118 L CA 1.403 56.146 54.840 -0.162 0.000 0.755 118 L CB -0.644 41.345 42.059 -0.117 0.000 0.904 118 L HN 0.503 nan 8.230 nan 0.000 0.435 119 H N 0.653 119.637 119.070 -0.142 0.000 2.319 119 H HA -0.204 4.352 4.556 -0.001 0.000 0.299 119 H C 1.260 176.525 175.328 -0.106 0.000 1.092 119 H CA 2.067 58.059 56.048 -0.093 0.000 1.302 119 H CB 0.199 29.917 29.762 -0.074 0.000 1.373 119 H HN 0.322 nan 8.280 nan 0.000 0.497 120 D N 0.231 120.553 120.400 -0.131 0.000 2.347 120 D HA -0.028 4.612 4.640 -0.001 0.000 0.215 120 D C -0.066 176.108 176.300 -0.211 0.000 0.976 120 D CA 0.548 54.433 54.000 -0.191 0.000 0.884 120 D CB -0.167 40.543 40.800 -0.150 0.000 0.915 120 D HN 0.418 nan 8.370 nan 0.000 0.526 121 N N 0.178 118.752 118.700 -0.209 0.000 2.716 121 N HA 0.174 4.914 4.740 -0.001 0.000 0.253 121 N C -2.206 173.264 175.510 -0.067 0.000 1.170 121 N CA -1.057 51.910 53.050 -0.138 0.000 0.807 121 N CB 2.209 40.591 38.487 -0.175 0.000 1.183 121 N HN -0.200 nan 8.380 nan 0.000 0.524 122 P HA -0.155 nan 4.420 nan 0.000 0.221 122 P C 0.726 178.043 177.300 0.029 0.000 1.145 122 P CA 1.178 64.262 63.100 -0.028 0.000 0.795 122 P CB 0.430 32.110 31.700 -0.033 0.000 0.775 123 E N -1.565 118.681 120.200 0.077 0.000 2.442 123 E HA 0.043 4.393 4.350 -0.001 0.000 0.195 123 E C 0.897 177.632 176.600 0.226 0.000 1.030 123 E CA 0.107 56.603 56.400 0.160 0.000 0.869 123 E CB -0.454 29.376 29.700 0.216 0.000 0.857 123 E HN 0.260 nan 8.360 nan 0.000 0.505 124 M N 1.407 121.077 119.600 0.117 0.000 2.240 124 M HA 0.119 4.598 4.480 -0.001 0.000 0.333 124 M C -0.347 175.947 176.300 -0.010 0.000 1.110 124 M CA 0.210 55.490 55.300 -0.033 0.000 1.173 124 M CB 0.513 33.089 32.600 -0.040 0.000 1.458 124 M HN -0.358 nan 8.290 nan 0.000 0.458 125 K N 2.943 123.301 120.400 -0.070 0.000 2.480 125 K HA 0.637 4.956 4.320 -0.001 0.000 0.258 125 K C -1.778 174.867 176.600 0.075 0.000 0.990 125 K CA -0.481 55.820 56.287 0.024 0.000 0.857 125 K CB 2.227 34.764 32.500 0.061 0.000 1.384 125 K HN 0.666 nan 8.250 nan 0.000 0.446 126 F N 1.539 121.408 119.950 -0.135 0.000 2.650 126 F HA 0.461 4.988 4.527 -0.001 0.000 0.310 126 F C -1.429 174.264 175.800 -0.179 0.000 1.112 126 F CA -1.289 56.617 58.000 -0.158 0.000 0.986 126 F CB 1.044 40.030 39.000 -0.024 0.000 1.285 126 F HN 0.455 nan 8.300 nan 0.000 0.440 127 I N 1.906 122.118 120.570 -0.595 0.000 2.562 127 I HA 0.592 4.762 4.170 -0.001 0.000 0.301 127 I C -1.718 173.958 176.117 -0.735 0.000 1.003 127 I CA -0.587 60.331 61.300 -0.637 0.000 1.127 127 I CB 2.432 40.008 38.000 -0.706 0.000 1.304 127 I HN 0.695 nan 8.210 nan 0.000 0.446 128 W N 4.784 125.686 121.300 -0.663 0.000 2.839 128 W HA 0.636 5.296 4.660 -0.001 0.000 0.334 128 W C -0.718 175.722 176.519 -0.131 0.000 1.064 128 W CA -0.551 56.543 57.345 -0.418 0.000 1.236 128 W CB 2.670 31.947 29.460 -0.305 0.000 1.405 128 W HN 0.792 nan 8.180 nan 0.000 0.478 129 A N 3.468 125.937 122.820 -0.586 0.000 2.013 129 A HA 0.156 4.476 4.320 -0.001 0.000 0.204 129 A C -0.010 177.525 177.584 -0.081 0.000 1.262 129 A CA 0.483 52.404 52.037 -0.194 0.000 0.800 129 A CB 0.026 18.971 19.000 -0.090 0.000 0.909 129 A HN 0.512 nan 8.150 nan 0.000 0.472 130 E N 1.062 121.099 120.200 -0.271 0.000 1.963 130 E HA 0.305 4.654 4.350 -0.001 0.000 0.274 130 E C 0.446 177.201 176.600 0.258 0.000 1.061 130 E CA -0.283 56.123 56.400 0.009 0.000 0.847 130 E CB 0.747 30.439 29.700 -0.012 0.000 1.083 130 E HN 0.289 nan 8.360 nan 0.000 0.402 131 I N 1.475 122.101 120.570 0.093 0.000 2.676 131 I HA -0.197 3.972 4.170 -0.001 0.000 0.259 131 I C 1.961 177.729 176.117 -0.582 0.000 1.194 131 I CA 0.890 62.171 61.300 -0.032 0.000 1.473 131 I CB -1.379 36.649 38.000 0.046 0.000 1.096 131 I HN 0.406 nan 8.210 nan 0.000 0.443 132 S N 1.130 116.197 115.700 -1.054 0.000 2.365 132 S HA -0.262 4.208 4.470 -0.001 0.000 0.225 132 S C 2.132 176.440 174.600 -0.488 0.000 1.039 132 S CA 1.273 58.493 58.200 -1.633 0.000 1.033 132 S CB -0.953 61.366 63.200 -1.469 0.000 0.887 132 S HN 0.357 nan 8.310 nan 0.000 0.447 133 Y N 0.586 120.902 120.300 0.026 0.000 2.220 133 Y HA 0.157 4.707 4.550 -0.001 0.000 0.291 133 Y C 2.215 178.174 175.900 0.098 0.000 1.129 133 Y CA 0.238 58.456 58.100 0.195 0.000 1.161 133 Y CB -0.976 37.700 38.460 0.361 0.000 0.997 133 Y HN 0.330 nan 8.280 nan 0.000 0.522 134 F N 0.021 120.048 119.950 0.129 0.000 2.134 134 F HA -0.187 4.340 4.527 -0.001 0.000 0.299 134 F C 2.341 177.962 175.800 -0.299 0.000 1.097 134 F CA 1.341 59.286 58.000 -0.093 0.000 1.264 134 F CB -0.474 38.455 39.000 -0.117 0.000 1.001 134 F HN -0.015 nan 8.300 nan 0.000 0.479 135 A N 0.157 122.616 122.820 -0.602 0.000 1.902 135 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 135 A C 2.155 179.608 177.584 -0.217 0.000 1.181 135 A CA 1.762 53.277 52.037 -0.870 0.000 0.623 135 A CB -0.765 17.596 19.000 -1.064 0.000 0.818 135 A HN 0.391 nan 8.150 nan 0.000 0.443 136 R N -1.017 119.409 120.500 -0.123 0.000 2.091 136 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 136 R C 1.757 178.003 176.300 -0.090 0.000 1.136 136 R CA 2.091 58.136 56.100 -0.093 0.000 0.959 136 R CB -0.833 29.366 30.300 -0.168 0.000 0.856 136 R HN 0.497 nan 8.270 nan 0.000 0.437 137 F N -0.427 119.437 119.950 -0.143 0.000 2.128 137 F HA -0.106 4.421 4.527 -0.001 0.000 0.295 137 F C 1.930 177.650 175.800 -0.134 0.000 1.100 137 F CA 1.524 59.501 58.000 -0.039 0.000 1.260 137 F CB -0.689 38.235 39.000 -0.127 0.000 1.009 137 F HN 0.125 nan 8.300 nan 0.000 0.476 138 Y N 0.111 120.172 120.300 -0.399 0.000 2.242 138 Y HA -0.223 4.327 4.550 -0.001 0.000 0.291 138 Y C 2.609 178.311 175.900 -0.330 0.000 1.137 138 Y CA 2.093 59.941 58.100 -0.420 0.000 1.181 138 Y CB -0.685 37.650 38.460 -0.209 0.000 0.989 138 Y HN 0.122 nan 8.280 nan 0.000 0.527 139 H N -0.825 118.226 119.070 -0.032 0.000 2.524 139 H HA -0.061 4.495 4.556 -0.001 0.000 0.282 139 H C 0.957 176.181 175.328 -0.173 0.000 1.016 139 H CA 1.387 57.388 56.048 -0.078 0.000 1.270 139 H CB -0.035 29.737 29.762 0.016 0.000 1.394 139 H HN 0.446 nan 8.280 nan 0.000 0.568 140 D N 0.017 120.331 120.400 -0.143 0.000 2.350 140 D HA 0.074 4.714 4.640 -0.001 0.000 0.213 140 D C 0.583 176.710 176.300 -0.289 0.000 1.031 140 D CA 0.057 53.955 54.000 -0.169 0.000 0.861 140 D CB 0.342 41.076 40.800 -0.110 0.000 0.926 140 D HN 0.187 nan 8.370 nan 0.000 0.520 141 L N 0.633 121.584 121.223 -0.453 0.000 2.397 141 L HA 0.316 4.655 4.340 -0.001 0.000 0.271 141 L C 1.399 178.085 176.870 -0.307 0.000 1.148 141 L CA -0.616 53.951 54.840 -0.455 0.000 0.825 141 L CB 0.855 42.549 42.059 -0.608 0.000 1.117 141 L HN -0.029 nan 8.230 nan 0.000 0.456 142 G N 0.855 109.522 108.800 -0.222 0.000 2.636 142 G HA2 0.014 3.973 3.960 -0.001 0.000 0.246 142 G HA3 0.014 3.973 3.960 -0.001 0.000 0.246 142 G C 0.665 175.470 174.900 -0.159 0.000 1.216 142 G CA -0.281 44.726 45.100 -0.154 0.000 0.854 142 G HN 0.798 nan 8.290 nan 0.000 0.572 143 E N 0.180 120.317 120.200 -0.105 0.000 2.085 143 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 143 E C 2.219 178.782 176.600 -0.061 0.000 0.994 143 E CA 1.564 57.918 56.400 -0.076 0.000 0.801 143 E CB -0.160 29.519 29.700 -0.034 0.000 0.743 143 E HN 0.598 nan 8.360 nan 0.000 0.453 144 N N 0.114 118.779 118.700 -0.059 0.000 2.069 144 N HA -0.198 4.542 4.740 -0.001 0.000 0.191 144 N C 1.431 176.907 175.510 -0.058 0.000 1.031 144 N CA 1.385 54.406 53.050 -0.048 0.000 0.852 144 N CB 0.020 38.476 38.487 -0.051 0.000 1.018 144 N HN 0.049 nan 8.380 nan 0.000 0.423 145 K N 1.142 121.489 120.400 -0.089 0.000 2.103 145 K HA -0.012 4.308 4.320 -0.001 0.000 0.204 145 K C 2.031 178.592 176.600 -0.064 0.000 1.052 145 K CA 0.573 56.806 56.287 -0.091 0.000 0.945 145 K CB -0.170 32.254 32.500 -0.127 0.000 0.722 145 K HN 0.311 nan 8.250 nan 0.000 0.443 146 K N 0.872 121.191 120.400 -0.135 0.000 2.063 146 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 146 K C 2.252 178.929 176.600 0.127 0.000 1.048 146 K CA 1.075 57.304 56.287 -0.096 0.000 0.928 146 K CB -0.176 32.169 32.500 -0.259 0.000 0.713 146 K HN 0.051 nan 8.250 nan 0.000 0.442 147 L N 0.931 122.195 121.223 0.068 0.000 2.056 147 L HA -0.195 4.144 4.340 -0.001 0.000 0.207 147 L C 2.556 179.489 176.870 0.104 0.000 1.078 147 L CA 1.188 56.085 54.840 0.095 0.000 0.749 147 L CB -0.360 41.732 42.059 0.056 0.000 0.901 147 L HN 0.247 nan 8.230 nan 0.000 0.433 148 Q N -0.809 119.033 119.800 0.070 0.000 2.096 148 Q HA -0.276 4.064 4.340 -0.001 0.000 0.204 148 Q C 2.201 178.286 176.000 0.141 0.000 0.982 148 Q CA 1.761 57.611 55.803 0.079 0.000 0.850 148 Q CB -0.196 28.527 28.738 -0.026 0.000 0.901 148 Q HN 0.368 nan 8.270 nan 0.000 0.422 149 M N 1.132 120.845 119.600 0.188 0.000 2.099 149 M HA -0.139 4.341 4.480 -0.001 0.000 0.262 149 M C 1.605 178.087 176.300 0.304 0.000 1.067 149 M CA 1.746 57.223 55.300 0.296 0.000 1.124 149 M CB 0.029 32.903 32.600 0.457 0.000 1.353 149 M HN -0.095 nan 8.290 nan 0.000 0.410 150 K N -1.032 119.545 120.400 0.294 0.000 2.103 150 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 150 K C 2.277 178.974 176.600 0.162 0.000 1.048 150 K CA 1.568 57.995 56.287 0.233 0.000 0.930 150 K CB -0.453 32.170 32.500 0.204 0.000 0.716 150 K HN 0.399 nan 8.250 nan 0.000 0.444 151 S N 1.544 117.329 115.700 0.143 0.000 2.368 151 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 151 S C 1.953 176.610 174.600 0.095 0.000 1.029 151 S CA 1.052 59.317 58.200 0.108 0.000 0.988 151 S CB -0.230 63.034 63.200 0.106 0.000 0.838 151 S HN 0.400 nan 8.310 nan 0.000 0.462 152 I N -0.868 119.769 120.570 0.111 0.000 2.676 152 I HA 0.043 4.213 4.170 -0.001 0.000 0.259 152 I C 1.817 177.966 176.117 0.054 0.000 1.194 152 I CA 0.702 62.048 61.300 0.077 0.000 1.473 152 I CB -0.363 37.683 38.000 0.076 0.000 1.096 152 I HN 0.097 nan 8.210 nan 0.000 0.443 153 V N 1.594 121.559 119.914 0.084 0.000 2.346 153 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 153 V C 2.699 178.826 176.094 0.054 0.000 1.037 153 V CA 1.994 64.330 62.300 0.060 0.000 1.029 153 V CB -0.721 31.200 31.823 0.163 0.000 0.663 153 V HN 0.419 nan 8.190 nan 0.000 0.454 154 K N 0.482 120.923 120.400 0.070 0.000 2.103 154 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 154 K C 1.474 178.092 176.600 0.029 0.000 1.048 154 K CA 1.544 57.860 56.287 0.049 0.000 0.930 154 K CB -0.086 32.446 32.500 0.053 0.000 0.716 154 K HN 0.465 nan 8.250 nan 0.000 0.444 155 N N -0.483 118.234 118.700 0.028 0.000 2.268 155 N HA 0.039 4.778 4.740 -0.001 0.000 0.204 155 N C 0.477 175.990 175.510 0.006 0.000 1.124 155 N CA 0.869 53.928 53.050 0.016 0.000 0.838 155 N CB 1.275 39.772 38.487 0.018 0.000 0.994 155 N HN 0.424 nan 8.380 nan 0.000 0.489 156 G N 1.317 110.116 108.800 -0.002 0.000 2.159 156 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.256 156 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.256 156 G C 0.902 175.788 174.900 -0.024 0.000 0.977 156 G CA 0.307 45.395 45.100 -0.020 0.000 0.652 156 G HN 0.374 nan 8.290 nan 0.000 0.531 157 Q N -1.343 118.450 119.800 -0.011 0.000 2.062 157 Q HA 0.203 4.543 4.340 -0.001 0.000 0.196 157 Q C 1.213 177.204 176.000 -0.015 0.000 0.967 157 Q CA 1.062 56.864 55.803 -0.002 0.000 0.832 157 Q CB 0.173 28.916 28.738 0.009 0.000 0.899 157 Q HN 0.583 nan 8.270 nan 0.000 0.442 158 L N 1.251 122.445 121.223 -0.049 0.000 2.272 158 L HA 0.295 4.635 4.340 -0.001 0.000 0.289 158 L C -0.936 175.749 176.870 -0.308 0.000 1.032 158 L CA -0.050 54.711 54.840 -0.131 0.000 0.810 158 L CB 1.420 43.410 42.059 -0.116 0.000 1.205 158 L HN -0.050 nan 8.230 nan 0.000 0.422 159 E N 4.171 124.143 120.200 -0.379 0.000 2.234 159 E HA 0.378 4.728 4.350 -0.001 0.000 0.266 159 E C -1.509 174.798 176.600 -0.488 0.000 0.877 159 E CA -0.724 55.454 56.400 -0.370 0.000 0.758 159 E CB 1.016 30.586 29.700 -0.217 0.000 1.170 159 E HN 0.491 nan 8.360 nan 0.000 0.415 160 F N 3.152 123.049 119.950 -0.089 0.000 2.412 160 F HA 0.239 4.765 4.527 -0.001 0.000 0.348 160 F C 0.281 176.046 175.800 -0.058 0.000 1.102 160 F CA -0.557 57.403 58.000 -0.067 0.000 1.196 160 F CB 1.281 40.252 39.000 -0.050 0.000 1.144 160 F HN 0.192 nan 8.300 nan 0.000 0.541 161 V N -0.055 119.918 119.914 0.097 0.000 2.513 161 V HA 0.639 4.759 4.120 -0.001 0.000 0.299 161 V C 0.306 176.530 176.094 0.217 0.000 1.035 161 V CA -0.500 61.857 62.300 0.095 0.000 0.889 161 V CB 0.937 32.707 31.823 -0.089 0.000 0.988 161 V HN 0.977 nan 8.190 nan 0.000 0.440 162 T N 3.135 117.889 114.554 0.335 0.000 12.763 162 T HA -0.323 4.027 4.350 -0.001 0.000 0.419 162 T C 1.741 176.670 174.700 0.383 0.000 1.443 162 T CA 3.035 65.381 62.100 0.410 0.000 2.376 162 T CB -1.687 67.326 68.868 0.241 0.000 2.832 162 T HN 2.798 nan 8.240 nan 0.000 0.739 163 G N 1.893 110.855 108.800 0.270 0.000 2.143 163 G HA2 0.091 4.051 3.960 -0.001 0.000 0.248 163 G HA3 0.091 4.051 3.960 -0.001 0.000 0.248 163 G C 0.317 175.357 174.900 0.233 0.000 0.991 163 G CA 0.592 45.826 45.100 0.224 0.000 0.689 163 G HN 1.547 nan 8.290 nan 0.000 0.522 164 G N -1.681 107.255 108.800 0.227 0.000 2.599 164 G HA2 0.359 4.318 3.960 -0.001 0.000 0.264 164 G HA3 0.359 4.318 3.960 -0.001 0.000 0.264 164 G C 0.986 176.061 174.900 0.292 0.000 1.200 164 G CA 0.168 45.414 45.100 0.243 0.000 0.896 164 G HN 0.334 nan 8.290 nan 0.000 0.536 165 W N 0.212 121.558 121.300 0.078 0.000 2.342 165 W HA -0.036 4.624 4.660 -0.001 0.000 0.297 165 W C 0.746 177.298 176.519 0.055 0.000 1.213 165 W CA 1.875 59.253 57.345 0.054 0.000 1.251 165 W CB 0.240 29.717 29.460 0.028 0.000 1.136 165 W HN 0.399 nan 8.180 nan 0.000 0.526 166 V N -2.651 117.384 119.914 0.201 0.000 3.105 166 V HA 0.503 4.623 4.120 -0.001 0.000 0.311 166 V C -0.428 175.751 176.094 0.142 0.000 1.287 166 V CA -1.279 61.085 62.300 0.106 0.000 1.066 166 V CB 1.730 33.637 31.823 0.139 0.000 1.105 166 V HN -0.056 nan 8.190 nan 0.000 0.462 167 M N 3.942 123.650 119.600 0.180 0.000 2.103 167 M HA 0.510 4.989 4.480 -0.001 0.000 0.350 167 M C -2.693 173.764 176.300 0.262 0.000 1.100 167 M CA -1.902 53.523 55.300 0.208 0.000 1.042 167 M CB 1.360 34.101 32.600 0.235 0.000 1.368 167 M HN 0.640 nan 8.290 nan 0.000 0.404 168 P HA 0.120 nan 4.420 nan 0.000 0.274 168 P C -0.919 176.394 177.300 0.021 0.000 1.237 168 P CA -0.181 62.972 63.100 0.088 0.000 0.793 168 P CB 0.571 32.310 31.700 0.065 0.000 0.977 169 D N 0.663 121.035 120.400 -0.047 0.000 2.478 169 D HA -0.082 4.558 4.640 -0.001 0.000 0.234 169 D C 0.712 177.027 176.300 0.025 0.000 1.154 169 D CA 0.711 54.667 54.000 -0.073 0.000 0.874 169 D CB 0.437 41.205 40.800 -0.054 0.000 1.198 169 D HN 0.310 nan 8.370 nan 0.000 0.455 170 E N 1.334 121.595 120.200 0.102 0.000 2.526 170 E HA 0.192 4.542 4.350 -0.001 0.000 0.208 170 E C 0.877 177.658 176.600 0.300 0.000 0.997 170 E CA 0.038 56.565 56.400 0.212 0.000 0.961 170 E CB 0.675 30.519 29.700 0.240 0.000 1.030 170 E HN 0.470 nan 8.360 nan 0.000 0.483 171 A N 1.383 124.325 122.820 0.204 0.000 1.901 171 A HA 0.031 4.351 4.320 -0.001 0.000 0.210 171 A C 1.816 179.283 177.584 -0.194 0.000 1.208 171 A CA 0.579 52.502 52.037 -0.190 0.000 0.644 171 A CB 0.067 18.926 19.000 -0.235 0.000 0.863 171 A HN 0.028 nan 8.150 nan 0.000 0.454 172 N N 0.573 119.249 118.700 -0.040 0.000 2.356 172 N HA 0.017 4.757 4.740 -0.001 0.000 0.178 172 N C 0.365 175.863 175.510 -0.020 0.000 1.075 172 N CA 0.735 53.755 53.050 -0.049 0.000 0.889 172 N CB 0.111 38.612 38.487 0.024 0.000 0.999 172 N HN 0.485 nan 8.380 nan 0.000 0.464 173 S N 0.870 116.570 115.700 -0.001 0.000 2.549 173 S HA 0.023 4.493 4.470 -0.001 0.000 0.283 173 S C 0.079 174.693 174.600 0.023 0.000 1.320 173 S CA -0.525 57.686 58.200 0.018 0.000 1.058 173 S CB 0.985 64.200 63.200 0.025 0.000 0.882 173 S HN 0.201 nan 8.310 nan 0.000 0.498 174 H N 3.585 122.632 119.070 -0.039 0.000 2.652 174 H HA 0.014 4.570 4.556 -0.001 0.000 0.349 174 H C 1.297 176.592 175.328 -0.054 0.000 1.099 174 H CA -0.036 55.973 56.048 -0.065 0.000 1.417 174 H CB 0.473 30.146 29.762 -0.148 0.000 1.457 174 H HN 1.030 nan 8.280 nan 0.000 0.568 175 W N 5.883 127.073 121.300 -0.183 0.000 2.331 175 W HA -0.181 4.479 4.660 -0.000 0.000 0.291 175 W C 1.108 177.687 176.519 0.100 0.000 1.214 175 W CA 0.474 57.791 57.345 -0.047 0.000 1.228 175 W CB -0.485 28.888 29.460 -0.145 0.000 1.135 175 W HN 0.534 nan 8.180 nan 0.000 0.537 176 R N 0.733 120.854 120.500 -0.633 0.000 2.120 176 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 176 R C 1.988 178.120 176.300 -0.280 0.000 1.123 176 R CA 1.805 57.444 56.100 -0.769 0.000 0.975 176 R CB -0.401 29.399 30.300 -0.833 0.000 0.866 176 R HN 0.155 nan 8.270 nan 0.000 0.446 177 N N -0.177 118.443 118.700 -0.133 0.000 2.376 177 N HA -0.049 4.690 4.740 -0.001 0.000 0.177 177 N C 1.741 177.252 175.510 0.002 0.000 1.024 177 N CA 0.663 53.678 53.050 -0.058 0.000 0.893 177 N CB 0.008 38.481 38.487 -0.022 0.000 0.980 177 N HN -0.013 nan 8.380 nan 0.000 0.439 178 V N 1.485 121.422 119.914 0.038 0.000 2.295 178 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 178 V C 2.348 178.484 176.094 0.069 0.000 1.049 178 V CA 1.084 63.426 62.300 0.070 0.000 1.024 178 V CB -0.500 31.384 31.823 0.102 0.000 0.648 178 V HN 0.188 nan 8.190 nan 0.000 0.447 179 L N -0.273 120.999 121.223 0.082 0.000 2.046 179 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 179 L C 2.189 179.068 176.870 0.014 0.000 1.077 179 L CA 1.881 56.761 54.840 0.066 0.000 0.747 179 L CB -0.678 41.448 42.059 0.111 0.000 0.896 179 L HN 0.301 nan 8.230 nan 0.000 0.432 180 L N -0.218 120.992 121.223 -0.021 0.000 2.017 180 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 180 L C 2.559 179.421 176.870 -0.014 0.000 1.073 180 L CA 2.274 57.092 54.840 -0.037 0.000 0.745 180 L CB -0.712 41.307 42.059 -0.067 0.000 0.894 180 L HN 0.668 nan 8.230 nan 0.000 0.432 181 Q N -1.004 118.810 119.800 0.024 0.000 2.123 181 Q HA -0.183 4.157 4.340 -0.001 0.000 0.199 181 Q C 2.042 178.127 176.000 0.141 0.000 0.966 181 Q CA 1.934 57.786 55.803 0.082 0.000 0.845 181 Q CB -1.132 27.692 28.738 0.144 0.000 0.907 181 Q HN 0.462 nan 8.270 nan 0.000 0.439 182 L N 0.959 122.250 121.223 0.113 0.000 2.012 182 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 182 L C 1.962 178.913 176.870 0.135 0.000 1.073 182 L CA 2.509 57.428 54.840 0.133 0.000 0.748 182 L CB -1.036 41.078 42.059 0.091 0.000 0.891 182 L HN 0.339 nan 8.230 nan 0.000 0.431 183 T N -0.990 113.612 114.554 0.080 0.000 2.788 183 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 183 T C 1.732 176.486 174.700 0.090 0.000 1.044 183 T CA 1.451 63.592 62.100 0.067 0.000 1.139 183 T CB -0.185 68.693 68.868 0.016 0.000 0.867 183 T HN 0.347 nan 8.240 nan 0.000 0.454 184 E N 0.960 121.187 120.200 0.046 0.000 2.051 184 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 184 E C 2.343 179.065 176.600 0.203 0.000 0.991 184 E CA 1.525 57.906 56.400 -0.033 0.000 0.799 184 E CB -0.867 28.622 29.700 -0.351 0.000 0.748 184 E HN 0.443 nan 8.360 nan 0.000 0.449 185 G N -0.051 108.971 108.800 0.369 0.000 2.404 185 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.215 185 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.215 185 G C 1.510 176.632 174.900 0.370 0.000 1.174 185 G CA 0.699 46.105 45.100 0.510 0.000 0.780 185 G HN 0.265 nan 8.290 nan 0.000 0.537 186 Q N -0.217 119.736 119.800 0.255 0.000 2.172 186 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 186 Q C 2.806 178.904 176.000 0.163 0.000 0.964 186 Q CA 1.438 57.351 55.803 0.183 0.000 0.855 186 Q CB -0.207 28.622 28.738 0.152 0.000 0.918 186 Q HN 0.411 nan 8.270 nan 0.000 0.444 187 T N 0.112 114.774 114.554 0.179 0.000 2.821 187 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 187 T C 1.068 175.869 174.700 0.169 0.000 1.046 187 T CA 1.021 63.203 62.100 0.138 0.000 1.139 187 T CB -0.328 68.616 68.868 0.127 0.000 0.871 187 T HN 0.470 nan 8.240 nan 0.000 0.454 188 W N 1.537 122.936 121.300 0.165 0.000 2.355 188 W HA -0.006 4.653 4.660 -0.001 0.000 0.309 188 W C 1.778 178.416 176.519 0.199 0.000 1.206 188 W CA 0.833 58.358 57.345 0.299 0.000 1.284 188 W CB -0.416 29.292 29.460 0.414 0.000 1.145 188 W HN 0.132 nan 8.180 nan 0.000 0.502 189 L N 0.666 122.099 121.223 0.350 0.000 2.046 189 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 189 L C 2.609 179.411 176.870 -0.115 0.000 1.077 189 L CA 1.883 56.752 54.840 0.049 0.000 0.747 189 L CB -0.928 41.104 42.059 -0.046 0.000 0.896 189 L HN -0.009 nan 8.230 nan 0.000 0.432 190 K N 0.006 120.361 120.400 -0.076 0.000 2.057 190 K HA -0.258 4.061 4.320 -0.001 0.000 0.206 190 K C 2.191 178.656 176.600 -0.226 0.000 1.050 190 K CA 1.564 57.782 56.287 -0.115 0.000 0.935 190 K CB -0.031 32.428 32.500 -0.069 0.000 0.715 190 K HN 0.242 nan 8.250 nan 0.000 0.439 191 Q N -0.803 118.792 119.800 -0.342 0.000 2.050 191 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 191 Q C 1.446 176.949 176.000 -0.829 0.000 0.980 191 Q CA 1.864 57.294 55.803 -0.621 0.000 0.840 191 Q CB 0.034 28.270 28.738 -0.836 0.000 0.898 191 Q HN 0.320 nan 8.270 nan 0.000 0.424 192 F N -1.627 117.954 119.950 -0.615 0.000 2.622 192 F HA 0.125 4.652 4.527 -0.001 0.000 0.288 192 F C 1.586 177.105 175.800 -0.468 0.000 1.120 192 F CA 0.205 57.792 58.000 -0.687 0.000 1.423 192 F CB 0.434 38.598 39.000 -1.394 0.000 1.127 192 F HN 0.097 nan 8.300 nan 0.000 0.588 193 M N -1.006 118.450 119.600 -0.240 0.000 2.308 193 M HA 0.235 4.715 4.480 -0.001 0.000 0.269 193 M C 0.268 176.549 176.300 -0.033 0.000 1.040 193 M CA 0.160 55.416 55.300 -0.073 0.000 1.024 193 M CB -1.057 31.526 32.600 -0.028 0.000 1.465 193 M HN 0.084 nan 8.290 nan 0.000 0.517 194 N N 2.031 120.678 118.700 -0.088 0.000 2.727 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.249 194 N C -1.001 174.492 175.510 -0.028 0.000 1.048 194 N CA 0.730 53.743 53.050 -0.061 0.000 0.714 194 N CB -0.925 37.538 38.487 -0.039 0.000 0.959 194 N HN 0.383 nan 8.380 nan 0.000 0.544 195 V N -3.692 116.205 119.914 -0.027 0.000 3.012 195 V HA 0.848 4.967 4.120 -0.001 0.000 0.307 195 V C -0.033 176.049 176.094 -0.020 0.000 1.166 195 V CA -0.508 61.791 62.300 -0.000 0.000 0.974 195 V CB 2.319 34.187 31.823 0.076 0.000 1.040 195 V HN 0.053 nan 8.190 nan 0.000 0.428 196 T N 4.306 118.838 114.554 -0.037 0.000 2.892 196 T HA 0.588 4.937 4.350 -0.001 0.000 0.311 196 T C -2.721 171.900 174.700 -0.132 0.000 1.033 196 T CA -0.824 61.235 62.100 -0.068 0.000 0.991 196 T CB 1.356 70.173 68.868 -0.084 0.000 0.981 196 T HN 0.770 nan 8.240 nan 0.000 0.457 197 P HA 0.160 nan 4.420 nan 0.000 0.266 197 P C 0.862 177.783 177.300 -0.632 0.000 1.195 197 P CA -0.155 62.827 63.100 -0.196 0.000 0.768 197 P CB 0.527 32.225 31.700 -0.004 0.000 0.838 198 T N -1.696 112.543 114.554 -0.525 0.000 3.040 198 T HA 0.526 4.876 4.350 -0.001 0.000 0.266 198 T C 0.373 174.888 174.700 -0.309 0.000 1.005 198 T CA -0.263 61.411 62.100 -0.709 0.000 0.906 198 T CB 0.133 68.785 68.868 -0.361 0.000 1.082 198 T HN 0.410 nan 8.240 nan 0.000 0.531 199 A N 0.866 123.658 122.820 -0.046 0.000 2.331 199 A HA 0.791 5.110 4.320 -0.001 0.000 0.320 199 A C -0.139 177.711 177.584 0.443 0.000 1.138 199 A CA -0.692 51.475 52.037 0.217 0.000 0.790 199 A CB 1.766 20.906 19.000 0.233 0.000 1.206 199 A HN 0.259 nan 8.150 nan 0.000 0.470 200 S N 2.127 118.086 115.700 0.431 0.000 2.565 200 S HA 0.658 5.127 4.470 -0.001 0.000 0.290 200 S C -1.096 173.697 174.600 0.321 0.000 1.150 200 S CA -0.428 57.963 58.200 0.318 0.000 1.058 200 S CB 0.691 63.907 63.200 0.027 0.000 1.032 200 S HN 0.776 nan 8.310 nan 0.000 0.510 201 W N 4.687 126.006 121.300 0.031 0.000 2.543 201 W HA 0.618 5.278 4.660 -0.001 0.000 0.318 201 W C -1.363 175.106 176.519 -0.083 0.000 1.002 201 W CA -0.835 56.481 57.345 -0.049 0.000 1.302 201 W CB 1.079 30.482 29.460 -0.095 0.000 1.299 201 W HN 0.778 nan 8.180 nan 0.000 0.424 202 A N 7.715 130.380 122.820 -0.259 0.000 2.842 202 A HA 0.265 4.585 4.320 -0.001 0.000 0.339 202 A C 0.402 177.734 177.584 -0.420 0.000 1.177 202 A CA -0.476 51.414 52.037 -0.245 0.000 0.797 202 A CB -0.422 18.555 19.000 -0.039 0.000 1.094 202 A HN 0.689 nan 8.150 nan 0.000 0.474 203 I N -2.190 117.935 120.570 -0.742 0.000 3.419 203 I HA 0.290 4.459 4.170 -0.001 0.000 0.286 203 I C 1.310 177.116 176.117 -0.519 0.000 1.268 203 I CA 1.265 62.100 61.300 -0.776 0.000 1.414 203 I CB 0.453 37.716 38.000 -1.228 0.000 1.074 203 I HN 0.349 nan 8.210 nan 0.000 0.457 204 A N 0.458 122.940 122.820 -0.563 0.000 2.226 204 A HA 0.480 4.800 4.320 -0.001 0.000 0.207 204 A C -1.998 175.157 177.584 -0.715 0.000 1.293 204 A CA -0.214 51.462 52.037 -0.601 0.000 0.968 204 A CB -0.761 17.733 19.000 -0.843 0.000 1.044 204 A HN 0.239 nan 8.150 nan 0.000 0.493 205 P HA 0.143 nan 4.420 nan 0.000 0.268 205 P C -0.790 176.079 177.300 -0.718 0.000 1.208 205 P CA 0.303 62.903 63.100 -0.833 0.000 0.777 205 P CB 0.067 31.438 31.700 -0.548 0.000 0.875 206 F N 1.728 121.451 119.950 -0.378 0.000 2.499 206 F HA 0.546 5.073 4.527 -0.001 0.000 0.353 206 F C 1.426 177.163 175.800 -0.105 0.000 1.196 206 F CA -0.641 57.093 58.000 -0.444 0.000 1.244 206 F CB -1.072 37.801 39.000 -0.211 0.000 1.577 206 F HN 0.526 nan 8.300 nan 0.000 0.614 207 G N 1.482 110.030 108.800 -0.421 0.000 2.699 207 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.686 207 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.686 207 G C -1.456 173.076 174.900 -0.613 0.000 1.301 207 G CA -1.132 43.819 45.100 -0.248 0.000 0.816 207 G HN 0.666 nan 8.290 nan 0.000 0.595 208 H N -0.527 118.232 119.070 -0.520 0.000 2.717 208 H HA 0.734 5.290 4.556 -0.001 0.000 0.366 208 H C -0.343 174.872 175.328 -0.189 0.000 1.132 208 H CA 0.049 55.990 56.048 -0.180 0.000 1.180 208 H CB 2.040 31.850 29.762 0.081 0.000 1.678 208 H HN 0.702 nan 8.280 nan 0.000 0.537 209 S N 2.486 118.328 115.700 0.235 0.000 2.501 209 S HA 0.259 4.729 4.470 -0.001 0.000 0.301 209 S C -1.758 172.872 174.600 0.050 0.000 1.096 209 S CA -1.780 56.573 58.200 0.256 0.000 1.063 209 S CB 1.334 64.734 63.200 0.332 0.000 1.042 209 S HN 0.447 nan 8.310 nan 0.000 0.494 210 P HA -0.005 nan 4.420 nan 0.000 0.234 210 P C 1.122 178.166 177.300 -0.426 0.000 1.167 210 P CA 0.797 63.499 63.100 -0.664 0.000 0.763 210 P CB -0.277 31.188 31.700 -0.393 0.000 0.835 211 T N -0.146 114.296 114.554 -0.186 0.000 2.803 211 T HA -0.115 4.234 4.350 -0.001 0.000 0.269 211 T C 1.836 176.496 174.700 -0.067 0.000 1.052 211 T CA 1.266 63.303 62.100 -0.105 0.000 1.136 211 T CB -0.398 68.448 68.868 -0.038 0.000 0.864 211 T HN 0.000 nan 8.240 nan 0.000 0.467 212 M N 0.957 120.476 119.600 -0.135 0.000 2.059 212 M HA -0.010 4.470 4.480 -0.001 0.000 0.259 212 M C -0.556 175.608 176.300 -0.228 0.000 1.072 212 M CA 1.294 56.508 55.300 -0.144 0.000 1.117 212 M CB -2.570 29.971 32.600 -0.098 0.000 1.320 212 M HN 0.142 nan 8.290 nan 0.000 0.408 213 P HA -0.208 nan 4.420 nan 0.000 0.218 213 P C 1.691 178.866 177.300 -0.208 0.000 1.148 213 P CA 1.475 64.384 63.100 -0.318 0.000 0.822 213 P CB -0.432 30.980 31.700 -0.480 0.000 0.784 214 Y N 1.163 121.276 120.300 -0.311 0.000 2.097 214 Y HA -0.215 4.335 4.550 -0.001 0.000 0.282 214 Y C 2.439 178.257 175.900 -0.137 0.000 1.152 214 Y CA 1.740 59.721 58.100 -0.199 0.000 1.136 214 Y CB -0.987 37.372 38.460 -0.170 0.000 0.975 214 Y HN -0.233 nan 8.280 nan 0.000 0.498 215 I N -0.467 120.106 120.570 0.006 0.000 2.252 215 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 215 I C 2.248 178.287 176.117 -0.129 0.000 1.102 215 I CA 1.173 62.448 61.300 -0.043 0.000 1.385 215 I CB -0.397 37.648 38.000 0.074 0.000 1.064 215 I HN 0.259 nan 8.210 nan 0.000 0.414 216 L N 0.037 121.136 121.223 -0.208 0.000 2.056 216 L HA -0.214 4.125 4.340 -0.001 0.000 0.207 216 L C 2.670 179.522 176.870 -0.031 0.000 1.078 216 L CA 1.179 55.834 54.840 -0.308 0.000 0.749 216 L CB -0.710 40.959 42.059 -0.650 0.000 0.901 216 L HN 0.328 nan 8.230 nan 0.000 0.433 217 Q N 1.072 120.820 119.800 -0.086 0.000 2.224 217 Q HA -0.187 4.152 4.340 -0.001 0.000 0.203 217 Q C 1.640 177.599 176.000 -0.068 0.000 0.970 217 Q CA 1.408 57.183 55.803 -0.047 0.000 0.865 217 Q CB 0.148 28.828 28.738 -0.097 0.000 0.922 217 Q HN 0.481 nan 8.270 nan 0.000 0.445 218 K N -0.562 119.755 120.400 -0.138 0.000 2.444 218 K HA 0.114 4.433 4.320 -0.001 0.000 0.193 218 K C 0.649 177.210 176.600 -0.064 0.000 1.024 218 K CA 0.095 56.294 56.287 -0.146 0.000 1.077 218 K CB 0.548 32.888 32.500 -0.266 0.000 0.833 218 K HN -0.086 nan 8.250 nan 0.000 0.517 219 S N -0.066 115.651 115.700 0.029 0.000 2.741 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.247 219 S C 0.755 175.456 174.600 0.169 0.000 1.050 219 S CA 0.092 58.358 58.200 0.110 0.000 1.025 219 S CB 1.236 64.542 63.200 0.178 0.000 0.897 219 S HN 0.528 nan 8.310 nan 0.000 0.508 220 G N 1.209 110.059 108.800 0.082 0.000 2.179 220 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 220 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 220 G C -0.014 174.862 174.900 -0.040 0.000 0.977 220 G CA -0.319 44.775 45.100 -0.010 0.000 0.641 220 G HN 0.451 nan 8.290 nan 0.000 0.533 221 F N -0.066 119.843 119.950 -0.068 0.000 2.450 221 F HA 0.626 5.152 4.527 -0.001 0.000 0.339 221 F C 1.416 177.157 175.800 -0.098 0.000 1.146 221 F CA 0.090 58.046 58.000 -0.074 0.000 1.267 221 F CB 1.142 40.102 39.000 -0.067 0.000 1.178 221 F HN -0.160 nan 8.300 nan 0.000 0.585 222 K N 0.526 120.943 120.400 0.029 0.000 2.425 222 K HA 0.250 4.569 4.320 -0.001 0.000 0.201 222 K C -0.606 175.933 176.600 -0.102 0.000 1.128 222 K CA 0.172 56.417 56.287 -0.070 0.000 1.000 222 K CB 0.270 32.680 32.500 -0.150 0.000 0.961 222 K HN 0.426 nan 8.250 nan 0.000 0.555 223 N N 0.324 118.950 118.700 -0.123 0.000 2.484 223 N HA 0.417 5.157 4.740 -0.001 0.000 0.269 223 N C -1.191 174.174 175.510 -0.242 0.000 1.237 223 N CA -0.452 52.366 53.050 -0.387 0.000 0.838 223 N CB 2.378 40.124 38.487 -1.235 0.000 1.593 223 N HN -0.055 nan 8.380 nan 0.000 0.485 224 M N -0.331 119.137 119.600 -0.221 0.000 2.569 224 M HA 0.636 5.115 4.480 -0.001 0.000 0.279 224 M C -1.927 174.434 176.300 0.102 0.000 1.253 224 M CA -0.952 54.339 55.300 -0.015 0.000 0.867 224 M CB 2.911 35.497 32.600 -0.024 0.000 1.727 224 M HN 0.456 nan 8.290 nan 0.000 0.467 225 L N 3.548 124.852 121.223 0.135 0.000 2.386 225 L HA 0.868 5.208 4.340 -0.001 0.000 0.271 225 L C -1.416 175.336 176.870 -0.197 0.000 0.993 225 L CA -0.740 54.139 54.840 0.065 0.000 0.819 225 L CB 1.987 44.137 42.059 0.151 0.000 1.294 225 L HN 0.945 nan 8.230 nan 0.000 0.414 226 I N 0.952 121.314 120.570 -0.346 0.000 3.145 226 I HA 0.618 4.788 4.170 -0.001 0.000 0.313 226 I C -0.730 175.077 176.117 -0.517 0.000 1.122 226 I CA -0.579 60.328 61.300 -0.654 0.000 0.987 226 I CB 2.262 39.593 38.000 -1.115 0.000 1.236 226 I HN 0.746 nan 8.210 nan 0.000 0.453 227 Q N 1.750 121.304 119.800 -0.409 0.000 2.546 227 Q HA 0.325 4.665 4.340 -0.001 0.000 0.226 227 Q C 0.062 175.961 176.000 -0.168 0.000 0.769 227 Q CA 0.332 55.987 55.803 -0.247 0.000 0.954 227 Q CB 0.598 29.188 28.738 -0.246 0.000 1.319 227 Q HN 0.660 nan 8.270 nan 0.000 0.534 228 R N 2.122 122.551 120.500 -0.119 0.000 3.266 228 R HA 0.320 4.660 4.340 -0.001 0.000 0.224 228 R C -0.691 175.342 176.300 -0.446 0.000 1.525 228 R CA 0.559 56.335 56.100 -0.539 0.000 1.364 228 R CB 0.194 29.848 30.300 -1.077 0.000 1.276 228 R HN 0.398 nan 8.270 nan 0.000 0.660 229 T N -2.767 111.755 114.554 -0.053 0.000 2.932 229 T HA 0.151 4.501 4.350 -0.001 0.000 0.289 229 T C 0.086 175.025 174.700 0.398 0.000 1.039 229 T CA -0.865 61.331 62.100 0.160 0.000 1.024 229 T CB 1.784 70.602 68.868 -0.084 0.000 1.090 229 T HN 0.373 nan 8.240 nan 0.000 0.496 230 H N 1.740 121.008 119.070 0.331 0.000 3.064 230 H HA -0.038 4.518 4.556 -0.001 0.000 0.329 230 H C 1.042 176.417 175.328 0.078 0.000 1.020 230 H CA 0.522 56.667 56.048 0.162 0.000 1.402 230 H CB 0.362 30.243 29.762 0.198 0.000 1.379 230 H HN 0.925 nan 8.280 nan 0.000 0.594 231 Y N 2.219 122.596 120.300 0.128 0.000 2.256 231 Y HA -0.175 4.375 4.550 -0.001 0.000 0.288 231 Y C 2.205 178.269 175.900 0.273 0.000 1.155 231 Y CA 0.950 59.170 58.100 0.199 0.000 1.203 231 Y CB -0.653 37.866 38.460 0.098 0.000 0.980 231 Y HN 0.281 nan 8.280 nan 0.000 0.530 232 S N 0.308 116.065 115.700 0.094 0.000 2.387 232 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 232 S C 2.102 176.630 174.600 -0.120 0.000 1.026 232 S CA 1.114 59.264 58.200 -0.085 0.000 0.972 232 S CB -0.556 62.376 63.200 -0.447 0.000 0.814 232 S HN 0.366 nan 8.310 nan 0.000 0.477 233 V N 2.079 121.978 119.914 -0.024 0.000 2.295 233 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 233 V C 2.240 178.371 176.094 0.061 0.000 1.049 233 V CA 1.641 63.958 62.300 0.029 0.000 1.024 233 V CB -0.533 31.412 31.823 0.203 0.000 0.648 233 V HN 0.417 nan 8.190 nan 0.000 0.447 234 K N 0.107 120.582 120.400 0.125 0.000 2.032 234 K HA -0.258 4.061 4.320 -0.001 0.000 0.209 234 K C 2.274 178.997 176.600 0.205 0.000 1.048 234 K CA 1.887 58.262 56.287 0.146 0.000 0.927 234 K CB -0.261 32.380 32.500 0.236 0.000 0.712 234 K HN 0.352 nan 8.250 nan 0.000 0.441 235 K N 1.185 121.710 120.400 0.208 0.000 2.026 235 K HA -0.242 4.077 4.320 -0.001 0.000 0.208 235 K C 2.165 178.855 176.600 0.151 0.000 1.048 235 K CA 1.810 58.224 56.287 0.212 0.000 0.929 235 K CB 0.028 32.585 32.500 0.096 0.000 0.713 235 K HN -0.003 nan 8.250 nan 0.000 0.439 236 E N 0.774 120.986 120.200 0.021 0.000 2.051 236 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 236 E C 1.939 178.533 176.600 -0.011 0.000 0.991 236 E CA 1.384 57.757 56.400 -0.046 0.000 0.799 236 E CB -0.152 29.473 29.700 -0.126 0.000 0.748 236 E HN 0.338 nan 8.360 nan 0.000 0.449 237 L N -0.182 121.045 121.223 0.007 0.000 2.093 237 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 237 L C 2.532 179.422 176.870 0.032 0.000 1.085 237 L CA 0.895 55.733 54.840 -0.003 0.000 0.755 237 L CB -0.614 41.431 42.059 -0.024 0.000 0.904 237 L HN 0.220 nan 8.230 nan 0.000 0.435 238 A N -0.174 122.712 122.820 0.110 0.000 1.908 238 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 238 A C 2.210 179.968 177.584 0.291 0.000 1.181 238 A CA 1.675 53.833 52.037 0.201 0.000 0.627 238 A CB -0.530 18.735 19.000 0.441 0.000 0.818 238 A HN 0.467 nan 8.150 nan 0.000 0.445 239 Q N -1.040 118.891 119.800 0.219 0.000 2.181 239 Q HA -0.168 4.172 4.340 -0.001 0.000 0.205 239 Q C 1.333 177.325 176.000 -0.013 0.000 0.980 239 Q CA 1.346 57.131 55.803 -0.030 0.000 0.862 239 Q CB -0.042 28.551 28.738 -0.242 0.000 0.905 239 Q HN 0.611 nan 8.270 nan 0.000 0.429 240 Q N -0.221 119.583 119.800 0.006 0.000 2.247 240 Q HA 0.138 4.478 4.340 -0.001 0.000 0.204 240 Q C -0.419 175.598 176.000 0.029 0.000 0.872 240 Q CA -0.022 55.782 55.803 0.001 0.000 0.951 240 Q CB 0.607 29.336 28.738 -0.015 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.856 121.379 120.500 0.038 0.000 3.322 241 R HA -0.219 4.121 4.340 -0.001 0.000 0.253 241 R C -0.115 176.219 176.300 0.057 0.000 0.987 241 R CA 0.487 56.602 56.100 0.024 0.000 0.666 241 R CB -1.863 28.476 30.300 0.065 0.000 1.072 241 R HN 0.397 nan 8.270 nan 0.000 0.447 242 Q N 0.055 119.879 119.800 0.040 0.000 2.186 242 Q HA 0.188 4.527 4.340 -0.001 0.000 0.241 242 Q C 1.210 177.296 176.000 0.145 0.000 0.849 242 Q CA -0.230 55.633 55.803 0.100 0.000 1.053 242 Q CB 0.514 29.274 28.738 0.037 0.000 1.146 242 Q HN 0.447 nan 8.270 nan 0.000 0.475 243 L N 0.071 121.310 121.223 0.027 0.000 2.395 243 L HA 0.027 4.366 4.340 -0.001 0.000 0.218 243 L C 0.328 177.182 176.870 -0.027 0.000 1.130 243 L CA 0.954 55.779 54.840 -0.024 0.000 0.826 243 L CB 0.291 42.143 42.059 -0.345 0.000 0.941 243 L HN 0.190 nan 8.230 nan 0.000 0.451 244 E N 0.236 120.467 120.200 0.050 0.000 2.158 244 E HA 0.501 4.851 4.350 -0.001 0.000 0.271 244 E C -1.210 175.296 176.600 -0.157 0.000 0.911 244 E CA -0.521 55.710 56.400 -0.282 0.000 0.767 244 E CB 1.437 31.118 29.700 -0.031 0.000 1.120 244 E HN 0.002 nan 8.360 nan 0.000 0.405 245 F N -0.186 119.514 119.950 -0.416 0.000 2.686 245 F HA 0.474 5.000 4.527 -0.001 0.000 0.311 245 F C -1.480 174.214 175.800 -0.177 0.000 1.128 245 F CA -1.430 56.468 58.000 -0.169 0.000 0.946 245 F CB 0.735 39.669 39.000 -0.111 0.000 1.336 245 F HN 0.149 nan 8.300 nan 0.000 0.457 246 L N 2.617 124.003 121.223 0.272 0.000 2.295 246 L HA 0.161 4.501 4.340 -0.001 0.000 0.288 246 L C -1.072 176.033 176.870 0.391 0.000 1.079 246 L CA -0.170 54.827 54.840 0.262 0.000 0.830 246 L CB 0.436 42.648 42.059 0.255 0.000 1.200 246 L HN 0.592 nan 8.230 nan 0.000 0.438 247 W N 6.868 128.280 121.300 0.187 0.000 2.357 247 W HA 0.357 5.016 4.660 -0.001 0.000 0.317 247 W C 0.198 176.746 176.519 0.048 0.000 1.101 247 W CA -1.352 56.119 57.345 0.210 0.000 1.380 247 W CB 0.476 30.111 29.460 0.293 0.000 1.266 247 W HN 0.510 nan 8.180 nan 0.000 0.419 248 R N 3.752 124.420 120.500 0.280 0.000 2.758 248 R HA 0.548 4.887 4.340 -0.001 0.000 0.265 248 R C -0.071 176.131 176.300 -0.163 0.000 1.016 248 R CA -0.896 55.199 56.100 -0.007 0.000 1.040 248 R CB 1.111 31.392 30.300 -0.033 0.000 1.152 248 R HN 0.250 nan 8.270 nan 0.000 0.503 249 Q N 1.310 120.859 119.800 -0.417 0.000 2.394 249 Q HA 0.060 4.399 4.340 -0.001 0.000 0.248 249 Q C 1.492 177.093 176.000 -0.665 0.000 0.992 249 Q CA 0.086 55.440 55.803 -0.748 0.000 0.888 249 Q CB 0.845 28.657 28.738 -1.542 0.000 1.257 249 Q HN 0.857 nan 8.270 nan 0.000 0.462 250 I N -2.088 118.191 120.570 -0.485 0.000 2.423 250 I HA -0.168 4.001 4.170 -0.001 0.000 0.254 250 I C 1.335 177.393 176.117 -0.098 0.000 1.151 250 I CA 1.386 62.571 61.300 -0.192 0.000 1.421 250 I CB -0.363 37.623 38.000 -0.023 0.000 1.079 250 I HN 0.681 nan 8.210 nan 0.000 0.431 251 W N 1.423 122.789 121.300 0.111 0.000 3.278 251 W HA 0.360 5.020 4.660 -0.001 0.000 0.308 251 W C 0.209 176.811 176.519 0.139 0.000 1.253 251 W CA -0.679 56.799 57.345 0.220 0.000 1.759 251 W CB -0.728 28.940 29.460 0.346 0.000 1.093 251 W HN -0.038 nan 8.180 nan 0.000 0.648 252 D N 1.664 121.859 120.400 -0.342 0.000 2.411 252 D HA 0.001 4.640 4.640 -0.001 0.000 0.225 252 D C 0.974 177.255 176.300 -0.032 0.000 1.156 252 D CA 0.131 54.028 54.000 -0.172 0.000 0.874 252 D CB 0.186 40.778 40.800 -0.347 0.000 1.034 252 D HN 0.019 nan 8.370 nan 0.000 0.502 253 N N 3.415 122.153 118.700 0.064 0.000 2.300 253 N HA -0.115 4.624 4.740 -0.001 0.000 0.179 253 N C 1.329 176.859 175.510 0.033 0.000 1.016 253 N CA 0.606 53.684 53.050 0.047 0.000 0.876 253 N CB 0.267 38.800 38.487 0.076 0.000 0.979 253 N HN 0.407 nan 8.380 nan 0.000 0.432 254 K N -0.314 120.112 120.400 0.042 0.000 2.116 254 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 254 K C 0.811 177.426 176.600 0.025 0.000 1.052 254 K CA 1.179 57.487 56.287 0.036 0.000 0.952 254 K CB 0.050 32.576 32.500 0.044 0.000 0.729 254 K HN 0.221 nan 8.250 nan 0.000 0.446 255 G N 0.856 109.663 108.800 0.013 0.000 2.144 255 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 255 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 255 G C 0.156 175.061 174.900 0.009 0.000 0.988 255 G CA 0.375 45.480 45.100 0.008 0.000 0.659 255 G HN 0.384 nan 8.290 nan 0.000 0.522 256 D N 0.649 121.055 120.400 0.011 0.000 2.310 256 D HA -0.041 4.598 4.640 -0.001 0.000 0.212 256 D C 2.575 178.867 176.300 -0.013 0.000 0.965 256 D CA 1.733 55.737 54.000 0.007 0.000 0.879 256 D CB -0.275 40.535 40.800 0.017 0.000 0.921 256 D HN 0.678 nan 8.370 nan 0.000 0.510 257 T N -1.894 112.643 114.554 -0.028 0.000 3.148 257 T HA 0.293 4.643 4.350 -0.001 0.000 0.253 257 T C 0.971 175.637 174.700 -0.056 0.000 1.134 257 T CA -0.060 62.004 62.100 -0.061 0.000 1.051 257 T CB -0.019 68.797 68.868 -0.087 0.000 0.959 257 T HN 0.071 nan 8.240 nan 0.000 0.525 258 A N 1.345 124.157 122.820 -0.014 0.000 2.498 258 A HA 0.565 4.885 4.320 -0.001 0.000 0.239 258 A C -0.283 177.326 177.584 0.040 0.000 1.068 258 A CA -0.374 51.685 52.037 0.037 0.000 0.766 258 A CB -0.045 19.002 19.000 0.078 0.000 1.003 258 A HN 0.521 nan 8.150 nan 0.000 0.497 259 L N 2.444 123.714 121.223 0.078 0.000 2.409 259 L HA 0.551 4.891 4.340 -0.001 0.000 0.272 259 L C -0.722 176.213 176.870 0.108 0.000 0.980 259 L CA -0.540 54.340 54.840 0.067 0.000 0.826 259 L CB 1.476 43.540 42.059 0.007 0.000 1.268 259 L HN 0.660 nan 8.230 nan 0.000 0.407 260 F N 3.816 123.729 119.950 -0.062 0.000 2.543 260 F HA 0.421 4.948 4.527 -0.001 0.000 0.375 260 F C 0.049 175.734 175.800 -0.190 0.000 1.075 260 F CA 0.687 58.618 58.000 -0.116 0.000 1.225 260 F CB 0.501 39.445 39.000 -0.093 0.000 1.099 260 F HN 0.557 nan 8.300 nan 0.000 0.561 261 T N 5.425 119.430 114.554 -0.916 0.000 2.824 261 T HA 0.205 4.555 4.350 -0.001 0.000 0.282 261 T C -1.567 172.498 174.700 -1.059 0.000 0.993 261 T CA -0.449 61.163 62.100 -0.813 0.000 0.967 261 T CB 0.870 69.251 68.868 -0.812 0.000 0.960 261 T HN 0.615 nan 8.240 nan 0.000 0.441 262 H N 2.842 121.602 119.070 -0.516 0.000 2.551 262 H HA 0.606 5.162 4.556 -0.001 0.000 0.321 262 H C -0.395 174.742 175.328 -0.318 0.000 1.028 262 H CA -0.759 55.103 56.048 -0.310 0.000 1.215 262 H CB 0.735 30.544 29.762 0.079 0.000 1.414 262 H HN 0.479 nan 8.280 nan 0.000 0.480 263 M N 7.018 126.275 119.600 -0.572 0.000 2.113 263 M HA 0.284 4.763 4.480 -0.001 0.000 0.352 263 M C -0.897 175.146 176.300 -0.428 0.000 1.170 263 M CA -0.561 54.478 55.300 -0.435 0.000 1.053 263 M CB 0.612 33.013 32.600 -0.333 0.000 1.601 263 M HN 0.675 nan 8.290 nan 0.000 0.459 264 M N 6.872 126.315 119.600 -0.262 0.000 2.248 264 M HA 0.182 4.661 4.480 -0.001 0.000 0.337 264 M C -1.624 174.538 176.300 -0.230 0.000 1.121 264 M CA -1.167 54.031 55.300 -0.171 0.000 1.155 264 M CB 0.355 32.881 32.600 -0.124 0.000 1.514 264 M HN 0.476 nan 8.290 nan 0.000 0.452 265 P HA 0.138 nan 4.420 nan 0.000 0.245 265 P C -0.353 176.726 177.300 -0.368 0.000 1.199 265 P CA 0.833 63.615 63.100 -0.531 0.000 0.807 265 P CB 0.392 31.472 31.700 -1.032 0.000 1.002 266 F N -1.838 118.116 119.950 0.006 0.000 2.629 266 F HA 0.306 4.833 4.527 -0.001 0.000 0.386 266 F C 1.987 177.871 175.800 0.139 0.000 1.135 266 F CA -1.342 56.696 58.000 0.063 0.000 1.116 266 F CB -0.847 38.127 39.000 -0.044 0.000 1.426 266 F HN -0.319 nan 8.300 nan 0.000 0.501 267 Y N -0.003 120.440 120.300 0.239 0.000 2.373 267 Y HA 0.152 4.702 4.550 -0.001 0.000 0.293 267 Y C 0.864 176.679 175.900 -0.141 0.000 1.129 267 Y CA 1.248 59.348 58.100 -0.000 0.000 1.226 267 Y CB 0.084 38.456 38.460 -0.148 0.000 1.000 267 Y HN 0.347 nan 8.280 nan 0.000 0.549 268 S N -1.709 113.811 115.700 -0.300 0.000 2.651 268 S HA 0.261 4.731 4.470 -0.001 0.000 0.279 268 S C -0.424 174.110 174.600 -0.111 0.000 1.148 268 S CA -0.377 57.562 58.200 -0.435 0.000 0.837 268 S CB 0.320 63.195 63.200 -0.542 0.000 1.138 268 S HN 0.287 nan 8.310 nan 0.000 0.478 269 Y N 0.777 121.030 120.300 -0.078 0.000 2.466 269 Y HA 0.333 4.882 4.550 -0.001 0.000 0.272 269 Y C 0.389 176.373 175.900 0.141 0.000 1.169 269 Y CA -0.655 57.432 58.100 -0.021 0.000 1.285 269 Y CB -0.968 37.391 38.460 -0.169 0.000 1.078 269 Y HN 0.529 nan 8.280 nan 0.000 0.523 270 D N 0.546 121.008 120.400 0.103 0.000 2.398 270 D HA 0.009 4.649 4.640 -0.001 0.000 0.247 270 D C 1.237 177.676 176.300 0.233 0.000 1.227 270 D CA -0.484 53.637 54.000 0.202 0.000 0.980 270 D CB 0.817 41.691 40.800 0.123 0.000 1.106 270 D HN 0.236 nan 8.370 nan 0.000 0.493 271 I N -0.380 120.299 120.570 0.181 0.000 2.226 271 I HA -0.143 4.026 4.170 -0.001 0.000 0.245 271 I C -0.762 175.400 176.117 0.075 0.000 1.100 271 I CA 0.819 62.209 61.300 0.150 0.000 1.374 271 I CB -1.159 36.915 38.000 0.123 0.000 1.057 271 I HN 0.334 nan 8.210 nan 0.000 0.413 272 P HA -0.155 nan 4.420 nan 0.000 0.221 272 P C 0.549 177.561 177.300 -0.480 0.000 1.145 272 P CA 1.618 64.551 63.100 -0.278 0.000 0.795 272 P CB -0.115 31.411 31.700 -0.290 0.000 0.775 273 H N -3.001 116.071 119.070 0.002 0.000 2.512 273 H HA 0.220 4.775 4.556 -0.001 0.000 0.276 273 H C 0.938 176.355 175.328 0.150 0.000 1.126 273 H CA 0.531 56.585 56.048 0.010 0.000 1.060 273 H CB -0.155 29.685 29.762 0.129 0.000 1.646 273 H HN 0.100 nan 8.280 nan 0.000 0.571 274 T N -4.214 110.458 114.554 0.196 0.000 2.986 274 T HA -0.033 4.317 4.350 -0.001 0.000 0.264 274 T C 1.844 176.671 174.700 0.211 0.000 0.964 274 T CA 0.378 62.625 62.100 0.245 0.000 0.895 274 T CB -0.674 68.332 68.868 0.230 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.684 120.376 118.600 0.154 0.000 2.495 275 c HA 0.693 5.263 4.570 -0.001 0.000 0.275 275 c C 1.374 175.581 174.090 0.195 0.000 1.392 275 c CA 0.423 56.882 56.329 0.216 0.000 1.766 275 c CB -1.209 41.398 42.510 0.162 0.000 1.933 275 c HN 0.904 nan 8.230 nan 0.000 0.519 276 G N -0.349 108.472 108.800 0.035 0.000 2.327 276 G HA2 0.355 4.315 3.960 -0.001 0.000 0.291 276 G HA3 0.355 4.315 3.960 -0.001 0.000 0.291 276 G C -2.732 171.720 174.900 -0.747 0.000 1.290 276 G CA 0.228 45.269 45.100 -0.098 0.000 0.857 276 G HN -0.094 nan 8.290 nan 0.000 0.520 277 P HA 0.113 nan 4.420 nan 0.000 0.229 277 P C -0.124 176.768 177.300 -0.681 0.000 1.160 277 P CA 1.002 63.420 63.100 -1.137 0.000 0.777 277 P CB 0.378 31.742 31.700 -0.559 0.000 0.814 278 D N 0.941 121.050 120.400 -0.485 0.000 2.454 278 D HA 0.141 4.780 4.640 -0.001 0.000 0.225 278 D C -1.478 174.486 176.300 -0.560 0.000 1.081 278 D CA -2.585 51.172 54.000 -0.405 0.000 0.864 278 D CB 1.327 41.971 40.800 -0.260 0.000 1.040 278 D HN -0.009 nan 8.370 nan 0.000 0.517 279 P HA -0.145 nan 4.420 nan 0.000 0.220 279 P C 1.217 177.700 177.300 -1.362 0.000 1.148 279 P CA 0.715 63.072 63.100 -1.239 0.000 0.803 279 P CB 0.479 31.167 31.700 -1.688 0.000 0.782 280 K N 0.267 120.003 120.400 -1.106 0.000 2.211 280 K HA -0.055 4.264 4.320 -0.001 0.000 0.203 280 K C 1.757 178.168 176.600 -0.315 0.000 1.050 280 K CA 0.972 56.902 56.287 -0.596 0.000 0.945 280 K CB -0.188 32.149 32.500 -0.272 0.000 0.732 280 K HN -0.063 nan 8.250 nan 0.000 0.451 281 V N 0.414 120.150 119.914 -0.298 0.000 2.331 281 V HA -0.230 3.889 4.120 -0.001 0.000 0.242 281 V C 2.403 178.464 176.094 -0.055 0.000 1.034 281 V CA 1.342 63.563 62.300 -0.131 0.000 1.027 281 V CB -0.326 31.441 31.823 -0.093 0.000 0.667 281 V HN 0.467 nan 8.190 nan 0.000 0.457 282 c N -0.638 117.859 118.600 -0.172 0.000 2.411 282 c HA -0.212 4.358 4.570 -0.001 0.000 0.279 282 c C 2.997 177.050 174.090 -0.062 0.000 1.288 282 c CA 0.885 57.173 56.329 -0.069 0.000 1.764 282 c CB -1.488 40.902 42.510 -0.200 0.000 1.974 282 c HN 0.767 nan 8.230 nan 0.000 0.498 283 c N 0.772 119.249 118.600 -0.206 0.000 2.411 283 c HA -0.152 4.418 4.570 -0.001 0.000 0.279 283 c C 2.622 176.596 174.090 -0.193 0.000 1.288 283 c CA 1.270 57.528 56.329 -0.117 0.000 1.764 283 c CB -1.441 41.082 42.510 0.022 0.000 1.974 283 c HN 0.644 nan 8.230 nan 0.000 0.498 284 Q N -1.300 118.323 119.800 -0.295 0.000 2.488 284 Q HA -0.020 4.320 4.340 -0.001 0.000 0.211 284 Q C 0.692 175.998 176.000 -1.156 0.000 0.967 284 Q CA 1.009 56.444 55.803 -0.614 0.000 0.926 284 Q CB -0.036 28.320 28.738 -0.636 0.000 0.992 284 Q HN 0.743 nan 8.270 nan 0.000 0.506 285 F N -0.195 119.469 119.950 -0.477 0.000 2.668 285 F HA 0.169 4.696 4.527 -0.001 0.000 0.301 285 F C 0.246 175.790 175.800 -0.427 0.000 1.106 285 F CA -0.547 57.085 58.000 -0.613 0.000 1.289 285 F CB 0.711 39.585 39.000 -0.209 0.000 1.006 285 F HN -0.145 nan 8.300 nan 0.000 0.535 286 D N 0.069 120.255 120.400 -0.357 0.000 2.467 286 D HA 0.137 4.777 4.640 -0.001 0.000 0.220 286 D C 0.508 176.633 176.300 -0.292 0.000 1.103 286 D CA -0.366 53.536 54.000 -0.163 0.000 0.886 286 D CB 0.129 40.885 40.800 -0.073 0.000 1.025 286 D HN 0.086 nan 8.370 nan 0.000 0.514 287 F N 1.740 121.697 119.950 0.010 0.000 2.771 287 F HA 0.079 4.606 4.527 -0.001 0.000 0.299 287 F C 2.337 178.081 175.800 -0.093 0.000 1.177 287 F CA 0.320 58.298 58.000 -0.036 0.000 1.450 287 F CB 0.053 39.055 39.000 0.003 0.000 1.114 287 F HN 0.254 nan 8.300 nan 0.000 0.587 288 K N 0.717 121.052 120.400 -0.108 0.000 2.525 288 K HA 0.038 4.357 4.320 -0.001 0.000 0.192 288 K C 1.055 177.611 176.600 -0.075 0.000 1.029 288 K CA 0.298 56.385 56.287 -0.334 0.000 1.029 288 K CB 0.109 32.272 32.500 -0.562 0.000 0.814 288 K HN 0.198 nan 8.250 nan 0.000 0.503 289 R N 0.095 120.580 120.500 -0.026 0.000 2.702 289 R HA 0.200 4.540 4.340 -0.001 0.000 0.314 289 R C 0.869 177.192 176.300 0.039 0.000 1.152 289 R CA -0.171 55.936 56.100 0.010 0.000 1.097 289 R CB 0.242 30.525 30.300 -0.027 0.000 1.343 289 R HN 0.188 nan 8.270 nan 0.000 0.575 290 M N -1.192 118.469 119.600 0.102 0.000 2.509 290 M HA 0.166 4.646 4.480 -0.001 0.000 0.250 290 M C 1.182 177.523 176.300 0.067 0.000 1.132 290 M CA 0.816 56.162 55.300 0.077 0.000 1.080 290 M CB 0.904 33.563 32.600 0.097 0.000 1.408 290 M HN 0.501 nan 8.290 nan 0.000 0.484 291 G N -0.087 108.770 108.800 0.094 0.000 3.465 291 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.196 291 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.196 291 G C 0.989 175.904 174.900 0.026 0.000 1.170 291 G CA 0.237 45.366 45.100 0.048 0.000 0.887 291 G HN 0.400 nan 8.290 nan 0.000 0.444 292 S N 0.283 115.969 115.700 -0.024 0.000 2.474 292 S HA 0.211 4.681 4.470 -0.001 0.000 0.235 292 S C 1.684 176.122 174.600 -0.270 0.000 0.997 292 S CA 1.437 59.528 58.200 -0.181 0.000 0.949 292 S CB -0.428 62.587 63.200 -0.309 0.000 0.766 292 S HN 0.361 nan 8.310 nan 0.000 0.517 293 F N 1.799 121.743 119.950 -0.011 0.000 2.693 293 F HA 0.436 4.962 4.527 -0.001 0.000 0.303 293 F C 1.858 177.650 175.800 -0.012 0.000 1.097 293 F CA -0.053 57.938 58.000 -0.014 0.000 1.330 293 F CB -0.120 38.868 39.000 -0.020 0.000 1.067 293 F HN 0.350 nan 8.300 nan 0.000 0.565 294 G N 1.189 110.061 108.800 0.120 0.000 2.160 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G C -0.084 174.862 174.900 0.077 0.000 1.008 294 G CA 0.088 45.231 45.100 0.073 0.000 0.724 294 G HN 0.315 nan 8.290 nan 0.000 0.514 295 L N 0.185 121.467 121.223 0.099 0.000 2.333 295 L HA 0.856 5.196 4.340 -0.001 0.000 0.269 295 L C 0.525 177.423 176.870 0.047 0.000 1.010 295 L CA -0.388 54.491 54.840 0.065 0.000 0.818 295 L CB 2.272 44.364 42.059 0.055 0.000 1.306 295 L HN 0.431 nan 8.230 nan 0.000 0.430 296 S N -0.530 115.185 115.700 0.025 0.000 2.685 296 S HA 0.546 5.016 4.470 -0.001 0.000 0.282 296 S C -1.143 173.465 174.600 0.013 0.000 1.159 296 S CA -0.792 57.415 58.200 0.012 0.000 0.833 296 S CB 1.678 64.877 63.200 -0.002 0.000 1.151 296 S HN 0.540 nan 8.310 nan 0.000 0.485 297 c N 2.719 121.332 118.600 0.022 0.000 2.265 297 c HA 0.531 5.101 4.570 -0.001 0.000 0.332 297 c C -1.225 172.847 174.090 -0.029 0.000 1.248 297 c CA -1.045 55.333 56.329 0.083 0.000 1.727 297 c CB 0.628 43.226 42.510 0.148 0.000 2.348 297 c HN 0.764 nan 8.230 nan 0.000 0.519 298 P HA -0.103 nan 4.420 nan 0.000 0.221 298 P C 1.177 178.171 177.300 -0.509 0.000 1.145 298 P CA 1.371 64.151 63.100 -0.533 0.000 0.795 298 P CB 0.043 31.147 31.700 -0.993 0.000 0.775 299 W N -0.337 120.939 121.300 -0.040 0.000 3.180 299 W HA 0.177 4.837 4.660 -0.000 0.000 0.254 299 W C 0.614 177.104 176.519 -0.047 0.000 1.318 299 W CA 0.206 57.522 57.345 -0.047 0.000 1.608 299 W CB -0.544 28.879 29.460 -0.062 0.000 1.124 299 W HN 0.116 nan 8.180 nan 0.000 0.694 300 K N -1.247 119.206 120.400 0.087 0.000 3.512 300 K HA -0.178 4.142 4.320 -0.001 0.000 0.309 300 K C -0.328 176.292 176.600 0.033 0.000 1.350 300 K CA 0.571 56.878 56.287 0.033 0.000 0.960 300 K CB -1.922 30.586 32.500 0.012 0.000 1.290 300 K HN -0.112 nan 8.250 nan 0.000 0.454 301 V N 2.004 121.949 119.914 0.052 0.000 2.378 301 V HA 0.338 4.458 4.120 -0.001 0.000 0.288 301 V C -1.790 174.287 176.094 -0.030 0.000 1.016 301 V CA -1.523 60.778 62.300 0.001 0.000 0.840 301 V CB 1.317 33.131 31.823 -0.014 0.000 0.994 301 V HN -0.031 nan 8.190 nan 0.000 0.431 302 P HA 0.448 nan 4.420 nan 0.000 0.278 302 P C -2.865 174.338 177.300 -0.162 0.000 1.258 302 P CA -2.203 60.851 63.100 -0.078 0.000 0.811 302 P CB 0.479 32.150 31.700 -0.048 0.000 1.063 303 P HA 0.256 nan 4.420 nan 0.000 0.272 303 P C -0.293 176.905 177.300 -0.171 0.000 1.223 303 P CA 0.150 63.036 63.100 -0.357 0.000 0.784 303 P CB 0.592 32.022 31.700 -0.451 0.000 0.923 304 R N 0.335 120.747 120.500 -0.147 0.000 2.670 304 R HA 0.420 4.760 4.340 -0.001 0.000 0.289 304 R C -0.237 176.129 176.300 0.110 0.000 0.965 304 R CA -0.687 55.402 56.100 -0.019 0.000 0.899 304 R CB 1.301 31.567 30.300 -0.057 0.000 1.173 304 R HN 0.357 nan 8.270 nan 0.000 0.456 305 T N 3.830 118.439 114.554 0.092 0.000 2.908 305 T HA 0.038 4.388 4.350 -0.001 0.000 0.301 305 T C 0.723 175.419 174.700 -0.008 0.000 1.019 305 T CA 0.143 62.271 62.100 0.046 0.000 1.152 305 T CB 0.134 69.008 68.868 0.010 0.000 0.966 305 T HN 0.190 nan 8.240 nan 0.000 0.540 306 I N 4.046 124.564 120.570 -0.087 0.000 2.496 306 I HA 0.240 4.410 4.170 -0.001 0.000 0.285 306 I C 0.992 177.063 176.117 -0.077 0.000 1.080 306 I CA 0.072 61.319 61.300 -0.087 0.000 1.404 306 I CB 0.269 38.178 38.000 -0.152 0.000 1.403 306 I HN 0.755 nan 8.210 nan 0.000 0.539 307 S N 3.838 119.504 115.700 -0.057 0.000 2.667 307 S HA 0.435 4.905 4.470 -0.001 0.000 0.292 307 S C 0.362 174.933 174.600 -0.047 0.000 1.126 307 S CA -0.767 57.406 58.200 -0.044 0.000 0.881 307 S CB 2.157 65.338 63.200 -0.032 0.000 1.132 307 S HN 0.504 nan 8.310 nan 0.000 0.492 308 D N 0.676 121.057 120.400 -0.031 0.000 2.221 308 D HA -0.063 4.577 4.640 -0.001 0.000 0.204 308 D C 1.517 177.795 176.300 -0.037 0.000 0.982 308 D CA 1.418 55.401 54.000 -0.027 0.000 0.857 308 D CB -0.188 40.609 40.800 -0.005 0.000 0.934 308 D HN 0.539 nan 8.370 nan 0.000 0.475 309 Q N 0.073 119.854 119.800 -0.032 0.000 2.331 309 Q HA -0.010 4.330 4.340 -0.001 0.000 0.203 309 Q C 1.266 177.243 176.000 -0.039 0.000 0.944 309 Q CA 0.770 56.556 55.803 -0.029 0.000 0.892 309 Q CB -0.043 28.683 28.738 -0.019 0.000 0.983 309 Q HN 0.355 nan 8.270 nan 0.000 0.482 310 N N -1.467 117.203 118.700 -0.050 0.000 2.184 310 N HA -0.008 4.731 4.740 -0.001 0.000 0.206 310 N C 1.055 176.517 175.510 -0.079 0.000 1.151 310 N CA 0.099 53.119 53.050 -0.050 0.000 0.878 310 N CB -0.174 38.292 38.487 -0.036 0.000 1.014 310 N HN 0.047 nan 8.380 nan 0.000 0.512 311 V N 0.419 120.252 119.914 -0.135 0.000 2.490 311 V HA -0.066 4.054 4.120 -0.001 0.000 0.250 311 V C 2.235 178.119 176.094 -0.349 0.000 1.061 311 V CA 1.971 64.140 62.300 -0.219 0.000 1.064 311 V CB -0.832 30.843 31.823 -0.247 0.000 0.670 311 V HN 0.434 nan 8.190 nan 0.000 0.461 312 A N -0.101 122.493 122.820 -0.377 0.000 1.877 312 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 312 A C 2.430 180.043 177.584 0.048 0.000 1.186 312 A CA 2.182 54.106 52.037 -0.187 0.000 0.620 312 A CB -1.047 17.940 19.000 -0.021 0.000 0.822 312 A HN 0.789 nan 8.150 nan 0.000 0.443 313 A N -0.569 122.261 122.820 0.016 0.000 1.898 313 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 313 A C 2.237 179.859 177.584 0.064 0.000 1.181 313 A CA 1.347 53.413 52.037 0.049 0.000 0.620 313 A CB -0.437 18.576 19.000 0.021 0.000 0.819 313 A HN 0.418 nan 8.150 nan 0.000 0.442 314 R N 0.123 120.654 120.500 0.052 0.000 2.081 314 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 314 R C 2.397 178.739 176.300 0.070 0.000 1.131 314 R CA 1.607 57.797 56.100 0.149 0.000 0.960 314 R CB -1.001 29.390 30.300 0.152 0.000 0.856 314 R HN 0.530 nan 8.270 nan 0.000 0.436 315 S N 1.311 117.003 115.700 -0.014 0.000 2.383 315 S HA -0.111 4.359 4.470 -0.001 0.000 0.227 315 S C 1.337 175.829 174.600 -0.180 0.000 1.026 315 S CA 1.251 59.355 58.200 -0.159 0.000 0.981 315 S CB -0.192 63.062 63.200 0.090 0.000 0.818 315 S HN 0.265 nan 8.310 nan 0.000 0.472 316 D N 1.613 122.095 120.400 0.136 0.000 2.104 316 D HA -0.074 4.565 4.640 -0.001 0.000 0.194 316 D C 1.896 178.207 176.300 0.019 0.000 0.994 316 D CA 0.887 55.018 54.000 0.218 0.000 0.830 316 D CB -0.395 40.533 40.800 0.213 0.000 0.959 316 D HN 0.293 nan 8.370 nan 0.000 0.452 317 L N -0.072 121.134 121.223 -0.028 0.000 2.056 317 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 317 L C 2.380 179.076 176.870 -0.290 0.000 1.078 317 L CA 0.476 55.278 54.840 -0.063 0.000 0.749 317 L CB -0.186 41.913 42.059 0.068 0.000 0.901 317 L HN 0.073 nan 8.230 nan 0.000 0.433 318 L N -0.900 119.970 121.223 -0.589 0.000 2.044 318 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 318 L C 2.316 178.509 176.870 -1.127 0.000 1.075 318 L CA 1.537 55.697 54.840 -1.133 0.000 0.747 318 L CB -0.320 40.747 42.059 -1.653 0.000 0.903 318 L HN -0.088 nan 8.230 nan 0.000 0.435 319 V N 0.013 119.380 119.914 -0.912 0.000 2.407 319 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 319 V C 2.317 178.243 176.094 -0.279 0.000 1.055 319 V CA 1.932 63.845 62.300 -0.645 0.000 1.049 319 V CB -0.797 30.585 31.823 -0.736 0.000 0.662 319 V HN 0.580 nan 8.190 nan 0.000 0.455 320 D N -0.736 119.569 120.400 -0.158 0.000 2.123 320 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 320 D C 2.240 178.525 176.300 -0.025 0.000 0.992 320 D CA 1.259 55.279 54.000 0.032 0.000 0.833 320 D CB -0.017 40.854 40.800 0.117 0.000 0.954 320 D HN 0.304 nan 8.370 nan 0.000 0.455 321 Q N -0.471 119.246 119.800 -0.139 0.000 2.061 321 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 321 Q C 2.204 178.228 176.000 0.040 0.000 0.984 321 Q CA 1.064 56.808 55.803 -0.098 0.000 0.846 321 Q CB -0.700 27.919 28.738 -0.199 0.000 0.902 321 Q HN 0.546 nan 8.270 nan 0.000 0.421 322 W N 1.521 122.717 121.300 -0.173 0.000 2.335 322 W HA -0.131 4.528 4.660 -0.001 0.000 0.311 322 W C 2.131 178.538 176.519 -0.188 0.000 1.213 322 W CA 0.863 58.105 57.345 -0.172 0.000 1.274 322 W CB -0.721 28.605 29.460 -0.223 0.000 1.148 322 W HN 0.230 nan 8.180 nan 0.000 0.498 323 K N 0.081 120.444 120.400 -0.062 0.000 2.148 323 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 323 K C 1.953 178.406 176.600 -0.245 0.000 1.050 323 K CA 1.236 57.328 56.287 -0.326 0.000 0.942 323 K CB -0.215 31.757 32.500 -0.879 0.000 0.724 323 K HN 0.094 nan 8.250 nan 0.000 0.446 324 K N 1.056 121.403 120.400 -0.088 0.000 2.002 324 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 324 K C 2.124 178.799 176.600 0.125 0.000 1.048 324 K CA 1.279 57.640 56.287 0.122 0.000 0.930 324 K CB -0.059 32.526 32.500 0.142 0.000 0.714 324 K HN 0.005 nan 8.250 nan 0.000 0.438 325 K N 0.792 121.272 120.400 0.133 0.000 2.074 325 K HA -0.174 4.146 4.320 -0.001 0.000 0.209 325 K C 2.046 178.774 176.600 0.214 0.000 1.048 325 K CA 1.411 57.808 56.287 0.184 0.000 0.926 325 K CB -0.135 32.490 32.500 0.209 0.000 0.713 325 K HN 0.174 nan 8.250 nan 0.000 0.444 326 A N 1.132 124.053 122.820 0.169 0.000 2.019 326 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 326 A C 1.712 179.463 177.584 0.280 0.000 1.164 326 A CA 1.351 53.519 52.037 0.218 0.000 0.644 326 A CB -0.319 18.758 19.000 0.127 0.000 0.805 326 A HN 0.312 nan 8.150 nan 0.000 0.449 327 E N -0.008 120.335 120.200 0.239 0.000 2.333 327 E HA -0.086 4.264 4.350 -0.001 0.000 0.198 327 E C 1.580 178.311 176.600 0.218 0.000 1.007 327 E CA 0.634 57.186 56.400 0.253 0.000 0.845 327 E CB -0.228 29.646 29.700 0.290 0.000 0.766 327 E HN 0.718 nan 8.360 nan 0.000 0.507 328 L N -0.568 120.744 121.223 0.149 0.000 2.591 328 L HA 0.044 4.383 4.340 -0.001 0.000 0.228 328 L C 0.144 176.812 176.870 -0.336 0.000 1.133 328 L CA 0.259 55.053 54.840 -0.078 0.000 0.880 328 L CB -0.044 41.852 42.059 -0.271 0.000 1.033 328 L HN -0.000 nan 8.230 nan 0.000 0.450 329 Y N -1.785 118.603 120.300 0.146 0.000 2.605 329 Y HA 0.370 4.920 4.550 -0.001 0.000 0.343 329 Y C 1.058 177.075 175.900 0.196 0.000 1.036 329 Y CA -0.985 57.220 58.100 0.175 0.000 1.065 329 Y CB 1.272 39.845 38.460 0.190 0.000 1.288 329 Y HN -0.286 nan 8.280 nan 0.000 0.481 330 R N -0.494 120.247 120.500 0.401 0.000 2.254 330 R HA 0.080 4.419 4.340 -0.001 0.000 0.195 330 R C 0.383 176.813 176.300 0.217 0.000 0.957 330 R CA 0.812 57.056 56.100 0.240 0.000 1.024 330 R CB 0.253 30.624 30.300 0.119 0.000 0.952 330 R HN 0.756 nan 8.270 nan 0.000 0.484 331 T N -0.965 113.759 114.554 0.284 0.000 2.922 331 T HA 0.105 4.454 4.350 -0.001 0.000 0.281 331 T C 0.615 175.458 174.700 0.238 0.000 1.005 331 T CA -0.949 61.285 62.100 0.223 0.000 0.982 331 T CB 1.231 70.211 68.868 0.186 0.000 1.158 331 T HN 0.077 nan 8.240 nan 0.000 0.566 332 N N 0.093 118.908 118.700 0.192 0.000 2.327 332 N HA 0.133 4.872 4.740 -0.001 0.000 0.231 332 N C -0.673 174.813 175.510 -0.039 0.000 1.130 332 N CA -0.356 52.764 53.050 0.116 0.000 0.845 332 N CB -0.165 38.329 38.487 0.011 0.000 1.073 332 N HN 0.377 nan 8.380 nan 0.000 0.496 333 V N 1.283 121.209 119.914 0.021 0.000 2.409 333 V HA 0.423 4.543 4.120 -0.001 0.000 0.291 333 V C -0.603 175.567 176.094 0.128 0.000 1.020 333 V CA -0.978 61.333 62.300 0.018 0.000 0.848 333 V CB 1.520 33.335 31.823 -0.013 0.000 0.990 333 V HN 0.183 nan 8.190 nan 0.000 0.430 334 L N 5.798 127.035 121.223 0.024 0.000 2.362 334 L HA 0.686 5.025 4.340 -0.001 0.000 0.275 334 L C -0.888 175.836 176.870 -0.244 0.000 0.998 334 L CA -0.483 54.290 54.840 -0.112 0.000 0.820 334 L CB 1.667 43.556 42.059 -0.284 0.000 1.270 334 L HN 0.630 nan 8.230 nan 0.000 0.415 335 L N 6.371 127.237 121.223 -0.595 0.000 2.265 335 L HA 0.552 4.892 4.340 -0.001 0.000 0.288 335 L C -0.983 175.592 176.870 -0.491 0.000 1.058 335 L CA 0.147 54.483 54.840 -0.840 0.000 0.809 335 L CB 0.751 41.824 42.059 -1.642 0.000 1.179 335 L HN 0.443 nan 8.230 nan 0.000 0.429 336 I N 7.382 127.746 120.570 -0.344 0.000 2.502 336 I HA 0.333 4.503 4.170 -0.001 0.000 0.276 336 I C -2.274 173.820 176.117 -0.037 0.000 1.057 336 I CA -2.029 59.166 61.300 -0.176 0.000 1.163 336 I CB 0.985 38.851 38.000 -0.223 0.000 1.288 336 I HN 0.422 nan 8.210 nan 0.000 0.479 337 P HA 0.117 nan 4.420 nan 0.000 0.266 337 P C -0.413 177.064 177.300 0.294 0.000 1.195 337 P CA -0.161 63.073 63.100 0.223 0.000 0.768 337 P CB 0.776 32.657 31.700 0.302 0.000 0.838 338 L N 3.311 124.741 121.223 0.345 0.000 2.454 338 L HA 0.756 5.095 4.340 -0.001 0.000 0.258 338 L C -0.079 176.858 176.870 0.111 0.000 1.025 338 L CA 0.377 55.346 54.840 0.216 0.000 0.901 338 L CB 0.409 42.527 42.059 0.099 0.000 1.210 338 L HN 0.597 nan 8.230 nan 0.000 0.457 339 G N 1.627 110.367 108.800 -0.100 0.000 2.430 339 G HA2 0.496 4.455 3.960 -0.001 0.000 0.300 339 G HA3 0.496 4.455 3.960 -0.001 0.000 0.300 339 G C -2.182 172.590 174.900 -0.213 0.000 1.330 339 G CA -0.225 44.559 45.100 -0.527 0.000 0.813 339 G HN 0.383 nan 8.290 nan 0.000 0.487 340 D N -1.798 118.543 120.400 -0.098 0.000 2.879 340 D HA 0.299 4.939 4.640 -0.001 0.000 0.346 340 D C -1.566 174.872 176.300 0.231 0.000 1.390 340 D CA -0.461 53.667 54.000 0.213 0.000 0.838 340 D CB 1.288 42.167 40.800 0.132 0.000 1.416 340 D HN 0.224 nan 8.370 nan 0.000 0.493 341 D N 0.394 120.989 120.400 0.326 0.000 2.417 341 D HA 0.232 4.872 4.640 -0.001 0.000 0.250 341 D C 0.167 176.635 176.300 0.280 0.000 1.166 341 D CA 0.494 54.680 54.000 0.310 0.000 0.881 341 D CB -0.286 40.797 40.800 0.471 0.000 1.164 341 D HN 0.338 nan 8.370 nan 0.000 0.467 342 F N 0.351 120.367 119.950 0.110 0.000 3.090 342 F HA -0.308 4.219 4.527 -0.001 0.000 0.282 342 F C 1.083 176.919 175.800 0.060 0.000 0.923 342 F CA 0.573 58.610 58.000 0.061 0.000 0.977 342 F CB -0.942 38.079 39.000 0.035 0.000 0.954 342 F HN 0.251 nan 8.300 nan 0.000 0.695 343 R N -0.437 120.150 120.500 0.144 0.000 2.652 343 R HA 0.428 4.767 4.340 -0.001 0.000 0.271 343 R C 0.749 177.076 176.300 0.046 0.000 1.129 343 R CA -0.592 55.479 56.100 -0.048 0.000 1.200 343 R CB -0.134 30.022 30.300 -0.240 0.000 1.146 343 R HN 0.200 nan 8.270 nan 0.000 0.581 344 F N -0.838 118.943 119.950 -0.281 0.000 3.071 344 F HA -0.264 4.263 4.527 -0.001 0.000 0.295 344 F C 1.373 177.131 175.800 -0.069 0.000 0.919 344 F CA 1.029 58.672 58.000 -0.594 0.000 1.050 344 F CB -1.112 37.231 39.000 -1.095 0.000 1.040 344 F HN 0.610 nan 8.300 nan 0.000 0.692 345 K N -0.110 120.348 120.400 0.097 0.000 2.128 345 K HA 0.066 4.386 4.320 -0.001 0.000 0.202 345 K C 0.715 177.460 176.600 0.242 0.000 1.050 345 K CA 0.871 57.286 56.287 0.213 0.000 0.966 345 K CB 0.276 32.869 32.500 0.156 0.000 0.759 345 K HN 0.469 nan 8.250 nan 0.000 0.454 346 Q N 0.536 120.458 119.800 0.204 0.000 2.266 346 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 346 Q C 0.135 176.329 176.000 0.323 0.000 0.985 346 Q CA -0.594 55.347 55.803 0.231 0.000 0.873 346 Q CB 1.633 30.516 28.738 0.242 0.000 1.306 346 Q HN 0.198 nan 8.270 nan 0.000 0.447 347 N N 0.660 119.515 118.700 0.258 0.000 2.104 347 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 347 N C 1.650 177.311 175.510 0.251 0.000 1.024 347 N CA 2.202 55.399 53.050 0.244 0.000 0.853 347 N CB -0.220 38.361 38.487 0.157 0.000 1.008 347 N HN 0.709 nan 8.380 nan 0.000 0.424 348 T N -0.813 113.887 114.554 0.244 0.000 2.833 348 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 348 T C 1.715 176.615 174.700 0.334 0.000 1.054 348 T CA 1.197 63.464 62.100 0.279 0.000 1.135 348 T CB -0.149 68.873 68.868 0.257 0.000 0.869 348 T HN 0.350 nan 8.240 nan 0.000 0.466 349 E N -0.195 120.151 120.200 0.242 0.000 2.072 349 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 349 E C 1.837 178.346 176.600 -0.151 0.000 0.982 349 E CA 0.713 57.018 56.400 -0.159 0.000 0.803 349 E CB -0.243 29.180 29.700 -0.461 0.000 0.755 349 E HN 0.703 nan 8.360 nan 0.000 0.453 350 W N 1.782 122.998 121.300 -0.139 0.000 2.335 350 W HA -0.199 4.460 4.660 -0.001 0.000 0.311 350 W C 2.133 178.512 176.519 -0.232 0.000 1.213 350 W CA 1.306 58.475 57.345 -0.294 0.000 1.274 350 W CB -0.291 28.622 29.460 -0.912 0.000 1.148 350 W HN 0.185 nan 8.180 nan 0.000 0.498 351 D N -0.586 119.900 120.400 0.143 0.000 2.097 351 D HA -0.169 4.471 4.640 -0.001 0.000 0.195 351 D C 2.290 178.685 176.300 0.159 0.000 0.989 351 D CA 1.430 55.568 54.000 0.230 0.000 0.827 351 D CB -0.945 39.992 40.800 0.229 0.000 0.966 351 D HN 0.024 nan 8.370 nan 0.000 0.456 352 V N 0.905 120.896 119.914 0.128 0.000 2.427 352 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 352 V C 2.206 178.336 176.094 0.060 0.000 1.051 352 V CA 1.543 63.898 62.300 0.092 0.000 1.048 352 V CB -0.063 31.861 31.823 0.168 0.000 0.666 352 V HN 0.151 nan 8.190 nan 0.000 0.456 353 Q N -0.226 119.646 119.800 0.120 0.000 2.020 353 Q HA -0.200 4.140 4.340 -0.001 0.000 0.198 353 Q C 2.351 178.559 176.000 0.346 0.000 0.974 353 Q CA 1.990 57.961 55.803 0.280 0.000 0.829 353 Q CB -0.532 28.345 28.738 0.232 0.000 0.894 353 Q HN 0.617 nan 8.270 nan 0.000 0.433 354 R N 0.525 121.198 120.500 0.289 0.000 2.083 354 R HA -0.117 4.223 4.340 -0.001 0.000 0.237 354 R C 2.254 178.732 176.300 0.297 0.000 1.137 354 R CA 1.463 57.781 56.100 0.364 0.000 0.951 354 R CB -0.115 30.394 30.300 0.349 0.000 0.851 354 R HN 0.068 nan 8.270 nan 0.000 0.434 355 V N 1.917 121.924 119.914 0.155 0.000 2.358 355 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 355 V C 2.024 178.065 176.094 -0.089 0.000 1.047 355 V CA 1.896 64.230 62.300 0.056 0.000 1.035 355 V CB -0.606 31.239 31.823 0.037 0.000 0.658 355 V HN 0.444 nan 8.190 nan 0.000 0.452 356 N N -0.742 117.796 118.700 -0.269 0.000 2.142 356 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 356 N C 1.867 177.058 175.510 -0.531 0.000 1.023 356 N CA 1.599 54.274 53.050 -0.625 0.000 0.852 356 N CB -0.313 37.212 38.487 -1.604 0.000 0.998 356 N HN 0.520 nan 8.380 nan 0.000 0.424 357 Y N 2.005 122.118 120.300 -0.311 0.000 2.181 357 Y HA -0.101 4.448 4.550 -0.001 0.000 0.288 357 Y C 2.383 177.764 175.900 -0.865 0.000 1.146 357 Y CA 1.123 58.917 58.100 -0.509 0.000 1.164 357 Y CB -0.152 38.118 38.460 -0.316 0.000 0.982 357 Y HN 0.135 nan 8.280 nan 0.000 0.515 358 E N -0.228 119.823 120.200 -0.247 0.000 2.118 358 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 358 E C 2.211 178.754 176.600 -0.096 0.000 0.992 358 E CA 1.127 57.462 56.400 -0.109 0.000 0.804 358 E CB -0.159 29.614 29.700 0.121 0.000 0.741 358 E HN 0.469 nan 8.360 nan 0.000 0.458 359 R N 0.317 120.741 120.500 -0.126 0.000 2.092 359 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 359 R C 2.452 178.717 176.300 -0.058 0.000 1.119 359 R CA 0.844 56.901 56.100 -0.073 0.000 0.970 359 R CB -0.261 29.979 30.300 -0.100 0.000 0.864 359 R HN 0.168 nan 8.270 nan 0.000 0.440 360 L N -0.338 120.780 121.223 -0.176 0.000 2.017 360 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 360 L C 2.144 179.058 176.870 0.073 0.000 1.073 360 L CA 1.148 55.922 54.840 -0.110 0.000 0.745 360 L CB -0.430 41.472 42.059 -0.261 0.000 0.894 360 L HN 0.064 nan 8.230 nan 0.000 0.432 361 F N 0.331 120.294 119.950 0.023 0.000 2.095 361 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 361 F C 2.644 178.451 175.800 0.011 0.000 1.104 361 F CA 1.379 59.380 58.000 0.001 0.000 1.232 361 F CB -1.043 37.917 39.000 -0.066 0.000 0.987 361 F HN 0.204 nan 8.300 nan 0.000 0.475 362 E N -0.740 119.588 120.200 0.214 0.000 2.058 362 E HA -0.298 4.052 4.350 -0.001 0.000 0.194 362 E C 2.226 178.909 176.600 0.139 0.000 0.997 362 E CA 1.564 58.050 56.400 0.144 0.000 0.801 362 E CB -0.247 29.520 29.700 0.113 0.000 0.746 362 E HN 0.509 nan 8.360 nan 0.000 0.450 363 H N 0.198 119.315 119.070 0.079 0.000 2.293 363 H HA -0.063 4.492 4.556 -0.001 0.000 0.300 363 H C 2.056 177.466 175.328 0.137 0.000 1.082 363 H CA 2.229 58.335 56.048 0.096 0.000 1.308 363 H CB -0.192 29.622 29.762 0.088 0.000 1.375 363 H HN 0.152 nan 8.280 nan 0.000 0.495 364 I N 0.387 121.030 120.570 0.121 0.000 2.226 364 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 364 I C 1.671 177.816 176.117 0.047 0.000 1.100 364 I CA 1.299 62.634 61.300 0.059 0.000 1.374 364 I CB -0.278 37.691 38.000 -0.052 0.000 1.057 364 I HN 0.369 nan 8.210 nan 0.000 0.413 365 N N 0.266 118.984 118.700 0.030 0.000 2.396 365 N HA -0.105 4.635 4.740 -0.001 0.000 0.180 365 N C 1.849 177.342 175.510 -0.028 0.000 1.028 365 N CA 1.481 54.523 53.050 -0.012 0.000 0.893 365 N CB -0.213 38.261 38.487 -0.022 0.000 0.967 365 N HN 0.393 nan 8.380 nan 0.000 0.440 366 S N -0.851 114.826 115.700 -0.039 0.000 2.535 366 S HA 0.133 4.603 4.470 -0.001 0.000 0.214 366 S C 0.550 175.093 174.600 -0.094 0.000 0.980 366 S CA -0.171 57.997 58.200 -0.054 0.000 0.907 366 S CB 0.240 63.420 63.200 -0.032 0.000 0.790 366 S HN -0.022 nan 8.310 nan 0.000 0.510 367 Q N 1.497 121.205 119.800 -0.152 0.000 2.441 367 Q HA 0.525 4.865 4.340 -0.001 0.000 0.234 367 Q C 1.087 176.933 176.000 -0.256 0.000 1.078 367 Q CA 0.167 55.827 55.803 -0.239 0.000 0.907 367 Q CB 1.010 29.465 28.738 -0.472 0.000 1.269 367 Q HN 0.462 nan 8.270 nan 0.000 0.502 368 A N 2.751 125.501 122.820 -0.118 0.000 1.958 368 A HA -0.290 4.030 4.320 -0.001 0.000 0.221 368 A C 1.654 179.183 177.584 -0.091 0.000 1.178 368 A CA 2.297 54.288 52.037 -0.077 0.000 0.642 368 A CB -0.779 18.204 19.000 -0.028 0.000 0.816 368 A HN 0.902 nan 8.150 nan 0.000 0.453 369 H N -3.540 115.455 119.070 -0.125 0.000 2.489 369 H HA -0.055 4.500 4.556 -0.001 0.000 0.295 369 H C 1.422 176.696 175.328 -0.090 0.000 1.082 369 H CA 1.530 57.493 56.048 -0.142 0.000 1.295 369 H CB -0.563 29.061 29.762 -0.231 0.000 1.380 369 H HN 0.418 nan 8.280 nan 0.000 0.548 370 F N 0.904 120.582 119.950 -0.453 0.000 2.293 370 F HA 0.012 4.539 4.527 -0.001 0.000 0.297 370 F C 0.805 176.552 175.800 -0.089 0.000 1.089 370 F CA 0.702 58.569 58.000 -0.222 0.000 1.377 370 F CB -0.311 38.524 39.000 -0.275 0.000 1.051 370 F HN 0.182 nan 8.300 nan 0.000 0.511 371 N N 0.521 119.268 118.700 0.077 0.000 2.725 371 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 371 N C -1.014 174.480 175.510 -0.027 0.000 1.031 371 N CA 0.466 53.540 53.050 0.040 0.000 0.720 371 N CB -1.509 37.044 38.487 0.109 0.000 0.930 371 N HN 0.023 nan 8.380 nan 0.000 0.543 372 V N 0.658 120.549 119.914 -0.038 0.000 2.680 372 V HA 0.397 4.517 4.120 -0.001 0.000 0.309 372 V C 0.211 176.220 176.094 -0.143 0.000 1.052 372 V CA -0.651 61.573 62.300 -0.127 0.000 0.908 372 V CB 2.429 34.206 31.823 -0.076 0.000 1.001 372 V HN 0.151 nan 8.190 nan 0.000 0.431 373 Q N 3.129 122.787 119.800 -0.236 0.000 2.363 373 Q HA 0.734 5.073 4.340 -0.001 0.000 0.265 373 Q C -0.717 175.026 176.000 -0.429 0.000 1.032 373 Q CA -0.143 55.496 55.803 -0.273 0.000 0.746 373 Q CB 1.489 30.072 28.738 -0.259 0.000 1.237 373 Q HN 0.982 nan 8.270 nan 0.000 0.475 374 A N 4.190 126.746 122.820 -0.440 0.000 2.325 374 A HA 0.917 5.237 4.320 -0.001 0.000 0.333 374 A C -1.083 175.818 177.584 -1.137 0.000 1.155 374 A CA -0.460 51.143 52.037 -0.723 0.000 0.814 374 A CB 1.096 19.846 19.000 -0.417 0.000 1.206 374 A HN 0.763 nan 8.150 nan 0.000 0.482 375 Q N 0.999 120.028 119.800 -1.285 0.000 2.578 375 Q HA 0.403 4.743 4.340 -0.001 0.000 0.284 375 Q C -1.698 173.871 176.000 -0.717 0.000 0.960 375 Q CA -0.695 54.401 55.803 -1.179 0.000 0.809 375 Q CB 0.387 28.801 28.738 -0.539 0.000 1.462 375 Q HN 0.375 nan 8.270 nan 0.000 0.392 376 F N 0.623 120.497 119.950 -0.127 0.000 2.563 376 F HA 0.603 5.129 4.527 -0.001 0.000 0.363 376 F C 1.278 177.129 175.800 0.085 0.000 1.123 376 F CA 1.523 59.566 58.000 0.073 0.000 1.307 376 F CB 0.770 39.867 39.000 0.162 0.000 1.115 376 F HN 0.745 nan 8.300 nan 0.000 0.592 377 G N 0.356 109.341 108.800 0.308 0.000 2.727 377 G HA2 0.617 4.577 3.960 -0.001 0.000 0.289 377 G HA3 0.617 4.577 3.960 -0.001 0.000 0.289 377 G C -1.047 173.848 174.900 -0.009 0.000 1.418 377 G CA -0.611 44.598 45.100 0.181 0.000 0.818 377 G HN 0.716 nan 8.290 nan 0.000 0.486 378 T N -1.921 112.544 114.554 -0.148 0.000 2.937 378 T HA 0.474 4.824 4.350 -0.001 0.000 0.283 378 T C 1.267 175.801 174.700 -0.277 0.000 1.012 378 T CA -0.475 61.502 62.100 -0.204 0.000 0.997 378 T CB 1.510 70.274 68.868 -0.173 0.000 1.136 378 T HN 0.516 nan 8.240 nan 0.000 0.551 379 L N 0.540 121.602 121.223 -0.268 0.000 2.027 379 L HA 0.042 4.382 4.340 -0.001 0.000 0.206 379 L C 2.795 179.617 176.870 -0.080 0.000 1.074 379 L CA 1.973 56.683 54.840 -0.217 0.000 0.745 379 L CB -1.184 40.787 42.059 -0.147 0.000 0.898 379 L HN 0.898 nan 8.230 nan 0.000 0.433 380 Q N -0.038 119.746 119.800 -0.026 0.000 2.135 380 Q HA -0.235 4.105 4.340 -0.001 0.000 0.204 380 Q C 2.094 178.028 176.000 -0.109 0.000 0.981 380 Q CA 2.050 57.871 55.803 0.031 0.000 0.856 380 Q CB -0.195 28.534 28.738 -0.015 0.000 0.902 380 Q HN 0.624 nan 8.270 nan 0.000 0.425 381 E N -1.196 118.843 120.200 -0.269 0.000 2.085 381 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 381 E C 1.723 177.880 176.600 -0.740 0.000 0.994 381 E CA 1.221 57.334 56.400 -0.478 0.000 0.801 381 E CB -0.325 29.000 29.700 -0.626 0.000 0.743 381 E HN 0.480 nan 8.360 nan 0.000 0.453 382 Y N 0.583 120.347 120.300 -0.894 0.000 2.097 382 Y HA -0.279 4.271 4.550 -0.001 0.000 0.282 382 Y C 1.904 177.520 175.900 -0.474 0.000 1.152 382 Y CA 1.689 59.310 58.100 -0.798 0.000 1.136 382 Y CB -0.513 37.491 38.460 -0.759 0.000 0.975 382 Y HN -0.054 nan 8.280 nan 0.000 0.498 383 F N 0.805 120.509 119.950 -0.410 0.000 2.186 383 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 383 F C 2.215 177.791 175.800 -0.374 0.000 1.090 383 F CA 1.649 59.377 58.000 -0.454 0.000 1.307 383 F CB -0.748 38.180 39.000 -0.121 0.000 1.019 383 F HN 0.102 nan 8.300 nan 0.000 0.489 384 D N 0.069 120.424 120.400 -0.075 0.000 2.117 384 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 384 D C 2.369 178.598 176.300 -0.117 0.000 0.987 384 D CA 1.485 55.448 54.000 -0.061 0.000 0.829 384 D CB -0.583 40.169 40.800 -0.079 0.000 0.961 384 D HN 0.238 nan 8.370 nan 0.000 0.460 385 A N 0.527 123.223 122.820 -0.206 0.000 1.898 385 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 385 A C 2.534 180.001 177.584 -0.195 0.000 1.181 385 A CA 0.998 52.955 52.037 -0.133 0.000 0.620 385 A CB -0.700 18.299 19.000 -0.003 0.000 0.819 385 A HN 0.131 nan 8.150 nan 0.000 0.442 386 V N 0.002 119.664 119.914 -0.420 0.000 2.287 386 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 386 V C 2.446 178.351 176.094 -0.316 0.000 1.053 386 V CA 2.201 64.244 62.300 -0.429 0.000 1.027 386 V CB -1.044 30.343 31.823 -0.726 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.214 118.744 119.070 -0.188 0.000 2.457 387 H HA -0.092 4.463 4.556 -0.001 0.000 0.294 387 H C 2.423 177.717 175.328 -0.058 0.000 1.064 387 H CA 1.430 57.396 56.048 -0.137 0.000 1.330 387 H CB -0.134 29.506 29.762 -0.203 0.000 1.395 387 H HN 0.563 nan 8.280 nan 0.000 0.541 388 Q N 0.286 120.103 119.800 0.029 0.000 2.084 388 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 388 Q C 2.562 178.580 176.000 0.031 0.000 0.978 388 Q CA 1.399 57.215 55.803 0.023 0.000 0.844 388 Q CB -0.029 28.712 28.738 0.005 0.000 0.898 388 Q HN 0.411 nan 8.270 nan 0.000 0.426 389 A N 1.023 123.857 122.820 0.023 0.000 1.898 389 A HA -0.255 4.064 4.320 -0.001 0.000 0.216 389 A C 1.948 179.564 177.584 0.053 0.000 1.181 389 A CA 1.558 53.623 52.037 0.046 0.000 0.620 389 A CB -0.553 18.479 19.000 0.053 0.000 0.819 389 A HN 0.434 nan 8.150 nan 0.000 0.442 390 E N -0.188 120.061 120.200 0.081 0.000 2.058 390 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 390 E C 2.242 178.883 176.600 0.070 0.000 0.997 390 E CA 1.319 57.780 56.400 0.101 0.000 0.801 390 E CB -0.129 29.739 29.700 0.280 0.000 0.746 390 E HN 0.585 nan 8.360 nan 0.000 0.450 391 R N -0.291 120.251 120.500 0.071 0.000 2.148 391 R HA -0.029 4.311 4.340 -0.001 0.000 0.227 391 R C 2.181 178.499 176.300 0.031 0.000 1.103 391 R CA 0.791 56.918 56.100 0.045 0.000 0.983 391 R CB -0.149 30.173 30.300 0.036 0.000 0.874 391 R HN 0.130 nan 8.270 nan 0.000 0.451 392 A N 0.438 123.277 122.820 0.032 0.000 2.239 392 A HA 0.108 4.428 4.320 -0.001 0.000 0.209 392 A C 1.428 179.023 177.584 0.019 0.000 1.171 392 A CA 0.909 52.962 52.037 0.027 0.000 0.768 392 A CB -0.355 18.667 19.000 0.037 0.000 0.790 392 A HN 0.468 nan 8.150 nan 0.000 0.478 393 G N -0.486 108.322 108.800 0.015 0.000 2.143 393 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.248 393 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.248 393 G C 0.689 175.583 174.900 -0.010 0.000 0.991 393 G CA 0.757 45.856 45.100 -0.000 0.000 0.689 393 G HN 1.024 nan 8.290 nan 0.000 0.522 394 Q N -0.870 118.930 119.800 -0.001 0.000 2.425 394 Q HA 0.666 5.006 4.340 -0.001 0.000 0.204 394 Q C 0.865 176.843 176.000 -0.038 0.000 0.933 394 Q CA 1.140 56.944 55.803 0.002 0.000 0.939 394 Q CB 0.432 29.205 28.738 0.059 0.000 1.044 394 Q HN 1.649 nan 8.270 nan 0.000 0.513 395 A N 1.149 123.906 122.820 -0.106 0.000 2.604 395 A HA 0.518 4.837 4.320 -0.001 0.000 0.295 395 A C -1.677 175.687 177.584 -0.366 0.000 1.067 395 A CA -0.968 50.914 52.037 -0.258 0.000 0.683 395 A CB 1.279 20.058 19.000 -0.369 0.000 1.281 395 A HN 0.369 nan 8.150 nan 0.000 0.407 396 E N 0.766 120.732 120.200 -0.391 0.000 2.256 396 E HA 0.767 5.117 4.350 -0.001 0.000 0.267 396 E C -1.696 174.677 176.600 -0.378 0.000 0.892 396 E CA -0.590 55.633 56.400 -0.295 0.000 0.775 396 E CB 1.831 31.482 29.700 -0.082 0.000 1.207 396 E HN 0.335 nan 8.360 nan 0.000 0.420 397 F N 1.456 121.513 119.950 0.178 0.000 2.480 397 F HA 0.413 4.940 4.527 -0.000 0.000 0.329 397 F C -1.915 173.988 175.800 0.172 0.000 1.091 397 F CA -2.332 55.797 58.000 0.215 0.000 0.972 397 F CB 1.274 40.482 39.000 0.345 0.000 1.150 397 F HN 0.336 nan 8.300 nan 0.000 0.467 398 P HA 0.193 nan 4.420 nan 0.000 0.274 398 P C -0.653 176.789 177.300 0.237 0.000 1.237 398 P CA -0.372 62.860 63.100 0.220 0.000 0.793 398 P CB 0.930 32.728 31.700 0.163 0.000 0.977 399 T N -0.496 114.150 114.554 0.152 0.000 2.907 399 T HA 0.680 5.030 4.350 -0.001 0.000 0.284 399 T C -0.262 174.470 174.700 0.053 0.000 1.004 399 T CA -0.795 61.387 62.100 0.137 0.000 1.063 399 T CB 1.064 69.989 68.868 0.096 0.000 0.992 399 T HN 0.458 nan 8.240 nan 0.000 0.483 400 L N 1.669 122.923 121.223 0.051 0.000 2.472 400 L HA 0.721 5.060 4.340 -0.001 0.000 0.260 400 L C -0.702 176.162 176.870 -0.010 0.000 0.963 400 L CA -0.407 54.356 54.840 -0.129 0.000 0.829 400 L CB 2.205 43.950 42.059 -0.523 0.000 1.348 400 L HN 1.116 nan 8.230 nan 0.000 0.408 401 S N 2.382 118.030 115.700 -0.087 0.000 2.627 401 S HA 1.062 5.531 4.470 -0.001 0.000 0.283 401 S C -0.350 174.176 174.600 -0.123 0.000 1.127 401 S CA -0.042 58.163 58.200 0.009 0.000 0.863 401 S CB 2.050 65.220 63.200 -0.050 0.000 1.121 401 S HN 1.694 nan 8.310 nan 0.000 0.479 402 G N 0.958 109.742 108.800 -0.027 0.000 2.343 402 G HA2 0.327 4.287 3.960 -0.001 0.000 0.562 402 G HA3 0.327 4.287 3.960 -0.001 0.000 0.562 402 G C -1.787 173.013 174.900 -0.167 0.000 1.269 402 G CA -0.023 44.960 45.100 -0.194 0.000 1.011 402 G HN 1.267 nan 8.290 nan 0.000 0.498 403 D N -1.765 118.410 120.400 -0.375 0.000 2.654 403 D HA 0.758 5.397 4.640 -0.001 0.000 0.255 403 D C -0.595 175.198 176.300 -0.845 0.000 1.101 403 D CA -1.061 52.728 54.000 -0.351 0.000 1.116 403 D CB 1.103 41.886 40.800 -0.028 0.000 1.348 403 D HN 0.368 nan 8.370 nan 0.000 0.609 404 F N -0.502 119.321 119.950 -0.211 0.000 2.679 404 F HA 0.399 4.926 4.527 -0.001 0.000 0.354 404 F C -0.964 174.652 175.800 -0.306 0.000 1.423 404 F CA -0.640 57.232 58.000 -0.213 0.000 1.141 404 F CB 0.139 39.044 39.000 -0.160 0.000 1.168 404 F HN 0.008 nan 8.300 nan 0.000 0.530 405 F N -0.806 119.323 119.950 0.299 0.000 2.561 405 F HA 0.569 5.096 4.527 -0.001 0.000 0.321 405 F C 0.590 176.649 175.800 0.432 0.000 1.065 405 F CA -1.387 56.860 58.000 0.411 0.000 0.934 405 F CB 1.531 40.770 39.000 0.398 0.000 1.215 405 F HN -0.294 nan 8.300 nan 0.000 0.471 406 T N 1.640 116.582 114.554 0.647 0.000 2.806 406 T HA 0.151 4.501 4.350 -0.001 0.000 0.290 406 T C -0.953 174.212 174.700 0.774 0.000 0.966 406 T CA -0.180 62.367 62.100 0.745 0.000 1.060 406 T CB 0.131 69.315 68.868 0.526 0.000 0.927 406 T HN 0.369 nan 8.240 nan 0.000 0.485 407 Y N 3.083 123.712 120.300 0.548 0.000 2.511 407 Y HA 0.405 4.955 4.550 -0.001 0.000 0.332 407 Y C -0.094 175.851 175.900 0.075 0.000 1.177 407 Y CA -1.151 57.094 58.100 0.242 0.000 1.422 407 Y CB 0.015 38.493 38.460 0.030 0.000 1.271 407 Y HN 0.681 nan 8.280 nan 0.000 0.550 408 A N 5.206 127.639 122.820 -0.645 0.000 2.371 408 A HA 0.377 4.697 4.320 -0.001 0.000 0.311 408 A C 0.034 177.045 177.584 -0.955 0.000 1.068 408 A CA -0.253 51.218 52.037 -0.942 0.000 0.744 408 A CB 0.699 18.867 19.000 -1.386 0.000 1.239 408 A HN 0.803 nan 8.150 nan 0.000 0.435 409 D N 1.380 121.365 120.400 -0.692 0.000 2.346 409 D HA 0.054 4.693 4.640 -0.001 0.000 0.206 409 D C 0.485 176.817 176.300 0.053 0.000 1.001 409 D CA 0.442 54.289 54.000 -0.255 0.000 0.871 409 D CB 0.169 40.913 40.800 -0.094 0.000 0.943 409 D HN 0.717 nan 8.370 nan 0.000 0.518 410 R N -2.179 118.288 120.500 -0.056 0.000 2.664 410 R HA 0.392 4.732 4.340 -0.001 0.000 0.260 410 R C -0.212 175.992 176.300 -0.159 0.000 1.062 410 R CA -0.185 55.726 56.100 -0.316 0.000 0.902 410 R CB 0.749 30.927 30.300 -0.204 0.000 1.258 410 R HN -0.115 nan 8.270 nan 0.000 0.465 411 S N 0.376 115.927 115.700 -0.248 0.000 3.927 411 S HA -0.295 4.175 4.470 -0.001 0.000 0.618 411 S C 0.373 175.067 174.600 0.156 0.000 2.201 411 S CA 1.956 60.157 58.200 0.002 0.000 4.160 411 S CB -1.032 62.152 63.200 -0.027 0.000 0.266 411 S HN 1.088 nan 8.310 nan 0.000 0.760 412 D N 1.509 121.987 120.400 0.130 0.000 2.491 412 D HA 0.212 4.851 4.640 -0.001 0.000 0.228 412 D C -0.043 176.380 176.300 0.204 0.000 1.183 412 D CA -0.145 53.999 54.000 0.241 0.000 0.827 412 D CB -1.444 39.474 40.800 0.197 0.000 0.989 412 D HN 0.492 nan 8.370 nan 0.000 0.494 413 N N 0.903 119.626 118.700 0.038 0.000 2.663 413 N HA 0.074 4.814 4.740 -0.001 0.000 0.250 413 N C -0.996 174.551 175.510 0.062 0.000 1.129 413 N CA -0.362 52.712 53.050 0.040 0.000 0.995 413 N CB 0.242 38.735 38.487 0.009 0.000 1.324 413 N HN 0.130 nan 8.380 nan 0.000 0.512 414 Y N 0.281 120.671 120.300 0.150 0.000 2.313 414 Y HA 0.147 4.696 4.550 -0.001 0.000 0.332 414 Y C 0.006 176.104 175.900 0.330 0.000 1.071 414 Y CA -0.676 57.575 58.100 0.251 0.000 1.169 414 Y CB 0.664 39.215 38.460 0.152 0.000 1.192 414 Y HN 0.410 nan 8.280 nan 0.000 0.487 415 W N 2.470 123.897 121.300 0.212 0.000 1.809 415 W HA 0.230 4.890 4.660 -0.001 0.000 0.399 415 W C 0.887 177.452 176.519 0.076 0.000 0.636 415 W CA -0.604 56.895 57.345 0.257 0.000 2.178 415 W CB -0.403 29.308 29.460 0.417 0.000 1.632 415 W HN 0.555 nan 8.180 nan 0.000 0.470 416 S N -2.078 113.654 115.700 0.054 0.000 2.556 416 S HA 0.123 4.593 4.470 -0.001 0.000 0.216 416 S C 1.952 176.296 174.600 -0.427 0.000 0.970 416 S CA 0.358 58.221 58.200 -0.561 0.000 0.912 416 S CB 0.138 63.332 63.200 -0.010 0.000 0.790 416 S HN 0.332 nan 8.310 nan 0.000 0.504 417 G N 1.990 110.738 108.800 -0.087 0.000 2.422 417 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 417 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 417 G C 1.258 176.147 174.900 -0.018 0.000 1.146 417 G CA 0.925 45.983 45.100 -0.070 0.000 0.769 417 G HN 0.802 nan 8.290 nan 0.000 0.547 418 Y N -0.393 119.881 120.300 -0.043 0.000 2.616 418 Y HA 0.115 4.664 4.550 -0.001 0.000 0.296 418 Y C 1.886 177.917 175.900 0.219 0.000 1.154 418 Y CA -0.209 57.944 58.100 0.087 0.000 1.325 418 Y CB -0.360 38.227 38.460 0.211 0.000 1.007 418 Y HN 0.183 nan 8.280 nan 0.000 0.542 419 Y N 0.666 120.742 120.300 -0.373 0.000 2.483 419 Y HA -0.059 4.491 4.550 -0.001 0.000 0.291 419 Y C 1.821 177.671 175.900 -0.084 0.000 1.143 419 Y CA 0.728 58.648 58.100 -0.300 0.000 1.289 419 Y CB -0.830 37.494 38.460 -0.226 0.000 0.983 419 Y HN 0.306 nan 8.280 nan 0.000 0.556 420 T N -2.652 111.971 114.554 0.114 0.000 2.964 420 T HA 0.077 4.427 4.350 -0.001 0.000 0.250 420 T C 0.718 175.504 174.700 0.144 0.000 0.982 420 T CA -0.050 62.116 62.100 0.110 0.000 0.959 420 T CB -0.001 68.900 68.868 0.056 0.000 1.141 420 T HN -0.057 nan 8.240 nan 0.000 0.494 421 S N 2.512 118.296 115.700 0.139 0.000 2.593 421 S HA 0.176 4.645 4.470 -0.001 0.000 0.300 421 S C 0.408 175.142 174.600 0.223 0.000 1.267 421 S CA 0.060 58.353 58.200 0.156 0.000 1.065 421 S CB 0.066 63.344 63.200 0.130 0.000 0.807 421 S HN 0.406 nan 8.310 nan 0.000 0.499 422 R N 1.028 121.678 120.500 0.249 0.000 3.209 422 R HA -0.117 4.222 4.340 -0.001 0.000 0.252 422 R C -2.050 174.505 176.300 0.424 0.000 0.958 422 R CA 0.697 57.020 56.100 0.372 0.000 0.651 422 R CB -1.824 28.719 30.300 0.405 0.000 1.142 422 R HN 0.505 nan 8.270 nan 0.000 0.441 423 P HA -0.203 nan 4.420 nan 0.000 0.226 423 P C 1.087 178.601 177.300 0.357 0.000 1.153 423 P CA 0.882 64.202 63.100 0.366 0.000 0.777 423 P CB -0.000 31.957 31.700 0.428 0.000 0.794 424 Y N 1.559 121.956 120.300 0.163 0.000 2.165 424 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 424 Y C 2.232 178.133 175.900 0.001 0.000 1.155 424 Y CA 2.054 60.169 58.100 0.024 0.000 1.164 424 Y CB -0.862 37.476 38.460 -0.202 0.000 0.978 424 Y HN 0.066 nan 8.280 nan 0.000 0.513 425 H N -0.951 118.375 119.070 0.426 0.000 2.470 425 H HA 0.038 4.593 4.556 -0.001 0.000 0.289 425 H C 2.022 177.511 175.328 0.268 0.000 1.033 425 H CA 1.119 57.342 56.048 0.291 0.000 1.331 425 H CB -0.051 29.937 29.762 0.376 0.000 1.414 425 H HN 0.242 nan 8.280 nan 0.000 0.545 426 K N 0.400 121.029 120.400 0.382 0.000 2.057 426 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 426 K C 2.250 178.914 176.600 0.107 0.000 1.049 426 K CA 1.190 57.636 56.287 0.265 0.000 0.931 426 K CB 0.077 32.708 32.500 0.218 0.000 0.714 426 K HN 0.023 nan 8.250 nan 0.000 0.440 427 R N 1.402 121.938 120.500 0.060 0.000 2.075 427 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 427 R C 2.069 178.132 176.300 -0.396 0.000 1.126 427 R CA 1.497 57.558 56.100 -0.066 0.000 0.963 427 R CB -0.462 29.892 30.300 0.089 0.000 0.858 427 R HN 0.160 nan 8.270 nan 0.000 0.435 428 M N 0.287 119.529 119.600 -0.597 0.000 2.149 428 M HA -0.220 4.260 4.480 -0.001 0.000 0.261 428 M C 1.429 177.423 176.300 -0.510 0.000 1.064 428 M CA 2.436 57.157 55.300 -0.965 0.000 1.102 428 M CB -0.328 31.911 32.600 -0.602 0.000 1.369 428 M HN 0.286 nan 8.290 nan 0.000 0.408 429 D N -0.326 119.959 120.400 -0.191 0.000 2.123 429 D HA -0.204 4.436 4.640 -0.001 0.000 0.196 429 D C 1.885 178.117 176.300 -0.115 0.000 0.992 429 D CA 1.376 55.362 54.000 -0.024 0.000 0.833 429 D CB 0.128 41.055 40.800 0.212 0.000 0.954 429 D HN 0.212 nan 8.370 nan 0.000 0.455 430 R N 0.023 120.428 120.500 -0.158 0.000 2.115 430 R HA 0.018 4.358 4.340 -0.001 0.000 0.226 430 R C 2.407 178.571 176.300 -0.228 0.000 1.100 430 R CA 0.371 56.368 56.100 -0.172 0.000 0.980 430 R CB -0.906 29.307 30.300 -0.145 0.000 0.875 430 R HN 0.251 nan 8.270 nan 0.000 0.445 431 V N 1.572 121.281 119.914 -0.340 0.000 2.261 431 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 431 V C 2.369 178.374 176.094 -0.148 0.000 1.047 431 V CA 1.596 63.696 62.300 -0.332 0.000 1.015 431 V CB -0.605 30.810 31.823 -0.681 0.000 0.642 431 V HN 0.142 nan 8.190 nan 0.000 0.446 432 L N -0.404 120.706 121.223 -0.188 0.000 2.083 432 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 432 L C 2.309 179.137 176.870 -0.069 0.000 1.083 432 L CA 2.004 56.801 54.840 -0.072 0.000 0.752 432 L CB -0.665 41.325 42.059 -0.116 0.000 0.899 432 L HN 0.329 nan 8.230 nan 0.000 0.433 433 M N -1.253 118.278 119.600 -0.114 0.000 2.082 433 M HA -0.332 4.148 4.480 -0.001 0.000 0.258 433 M C 2.380 178.590 176.300 -0.150 0.000 1.069 433 M CA 2.442 57.657 55.300 -0.142 0.000 1.102 433 M CB -0.403 32.078 32.600 -0.198 0.000 1.336 433 M HN 0.576 nan 8.290 nan 0.000 0.404 434 H N -0.807 118.113 119.070 -0.251 0.000 2.395 434 H HA -0.143 4.412 4.556 -0.001 0.000 0.299 434 H C 1.406 176.590 175.328 -0.240 0.000 1.070 434 H CA 2.263 58.136 56.048 -0.291 0.000 1.356 434 H CB -0.293 29.220 29.762 -0.415 0.000 1.401 434 H HN 0.480 nan 8.280 nan 0.000 0.524 435 Y N -0.562 119.614 120.300 -0.206 0.000 2.293 435 Y HA -0.110 4.439 4.550 -0.001 0.000 0.291 435 Y C 2.664 178.448 175.900 -0.194 0.000 1.137 435 Y CA 1.036 59.005 58.100 -0.219 0.000 1.202 435 Y CB -0.409 37.987 38.460 -0.106 0.000 0.990 435 Y HN 0.114 nan 8.280 nan 0.000 0.537 436 V N 0.226 120.117 119.914 -0.038 0.000 2.295 436 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 436 V C 2.536 178.570 176.094 -0.100 0.000 1.049 436 V CA 2.203 64.462 62.300 -0.068 0.000 1.024 436 V CB -0.583 31.193 31.823 -0.080 0.000 0.648 436 V HN 0.313 nan 8.190 nan 0.000 0.447 437 R N 0.420 120.830 120.500 -0.151 0.000 2.083 437 R HA -0.198 4.142 4.340 -0.001 0.000 0.237 437 R C 2.250 178.488 176.300 -0.103 0.000 1.137 437 R CA 1.960 57.980 56.100 -0.134 0.000 0.951 437 R CB -0.512 29.696 30.300 -0.153 0.000 0.851 437 R HN 0.465 nan 8.270 nan 0.000 0.434 438 A N 0.604 123.314 122.820 -0.185 0.000 1.933 438 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 438 A C 2.370 179.957 177.584 0.005 0.000 1.175 438 A CA 1.605 53.621 52.037 -0.035 0.000 0.628 438 A CB -0.732 18.208 19.000 -0.100 0.000 0.814 438 A HN 0.581 nan 8.150 nan 0.000 0.444 439 A N -0.103 122.710 122.820 -0.012 0.000 1.873 439 A HA -0.153 4.167 4.320 -0.001 0.000 0.215 439 A C 1.930 179.485 177.584 -0.048 0.000 1.186 439 A CA 1.534 53.559 52.037 -0.018 0.000 0.616 439 A CB -0.532 18.453 19.000 -0.026 0.000 0.823 439 A HN 0.614 nan 8.150 nan 0.000 0.442 440 E N -0.911 119.252 120.200 -0.061 0.000 2.077 440 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 440 E C 2.060 178.605 176.600 -0.090 0.000 0.989 440 E CA 1.425 57.777 56.400 -0.081 0.000 0.800 440 E CB -0.278 29.371 29.700 -0.084 0.000 0.746 440 E HN 0.760 nan 8.360 nan 0.000 0.452 441 M N 0.729 120.298 119.600 -0.051 0.000 2.098 441 M HA -0.138 4.341 4.480 -0.001 0.000 0.262 441 M C 2.166 178.463 176.300 -0.006 0.000 1.072 441 M CA 1.338 56.605 55.300 -0.055 0.000 1.133 441 M CB 0.035 32.695 32.600 0.100 0.000 1.344 441 M HN 0.066 nan 8.290 nan 0.000 0.414 442 L N 0.183 121.463 121.223 0.096 0.000 2.079 442 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 442 L C 2.645 179.679 176.870 0.274 0.000 1.081 442 L CA 1.691 56.648 54.840 0.194 0.000 0.752 442 L CB -0.561 41.475 42.059 -0.038 0.000 0.896 442 L HN 0.526 nan 8.230 nan 0.000 0.433 443 S N -0.982 114.801 115.700 0.139 0.000 2.528 443 S HA 0.072 4.542 4.470 -0.001 0.000 0.219 443 S C 1.984 176.766 174.600 0.303 0.000 0.985 443 S CA 0.374 58.730 58.200 0.261 0.000 0.914 443 S CB 0.025 63.181 63.200 -0.072 0.000 0.776 443 S HN 0.287 nan 8.310 nan 0.000 0.526 444 A N 0.865 123.681 122.820 -0.006 0.000 2.015 444 A HA 0.099 4.419 4.320 -0.001 0.000 0.219 444 A C 1.696 179.173 177.584 -0.178 0.000 1.163 444 A CA 0.749 52.683 52.037 -0.172 0.000 0.646 444 A CB -1.163 17.586 19.000 -0.419 0.000 0.806 444 A HN 0.762 nan 8.150 nan 0.000 0.448 445 W N -0.645 120.666 121.300 0.020 0.000 2.392 445 W HA -0.017 4.642 4.660 -0.001 0.000 0.279 445 W C 0.850 177.155 176.519 -0.356 0.000 1.225 445 W CA 0.947 58.206 57.345 -0.143 0.000 1.233 445 W CB -0.147 29.192 29.460 -0.202 0.000 1.122 445 W HN 0.388 nan 8.180 nan 0.000 0.561 446 H N -2.062 117.062 119.070 0.090 0.000 2.731 446 H HA 0.360 4.916 4.556 -0.001 0.000 0.368 446 H C -0.248 174.965 175.328 -0.191 0.000 1.168 446 H CA -0.879 55.057 56.048 -0.188 0.000 1.181 446 H CB 1.595 30.991 29.762 -0.610 0.000 1.743 446 H HN -0.420 nan 8.280 nan 0.000 0.547 447 S N 1.095 116.747 115.700 -0.080 0.000 2.545 447 S HA 0.163 4.633 4.470 -0.001 0.000 0.275 447 S C -1.078 173.401 174.600 -0.201 0.000 1.299 447 S CA -0.554 57.618 58.200 -0.047 0.000 1.048 447 S CB 0.206 63.395 63.200 -0.019 0.000 0.938 447 S HN 0.339 nan 8.310 nan 0.000 0.496 448 W N 1.502 122.802 121.300 -0.000 0.000 2.632 448 W HA 0.335 4.995 4.660 -0.001 0.000 0.328 448 W C -0.004 176.471 176.519 -0.075 0.000 1.044 448 W CA -0.927 56.388 57.345 -0.050 0.000 1.225 448 W CB 0.511 29.908 29.460 -0.105 0.000 1.396 448 W HN 0.563 nan 8.180 nan 0.000 0.499 449 D N 1.044 121.520 120.400 0.127 0.000 2.506 449 D HA 0.101 4.741 4.640 -0.001 0.000 0.234 449 D C 1.677 177.977 176.300 0.000 0.000 1.143 449 D CA 1.307 55.346 54.000 0.065 0.000 0.871 449 D CB 1.215 42.078 40.800 0.104 0.000 1.190 449 D HN 0.569 nan 8.370 nan 0.000 0.459 450 G N 3.207 112.016 108.800 0.015 0.000 2.485 450 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.221 450 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.221 450 G C 1.300 176.177 174.900 -0.039 0.000 1.115 450 G CA 0.464 45.559 45.100 -0.008 0.000 0.751 450 G HN 0.485 nan 8.290 nan 0.000 0.567 451 M N 0.969 120.557 119.600 -0.020 0.000 2.460 451 M HA 0.128 4.607 4.480 -0.001 0.000 0.263 451 M C 2.743 178.975 176.300 -0.113 0.000 1.071 451 M CA 0.664 55.977 55.300 0.021 0.000 1.096 451 M CB -0.838 31.866 32.600 0.174 0.000 1.408 451 M HN 0.317 nan 8.290 nan 0.000 0.463 452 A N -0.139 122.391 122.820 -0.484 0.000 2.119 452 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 452 A C 1.261 178.647 177.584 -0.331 0.000 1.152 452 A CA 0.403 51.942 52.037 -0.830 0.000 0.708 452 A CB -0.280 18.053 19.000 -1.112 0.000 0.805 452 A HN 0.579 nan 8.150 nan 0.000 0.460 453 R N -1.782 118.596 120.500 -0.203 0.000 3.770 453 R HA -0.169 4.170 4.340 -0.001 0.000 0.305 453 R C 0.670 176.865 176.300 -0.175 0.000 1.184 453 R CA 0.750 56.773 56.100 -0.129 0.000 0.823 453 R CB -2.170 28.087 30.300 -0.071 0.000 1.285 453 R HN 0.485 nan 8.270 nan 0.000 0.499 454 I N 0.451 120.867 120.570 -0.257 0.000 2.233 454 I HA -0.174 3.995 4.170 -0.001 0.000 0.243 454 I C 2.095 178.090 176.117 -0.203 0.000 1.093 454 I CA 1.613 62.713 61.300 -0.334 0.000 1.380 454 I CB -0.627 37.019 38.000 -0.589 0.000 1.067 454 I HN 0.196 nan 8.210 nan 0.000 0.413 455 E N 0.820 120.939 120.200 -0.135 0.000 2.118 455 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 455 E C 2.074 178.630 176.600 -0.074 0.000 0.992 455 E CA 1.265 57.614 56.400 -0.085 0.000 0.804 455 E CB -0.243 29.430 29.700 -0.044 0.000 0.741 455 E HN 0.473 nan 8.360 nan 0.000 0.458 456 E N 0.418 120.575 120.200 -0.071 0.000 2.031 456 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 456 E C 1.967 178.528 176.600 -0.065 0.000 0.994 456 E CA 1.090 57.457 56.400 -0.054 0.000 0.800 456 E CB 0.087 29.759 29.700 -0.046 0.000 0.752 456 E HN -0.024 nan 8.360 nan 0.000 0.447 457 R N 0.290 120.740 120.500 -0.084 0.000 2.092 457 R HA -0.015 4.325 4.340 -0.001 0.000 0.231 457 R C 2.395 178.642 176.300 -0.088 0.000 1.119 457 R CA 0.938 56.988 56.100 -0.084 0.000 0.970 457 R CB -0.463 29.778 30.300 -0.098 0.000 0.864 457 R HN 0.280 nan 8.270 nan 0.000 0.440 458 L N -0.161 121.000 121.223 -0.103 0.000 2.093 458 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 458 L C 2.379 179.192 176.870 -0.095 0.000 1.085 458 L CA 1.447 56.227 54.840 -0.099 0.000 0.755 458 L CB -0.430 41.566 42.059 -0.107 0.000 0.904 458 L HN 0.302 nan 8.230 nan 0.000 0.435 459 E N 0.179 120.327 120.200 -0.086 0.000 2.077 459 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 459 E C 2.205 178.739 176.600 -0.111 0.000 0.989 459 E CA 1.357 57.700 56.400 -0.095 0.000 0.800 459 E CB -0.009 29.656 29.700 -0.059 0.000 0.746 459 E HN 0.429 nan 8.360 nan 0.000 0.452 460 Q N 0.085 119.838 119.800 -0.080 0.000 2.061 460 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 460 Q C 2.110 178.063 176.000 -0.078 0.000 0.984 460 Q CA 1.763 57.525 55.803 -0.068 0.000 0.846 460 Q CB -0.265 28.445 28.738 -0.047 0.000 0.902 460 Q HN 0.352 nan 8.270 nan 0.000 0.421 461 A N 1.113 123.886 122.820 -0.078 0.000 1.883 461 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 461 A C 2.111 179.639 177.584 -0.093 0.000 1.186 461 A CA 1.591 53.584 52.037 -0.073 0.000 0.624 461 A CB -0.571 18.388 19.000 -0.069 0.000 0.822 461 A HN 0.394 nan 8.150 nan 0.000 0.444 462 R N -0.877 119.549 120.500 -0.124 0.000 2.096 462 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 462 R C 2.455 178.615 176.300 -0.233 0.000 1.127 462 R CA 1.574 57.577 56.100 -0.161 0.000 0.968 462 R CB -0.274 29.917 30.300 -0.182 0.000 0.861 462 R HN 0.497 nan 8.270 nan 0.000 0.440 463 R N 0.253 120.586 120.500 -0.279 0.000 2.090 463 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 463 R C 2.052 178.295 176.300 -0.096 0.000 1.110 463 R CA 0.939 56.808 56.100 -0.385 0.000 0.973 463 R CB 0.035 30.127 30.300 -0.348 0.000 0.869 463 R HN 0.195 nan 8.270 nan 0.000 0.440 464 E N 0.700 120.878 120.200 -0.038 0.000 2.107 464 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 464 E C 1.961 178.603 176.600 0.070 0.000 0.982 464 E CA 0.663 57.087 56.400 0.040 0.000 0.809 464 E CB -0.181 29.531 29.700 0.019 0.000 0.756 464 E HN 0.145 nan 8.360 nan 0.000 0.459 465 L N 1.273 122.506 121.223 0.017 0.000 2.056 465 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 465 L C 2.153 179.077 176.870 0.091 0.000 1.078 465 L CA 1.586 56.455 54.840 0.048 0.000 0.749 465 L CB -0.606 41.445 42.059 -0.013 0.000 0.901 465 L HN -0.099 nan 8.230 nan 0.000 0.433 466 S N -0.437 115.283 115.700 0.033 0.000 2.368 466 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 466 S C 1.846 176.594 174.600 0.247 0.000 1.030 466 S CA 1.512 59.762 58.200 0.084 0.000 0.999 466 S CB -0.584 62.562 63.200 -0.090 0.000 0.844 466 S HN 0.454 nan 8.310 nan 0.000 0.459 467 L N 0.764 122.180 121.223 0.320 0.000 2.043 467 L HA -0.063 4.277 4.340 -0.001 0.000 0.212 467 L C 1.886 178.885 176.870 0.214 0.000 1.075 467 L CA 1.687 56.713 54.840 0.311 0.000 0.752 467 L CB -0.651 41.566 42.059 0.264 0.000 0.891 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.307 119.634 119.950 -0.015 0.000 2.451 468 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 468 F C 2.202 177.931 175.800 -0.119 0.000 1.101 468 F CA 0.853 58.731 58.000 -0.204 0.000 1.436 468 F CB -0.235 38.676 39.000 -0.147 0.000 1.074 468 F HN 0.256 nan 8.300 nan 0.000 0.553 469 Q N -0.384 119.389 119.800 -0.045 0.000 2.437 469 Q HA -0.152 4.187 4.340 -0.001 0.000 0.210 469 Q C 0.567 176.515 176.000 -0.087 0.000 0.972 469 Q CA 0.490 56.242 55.803 -0.086 0.000 0.903 469 Q CB -1.334 27.421 28.738 0.028 0.000 0.967 469 Q HN 0.503 nan 8.270 nan 0.000 0.486 470 H N 2.045 121.014 119.070 -0.169 0.000 3.073 470 H HA -0.121 4.435 4.556 -0.001 0.000 0.340 470 H C 1.338 176.520 175.328 -0.243 0.000 1.054 470 H CA 0.787 56.730 56.048 -0.174 0.000 1.372 470 H CB 0.550 30.232 29.762 -0.133 0.000 1.314 470 H HN 0.249 nan 8.280 nan 0.000 0.603 471 H N 1.992 120.662 119.070 -0.666 0.000 2.563 471 H HA -0.010 4.545 4.556 -0.001 0.000 0.272 471 H C -0.331 174.562 175.328 -0.725 0.000 1.005 471 H CA 0.753 56.358 56.048 -0.739 0.000 1.171 471 H CB 0.313 29.634 29.762 -0.736 0.000 1.351 471 H HN 0.607 nan 8.280 nan 0.000 0.602 472 D N 0.413 120.116 120.400 -1.163 0.000 2.513 472 D HA 0.129 4.769 4.640 -0.001 0.000 0.222 472 D C 1.576 177.848 176.300 -0.047 0.000 1.210 472 D CA 0.272 54.112 54.000 -0.268 0.000 0.825 472 D CB 0.838 41.694 40.800 0.094 0.000 1.037 472 D HN 0.516 nan 8.370 nan 0.000 0.506 473 G N 1.340 109.905 108.800 -0.392 0.000 2.549 473 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.219 473 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.219 473 G C 1.359 175.655 174.900 -1.007 0.000 1.677 473 G CA -0.216 44.388 45.100 -0.828 0.000 0.929 473 G HN 0.201 nan 8.290 nan 0.000 0.549 474 I N 1.922 121.595 120.570 -1.495 0.000 2.399 474 I HA -0.210 3.959 4.170 -0.001 0.000 0.254 474 I C 2.891 178.903 176.117 -0.176 0.000 1.146 474 I CA 2.127 62.872 61.300 -0.925 0.000 1.412 474 I CB -0.039 37.602 38.000 -0.598 0.000 1.076 474 I HN 0.390 nan 8.210 nan 0.000 0.432 475 T N -1.716 112.791 114.554 -0.078 0.000 3.007 475 T HA 0.040 4.389 4.350 -0.001 0.000 0.270 475 T C 1.532 176.376 174.700 0.240 0.000 1.107 475 T CA 0.623 62.874 62.100 0.253 0.000 1.118 475 T CB -0.473 68.553 68.868 0.264 0.000 0.889 475 T HN 0.651 nan 8.240 nan 0.000 0.506 476 G N 1.454 110.345 108.800 0.153 0.000 2.198 476 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.257 476 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.257 476 G C 0.528 175.499 174.900 0.118 0.000 1.042 476 G CA 0.592 45.804 45.100 0.186 0.000 0.791 476 G HN 1.138 nan 8.290 nan 0.000 0.502 477 T N -3.400 111.217 114.554 0.106 0.000 3.215 477 T HA 0.738 5.088 4.350 -0.001 0.000 0.271 477 T C 0.839 175.740 174.700 0.335 0.000 1.012 477 T CA 1.023 63.119 62.100 -0.006 0.000 0.899 477 T CB 1.008 69.680 68.868 -0.327 0.000 1.089 477 T HN 1.584 nan 8.240 nan 0.000 0.552 478 A N 1.267 124.300 122.820 0.354 0.000 2.281 478 A HA 0.690 5.010 4.320 -0.001 0.000 0.329 478 A C 0.179 177.876 177.584 0.188 0.000 1.122 478 A CA -0.949 51.337 52.037 0.415 0.000 0.850 478 A CB 0.902 20.191 19.000 0.480 0.000 1.207 478 A HN 0.380 nan 8.150 nan 0.000 0.495 479 K N -0.050 120.392 120.400 0.070 0.000 2.336 479 K HA 0.128 4.447 4.320 -0.001 0.000 0.262 479 K C 1.101 177.721 176.600 0.032 0.000 0.992 479 K CA 0.354 56.658 56.287 0.029 0.000 0.927 479 K CB 0.370 32.878 32.500 0.014 0.000 0.956 479 K HN 0.751 nan 8.250 nan 0.000 0.495 480 T N 1.517 116.118 114.554 0.079 0.000 2.624 480 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 480 T C 1.664 176.408 174.700 0.073 0.000 1.041 480 T CA 1.946 64.096 62.100 0.083 0.000 1.159 480 T CB -0.447 68.477 68.868 0.094 0.000 0.863 480 T HN 0.698 nan 8.240 nan 0.000 0.434 481 H N 0.527 119.600 119.070 0.005 0.000 2.521 481 H HA 0.090 4.646 4.556 -0.001 0.000 0.286 481 H C 2.004 177.315 175.328 -0.028 0.000 1.034 481 H CA 0.897 56.940 56.048 -0.008 0.000 1.278 481 H CB -0.728 29.023 29.762 -0.018 0.000 1.386 481 H HN 0.290 nan 8.280 nan 0.000 0.567 482 V N 1.100 120.679 119.914 -0.557 0.000 2.407 482 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 482 V C 3.025 178.960 176.094 -0.264 0.000 1.041 482 V CA 1.071 63.077 62.300 -0.491 0.000 1.040 482 V CB -0.436 31.152 31.823 -0.391 0.000 0.671 482 V HN 0.237 nan 8.190 nan 0.000 0.455 483 V N 0.090 119.980 119.914 -0.040 0.000 2.392 483 V HA -0.243 3.876 4.120 -0.001 0.000 0.249 483 V C 2.457 178.553 176.094 0.005 0.000 1.059 483 V CA 1.956 64.290 62.300 0.057 0.000 1.051 483 V CB -0.570 31.242 31.823 -0.018 0.000 0.658 483 V HN 0.415 nan 8.190 nan 0.000 0.455 484 V N 0.288 120.207 119.914 0.008 0.000 2.343 484 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 484 V C 2.313 178.434 176.094 0.045 0.000 1.051 484 V CA 2.392 64.724 62.300 0.054 0.000 1.036 484 V CB -0.689 31.172 31.823 0.062 0.000 0.654 484 V HN 0.618 nan 8.190 nan 0.000 0.451 485 D N -0.947 119.438 120.400 -0.026 0.000 2.104 485 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 485 D C 2.006 178.323 176.300 0.029 0.000 0.994 485 D CA 1.671 55.647 54.000 -0.040 0.000 0.830 485 D CB -0.178 40.534 40.800 -0.148 0.000 0.959 485 D HN 0.496 nan 8.370 nan 0.000 0.452 486 Y N 0.932 121.276 120.300 0.073 0.000 2.181 486 Y HA -0.072 4.477 4.550 -0.001 0.000 0.288 486 Y C 2.461 178.342 175.900 -0.031 0.000 1.146 486 Y CA 1.323 59.461 58.100 0.063 0.000 1.164 486 Y CB -0.786 37.774 38.460 0.167 0.000 0.982 486 Y HN 0.143 nan 8.280 nan 0.000 0.515 487 E N 0.125 120.436 120.200 0.184 0.000 2.058 487 E HA -0.279 4.071 4.350 -0.001 0.000 0.194 487 E C 2.038 178.725 176.600 0.144 0.000 0.997 487 E CA 1.587 58.112 56.400 0.209 0.000 0.801 487 E CB -0.076 29.828 29.700 0.341 0.000 0.746 487 E HN 0.573 nan 8.360 nan 0.000 0.450 488 Q N -0.063 119.807 119.800 0.116 0.000 2.096 488 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 488 Q C 2.349 178.391 176.000 0.069 0.000 0.982 488 Q CA 1.596 57.449 55.803 0.085 0.000 0.850 488 Q CB -0.104 28.674 28.738 0.067 0.000 0.901 488 Q HN 0.202 nan 8.270 nan 0.000 0.422 489 R N 0.007 120.552 120.500 0.076 0.000 2.081 489 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 489 R C 2.274 178.596 176.300 0.037 0.000 1.131 489 R CA 1.491 57.628 56.100 0.062 0.000 0.960 489 R CB -0.175 30.185 30.300 0.099 0.000 0.856 489 R HN 0.306 nan 8.270 nan 0.000 0.436 490 M N 0.218 119.832 119.600 0.023 0.000 2.229 490 M HA -0.181 4.298 4.480 -0.001 0.000 0.264 490 M C 2.182 178.484 176.300 0.004 0.000 1.063 490 M CA 1.597 56.881 55.300 -0.026 0.000 1.114 490 M CB -0.190 32.337 32.600 -0.121 0.000 1.387 490 M HN 0.210 nan 8.290 nan 0.000 0.420 491 Q N 0.099 119.929 119.800 0.050 0.000 2.050 491 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 491 Q C 1.996 178.010 176.000 0.023 0.000 0.980 491 Q CA 1.167 57.009 55.803 0.064 0.000 0.840 491 Q CB -0.039 28.751 28.738 0.087 0.000 0.898 491 Q HN 0.389 nan 8.270 nan 0.000 0.424 492 E N 0.342 120.552 120.200 0.018 0.000 2.110 492 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 492 E C 1.898 178.487 176.600 -0.018 0.000 0.988 492 E CA 1.172 57.573 56.400 0.001 0.000 0.804 492 E CB -0.269 29.434 29.700 0.006 0.000 0.745 492 E HN 0.365 nan 8.360 nan 0.000 0.458 493 A N 1.017 123.825 122.820 -0.019 0.000 1.902 493 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 493 A C 2.399 179.952 177.584 -0.051 0.000 1.181 493 A CA 1.030 53.045 52.037 -0.036 0.000 0.623 493 A CB -0.675 18.304 19.000 -0.036 0.000 0.818 493 A HN 0.190 nan 8.150 nan 0.000 0.443 494 L N -0.696 120.496 121.223 -0.053 0.000 2.083 494 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 494 L C 2.565 179.365 176.870 -0.117 0.000 1.083 494 L CA 1.670 56.452 54.840 -0.097 0.000 0.752 494 L CB -0.398 41.614 42.059 -0.080 0.000 0.899 494 L HN 0.358 nan 8.230 nan 0.000 0.433 495 K N -0.044 120.312 120.400 -0.072 0.000 2.097 495 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 495 K C 2.259 178.819 176.600 -0.066 0.000 1.050 495 K CA 1.238 57.484 56.287 -0.068 0.000 0.938 495 K CB -0.248 32.226 32.500 -0.043 0.000 0.718 495 K HN 0.275 nan 8.250 nan 0.000 0.442 496 A N 1.260 124.044 122.820 -0.059 0.000 1.877 496 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 496 A C 2.451 179.994 177.584 -0.068 0.000 1.186 496 A CA 1.568 53.569 52.037 -0.061 0.000 0.620 496 A CB -1.048 17.917 19.000 -0.058 0.000 0.822 496 A HN 0.407 nan 8.150 nan 0.000 0.443 497 C N -1.041 118.216 119.300 -0.072 0.000 2.432 497 C HA -0.137 4.322 4.460 -0.001 0.000 0.277 497 C C 2.880 177.839 174.990 -0.052 0.000 1.249 497 C CA 1.295 60.278 59.018 -0.058 0.000 1.725 497 C CB -1.321 26.398 27.740 -0.036 0.000 2.028 497 C HN 0.794 nan 8.230 nan 0.000 0.477 498 Q N 0.285 120.025 119.800 -0.100 0.000 2.061 498 Q HA -0.291 4.049 4.340 -0.001 0.000 0.204 498 Q C 2.167 178.179 176.000 0.021 0.000 0.984 498 Q CA 2.172 57.937 55.803 -0.064 0.000 0.846 498 Q CB -0.290 28.377 28.738 -0.118 0.000 0.902 498 Q HN 0.608 nan 8.270 nan 0.000 0.421 499 M N -0.124 119.469 119.600 -0.012 0.000 2.080 499 M HA -0.143 4.337 4.480 -0.001 0.000 0.260 499 M C 1.837 178.141 176.300 0.007 0.000 1.068 499 M CA 1.589 56.894 55.300 0.007 0.000 1.109 499 M CB -0.458 32.129 32.600 -0.021 0.000 1.342 499 M HN 0.133 nan 8.290 nan 0.000 0.405 500 V N 0.288 120.171 119.914 -0.052 0.000 2.295 500 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 500 V C 2.439 178.501 176.094 -0.053 0.000 1.049 500 V CA 2.246 64.468 62.300 -0.129 0.000 1.024 500 V CB -0.708 31.015 31.823 -0.166 0.000 0.648 500 V HN 0.571 nan 8.190 nan 0.000 0.447 501 M N 0.255 119.883 119.600 0.046 0.000 2.080 501 M HA -0.276 4.203 4.480 -0.001 0.000 0.260 501 M C 2.388 178.774 176.300 0.144 0.000 1.068 501 M CA 2.496 57.881 55.300 0.141 0.000 1.109 501 M CB -0.499 32.294 32.600 0.321 0.000 1.342 501 M HN 0.554 nan 8.290 nan 0.000 0.405 502 Q N -0.235 119.717 119.800 0.254 0.000 2.123 502 Q HA -0.121 4.219 4.340 -0.001 0.000 0.199 502 Q C 1.823 178.019 176.000 0.327 0.000 0.966 502 Q CA 1.115 57.100 55.803 0.303 0.000 0.845 502 Q CB -0.614 28.395 28.738 0.451 0.000 0.907 502 Q HN 0.415 nan 8.270 nan 0.000 0.439 503 Q N 0.615 120.587 119.800 0.287 0.000 2.084 503 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 503 Q C 2.276 178.520 176.000 0.406 0.000 0.978 503 Q CA 1.747 57.784 55.803 0.390 0.000 0.844 503 Q CB -0.242 28.636 28.738 0.232 0.000 0.898 503 Q HN 0.507 nan 8.270 nan 0.000 0.426 504 S N 0.357 116.187 115.700 0.218 0.000 2.368 504 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 504 S C 2.216 176.866 174.600 0.083 0.000 1.029 504 S CA 1.017 59.393 58.200 0.295 0.000 0.988 504 S CB -0.173 63.137 63.200 0.184 0.000 0.838 504 S HN 0.136 nan 8.310 nan 0.000 0.462 505 V N 0.817 120.657 119.914 -0.122 0.000 2.343 505 V HA -0.189 3.931 4.120 -0.001 0.000 0.247 505 V C 2.003 178.084 176.094 -0.022 0.000 1.051 505 V CA 1.838 63.940 62.300 -0.330 0.000 1.036 505 V CB -0.796 30.413 31.823 -1.023 0.000 0.654 505 V HN 0.557 nan 8.190 nan 0.000 0.451 506 Y N 1.321 121.689 120.300 0.114 0.000 2.181 506 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 506 Y C 2.730 178.719 175.900 0.150 0.000 1.146 506 Y CA 2.173 60.427 58.100 0.257 0.000 1.164 506 Y CB -0.336 38.172 38.460 0.079 0.000 0.982 506 Y HN 0.089 nan 8.280 nan 0.000 0.515 507 R N -0.192 120.220 120.500 -0.147 0.000 2.092 507 R HA -0.086 4.254 4.340 -0.001 0.000 0.231 507 R C 2.124 178.115 176.300 -0.514 0.000 1.119 507 R CA 1.535 57.194 56.100 -0.735 0.000 0.970 507 R CB -0.335 29.531 30.300 -0.722 0.000 0.864 507 R HN 0.447 nan 8.270 nan 0.000 0.440 508 L N 0.164 121.228 121.223 -0.266 0.000 2.291 508 L HA -0.047 4.293 4.340 -0.001 0.000 0.214 508 L C 1.430 178.189 176.870 -0.184 0.000 1.120 508 L CA 0.752 55.403 54.840 -0.316 0.000 0.799 508 L CB 0.146 41.846 42.059 -0.598 0.000 0.925 508 L HN 0.223 nan 8.230 nan 0.000 0.446 509 L N -1.317 119.893 121.223 -0.022 0.000 3.014 509 L HA 0.219 4.558 4.340 -0.001 0.000 0.263 509 L C -0.190 176.758 176.870 0.130 0.000 1.207 509 L CA -0.083 54.834 54.840 0.129 0.000 1.017 509 L CB 0.550 42.834 42.059 0.375 0.000 1.360 509 L HN -0.003 nan 8.230 nan 0.000 0.560 510 T N 0.206 114.762 114.554 0.004 0.000 2.807 510 T HA 0.174 4.523 4.350 -0.001 0.000 0.279 510 T C -0.117 174.522 174.700 -0.103 0.000 0.993 510 T CA -0.548 61.538 62.100 -0.023 0.000 0.970 510 T CB 2.300 71.130 68.868 -0.064 0.000 0.950 510 T HN 0.010 nan 8.240 nan 0.000 0.441 511 K N 4.051 124.402 120.400 -0.083 0.000 2.473 511 K HA -0.024 4.295 4.320 -0.001 0.000 0.277 511 K C -1.717 174.858 176.600 -0.042 0.000 1.052 511 K CA -1.039 55.208 56.287 -0.066 0.000 1.114 511 K CB 0.437 32.903 32.500 -0.057 0.000 0.869 511 K HN 0.182 nan 8.250 nan 0.000 0.481 512 P HA -0.207 nan 4.420 nan 0.000 0.216 512 P C 0.855 178.172 177.300 0.029 0.000 1.150 512 P CA 1.518 64.597 63.100 -0.035 0.000 0.843 512 P CB 0.136 31.807 31.700 -0.048 0.000 0.787 513 S N -2.066 113.641 115.700 0.011 0.000 2.555 513 S HA 0.013 4.482 4.470 -0.001 0.000 0.230 513 S C 1.680 176.295 174.600 0.026 0.000 0.978 513 S CA 0.651 58.862 58.200 0.018 0.000 0.934 513 S CB -1.125 62.077 63.200 0.003 0.000 0.766 513 S HN 0.121 nan 8.310 nan 0.000 0.533 514 I N -0.955 119.638 120.570 0.039 0.000 3.790 514 I HA 0.205 4.375 4.170 -0.001 0.000 0.305 514 I C 0.577 176.745 176.117 0.085 0.000 1.253 514 I CA -0.414 60.915 61.300 0.049 0.000 1.355 514 I CB -0.108 37.918 38.000 0.042 0.000 1.137 514 I HN 0.253 nan 8.210 nan 0.000 0.435 515 Y N 3.034 123.289 120.300 -0.075 0.000 2.802 515 Y HA -0.062 4.488 4.550 -0.001 0.000 0.333 515 Y C 0.487 176.366 175.900 -0.035 0.000 1.244 515 Y CA 0.097 58.110 58.100 -0.145 0.000 1.558 515 Y CB 0.391 38.695 38.460 -0.259 0.000 1.233 515 Y HN -0.103 nan 8.280 nan 0.000 0.547 516 S N 8.814 124.311 115.700 -0.338 0.000 2.216 516 S HA 0.365 4.835 4.470 -0.001 0.000 0.156 516 S C -2.876 171.533 174.600 -0.319 0.000 1.665 516 S CA -1.214 56.802 58.200 -0.307 0.000 1.262 516 S CB -0.095 63.046 63.200 -0.098 0.000 1.207 516 S HN 0.647 nan 8.310 nan 0.000 0.427 517 P HA 0.336 nan 4.420 nan 0.000 0.280 517 P C -1.152 175.880 177.300 -0.447 0.000 1.244 517 P CA -0.181 62.669 63.100 -0.416 0.000 0.784 517 P CB 0.881 32.236 31.700 -0.575 0.000 0.913 518 D N 2.304 122.623 120.400 -0.135 0.000 2.392 518 D HA 0.158 4.798 4.640 -0.001 0.000 0.228 518 D C 0.210 176.526 176.300 0.027 0.000 1.074 518 D CA -0.705 53.205 54.000 -0.151 0.000 0.838 518 D CB 0.269 41.014 40.800 -0.092 0.000 1.067 518 D HN 0.052 nan 8.370 nan 0.000 0.511 519 F N 1.647 121.709 119.950 0.186 0.000 2.699 519 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 519 F C 2.414 178.289 175.800 0.125 0.000 1.154 519 F CA 0.514 58.625 58.000 0.186 0.000 1.457 519 F CB -0.381 38.710 39.000 0.151 0.000 1.106 519 F HN 0.370 nan 8.300 nan 0.000 0.585 520 S N -1.667 114.172 115.700 0.232 0.000 2.535 520 S HA 0.100 4.569 4.470 -0.001 0.000 0.214 520 S C 0.336 174.978 174.600 0.069 0.000 0.980 520 S CA -0.391 57.886 58.200 0.128 0.000 0.907 520 S CB -0.650 62.603 63.200 0.089 0.000 0.790 520 S HN 0.116 nan 8.310 nan 0.000 0.510 521 F N 2.782 122.669 119.950 -0.105 0.000 2.379 521 F HA 0.596 5.123 4.527 -0.001 0.000 0.332 521 F C -0.042 175.532 175.800 -0.377 0.000 1.096 521 F CA -0.732 57.070 58.000 -0.329 0.000 1.105 521 F CB 1.580 40.222 39.000 -0.597 0.000 1.189 521 F HN -0.071 nan 8.300 nan 0.000 0.515 522 S N 5.809 120.760 115.700 -1.249 0.000 2.464 522 S HA 0.155 4.625 4.470 -0.001 0.000 0.313 522 S C 0.333 174.318 174.600 -1.024 0.000 1.078 522 S CA -0.345 57.359 58.200 -0.827 0.000 1.096 522 S CB -0.189 62.653 63.200 -0.596 0.000 1.032 522 S HN 0.658 nan 8.310 nan 0.000 0.498 523 Y N 1.679 121.756 120.300 -0.372 0.000 2.314 523 Y HA 0.161 4.710 4.550 -0.001 0.000 0.293 523 Y C 0.355 175.703 175.900 -0.921 0.000 1.129 523 Y CA 0.719 58.476 58.100 -0.573 0.000 1.201 523 Y CB 0.110 38.306 38.460 -0.440 0.000 0.999 523 Y HN 0.494 nan 8.280 nan 0.000 0.541 524 F N -1.372 118.539 119.950 -0.066 0.000 2.599 524 F HA 0.448 4.975 4.527 -0.001 0.000 0.311 524 F C -0.115 175.706 175.800 0.036 0.000 1.076 524 F CA -1.550 56.468 58.000 0.031 0.000 0.937 524 F CB 1.591 40.759 39.000 0.280 0.000 1.282 524 F HN -0.404 nan 8.300 nan 0.000 0.460 525 T N 0.214 114.909 114.554 0.235 0.000 2.855 525 T HA 0.705 5.055 4.350 -0.001 0.000 0.281 525 T C -0.526 174.259 174.700 0.141 0.000 1.007 525 T CA -0.824 61.353 62.100 0.129 0.000 1.009 525 T CB 1.197 70.083 68.868 0.031 0.000 0.983 525 T HN 0.502 nan 8.240 nan 0.000 0.455 526 L N 2.018 123.239 121.223 -0.003 0.000 2.439 526 L HA 0.377 4.716 4.340 -0.001 0.000 0.269 526 L C 0.183 177.016 176.870 -0.063 0.000 1.179 526 L CA -0.185 54.559 54.840 -0.159 0.000 0.828 526 L CB 0.530 42.426 42.059 -0.271 0.000 1.106 526 L HN 0.810 nan 8.230 nan 0.000 0.467 527 D N 1.544 121.911 120.400 -0.056 0.000 2.481 527 D HA 0.198 4.838 4.640 -0.001 0.000 0.246 527 D C -1.241 175.000 176.300 -0.099 0.000 1.109 527 D CA -0.409 53.562 54.000 -0.049 0.000 0.845 527 D CB 1.056 41.871 40.800 0.024 0.000 1.160 527 D HN 0.279 nan 8.370 nan 0.000 0.534 528 D N 2.360 122.716 120.400 -0.073 0.000 2.425 528 D HA 0.200 4.840 4.640 -0.001 0.000 0.240 528 D C 0.180 176.429 176.300 -0.085 0.000 1.080 528 D CA -0.456 53.531 54.000 -0.022 0.000 0.836 528 D CB 1.926 42.804 40.800 0.130 0.000 1.125 528 D HN 0.254 nan 8.370 nan 0.000 0.525 529 S N 2.715 118.338 115.700 -0.128 0.000 2.489 529 S HA 0.021 4.490 4.470 -0.001 0.000 0.228 529 S C 1.360 175.919 174.600 -0.068 0.000 0.995 529 S CA 0.569 58.682 58.200 -0.145 0.000 0.934 529 S CB 0.387 63.489 63.200 -0.163 0.000 0.771 529 S HN 0.494 nan 8.310 nan 0.000 0.522 530 R N -0.678 119.816 120.500 -0.011 0.000 2.535 530 R HA 0.221 4.560 4.340 -0.001 0.000 0.323 530 R C -0.689 175.693 176.300 0.136 0.000 0.979 530 R CA -0.112 56.005 56.100 0.029 0.000 1.120 530 R CB 0.803 31.111 30.300 0.013 0.000 1.306 530 R HN 0.341 nan 8.270 nan 0.000 0.540 531 W N 1.339 122.601 121.300 -0.064 0.000 3.211 531 W HA 0.296 4.956 4.660 -0.001 0.000 0.335 531 W C -2.901 173.591 176.519 -0.045 0.000 1.113 531 W CA -2.006 55.301 57.345 -0.063 0.000 1.235 531 W CB 1.834 31.269 29.460 -0.042 0.000 1.365 531 W HN -0.192 nan 8.180 nan 0.000 0.476 532 P HA 0.092 nan 4.420 nan 0.000 0.226 532 P C 0.350 177.299 177.300 -0.584 0.000 1.153 532 P CA 1.699 63.975 63.100 -1.373 0.000 0.777 532 P CB 0.269 31.387 31.700 -0.970 0.000 0.794 533 G N -1.041 107.584 108.800 -0.293 0.000 2.617 533 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G C -0.452 174.389 174.900 -0.098 0.000 1.214 533 G CA -0.511 44.503 45.100 -0.143 0.000 0.796 533 G HN 0.088 nan 8.290 nan 0.000 0.654 534 S N 0.222 115.904 115.700 -0.030 0.000 2.537 534 S HA 0.522 4.992 4.470 -0.001 0.000 0.286 534 S C 1.834 176.435 174.600 0.001 0.000 1.299 534 S CA 1.986 60.200 58.200 0.024 0.000 1.067 534 S CB 0.249 63.503 63.200 0.090 0.000 0.864 534 S HN 2.704 nan 8.310 nan 0.000 0.494 535 G N 2.867 111.666 108.800 -0.002 0.000 2.199 535 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.254 535 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.254 535 G C 0.605 175.476 174.900 -0.047 0.000 0.982 535 G CA 0.346 45.433 45.100 -0.021 0.000 0.632 535 G HN 0.849 nan 8.290 nan 0.000 0.529 536 V N -0.537 119.332 119.914 -0.075 0.000 2.599 536 V HA 0.369 4.488 4.120 -0.001 0.000 0.237 536 V C 0.821 176.851 176.094 -0.106 0.000 1.081 536 V CA 1.547 63.785 62.300 -0.102 0.000 1.107 536 V CB 0.369 32.095 31.823 -0.161 0.000 0.808 536 V HN 0.335 nan 8.190 nan 0.000 0.486 537 E N 0.428 120.555 120.200 -0.122 0.000 2.308 537 E HA 0.275 4.624 4.350 -0.001 0.000 0.275 537 E C -1.572 174.992 176.600 -0.059 0.000 0.890 537 E CA -0.482 55.859 56.400 -0.097 0.000 0.754 537 E CB 2.095 31.714 29.700 -0.135 0.000 1.207 537 E HN 0.113 nan 8.360 nan 0.000 0.426 538 D N 1.697 122.083 120.400 -0.024 0.000 2.383 538 D HA 0.069 4.709 4.640 -0.001 0.000 0.245 538 D C 0.533 176.833 176.300 -0.001 0.000 1.263 538 D CA 0.293 54.299 54.000 0.009 0.000 0.936 538 D CB 0.358 41.172 40.800 0.023 0.000 1.053 538 D HN 0.385 nan 8.370 nan 0.000 0.507 539 S N 2.633 118.326 115.700 -0.010 0.000 2.628 539 S HA 0.188 4.657 4.470 -0.001 0.000 0.246 539 S C 0.821 175.410 174.600 -0.019 0.000 1.062 539 S CA -0.492 57.692 58.200 -0.027 0.000 1.028 539 S CB 0.693 63.855 63.200 -0.063 0.000 0.985 539 S HN 0.223 nan 8.310 nan 0.000 0.551 540 R N 2.939 123.431 120.500 -0.012 0.000 2.390 540 R HA 0.433 4.773 4.340 -0.001 0.000 0.291 540 R C -0.089 176.243 176.300 0.053 0.000 1.070 540 R CA 0.211 56.287 56.100 -0.041 0.000 1.014 540 R CB 0.914 31.079 30.300 -0.225 0.000 1.007 540 R HN 0.493 nan 8.270 nan 0.000 0.466 541 T N -0.627 113.960 114.554 0.054 0.000 2.889 541 T HA 0.178 4.528 4.350 -0.001 0.000 0.291 541 T C 0.323 175.128 174.700 0.175 0.000 0.995 541 T CA -0.697 61.463 62.100 0.099 0.000 1.092 541 T CB 1.411 70.323 68.868 0.074 0.000 0.954 541 T HN 0.315 nan 8.240 nan 0.000 0.506 542 T N 3.792 118.460 114.554 0.191 0.000 2.817 542 T HA 0.354 4.703 4.350 -0.001 0.000 0.293 542 T C 0.545 175.352 174.700 0.178 0.000 0.964 542 T CA -0.461 61.775 62.100 0.226 0.000 1.085 542 T CB 0.084 69.046 68.868 0.158 0.000 0.921 542 T HN 0.564 nan 8.240 nan 0.000 0.502 543 I N 4.238 124.934 120.570 0.208 0.000 2.436 543 I HA 0.175 4.344 4.170 -0.001 0.000 0.289 543 I C 0.193 176.398 176.117 0.145 0.000 1.083 543 I CA 0.021 61.422 61.300 0.168 0.000 1.372 543 I CB 0.196 38.299 38.000 0.172 0.000 1.408 543 I HN 0.461 nan 8.210 nan 0.000 0.516 544 I N 8.080 128.720 120.570 0.117 0.000 2.297 544 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 544 I C -0.167 176.011 176.117 0.102 0.000 1.033 544 I CA -0.119 61.242 61.300 0.101 0.000 1.253 544 I CB 0.433 38.480 38.000 0.078 0.000 1.396 544 I HN 0.385 nan 8.210 nan 0.000 0.476 545 L N 5.774 127.061 121.223 0.107 0.000 2.341 545 L HA 0.957 5.297 4.340 -0.001 0.000 0.267 545 L C 0.119 177.047 176.870 0.097 0.000 1.009 545 L CA -0.699 54.203 54.840 0.105 0.000 0.819 545 L CB 2.210 44.338 42.059 0.116 0.000 1.323 545 L HN 0.699 nan 8.230 nan 0.000 0.425 546 G N 0.079 108.932 108.800 0.089 0.000 2.473 546 G HA2 0.126 4.086 3.960 -0.001 0.000 0.298 546 G HA3 0.126 4.086 3.960 -0.001 0.000 0.298 546 G C -0.198 174.744 174.900 0.070 0.000 1.575 546 G CA -0.421 44.727 45.100 0.081 0.000 0.846 546 G HN 0.716 nan 8.290 nan 0.000 0.585 547 E N 0.043 120.282 120.200 0.066 0.000 2.160 547 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 547 E C 0.713 177.341 176.600 0.046 0.000 0.991 547 E CA 1.567 57.999 56.400 0.054 0.000 0.810 547 E CB 0.150 29.878 29.700 0.047 0.000 0.742 547 E HN 0.426 nan 8.360 nan 0.000 0.466 548 D N -0.463 119.965 120.400 0.046 0.000 2.388 548 D HA 0.097 4.736 4.640 -0.001 0.000 0.221 548 D C 0.924 177.249 176.300 0.042 0.000 1.133 548 D CA 0.109 54.132 54.000 0.039 0.000 0.831 548 D CB 0.920 41.741 40.800 0.034 0.000 0.962 548 D HN 0.283 nan 8.370 nan 0.000 0.502 549 I N -0.862 119.737 120.570 0.049 0.000 4.420 549 I HA 0.177 4.347 4.170 -0.001 0.000 0.292 549 I C -1.402 174.750 176.117 0.060 0.000 1.153 549 I CA 0.123 61.453 61.300 0.051 0.000 1.315 549 I CB 1.295 39.325 38.000 0.051 0.000 1.616 549 I HN -0.151 nan 8.210 nan 0.000 0.450 550 L N 1.512 122.776 121.223 0.069 0.000 2.795 550 L HA 0.491 4.831 4.340 -0.001 0.000 0.260 550 L C -2.495 174.427 176.870 0.088 0.000 0.935 550 L CA -0.815 54.074 54.840 0.082 0.000 0.985 550 L CB 1.644 43.758 42.059 0.092 0.000 1.433 550 L HN -0.146 nan 8.230 nan 0.000 0.447 551 P HA 0.087 nan 4.420 nan 0.000 0.224 551 P C -0.224 177.134 177.300 0.096 0.000 1.157 551 P CA 0.885 64.036 63.100 0.084 0.000 0.799 551 P CB 0.332 32.075 31.700 0.072 0.000 0.809 552 S N -2.353 113.416 115.700 0.115 0.000 2.615 552 S HA 0.725 5.194 4.470 -0.001 0.000 0.269 552 S C -1.362 173.346 174.600 0.181 0.000 1.161 552 S CA -0.737 57.541 58.200 0.129 0.000 0.817 552 S CB 2.383 65.653 63.200 0.118 0.000 1.131 552 S HN -0.122 nan 8.310 nan 0.000 0.467 553 K N 0.705 121.222 120.400 0.195 0.000 2.553 553 K HA 0.552 4.872 4.320 -0.001 0.000 0.250 553 K C -1.974 174.811 176.600 0.309 0.000 0.953 553 K CA -0.227 56.221 56.287 0.268 0.000 0.800 553 K CB 0.849 33.462 32.500 0.188 0.000 1.243 553 K HN 0.840 nan 8.250 nan 0.000 0.435 554 H N 0.973 120.195 119.070 0.253 0.000 2.683 554 H HA 0.417 4.972 4.556 -0.001 0.000 0.339 554 H C -0.128 175.434 175.328 0.390 0.000 1.081 554 H CA -0.041 56.210 56.048 0.337 0.000 1.432 554 H CB 0.903 30.962 29.762 0.494 0.000 1.462 554 H HN 0.398 nan 8.280 nan 0.000 0.557 555 V N 1.010 121.183 119.914 0.431 0.000 2.962 555 V HA 0.776 4.895 4.120 -0.001 0.000 0.313 555 V C -0.709 175.717 176.094 0.554 0.000 1.099 555 V CA -0.872 61.673 62.300 0.407 0.000 0.971 555 V CB 2.106 33.894 31.823 -0.058 0.000 1.028 555 V HN 0.460 nan 8.190 nan 0.000 0.430 556 V N 3.983 124.246 119.914 0.582 0.000 2.709 556 V HA 0.629 4.749 4.120 -0.001 0.000 0.308 556 V C -0.462 175.990 176.094 0.596 0.000 1.062 556 V CA -0.386 62.220 62.300 0.510 0.000 0.901 556 V CB 1.895 33.857 31.823 0.232 0.000 1.003 556 V HN 0.948 nan 8.190 nan 0.000 0.425 557 M N 4.049 123.971 119.600 0.537 0.000 2.404 557 M HA 0.489 4.969 4.480 -0.001 0.000 0.338 557 M C -0.476 176.100 176.300 0.460 0.000 1.150 557 M CA -0.219 55.374 55.300 0.490 0.000 1.016 557 M CB 1.135 33.967 32.600 0.387 0.000 1.672 557 M HN 0.749 nan 8.290 nan 0.000 0.448 558 H N 1.950 121.249 119.070 0.383 0.000 2.469 558 H HA 0.480 5.035 4.556 -0.001 0.000 0.342 558 H C -1.346 174.116 175.328 0.223 0.000 1.115 558 H CA -0.604 55.630 56.048 0.310 0.000 1.204 558 H CB 1.188 31.202 29.762 0.419 0.000 1.492 558 H HN 0.651 nan 8.280 nan 0.000 0.499 559 N N 3.057 121.538 118.700 -0.364 0.000 2.569 559 N HA 0.038 4.777 4.740 -0.001 0.000 0.254 559 N C 0.274 175.448 175.510 -0.559 0.000 1.004 559 N CA -0.308 52.528 53.050 -0.357 0.000 0.904 559 N CB 1.608 39.993 38.487 -0.170 0.000 1.165 559 N HN 0.628 nan 8.380 nan 0.000 0.513 560 T N 2.926 117.207 114.554 -0.455 0.000 3.085 560 T HA 0.180 4.529 4.350 -0.001 0.000 0.263 560 T C 0.653 175.316 174.700 -0.062 0.000 1.127 560 T CA 0.423 62.413 62.100 -0.183 0.000 1.103 560 T CB -0.246 68.650 68.868 0.047 0.000 0.921 560 T HN 0.417 nan 8.240 nan 0.000 0.510 561 L N 2.853 123.988 121.223 -0.147 0.000 2.371 561 L HA 0.321 4.660 4.340 -0.001 0.000 0.272 561 L C -1.608 175.125 176.870 -0.227 0.000 1.124 561 L CA -1.966 52.755 54.840 -0.197 0.000 0.816 561 L CB 0.782 42.599 42.059 -0.405 0.000 1.129 561 L HN -0.049 nan 8.230 nan 0.000 0.448 562 P HA 0.046 nan 4.420 nan 0.000 0.243 562 P C -0.955 176.374 177.300 0.048 0.000 1.668 562 P CA 0.332 63.432 63.100 0.000 0.000 0.898 562 P CB -0.364 31.391 31.700 0.092 0.000 1.637 563 H N -3.198 115.897 119.070 0.041 0.000 3.012 563 H HA 0.239 4.794 4.556 -0.001 0.000 0.367 563 H C -1.012 174.352 175.328 0.059 0.000 1.211 563 H CA -1.081 55.014 56.048 0.077 0.000 1.139 563 H CB -0.013 29.822 29.762 0.121 0.000 1.838 563 H HN -0.132 nan 8.280 nan 0.000 0.550 564 W N 1.750 123.166 121.300 0.194 0.000 2.257 564 W HA 0.204 4.863 4.660 -0.001 0.000 0.337 564 W C 0.913 177.544 176.519 0.186 0.000 1.321 564 W CA 0.440 57.866 57.345 0.134 0.000 1.267 564 W CB 0.412 29.938 29.460 0.109 0.000 1.187 564 W HN 0.510 nan 8.180 nan 0.000 0.565 565 R N 2.450 123.157 120.500 0.346 0.000 2.574 565 R HA 0.292 4.632 4.340 -0.001 0.000 0.288 565 R C -0.992 175.445 176.300 0.228 0.000 1.004 565 R CA -0.650 55.605 56.100 0.258 0.000 0.895 565 R CB 1.343 31.721 30.300 0.129 0.000 1.191 565 R HN 0.498 nan 8.270 nan 0.000 0.444 566 E N 2.541 122.853 120.200 0.187 0.000 2.204 566 E HA 0.248 4.597 4.350 -0.001 0.000 0.276 566 E C -1.184 175.465 176.600 0.082 0.000 0.974 566 E CA -0.774 55.711 56.400 0.142 0.000 0.815 566 E CB 2.334 32.111 29.700 0.129 0.000 1.119 566 E HN 0.415 nan 8.360 nan 0.000 0.393 567 Q N 2.889 122.714 119.800 0.042 0.000 2.386 567 Q HA 0.243 4.583 4.340 -0.001 0.000 0.274 567 Q C -1.504 174.456 176.000 -0.067 0.000 1.011 567 Q CA -0.598 55.200 55.803 -0.009 0.000 0.867 567 Q CB 1.407 30.130 28.738 -0.026 0.000 1.409 567 Q HN 0.548 nan 8.270 nan 0.000 0.395 568 L N 3.203 124.381 121.223 -0.075 0.000 2.453 568 L HA 0.329 4.668 4.340 -0.001 0.000 0.272 568 L C 0.224 176.960 176.870 -0.223 0.000 1.182 568 L CA -0.273 54.485 54.840 -0.136 0.000 0.858 568 L CB 0.548 42.563 42.059 -0.074 0.000 1.120 568 L HN 0.490 nan 8.230 nan 0.000 0.474 569 V N -0.616 119.062 119.914 -0.394 0.000 2.823 569 V HA 0.739 4.859 4.120 -0.001 0.000 0.312 569 V C -1.023 174.794 176.094 -0.461 0.000 1.072 569 V CA -0.936 61.084 62.300 -0.466 0.000 0.937 569 V CB 2.102 33.599 31.823 -0.543 0.000 1.013 569 V HN 0.809 nan 8.190 nan 0.000 0.430 570 D N 1.494 121.619 120.400 -0.458 0.000 2.527 570 D HA 0.771 5.410 4.640 -0.001 0.000 0.233 570 D C -1.120 174.847 176.300 -0.555 0.000 1.063 570 D CA -0.516 53.314 54.000 -0.284 0.000 0.880 570 D CB 2.033 42.777 40.800 -0.093 0.000 1.457 570 D HN 0.443 nan 8.370 nan 0.000 0.475 571 F N -0.336 119.667 119.950 0.089 0.000 2.599 571 F HA 0.383 4.909 4.527 -0.001 0.000 0.311 571 F C -0.723 175.222 175.800 0.242 0.000 1.076 571 F CA -1.113 56.952 58.000 0.108 0.000 0.937 571 F CB 1.541 40.652 39.000 0.185 0.000 1.282 571 F HN 0.184 nan 8.300 nan 0.000 0.460 572 Y N 2.103 122.558 120.300 0.258 0.000 2.319 572 Y HA 0.557 5.106 4.550 -0.001 0.000 0.328 572 Y C 0.216 176.239 175.900 0.205 0.000 1.133 572 Y CA -1.442 56.765 58.100 0.178 0.000 1.265 572 Y CB 0.878 39.397 38.460 0.098 0.000 1.218 572 Y HN 0.342 nan 8.280 nan 0.000 0.508 573 V N -0.513 119.605 119.914 0.341 0.000 2.962 573 V HA 0.566 4.686 4.120 -0.001 0.000 0.313 573 V C 0.297 176.529 176.094 0.230 0.000 1.099 573 V CA -0.762 61.697 62.300 0.265 0.000 0.971 573 V CB 1.714 33.691 31.823 0.258 0.000 1.028 573 V HN 0.669 nan 8.190 nan 0.000 0.430 574 S N 0.229 116.043 115.700 0.191 0.000 2.593 574 S HA 0.279 4.749 4.470 -0.001 0.000 0.217 574 S C 0.645 175.380 174.600 0.225 0.000 0.966 574 S CA 0.453 58.755 58.200 0.171 0.000 0.914 574 S CB -0.246 63.024 63.200 0.117 0.000 0.776 574 S HN 1.476 nan 8.310 nan 0.000 0.523 575 S N 1.298 117.128 115.700 0.216 0.000 2.546 575 S HA 0.567 5.037 4.470 -0.001 0.000 0.274 575 S C -2.548 171.956 174.600 -0.160 0.000 1.121 575 S CA -1.391 56.834 58.200 0.041 0.000 0.887 575 S CB 1.949 65.186 63.200 0.063 0.000 1.094 575 S HN 0.013 nan 8.310 nan 0.000 0.474 576 P HA 0.153 nan 4.420 nan 0.000 0.231 576 P C -0.178 176.956 177.300 -0.276 0.000 1.168 576 P CA 0.430 63.127 63.100 -0.673 0.000 0.779 576 P CB -0.151 30.823 31.700 -1.209 0.000 0.844 577 F N 0.925 120.888 119.950 0.022 0.000 2.467 577 F HA 0.280 4.806 4.527 -0.001 0.000 0.349 577 F C 0.426 176.271 175.800 0.075 0.000 1.182 577 F CA -1.048 56.995 58.000 0.071 0.000 1.279 577 F CB 0.077 39.085 39.000 0.013 0.000 1.626 577 F HN -0.334 nan 8.300 nan 0.000 0.596 578 V N 1.276 121.325 119.914 0.224 0.000 2.638 578 V HA 0.613 4.733 4.120 -0.001 0.000 0.306 578 V C -0.389 175.772 176.094 0.111 0.000 1.052 578 V CA -0.886 61.503 62.300 0.149 0.000 0.885 578 V CB 2.299 34.203 31.823 0.134 0.000 0.999 578 V HN 0.522 nan 8.190 nan 0.000 0.424 579 S N 3.430 119.178 115.700 0.080 0.000 2.566 579 S HA 0.885 5.355 4.470 -0.001 0.000 0.298 579 S C -0.908 173.680 174.600 -0.021 0.000 1.083 579 S CA -0.767 57.461 58.200 0.047 0.000 0.978 579 S CB 2.056 65.300 63.200 0.074 0.000 1.073 579 S HN 0.447 nan 8.310 nan 0.000 0.491 580 V N 2.216 122.078 119.914 -0.085 0.000 2.581 580 V HA 0.798 4.918 4.120 -0.001 0.000 0.303 580 V C 0.181 176.189 176.094 -0.144 0.000 1.041 580 V CA -0.455 61.714 62.300 -0.219 0.000 0.907 580 V CB 1.596 33.086 31.823 -0.556 0.000 0.994 580 V HN 1.195 nan 8.190 nan 0.000 0.442 581 T N -0.495 113.995 114.554 -0.108 0.000 2.906 581 T HA 0.625 4.974 4.350 -0.001 0.000 0.295 581 T C -0.799 173.890 174.700 -0.017 0.000 1.075 581 T CA -0.921 61.141 62.100 -0.063 0.000 1.005 581 T CB 2.015 70.838 68.868 -0.074 0.000 1.136 581 T HN 0.722 nan 8.240 nan 0.000 0.498 582 D N 0.703 121.069 120.400 -0.057 0.000 2.447 582 D HA 0.194 4.833 4.640 -0.001 0.000 0.265 582 D C 0.940 177.114 176.300 -0.210 0.000 1.250 582 D CA -1.095 52.761 54.000 -0.241 0.000 1.046 582 D CB 0.267 40.916 40.800 -0.252 0.000 1.095 582 D HN 0.296 nan 8.370 nan 0.000 0.555 583 L N -0.581 120.500 121.223 -0.237 0.000 2.610 583 L HA 0.251 4.591 4.340 -0.001 0.000 0.232 583 L C 1.855 178.652 176.870 -0.122 0.000 1.149 583 L CA 0.773 55.510 54.840 -0.172 0.000 0.872 583 L CB -1.021 40.941 42.059 -0.162 0.000 0.992 583 L HN 0.645 nan 8.230 nan 0.000 0.447 584 A N -1.367 121.386 122.820 -0.112 0.000 2.307 584 A HA 0.098 4.418 4.320 -0.001 0.000 0.218 584 A C 1.142 178.683 177.584 -0.071 0.000 1.228 584 A CA 0.120 52.108 52.037 -0.081 0.000 0.857 584 A CB -0.442 18.516 19.000 -0.070 0.000 0.897 584 A HN 0.497 nan 8.150 nan 0.000 0.495 585 N N 0.009 118.660 118.700 -0.081 0.000 2.800 585 N HA -0.131 4.608 4.740 -0.001 0.000 0.250 585 N C -1.026 174.444 175.510 -0.067 0.000 1.078 585 N CA 0.629 53.638 53.050 -0.068 0.000 0.804 585 N CB -1.212 37.245 38.487 -0.050 0.000 1.135 585 N HN 0.583 nan 8.380 nan 0.000 0.565 586 N N 1.845 120.502 118.700 -0.072 0.000 2.475 586 N HA 0.202 4.942 4.740 -0.001 0.000 0.267 586 N C -2.315 173.134 175.510 -0.103 0.000 1.169 586 N CA -0.558 52.445 53.050 -0.078 0.000 0.947 586 N CB 0.527 38.978 38.487 -0.060 0.000 1.061 586 N HN 0.192 nan 8.380 nan 0.000 0.466 587 P HA 0.040 nan 4.420 nan 0.000 0.268 587 P C -0.416 176.760 177.300 -0.207 0.000 1.205 587 P CA -0.050 62.887 63.100 -0.272 0.000 0.771 587 P CB 0.716 32.000 31.700 -0.692 0.000 0.858 588 V N 2.607 122.442 119.914 -0.131 0.000 2.487 588 V HA 0.220 4.339 4.120 -0.001 0.000 0.298 588 V C 0.548 176.635 176.094 -0.011 0.000 1.028 588 V CA -0.857 61.419 62.300 -0.040 0.000 0.860 588 V CB 1.340 33.153 31.823 -0.016 0.000 0.991 588 V HN 0.559 nan 8.190 nan 0.000 0.427 589 E N 2.985 123.216 120.200 0.051 0.000 2.414 589 E HA 0.461 4.810 4.350 -0.001 0.000 0.263 589 E C -0.196 176.472 176.600 0.114 0.000 1.000 589 E CA 0.133 56.594 56.400 0.102 0.000 0.914 589 E CB 0.846 30.611 29.700 0.108 0.000 0.948 589 E HN 0.900 nan 8.360 nan 0.000 0.444 590 A N 4.182 127.059 122.820 0.095 0.000 2.566 590 A HA 0.430 4.750 4.320 -0.001 0.000 0.292 590 A C -1.357 176.246 177.584 0.032 0.000 1.112 590 A CA -0.717 51.386 52.037 0.110 0.000 0.707 590 A CB 1.967 21.026 19.000 0.099 0.000 1.302 590 A HN 0.663 nan 8.150 nan 0.000 0.409 591 Q N 0.741 120.568 119.800 0.044 0.000 2.347 591 Q HA 0.653 4.993 4.340 -0.001 0.000 0.271 591 Q C -2.029 173.966 176.000 -0.009 0.000 1.064 591 Q CA -0.554 55.233 55.803 -0.026 0.000 0.800 591 Q CB 2.203 30.962 28.738 0.036 0.000 1.304 591 Q HN 0.584 nan 8.270 nan 0.000 0.438 592 V N 2.596 122.433 119.914 -0.128 0.000 2.459 592 V HA 0.579 4.699 4.120 -0.001 0.000 0.295 592 V C -0.536 175.736 176.094 0.297 0.000 1.029 592 V CA -0.316 62.020 62.300 0.059 0.000 0.874 592 V CB 1.830 33.645 31.823 -0.014 0.000 0.985 592 V HN 0.840 nan 8.190 nan 0.000 0.438 593 S N 5.093 121.005 115.700 0.354 0.000 2.599 593 S HA 0.690 5.159 4.470 -0.001 0.000 0.287 593 S C -2.762 171.931 174.600 0.154 0.000 1.105 593 S CA -1.155 57.244 58.200 0.332 0.000 0.899 593 S CB 2.460 65.797 63.200 0.229 0.000 1.100 593 S HN 0.535 nan 8.310 nan 0.000 0.482 594 P HA 0.239 nan 4.420 nan 0.000 0.273 594 P C -1.160 175.832 177.300 -0.513 0.000 1.250 594 P CA -0.492 62.247 63.100 -0.602 0.000 0.793 594 P CB 0.371 31.313 31.700 -1.264 0.000 1.011 595 V N 1.630 121.162 119.914 -0.638 0.000 2.348 595 V HA 0.197 4.316 4.120 -0.001 0.000 0.270 595 V C -0.568 175.224 176.094 -0.502 0.000 1.037 595 V CA -0.174 61.837 62.300 -0.482 0.000 0.872 595 V CB -0.322 31.128 31.823 -0.622 0.000 1.002 595 V HN 0.518 nan 8.190 nan 0.000 0.464 596 W N 3.588 124.806 121.300 -0.137 0.000 2.429 596 W HA 0.625 5.284 4.660 -0.001 0.000 0.314 596 W C 0.415 176.856 176.519 -0.130 0.000 1.062 596 W CA -0.422 56.825 57.345 -0.164 0.000 1.211 596 W CB 1.866 31.235 29.460 -0.152 0.000 1.305 596 W HN 0.582 nan 8.180 nan 0.000 0.476 597 S N 1.599 117.333 115.700 0.057 0.000 2.536 597 S HA 0.615 5.085 4.470 -0.001 0.000 0.298 597 S C -1.342 173.046 174.600 -0.352 0.000 1.083 597 S CA -0.918 57.245 58.200 -0.063 0.000 0.995 597 S CB 1.248 64.401 63.200 -0.079 0.000 1.058 597 S HN 0.418 nan 8.310 nan 0.000 0.488 598 W N 1.511 122.570 121.300 -0.402 0.000 2.496 598 W HA 0.539 5.198 4.660 -0.001 0.000 0.327 598 W C 0.292 176.401 176.519 -0.683 0.000 1.086 598 W CA -0.193 56.916 57.345 -0.394 0.000 1.222 598 W CB 0.995 30.339 29.460 -0.194 0.000 1.304 598 W HN 0.629 nan 8.180 nan 0.000 0.547 599 H N 1.318 120.409 119.070 0.035 0.000 2.667 599 H HA 0.101 4.657 4.556 -0.001 0.000 0.353 599 H C -1.129 174.187 175.328 -0.020 0.000 1.072 599 H CA -1.011 55.009 56.048 -0.046 0.000 1.214 599 H CB 1.716 31.361 29.762 -0.195 0.000 1.600 599 H HN 0.434 nan 8.280 nan 0.000 0.527 600 H N 2.354 121.478 119.070 0.091 0.000 3.004 600 H HA 0.027 4.582 4.556 -0.001 0.000 0.267 600 H C -0.393 174.981 175.328 0.077 0.000 1.165 600 H CA -0.201 55.893 56.048 0.077 0.000 1.450 600 H CB 0.212 30.007 29.762 0.056 0.000 1.488 600 H HN 0.413 nan 8.280 nan 0.000 0.478 601 D N 3.739 123.969 120.400 -0.284 0.000 2.374 601 D HA -0.040 4.599 4.640 -0.001 0.000 0.240 601 D C 0.979 177.105 176.300 -0.291 0.000 1.229 601 D CA 0.126 54.035 54.000 -0.151 0.000 0.895 601 D CB 0.637 41.501 40.800 0.106 0.000 1.046 601 D HN 0.784 nan 8.370 nan 0.000 0.498 602 T N 1.253 115.713 114.554 -0.157 0.000 3.118 602 T HA -0.053 4.297 4.350 -0.001 0.000 0.260 602 T C 1.763 176.444 174.700 -0.032 0.000 1.139 602 T CA -0.003 62.054 62.100 -0.072 0.000 1.085 602 T CB 0.173 69.074 68.868 0.055 0.000 0.934 602 T HN 0.215 nan 8.240 nan 0.000 0.518 603 L N 2.479 123.683 121.223 -0.031 0.000 2.071 603 L HA 0.097 4.436 4.340 -0.001 0.000 0.201 603 L C 3.013 179.873 176.870 -0.017 0.000 1.076 603 L CA 2.263 57.095 54.840 -0.014 0.000 0.755 603 L CB -1.786 40.269 42.059 -0.007 0.000 0.915 603 L HN 0.548 nan 8.230 nan 0.000 0.445 604 T N -3.768 110.775 114.554 -0.018 0.000 3.088 604 T HA -0.025 4.325 4.350 -0.001 0.000 0.259 604 T C 0.773 175.462 174.700 -0.018 0.000 1.122 604 T CA -0.110 61.979 62.100 -0.018 0.000 1.095 604 T CB 0.048 68.900 68.868 -0.026 0.000 0.930 604 T HN 0.136 nan 8.240 nan 0.000 0.508 605 K N 1.997 122.364 120.400 -0.055 0.000 3.125 605 K HA -0.124 4.195 4.320 -0.001 0.000 0.268 605 K C 0.119 176.715 176.600 -0.006 0.000 1.078 605 K CA 1.242 57.499 56.287 -0.051 0.000 0.775 605 K CB -2.864 29.651 32.500 0.025 0.000 1.253 605 K HN 0.872 nan 8.250 nan 0.000 0.486 606 T N -2.698 111.850 114.554 -0.011 0.000 2.916 606 T HA 0.816 5.165 4.350 -0.001 0.000 0.292 606 T C 0.320 175.117 174.700 0.162 0.000 1.064 606 T CA -1.064 61.101 62.100 0.108 0.000 1.011 606 T CB 2.236 71.185 68.868 0.135 0.000 1.152 606 T HN 0.140 nan 8.240 nan 0.000 0.510 607 I N 2.891 123.614 120.570 0.255 0.000 2.355 607 I HA 0.539 4.709 4.170 -0.001 0.000 0.288 607 I C -0.315 176.076 176.117 0.457 0.000 0.999 607 I CA -0.674 60.811 61.300 0.309 0.000 1.163 607 I CB 0.731 38.903 38.000 0.287 0.000 1.316 607 I HN 0.946 nan 8.210 nan 0.000 0.454 608 H N 5.714 124.952 119.070 0.280 0.000 3.037 608 H HA 0.674 5.229 4.556 -0.001 0.000 0.355 608 H C -3.194 171.935 175.328 -0.332 0.000 1.263 608 H CA -2.330 53.727 56.048 0.014 0.000 1.129 608 H CB 1.850 31.609 29.762 -0.006 0.000 1.861 608 H HN 0.148 nan 8.280 nan 0.000 0.546 609 P HA 0.230 nan 4.420 nan 0.000 0.290 609 P C -1.046 176.200 177.300 -0.090 0.000 1.275 609 P CA -0.710 61.878 63.100 -0.854 0.000 0.841 609 P CB 1.833 32.654 31.700 -1.465 0.000 1.042 610 Q N 0.737 120.594 119.800 0.096 0.000 2.342 610 Q HA 0.589 4.928 4.340 -0.001 0.000 0.267 610 Q C 0.148 176.231 176.000 0.139 0.000 1.038 610 Q CA -0.628 55.295 55.803 0.199 0.000 0.832 610 Q CB 2.832 31.656 28.738 0.144 0.000 1.323 610 Q HN 0.580 nan 8.270 nan 0.000 0.448 611 G N 0.602 109.349 108.800 -0.089 0.000 2.389 611 G HA2 0.334 4.293 3.960 -0.001 0.000 0.328 611 G HA3 0.334 4.293 3.960 -0.001 0.000 0.328 611 G C -0.371 174.272 174.900 -0.428 0.000 1.133 611 G CA -0.327 44.397 45.100 -0.627 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.606 114.781 115.700 -0.521 0.000 2.576 612 S HA 0.318 4.788 4.470 -0.001 0.000 0.276 612 S C 1.566 175.893 174.600 -0.456 0.000 1.339 612 S CA 0.253 58.185 58.200 -0.447 0.000 1.039 612 S CB 0.724 63.604 63.200 -0.533 0.000 0.902 612 S HN 0.884 nan 8.310 nan 0.000 0.516 613 T N -0.215 114.160 114.554 -0.298 0.000 3.105 613 T HA 0.168 4.517 4.350 -0.001 0.000 0.253 613 T C 1.031 175.650 174.700 -0.135 0.000 1.047 613 T CA 0.442 62.438 62.100 -0.172 0.000 0.944 613 T CB -0.178 68.646 68.868 -0.073 0.000 1.016 613 T HN 0.699 nan 8.240 nan 0.000 0.544 614 T N -2.024 112.355 114.554 -0.293 0.000 3.080 614 T HA 0.378 4.728 4.350 -0.001 0.000 0.280 614 T C 0.144 174.664 174.700 -0.300 0.000 0.926 614 T CA -0.540 61.458 62.100 -0.170 0.000 0.883 614 T CB 0.272 69.086 68.868 -0.090 0.000 1.194 614 T HN 0.269 nan 8.240 nan 0.000 0.541 615 K N 0.735 120.736 120.400 -0.665 0.000 2.316 615 K HA 0.680 4.999 4.320 -0.001 0.000 0.251 615 K C -1.851 174.122 176.600 -1.045 0.000 0.934 615 K CA -0.798 55.143 56.287 -0.577 0.000 0.802 615 K CB 2.186 34.388 32.500 -0.496 0.000 1.171 615 K HN 0.136 nan 8.250 nan 0.000 0.426 616 Y N 0.002 120.222 120.300 -0.133 0.000 2.581 616 Y HA 0.414 4.963 4.550 -0.001 0.000 0.345 616 Y C -0.207 175.714 175.900 0.035 0.000 1.036 616 Y CA -1.164 56.892 58.100 -0.074 0.000 1.042 616 Y CB 1.808 40.289 38.460 0.036 0.000 1.289 616 Y HN 0.252 nan 8.280 nan 0.000 0.471 617 R N 1.791 122.432 120.500 0.234 0.000 2.265 617 R HA 0.560 4.899 4.340 -0.001 0.000 0.319 617 R C -1.195 175.278 176.300 0.289 0.000 1.006 617 R CA -0.613 55.667 56.100 0.301 0.000 0.880 617 R CB 1.551 32.006 30.300 0.257 0.000 1.077 617 R HN 0.632 nan 8.270 nan 0.000 0.454 618 I N 4.137 124.897 120.570 0.317 0.000 2.412 618 I HA 0.417 4.586 4.170 -0.001 0.000 0.296 618 I C -1.013 175.292 176.117 0.313 0.000 0.987 618 I CA -0.728 60.750 61.300 0.296 0.000 1.180 618 I CB 0.990 39.175 38.000 0.309 0.000 1.340 618 I HN 0.538 nan 8.210 nan 0.000 0.455 619 I N 8.175 128.901 120.570 0.260 0.000 2.533 619 I HA 0.503 4.673 4.170 -0.001 0.000 0.290 619 I C -1.047 175.223 176.117 0.256 0.000 1.056 619 I CA -0.475 60.923 61.300 0.164 0.000 1.057 619 I CB 1.691 39.746 38.000 0.093 0.000 1.240 619 I HN 0.512 nan 8.210 nan 0.000 0.423 620 F N 2.933 122.905 119.950 0.037 0.000 2.713 620 F HA 0.566 5.092 4.527 -0.001 0.000 0.311 620 F C -1.084 174.697 175.800 -0.031 0.000 1.141 620 F CA -1.315 56.685 58.000 0.000 0.000 0.939 620 F CB 1.315 40.303 39.000 -0.021 0.000 1.325 620 F HN 0.223 nan 8.300 nan 0.000 0.453 621 K N 2.047 122.548 120.400 0.167 0.000 2.285 621 K HA 0.728 5.047 4.320 -0.001 0.000 0.286 621 K C -0.641 176.015 176.600 0.092 0.000 1.072 621 K CA -0.325 55.996 56.287 0.056 0.000 0.913 621 K CB 0.780 33.340 32.500 0.100 0.000 1.067 621 K HN 0.942 nan 8.250 nan 0.000 0.479 622 A N 4.718 127.495 122.820 -0.072 0.000 2.310 622 A HA 0.380 4.700 4.320 -0.001 0.000 0.299 622 A C -0.594 177.127 177.584 0.228 0.000 1.147 622 A CA -0.660 51.408 52.037 0.052 0.000 0.818 622 A CB 0.610 19.595 19.000 -0.026 0.000 1.096 622 A HN 0.887 nan 8.150 nan 0.000 0.495 623 R N 2.163 122.909 120.500 0.411 0.000 2.409 623 R HA 0.598 4.938 4.340 -0.001 0.000 0.313 623 R C -1.876 174.687 176.300 0.438 0.000 0.953 623 R CA -0.237 56.093 56.100 0.385 0.000 0.849 623 R CB 1.290 31.800 30.300 0.351 0.000 1.171 623 R HN 0.501 nan 8.270 nan 0.000 0.458 624 V N 6.098 126.224 119.914 0.352 0.000 2.656 624 V HA 0.469 4.589 4.120 -0.001 0.000 0.307 624 V C -2.258 173.733 176.094 -0.171 0.000 1.051 624 V CA -2.344 60.053 62.300 0.162 0.000 0.893 624 V CB 1.924 33.820 31.823 0.121 0.000 0.999 624 V HN 0.779 nan 8.190 nan 0.000 0.426 625 P HA 0.227 nan 4.420 nan 0.000 0.271 625 P C -2.750 174.068 177.300 -0.803 0.000 1.244 625 P CA -1.374 60.819 63.100 -1.511 0.000 0.793 625 P CB -0.246 30.764 31.700 -1.149 0.000 0.984 626 P HA 0.099 nan 4.420 nan 0.000 0.267 626 P C 0.085 177.349 177.300 -0.059 0.000 1.205 626 P CA 0.530 63.446 63.100 -0.306 0.000 0.765 626 P CB -0.229 31.362 31.700 -0.182 0.000 0.828 627 M N 0.287 119.898 119.600 0.017 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.575 177.086 176.300 0.353 0.000 0.342 627 M CA 0.962 56.413 55.300 0.251 0.000 0.417 627 M CB -2.102 30.741 32.600 0.404 0.000 1.338 627 M HN 0.576 nan 8.290 nan 0.000 0.920 628 G N -0.144 108.718 108.800 0.103 0.000 3.105 628 G HA2 0.941 4.901 3.960 -0.001 0.000 0.277 628 G HA3 0.941 4.901 3.960 -0.001 0.000 0.277 628 G C -1.354 173.681 174.900 0.226 0.000 1.375 628 G CA -0.971 44.159 45.100 0.050 0.000 0.962 628 G HN 0.184 nan 8.290 nan 0.000 0.541 629 L N -0.455 120.879 121.223 0.186 0.000 2.409 629 L HA 0.779 5.118 4.340 -0.001 0.000 0.262 629 L C -0.281 176.682 176.870 0.157 0.000 0.992 629 L CA -1.010 53.967 54.840 0.228 0.000 0.817 629 L CB 2.491 44.685 42.059 0.226 0.000 1.350 629 L HN 0.758 nan 8.230 nan 0.000 0.411 630 A N 0.948 123.899 122.820 0.219 0.000 2.398 630 A HA 0.809 5.129 4.320 -0.001 0.000 0.301 630 A C -0.733 176.992 177.584 0.235 0.000 1.041 630 A CA -0.455 51.694 52.037 0.186 0.000 0.711 630 A CB 1.669 20.832 19.000 0.273 0.000 1.240 630 A HN 0.556 nan 8.150 nan 0.000 0.420 631 T N 2.250 116.839 114.554 0.057 0.000 2.829 631 T HA 0.629 4.978 4.350 -0.001 0.000 0.282 631 T C -1.013 173.582 174.700 -0.175 0.000 0.990 631 T CA 0.292 62.466 62.100 0.123 0.000 1.028 631 T CB 0.279 69.222 68.868 0.126 0.000 0.951 631 T HN 0.436 nan 8.240 nan 0.000 0.460 632 Y N 0.393 120.778 120.300 0.143 0.000 2.602 632 Y HA 0.667 5.217 4.550 -0.001 0.000 0.342 632 Y C -0.288 175.537 175.900 -0.125 0.000 1.029 632 Y CA -1.187 56.912 58.100 -0.002 0.000 1.080 632 Y CB 1.679 40.157 38.460 0.031 0.000 1.284 632 Y HN 0.298 nan 8.280 nan 0.000 0.485 633 V N 3.234 123.118 119.914 -0.050 0.000 2.588 633 V HA 0.436 4.555 4.120 -0.001 0.000 0.304 633 V C -0.761 175.284 176.094 -0.081 0.000 1.042 633 V CA -0.947 61.263 62.300 -0.150 0.000 0.877 633 V CB 1.690 33.361 31.823 -0.253 0.000 0.996 633 V HN 0.498 nan 8.190 nan 0.000 0.425 634 L N 3.939 125.143 121.223 -0.032 0.000 2.296 634 L HA 0.701 5.041 4.340 -0.001 0.000 0.286 634 L C -0.103 176.790 176.870 0.038 0.000 1.023 634 L CA -0.148 54.686 54.840 -0.009 0.000 0.812 634 L CB 1.792 43.860 42.059 0.015 0.000 1.223 634 L HN 0.588 nan 8.230 nan 0.000 0.421 635 T N 3.680 118.259 114.554 0.042 0.000 2.848 635 T HA 0.456 4.805 4.350 -0.001 0.000 0.285 635 T C -0.253 174.498 174.700 0.085 0.000 0.995 635 T CA -0.378 61.760 62.100 0.062 0.000 0.970 635 T CB 2.330 71.225 68.868 0.044 0.000 0.976 635 T HN 0.391 nan 8.240 nan 0.000 0.441 636 I N 3.183 123.812 120.570 0.097 0.000 2.662 636 I HA 0.539 4.709 4.170 -0.001 0.000 0.291 636 I C 0.297 176.479 176.117 0.108 0.000 1.046 636 I CA 0.174 61.546 61.300 0.121 0.000 1.361 636 I CB 0.746 38.820 38.000 0.123 0.000 1.429 636 I HN 0.827 nan 8.210 nan 0.000 0.558 637 S N 2.719 118.498 115.700 0.132 0.000 2.697 637 S HA 0.400 4.870 4.470 -0.001 0.000 0.289 637 S C -0.057 174.570 174.600 0.045 0.000 1.149 637 S CA -0.744 57.498 58.200 0.071 0.000 0.850 637 S CB 1.556 64.781 63.200 0.042 0.000 1.151 637 S HN 0.636 nan 8.310 nan 0.000 0.491 638 D N 1.259 121.630 120.400 -0.050 0.000 2.219 638 D HA 0.115 4.755 4.640 -0.001 0.000 0.205 638 D C 0.974 177.007 176.300 -0.445 0.000 0.970 638 D CA 1.611 55.535 54.000 -0.126 0.000 0.851 638 D CB -0.002 40.735 40.800 -0.105 0.000 0.943 638 D HN 0.673 nan 8.370 nan 0.000 0.488 639 S N -1.464 113.902 115.700 -0.557 0.000 2.720 639 S HA 0.373 4.843 4.470 -0.001 0.000 0.287 639 S C -0.825 173.399 174.600 -0.626 0.000 1.168 639 S CA -1.228 56.398 58.200 -0.957 0.000 0.832 639 S CB 1.602 64.504 63.200 -0.497 0.000 1.166 639 S HN -0.182 nan 8.310 nan 0.000 0.493 640 K N 1.980 122.115 120.400 -0.443 0.000 2.437 640 K HA 0.162 4.481 4.320 -0.001 0.000 0.277 640 K C -2.373 174.271 176.600 0.073 0.000 1.073 640 K CA -0.536 55.794 56.287 0.071 0.000 1.105 640 K CB -0.594 31.971 32.500 0.108 0.000 0.881 640 K HN 0.385 nan 8.250 nan 0.000 0.475 641 P HA 0.001 nan 4.420 nan 0.000 0.274 641 P C 0.528 177.850 177.300 0.036 0.000 1.237 641 P CA -0.328 62.823 63.100 0.085 0.000 0.793 641 P CB 0.708 32.479 31.700 0.119 0.000 0.977 642 E N 0.746 120.924 120.200 -0.038 0.000 2.118 642 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 642 E C 0.541 176.946 176.600 -0.325 0.000 0.992 642 E CA 1.142 57.418 56.400 -0.207 0.000 0.804 642 E CB -0.027 29.479 29.700 -0.324 0.000 0.741 642 E HN 0.479 nan 8.360 nan 0.000 0.458 643 H N -0.809 118.274 119.070 0.021 0.000 2.505 643 H HA 0.226 4.782 4.556 -0.001 0.000 0.286 643 H C -0.406 174.918 175.328 -0.006 0.000 1.072 643 H CA 0.164 56.218 56.048 0.011 0.000 1.141 643 H CB 0.814 30.581 29.762 0.008 0.000 1.550 643 H HN -0.053 nan 8.280 nan 0.000 0.547 644 T N 1.505 116.083 114.554 0.041 0.000 2.824 644 T HA 0.327 4.677 4.350 -0.001 0.000 0.282 644 T C 0.284 174.871 174.700 -0.188 0.000 0.993 644 T CA -0.687 61.369 62.100 -0.073 0.000 0.967 644 T CB 2.184 71.004 68.868 -0.080 0.000 0.960 644 T HN 0.266 nan 8.240 nan 0.000 0.441 645 S N 2.273 117.814 115.700 -0.264 0.000 2.718 645 S HA 0.786 5.255 4.470 -0.001 0.000 0.300 645 S C -1.411 172.845 174.600 -0.573 0.000 1.117 645 S CA -0.815 57.244 58.200 -0.235 0.000 1.002 645 S CB 0.886 64.057 63.200 -0.048 0.000 1.092 645 S HN 0.572 nan 8.310 nan 0.000 0.542 646 Y N 0.018 120.321 120.300 0.004 0.000 2.376 646 Y HA 0.653 5.203 4.550 -0.001 0.000 0.340 646 Y C 0.583 176.532 175.900 0.083 0.000 0.965 646 Y CA -0.782 57.303 58.100 -0.026 0.000 1.078 646 Y CB 1.691 39.996 38.460 -0.258 0.000 1.193 646 Y HN 1.032 nan 8.280 nan 0.000 0.452 647 A N 2.058 125.065 122.820 0.310 0.000 2.407 647 A HA 0.496 4.816 4.320 -0.001 0.000 0.248 647 A C 0.108 177.889 177.584 0.330 0.000 1.082 647 A CA -0.351 51.858 52.037 0.286 0.000 0.785 647 A CB 0.096 19.266 19.000 0.283 0.000 1.020 647 A HN 0.706 nan 8.150 nan 0.000 0.489 648 S N 1.365 117.197 115.700 0.219 0.000 2.617 648 S HA 0.382 4.851 4.470 -0.001 0.000 0.269 648 S C -0.041 174.660 174.600 0.169 0.000 1.292 648 S CA -0.646 57.667 58.200 0.187 0.000 1.010 648 S CB 0.397 63.666 63.200 0.115 0.000 0.944 648 S HN 0.743 nan 8.310 nan 0.000 0.536 649 N N 1.125 119.904 118.700 0.132 0.000 2.310 649 N HA 0.464 5.204 4.740 -0.001 0.000 0.292 649 N C -1.814 173.651 175.510 -0.075 0.000 1.049 649 N CA -0.561 52.527 53.050 0.063 0.000 0.849 649 N CB 2.222 40.837 38.487 0.212 0.000 1.532 649 N HN 0.326 nan 8.380 nan 0.000 0.479 650 L N 2.667 123.801 121.223 -0.148 0.000 2.404 650 L HA 0.480 4.820 4.340 -0.001 0.000 0.272 650 L C -1.489 175.229 176.870 -0.253 0.000 0.980 650 L CA -0.561 54.161 54.840 -0.197 0.000 0.836 650 L CB 1.501 43.498 42.059 -0.102 0.000 1.238 650 L HN 0.428 nan 8.230 nan 0.000 0.408 651 L N 6.718 127.737 121.223 -0.339 0.000 2.265 651 L HA 0.463 4.803 4.340 -0.001 0.000 0.289 651 L C -1.191 175.656 176.870 -0.039 0.000 1.033 651 L CA -0.378 54.325 54.840 -0.228 0.000 0.814 651 L CB 1.211 43.121 42.059 -0.248 0.000 1.203 651 L HN 0.674 nan 8.230 nan 0.000 0.423 652 L N 6.990 128.207 121.223 -0.010 0.000 2.262 652 L HA 0.545 4.885 4.340 -0.001 0.000 0.288 652 L C -0.258 176.651 176.870 0.065 0.000 1.035 652 L CA -0.493 54.371 54.840 0.039 0.000 0.820 652 L CB 0.954 43.029 42.059 0.026 0.000 1.204 652 L HN 0.662 nan 8.230 nan 0.000 0.424 653 R N 1.937 122.486 120.500 0.082 0.000 2.753 653 R HA 0.437 4.777 4.340 -0.001 0.000 0.272 653 R C -1.674 174.659 176.300 0.054 0.000 1.034 653 R CA -1.073 55.067 56.100 0.068 0.000 0.869 653 R CB 1.050 31.390 30.300 0.066 0.000 1.264 653 R HN 0.089 nan 8.270 nan 0.000 0.481 654 K N 1.657 122.078 120.400 0.035 0.000 2.270 654 K HA 0.143 4.462 4.320 -0.001 0.000 0.276 654 K C -0.240 176.355 176.600 -0.007 0.000 1.023 654 K CA -0.410 55.887 56.287 0.016 0.000 0.955 654 K CB 0.506 33.015 32.500 0.015 0.000 0.975 654 K HN 0.820 nan 8.250 nan 0.000 0.471 655 N N 0.866 119.549 118.700 -0.028 0.000 2.771 655 N HA -0.101 4.639 4.740 -0.001 0.000 0.249 655 N C -2.648 172.804 175.510 -0.095 0.000 1.069 655 N CA 0.082 53.096 53.050 -0.060 0.000 0.688 655 N CB -0.798 37.658 38.487 -0.052 0.000 0.928 655 N HN 0.408 nan 8.380 nan 0.000 0.551 656 P HA 0.312 nan 4.420 nan 0.000 0.277 656 P C -0.216 176.894 177.300 -0.317 0.000 1.240 656 P CA -0.054 62.925 63.100 -0.201 0.000 0.798 656 P CB 0.967 32.517 31.700 -0.251 0.000 0.979 657 T N -2.397 111.970 114.554 -0.312 0.000 2.930 657 T HA 0.502 4.851 4.350 -0.001 0.000 0.290 657 T C 0.272 174.781 174.700 -0.318 0.000 1.052 657 T CA -0.773 61.154 62.100 -0.289 0.000 1.017 657 T CB 0.616 69.387 68.868 -0.162 0.000 1.137 657 T HN 0.465 nan 8.240 nan 0.000 0.511 658 S N 0.676 116.249 115.700 -0.212 0.000 2.569 658 S HA 0.357 4.827 4.470 -0.001 0.000 0.274 658 S C -0.169 174.534 174.600 0.171 0.000 1.353 658 S CA -0.723 57.461 58.200 -0.027 0.000 1.023 658 S CB -0.368 62.831 63.200 -0.003 0.000 0.876 658 S HN 0.686 nan 8.310 nan 0.000 0.540 659 L N 2.291 123.715 121.223 0.336 0.000 2.481 659 L HA 0.377 4.716 4.340 -0.001 0.000 0.255 659 L C -2.365 174.607 176.870 0.170 0.000 1.192 659 L CA -1.614 53.390 54.840 0.275 0.000 0.924 659 L CB 1.593 43.895 42.059 0.406 0.000 1.179 659 L HN 0.587 nan 8.230 nan 0.000 0.491 660 P HA 0.197 nan 4.420 nan 0.000 0.274 660 P C -0.051 177.245 177.300 -0.007 0.000 1.231 660 P CA -0.174 62.960 63.100 0.056 0.000 0.790 660 P CB 1.673 33.397 31.700 0.039 0.000 0.951 661 L N 0.909 122.138 121.223 0.010 0.000 3.366 661 L HA 0.279 4.619 4.340 -0.001 0.000 0.304 661 L C 1.410 178.348 176.870 0.114 0.000 1.292 661 L CA -0.095 54.731 54.840 -0.024 0.000 1.012 661 L CB 0.042 42.056 42.059 -0.075 0.000 1.414 661 L HN 0.723 nan 8.230 nan 0.000 0.603 662 G N 1.164 110.012 108.800 0.081 0.000 2.622 662 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.307 662 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.307 662 G C 0.562 175.522 174.900 0.100 0.000 1.226 662 G CA 0.791 45.956 45.100 0.109 0.000 0.997 662 G HN 0.459 nan 8.290 nan 0.000 0.551 663 Q N -0.519 119.321 119.800 0.067 0.000 2.472 663 Q HA 0.186 4.525 4.340 -0.001 0.000 0.208 663 Q C 0.840 176.688 176.000 -0.253 0.000 0.958 663 Q CA 0.225 55.973 55.803 -0.092 0.000 0.932 663 Q CB 0.264 28.870 28.738 -0.220 0.000 1.007 663 Q HN 0.504 nan 8.270 nan 0.000 0.508 664 Y N 3.904 124.013 120.300 -0.318 0.000 2.802 664 Y HA -0.060 4.490 4.550 -0.001 0.000 0.333 664 Y C -1.460 174.295 175.900 -0.241 0.000 1.244 664 Y CA -1.445 56.446 58.100 -0.348 0.000 1.558 664 Y CB 0.817 39.235 38.460 -0.071 0.000 1.233 664 Y HN 0.062 nan 8.280 nan 0.000 0.547 665 P HA -0.068 nan 4.420 nan 0.000 0.237 665 P C -0.600 176.561 177.300 -0.232 0.000 1.178 665 P CA 0.979 63.830 63.100 -0.416 0.000 0.766 665 P CB 0.495 31.837 31.700 -0.597 0.000 0.876 666 E N 1.001 121.100 120.200 -0.167 0.000 2.158 666 E HA 0.222 4.572 4.350 -0.001 0.000 0.271 666 E C -0.444 176.283 176.600 0.212 0.000 0.911 666 E CA -0.551 55.891 56.400 0.069 0.000 0.767 666 E CB 1.184 30.975 29.700 0.151 0.000 1.120 666 E HN 0.032 nan 8.360 nan 0.000 0.405 667 D N 1.318 121.799 120.400 0.135 0.000 2.345 667 D HA 0.092 4.732 4.640 -0.001 0.000 0.247 667 D C 0.168 176.536 176.300 0.113 0.000 1.108 667 D CA -0.267 53.815 54.000 0.135 0.000 0.894 667 D CB 1.170 42.035 40.800 0.109 0.000 1.203 667 D HN 0.031 nan 8.370 nan 0.000 0.430 668 V N 3.459 123.424 119.914 0.084 0.000 2.763 668 V HA -0.012 4.108 4.120 -0.001 0.000 0.306 668 V C 0.787 176.740 176.094 -0.234 0.000 1.059 668 V CA 0.116 62.370 62.300 -0.076 0.000 1.138 668 V CB 0.429 32.172 31.823 -0.133 0.000 0.940 668 V HN 0.312 nan 8.190 nan 0.000 0.489 669 K N 3.594 123.798 120.400 -0.325 0.000 2.156 669 K HA 0.655 4.974 4.320 -0.001 0.000 0.250 669 K C -0.948 175.318 176.600 -0.557 0.000 0.955 669 K CA -0.359 55.772 56.287 -0.259 0.000 0.855 669 K CB 1.683 34.139 32.500 -0.074 0.000 1.101 669 K HN 0.410 nan 8.250 nan 0.000 0.434 670 F N -0.840 119.123 119.950 0.022 0.000 2.577 670 F HA 0.704 5.230 4.527 -0.001 0.000 0.318 670 F C 0.701 176.505 175.800 0.008 0.000 1.065 670 F CA -0.603 57.401 58.000 0.006 0.000 0.929 670 F CB 2.672 41.674 39.000 0.003 0.000 1.237 670 F HN 0.597 nan 8.300 nan 0.000 0.468 671 G N 0.330 109.239 108.800 0.182 0.000 2.576 671 G HA2 0.390 4.350 3.960 -0.001 0.000 0.290 671 G HA3 0.390 4.350 3.960 -0.001 0.000 0.290 671 G C -2.126 172.827 174.900 0.088 0.000 1.442 671 G CA -0.865 44.300 45.100 0.110 0.000 0.792 671 G HN 0.367 nan 8.290 nan 0.000 0.491 672 D N 0.751 121.190 120.400 0.065 0.000 2.362 672 D HA 0.365 5.005 4.640 -0.001 0.000 0.242 672 D C -2.002 174.329 176.300 0.051 0.000 1.132 672 D CA -0.598 53.434 54.000 0.053 0.000 0.907 672 D CB 0.953 41.778 40.800 0.042 0.000 1.195 672 D HN -0.012 nan 8.370 nan 0.000 0.429 673 P HA 0.025 nan 4.420 nan 0.000 0.263 673 P C -0.398 176.933 177.300 0.050 0.000 1.175 673 P CA 0.541 63.673 63.100 0.052 0.000 0.761 673 P CB 0.401 32.134 31.700 0.055 0.000 0.794 674 R N 0.511 121.043 120.500 0.054 0.000 2.690 674 R HA 0.413 4.753 4.340 -0.001 0.000 0.269 674 R C -1.172 175.170 176.300 0.070 0.000 1.037 674 R CA -1.035 55.098 56.100 0.055 0.000 0.877 674 R CB 1.114 31.442 30.300 0.047 0.000 1.255 674 R HN 0.228 nan 8.270 nan 0.000 0.467 675 E N 1.703 121.946 120.200 0.071 0.000 2.392 675 E HA 0.262 4.611 4.350 -0.001 0.000 0.264 675 E C 0.009 176.671 176.600 0.103 0.000 1.024 675 E CA -0.052 56.404 56.400 0.094 0.000 0.903 675 E CB 0.878 30.618 29.700 0.067 0.000 0.963 675 E HN 0.455 nan 8.360 nan 0.000 0.432 676 I N -1.981 118.687 120.570 0.162 0.000 3.074 676 I HA 0.593 4.762 4.170 -0.001 0.000 0.310 676 I C -0.692 175.575 176.117 0.251 0.000 1.153 676 I CA -0.872 60.526 61.300 0.163 0.000 0.993 676 I CB 2.388 40.461 38.000 0.121 0.000 1.237 676 I HN 0.285 nan 8.210 nan 0.000 0.443 677 S N 3.707 119.527 115.700 0.199 0.000 2.536 677 S HA 0.854 5.324 4.470 -0.001 0.000 0.287 677 S C -1.215 173.509 174.600 0.207 0.000 1.101 677 S CA -0.552 57.776 58.200 0.215 0.000 0.950 677 S CB 1.261 64.537 63.200 0.127 0.000 1.056 677 S HN 0.679 nan 8.310 nan 0.000 0.481 678 L N 3.146 124.518 121.223 0.247 0.000 2.393 678 L HA 0.711 5.051 4.340 -0.001 0.000 0.260 678 L C -0.390 176.574 176.870 0.157 0.000 1.002 678 L CA -0.807 54.148 54.840 0.192 0.000 0.818 678 L CB 2.437 44.628 42.059 0.219 0.000 1.369 678 L HN 0.694 nan 8.230 nan 0.000 0.412 679 R N 1.420 121.990 120.500 0.116 0.000 2.522 679 R HA 0.651 4.990 4.340 -0.001 0.000 0.283 679 R C -2.046 174.302 176.300 0.080 0.000 1.074 679 R CA -0.478 55.677 56.100 0.092 0.000 0.925 679 R CB 2.272 32.617 30.300 0.074 0.000 1.205 679 R HN 0.401 nan 8.270 nan 0.000 0.436 680 V N 4.660 124.619 119.914 0.075 0.000 2.435 680 V HA 0.573 4.692 4.120 -0.001 0.000 0.290 680 V C 1.069 177.194 176.094 0.053 0.000 1.030 680 V CA 0.610 62.949 62.300 0.065 0.000 0.881 680 V CB 1.055 32.919 31.823 0.068 0.000 0.983 680 V HN 1.118 nan 8.190 nan 0.000 0.445 681 G N 5.179 114.009 108.800 0.049 0.000 2.596 681 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.295 681 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.295 681 G C 0.437 175.358 174.900 0.035 0.000 1.240 681 G CA 0.521 45.646 45.100 0.041 0.000 0.985 681 G HN 0.688 nan 8.290 nan 0.000 0.555 682 N N 2.422 121.138 118.700 0.028 0.000 2.295 682 N HA 0.279 5.018 4.740 -0.001 0.000 0.221 682 N C 1.063 176.582 175.510 0.015 0.000 1.129 682 N CA 0.956 54.017 53.050 0.020 0.000 0.836 682 N CB 0.366 38.862 38.487 0.014 0.000 1.040 682 N HN 0.825 nan 8.380 nan 0.000 0.494 683 G N 1.343 110.156 108.800 0.022 0.000 2.510 683 G HA2 0.305 4.264 3.960 -0.001 0.000 0.280 683 G HA3 0.305 4.264 3.960 -0.001 0.000 0.280 683 G C -2.439 172.469 174.900 0.014 0.000 1.386 683 G CA -0.773 44.339 45.100 0.019 0.000 1.047 683 G HN -0.006 nan 8.290 nan 0.000 0.527 684 P HA 0.209 nan 4.420 nan 0.000 0.272 684 P C -0.466 176.846 177.300 0.019 0.000 1.230 684 P CA 0.054 63.153 63.100 -0.002 0.000 0.788 684 P CB 0.770 32.466 31.700 -0.007 0.000 0.949 685 T N 2.623 117.181 114.554 0.008 0.000 2.767 685 T HA 0.451 4.801 4.350 -0.001 0.000 0.284 685 T C 0.036 174.761 174.700 0.042 0.000 0.973 685 T CA -0.363 61.767 62.100 0.050 0.000 0.996 685 T CB 0.070 68.978 68.868 0.067 0.000 0.927 685 T HN 0.167 nan 8.240 nan 0.000 0.456 686 L N 2.700 123.956 121.223 0.055 0.000 2.317 686 L HA 0.788 5.127 4.340 -0.001 0.000 0.281 686 L C 0.207 177.005 176.870 -0.120 0.000 1.024 686 L CA -1.134 53.658 54.840 -0.080 0.000 0.810 686 L CB 1.503 43.494 42.059 -0.113 0.000 1.240 686 L HN 0.635 nan 8.230 nan 0.000 0.427 687 A N 3.081 125.743 122.820 -0.265 0.000 2.337 687 A HA 0.867 5.187 4.320 -0.001 0.000 0.329 687 A C -1.234 176.098 177.584 -0.420 0.000 1.146 687 A CA -0.322 51.613 52.037 -0.170 0.000 0.800 687 A CB 0.899 19.865 19.000 -0.057 0.000 1.220 687 A HN 0.509 nan 8.150 nan 0.000 0.472 688 F N 0.804 120.804 119.950 0.082 0.000 2.546 688 F HA 0.530 5.057 4.527 -0.001 0.000 0.320 688 F C 1.087 176.939 175.800 0.087 0.000 1.076 688 F CA -0.267 57.797 58.000 0.107 0.000 0.928 688 F CB 2.256 41.320 39.000 0.107 0.000 1.189 688 F HN 0.689 nan 8.300 nan 0.000 0.465 689 S N 0.112 115.984 115.700 0.287 0.000 2.617 689 S HA 0.095 4.564 4.470 -0.001 0.000 0.259 689 S C 1.064 175.773 174.600 0.182 0.000 1.301 689 S CA -0.042 58.269 58.200 0.185 0.000 0.984 689 S CB 0.744 64.051 63.200 0.179 0.000 0.954 689 S HN 0.861 nan 8.310 nan 0.000 0.572 690 E N -0.182 120.092 120.200 0.123 0.000 2.409 690 E HA -0.197 4.153 4.350 -0.001 0.000 0.198 690 E C 1.290 177.955 176.600 0.108 0.000 1.024 690 E CA 1.012 57.474 56.400 0.103 0.000 0.861 690 E CB -0.379 29.366 29.700 0.074 0.000 0.788 690 E HN 0.763 nan 8.360 nan 0.000 0.521 691 Q N -0.096 119.783 119.800 0.132 0.000 2.280 691 Q HA 0.219 4.558 4.340 -0.001 0.000 0.201 691 Q C 0.740 176.830 176.000 0.150 0.000 0.890 691 Q CA 0.445 56.324 55.803 0.127 0.000 0.947 691 Q CB 1.044 29.860 28.738 0.130 0.000 1.081 691 Q HN 0.481 nan 8.270 nan 0.000 0.502 692 G N 0.399 109.309 108.800 0.183 0.000 2.136 692 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.242 692 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.242 692 G C -0.314 174.799 174.900 0.354 0.000 0.989 692 G CA -0.208 45.001 45.100 0.182 0.000 0.682 692 G HN 0.259 nan 8.290 nan 0.000 0.522 693 L N -0.115 121.364 121.223 0.426 0.000 2.329 693 L HA 0.678 5.018 4.340 -0.001 0.000 0.279 693 L C 0.770 177.951 176.870 0.519 0.000 1.014 693 L CA -1.387 53.747 54.840 0.490 0.000 0.814 693 L CB 1.651 43.897 42.059 0.312 0.000 1.257 693 L HN 0.136 nan 8.230 nan 0.000 0.424 694 L N 3.362 124.876 121.223 0.485 0.000 2.559 694 L HA -0.070 4.269 4.340 -0.001 0.000 0.282 694 L C 1.071 178.026 176.870 0.141 0.000 1.232 694 L CA 0.968 55.844 54.840 0.060 0.000 0.885 694 L CB 0.169 42.296 42.059 0.114 0.000 1.131 694 L HN 0.802 nan 8.230 nan 0.000 0.498 695 K N 1.489 121.870 120.400 -0.031 0.000 2.436 695 K HA 0.319 4.638 4.320 -0.001 0.000 0.198 695 K C -0.042 176.506 176.600 -0.087 0.000 1.174 695 K CA 0.316 56.603 56.287 0.000 0.000 0.951 695 K CB 0.412 32.884 32.500 -0.047 0.000 1.040 695 K HN 0.603 nan 8.250 nan 0.000 0.536 696 S N 0.333 115.956 115.700 -0.130 0.000 2.565 696 S HA 0.585 5.055 4.470 -0.001 0.000 0.269 696 S C -1.137 173.406 174.600 -0.095 0.000 1.153 696 S CA -1.004 57.142 58.200 -0.090 0.000 0.835 696 S CB 1.324 64.514 63.200 -0.015 0.000 1.122 696 S HN 0.178 nan 8.310 nan 0.000 0.462 697 I N 1.489 122.016 120.570 -0.071 0.000 2.466 697 I HA 0.445 4.614 4.170 -0.001 0.000 0.289 697 I C -0.574 175.491 176.117 -0.086 0.000 1.026 697 I CA -0.366 60.890 61.300 -0.073 0.000 1.078 697 I CB 2.127 40.076 38.000 -0.085 0.000 1.249 697 I HN 0.720 nan 8.210 nan 0.000 0.429 698 Q N 6.043 125.771 119.800 -0.120 0.000 2.368 698 Q HA 0.416 4.756 4.340 -0.001 0.000 0.263 698 Q C 0.098 176.010 176.000 -0.147 0.000 1.009 698 Q CA -0.506 55.151 55.803 -0.243 0.000 0.818 698 Q CB 1.675 30.090 28.738 -0.538 0.000 1.239 698 Q HN 0.775 nan 8.270 nan 0.000 0.464 699 L N 1.989 123.140 121.223 -0.121 0.000 2.056 699 L HA -0.033 4.307 4.340 -0.001 0.000 0.207 699 L C 1.227 178.057 176.870 -0.067 0.000 1.078 699 L CA 1.300 56.093 54.840 -0.078 0.000 0.749 699 L CB -0.284 41.735 42.059 -0.067 0.000 0.901 699 L HN 0.666 nan 8.230 nan 0.000 0.433 700 T N -6.458 108.048 114.554 -0.080 0.000 2.864 700 T HA 0.212 4.562 4.350 -0.001 0.000 0.289 700 T C 0.554 175.213 174.700 -0.068 0.000 1.082 700 T CA -0.856 61.209 62.100 -0.058 0.000 1.009 700 T CB 1.753 70.595 68.868 -0.044 0.000 1.234 700 T HN -0.127 nan 8.240 nan 0.000 0.526 701 Q N 0.938 120.714 119.800 -0.040 0.000 2.096 701 Q HA -0.174 4.166 4.340 -0.001 0.000 0.208 701 Q C 1.801 177.780 176.000 -0.035 0.000 0.993 701 Q CA 2.522 58.309 55.803 -0.028 0.000 0.862 701 Q CB -0.422 28.311 28.738 -0.008 0.000 0.915 701 Q HN 0.913 nan 8.270 nan 0.000 0.416 702 D N -0.075 120.304 120.400 -0.035 0.000 2.289 702 D HA -0.053 4.586 4.640 -0.001 0.000 0.207 702 D C 0.834 177.106 176.300 -0.048 0.000 0.966 702 D CA 0.443 54.426 54.000 -0.029 0.000 0.868 702 D CB -0.211 40.576 40.800 -0.020 0.000 0.943 702 D HN 0.077 nan 8.370 nan 0.000 0.514 703 S N 0.606 116.257 115.700 -0.082 0.000 2.614 703 S HA 0.419 4.889 4.470 -0.001 0.000 0.265 703 S C -2.568 171.952 174.600 -0.133 0.000 1.303 703 S CA -1.210 56.934 58.200 -0.093 0.000 1.000 703 S CB 0.816 63.959 63.200 -0.094 0.000 0.935 703 S HN -0.140 nan 8.310 nan 0.000 0.551 704 P HA 0.124 nan 4.420 nan 0.000 0.269 704 P C -0.511 176.701 177.300 -0.146 0.000 1.209 704 P CA -0.023 63.042 63.100 -0.059 0.000 0.776 704 P CB 0.112 31.800 31.700 -0.018 0.000 0.876 705 H N 1.028 120.081 119.070 -0.028 0.000 3.089 705 H HA 0.120 4.675 4.556 -0.001 0.000 0.262 705 H C -0.113 175.180 175.328 -0.058 0.000 1.160 705 H CA -0.204 55.818 56.048 -0.043 0.000 1.482 705 H CB -0.017 29.721 29.762 -0.039 0.000 1.511 705 H HN 0.118 nan 8.280 nan 0.000 0.483 706 V N 7.278 127.182 119.914 -0.016 0.000 2.455 706 V HA 0.074 4.193 4.120 -0.001 0.000 0.273 706 V C -1.870 174.169 176.094 -0.092 0.000 1.045 706 V CA -1.668 60.601 62.300 -0.052 0.000 0.976 706 V CB 0.873 32.654 31.823 -0.070 0.000 0.993 706 V HN 0.568 nan 8.190 nan 0.000 0.475 707 P HA 0.155 nan 4.420 nan 0.000 0.262 707 P C -0.791 176.362 177.300 -0.245 0.000 1.199 707 P CA 0.270 63.222 63.100 -0.247 0.000 0.763 707 P CB 0.454 31.846 31.700 -0.513 0.000 0.790 708 V N 4.193 123.997 119.914 -0.184 0.000 2.559 708 V HA 0.215 4.335 4.120 -0.001 0.000 0.289 708 V C -0.781 175.221 176.094 -0.154 0.000 1.036 708 V CA -0.435 61.744 62.300 -0.201 0.000 0.887 708 V CB 1.227 32.920 31.823 -0.217 0.000 1.022 708 V HN 0.547 nan 8.190 nan 0.000 0.442 709 H N 4.389 123.301 119.070 -0.263 0.000 2.505 709 H HA 0.698 5.253 4.556 -0.001 0.000 0.338 709 H C -1.253 173.945 175.328 -0.216 0.000 1.057 709 H CA -0.942 54.997 56.048 -0.182 0.000 1.202 709 H CB 1.193 30.892 29.762 -0.105 0.000 1.466 709 H HN 0.391 nan 8.280 nan 0.000 0.499 710 F N 3.755 123.419 119.950 -0.477 0.000 2.384 710 F HA 0.377 4.904 4.527 -0.001 0.000 0.338 710 F C 0.421 175.715 175.800 -0.843 0.000 1.103 710 F CA -0.067 57.600 58.000 -0.555 0.000 1.157 710 F CB 0.942 39.728 39.000 -0.357 0.000 1.167 710 F HN 0.448 nan 8.300 nan 0.000 0.529 711 K N 3.066 123.215 120.400 -0.419 0.000 2.498 711 K HA 0.515 4.834 4.320 -0.001 0.000 0.254 711 K C -1.957 174.389 176.600 -0.424 0.000 0.933 711 K CA -0.578 55.509 56.287 -0.334 0.000 0.806 711 K CB 1.347 33.722 32.500 -0.209 0.000 1.301 711 K HN 0.395 nan 8.250 nan 0.000 0.432 712 F N 3.879 123.757 119.950 -0.119 0.000 2.436 712 F HA 0.492 5.018 4.527 -0.001 0.000 0.340 712 F C -0.389 175.371 175.800 -0.068 0.000 1.113 712 F CA -0.590 57.352 58.000 -0.096 0.000 1.022 712 F CB 1.174 40.103 39.000 -0.118 0.000 1.128 712 F HN 0.242 nan 8.300 nan 0.000 0.466 713 L N 2.636 123.904 121.223 0.076 0.000 2.277 713 L HA 0.630 4.970 4.340 -0.001 0.000 0.254 713 L C -1.115 175.748 176.870 -0.013 0.000 1.044 713 L CA -1.029 53.805 54.840 -0.010 0.000 0.842 713 L CB 2.232 44.221 42.059 -0.116 0.000 1.422 713 L HN 0.490 nan 8.230 nan 0.000 0.422 714 K N -0.476 119.878 120.400 -0.077 0.000 2.427 714 K HA 0.663 4.983 4.320 -0.001 0.000 0.252 714 K C -1.775 174.755 176.600 -0.116 0.000 0.931 714 K CA -0.799 55.472 56.287 -0.027 0.000 0.793 714 K CB 1.762 34.279 32.500 0.028 0.000 1.211 714 K HN 0.252 nan 8.250 nan 0.000 0.426 715 Y N 0.534 120.892 120.300 0.097 0.000 2.419 715 Y HA 0.528 5.077 4.550 -0.001 0.000 0.328 715 Y C 0.990 176.945 175.900 0.093 0.000 1.162 715 Y CA 0.079 58.249 58.100 0.117 0.000 1.174 715 Y CB 2.164 40.761 38.460 0.227 0.000 1.228 715 Y HN 0.921 nan 8.280 nan 0.000 0.473 716 G N 0.404 109.352 108.800 0.248 0.000 2.938 716 G HA2 0.628 4.587 3.960 -0.001 0.000 0.258 716 G HA3 0.628 4.587 3.960 -0.001 0.000 0.258 716 G C -1.475 173.499 174.900 0.124 0.000 1.356 716 G CA -0.733 44.454 45.100 0.144 0.000 1.052 716 G HN 0.440 nan 8.290 nan 0.000 0.550 717 V N -0.185 119.768 119.914 0.065 0.000 2.815 717 V HA 0.472 4.592 4.120 -0.001 0.000 0.314 717 V C 0.033 176.117 176.094 -0.017 0.000 1.064 717 V CA -0.869 61.449 62.300 0.029 0.000 0.952 717 V CB 1.920 33.763 31.823 0.033 0.000 1.020 717 V HN 0.678 nan 8.190 nan 0.000 0.439 718 R N 1.265 121.728 120.500 -0.061 0.000 2.543 718 R HA 0.207 4.546 4.340 -0.001 0.000 0.277 718 R C 1.104 177.333 176.300 -0.118 0.000 1.074 718 R CA 0.403 56.423 56.100 -0.134 0.000 1.076 718 R CB 0.600 30.786 30.300 -0.191 0.000 0.993 718 R HN 0.899 nan 8.270 nan 0.000 0.459 719 S N 1.050 116.662 115.700 -0.148 0.000 2.548 719 S HA -0.013 4.456 4.470 -0.001 0.000 0.215 719 S C 0.130 174.740 174.600 0.017 0.000 0.976 719 S CA -0.092 58.084 58.200 -0.040 0.000 0.908 719 S CB -0.302 62.912 63.200 0.024 0.000 0.781 719 S HN 0.824 nan 8.310 nan 0.000 0.519 720 H N -2.529 116.543 119.070 0.003 0.000 2.985 720 H HA 0.773 5.328 4.556 -0.001 0.000 0.360 720 H C 0.518 175.844 175.328 -0.003 0.000 1.221 720 H CA -0.543 55.505 56.048 -0.000 0.000 1.121 720 H CB 0.799 30.560 29.762 -0.001 0.000 1.854 720 H HN 0.369 nan 8.280 nan 0.000 0.551 721 G N 0.505 109.377 108.800 0.120 0.000 2.598 721 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 721 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 721 G C -1.084 173.815 174.900 -0.003 0.000 1.302 721 G CA -0.103 45.028 45.100 0.050 0.000 0.903 721 G HN 0.885 nan 8.290 nan 0.000 0.575 722 D N 1.106 121.495 120.400 -0.018 0.000 2.350 722 D HA 0.550 5.190 4.640 -0.001 0.000 0.249 722 D C 0.890 177.169 176.300 -0.036 0.000 1.119 722 D CA 0.092 54.077 54.000 -0.025 0.000 0.886 722 D CB 0.854 41.637 40.800 -0.028 0.000 1.195 722 D HN 0.373 nan 8.370 nan 0.000 0.437 723 R N 0.620 121.104 120.500 -0.026 0.000 2.428 723 R HA 0.342 4.681 4.340 -0.001 0.000 0.294 723 R C 0.004 176.297 176.300 -0.011 0.000 1.000 723 R CA -0.611 55.479 56.100 -0.017 0.000 0.960 723 R CB 0.777 31.075 30.300 -0.003 0.000 1.076 723 R HN 0.208 nan 8.270 nan 0.000 0.475 724 S N 0.351 116.055 115.700 0.007 0.000 2.563 724 S HA 0.485 4.954 4.470 -0.001 0.000 0.284 724 S C 0.525 175.145 174.600 0.034 0.000 1.331 724 S CA 0.477 58.699 58.200 0.036 0.000 1.047 724 S CB 0.768 64.022 63.200 0.090 0.000 0.859 724 S HN 0.729 nan 8.310 nan 0.000 0.514 725 G N -0.080 108.742 108.800 0.036 0.000 2.815 725 G HA2 0.588 4.547 3.960 -0.001 0.000 0.305 725 G HA3 0.588 4.547 3.960 -0.001 0.000 0.305 725 G C 0.554 175.477 174.900 0.038 0.000 1.277 725 G CA -0.116 45.011 45.100 0.045 0.000 0.795 725 G HN 0.708 nan 8.290 nan 0.000 0.528 726 A N -1.236 121.596 122.820 0.021 0.000 1.978 726 A HA 0.053 4.372 4.320 -0.001 0.000 0.220 726 A C 1.938 179.432 177.584 -0.151 0.000 1.170 726 A CA 2.099 54.089 52.037 -0.079 0.000 0.636 726 A CB -0.657 18.239 19.000 -0.173 0.000 0.810 726 A HN 0.596 nan 8.150 nan 0.000 0.448 727 Y N -0.792 119.443 120.300 -0.109 0.000 2.266 727 Y HA 0.332 4.881 4.550 -0.001 0.000 0.294 727 Y C 0.943 176.732 175.900 -0.186 0.000 1.127 727 Y CA 0.122 58.080 58.100 -0.237 0.000 1.140 727 Y CB -0.201 37.767 38.460 -0.821 0.000 1.071 727 Y HN 0.032 nan 8.280 nan 0.000 0.525 728 L N 0.354 121.539 121.223 -0.062 0.000 2.325 728 L HA 0.224 4.564 4.340 -0.001 0.000 0.279 728 L C -1.132 175.791 176.870 0.088 0.000 1.054 728 L CA -0.622 54.183 54.840 -0.058 0.000 0.804 728 L CB 1.032 43.004 42.059 -0.145 0.000 1.200 728 L HN 0.018 nan 8.230 nan 0.000 0.436 729 F N 4.598 124.493 119.950 -0.092 0.000 2.375 729 F HA 0.488 5.015 4.527 -0.001 0.000 0.361 729 F C -0.776 174.944 175.800 -0.134 0.000 1.117 729 F CA -1.193 56.712 58.000 -0.157 0.000 1.037 729 F CB 0.669 39.509 39.000 -0.266 0.000 1.192 729 F HN 0.199 nan 8.300 nan 0.000 0.452 730 L N 9.078 130.200 121.223 -0.168 0.000 2.529 730 L HA 0.332 4.672 4.340 -0.001 0.000 0.246 730 L C -2.357 174.337 176.870 -0.293 0.000 1.394 730 L CA -1.724 52.961 54.840 -0.259 0.000 0.906 730 L CB 1.078 43.074 42.059 -0.104 0.000 1.170 730 L HN 0.384 nan 8.230 nan 0.000 0.501 731 P HA 0.047 nan 4.420 nan 0.000 0.272 731 P C -0.503 176.716 177.300 -0.135 0.000 1.223 731 P CA -0.303 62.621 63.100 -0.294 0.000 0.784 731 P CB 0.550 31.962 31.700 -0.481 0.000 0.923 732 N N 0.875 119.563 118.700 -0.020 0.000 3.250 732 N HA 0.284 5.024 4.740 -0.001 0.000 0.307 732 N C 0.688 176.206 175.510 0.013 0.000 1.355 732 N CA -0.171 52.863 53.050 -0.026 0.000 1.192 732 N CB -0.848 37.627 38.487 -0.019 0.000 1.478 732 N HN 0.745 nan 8.380 nan 0.000 0.543 733 G N 0.755 109.560 108.800 0.009 0.000 2.655 733 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.680 733 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.680 733 G C -3.027 171.950 174.900 0.128 0.000 1.302 733 G CA -1.093 44.029 45.100 0.038 0.000 0.872 733 G HN 0.378 nan 8.290 nan 0.000 0.540 734 P HA 0.454 nan 4.420 nan 0.000 0.269 734 P C 0.495 177.762 177.300 -0.055 0.000 1.217 734 P CA 0.676 63.842 63.100 0.109 0.000 0.783 734 P CB 0.392 32.120 31.700 0.047 0.000 0.898 735 A N 2.046 124.655 122.820 -0.353 0.000 2.386 735 A HA 0.409 4.729 4.320 -0.001 0.000 0.248 735 A C 0.188 177.621 177.584 -0.252 0.000 1.082 735 A CA 0.248 51.911 52.037 -0.624 0.000 0.789 735 A CB -0.179 18.170 19.000 -1.085 0.000 1.025 735 A HN 0.473 nan 8.150 nan 0.000 0.490 736 S N 2.066 117.658 115.700 -0.180 0.000 2.501 736 S HA 0.602 5.071 4.470 -0.001 0.000 0.301 736 S C -2.697 171.867 174.600 -0.061 0.000 1.096 736 S CA -0.994 57.157 58.200 -0.081 0.000 1.063 736 S CB 1.363 64.537 63.200 -0.043 0.000 1.042 736 S HN 0.568 nan 8.310 nan 0.000 0.494 737 P HA 0.123 nan 4.420 nan 0.000 0.268 737 P C -0.784 176.526 177.300 0.017 0.000 1.205 737 P CA -0.371 62.730 63.100 0.001 0.000 0.771 737 P CB 0.315 32.027 31.700 0.020 0.000 0.858 738 V N 3.581 123.519 119.914 0.039 0.000 2.572 738 V HA -0.019 4.100 4.120 -0.001 0.000 0.291 738 V C 0.911 177.027 176.094 0.036 0.000 1.039 738 V CA 0.242 62.565 62.300 0.038 0.000 1.055 738 V CB -0.284 31.569 31.823 0.050 0.000 0.969 738 V HN 0.520 nan 8.190 nan 0.000 0.482 739 E N 4.438 124.654 120.200 0.027 0.000 2.217 739 E HA 0.161 4.510 4.350 -0.001 0.000 0.279 739 E C 0.463 177.079 176.600 0.028 0.000 1.068 739 E CA -0.179 56.239 56.400 0.029 0.000 0.882 739 E CB 0.827 30.543 29.700 0.026 0.000 1.039 739 E HN 0.559 nan 8.360 nan 0.000 0.418 740 L N 2.727 123.972 121.223 0.036 0.000 2.416 740 L HA 0.133 4.473 4.340 -0.001 0.000 0.216 740 L C 1.379 178.271 176.870 0.038 0.000 1.098 740 L CA 0.413 55.273 54.840 0.033 0.000 0.840 740 L CB -0.608 41.479 42.059 0.047 0.000 0.981 740 L HN 0.866 nan 8.230 nan 0.000 0.462 741 G N 0.751 109.576 108.800 0.040 0.000 2.547 741 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.271 741 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.271 741 G C 0.049 174.977 174.900 0.048 0.000 1.209 741 G CA 0.189 45.315 45.100 0.043 0.000 0.959 741 G HN 0.343 nan 8.290 nan 0.000 0.563 742 Q N 1.689 121.519 119.800 0.050 0.000 2.644 742 Q HA 0.461 4.800 4.340 -0.001 0.000 0.245 742 Q C -2.108 173.932 176.000 0.066 0.000 1.064 742 Q CA -1.586 54.249 55.803 0.055 0.000 0.860 742 Q CB 1.111 29.877 28.738 0.047 0.000 1.145 742 Q HN 0.616 nan 8.270 nan 0.000 0.515 743 P HA 0.049 nan 4.420 nan 0.000 0.274 743 P C -0.484 176.882 177.300 0.110 0.000 1.237 743 P CA -0.286 62.865 63.100 0.085 0.000 0.793 743 P CB 1.114 32.848 31.700 0.057 0.000 0.977 744 V N 2.175 122.189 119.914 0.168 0.000 2.508 744 V HA 0.113 4.233 4.120 -0.001 0.000 0.281 744 V C 0.536 176.778 176.094 0.247 0.000 1.041 744 V CA -0.187 62.234 62.300 0.202 0.000 1.016 744 V CB 1.134 33.114 31.823 0.263 0.000 0.984 744 V HN 0.258 nan 8.190 nan 0.000 0.478 745 V N 6.412 126.417 119.914 0.151 0.000 2.448 745 V HA 0.467 4.587 4.120 -0.001 0.000 0.295 745 V C -0.411 175.701 176.094 0.030 0.000 1.025 745 V CA -0.626 61.739 62.300 0.109 0.000 0.859 745 V CB 1.679 33.528 31.823 0.043 0.000 0.988 745 V HN 0.679 nan 8.190 nan 0.000 0.431 746 L N 6.760 127.996 121.223 0.023 0.000 2.305 746 L HA 0.723 5.063 4.340 -0.001 0.000 0.284 746 L C -0.620 176.138 176.870 -0.186 0.000 1.013 746 L CA 0.031 54.762 54.840 -0.182 0.000 0.819 746 L CB 1.697 43.552 42.059 -0.341 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.127 123.923 119.914 -0.197 0.000 2.384 747 V HA 0.547 4.667 4.120 -0.001 0.000 0.287 747 V C 0.071 176.099 176.094 -0.110 0.000 1.020 747 V CA -0.388 61.819 62.300 -0.155 0.000 0.850 747 V CB 1.519 33.269 31.823 -0.122 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.339 119.857 114.554 -0.059 0.000 2.779 748 T HA 0.442 4.792 4.350 -0.001 0.000 0.280 748 T C -0.399 174.333 174.700 0.053 0.000 0.987 748 T CA -0.571 61.550 62.100 0.035 0.000 0.966 748 T CB 1.163 70.091 68.868 0.100 0.000 0.933 748 T HN 0.672 nan 8.240 nan 0.000 0.442 749 K N 2.408 122.856 120.400 0.080 0.000 2.450 749 K HA 0.682 5.002 4.320 -0.001 0.000 0.257 749 K C -0.362 176.300 176.600 0.103 0.000 0.953 749 K CA -0.574 55.761 56.287 0.079 0.000 0.844 749 K CB 0.966 33.505 32.500 0.066 0.000 1.103 749 K HN 0.788 nan 8.250 nan 0.000 0.429 750 G N 2.181 111.039 108.800 0.096 0.000 2.733 750 G HA2 0.175 4.135 3.960 -0.001 0.000 0.288 750 G HA3 0.175 4.135 3.960 -0.001 0.000 0.288 750 G C -0.274 174.672 174.900 0.078 0.000 1.373 750 G CA -0.624 44.534 45.100 0.096 0.000 0.895 750 G HN 0.640 nan 8.290 nan 0.000 0.479 751 K N -0.556 119.885 120.400 0.069 0.000 2.103 751 K HA 0.142 4.462 4.320 -0.001 0.000 0.204 751 K C 1.761 178.397 176.600 0.061 0.000 1.052 751 K CA 0.950 57.273 56.287 0.061 0.000 0.945 751 K CB -0.150 32.382 32.500 0.053 0.000 0.722 751 K HN 0.417 nan 8.250 nan 0.000 0.443 752 L N -0.607 120.654 121.223 0.063 0.000 2.357 752 L HA 0.198 4.538 4.340 -0.001 0.000 0.211 752 L C 0.547 177.453 176.870 0.060 0.000 1.075 752 L CA 0.171 55.048 54.840 0.062 0.000 0.830 752 L CB 0.357 42.455 42.059 0.066 0.000 0.996 752 L HN 0.166 nan 8.230 nan 0.000 0.467 753 E N -0.335 119.906 120.200 0.068 0.000 2.311 753 E HA 0.386 4.736 4.350 -0.001 0.000 0.281 753 E C -1.460 175.187 176.600 0.078 0.000 0.905 753 E CA -0.194 56.247 56.400 0.069 0.000 0.778 753 E CB 2.107 31.847 29.700 0.067 0.000 1.240 753 E HN -0.118 nan 8.360 nan 0.000 0.410 754 S N 1.247 116.991 115.700 0.074 0.000 2.634 754 S HA 0.803 5.273 4.470 -0.001 0.000 0.296 754 S C -1.226 173.404 174.600 0.050 0.000 1.104 754 S CA -0.666 57.574 58.200 0.067 0.000 0.920 754 S CB 1.797 65.039 63.200 0.070 0.000 1.111 754 S HN 0.616 nan 8.310 nan 0.000 0.493 755 S N -0.145 115.562 115.700 0.011 0.000 2.567 755 S HA 0.717 5.186 4.470 -0.001 0.000 0.270 755 S C -1.883 172.631 174.600 -0.144 0.000 1.152 755 S CA -0.699 57.479 58.200 -0.036 0.000 0.835 755 S CB 0.990 64.189 63.200 -0.001 0.000 1.115 755 S HN 0.471 nan 8.310 nan 0.000 0.459 756 V N 2.072 121.836 119.914 -0.250 0.000 2.483 756 V HA 0.729 4.849 4.120 -0.001 0.000 0.297 756 V C -0.483 175.475 176.094 -0.225 0.000 1.027 756 V CA -0.424 61.657 62.300 -0.366 0.000 0.855 756 V CB 1.580 32.871 31.823 -0.887 0.000 0.995 756 V HN 0.970 nan 8.190 nan 0.000 0.424 757 S N 3.296 118.922 115.700 -0.123 0.000 2.500 757 S HA 0.776 5.245 4.470 -0.001 0.000 0.301 757 S C -0.797 173.747 174.600 -0.093 0.000 1.092 757 S CA -0.617 57.522 58.200 -0.102 0.000 1.030 757 S CB 2.127 65.369 63.200 0.069 0.000 1.031 757 S HN 0.640 nan 8.310 nan 0.000 0.483 758 V N 2.179 121.927 119.914 -0.276 0.000 2.760 758 V HA 0.808 4.928 4.120 -0.001 0.000 0.309 758 V C -0.001 175.763 176.094 -0.551 0.000 1.077 758 V CA -0.438 61.715 62.300 -0.245 0.000 0.910 758 V CB 1.781 33.582 31.823 -0.037 0.000 1.008 758 V HN 0.993 nan 8.190 nan 0.000 0.424 759 G N 7.073 115.576 108.800 -0.494 0.000 2.546 759 G HA2 0.527 4.487 3.960 -0.001 0.000 0.320 759 G HA3 0.527 4.487 3.960 -0.001 0.000 0.320 759 G C -0.544 174.260 174.900 -0.159 0.000 0.984 759 G CA -0.331 44.526 45.100 -0.405 0.000 1.183 759 G HN 0.693 nan 8.290 nan 0.000 0.443 760 L N 2.726 123.809 121.223 -0.233 0.000 2.387 760 L HA 0.400 4.739 4.340 -0.001 0.000 0.266 760 L C -2.034 174.740 176.870 -0.160 0.000 1.059 760 L CA -2.357 52.372 54.840 -0.186 0.000 0.801 760 L CB 1.851 43.724 42.059 -0.310 0.000 1.223 760 L HN 0.204 nan 8.230 nan 0.000 0.456 761 P HA 0.071 nan 4.420 nan 0.000 0.266 761 P C 0.070 177.284 177.300 -0.143 0.000 1.215 761 P CA 0.468 63.514 63.100 -0.089 0.000 0.763 761 P CB 0.935 32.605 31.700 -0.050 0.000 0.806 762 S N -0.079 115.539 115.700 -0.136 0.000 2.691 762 S HA -0.111 4.359 4.470 -0.001 0.000 0.262 762 S C 0.198 174.687 174.600 -0.184 0.000 1.284 762 S CA 1.249 59.367 58.200 -0.136 0.000 1.372 762 S CB -1.413 61.729 63.200 -0.096 0.000 1.693 762 S HN 0.394 nan 8.310 nan 0.000 0.647 763 V N 1.464 121.213 119.914 -0.275 0.000 2.655 763 V HA 0.442 4.561 4.120 -0.001 0.000 0.301 763 V C -0.250 175.616 176.094 -0.381 0.000 1.082 763 V CA -0.798 61.289 62.300 -0.353 0.000 0.899 763 V CB 2.085 33.520 31.823 -0.647 0.000 1.014 763 V HN 0.116 nan 8.190 nan 0.000 0.429 764 V N 4.096 123.796 119.914 -0.358 0.000 2.368 764 V HA 0.323 4.443 4.120 -0.001 0.000 0.266 764 V C -0.149 175.733 176.094 -0.354 0.000 1.045 764 V CA -0.320 61.669 62.300 -0.517 0.000 0.899 764 V CB 0.709 32.111 31.823 -0.702 0.000 1.006 764 V HN 0.932 nan 8.190 nan 0.000 0.470 765 H N 4.435 123.248 119.070 -0.429 0.000 2.476 765 H HA 0.587 5.143 4.556 -0.001 0.000 0.328 765 H C -0.425 174.785 175.328 -0.197 0.000 1.073 765 H CA -0.218 55.680 56.048 -0.250 0.000 1.229 765 H CB 1.217 30.867 29.762 -0.186 0.000 1.432 765 H HN 0.693 nan 8.280 nan 0.000 0.477 766 Q N 4.021 123.493 119.800 -0.546 0.000 2.323 766 Q HA 0.381 4.721 4.340 -0.001 0.000 0.271 766 Q C -1.322 174.460 176.000 -0.364 0.000 1.048 766 Q CA -0.908 54.674 55.803 -0.367 0.000 0.792 766 Q CB 1.634 30.264 28.738 -0.179 0.000 1.280 766 Q HN 0.743 nan 8.270 nan 0.000 0.441 767 T N 4.926 119.356 114.554 -0.207 0.000 2.772 767 T HA 0.528 4.877 4.350 -0.001 0.000 0.288 767 T C -0.376 174.347 174.700 0.038 0.000 0.994 767 T CA -0.306 61.790 62.100 -0.006 0.000 0.951 767 T CB 0.280 69.308 68.868 0.268 0.000 0.933 767 T HN 0.457 nan 8.240 nan 0.000 0.447 768 I N 3.725 124.332 120.570 0.061 0.000 2.404 768 I HA 0.484 4.654 4.170 -0.001 0.000 0.293 768 I C -0.265 175.905 176.117 0.089 0.000 0.992 768 I CA -0.745 60.592 61.300 0.062 0.000 1.149 768 I CB 1.735 39.760 38.000 0.043 0.000 1.315 768 I HN 0.391 nan 8.210 nan 0.000 0.446 769 M N 5.926 125.580 119.600 0.090 0.000 2.243 769 M HA 0.478 4.957 4.480 -0.001 0.000 0.324 769 M C 0.243 176.585 176.300 0.070 0.000 1.031 769 M CA -0.247 55.108 55.300 0.093 0.000 0.949 769 M CB 2.009 34.680 32.600 0.117 0.000 1.615 769 M HN 0.458 nan 8.290 nan 0.000 0.430 770 R N 1.295 121.830 120.500 0.059 0.000 2.572 770 R HA 0.365 4.704 4.340 -0.001 0.000 0.370 770 R C 0.758 177.085 176.300 0.045 0.000 1.005 770 R CA 0.227 56.355 56.100 0.048 0.000 1.146 770 R CB 1.088 31.409 30.300 0.034 0.000 1.390 770 R HN 1.132 nan 8.270 nan 0.000 0.553 771 G N -0.236 108.593 108.800 0.048 0.000 2.211 771 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.201 771 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.201 771 G C 0.268 175.188 174.900 0.033 0.000 0.997 771 G CA -0.386 44.739 45.100 0.041 0.000 0.652 771 G HN 0.525 nan 8.290 nan 0.000 0.500 772 G N -0.149 108.671 108.800 0.033 0.000 3.252 772 G HA2 0.800 4.759 3.960 -0.001 0.000 0.181 772 G HA3 0.800 4.759 3.960 -0.001 0.000 0.181 772 G C 0.436 175.354 174.900 0.030 0.000 1.187 772 G CA 0.406 45.520 45.100 0.025 0.000 0.886 772 G HN 1.538 nan 8.290 nan 0.000 0.615 773 A N 1.479 124.314 122.820 0.025 0.000 2.546 773 A HA 0.504 4.823 4.320 -0.001 0.000 0.243 773 A C -1.685 175.934 177.584 0.058 0.000 1.063 773 A CA -0.419 51.639 52.037 0.034 0.000 0.757 773 A CB -0.483 18.534 19.000 0.028 0.000 0.991 773 A HN 0.398 nan 8.150 nan 0.000 0.503 774 P HA 0.110 nan 4.420 nan 0.000 0.272 774 P C -0.417 176.951 177.300 0.113 0.000 1.230 774 P CA -0.174 62.990 63.100 0.106 0.000 0.788 774 P CB 0.644 32.432 31.700 0.146 0.000 0.949 775 E N 1.266 121.528 120.200 0.103 0.000 2.191 775 E HA 0.378 4.727 4.350 -0.001 0.000 0.278 775 E C -0.808 175.861 176.600 0.115 0.000 0.972 775 E CA -0.715 55.749 56.400 0.107 0.000 0.804 775 E CB 0.579 30.319 29.700 0.066 0.000 1.110 775 E HN 0.208 nan 8.360 nan 0.000 0.394 776 I N 4.097 124.767 120.570 0.167 0.000 2.404 776 I HA 0.407 4.576 4.170 -0.001 0.000 0.293 776 I C -0.031 176.197 176.117 0.184 0.000 0.992 776 I CA -0.611 60.761 61.300 0.119 0.000 1.149 776 I CB 1.308 39.382 38.000 0.122 0.000 1.315 776 I HN 0.564 nan 8.210 nan 0.000 0.446 777 R N 4.637 125.170 120.500 0.056 0.000 2.561 777 R HA 0.504 4.843 4.340 -0.001 0.000 0.297 777 R C -0.960 175.380 176.300 0.067 0.000 0.969 777 R CA -0.865 55.290 56.100 0.091 0.000 0.879 777 R CB 2.074 32.385 30.300 0.019 0.000 1.178 777 R HN 0.456 nan 8.270 nan 0.000 0.445 778 N N 2.619 121.427 118.700 0.179 0.000 2.407 778 N HA 0.196 4.936 4.740 -0.001 0.000 0.277 778 N C -1.256 174.267 175.510 0.021 0.000 0.995 778 N CA -0.701 52.430 53.050 0.134 0.000 0.903 778 N CB 1.897 40.571 38.487 0.312 0.000 1.218 778 N HN 0.329 nan 8.380 nan 0.000 0.487 779 L N 3.684 124.860 121.223 -0.079 0.000 2.282 779 L HA 0.382 4.721 4.340 -0.001 0.000 0.287 779 L C -1.033 175.766 176.870 -0.119 0.000 1.075 779 L CA -0.456 54.318 54.840 -0.110 0.000 0.839 779 L CB 0.435 42.416 42.059 -0.130 0.000 1.219 779 L HN 0.206 nan 8.230 nan 0.000 0.434 780 V N 4.586 124.435 119.914 -0.109 0.000 2.370 780 V HA 0.401 4.521 4.120 -0.001 0.000 0.279 780 V C -0.504 175.550 176.094 -0.066 0.000 1.029 780 V CA -0.467 61.786 62.300 -0.079 0.000 0.870 780 V CB 1.339 33.147 31.823 -0.025 0.000 0.984 780 V HN 0.706 nan 8.190 nan 0.000 0.451 781 D N 3.953 124.312 120.400 -0.067 0.000 2.346 781 D HA 0.258 4.898 4.640 -0.001 0.000 0.255 781 D C 0.505 176.776 176.300 -0.049 0.000 1.276 781 D CA -0.405 53.563 54.000 -0.053 0.000 0.941 781 D CB 1.271 42.032 40.800 -0.065 0.000 1.199 781 D HN 0.452 nan 8.370 nan 0.000 0.537 782 I N 2.296 122.854 120.570 -0.019 0.000 3.083 782 I HA 0.056 4.226 4.170 -0.001 0.000 0.273 782 I C 1.395 177.500 176.117 -0.019 0.000 1.297 782 I CA 1.147 62.442 61.300 -0.008 0.000 1.452 782 I CB -0.258 37.758 38.000 0.027 0.000 1.078 782 I HN 0.630 nan 8.210 nan 0.000 0.484 783 G N 0.848 109.630 108.800 -0.029 0.000 2.611 783 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.301 783 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.301 783 G C 0.577 175.466 174.900 -0.019 0.000 1.233 783 G CA 0.488 45.565 45.100 -0.039 0.000 0.993 783 G HN 0.674 nan 8.290 nan 0.000 0.553 784 S N -0.091 115.596 115.700 -0.022 0.000 2.574 784 S HA 0.542 5.011 4.470 -0.001 0.000 0.242 784 S C 0.772 175.374 174.600 0.002 0.000 0.982 784 S CA 0.091 58.287 58.200 -0.006 0.000 0.977 784 S CB 0.039 63.235 63.200 -0.006 0.000 0.814 784 S HN 0.701 nan 8.310 nan 0.000 0.464 785 L N 2.924 124.148 121.223 0.002 0.000 2.505 785 L HA 0.293 4.633 4.340 -0.001 0.000 0.279 785 L C -0.220 176.665 176.870 0.025 0.000 1.211 785 L CA -0.334 54.514 54.840 0.012 0.000 1.059 785 L CB -0.585 41.481 42.059 0.011 0.000 1.340 785 L HN 0.131 nan 8.230 nan 0.000 0.447 786 D N 2.789 123.204 120.400 0.025 0.000 2.382 786 D HA 0.012 4.652 4.640 -0.001 0.000 0.240 786 D C 0.677 177.000 176.300 0.039 0.000 1.146 786 D CA 0.257 54.276 54.000 0.031 0.000 0.897 786 D CB 0.384 41.200 40.800 0.027 0.000 1.197 786 D HN 0.325 nan 8.370 nan 0.000 0.432 787 N N 0.484 119.211 118.700 0.046 0.000 2.725 787 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 787 N C -0.953 174.599 175.510 0.070 0.000 1.031 787 N CA 0.851 53.934 53.050 0.055 0.000 0.720 787 N CB -1.198 37.316 38.487 0.045 0.000 0.930 787 N HN 0.274 nan 8.380 nan 0.000 0.543 788 T N 0.447 115.047 114.554 0.076 0.000 2.886 788 T HA 0.409 4.759 4.350 -0.001 0.000 0.292 788 T C -0.276 174.489 174.700 0.108 0.000 1.012 788 T CA -0.714 61.443 62.100 0.093 0.000 0.982 788 T CB 2.279 71.188 68.868 0.068 0.000 1.018 788 T HN 0.026 nan 8.240 nan 0.000 0.451 789 E N 2.401 122.694 120.200 0.156 0.000 2.199 789 E HA 0.415 4.764 4.350 -0.001 0.000 0.265 789 E C -0.704 176.010 176.600 0.190 0.000 0.882 789 E CA -0.912 55.576 56.400 0.147 0.000 0.759 789 E CB 1.831 31.588 29.700 0.096 0.000 1.148 789 E HN 0.318 nan 8.360 nan 0.000 0.412 790 I N 3.063 123.729 120.570 0.160 0.000 2.315 790 I HA 0.221 4.390 4.170 -0.001 0.000 0.291 790 I C 0.050 176.299 176.117 0.220 0.000 1.006 790 I CA -0.580 60.827 61.300 0.178 0.000 1.265 790 I CB 1.180 39.274 38.000 0.156 0.000 1.387 790 I HN 0.292 nan 8.210 nan 0.000 0.475 791 V N 8.365 128.409 119.914 0.216 0.000 2.581 791 V HA 0.505 4.624 4.120 -0.001 0.000 0.303 791 V C -0.265 175.866 176.094 0.062 0.000 1.041 791 V CA -0.795 61.620 62.300 0.192 0.000 0.907 791 V CB 2.180 34.171 31.823 0.280 0.000 0.994 791 V HN 0.772 nan 8.190 nan 0.000 0.442 792 M N 7.413 126.980 119.600 -0.056 0.000 2.088 792 M HA 0.555 5.034 4.480 -0.001 0.000 0.346 792 M C -0.522 175.636 176.300 -0.237 0.000 1.111 792 M CA -0.411 54.639 55.300 -0.418 0.000 1.017 792 M CB 0.544 32.853 32.600 -0.484 0.000 1.568 792 M HN 0.743 nan 8.290 nan 0.000 0.445 793 R N 4.621 124.965 120.500 -0.259 0.000 2.589 793 R HA 0.682 5.021 4.340 -0.001 0.000 0.293 793 R C -1.867 174.331 176.300 -0.169 0.000 0.963 793 R CA -0.618 55.392 56.100 -0.151 0.000 0.905 793 R CB 1.418 31.649 30.300 -0.114 0.000 1.144 793 R HN 0.813 nan 8.270 nan 0.000 0.459 794 L N 3.390 124.497 121.223 -0.193 0.000 2.296 794 L HA 0.395 4.735 4.340 -0.001 0.000 0.286 794 L C -0.470 176.287 176.870 -0.188 0.000 1.023 794 L CA -0.367 54.286 54.840 -0.311 0.000 0.812 794 L CB 1.865 43.692 42.059 -0.387 0.000 1.223 794 L HN 0.605 nan 8.230 nan 0.000 0.421 795 E N 2.223 122.329 120.200 -0.158 0.000 2.133 795 E HA 0.470 4.819 4.350 -0.001 0.000 0.274 795 E C -0.509 176.040 176.600 -0.086 0.000 0.930 795 E CA -0.432 55.932 56.400 -0.060 0.000 0.770 795 E CB 1.950 31.665 29.700 0.025 0.000 1.104 795 E HN 0.611 nan 8.360 nan 0.000 0.403 796 T N -0.989 113.532 114.554 -0.054 0.000 2.831 796 T HA 0.332 4.682 4.350 -0.001 0.000 0.287 796 T C 0.144 174.890 174.700 0.076 0.000 1.070 796 T CA -0.708 61.332 62.100 -0.101 0.000 1.010 796 T CB 1.041 69.858 68.868 -0.086 0.000 1.264 796 T HN 0.587 nan 8.240 nan 0.000 0.532 797 H N -0.648 118.410 119.070 -0.019 0.000 2.542 797 H HA 0.416 4.972 4.556 -0.001 0.000 0.283 797 H C 0.155 175.481 175.328 -0.003 0.000 1.059 797 H CA -0.630 55.412 56.048 -0.010 0.000 1.162 797 H CB 0.086 29.842 29.762 -0.009 0.000 1.539 797 H HN 0.327 nan 8.280 nan 0.000 0.543 798 I N 1.973 122.599 120.570 0.092 0.000 2.752 798 I HA -0.139 4.031 4.170 -0.001 0.000 0.289 798 I C 0.570 176.727 176.117 0.068 0.000 1.197 798 I CA 0.359 61.697 61.300 0.064 0.000 1.432 798 I CB 0.410 38.438 38.000 0.047 0.000 1.359 798 I HN 0.206 nan 8.210 nan 0.000 0.571 799 D N 4.825 125.261 120.400 0.060 0.000 2.619 799 D HA 0.046 4.686 4.640 -0.001 0.000 0.224 799 D C 1.140 177.478 176.300 0.063 0.000 1.133 799 D CA -0.065 53.967 54.000 0.053 0.000 1.017 799 D CB 0.376 41.201 40.800 0.041 0.000 1.077 799 D HN 0.551 nan 8.370 nan 0.000 0.503 800 S N 0.473 116.217 115.700 0.072 0.000 2.501 800 S HA 0.277 4.746 4.470 -0.001 0.000 0.220 800 S C 1.579 176.229 174.600 0.083 0.000 0.997 800 S CA 0.270 58.527 58.200 0.095 0.000 0.919 800 S CB -0.060 63.208 63.200 0.113 0.000 0.778 800 S HN 0.538 nan 8.310 nan 0.000 0.523 801 G N 3.252 112.091 108.800 0.064 0.000 2.565 801 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.295 801 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.295 801 G C 0.158 175.098 174.900 0.067 0.000 1.165 801 G CA 0.578 45.712 45.100 0.056 0.000 0.977 801 G HN 0.741 nan 8.290 nan 0.000 0.546 802 D N 0.247 120.691 120.400 0.072 0.000 2.402 802 D HA 0.325 4.965 4.640 -0.001 0.000 0.216 802 D C 0.778 177.158 176.300 0.132 0.000 1.128 802 D CA -0.181 53.879 54.000 0.100 0.000 0.833 802 D CB 0.241 41.086 40.800 0.074 0.000 0.971 802 D HN 0.471 nan 8.370 nan 0.000 0.503 803 I N 1.500 122.132 120.570 0.102 0.000 2.392 803 I HA 0.479 4.649 4.170 -0.001 0.000 0.295 803 I C -0.247 175.947 176.117 0.129 0.000 0.985 803 I CA -0.954 60.353 61.300 0.011 0.000 1.221 803 I CB 0.637 38.611 38.000 -0.042 0.000 1.366 803 I HN -0.042 nan 8.210 nan 0.000 0.467 804 F N 4.560 124.326 119.950 -0.306 0.000 2.711 804 F HA 0.687 5.213 4.527 -0.001 0.000 0.313 804 F C -2.070 173.373 175.800 -0.595 0.000 1.141 804 F CA -1.436 56.400 58.000 -0.272 0.000 0.941 804 F CB 1.208 40.126 39.000 -0.136 0.000 1.349 804 F HN 0.190 nan 8.300 nan 0.000 0.464 805 Y N 0.018 120.085 120.300 -0.389 0.000 2.442 805 Y HA 0.681 5.231 4.550 -0.001 0.000 0.344 805 Y C -0.000 175.728 175.900 -0.285 0.000 0.976 805 Y CA -0.663 57.081 58.100 -0.595 0.000 1.040 805 Y CB 2.479 40.173 38.460 -1.275 0.000 1.228 805 Y HN 0.904 nan 8.280 nan 0.000 0.451 806 T N -1.397 113.086 114.554 -0.120 0.000 2.896 806 T HA 0.481 4.830 4.350 -0.001 0.000 0.297 806 T C -1.088 173.437 174.700 -0.291 0.000 1.108 806 T CA -1.079 60.972 62.100 -0.081 0.000 1.004 806 T CB 2.013 70.806 68.868 -0.125 0.000 1.159 806 T HN 0.578 nan 8.240 nan 0.000 0.499 807 D N 1.117 121.190 120.400 -0.543 0.000 2.340 807 D HA 0.372 5.011 4.640 -0.001 0.000 0.251 807 D C -0.583 175.446 176.300 -0.450 0.000 1.080 807 D CA -0.795 52.681 54.000 -0.872 0.000 0.971 807 D CB 1.217 41.244 40.800 -1.287 0.000 1.137 807 D HN 0.556 nan 8.370 nan 0.000 0.475 808 L N 0.863 121.863 121.223 -0.371 0.000 2.316 808 L HA 0.218 4.558 4.340 -0.001 0.000 0.280 808 L C -0.094 176.653 176.870 -0.205 0.000 1.006 808 L CA -0.811 53.903 54.840 -0.210 0.000 0.836 808 L CB 0.497 42.498 42.059 -0.098 0.000 1.221 808 L HN 0.439 nan 8.230 nan 0.000 0.418 809 N N 2.208 120.796 118.700 -0.188 0.000 2.708 809 N HA -0.238 4.502 4.740 -0.001 0.000 0.249 809 N C 0.990 176.290 175.510 -0.349 0.000 1.097 809 N CA 0.906 53.842 53.050 -0.190 0.000 0.710 809 N CB -1.041 37.409 38.487 -0.061 0.000 1.032 809 N HN 1.088 nan 8.380 nan 0.000 0.551 810 G N -1.775 106.825 108.800 -0.335 0.000 2.168 810 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.263 810 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.263 810 G C 0.632 175.512 174.900 -0.033 0.000 0.977 810 G CA 0.661 45.591 45.100 -0.283 0.000 0.659 810 G HN 0.477 nan 8.290 nan 0.000 0.533 811 L N -0.267 120.869 121.223 -0.145 0.000 2.467 811 L HA 0.500 4.839 4.340 -0.001 0.000 0.213 811 L C 1.021 177.765 176.870 -0.210 0.000 1.053 811 L CA 1.993 56.654 54.840 -0.298 0.000 0.847 811 L CB 0.132 41.861 42.059 -0.550 0.000 1.075 811 L HN 0.697 nan 8.230 nan 0.000 0.479 812 Q N -1.753 117.925 119.800 -0.202 0.000 2.435 812 Q HA 0.348 4.688 4.340 -0.001 0.000 0.282 812 Q C -1.683 174.180 176.000 -0.227 0.000 1.020 812 Q CA -0.737 55.007 55.803 -0.099 0.000 0.820 812 Q CB 1.118 29.863 28.738 0.011 0.000 1.436 812 Q HN -0.036 nan 8.270 nan 0.000 0.395 813 F N 1.396 121.300 119.950 -0.077 0.000 2.427 813 F HA 0.572 5.099 4.527 -0.001 0.000 0.346 813 F C -0.139 175.622 175.800 -0.066 0.000 1.120 813 F CA -0.803 57.163 58.000 -0.056 0.000 1.033 813 F CB 1.570 40.583 39.000 0.021 0.000 1.126 813 F HN 0.520 nan 8.300 nan 0.000 0.462 814 I N 4.013 124.582 120.570 -0.003 0.000 2.441 814 I HA 0.314 4.483 4.170 -0.001 0.000 0.295 814 I C -0.387 175.585 176.117 -0.241 0.000 0.994 814 I CA -0.869 60.378 61.300 -0.088 0.000 1.144 814 I CB 1.173 39.075 38.000 -0.163 0.000 1.314 814 I HN 0.498 nan 8.210 nan 0.000 0.445 815 K N 6.896 127.115 120.400 -0.301 0.000 2.416 815 K HA 0.226 4.545 4.320 -0.001 0.000 0.283 815 K C -0.812 175.344 176.600 -0.739 0.000 1.037 815 K CA -0.342 55.497 56.287 -0.747 0.000 0.995 815 K CB 0.479 32.680 32.500 -0.498 0.000 0.938 815 K HN 0.497 nan 8.250 nan 0.000 0.475 816 R N 3.348 123.228 120.500 -1.034 0.000 2.664 816 R HA 0.335 4.675 4.340 -0.001 0.000 0.286 816 R C -0.423 175.385 176.300 -0.819 0.000 0.967 816 R CA -0.748 54.682 56.100 -1.116 0.000 0.933 816 R CB 1.475 30.572 30.300 -2.004 0.000 1.146 816 R HN 0.656 nan 8.270 nan 0.000 0.468 817 R N 1.621 121.854 120.500 -0.446 0.000 2.439 817 R HA 0.282 4.622 4.340 -0.001 0.000 0.310 817 R C -0.432 175.908 176.300 0.067 0.000 0.955 817 R CA -0.666 55.345 56.100 -0.149 0.000 0.853 817 R CB 1.446 31.699 30.300 -0.078 0.000 1.171 817 R HN 0.526 nan 8.270 nan 0.000 0.449 818 R N 4.932 125.576 120.500 0.241 0.000 2.522 818 R HA 0.092 4.432 4.340 -0.001 0.000 0.284 818 R C -0.923 175.460 176.300 0.139 0.000 1.032 818 R CA 0.273 56.543 56.100 0.283 0.000 1.049 818 R CB 0.377 30.832 30.300 0.259 0.000 0.956 818 R HN 0.546 nan 8.270 nan 0.000 0.422 819 L N 5.191 126.474 121.223 0.101 0.000 2.318 819 L HA 0.211 4.551 4.340 -0.001 0.000 0.277 819 L C 0.232 177.094 176.870 -0.013 0.000 1.008 819 L CA -0.670 54.186 54.840 0.026 0.000 0.846 819 L CB 1.896 43.940 42.059 -0.025 0.000 1.220 819 L HN 0.645 nan 8.230 nan 0.000 0.423 820 D N 1.707 122.107 120.400 -0.000 0.000 2.348 820 D HA -0.123 4.516 4.640 -0.001 0.000 0.216 820 D C 1.754 178.036 176.300 -0.030 0.000 0.970 820 D CA 0.817 54.812 54.000 -0.010 0.000 0.889 820 D CB 0.364 41.167 40.800 0.006 0.000 0.912 820 D HN 0.565 nan 8.370 nan 0.000 0.524 821 K N 0.267 120.641 120.400 -0.043 0.000 2.439 821 K HA -0.008 4.312 4.320 -0.001 0.000 0.197 821 K C 0.703 177.241 176.600 -0.104 0.000 1.041 821 K CA 0.388 56.646 56.287 -0.049 0.000 0.970 821 K CB 0.268 32.754 32.500 -0.022 0.000 0.773 821 K HN 0.107 nan 8.250 nan 0.000 0.479 822 L N 2.362 123.483 121.223 -0.170 0.000 2.334 822 L HA 0.451 4.791 4.340 -0.001 0.000 0.272 822 L C -2.220 174.539 176.870 -0.186 0.000 1.020 822 L CA -2.928 51.768 54.840 -0.240 0.000 0.812 822 L CB 1.343 43.160 42.059 -0.403 0.000 1.264 822 L HN -0.040 nan 8.230 nan 0.000 0.439 823 P HA 0.027 nan 4.420 nan 0.000 0.272 823 P C 0.848 178.012 177.300 -0.226 0.000 1.240 823 P CA -0.388 62.605 63.100 -0.177 0.000 0.791 823 P CB 1.212 32.827 31.700 -0.142 0.000 0.978 824 L N 0.954 122.073 121.223 -0.172 0.000 1.997 824 L HA -0.285 4.054 4.340 -0.001 0.000 0.216 824 L C 2.493 179.255 176.870 -0.179 0.000 1.074 824 L CA 1.972 56.731 54.840 -0.134 0.000 0.763 824 L CB -0.673 41.307 42.059 -0.133 0.000 0.890 824 L HN 0.431 nan 8.230 nan 0.000 0.434 825 Q N -0.252 119.325 119.800 -0.371 0.000 2.291 825 Q HA -0.181 4.159 4.340 -0.001 0.000 0.206 825 Q C 1.849 177.732 176.000 -0.195 0.000 0.976 825 Q CA 1.541 57.151 55.803 -0.321 0.000 0.875 825 Q CB -0.535 27.932 28.738 -0.452 0.000 0.927 825 Q HN 0.625 nan 8.270 nan 0.000 0.450 826 A N 1.471 123.972 122.820 -0.532 0.000 2.067 826 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 826 A C 1.639 179.037 177.584 -0.310 0.000 1.156 826 A CA 0.718 52.298 52.037 -0.761 0.000 0.683 826 A CB -0.168 18.035 19.000 -1.328 0.000 0.808 826 A HN 0.351 nan 8.150 nan 0.000 0.455 827 N N -1.070 117.556 118.700 -0.122 0.000 2.398 827 N HA 0.044 4.783 4.740 -0.001 0.000 0.188 827 N C -0.822 174.775 175.510 0.146 0.000 1.122 827 N CA 0.194 53.290 53.050 0.076 0.000 0.866 827 N CB 0.033 38.618 38.487 0.163 0.000 0.970 827 N HN 0.452 nan 8.380 nan 0.000 0.462 828 Y N 0.374 120.630 120.300 -0.074 0.000 2.319 828 Y HA 0.165 4.715 4.550 -0.001 0.000 0.328 828 Y C -0.130 175.717 175.900 -0.087 0.000 1.133 828 Y CA -0.028 58.112 58.100 0.067 0.000 1.265 828 Y CB 0.321 38.900 38.460 0.199 0.000 1.218 828 Y HN -0.059 nan 8.280 nan 0.000 0.508 829 Y N 3.176 123.616 120.300 0.234 0.000 2.576 829 Y HA 0.443 4.992 4.550 -0.001 0.000 0.346 829 Y C -2.296 173.305 175.900 -0.498 0.000 1.018 829 Y CA -2.998 55.089 58.100 -0.021 0.000 1.050 829 Y CB 1.436 39.880 38.460 -0.027 0.000 1.280 829 Y HN 0.444 nan 8.280 nan 0.000 0.474 830 P HA 0.101 nan 4.420 nan 0.000 0.268 830 P C -0.593 176.466 177.300 -0.401 0.000 1.204 830 P CA 0.310 62.835 63.100 -0.959 0.000 0.768 830 P CB 0.486 31.532 31.700 -1.091 0.000 0.842 831 I N 5.140 125.557 120.570 -0.254 0.000 2.692 831 I HA 0.168 4.338 4.170 -0.001 0.000 0.285 831 I C -1.703 174.344 176.117 -0.115 0.000 1.191 831 I CA -2.380 58.841 61.300 -0.131 0.000 1.128 831 I CB 0.710 38.691 38.000 -0.032 0.000 1.585 831 I HN 0.202 nan 8.210 nan 0.000 0.558 832 P HA -0.058 nan 4.420 nan 0.000 0.223 832 P C 1.070 178.341 177.300 -0.047 0.000 1.151 832 P CA 1.175 64.206 63.100 -0.116 0.000 0.787 832 P CB 0.549 32.153 31.700 -0.160 0.000 0.788 833 S N -3.645 112.031 115.700 -0.040 0.000 2.551 833 S HA 0.448 4.918 4.470 -0.001 0.000 0.276 833 S C 0.498 175.187 174.600 0.148 0.000 1.051 833 S CA 0.315 58.548 58.200 0.054 0.000 1.377 833 S CB 0.180 63.435 63.200 0.092 0.000 1.208 833 S HN 0.321 nan 8.310 nan 0.000 0.656 834 G N 1.626 110.520 108.800 0.157 0.000 2.489 834 G HA2 0.552 4.511 3.960 -0.001 0.000 0.291 834 G HA3 0.552 4.511 3.960 -0.001 0.000 0.291 834 G C -1.439 173.714 174.900 0.421 0.000 1.487 834 G CA -0.415 44.903 45.100 0.363 0.000 0.795 834 G HN 0.905 nan 8.290 nan 0.000 0.513 835 M N -0.452 119.407 119.600 0.430 0.000 2.520 835 M HA 0.897 5.376 4.480 -0.001 0.000 0.280 835 M C -1.764 174.770 176.300 0.390 0.000 1.232 835 M CA -1.039 54.476 55.300 0.359 0.000 0.892 835 M CB 2.560 35.284 32.600 0.207 0.000 1.728 835 M HN 1.135 nan 8.290 nan 0.000 0.475 836 F N 1.031 121.125 119.950 0.240 0.000 2.654 836 F HA 0.895 5.422 4.527 -0.001 0.000 0.308 836 F C -1.669 174.265 175.800 0.224 0.000 1.108 836 F CA -1.176 56.906 58.000 0.137 0.000 0.957 836 F CB 1.137 40.129 39.000 -0.014 0.000 1.309 836 F HN 0.774 nan 8.300 nan 0.000 0.446 837 I N 0.005 120.803 120.570 0.379 0.000 2.740 837 I HA 0.890 5.059 4.170 -0.001 0.000 0.303 837 I C -1.319 174.985 176.117 0.312 0.000 1.044 837 I CA -0.880 60.611 61.300 0.318 0.000 1.064 837 I CB 2.352 40.457 38.000 0.175 0.000 1.249 837 I HN 0.948 nan 8.210 nan 0.000 0.433 838 E N 1.955 122.321 120.200 0.277 0.000 2.407 838 E HA 0.503 4.853 4.350 -0.001 0.000 0.279 838 E C -2.044 174.639 176.600 0.138 0.000 1.012 838 E CA -0.851 55.656 56.400 0.178 0.000 0.800 838 E CB 2.159 31.958 29.700 0.165 0.000 1.276 838 E HN 0.743 nan 8.360 nan 0.000 0.452 839 D N 0.856 121.307 120.400 0.085 0.000 2.723 839 D HA 0.458 5.098 4.640 -0.001 0.000 0.247 839 D C 1.012 177.341 176.300 0.048 0.000 1.134 839 D CA -0.152 53.890 54.000 0.070 0.000 1.099 839 D CB -0.010 40.824 40.800 0.056 0.000 1.287 839 D HN 0.453 nan 8.370 nan 0.000 0.634 840 A N -0.649 122.193 122.820 0.037 0.000 1.978 840 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 840 A C 1.597 179.185 177.584 0.007 0.000 1.170 840 A CA 1.707 53.758 52.037 0.023 0.000 0.636 840 A CB -0.742 18.269 19.000 0.020 0.000 0.810 840 A HN 0.528 nan 8.150 nan 0.000 0.448 841 N N -1.844 116.860 118.700 0.006 0.000 2.397 841 N HA 0.073 4.813 4.740 -0.001 0.000 0.190 841 N C -0.438 175.061 175.510 -0.019 0.000 1.099 841 N CA 0.762 53.807 53.050 -0.008 0.000 0.876 841 N CB 0.630 39.114 38.487 -0.005 0.000 1.143 841 N HN 0.314 nan 8.380 nan 0.000 0.468 842 T N 0.608 115.156 114.554 -0.010 0.000 2.886 842 T HA 0.445 4.795 4.350 -0.001 0.000 0.292 842 T C -0.600 174.092 174.700 -0.013 0.000 1.012 842 T CA -0.655 61.433 62.100 -0.020 0.000 0.982 842 T CB 2.823 71.684 68.868 -0.012 0.000 1.018 842 T HN -0.034 nan 8.240 nan 0.000 0.451 843 R N 2.133 122.608 120.500 -0.041 0.000 2.686 843 R HA 0.735 5.074 4.340 -0.001 0.000 0.283 843 R C -1.955 174.322 176.300 -0.039 0.000 0.978 843 R CA -0.909 55.170 56.100 -0.035 0.000 0.897 843 R CB 1.333 31.550 30.300 -0.137 0.000 1.192 843 R HN 0.456 nan 8.270 nan 0.000 0.457 844 L N 2.604 123.834 121.223 0.013 0.000 2.349 844 L HA 0.497 4.837 4.340 -0.001 0.000 0.278 844 L C -1.297 175.612 176.870 0.066 0.000 0.996 844 L CA 0.078 54.918 54.840 0.001 0.000 0.825 844 L CB 2.257 44.303 42.059 -0.021 0.000 1.243 844 L HN 0.644 nan 8.230 nan 0.000 0.412 845 T N 5.749 120.320 114.554 0.028 0.000 2.807 845 T HA 0.552 4.902 4.350 -0.001 0.000 0.279 845 T C -0.998 173.763 174.700 0.102 0.000 0.993 845 T CA -0.254 61.900 62.100 0.090 0.000 0.970 845 T CB 1.331 70.178 68.868 -0.035 0.000 0.950 845 T HN 0.464 nan 8.240 nan 0.000 0.441 846 L N 5.271 126.591 121.223 0.162 0.000 2.298 846 L HA 0.531 4.870 4.340 -0.001 0.000 0.284 846 L C -1.275 175.739 176.870 0.240 0.000 1.013 846 L CA -0.704 54.243 54.840 0.179 0.000 0.824 846 L CB 0.472 42.620 42.059 0.148 0.000 1.221 846 L HN 0.398 nan 8.230 nan 0.000 0.418 847 L N 3.883 125.248 121.223 0.236 0.000 2.343 847 L HA 0.632 4.972 4.340 -0.001 0.000 0.275 847 L C 0.538 177.549 176.870 0.235 0.000 1.056 847 L CA -0.242 54.733 54.840 0.225 0.000 0.804 847 L CB 1.377 43.535 42.059 0.163 0.000 1.203 847 L HN 0.766 nan 8.230 nan 0.000 0.440 848 T N -2.397 112.244 114.554 0.145 0.000 2.885 848 T HA 0.601 4.951 4.350 -0.001 0.000 0.285 848 T C 0.701 175.348 174.700 -0.089 0.000 1.019 848 T CA -0.352 61.741 62.100 -0.013 0.000 1.010 848 T CB 1.892 70.761 68.868 0.002 0.000 1.022 848 T HN 0.685 nan 8.240 nan 0.000 0.466 849 G N 1.456 110.125 108.800 -0.219 0.000 3.284 849 G HA2 0.409 4.369 3.960 -0.001 0.000 0.236 849 G HA3 0.409 4.369 3.960 -0.001 0.000 0.236 849 G C 0.184 175.008 174.900 -0.126 0.000 1.158 849 G CA -0.328 44.681 45.100 -0.152 0.000 0.774 849 G HN 0.957 nan 8.290 nan 0.000 0.545 850 Q N -0.234 119.491 119.800 -0.126 0.000 2.479 850 Q HA 0.300 4.639 4.340 -0.001 0.000 0.276 850 Q C -3.528 172.434 176.000 -0.064 0.000 0.989 850 Q CA -2.291 53.469 55.803 -0.073 0.000 0.864 850 Q CB 1.830 30.547 28.738 -0.035 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.451 nan 4.420 nan 0.000 0.281 851 P C -0.711 176.576 177.300 -0.022 0.000 1.252 851 P CA -0.133 62.949 63.100 -0.030 0.000 0.778 851 P CB 0.955 32.643 31.700 -0.020 0.000 0.895 852 L N 1.805 123.009 121.223 -0.032 0.000 2.403 852 L HA 0.692 5.031 4.340 -0.001 0.000 0.253 852 L C 0.753 177.638 176.870 0.026 0.000 1.045 852 L CA -1.128 53.716 54.840 0.006 0.000 0.845 852 L CB 2.132 44.179 42.059 -0.019 0.000 1.447 852 L HN 0.338 nan 8.230 nan 0.000 0.411 853 G N -1.009 107.862 108.800 0.119 0.000 2.425 853 G HA2 0.693 4.653 3.960 -0.001 0.000 0.302 853 G HA3 0.693 4.653 3.960 -0.001 0.000 0.302 853 G C -0.533 174.390 174.900 0.040 0.000 1.159 853 G CA 0.072 45.294 45.100 0.202 0.000 0.865 853 G HN 0.875 nan 8.290 nan 0.000 0.515 854 G N -1.436 107.198 108.800 -0.277 0.000 2.548 854 G HA2 0.672 4.632 3.960 -0.001 0.000 0.301 854 G HA3 0.672 4.632 3.960 -0.001 0.000 0.301 854 G C -1.193 173.249 174.900 -0.764 0.000 1.349 854 G CA 0.450 45.173 45.100 -0.628 0.000 0.792 854 G HN 1.289 nan 8.290 nan 0.000 0.481 855 S N -1.951 113.377 115.700 -0.620 0.000 2.661 855 S HA 0.719 5.189 4.470 -0.001 0.000 0.268 855 S C -1.555 172.602 174.600 -0.738 0.000 1.162 855 S CA 0.329 58.167 58.200 -0.603 0.000 0.817 855 S CB 1.323 64.239 63.200 -0.472 0.000 1.141 855 S HN 1.517 nan 8.310 nan 0.000 0.477 856 S N 1.648 116.606 115.700 -1.237 0.000 2.718 856 S HA 0.495 4.965 4.470 -0.001 0.000 0.294 856 S C 0.171 174.518 174.600 -0.421 0.000 1.157 856 S CA -0.630 57.118 58.200 -0.753 0.000 1.121 856 S CB -0.028 62.672 63.200 -0.833 0.000 1.015 856 S HN 0.573 nan 8.310 nan 0.000 0.479 857 L N 3.133 124.249 121.223 -0.177 0.000 2.567 857 L HA 0.491 4.830 4.340 -0.001 0.000 0.225 857 L C 0.865 177.725 176.870 -0.016 0.000 1.119 857 L CA 0.234 55.049 54.840 -0.042 0.000 0.871 857 L CB 0.056 42.148 42.059 0.056 0.000 1.036 857 L HN 0.686 nan 8.230 nan 0.000 0.459 858 A N -1.189 121.610 122.820 -0.036 0.000 2.606 858 A HA 0.472 4.792 4.320 -0.001 0.000 0.293 858 A C -0.441 177.139 177.584 -0.006 0.000 1.082 858 A CA -0.431 51.602 52.037 -0.007 0.000 0.685 858 A CB 1.265 20.268 19.000 0.005 0.000 1.284 858 A HN -0.135 nan 8.150 nan 0.000 0.408 859 S N -0.185 115.524 115.700 0.015 0.000 2.558 859 S HA 0.393 4.863 4.470 -0.001 0.000 0.293 859 S C 1.523 176.140 174.600 0.028 0.000 1.292 859 S CA 1.884 60.100 58.200 0.028 0.000 1.063 859 S CB -0.054 63.166 63.200 0.032 0.000 0.831 859 S HN 2.655 nan 8.310 nan 0.000 0.499 860 G N 3.344 112.165 108.800 0.034 0.000 2.179 860 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.260 860 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.260 860 G C -0.153 174.748 174.900 0.001 0.000 0.977 860 G CA 0.475 45.597 45.100 0.037 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.533 861 E N -0.418 119.767 120.200 -0.025 0.000 2.202 861 E HA 0.756 5.106 4.350 -0.001 0.000 0.272 861 E C -0.144 176.395 176.600 -0.102 0.000 0.951 861 E CA -0.700 55.662 56.400 -0.063 0.000 0.813 861 E CB 1.703 31.367 29.700 -0.061 0.000 1.151 861 E HN 0.260 nan 8.360 nan 0.000 0.398 862 L N 1.807 122.964 121.223 -0.110 0.000 2.388 862 L HA 0.498 4.838 4.340 -0.001 0.000 0.264 862 L C -0.527 176.273 176.870 -0.117 0.000 0.998 862 L CA -0.657 54.107 54.840 -0.125 0.000 0.817 862 L CB 1.984 43.999 42.059 -0.074 0.000 1.338 862 L HN 0.658 nan 8.230 nan 0.000 0.414 863 E N 2.675 122.800 120.200 -0.125 0.000 2.390 863 E HA 0.701 5.051 4.350 -0.001 0.000 0.277 863 E C -1.562 174.996 176.600 -0.069 0.000 0.939 863 E CA -0.852 55.506 56.400 -0.069 0.000 0.769 863 E CB 3.347 33.053 29.700 0.009 0.000 1.251 863 E HN 0.534 nan 8.360 nan 0.000 0.450 864 I N 2.123 122.690 120.570 -0.005 0.000 2.610 864 I HA 0.297 4.467 4.170 -0.001 0.000 0.289 864 I C -1.393 174.789 176.117 0.109 0.000 1.163 864 I CA -1.074 60.244 61.300 0.030 0.000 1.044 864 I CB 1.918 39.941 38.000 0.038 0.000 1.251 864 I HN 0.780 nan 8.210 nan 0.000 0.424 865 M N 6.410 126.112 119.600 0.170 0.000 2.228 865 M HA 0.205 4.684 4.480 -0.001 0.000 0.351 865 M C 0.590 176.985 176.300 0.158 0.000 1.233 865 M CA 0.675 56.081 55.300 0.176 0.000 1.129 865 M CB 0.871 33.548 32.600 0.128 0.000 1.604 865 M HN 0.576 nan 8.290 nan 0.000 0.457 866 Q N 1.483 121.410 119.800 0.211 0.000 2.304 866 Q HA 0.250 4.590 4.340 -0.001 0.000 0.204 866 Q C -0.229 175.975 176.000 0.339 0.000 0.936 866 Q CA 0.808 56.800 55.803 0.315 0.000 0.878 866 Q CB 0.391 29.349 28.738 0.367 0.000 0.983 866 Q HN 0.780 nan 8.270 nan 0.000 0.516 867 D N -0.950 119.581 120.400 0.220 0.000 2.710 867 D HA 0.291 4.930 4.640 -0.001 0.000 0.276 867 D C -1.442 174.927 176.300 0.115 0.000 1.267 867 D CA -0.479 53.628 54.000 0.180 0.000 0.772 867 D CB 1.374 42.273 40.800 0.166 0.000 1.299 867 D HN 0.040 nan 8.370 nan 0.000 0.421 868 R N 0.687 121.243 120.500 0.094 0.000 2.566 868 R HA 0.665 5.004 4.340 -0.001 0.000 0.271 868 R C -1.110 175.232 176.300 0.071 0.000 1.071 868 R CA -1.055 55.085 56.100 0.065 0.000 0.915 868 R CB 2.024 32.335 30.300 0.018 0.000 1.228 868 R HN 0.329 nan 8.270 nan 0.000 0.449 869 R N 3.737 124.276 120.500 0.065 0.000 2.483 869 R HA 0.480 4.819 4.340 -0.001 0.000 0.303 869 R C -1.507 174.826 176.300 0.055 0.000 0.987 869 R CA -0.562 55.574 56.100 0.059 0.000 0.881 869 R CB 1.295 31.626 30.300 0.052 0.000 1.177 869 R HN 0.718 nan 8.270 nan 0.000 0.451 870 L N 3.904 125.159 121.223 0.053 0.000 2.409 870 L HA 0.528 4.867 4.340 -0.001 0.000 0.272 870 L C 0.678 177.574 176.870 0.044 0.000 0.980 870 L CA -0.553 54.317 54.840 0.050 0.000 0.826 870 L CB 2.171 44.261 42.059 0.051 0.000 1.268 870 L HN 0.814 nan 8.230 nan 0.000 0.407 871 A N 1.571 124.414 122.820 0.038 0.000 2.072 871 A HA 0.157 4.477 4.320 -0.001 0.000 0.216 871 A C 0.984 178.586 177.584 0.031 0.000 1.156 871 A CA 0.603 52.660 52.037 0.033 0.000 0.701 871 A CB 0.063 19.080 19.000 0.028 0.000 0.816 871 A HN 0.598 nan 8.150 nan 0.000 0.458 872 S N 0.061 115.780 115.700 0.031 0.000 2.617 872 S HA 0.397 4.866 4.470 -0.001 0.000 0.283 872 S C -0.557 174.064 174.600 0.034 0.000 1.189 872 S CA -0.607 57.609 58.200 0.027 0.000 1.036 872 S CB 1.362 64.574 63.200 0.021 0.000 1.014 872 S HN 0.499 nan 8.310 nan 0.000 0.522 873 D N 0.432 120.851 120.400 0.033 0.000 2.341 873 D HA 0.203 4.843 4.640 -0.001 0.000 0.245 873 D C -0.124 176.194 176.300 0.030 0.000 1.106 873 D CA -0.357 53.670 54.000 0.044 0.000 0.905 873 D CB 0.683 41.507 40.800 0.041 0.000 1.202 873 D HN 0.496 nan 8.370 nan 0.000 0.426 874 D N 1.796 122.218 120.400 0.036 0.000 2.559 874 D HA 0.078 4.717 4.640 -0.001 0.000 0.234 874 D C -0.387 175.870 176.300 -0.072 0.000 1.226 874 D CA -0.286 53.703 54.000 -0.019 0.000 0.830 874 D CB -0.415 40.365 40.800 -0.033 0.000 1.028 874 D HN 0.688 nan 8.370 nan 0.000 0.492 875 E N -0.430 119.752 120.200 -0.029 0.000 2.957 875 E HA -0.204 4.145 4.350 -0.001 0.000 0.287 875 E C 0.379 176.935 176.600 -0.072 0.000 0.976 875 E CA 0.215 56.593 56.400 -0.036 0.000 0.907 875 E CB -0.846 28.830 29.700 -0.041 0.000 1.456 875 E HN 0.181 nan 8.360 nan 0.000 0.421 876 R N -0.520 119.903 120.500 -0.129 0.000 2.472 876 R HA 0.220 4.560 4.340 -0.001 0.000 0.279 876 R C 1.423 177.765 176.300 0.070 0.000 0.953 876 R CA 0.765 56.705 56.100 -0.267 0.000 1.088 876 R CB 1.073 30.722 30.300 -1.085 0.000 1.197 876 R HN 0.411 nan 8.270 nan 0.000 0.536 877 G N 0.725 109.647 108.800 0.204 0.000 2.201 877 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.212 877 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.212 877 G C 0.725 175.721 174.900 0.159 0.000 0.994 877 G CA 0.219 45.519 45.100 0.333 0.000 0.644 877 G HN 0.282 nan 8.290 nan 0.000 0.508 878 L N 1.470 122.887 121.223 0.323 0.000 2.109 878 L HA 0.465 4.805 4.340 -0.001 0.000 0.207 878 L C 2.173 179.039 176.870 -0.008 0.000 1.086 878 L CA 2.745 57.672 54.840 0.146 0.000 0.760 878 L CB -0.610 41.676 42.059 0.379 0.000 0.910 878 L HN 1.704 nan 8.230 nan 0.000 0.437 879 G N -0.319 108.507 108.800 0.043 0.000 2.176 879 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.252 879 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.252 879 G C 0.040 174.951 174.900 0.018 0.000 1.024 879 G CA 0.633 45.740 45.100 0.012 0.000 0.755 879 G HN 0.807 nan 8.290 nan 0.000 0.507 880 Q N -2.103 117.723 119.800 0.043 0.000 2.633 880 Q HA 0.679 5.018 4.340 -0.001 0.000 0.289 880 Q C 0.388 176.422 176.000 0.056 0.000 0.940 880 Q CA -0.604 55.224 55.803 0.042 0.000 0.785 880 Q CB 0.427 29.187 28.738 0.038 0.000 1.467 880 Q HN 0.965 nan 8.270 nan 0.000 0.401 881 G N 0.030 108.859 108.800 0.048 0.000 2.531 881 G HA2 0.514 4.473 3.960 -0.001 0.000 0.253 881 G HA3 0.514 4.473 3.960 -0.001 0.000 0.253 881 G C -0.946 173.988 174.900 0.057 0.000 1.439 881 G CA -0.630 44.501 45.100 0.051 0.000 1.056 881 G HN 0.417 nan 8.290 nan 0.000 0.555 882 V N 0.895 120.843 119.914 0.057 0.000 2.289 882 V HA 0.333 4.452 4.120 -0.001 0.000 0.272 882 V C 0.071 176.202 176.094 0.063 0.000 1.026 882 V CA -0.151 62.189 62.300 0.066 0.000 0.807 882 V CB 0.861 32.726 31.823 0.071 0.000 1.044 882 V HN 0.538 nan 8.190 nan 0.000 0.443 883 L N 3.050 124.309 121.223 0.060 0.000 3.229 883 L HA 0.312 4.652 4.340 -0.001 0.000 0.286 883 L C 0.669 177.568 176.870 0.050 0.000 1.239 883 L CA 0.002 54.872 54.840 0.050 0.000 1.035 883 L CB 0.665 42.748 42.059 0.039 0.000 1.408 883 L HN 0.643 nan 8.230 nan 0.000 0.593 884 D N -1.923 118.516 120.400 0.065 0.000 2.491 884 D HA 0.044 4.684 4.640 -0.001 0.000 0.228 884 D C 0.163 176.506 176.300 0.071 0.000 1.183 884 D CA -0.429 53.610 54.000 0.066 0.000 0.827 884 D CB -0.453 40.396 40.800 0.082 0.000 0.989 884 D HN 0.103 nan 8.370 nan 0.000 0.494 885 N N 1.670 120.409 118.700 0.065 0.000 2.395 885 N HA 0.102 4.842 4.740 -0.001 0.000 0.246 885 N C 0.178 175.698 175.510 0.017 0.000 1.246 885 N CA 0.325 53.413 53.050 0.062 0.000 0.879 885 N CB 0.607 39.128 38.487 0.056 0.000 1.098 885 N HN 0.316 nan 8.380 nan 0.000 0.444 886 K N -0.527 119.871 120.400 -0.002 0.000 2.532 886 K HA 0.543 4.863 4.320 -0.001 0.000 0.265 886 K C -3.266 173.312 176.600 -0.038 0.000 0.948 886 K CA -2.028 54.214 56.287 -0.075 0.000 0.842 886 K CB 1.356 33.726 32.500 -0.217 0.000 1.392 886 K HN 0.128 nan 8.250 nan 0.000 0.436 887 P HA -0.034 nan 4.420 nan 0.000 0.264 887 P C -0.988 176.335 177.300 0.039 0.000 1.183 887 P CA -0.422 62.660 63.100 -0.029 0.000 0.763 887 P CB 0.727 32.396 31.700 -0.051 0.000 0.807 888 V N 5.006 124.907 119.914 -0.022 0.000 2.841 888 V HA 0.481 4.601 4.120 -0.001 0.000 0.310 888 V C -1.302 174.661 176.094 -0.219 0.000 1.090 888 V CA -1.107 61.150 62.300 -0.071 0.000 0.930 888 V CB 2.139 33.892 31.823 -0.116 0.000 1.014 888 V HN 0.285 nan 8.190 nan 0.000 0.425 889 L N 6.862 127.978 121.223 -0.178 0.000 2.272 889 L HA 0.590 4.930 4.340 -0.001 0.000 0.284 889 L C -0.396 176.442 176.870 -0.052 0.000 1.045 889 L CA 0.119 54.890 54.840 -0.115 0.000 0.842 889 L CB 0.295 42.312 42.059 -0.070 0.000 1.224 889 L HN 0.696 nan 8.230 nan 0.000 0.430 890 H N 5.603 124.692 119.070 0.033 0.000 2.525 890 H HA 0.484 5.039 4.556 -0.001 0.000 0.339 890 H C -0.109 175.126 175.328 -0.155 0.000 1.109 890 H CA -0.195 55.820 56.048 -0.056 0.000 1.352 890 H CB 1.277 31.084 29.762 0.076 0.000 1.461 890 H HN 0.690 nan 8.280 nan 0.000 0.533 891 I N 0.220 120.621 120.570 -0.281 0.000 2.646 891 I HA 0.610 4.779 4.170 -0.001 0.000 0.299 891 I C -1.410 174.348 176.117 -0.599 0.000 1.036 891 I CA -0.931 60.221 61.300 -0.247 0.000 1.074 891 I CB 2.112 40.054 38.000 -0.096 0.000 1.258 891 I HN 0.241 nan 8.210 nan 0.000 0.430 892 Y N 2.494 122.835 120.300 0.067 0.000 2.638 892 Y HA 0.684 5.233 4.550 -0.001 0.000 0.335 892 Y C -0.623 175.321 175.900 0.074 0.000 1.155 892 Y CA -1.075 57.072 58.100 0.078 0.000 1.046 892 Y CB 1.632 40.159 38.460 0.112 0.000 1.303 892 Y HN 0.421 nan 8.280 nan 0.000 0.460 893 R N 1.423 122.076 120.500 0.256 0.000 2.686 893 R HA 0.607 4.946 4.340 -0.001 0.000 0.286 893 R C -1.916 174.493 176.300 0.181 0.000 0.969 893 R CA -1.138 55.068 56.100 0.177 0.000 0.898 893 R CB 2.567 32.929 30.300 0.105 0.000 1.183 893 R HN 0.643 nan 8.270 nan 0.000 0.456 894 L N 2.544 123.856 121.223 0.149 0.000 2.316 894 L HA 0.427 4.767 4.340 -0.001 0.000 0.280 894 L C -1.222 175.678 176.870 0.050 0.000 1.006 894 L CA -0.553 54.353 54.840 0.110 0.000 0.836 894 L CB 1.798 43.938 42.059 0.136 0.000 1.221 894 L HN 0.306 nan 8.230 nan 0.000 0.418 895 V N 6.237 126.164 119.914 0.021 0.000 2.326 895 V HA 0.395 4.514 4.120 -0.001 0.000 0.281 895 V C -0.325 175.743 176.094 -0.043 0.000 1.015 895 V CA -0.575 61.716 62.300 -0.014 0.000 0.823 895 V CB 1.351 33.157 31.823 -0.027 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.462 126.656 121.223 -0.049 0.000 2.275 896 L HA 0.670 5.010 4.340 -0.001 0.000 0.288 896 L C -0.113 176.716 176.870 -0.068 0.000 1.046 896 L CA 0.647 55.449 54.840 -0.063 0.000 0.805 896 L CB 1.031 43.049 42.059 -0.067 0.000 1.193 896 L HN 0.726 nan 8.230 nan 0.000 0.426 897 E N 3.695 123.848 120.200 -0.078 0.000 2.383 897 E HA 0.430 4.780 4.350 -0.001 0.000 0.275 897 E C -1.238 175.316 176.600 -0.077 0.000 0.918 897 E CA -1.194 55.156 56.400 -0.083 0.000 0.764 897 E CB 1.557 31.191 29.700 -0.110 0.000 1.252 897 E HN 0.255 nan 8.360 nan 0.000 0.449 898 K N 1.501 121.859 120.400 -0.070 0.000 2.297 898 K HA 0.172 4.492 4.320 -0.001 0.000 0.286 898 K C 0.438 176.995 176.600 -0.072 0.000 1.053 898 K CA -0.135 56.115 56.287 -0.061 0.000 0.940 898 K CB 1.206 33.675 32.500 -0.052 0.000 1.019 898 K HN 0.477 nan 8.250 nan 0.000 0.475 899 V N -0.349 119.524 119.914 -0.068 0.000 3.380 899 V HA 0.014 4.133 4.120 -0.001 0.000 0.307 899 V C 1.205 177.265 176.094 -0.057 0.000 1.434 899 V CA -0.240 62.012 62.300 -0.079 0.000 1.075 899 V CB -0.322 31.439 31.823 -0.104 0.000 0.954 899 V HN 0.604 nan 8.190 nan 0.000 0.444 900 N N 1.534 120.208 118.700 -0.043 0.000 2.364 900 N HA -0.185 4.554 4.740 -0.001 0.000 0.183 900 N C 1.039 176.528 175.510 -0.034 0.000 1.022 900 N CA 1.663 54.695 53.050 -0.031 0.000 0.883 900 N CB -0.518 37.955 38.487 -0.023 0.000 0.965 900 N HN 0.534 nan 8.380 nan 0.000 0.438 901 N N 0.038 118.713 118.700 -0.043 0.000 2.336 901 N HA 0.073 4.812 4.740 -0.001 0.000 0.189 901 N C -0.252 175.227 175.510 -0.052 0.000 1.113 901 N CA -0.109 52.915 53.050 -0.043 0.000 0.858 901 N CB 0.063 38.524 38.487 -0.043 0.000 0.970 901 N HN 0.209 nan 8.380 nan 0.000 0.471 902 c N 1.265 119.828 118.600 -0.062 0.000 2.601 902 c HA 0.235 4.804 4.570 -0.001 0.000 0.409 902 c C 1.058 175.110 174.090 -0.064 0.000 1.293 902 c CA -0.898 55.386 56.329 -0.075 0.000 2.101 902 c CB 0.695 43.147 42.510 -0.097 0.000 2.639 902 c HN 0.018 nan 8.230 nan 0.000 0.592 903 V N 5.771 125.642 119.914 -0.071 0.000 2.370 903 V HA 0.183 4.303 4.120 -0.001 0.000 0.257 903 V C 0.685 176.741 176.094 -0.064 0.000 1.064 903 V CA 0.385 62.647 62.300 -0.062 0.000 0.975 903 V CB -0.778 31.003 31.823 -0.069 0.000 1.067 903 V HN 0.777 nan 8.190 nan 0.000 0.485 904 R N 4.666 125.142 120.500 -0.041 0.000 2.643 904 R HA 0.513 4.853 4.340 -0.001 0.000 0.272 904 R C -2.393 173.904 176.300 -0.006 0.000 0.995 904 R CA -1.820 54.266 56.100 -0.023 0.000 1.032 904 R CB 0.977 31.268 30.300 -0.014 0.000 1.126 904 R HN 0.389 nan 8.270 nan 0.000 0.505 905 P HA -0.048 nan 4.420 nan 0.000 0.269 905 P C -0.380 176.964 177.300 0.074 0.000 1.217 905 P CA -0.159 62.936 63.100 -0.008 0.000 0.783 905 P CB 0.559 32.189 31.700 -0.117 0.000 0.898 906 S N 1.036 116.805 115.700 0.116 0.000 2.596 906 S HA 0.082 4.552 4.470 -0.001 0.000 0.260 906 S C 1.112 175.793 174.600 0.136 0.000 1.336 906 S CA -0.185 58.084 58.200 0.114 0.000 0.993 906 S CB 0.313 63.580 63.200 0.113 0.000 0.923 906 S HN 0.315 nan 8.310 nan 0.000 0.567 907 K N 0.207 120.667 120.400 0.101 0.000 2.211 907 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 907 K C 1.394 178.048 176.600 0.091 0.000 1.047 907 K CA 1.333 57.675 56.287 0.092 0.000 0.935 907 K CB -0.542 31.997 32.500 0.064 0.000 0.728 907 K HN 0.560 nan 8.250 nan 0.000 0.452 908 L N -0.078 121.202 121.223 0.094 0.000 2.607 908 L HA 0.057 4.397 4.340 -0.001 0.000 0.228 908 L C 0.890 177.809 176.870 0.082 0.000 1.123 908 L CA -0.279 54.601 54.840 0.065 0.000 0.890 908 L CB -0.137 41.947 42.059 0.041 0.000 1.103 908 L HN 0.222 nan 8.230 nan 0.000 0.468 909 H N 2.707 121.814 119.070 0.062 0.000 2.722 909 H HA 0.121 4.677 4.556 -0.001 0.000 0.328 909 H C -1.696 173.672 175.328 0.067 0.000 1.067 909 H CA -1.468 54.630 56.048 0.083 0.000 1.447 909 H CB 1.899 31.738 29.762 0.129 0.000 1.469 909 H HN -0.082 nan 8.280 nan 0.000 0.544 910 P HA 0.125 nan 4.420 nan 0.000 0.245 910 P C -0.335 177.070 177.300 0.175 0.000 1.212 910 P CA 0.185 63.319 63.100 0.057 0.000 0.774 910 P CB 0.449 32.110 31.700 -0.065 0.000 0.999 911 A N -0.296 122.796 122.820 0.455 0.000 2.299 911 A HA 0.745 5.064 4.320 -0.001 0.000 0.332 911 A C 0.299 177.945 177.584 0.103 0.000 1.131 911 A CA -0.308 51.862 52.037 0.223 0.000 0.844 911 A CB 1.063 20.184 19.000 0.202 0.000 1.251 911 A HN 0.168 nan 8.150 nan 0.000 0.486 912 G N -1.315 107.422 108.800 -0.106 0.000 2.658 912 G HA2 0.636 4.596 3.960 -0.001 0.000 0.292 912 G HA3 0.636 4.596 3.960 -0.001 0.000 0.292 912 G C -1.820 172.685 174.900 -0.659 0.000 1.320 912 G CA -0.420 44.503 45.100 -0.295 0.000 0.933 912 G HN 0.527 nan 8.290 nan 0.000 0.476 913 Y N -0.794 119.468 120.300 -0.064 0.000 2.492 913 Y HA 0.472 5.021 4.550 -0.001 0.000 0.346 913 Y C 0.394 176.052 175.900 -0.404 0.000 0.997 913 Y CA -0.857 57.138 58.100 -0.176 0.000 1.025 913 Y CB 1.979 40.326 38.460 -0.189 0.000 1.263 913 Y HN 0.344 nan 8.280 nan 0.000 0.454 914 L N 2.299 123.352 121.223 -0.284 0.000 2.464 914 L HA 0.293 4.633 4.340 -0.001 0.000 0.264 914 L C 0.809 177.518 176.870 -0.269 0.000 1.199 914 L CA -0.414 54.180 54.840 -0.410 0.000 0.818 914 L CB 0.642 42.537 42.059 -0.273 0.000 1.102 914 L HN 0.800 nan 8.230 nan 0.000 0.473 915 T N -2.304 112.079 114.554 -0.286 0.000 2.816 915 T HA 0.035 4.385 4.350 -0.001 0.000 0.282 915 T C 1.180 175.820 174.700 -0.100 0.000 0.993 915 T CA -0.141 61.847 62.100 -0.187 0.000 0.994 915 T CB 1.432 70.186 68.868 -0.191 0.000 1.025 915 T HN 0.632 nan 8.240 nan 0.000 0.529 916 S N 0.655 116.309 115.700 -0.076 0.000 2.359 916 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 916 S C 2.335 176.939 174.600 0.007 0.000 1.035 916 S CA 1.509 59.696 58.200 -0.020 0.000 1.018 916 S CB -1.241 61.931 63.200 -0.046 0.000 0.876 916 S HN 0.933 nan 8.310 nan 0.000 0.448 917 A N 1.029 123.829 122.820 -0.032 0.000 1.930 917 A HA 0.269 4.589 4.320 -0.001 0.000 0.217 917 A C 2.444 180.018 177.584 -0.017 0.000 1.175 917 A CA 1.786 53.808 52.037 -0.025 0.000 0.627 917 A CB -1.242 17.733 19.000 -0.042 0.000 0.815 917 A HN 0.797 nan 8.150 nan 0.000 0.443 918 A N -1.114 121.684 122.820 -0.038 0.000 1.929 918 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 918 A C 1.993 179.600 177.584 0.038 0.000 1.176 918 A CA 1.855 53.871 52.037 -0.034 0.000 0.628 918 A CB -0.769 18.155 19.000 -0.126 0.000 0.816 918 A HN 0.740 nan 8.150 nan 0.000 0.444 919 H N 0.231 119.280 119.070 -0.035 0.000 2.321 919 H HA -0.027 4.529 4.556 -0.001 0.000 0.300 919 H C 1.915 177.272 175.328 0.048 0.000 1.087 919 H CA 2.172 58.236 56.048 0.026 0.000 1.319 919 H CB -0.095 29.676 29.762 0.016 0.000 1.379 919 H HN 0.391 nan 8.280 nan 0.000 0.501 920 K N -0.154 120.215 120.400 -0.051 0.000 2.103 920 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 920 K C 2.373 178.936 176.600 -0.062 0.000 1.048 920 K CA 0.984 57.219 56.287 -0.086 0.000 0.930 920 K CB -0.176 32.317 32.500 -0.012 0.000 0.716 920 K HN 0.389 nan 8.250 nan 0.000 0.444 921 A N 0.900 123.706 122.820 -0.024 0.000 1.902 921 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 921 A C 2.228 179.810 177.584 -0.004 0.000 1.181 921 A CA 1.994 54.029 52.037 -0.002 0.000 0.623 921 A CB -0.631 18.382 19.000 0.022 0.000 0.818 921 A HN 0.282 nan 8.150 nan 0.000 0.443 922 S N -0.621 115.079 115.700 0.001 0.000 2.368 922 S HA -0.241 4.228 4.470 -0.001 0.000 0.225 922 S C 2.138 176.717 174.600 -0.036 0.000 1.030 922 S CA 1.742 59.956 58.200 0.023 0.000 0.999 922 S CB -0.414 62.846 63.200 0.099 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.153 119.886 119.800 -0.111 0.000 2.170 923 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 923 Q C 2.353 178.297 176.000 -0.094 0.000 0.976 923 Q CA 1.453 57.191 55.803 -0.109 0.000 0.858 923 Q CB -0.337 28.318 28.738 -0.139 0.000 0.907 923 Q HN 0.538 nan 8.270 nan 0.000 0.433 924 S N 0.060 115.715 115.700 -0.074 0.000 2.447 924 S HA -0.023 4.447 4.470 -0.001 0.000 0.233 924 S C 1.706 176.244 174.600 -0.103 0.000 1.006 924 S CA 0.605 58.760 58.200 -0.075 0.000 0.957 924 S CB 0.086 63.261 63.200 -0.041 0.000 0.773 924 S HN 0.259 nan 8.310 nan 0.000 0.507 925 L N 0.083 121.251 121.223 -0.091 0.000 2.145 925 L HA 0.167 4.507 4.340 -0.001 0.000 0.201 925 L C 2.092 178.864 176.870 -0.162 0.000 1.075 925 L CA 0.671 55.448 54.840 -0.105 0.000 0.773 925 L CB -0.280 41.740 42.059 -0.065 0.000 0.936 925 L HN 0.274 nan 8.230 nan 0.000 0.451 926 L N -1.079 120.054 121.223 -0.150 0.000 2.209 926 L HA 0.009 4.349 4.340 -0.001 0.000 0.207 926 L C 0.182 176.875 176.870 -0.295 0.000 1.094 926 L CA 0.835 55.562 54.840 -0.189 0.000 0.790 926 L CB 0.067 42.050 42.059 -0.127 0.000 0.932 926 L HN 0.222 nan 8.230 nan 0.000 0.447 927 D N 0.204 120.429 120.400 -0.293 0.000 2.739 927 D HA 0.225 4.864 4.640 -0.001 0.000 0.335 927 D C -2.351 173.713 176.300 -0.395 0.000 1.216 927 D CA -0.982 52.786 54.000 -0.387 0.000 0.808 927 D CB 1.210 41.980 40.800 -0.050 0.000 1.121 927 D HN 0.061 nan 8.370 nan 0.000 0.499 928 P HA 0.079 nan 4.420 nan 0.000 0.273 928 P C 0.631 177.805 177.300 -0.209 0.000 1.250 928 P CA -0.442 62.478 63.100 -0.300 0.000 0.793 928 P CB 1.401 32.926 31.700 -0.291 0.000 1.011 929 L N 0.822 121.985 121.223 -0.100 0.000 2.514 929 L HA 0.052 4.392 4.340 -0.001 0.000 0.280 929 L C 0.925 177.813 176.870 0.030 0.000 1.223 929 L CA 0.471 55.308 54.840 -0.006 0.000 0.864 929 L CB -0.413 41.656 42.059 0.016 0.000 1.118 929 L HN 0.280 nan 8.230 nan 0.000 0.494 930 D N 3.412 123.919 120.400 0.180 0.000 2.255 930 D HA 0.316 4.955 4.640 -0.001 0.000 0.249 930 D C -0.282 176.090 176.300 0.122 0.000 1.078 930 D CA -0.237 53.862 54.000 0.165 0.000 0.896 930 D CB 1.563 42.559 40.800 0.327 0.000 1.194 930 D HN 0.386 nan 8.370 nan 0.000 0.429 931 K N 1.384 121.735 120.400 -0.082 0.000 2.345 931 K HA 0.485 4.805 4.320 -0.001 0.000 0.255 931 K C -1.009 175.551 176.600 -0.066 0.000 0.934 931 K CA -0.666 55.676 56.287 0.092 0.000 0.801 931 K CB 1.627 34.143 32.500 0.026 0.000 1.137 931 K HN 0.225 nan 8.250 nan 0.000 0.424 932 F N 2.414 122.571 119.950 0.345 0.000 2.540 932 F HA 0.500 5.026 4.527 -0.001 0.000 0.317 932 F C -0.039 176.042 175.800 0.468 0.000 1.104 932 F CA -0.885 57.300 58.000 0.308 0.000 0.913 932 F CB 1.317 40.325 39.000 0.013 0.000 1.170 932 F HN 0.201 nan 8.300 nan 0.000 0.450 933 I N 3.422 124.370 120.570 0.630 0.000 2.362 933 I HA 0.226 4.396 4.170 -0.001 0.000 0.289 933 I C -0.577 175.823 176.117 0.472 0.000 0.994 933 I CA -0.840 60.753 61.300 0.488 0.000 1.158 933 I CB 1.293 39.476 38.000 0.305 0.000 1.315 933 I HN 0.439 nan 8.210 nan 0.000 0.451 934 F N 5.698 125.813 119.950 0.275 0.000 2.578 934 F HA 0.196 4.723 4.527 -0.001 0.000 0.376 934 F C 1.183 176.904 175.800 -0.133 0.000 1.085 934 F CA 0.164 58.035 58.000 -0.216 0.000 1.260 934 F CB 1.192 40.075 39.000 -0.195 0.000 1.095 934 F HN 0.602 nan 8.300 nan 0.000 0.573 935 A N 4.466 126.684 122.820 -1.004 0.000 1.935 935 A HA 0.060 4.379 4.320 -0.001 0.000 0.214 935 A C 1.013 178.323 177.584 -0.457 0.000 1.178 935 A CA 0.484 52.173 52.037 -0.580 0.000 0.640 935 A CB -0.456 18.189 19.000 -0.593 0.000 0.825 935 A HN 0.797 nan 8.150 nan 0.000 0.447 936 E N -0.478 119.300 120.200 -0.703 0.000 2.622 936 E HA 0.148 4.498 4.350 -0.001 0.000 0.255 936 E C 0.285 176.991 176.600 0.178 0.000 1.313 936 E CA -0.562 55.748 56.400 -0.151 0.000 1.011 936 E CB 0.213 29.909 29.700 -0.007 0.000 1.173 936 E HN 0.230 nan 8.360 nan 0.000 0.601 937 N N 0.405 119.228 118.700 0.205 0.000 2.250 937 N HA -0.057 4.683 4.740 -0.001 0.000 0.181 937 N C -0.340 175.320 175.510 0.248 0.000 1.017 937 N CA 0.877 54.050 53.050 0.205 0.000 0.866 937 N CB 0.285 38.847 38.487 0.125 0.000 0.985 937 N HN 0.397 nan 8.380 nan 0.000 0.429 938 E N -0.620 119.743 120.200 0.273 0.000 2.256 938 E HA 0.110 4.460 4.350 -0.001 0.000 0.268 938 E C -1.488 175.168 176.600 0.094 0.000 0.877 938 E CA -0.677 55.803 56.400 0.134 0.000 0.757 938 E CB 1.277 31.028 29.700 0.084 0.000 1.183 938 E HN 0.016 nan 8.360 nan 0.000 0.418 939 W N 7.733 128.694 121.300 -0.566 0.000 2.295 939 W HA 0.403 5.063 4.660 -0.001 0.000 0.333 939 W C -1.343 174.969 176.519 -0.346 0.000 0.990 939 W CA -1.334 55.532 57.345 -0.799 0.000 1.453 939 W CB -0.166 28.340 29.460 -1.590 0.000 1.263 939 W HN 0.443 nan 8.180 nan 0.000 0.380 940 I N 5.917 126.573 120.570 0.144 0.000 2.496 940 I HA 0.271 4.440 4.170 -0.001 0.000 0.285 940 I C 1.502 177.615 176.117 -0.005 0.000 1.080 940 I CA 1.062 62.381 61.300 0.033 0.000 1.404 940 I CB 0.681 38.730 38.000 0.082 0.000 1.403 940 I HN 0.783 nan 8.210 nan 0.000 0.539 941 G N 4.356 113.070 108.800 -0.144 0.000 2.143 941 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.248 941 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.248 941 G C 0.417 175.093 174.900 -0.374 0.000 0.991 941 G CA -0.077 44.920 45.100 -0.171 0.000 0.689 941 G HN 1.009 nan 8.290 nan 0.000 0.522 942 A N -0.490 121.852 122.820 -0.797 0.000 2.540 942 A HA 0.550 4.870 4.320 -0.001 0.000 0.239 942 A C 0.584 177.771 177.584 -0.662 0.000 1.061 942 A CA 0.863 52.092 52.037 -1.346 0.000 0.758 942 A CB 0.238 18.077 19.000 -1.936 0.000 0.991 942 A HN 0.660 nan 8.150 nan 0.000 0.502 943 Q N 0.765 120.254 119.800 -0.518 0.000 2.351 943 Q HA 0.531 4.871 4.340 -0.001 0.000 0.273 943 Q C 1.092 176.991 176.000 -0.169 0.000 1.077 943 Q CA -0.245 55.408 55.803 -0.249 0.000 0.843 943 Q CB 1.944 30.600 28.738 -0.136 0.000 1.367 943 Q HN 0.786 nan 8.270 nan 0.000 0.449 944 G N 0.135 108.866 108.800 -0.114 0.000 2.603 944 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.214 944 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.214 944 G C 0.173 175.048 174.900 -0.041 0.000 1.140 944 G CA 0.565 45.610 45.100 -0.092 0.000 0.800 944 G HN 0.441 nan 8.290 nan 0.000 0.533 945 Q N -1.383 118.409 119.800 -0.012 0.000 2.479 945 Q HA 0.512 4.851 4.340 -0.001 0.000 0.276 945 Q C -2.367 173.654 176.000 0.034 0.000 0.989 945 Q CA -0.919 54.890 55.803 0.009 0.000 0.864 945 Q CB 2.104 30.834 28.738 -0.014 0.000 1.444 945 Q HN 0.052 nan 8.270 nan 0.000 0.388 946 F N 1.500 121.359 119.950 -0.153 0.000 2.556 946 F HA 0.659 5.185 4.527 -0.001 0.000 0.314 946 F C 0.590 176.139 175.800 -0.418 0.000 1.106 946 F CA 0.488 58.331 58.000 -0.262 0.000 0.911 946 F CB 2.108 40.964 39.000 -0.241 0.000 1.190 946 F HN 0.688 nan 8.300 nan 0.000 0.448 947 G N 3.016 110.804 108.800 -1.688 0.000 2.141 947 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.242 947 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.242 947 G C 1.025 175.248 174.900 -1.127 0.000 0.982 947 G CA 0.276 44.140 45.100 -2.061 0.000 0.662 947 G HN 1.556 nan 8.290 nan 0.000 0.527 948 G N 1.056 109.486 108.800 -0.616 0.000 2.470 948 G HA2 0.037 3.997 3.960 -0.001 0.000 0.220 948 G HA3 0.037 3.997 3.960 -0.001 0.000 0.220 948 G C 1.215 176.056 174.900 -0.098 0.000 1.121 948 G CA 1.718 46.687 45.100 -0.219 0.000 0.766 948 G HN 0.834 nan 8.290 nan 0.000 0.553 949 D N -0.741 119.516 120.400 -0.238 0.000 2.340 949 D HA 0.017 4.656 4.640 -0.001 0.000 0.217 949 D C 0.286 176.583 176.300 -0.004 0.000 1.081 949 D CA -0.510 53.442 54.000 -0.080 0.000 0.842 949 D CB -0.907 39.852 40.800 -0.069 0.000 0.934 949 D HN 0.450 nan 8.370 nan 0.000 0.511 950 H N 1.244 120.209 119.070 -0.175 0.000 2.848 950 H HA 0.216 4.772 4.556 -0.001 0.000 0.341 950 H C -1.949 173.354 175.328 -0.042 0.000 1.060 950 H CA -1.713 54.258 56.048 -0.129 0.000 1.444 950 H CB 0.561 30.199 29.762 -0.207 0.000 1.446 950 H HN 0.011 nan 8.280 nan 0.000 0.583 951 P HA -0.058 nan 4.420 nan 0.000 0.268 951 P C -0.535 176.840 177.300 0.124 0.000 1.205 951 P CA 0.067 63.234 63.100 0.110 0.000 0.771 951 P CB 0.734 32.475 31.700 0.069 0.000 0.858 952 S N 2.205 118.013 115.700 0.180 0.000 2.464 952 S HA 0.560 5.030 4.470 -0.001 0.000 0.313 952 S C 0.059 174.775 174.600 0.192 0.000 1.078 952 S CA -0.594 57.745 58.200 0.232 0.000 1.096 952 S CB -0.719 62.734 63.200 0.422 0.000 1.032 952 S HN 0.508 nan 8.310 nan 0.000 0.498 953 A N 4.437 127.361 122.820 0.173 0.000 2.366 953 A HA 0.467 4.786 4.320 -0.001 0.000 0.249 953 A C 0.591 178.245 177.584 0.117 0.000 1.084 953 A CA -0.491 51.626 52.037 0.132 0.000 0.794 953 A CB 0.182 19.256 19.000 0.124 0.000 1.034 953 A HN 0.906 nan 8.150 nan 0.000 0.491 954 R N 0.158 120.695 120.500 0.062 0.000 2.619 954 R HA -0.051 4.289 4.340 -0.001 0.000 0.268 954 R C 1.450 177.758 176.300 0.015 0.000 0.990 954 R CA 0.982 57.090 56.100 0.015 0.000 1.092 954 R CB 0.320 30.613 30.300 -0.010 0.000 0.935 954 R HN 0.923 nan 8.270 nan 0.000 0.415 955 E N 1.908 122.075 120.200 -0.055 0.000 2.267 955 E HA -0.242 4.108 4.350 -0.001 0.000 0.197 955 E C 0.343 176.969 176.600 0.044 0.000 0.998 955 E CA 1.582 57.927 56.400 -0.091 0.000 0.830 955 E CB -0.064 29.559 29.700 -0.129 0.000 0.751 955 E HN 0.749 nan 8.360 nan 0.000 0.491 956 D N 0.607 120.995 120.400 -0.019 0.000 2.340 956 D HA -0.012 4.627 4.640 -0.001 0.000 0.220 956 D C 0.359 176.654 176.300 -0.008 0.000 1.039 956 D CA -0.128 53.821 54.000 -0.086 0.000 0.866 956 D CB -0.042 40.648 40.800 -0.183 0.000 0.913 956 D HN 0.165 nan 8.370 nan 0.000 0.523 957 L N 0.998 122.264 121.223 0.070 0.000 2.289 957 L HA 0.479 4.818 4.340 -0.001 0.000 0.285 957 L C -1.003 175.993 176.870 0.210 0.000 1.049 957 L CA -0.367 54.535 54.840 0.105 0.000 0.804 957 L CB 1.488 43.598 42.059 0.085 0.000 1.195 957 L HN -0.211 nan 8.230 nan 0.000 0.428 958 D N 2.512 123.057 120.400 0.242 0.000 2.575 958 D HA 0.366 5.005 4.640 -0.001 0.000 0.236 958 D C -1.256 175.204 176.300 0.268 0.000 1.075 958 D CA -0.271 53.895 54.000 0.277 0.000 0.860 958 D CB 2.396 43.406 40.800 0.349 0.000 1.475 958 D HN 0.224 nan 8.370 nan 0.000 0.474 959 V N 3.446 123.496 119.914 0.227 0.000 2.284 959 V HA 0.122 4.242 4.120 -0.001 0.000 0.260 959 V C 1.282 177.512 176.094 0.227 0.000 1.084 959 V CA -0.016 62.429 62.300 0.242 0.000 0.894 959 V CB 0.473 32.428 31.823 0.221 0.000 1.119 959 V HN 0.582 nan 8.190 nan 0.000 0.484 960 S N 3.121 118.983 115.700 0.271 0.000 2.383 960 S HA -0.003 4.466 4.470 -0.001 0.000 0.227 960 S C 0.657 175.310 174.600 0.088 0.000 1.026 960 S CA 0.823 59.135 58.200 0.187 0.000 0.981 960 S CB 0.183 63.553 63.200 0.283 0.000 0.818 960 S HN 0.499 nan 8.310 nan 0.000 0.472 961 V N 1.543 121.548 119.914 0.152 0.000 2.686 961 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 961 V C -0.791 175.371 176.094 0.114 0.000 1.065 961 V CA -0.540 61.825 62.300 0.109 0.000 0.894 961 V CB 1.869 33.781 31.823 0.148 0.000 1.004 961 V HN 0.362 nan 8.190 nan 0.000 0.424 962 M N 5.679 125.267 119.600 -0.021 0.000 2.142 962 M HA 0.667 5.147 4.480 -0.001 0.000 0.299 962 M C -1.021 175.112 176.300 -0.279 0.000 0.960 962 M CA -0.487 54.668 55.300 -0.242 0.000 0.920 962 M CB 1.369 33.829 32.600 -0.233 0.000 1.541 962 M HN 0.744 nan 8.290 nan 0.000 0.429 963 R N 4.166 124.438 120.500 -0.381 0.000 2.515 963 R HA 0.439 4.779 4.340 -0.001 0.000 0.291 963 R C -1.297 174.777 176.300 -0.377 0.000 1.046 963 R CA -0.693 55.233 56.100 -0.291 0.000 0.914 963 R CB 1.783 31.995 30.300 -0.146 0.000 1.191 963 R HN 0.892 nan 8.270 nan 0.000 0.435 964 R N 4.396 124.729 120.500 -0.278 0.000 2.489 964 R HA 0.105 4.444 4.340 -0.001 0.000 0.287 964 R C 0.189 176.380 176.300 -0.183 0.000 1.053 964 R CA 0.167 56.133 56.100 -0.224 0.000 1.036 964 R CB 0.585 30.810 30.300 -0.125 0.000 0.966 964 R HN 0.708 nan 8.270 nan 0.000 0.432 965 L N 2.969 124.078 121.223 -0.190 0.000 2.616 965 L HA 0.148 4.488 4.340 -0.001 0.000 0.229 965 L C 0.309 177.127 176.870 -0.086 0.000 1.110 965 L CA 0.014 54.761 54.840 -0.156 0.000 0.884 965 L CB 0.530 42.459 42.059 -0.216 0.000 1.115 965 L HN 0.705 nan 8.230 nan 0.000 0.481 966 T N -2.566 111.948 114.554 -0.067 0.000 2.885 966 T HA 0.450 4.799 4.350 -0.001 0.000 0.285 966 T C -0.208 174.485 174.700 -0.013 0.000 1.019 966 T CA -0.912 61.167 62.100 -0.034 0.000 1.010 966 T CB 2.326 71.180 68.868 -0.024 0.000 1.022 966 T HN -0.083 nan 8.240 nan 0.000 0.466 967 K N 0.966 121.365 120.400 -0.003 0.000 2.120 967 K HA 0.294 4.613 4.320 -0.001 0.000 0.245 967 K C 1.617 178.230 176.600 0.022 0.000 1.024 967 K CA -0.201 56.095 56.287 0.015 0.000 0.906 967 K CB 0.439 32.946 32.500 0.012 0.000 1.051 967 K HN 0.804 nan 8.250 nan 0.000 0.491 968 S N -0.681 115.040 115.700 0.035 0.000 2.474 968 S HA -0.133 4.336 4.470 -0.001 0.000 0.235 968 S C 1.713 176.327 174.600 0.023 0.000 0.997 968 S CA 1.296 59.516 58.200 0.033 0.000 0.949 968 S CB -0.334 62.892 63.200 0.044 0.000 0.766 968 S HN 0.617 nan 8.310 nan 0.000 0.517 969 S N 1.509 117.220 115.700 0.020 0.000 2.522 969 S HA 0.427 4.897 4.470 -0.001 0.000 0.227 969 S C 0.838 175.444 174.600 0.010 0.000 0.986 969 S CA 0.063 58.273 58.200 0.016 0.000 0.929 969 S CB -0.588 62.621 63.200 0.015 0.000 0.769 969 S HN 0.757 nan 8.310 nan 0.000 0.529 970 A N 1.960 124.785 122.820 0.007 0.000 2.451 970 A HA 0.371 4.691 4.320 -0.001 0.000 0.266 970 A C 1.262 178.850 177.584 0.008 0.000 1.119 970 A CA -0.375 51.664 52.037 0.003 0.000 0.786 970 A CB 0.194 19.193 19.000 -0.002 0.000 1.061 970 A HN 0.453 nan 8.150 nan 0.000 0.503 971 K N 1.834 122.237 120.400 0.007 0.000 2.032 971 K HA -0.100 4.220 4.320 -0.001 0.000 0.209 971 K C 0.166 176.774 176.600 0.015 0.000 1.048 971 K CA 1.757 58.050 56.287 0.010 0.000 0.927 971 K CB -0.048 32.455 32.500 0.006 0.000 0.712 971 K HN 0.650 nan 8.250 nan 0.000 0.441 972 T N 2.396 116.956 114.554 0.010 0.000 2.753 972 T HA 0.178 4.528 4.350 -0.001 0.000 0.297 972 T C -0.886 173.827 174.700 0.022 0.000 0.981 972 T CA -0.660 61.449 62.100 0.015 0.000 0.956 972 T CB 1.400 70.267 68.868 -0.001 0.000 0.936 972 T HN 0.097 nan 8.240 nan 0.000 0.463 973 Q N 2.862 122.693 119.800 0.051 0.000 2.327 973 Q HA 0.385 4.725 4.340 -0.001 0.000 0.254 973 Q C 0.064 176.118 176.000 0.089 0.000 0.952 973 Q CA 0.102 55.940 55.803 0.058 0.000 0.884 973 Q CB 1.298 30.071 28.738 0.060 0.000 1.224 973 Q HN 0.550 nan 8.270 nan 0.000 0.422 974 R N 0.394 120.912 120.500 0.031 0.000 2.628 974 R HA 0.660 5.000 4.340 -0.001 0.000 0.288 974 R C -1.070 175.184 176.300 -0.077 0.000 0.980 974 R CA -0.675 55.428 56.100 0.006 0.000 0.891 974 R CB 1.842 32.111 30.300 -0.051 0.000 1.188 974 R HN 0.249 nan 8.270 nan 0.000 0.450 975 V N 1.477 121.342 119.914 -0.081 0.000 2.531 975 V HA 0.594 4.714 4.120 -0.001 0.000 0.301 975 V C 0.168 175.994 176.094 -0.448 0.000 1.034 975 V CA -0.860 61.265 62.300 -0.291 0.000 0.865 975 V CB 2.023 33.689 31.823 -0.262 0.000 0.995 975 V HN 0.947 nan 8.190 nan 0.000 0.424 976 G N 3.069 111.401 108.800 -0.780 0.000 2.371 976 G HA2 0.653 4.613 3.960 -0.001 0.000 0.326 976 G HA3 0.653 4.613 3.960 -0.001 0.000 0.326 976 G C -1.600 172.865 174.900 -0.725 0.000 1.127 976 G CA -0.277 44.198 45.100 -1.042 0.000 0.885 976 G HN 0.510 nan 8.290 nan 0.000 0.477 977 Y N 0.515 120.903 120.300 0.147 0.000 2.425 977 Y HA 0.463 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.096 176.074 175.900 0.449 0.000 0.969 977 Y CA -0.902 57.374 58.100 0.293 0.000 1.052 977 Y CB 2.736 41.337 38.460 0.235 0.000 1.215 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.031 125.239 119.914 0.490 0.000 2.370 978 V HA 0.358 4.477 4.120 -0.001 0.000 0.283 978 V C -0.419 175.901 176.094 0.376 0.000 1.023 978 V CA -0.771 61.742 62.300 0.355 0.000 0.857 978 V CB 1.560 33.543 31.823 0.266 0.000 0.985 978 V HN 0.630 nan 8.190 nan 0.000 0.443 979 L N 4.749 126.180 121.223 0.346 0.000 2.305 979 L HA 0.572 4.912 4.340 -0.001 0.000 0.284 979 L C -0.914 176.152 176.870 0.327 0.000 1.013 979 L CA -0.550 54.489 54.840 0.332 0.000 0.819 979 L CB 1.466 43.725 42.059 0.334 0.000 1.227 979 L HN 0.775 nan 8.230 nan 0.000 0.417 980 H N 4.505 123.723 119.070 0.248 0.000 2.529 980 H HA 0.429 4.985 4.556 -0.001 0.000 0.348 980 H C -0.985 174.425 175.328 0.137 0.000 1.079 980 H CA -0.535 55.626 56.048 0.189 0.000 1.198 980 H CB 1.368 31.304 29.762 0.290 0.000 1.521 980 H HN 0.463 nan 8.280 nan 0.000 0.514 981 R N 4.257 124.432 120.500 -0.541 0.000 2.387 981 R HA 0.295 4.634 4.340 -0.001 0.000 0.314 981 R C -0.299 175.574 176.300 -0.712 0.000 0.958 981 R CA -0.464 55.370 56.100 -0.443 0.000 0.846 981 R CB 1.322 31.488 30.300 -0.223 0.000 1.147 981 R HN 0.773 nan 8.270 nan 0.000 0.447 982 T N 1.457 115.744 114.554 -0.446 0.000 2.833 982 T HA 0.184 4.534 4.350 -0.001 0.000 0.292 982 T C -0.519 174.001 174.700 -0.301 0.000 1.031 982 T CA -0.437 61.484 62.100 -0.298 0.000 0.937 982 T CB 0.568 69.348 68.868 -0.146 0.000 1.256 982 T HN 0.677 nan 8.240 nan 0.000 0.551 983 N N 0.529 119.080 118.700 -0.248 0.000 2.461 983 N HA 0.468 5.207 4.740 -0.001 0.000 0.284 983 N C -1.500 173.851 175.510 -0.265 0.000 1.049 983 N CA -0.471 52.378 53.050 -0.336 0.000 0.889 983 N CB 0.666 38.807 38.487 -0.575 0.000 1.365 983 N HN 0.468 nan 8.380 nan 0.000 0.499 984 L N 2.567 123.628 121.223 -0.270 0.000 2.331 984 L HA 0.551 4.890 4.340 -0.001 0.000 0.275 984 L C 0.528 177.271 176.870 -0.212 0.000 1.022 984 L CA -1.055 53.659 54.840 -0.211 0.000 0.812 984 L CB 1.514 43.455 42.059 -0.196 0.000 1.257 984 L HN 0.365 nan 8.230 nan 0.000 0.435 985 M N 2.103 121.599 119.600 -0.174 0.000 2.249 985 M HA 0.053 4.532 4.480 -0.001 0.000 0.340 985 M C -0.183 176.028 176.300 -0.148 0.000 1.166 985 M CA 0.093 55.294 55.300 -0.164 0.000 1.115 985 M CB 0.349 32.856 32.600 -0.155 0.000 1.606 985 M HN 0.465 nan 8.290 nan 0.000 0.448 986 Q N 2.121 121.838 119.800 -0.139 0.000 2.314 986 Q HA 0.203 4.543 4.340 -0.001 0.000 0.257 986 Q C -0.115 175.826 176.000 -0.098 0.000 0.975 986 Q CA 0.106 55.841 55.803 -0.113 0.000 0.933 986 Q CB 0.875 29.550 28.738 -0.106 0.000 1.195 986 Q HN 0.776 nan 8.270 nan 0.000 0.426 987 c N 0.583 119.129 118.600 -0.091 0.000 3.240 987 c HA 0.384 4.954 4.570 -0.001 0.000 0.271 987 c C 1.285 175.335 174.090 -0.068 0.000 1.534 987 c CA 0.053 56.333 56.329 -0.081 0.000 1.796 987 c CB -0.265 42.191 42.510 -0.090 0.000 2.892 987 c HN 1.004 nan 8.230 nan 0.000 0.566 988 G N 1.207 109.969 108.800 -0.064 0.000 2.176 988 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.232 988 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.232 988 G C 0.034 174.901 174.900 -0.053 0.000 0.986 988 G CA 0.314 45.381 45.100 -0.054 0.000 0.643 988 G HN 0.434 nan 8.290 nan 0.000 0.522 989 T N 2.280 116.798 114.554 -0.061 0.000 2.749 989 T HA 0.455 4.804 4.350 -0.001 0.000 0.295 989 T C -0.488 174.174 174.700 -0.064 0.000 0.936 989 T CA -0.362 61.702 62.100 -0.060 0.000 1.060 989 T CB 1.727 70.556 68.868 -0.064 0.000 0.904 989 T HN 0.045 nan 8.240 nan 0.000 0.500 990 P HA -0.084 nan 4.420 nan 0.000 0.218 990 P C 0.102 177.354 177.300 -0.081 0.000 1.148 990 P CA 0.458 63.523 63.100 -0.060 0.000 0.822 990 P CB -0.045 31.626 31.700 -0.047 0.000 0.784 991 E N 0.292 120.435 120.200 -0.095 0.000 0.669 991 E HA -0.211 4.138 4.350 -0.001 0.000 0.361 991 E C 0.337 176.841 176.600 -0.159 0.000 0.875 991 E CA 0.491 56.814 56.400 -0.129 0.000 1.363 991 E CB -0.066 29.568 29.700 -0.110 0.000 0.339 991 E HN 0.347 nan 8.360 nan 0.000 0.363 992 E N 1.196 121.239 120.200 -0.261 0.000 2.698 992 E HA 0.144 4.493 4.350 -0.001 0.000 0.185 992 E C -0.454 175.937 176.600 -0.349 0.000 0.702 992 E CA -0.592 55.652 56.400 -0.260 0.000 1.104 992 E CB -0.212 29.378 29.700 -0.184 0.000 1.831 992 E HN 0.680 nan 8.360 nan 0.000 0.370 993 H N 0.565 119.628 119.070 -0.012 0.000 2.850 993 H HA -0.050 4.505 4.556 -0.001 0.000 0.215 993 H C -0.253 175.081 175.328 0.009 0.000 0.664 993 H CA 0.721 56.767 56.048 -0.004 0.000 1.499 993 H CB -1.388 28.370 29.762 -0.007 0.000 1.358 993 H HN 0.270 nan 8.280 nan 0.000 0.413 994 T N 0.582 115.189 114.554 0.088 0.000 2.888 994 T HA 0.569 4.919 4.350 -0.001 0.000 0.288 994 T C -0.213 174.542 174.700 0.092 0.000 1.063 994 T CA -1.325 60.834 62.100 0.098 0.000 1.010 994 T CB 2.028 70.926 68.868 0.049 0.000 1.214 994 T HN 0.700 nan 8.240 nan 0.000 0.533 995 Q N 0.257 120.114 119.800 0.095 0.000 2.266 995 Q HA 0.447 4.787 4.340 -0.001 0.000 0.261 995 Q C -0.543 175.486 176.000 0.049 0.000 0.985 995 Q CA -0.980 54.865 55.803 0.070 0.000 0.873 995 Q CB 1.947 30.735 28.738 0.082 0.000 1.306 995 Q HN 0.592 nan 8.270 nan 0.000 0.447 996 K N 1.663 122.078 120.400 0.025 0.000 2.451 996 K HA 0.062 4.381 4.320 -0.001 0.000 0.280 996 K C -0.988 175.616 176.600 0.006 0.000 1.020 996 K CA -0.199 56.093 56.287 0.007 0.000 1.008 996 K CB 0.341 32.834 32.500 -0.011 0.000 0.917 996 K HN 0.404 nan 8.250 nan 0.000 0.478 997 L N 4.901 126.125 121.223 0.001 0.000 2.265 997 L HA 0.263 4.603 4.340 -0.001 0.000 0.289 997 L C -1.105 175.730 176.870 -0.059 0.000 1.033 997 L CA -0.064 54.769 54.840 -0.012 0.000 0.814 997 L CB 1.173 43.237 42.059 0.009 0.000 1.203 997 L HN 0.582 nan 8.230 nan 0.000 0.423 998 D N 3.564 123.921 120.400 -0.072 0.000 2.472 998 D HA 0.152 4.791 4.640 -0.001 0.000 0.234 998 D C 1.096 177.294 176.300 -0.169 0.000 1.088 998 D CA -0.290 53.643 54.000 -0.111 0.000 0.882 998 D CB 1.237 42.014 40.800 -0.039 0.000 1.037 998 D HN 0.387 nan 8.370 nan 0.000 0.520 999 V N 1.427 121.144 119.914 -0.328 0.000 2.720 999 V HA -0.173 3.946 4.120 -0.001 0.000 0.256 999 V C 2.052 177.833 176.094 -0.522 0.000 1.082 999 V CA 1.048 62.982 62.300 -0.610 0.000 1.101 999 V CB -1.065 30.123 31.823 -1.058 0.000 0.693 999 V HN 0.607 nan 8.190 nan 0.000 0.479 1000 c N 0.510 118.933 118.600 -0.294 0.000 2.456 1000 c HA 0.066 4.635 4.570 -0.001 0.000 0.279 1000 c C 2.139 176.113 174.090 -0.192 0.000 1.427 1000 c CA 1.064 57.281 56.329 -0.186 0.000 1.778 1000 c CB -1.708 40.677 42.510 -0.208 0.000 1.842 1000 c HN 0.755 nan 8.230 nan 0.000 0.531 1001 H N -0.753 118.289 119.070 -0.046 0.000 2.520 1001 H HA 0.248 4.804 4.556 -0.001 0.000 0.284 1001 H C 1.734 177.089 175.328 0.045 0.000 1.037 1001 H CA 0.027 56.087 56.048 0.020 0.000 1.168 1001 H CB 0.048 29.804 29.762 -0.010 0.000 1.497 1001 H HN 0.354 nan 8.280 nan 0.000 0.547 1002 L N -0.113 121.164 121.223 0.089 0.000 2.201 1002 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 1002 L C 0.138 177.151 176.870 0.238 0.000 1.105 1002 L CA 0.847 55.768 54.840 0.135 0.000 0.775 1002 L CB 0.131 42.239 42.059 0.081 0.000 0.913 1002 L HN 0.208 nan 8.230 nan 0.000 0.440 1003 L N -0.155 121.172 121.223 0.173 0.000 2.334 1003 L HA 0.404 4.744 4.340 -0.001 0.000 0.273 1003 L C -2.101 174.828 176.870 0.099 0.000 1.013 1003 L CA -1.991 52.888 54.840 0.065 0.000 0.816 1003 L CB 1.528 43.416 42.059 -0.286 0.000 1.278 1003 L HN -0.211 nan 8.230 nan 0.000 0.431 1004 P HA 0.131 nan 4.420 nan 0.000 0.274 1004 P C -0.866 176.553 177.300 0.199 0.000 1.246 1004 P CA -0.250 62.925 63.100 0.126 0.000 0.795 1004 P CB 0.415 32.162 31.700 0.079 0.000 1.006 1005 N N -3.002 115.796 118.700 0.162 0.000 2.754 1005 N HA -0.148 4.591 4.740 -0.001 0.000 0.248 1005 N C 0.003 175.597 175.510 0.140 0.000 1.093 1005 N CA 0.005 53.138 53.050 0.138 0.000 0.699 1005 N CB -1.825 36.732 38.487 0.116 0.000 1.016 1005 N HN 0.258 nan 8.380 nan 0.000 0.552 1006 V N 0.129 120.085 119.914 0.070 0.000 2.585 1006 V HA 0.354 4.473 4.120 -0.001 0.000 0.296 1006 V C 1.196 177.192 176.094 -0.163 0.000 1.035 1006 V CA 1.201 63.366 62.300 -0.225 0.000 1.084 1006 V CB 1.149 32.748 31.823 -0.373 0.000 0.953 1006 V HN 0.421 nan 8.190 nan 0.000 0.483 1007 A N 7.102 129.802 122.820 -0.199 0.000 2.192 1007 A HA 0.483 4.803 4.320 -0.001 0.000 0.208 1007 A C 0.963 178.507 177.584 -0.066 0.000 1.220 1007 A CA 0.036 52.018 52.037 -0.091 0.000 0.900 1007 A CB 0.256 19.217 19.000 -0.065 0.000 0.937 1007 A HN 0.772 nan 8.150 nan 0.000 0.487 1008 R N -1.714 118.716 120.500 -0.117 0.000 2.634 1008 R HA 0.464 4.803 4.340 -0.001 0.000 0.263 1008 R C -2.349 173.910 176.300 -0.067 0.000 1.060 1008 R CA -0.350 55.739 56.100 -0.019 0.000 0.898 1008 R CB 1.399 31.716 30.300 0.029 0.000 1.253 1008 R HN 0.280 nan 8.270 nan 0.000 0.461 1009 c N 2.789 121.383 118.600 -0.009 0.000 2.431 1009 c HA 0.612 5.182 4.570 -0.001 0.000 0.321 1009 c C -1.133 173.013 174.090 0.092 0.000 1.202 1009 c CA -0.202 56.126 56.329 -0.002 0.000 1.398 1009 c CB 1.178 43.643 42.510 -0.074 0.000 2.047 1009 c HN 0.907 nan 8.230 nan 0.000 0.465 1010 E N 3.036 123.332 120.200 0.160 0.000 2.248 1010 E HA 0.422 4.772 4.350 -0.001 0.000 0.267 1010 E C -0.890 175.873 176.600 0.272 0.000 0.877 1010 E CA -0.593 55.924 56.400 0.196 0.000 0.759 1010 E CB 1.806 31.601 29.700 0.158 0.000 1.182 1010 E HN 0.625 nan 8.360 nan 0.000 0.418 1011 R N 1.697 122.341 120.500 0.239 0.000 2.340 1011 R HA 0.275 4.614 4.340 -0.001 0.000 0.300 1011 R C -0.430 175.904 176.300 0.057 0.000 1.069 1011 R CA 0.143 56.315 56.100 0.120 0.000 0.984 1011 R CB 0.583 30.927 30.300 0.072 0.000 1.003 1011 R HN 0.691 nan 8.270 nan 0.000 0.459 1012 T N -0.203 114.362 114.554 0.017 0.000 2.907 1012 T HA 0.346 4.695 4.350 -0.001 0.000 0.290 1012 T C 0.188 174.873 174.700 -0.026 0.000 1.066 1012 T CA -0.792 61.336 62.100 0.047 0.000 1.012 1012 T CB 1.423 70.390 68.868 0.165 0.000 1.184 1012 T HN 0.606 nan 8.240 nan 0.000 0.522 1013 T N 0.211 114.753 114.554 -0.020 0.000 2.791 1013 T HA 0.188 4.538 4.350 -0.001 0.000 0.323 1013 T C 1.620 176.238 174.700 -0.137 0.000 1.082 1013 T CA -0.674 61.390 62.100 -0.060 0.000 1.084 1013 T CB -0.065 68.785 68.868 -0.030 0.000 0.992 1013 T HN 0.563 nan 8.240 nan 0.000 0.547 1014 L N 1.051 122.175 121.223 -0.165 0.000 2.275 1014 L HA -0.043 4.297 4.340 -0.001 0.000 0.215 1014 L C 2.866 179.435 176.870 -0.502 0.000 1.119 1014 L CA 1.468 56.141 54.840 -0.278 0.000 0.790 1014 L CB -1.061 40.919 42.059 -0.131 0.000 0.919 1014 L HN 0.981 nan 8.230 nan 0.000 0.443 1015 T N -4.828 109.543 114.554 -0.306 0.000 3.129 1015 T HA 0.002 4.352 4.350 -0.001 0.000 0.251 1015 T C 0.765 175.360 174.700 -0.176 0.000 1.117 1015 T CA -0.178 61.774 62.100 -0.247 0.000 1.034 1015 T CB -0.146 68.704 68.868 -0.031 0.000 0.968 1015 T HN 0.216 nan 8.240 nan 0.000 0.526 1016 F N -0.939 119.024 119.950 0.021 0.000 2.794 1016 F HA -0.198 4.328 4.527 -0.001 0.000 0.335 1016 F C 1.053 176.854 175.800 0.003 0.000 0.653 1016 F CA -0.015 57.991 58.000 0.010 0.000 1.266 1016 F CB -2.278 36.724 39.000 0.003 0.000 1.666 1016 F HN 0.239 nan 8.300 nan 0.000 0.314 1017 L N -0.875 120.424 121.223 0.128 0.000 2.509 1017 L HA 0.080 4.419 4.340 -0.001 0.000 0.222 1017 L C 1.112 178.007 176.870 0.043 0.000 1.123 1017 L CA 0.936 55.822 54.840 0.076 0.000 0.856 1017 L CB 0.097 42.183 42.059 0.045 0.000 0.985 1017 L HN 0.322 nan 8.230 nan 0.000 0.456 1018 Q N 0.528 120.353 119.800 0.041 0.000 2.323 1018 Q HA 0.266 4.606 4.340 -0.001 0.000 0.271 1018 Q C -1.167 174.854 176.000 0.036 0.000 1.048 1018 Q CA -0.703 55.113 55.803 0.021 0.000 0.792 1018 Q CB 1.868 30.604 28.738 -0.004 0.000 1.280 1018 Q HN 0.092 nan 8.270 nan 0.000 0.441 1019 N N 4.361 123.081 118.700 0.034 0.000 2.470 1019 N HA 0.171 4.911 4.740 -0.001 0.000 0.268 1019 N C 0.328 175.859 175.510 0.035 0.000 1.136 1019 N CA 0.242 53.320 53.050 0.047 0.000 0.961 1019 N CB 1.031 39.545 38.487 0.045 0.000 1.067 1019 N HN 0.628 nan 8.380 nan 0.000 0.468 1020 L N 0.496 121.744 121.223 0.041 0.000 2.575 1020 L HA 0.308 4.648 4.340 -0.001 0.000 0.228 1020 L C 0.591 177.489 176.870 0.047 0.000 1.075 1020 L CA 0.340 55.197 54.840 0.028 0.000 0.867 1020 L CB 0.348 42.411 42.059 0.008 0.000 1.097 1020 L HN 0.523 nan 8.230 nan 0.000 0.485 1021 E N -0.198 120.049 120.200 0.078 0.000 2.347 1021 E HA 0.113 4.462 4.350 -0.001 0.000 0.285 1021 E C -1.360 175.330 176.600 0.150 0.000 0.925 1021 E CA -0.547 55.912 56.400 0.099 0.000 0.779 1021 E CB 1.481 31.231 29.700 0.083 0.000 1.233 1021 E HN 0.086 nan 8.360 nan 0.000 0.414 1022 H N 6.161 125.256 119.070 0.042 0.000 2.562 1022 H HA 0.339 4.895 4.556 -0.001 0.000 0.314 1022 H C -0.945 174.407 175.328 0.040 0.000 1.079 1022 H CA -0.435 55.635 56.048 0.037 0.000 1.349 1022 H CB 0.728 30.502 29.762 0.020 0.000 1.432 1022 H HN 0.402 nan 8.280 nan 0.000 0.479 1023 L N 5.258 126.304 121.223 -0.296 0.000 2.282 1023 L HA 0.133 4.473 4.340 -0.001 0.000 0.288 1023 L C 0.191 176.878 176.870 -0.305 0.000 1.033 1023 L CA -0.884 53.833 54.840 -0.205 0.000 0.807 1023 L CB 1.315 43.334 42.059 -0.066 0.000 1.209 1023 L HN 0.636 nan 8.230 nan 0.000 0.423 1024 D N 2.670 122.956 120.400 -0.190 0.000 2.458 1024 D HA 0.148 4.788 4.640 -0.001 0.000 0.243 1024 D C 1.149 177.396 176.300 -0.089 0.000 1.146 1024 D CA 1.267 55.184 54.000 -0.139 0.000 0.877 1024 D CB 1.353 42.109 40.800 -0.073 0.000 1.176 1024 D HN 0.849 nan 8.370 nan 0.000 0.461 1025 G N 2.947 111.709 108.800 -0.063 0.000 2.168 1025 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.263 1025 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.263 1025 G C 0.805 175.731 174.900 0.045 0.000 0.977 1025 G CA 0.407 45.503 45.100 -0.007 0.000 0.659 1025 G HN 0.633 nan 8.290 nan 0.000 0.533 1026 M N -2.386 117.196 119.600 -0.029 0.000 2.576 1026 M HA -0.189 4.290 4.480 -0.001 0.000 0.200 1026 M C 0.113 176.420 176.300 0.012 0.000 0.487 1026 M CA 0.912 56.183 55.300 -0.048 0.000 0.553 1026 M CB -1.735 30.815 32.600 -0.083 0.000 2.042 1026 M HN 0.238 nan 8.290 nan 0.000 0.758 1027 V N 0.786 120.703 119.914 0.004 0.000 2.398 1027 V HA 0.718 4.838 4.120 -0.001 0.000 0.286 1027 V C 0.632 176.642 176.094 -0.141 0.000 1.026 1027 V CA -0.338 61.959 62.300 -0.005 0.000 0.868 1027 V CB 1.743 33.558 31.823 -0.014 0.000 0.982 1027 V HN 0.381 nan 8.190 nan 0.000 0.443 1028 A N 8.189 130.843 122.820 -0.277 0.000 2.310 1028 A HA 0.736 5.056 4.320 -0.001 0.000 0.300 1028 A C -2.368 174.945 177.584 -0.452 0.000 1.269 1028 A CA -1.410 50.235 52.037 -0.653 0.000 0.909 1028 A CB 0.050 18.374 19.000 -1.125 0.000 1.144 1028 A HN 0.621 nan 8.150 nan 0.000 0.540 1029 P HA 0.192 nan 4.420 nan 0.000 0.272 1029 P C -0.161 177.125 177.300 -0.024 0.000 1.223 1029 P CA -0.169 62.882 63.100 -0.082 0.000 0.784 1029 P CB 0.569 32.280 31.700 0.019 0.000 0.923 1030 E N -0.192 120.010 120.200 0.004 0.000 2.392 1030 E HA 0.257 4.606 4.350 -0.001 0.000 0.256 1030 E C 0.095 176.746 176.600 0.085 0.000 1.145 1030 E CA -0.840 55.591 56.400 0.051 0.000 0.929 1030 E CB 0.470 30.182 29.700 0.021 0.000 0.998 1030 E HN 0.298 nan 8.360 nan 0.000 0.442 1031 V N -1.299 118.669 119.914 0.090 0.000 2.973 1031 V HA 0.336 4.456 4.120 -0.001 0.000 0.314 1031 V C 0.157 176.253 176.094 0.004 0.000 1.066 1031 V CA -1.102 61.237 62.300 0.066 0.000 1.021 1031 V CB 1.236 33.104 31.823 0.074 0.000 1.076 1031 V HN 0.746 nan 8.190 nan 0.000 0.462 1032 c N 2.743 121.340 118.600 -0.006 0.000 2.595 1032 c HA 0.423 4.992 4.570 -0.001 0.000 0.384 1032 c C -2.046 171.987 174.090 -0.095 0.000 1.289 1032 c CA -0.280 56.027 56.329 -0.037 0.000 2.372 1032 c CB -0.046 42.459 42.510 -0.009 0.000 2.593 1032 c HN 0.824 nan 8.230 nan 0.000 0.639 1033 P HA 0.043 nan 4.420 nan 0.000 0.262 1033 P C 0.289 177.431 177.300 -0.262 0.000 1.182 1033 P CA 0.966 63.927 63.100 -0.231 0.000 0.761 1033 P CB 0.187 31.731 31.700 -0.259 0.000 0.795 1034 M N -1.083 118.308 119.600 -0.348 0.000 2.961 1034 M HA -0.169 4.310 4.480 -0.001 0.000 0.198 1034 M C -0.115 176.172 176.300 -0.022 0.000 0.610 1034 M CA 1.338 56.410 55.300 -0.381 0.000 0.755 1034 M CB -1.979 30.077 32.600 -0.907 0.000 2.707 1034 M HN 0.403 nan 8.290 nan 0.000 0.299 1035 E N 0.504 120.693 120.200 -0.018 0.000 2.250 1035 E HA 0.716 5.066 4.350 -0.001 0.000 0.269 1035 E C 0.045 176.711 176.600 0.111 0.000 1.018 1035 E CA -0.052 56.417 56.400 0.116 0.000 0.873 1035 E CB 1.407 31.141 29.700 0.057 0.000 1.134 1035 E HN 0.149 nan 8.360 nan 0.000 0.403 1036 T N 0.542 115.180 114.554 0.139 0.000 2.921 1036 T HA 0.666 5.015 4.350 -0.001 0.000 0.297 1036 T C -0.917 173.791 174.700 0.013 0.000 1.013 1036 T CA -0.647 61.540 62.100 0.145 0.000 0.990 1036 T CB 1.592 70.558 68.868 0.163 0.000 1.023 1036 T HN 0.512 nan 8.240 nan 0.000 0.447 1037 A N 1.948 124.775 122.820 0.012 0.000 2.469 1037 A HA 1.005 5.324 4.320 -0.001 0.000 0.299 1037 A C -0.950 176.520 177.584 -0.191 0.000 1.098 1037 A CA -0.925 51.018 52.037 -0.157 0.000 0.737 1037 A CB 1.525 20.378 19.000 -0.245 0.000 1.312 1037 A HN 1.111 nan 8.150 nan 0.000 0.414 1038 A N 0.274 122.894 122.820 -0.334 0.000 2.365 1038 A HA 0.824 5.144 4.320 -0.001 0.000 0.318 1038 A C -1.577 175.822 177.584 -0.309 0.000 1.091 1038 A CA -0.349 51.602 52.037 -0.142 0.000 0.763 1038 A CB 0.741 19.690 19.000 -0.086 0.000 1.248 1038 A HN 0.840 nan 8.150 nan 0.000 0.442 1039 Y N 0.027 120.544 120.300 0.362 0.000 2.512 1039 Y HA 0.580 5.129 4.550 -0.001 0.000 0.348 1039 Y C -0.265 175.812 175.900 0.296 0.000 0.990 1039 Y CA -0.922 57.344 58.100 0.276 0.000 1.033 1039 Y CB 2.480 41.059 38.460 0.198 0.000 1.259 1039 Y HN 0.412 nan 8.280 nan 0.000 0.461 1040 V N 2.318 122.437 119.914 0.342 0.000 2.444 1040 V HA 0.490 4.610 4.120 -0.001 0.000 0.294 1040 V C -0.641 175.539 176.094 0.142 0.000 1.022 1040 V CA -0.941 61.455 62.300 0.158 0.000 0.850 1040 V CB 1.741 33.592 31.823 0.048 0.000 0.992 1040 V HN 0.829 nan 8.190 nan 0.000 0.426 1041 S N 3.479 119.269 115.700 0.149 0.000 2.508 1041 S HA 0.713 5.182 4.470 -0.001 0.000 0.284 1041 S C -0.213 174.319 174.600 -0.113 0.000 1.192 1041 S CA -0.571 57.640 58.200 0.018 0.000 1.070 1041 S CB 1.589 64.874 63.200 0.142 0.000 1.004 1041 S HN 0.559 nan 8.310 nan 0.000 0.493 1042 S N 2.429 117.939 115.700 -0.316 0.000 2.501 1042 S HA 0.544 5.013 4.470 -0.001 0.000 0.301 1042 S C -0.891 173.395 174.600 -0.524 0.000 1.096 1042 S CA -0.757 57.293 58.200 -0.250 0.000 1.063 1042 S CB 0.515 63.647 63.200 -0.114 0.000 1.042 1042 S HN 0.797 nan 8.310 nan 0.000 0.494 1043 H N 0.788 119.849 119.070 -0.015 0.000 2.759 1043 H HA 0.417 4.972 4.556 -0.001 0.000 0.354 1043 H C -0.376 174.948 175.328 -0.007 0.000 1.074 1043 H CA -0.615 55.426 56.048 -0.011 0.000 1.226 1043 H CB 1.828 31.585 29.762 -0.009 0.000 1.648 1043 H HN 0.665 nan 8.280 nan 0.000 0.529 1044 S N 0.000 115.753 115.700 0.088 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.231 58.200 0.052 0.000 1.107 1044 S CB 0.000 63.217 63.200 0.028 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517