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 3bvt_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 VSSHSS 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 0.013 0.000 1.003 30 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 30 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 31 c N 2.729 121.333 118.600 0.006 0.000 2.536 31 c HA 0.283 4.852 4.570 -0.001 0.000 0.396 31 c C 0.737 174.839 174.090 0.019 0.000 1.279 31 c CA -0.393 55.942 56.329 0.009 0.000 2.148 31 c CB 0.873 43.375 42.510 -0.013 0.000 2.584 31 c HN 0.681 nan 8.230 nan 0.000 0.579 32 Q N 1.737 121.564 119.800 0.045 0.000 2.361 32 Q HA 0.029 4.368 4.340 -0.001 0.000 0.276 32 Q C -0.036 175.994 176.000 0.050 0.000 1.022 32 Q CA 0.543 56.388 55.803 0.071 0.000 0.898 32 Q CB 0.523 29.340 28.738 0.132 0.000 1.246 32 Q HN 0.638 nan 8.270 nan 0.000 0.410 33 D N 1.845 122.276 120.400 0.052 0.000 2.316 33 D HA 0.065 4.705 4.640 -0.001 0.000 0.245 33 D C 0.501 176.845 176.300 0.073 0.000 1.171 33 D CA -0.203 53.810 54.000 0.020 0.000 0.856 33 D CB 1.265 42.076 40.800 0.019 0.000 1.090 33 D HN 0.379 nan 8.370 nan 0.000 0.476 34 V N 2.172 122.081 119.914 -0.008 0.000 3.647 34 V HA 0.087 4.207 4.120 -0.001 0.000 0.279 34 V C 1.108 177.241 176.094 0.065 0.000 1.314 34 V CA 0.101 62.449 62.300 0.080 0.000 1.125 34 V CB 0.219 31.919 31.823 -0.204 0.000 0.907 34 V HN 0.391 nan 8.190 nan 0.000 0.434 35 V N -0.104 119.769 119.914 -0.069 0.000 3.013 35 V HA 0.111 4.231 4.120 -0.001 0.000 0.238 35 V C 2.259 178.331 176.094 -0.037 0.000 1.161 35 V CA 1.167 63.380 62.300 -0.146 0.000 1.170 35 V CB 0.090 31.775 31.823 -0.231 0.000 0.917 35 V HN 0.478 nan 8.190 nan 0.000 0.478 36 Q N -0.313 119.514 119.800 0.045 0.000 2.352 36 Q HA 0.138 4.477 4.340 -0.001 0.000 0.212 36 Q C -0.495 175.585 176.000 0.133 0.000 0.888 36 Q CA 0.262 56.107 55.803 0.071 0.000 0.934 36 Q CB 0.678 29.432 28.738 0.026 0.000 1.093 36 Q HN 0.500 nan 8.270 nan 0.000 0.523 37 D N 1.260 121.772 120.400 0.186 0.000 2.414 37 D HA 0.181 4.821 4.640 -0.001 0.000 0.232 37 D C -0.700 175.715 176.300 0.192 0.000 1.070 37 D CA -0.259 53.837 54.000 0.160 0.000 0.839 37 D CB 2.217 43.090 40.800 0.120 0.000 1.079 37 D HN -0.173 nan 8.370 nan 0.000 0.521 38 V N 4.454 124.447 119.914 0.133 0.000 2.439 38 V HA 0.142 4.262 4.120 -0.001 0.000 0.271 38 V C -1.838 174.237 176.094 -0.031 0.000 1.040 38 V CA -1.165 61.138 62.300 0.005 0.000 1.002 38 V CB 0.446 32.277 31.823 0.013 0.000 1.000 38 V HN 0.310 nan 8.190 nan 0.000 0.477 39 P HA 0.085 nan 4.420 nan 0.000 0.268 39 P C -0.426 176.847 177.300 -0.045 0.000 1.205 39 P CA -0.120 62.951 63.100 -0.048 0.000 0.771 39 P CB 0.335 31.987 31.700 -0.080 0.000 0.858 40 N N 2.764 121.452 118.700 -0.020 0.000 2.462 40 N HA 0.326 5.066 4.740 -0.001 0.000 0.242 40 N C -1.077 174.424 175.510 -0.014 0.000 1.010 40 N CA -0.438 52.603 53.050 -0.016 0.000 0.939 40 N CB 0.118 38.604 38.487 -0.001 0.000 1.127 40 N HN 0.121 nan 8.380 nan 0.000 0.509 41 V N 0.533 120.431 119.914 -0.026 0.000 2.914 41 V HA 0.533 4.653 4.120 -0.001 0.000 0.314 41 V C 0.596 176.675 176.094 -0.025 0.000 1.084 41 V CA -0.745 61.542 62.300 -0.022 0.000 0.963 41 V CB 2.050 33.849 31.823 -0.041 0.000 1.025 41 V HN 0.402 nan 8.190 nan 0.000 0.432 42 D N 1.227 121.620 120.400 -0.012 0.000 2.144 42 D HA -0.000 4.639 4.640 -0.001 0.000 0.200 42 D C 0.540 176.809 176.300 -0.051 0.000 0.978 42 D CA 1.639 55.628 54.000 -0.017 0.000 0.833 42 D CB 0.386 41.191 40.800 0.010 0.000 0.961 42 D HN 0.434 nan 8.370 nan 0.000 0.470 43 V N 1.441 121.303 119.914 -0.087 0.000 2.483 43 V HA 0.216 4.336 4.120 -0.001 0.000 0.297 43 V C -0.350 175.648 176.094 -0.161 0.000 1.027 43 V CA -0.748 61.471 62.300 -0.136 0.000 0.855 43 V CB 2.383 34.082 31.823 -0.206 0.000 0.995 43 V HN -0.075 nan 8.190 nan 0.000 0.424 44 Q N 4.565 124.282 119.800 -0.138 0.000 2.327 44 Q HA 0.442 4.781 4.340 -0.001 0.000 0.270 44 Q C 0.392 176.294 176.000 -0.163 0.000 1.022 44 Q CA -0.686 55.026 55.803 -0.151 0.000 0.773 44 Q CB 1.916 30.588 28.738 -0.111 0.000 1.251 44 Q HN 0.675 nan 8.270 nan 0.000 0.457 45 M N 3.040 122.496 119.600 -0.241 0.000 2.213 45 M HA -0.156 4.324 4.480 -0.001 0.000 0.263 45 M C 1.605 177.803 176.300 -0.170 0.000 1.062 45 M CA 0.952 56.096 55.300 -0.260 0.000 1.105 45 M CB -0.767 31.543 32.600 -0.484 0.000 1.385 45 M HN 0.568 nan 8.290 nan 0.000 0.417 46 L N 0.729 121.844 121.223 -0.180 0.000 2.046 46 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 46 L C 2.490 179.353 176.870 -0.012 0.000 1.077 46 L CA 1.829 56.596 54.840 -0.122 0.000 0.747 46 L CB -0.657 41.307 42.059 -0.158 0.000 0.896 46 L HN 0.268 nan 8.230 nan 0.000 0.432 47 E N -0.454 119.726 120.200 -0.035 0.000 2.072 47 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 47 E C 2.200 178.812 176.600 0.020 0.000 0.985 47 E CA 1.338 57.732 56.400 -0.011 0.000 0.801 47 E CB -0.270 29.409 29.700 -0.035 0.000 0.750 47 E HN 0.431 nan 8.360 nan 0.000 0.452 48 L N 0.499 121.733 121.223 0.018 0.000 2.012 48 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 48 L C 2.282 179.221 176.870 0.115 0.000 1.073 48 L CA 1.686 56.546 54.840 0.032 0.000 0.748 48 L CB -1.022 41.044 42.059 0.012 0.000 0.891 48 L HN 0.128 nan 8.230 nan 0.000 0.431 49 Y N -0.026 120.277 120.300 0.006 0.000 2.207 49 Y HA -0.280 4.269 4.550 -0.001 0.000 0.287 49 Y C 2.577 178.571 175.900 0.156 0.000 1.156 49 Y CA 1.872 60.065 58.100 0.154 0.000 1.182 49 Y CB -0.648 37.900 38.460 0.146 0.000 0.979 49 Y HN 0.368 nan 8.280 nan 0.000 0.521 50 D N -0.610 119.903 120.400 0.189 0.000 2.144 50 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 50 D C 2.080 178.421 176.300 0.070 0.000 0.978 50 D CA 1.207 55.272 54.000 0.107 0.000 0.833 50 D CB 0.036 40.873 40.800 0.062 0.000 0.961 50 D HN 0.237 nan 8.370 nan 0.000 0.470 51 R N -1.043 119.481 120.500 0.039 0.000 2.100 51 R HA 0.178 4.517 4.340 -0.001 0.000 0.220 51 R C 0.818 177.098 176.300 -0.034 0.000 1.091 51 R CA 0.108 56.206 56.100 -0.003 0.000 0.986 51 R CB 0.040 30.323 30.300 -0.028 0.000 0.888 51 R HN 0.211 nan 8.270 nan 0.000 0.444 52 M N 0.590 120.139 119.600 -0.085 0.000 2.248 52 M HA -0.049 4.430 4.480 -0.001 0.000 0.337 52 M C 1.421 177.665 176.300 -0.092 0.000 1.121 52 M CA 0.259 55.412 55.300 -0.245 0.000 1.155 52 M CB 1.313 33.483 32.600 -0.716 0.000 1.514 52 M HN 0.062 nan 8.290 nan 0.000 0.452 53 S N 1.337 116.969 115.700 -0.114 0.000 2.503 53 S HA 0.079 4.548 4.470 -0.001 0.000 0.217 53 S C 0.660 175.362 174.600 0.169 0.000 0.999 53 S CA -0.186 58.038 58.200 0.041 0.000 0.914 53 S CB -0.214 62.988 63.200 0.002 0.000 0.782 53 S HN 0.764 nan 8.310 nan 0.000 0.520 54 F N 0.813 120.695 119.950 -0.113 0.000 3.084 54 F HA -0.147 4.380 4.527 -0.001 0.000 0.286 54 F C 0.196 176.011 175.800 0.025 0.000 0.855 54 F CA 0.392 58.333 58.000 -0.098 0.000 1.091 54 F CB -1.896 37.022 39.000 -0.136 0.000 1.177 54 F HN 0.114 nan 8.300 nan 0.000 0.542 55 K N 1.097 121.577 120.400 0.133 0.000 2.350 55 K HA 0.167 4.487 4.320 -0.001 0.000 0.279 55 K C 0.259 176.972 176.600 0.188 0.000 1.027 55 K CA -0.127 56.243 56.287 0.138 0.000 0.969 55 K CB 0.605 33.147 32.500 0.071 0.000 0.954 55 K HN 0.096 nan 8.250 nan 0.000 0.474 56 D N 3.382 123.902 120.400 0.199 0.000 2.540 56 D HA 0.188 4.828 4.640 -0.001 0.000 0.251 56 D C -0.365 175.980 176.300 0.075 0.000 1.159 56 D CA -0.538 53.585 54.000 0.204 0.000 0.974 56 D CB -0.565 40.369 40.800 0.223 0.000 0.996 56 D HN 0.465 nan 8.370 nan 0.000 0.512 57 I N -1.339 119.262 120.570 0.053 0.000 2.498 57 I HA 0.496 4.666 4.170 -0.001 0.000 0.301 57 I C 0.133 176.241 176.117 -0.016 0.000 0.984 57 I CA -1.014 60.295 61.300 0.015 0.000 1.204 57 I CB 1.435 39.444 38.000 0.015 0.000 1.362 57 I HN -0.130 nan 8.210 nan 0.000 0.471 58 D N 4.272 124.661 120.400 -0.018 0.000 2.349 58 D HA 0.132 4.772 4.640 -0.001 0.000 0.266 58 D C 1.060 177.349 176.300 -0.019 0.000 1.293 58 D CA 0.192 54.176 54.000 -0.026 0.000 0.926 58 D CB 1.326 42.118 40.800 -0.014 0.000 1.090 58 D HN 0.839 nan 8.370 nan 0.000 0.502 59 G N 2.469 111.242 108.800 -0.044 0.000 3.088 59 G HA2 0.417 4.377 3.960 -0.001 0.000 0.212 59 G HA3 0.417 4.377 3.960 -0.001 0.000 0.212 59 G C 0.901 175.807 174.900 0.010 0.000 1.173 59 G CA 0.363 45.442 45.100 -0.035 0.000 0.779 59 G HN 0.909 nan 8.290 nan 0.000 0.540 60 G N -0.636 108.173 108.800 0.016 0.000 2.445 60 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.212 60 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.212 60 G C 1.194 176.119 174.900 0.042 0.000 1.217 60 G CA 0.687 45.807 45.100 0.035 0.000 1.002 60 G HN 1.114 nan 8.290 nan 0.000 0.574 61 V N -3.538 116.399 119.914 0.038 0.000 2.392 61 V HA 0.046 4.165 4.120 -0.001 0.000 0.249 61 V C 1.490 177.615 176.094 0.051 0.000 1.059 61 V CA 2.468 64.772 62.300 0.007 0.000 1.051 61 V CB -0.603 31.188 31.823 -0.052 0.000 0.658 61 V HN 1.458 nan 8.190 nan 0.000 0.455 62 W N 2.651 123.862 121.300 -0.148 0.000 2.365 62 W HA 0.427 5.086 4.660 -0.001 0.000 0.371 62 W C 1.151 177.637 176.519 -0.056 0.000 1.006 62 W CA -1.728 55.525 57.345 -0.153 0.000 1.528 62 W CB 0.172 29.509 29.460 -0.206 0.000 1.497 62 W HN 0.067 nan 8.180 nan 0.000 0.367 63 K N 2.704 123.203 120.400 0.165 0.000 2.147 63 K HA -0.169 4.150 4.320 -0.001 0.000 0.205 63 K C 0.856 177.385 176.600 -0.118 0.000 1.049 63 K CA 1.439 57.726 56.287 0.000 0.000 0.936 63 K CB 0.138 32.631 32.500 -0.011 0.000 0.722 63 K HN 0.569 nan 8.250 nan 0.000 0.446 64 Q N -0.697 118.995 119.800 -0.180 0.000 2.188 64 Q HA 0.167 4.507 4.340 -0.001 0.000 0.212 64 Q C 0.794 176.449 176.000 -0.576 0.000 0.846 64 Q CA -0.319 55.351 55.803 -0.221 0.000 0.989 64 Q CB 1.306 30.044 28.738 0.000 0.000 1.114 64 Q HN 0.214 nan 8.270 nan 0.000 0.488 65 G N 0.617 108.649 108.800 -1.280 0.000 3.407 65 G HA2 0.529 4.488 3.960 -0.001 0.000 0.187 65 G HA3 0.529 4.488 3.960 -0.001 0.000 0.187 65 G C -1.427 173.163 174.900 -0.517 0.000 1.262 65 G CA -0.344 43.702 45.100 -1.756 0.000 0.808 65 G HN 0.352 nan 8.290 nan 0.000 0.687 66 W N -1.357 119.658 121.300 -0.474 0.000 2.988 66 W HA 0.640 5.299 4.660 -0.000 0.000 0.355 66 W C -1.442 175.168 176.519 0.151 0.000 1.233 66 W CA -1.179 56.115 57.345 -0.084 0.000 1.176 66 W CB 0.677 30.102 29.460 -0.059 0.000 1.477 66 W HN 0.181 nan 8.180 nan 0.000 0.582 67 N N 2.149 121.005 118.700 0.259 0.000 2.402 67 N HA 0.220 4.959 4.740 -0.001 0.000 0.259 67 N C -0.315 175.335 175.510 0.234 0.000 1.167 67 N CA 0.019 53.175 53.050 0.176 0.000 0.949 67 N CB 0.332 38.921 38.487 0.170 0.000 1.212 67 N HN 0.405 nan 8.380 nan 0.000 0.493 68 I N 2.007 122.619 120.570 0.071 0.000 2.588 68 I HA 0.024 4.194 4.170 -0.001 0.000 0.283 68 I C 0.772 177.051 176.117 0.270 0.000 1.119 68 I CA 0.255 61.667 61.300 0.186 0.000 1.419 68 I CB 0.502 38.551 38.000 0.082 0.000 1.394 68 I HN 0.118 nan 8.210 nan 0.000 0.562 69 K N 6.046 126.642 120.400 0.326 0.000 2.259 69 K HA 0.573 4.892 4.320 -0.001 0.000 0.249 69 K C -1.335 175.440 176.600 0.291 0.000 0.942 69 K CA -0.678 55.739 56.287 0.217 0.000 0.816 69 K CB 2.169 34.757 32.500 0.147 0.000 1.155 69 K HN 0.467 nan 8.250 nan 0.000 0.428 70 Y N -1.836 118.557 120.300 0.155 0.000 2.553 70 Y HA 0.424 4.973 4.550 -0.001 0.000 0.347 70 Y C -0.904 175.070 175.900 0.125 0.000 1.019 70 Y CA -1.611 56.583 58.100 0.155 0.000 1.032 70 Y CB 1.110 39.690 38.460 0.200 0.000 1.284 70 Y HN 0.396 nan 8.280 nan 0.000 0.466 71 D N 4.238 124.765 120.400 0.212 0.000 2.336 71 D HA 0.230 4.870 4.640 -0.001 0.000 0.249 71 D C -1.637 174.803 176.300 0.233 0.000 1.213 71 D CA -2.587 51.483 54.000 0.118 0.000 0.870 71 D CB 1.446 42.294 40.800 0.080 0.000 1.076 71 D HN 0.441 nan 8.370 nan 0.000 0.483 72 P HA -0.116 nan 4.420 nan 0.000 0.221 72 P C 1.363 178.814 177.300 0.252 0.000 1.145 72 P CA 0.699 63.989 63.100 0.316 0.000 0.795 72 P CB 0.338 32.147 31.700 0.181 0.000 0.775 73 L N -0.693 120.616 121.223 0.143 0.000 2.599 73 L HA 0.093 4.432 4.340 -0.001 0.000 0.230 73 L C 2.607 179.505 176.870 0.046 0.000 1.141 73 L CA 0.362 55.261 54.840 0.098 0.000 0.877 73 L CB -0.633 41.463 42.059 0.062 0.000 1.009 73 L HN -0.034 nan 8.230 nan 0.000 0.447 74 K N 0.493 120.880 120.400 -0.022 0.000 2.103 74 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 74 K C -0.065 176.344 176.600 -0.319 0.000 1.048 74 K CA 1.144 57.287 56.287 -0.240 0.000 0.930 74 K CB 0.087 32.318 32.500 -0.449 0.000 0.716 74 K HN 0.090 nan 8.250 nan 0.000 0.444 75 Y N 0.654 121.074 120.300 0.200 0.000 2.387 75 Y HA 0.268 4.818 4.550 -0.000 0.000 0.330 75 Y C 0.132 176.111 175.900 0.131 0.000 1.133 75 Y CA -1.007 57.199 58.100 0.176 0.000 1.152 75 Y CB 1.291 39.815 38.460 0.106 0.000 1.215 75 Y HN 0.258 nan 8.280 nan 0.000 0.466 76 N N -1.035 117.818 118.700 0.255 0.000 3.308 76 N HA 0.480 5.220 4.740 -0.001 0.000 0.276 76 N C -0.045 175.478 175.510 0.022 0.000 1.533 76 N CA -0.423 52.697 53.050 0.115 0.000 0.878 76 N CB 0.334 38.874 38.487 0.088 0.000 1.566 76 N HN 0.500 nan 8.380 nan 0.000 0.546 77 A N -1.175 121.555 122.820 -0.149 0.000 1.986 77 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 77 A C 0.967 178.406 177.584 -0.242 0.000 1.171 77 A CA 1.466 53.346 52.037 -0.262 0.000 0.640 77 A CB -1.102 17.645 19.000 -0.422 0.000 0.811 77 A HN 0.695 nan 8.150 nan 0.000 0.451 78 H N -2.913 116.215 119.070 0.097 0.000 2.553 78 H HA 0.147 4.703 4.556 -0.001 0.000 0.265 78 H C -0.242 175.189 175.328 0.171 0.000 0.964 78 H CA 0.873 56.981 56.048 0.102 0.000 1.156 78 H CB 0.074 29.884 29.762 0.080 0.000 1.411 78 H HN 0.738 nan 8.280 nan 0.000 0.558 79 H N 0.536 119.682 119.070 0.126 0.000 2.750 79 H HA 0.297 4.853 4.556 -0.000 0.000 0.261 79 H C -0.786 174.650 175.328 0.181 0.000 1.387 79 H CA -0.469 55.659 56.048 0.133 0.000 1.557 79 H CB 0.270 30.103 29.762 0.117 0.000 1.756 79 H HN -0.047 nan 8.280 nan 0.000 0.580 80 K N 2.087 122.446 120.400 -0.070 0.000 2.087 80 K HA 0.336 4.656 4.320 -0.001 0.000 0.255 80 K C -0.717 175.777 176.600 -0.177 0.000 0.988 80 K CA -1.286 54.960 56.287 -0.068 0.000 0.915 80 K CB 1.699 34.147 32.500 -0.087 0.000 1.043 80 K HN 0.223 nan 8.250 nan 0.000 0.457 81 L N 2.376 123.434 121.223 -0.275 0.000 2.281 81 L HA 0.173 4.513 4.340 -0.001 0.000 0.285 81 L C -0.928 175.747 176.870 -0.324 0.000 1.074 81 L CA -0.003 54.617 54.840 -0.366 0.000 0.817 81 L CB 0.317 41.955 42.059 -0.701 0.000 1.168 81 L HN 0.289 nan 8.230 nan 0.000 0.434 82 K N 5.057 125.278 120.400 -0.297 0.000 2.234 82 K HA 0.478 4.797 4.320 -0.001 0.000 0.277 82 K C -1.090 175.196 176.600 -0.524 0.000 1.038 82 K CA -0.409 55.633 56.287 -0.409 0.000 0.888 82 K CB 1.640 33.946 32.500 -0.322 0.000 1.091 82 K HN 0.399 nan 8.250 nan 0.000 0.467 83 V N 4.590 124.066 119.914 -0.730 0.000 2.448 83 V HA 0.420 4.539 4.120 -0.001 0.000 0.295 83 V C -0.713 174.829 176.094 -0.920 0.000 1.025 83 V CA -0.835 60.984 62.300 -0.800 0.000 0.859 83 V CB 0.787 31.969 31.823 -1.068 0.000 0.988 83 V HN 0.467 nan 8.190 nan 0.000 0.431 84 F N 3.688 123.392 119.950 -0.410 0.000 2.361 84 F HA 0.503 5.029 4.527 -0.001 0.000 0.364 84 F C 0.177 175.793 175.800 -0.308 0.000 1.117 84 F CA -0.715 57.096 58.000 -0.315 0.000 1.071 84 F CB 1.738 40.624 39.000 -0.191 0.000 1.188 84 F HN 0.180 nan 8.300 nan 0.000 0.464 85 V N 5.075 124.942 119.914 -0.080 0.000 2.385 85 V HA 0.296 4.416 4.120 -0.001 0.000 0.269 85 V C -0.197 175.994 176.094 0.161 0.000 1.043 85 V CA -0.617 61.701 62.300 0.030 0.000 0.906 85 V CB 1.257 33.167 31.823 0.144 0.000 0.995 85 V HN 0.434 nan 8.190 nan 0.000 0.467 86 V N 8.444 128.402 119.914 0.074 0.000 2.275 86 V HA 0.313 4.433 4.120 -0.001 0.000 0.272 86 V C -2.356 173.772 176.094 0.055 0.000 1.028 86 V CA -1.909 60.401 62.300 0.017 0.000 0.810 86 V CB 1.417 33.158 31.823 -0.136 0.000 1.043 86 V HN 0.721 nan 8.190 nan 0.000 0.453 87 P HA 0.335 nan 4.420 nan 0.000 0.271 87 P C -0.844 176.453 177.300 -0.005 0.000 1.216 87 P CA 0.255 63.331 63.100 -0.039 0.000 0.776 87 P CB 0.379 31.857 31.700 -0.371 0.000 0.881 88 H N -1.182 117.886 119.070 -0.003 0.000 2.990 88 H HA 0.790 5.346 4.556 -0.001 0.000 0.336 88 H C -1.508 173.933 175.328 0.190 0.000 1.306 88 H CA -1.110 54.843 56.048 -0.159 0.000 1.118 88 H CB 0.957 30.572 29.762 -0.246 0.000 1.856 88 H HN 0.203 nan 8.280 nan 0.000 0.538 89 S N 0.670 116.394 115.700 0.040 0.000 2.720 89 S HA 0.210 4.679 4.470 -0.001 0.000 0.278 89 S C -1.838 172.696 174.600 -0.111 0.000 1.172 89 S CA -0.665 57.599 58.200 0.107 0.000 1.019 89 S CB 0.177 63.622 63.200 0.408 0.000 1.049 89 S HN 0.843 nan 8.310 nan 0.000 0.483 90 H N 4.432 123.409 119.070 -0.155 0.000 2.800 90 H HA 0.428 4.984 4.556 -0.001 0.000 0.291 90 H C -0.120 174.815 175.328 -0.655 0.000 1.076 90 H CA 0.280 56.148 56.048 -0.300 0.000 1.452 90 H CB 0.262 29.902 29.762 -0.202 0.000 1.461 90 H HN 0.553 nan 8.280 nan 0.000 0.488 91 N N 5.418 123.469 118.700 -1.082 0.000 2.518 91 N HA 0.058 4.798 4.740 -0.001 0.000 0.254 91 N C -1.187 173.868 175.510 -0.759 0.000 0.979 91 N CA -0.619 51.673 53.050 -1.264 0.000 0.930 91 N CB 1.108 39.139 38.487 -0.760 0.000 1.152 91 N HN 0.653 nan 8.380 nan 0.000 0.505 92 D N 2.735 122.735 120.400 -0.666 0.000 2.343 92 D HA 0.119 4.759 4.640 -0.001 0.000 0.255 92 D C -2.059 174.299 176.300 0.097 0.000 1.187 92 D CA -1.018 52.867 54.000 -0.191 0.000 0.875 92 D CB 1.441 42.389 40.800 0.246 0.000 1.136 92 D HN 0.201 nan 8.370 nan 0.000 0.469 93 P HA 0.194 nan 4.420 nan 0.000 0.235 93 P C 0.005 177.500 177.300 0.325 0.000 1.765 93 P CA -0.042 63.063 63.100 0.008 0.000 1.034 93 P CB 0.162 31.735 31.700 -0.213 0.000 1.984 94 G N 0.410 109.579 108.800 0.616 0.000 3.067 94 G HA2 0.005 3.964 3.960 -0.001 0.000 0.686 94 G HA3 0.005 3.964 3.960 -0.001 0.000 0.686 94 G C -1.055 174.378 174.900 0.889 0.000 1.119 94 G CA -0.610 44.878 45.100 0.647 0.000 0.790 94 G HN 0.361 nan 8.290 nan 0.000 0.605 95 W N 2.415 124.063 121.300 0.580 0.000 4.511 95 W HA 0.278 4.937 4.660 -0.001 0.000 0.159 95 W C 0.959 177.668 176.519 0.318 0.000 3.471 95 W CA 0.951 58.602 57.345 0.511 0.000 1.173 95 W CB -0.771 29.069 29.460 0.633 0.000 2.090 95 W HN 0.512 nan 8.180 nan 0.000 0.393 96 I N 2.092 122.684 120.570 0.037 0.000 3.030 96 I HA 0.105 4.274 4.170 -0.001 0.000 0.270 96 I C 0.535 176.544 176.117 -0.181 0.000 1.211 96 I CA 1.153 62.301 61.300 -0.253 0.000 1.479 96 I CB -1.212 36.598 38.000 -0.318 0.000 1.105 96 I HN -0.002 nan 8.210 nan 0.000 0.447 97 Q N 0.414 119.959 119.800 -0.424 0.000 2.416 97 Q HA 0.366 4.705 4.340 -0.001 0.000 0.279 97 Q C 0.160 175.943 176.000 -0.362 0.000 1.101 97 Q CA -0.392 55.098 55.803 -0.522 0.000 0.830 97 Q CB 2.147 30.255 28.738 -1.051 0.000 1.402 97 Q HN 0.277 nan 8.270 nan 0.000 0.445 98 T N -2.310 112.132 114.554 -0.186 0.000 2.766 98 T HA 0.154 4.503 4.350 -0.001 0.000 0.295 98 T C 1.102 175.900 174.700 0.163 0.000 1.024 98 T CA -0.451 61.615 62.100 -0.057 0.000 1.018 98 T CB 0.258 69.118 68.868 -0.014 0.000 1.002 98 T HN 0.513 nan 8.240 nan 0.000 0.532 99 F N 1.215 121.238 119.950 0.121 0.000 2.063 99 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 99 F C 2.457 178.436 175.800 0.299 0.000 1.109 99 F CA 2.407 60.546 58.000 0.233 0.000 1.212 99 F CB -0.364 38.664 39.000 0.047 0.000 0.973 99 F HN 0.780 nan 8.300 nan 0.000 0.480 100 E N 0.361 120.778 120.200 0.361 0.000 2.106 100 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 100 E C 2.015 178.666 176.600 0.084 0.000 0.984 100 E CA 1.676 58.226 56.400 0.250 0.000 0.806 100 E CB -0.283 29.562 29.700 0.240 0.000 0.750 100 E HN 0.615 nan 8.360 nan 0.000 0.458 101 E N -0.997 119.195 120.200 -0.014 0.000 2.051 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 101 E C 1.818 178.229 176.600 -0.316 0.000 0.991 101 E CA 1.214 57.450 56.400 -0.273 0.000 0.799 101 E CB -0.252 29.353 29.700 -0.158 0.000 0.748 101 E HN 0.341 nan 8.360 nan 0.000 0.449 102 Y N -0.561 119.698 120.300 -0.068 0.000 2.224 102 Y HA -0.255 4.295 4.550 -0.001 0.000 0.289 102 Y C 2.195 178.033 175.900 -0.103 0.000 1.146 102 Y CA 1.253 59.302 58.100 -0.085 0.000 1.182 102 Y CB -0.709 37.795 38.460 0.074 0.000 0.983 102 Y HN 0.198 nan 8.280 nan 0.000 0.524 103 Y N 0.820 121.129 120.300 0.014 0.000 2.145 103 Y HA -0.274 4.275 4.550 -0.001 0.000 0.286 103 Y C 2.273 178.128 175.900 -0.076 0.000 1.145 103 Y CA 1.847 59.908 58.100 -0.065 0.000 1.148 103 Y CB -0.350 38.070 38.460 -0.066 0.000 0.981 103 Y HN 0.053 nan 8.280 nan 0.000 0.507 104 Q N -0.645 119.045 119.800 -0.183 0.000 2.123 104 Q HA -0.159 4.180 4.340 -0.001 0.000 0.199 104 Q C 2.083 178.034 176.000 -0.082 0.000 0.966 104 Q CA 2.129 57.795 55.803 -0.229 0.000 0.845 104 Q CB -0.533 28.109 28.738 -0.160 0.000 0.907 104 Q HN 0.778 nan 8.270 nan 0.000 0.439 105 H N -0.809 118.272 119.070 0.019 0.000 2.497 105 H HA 0.062 4.618 4.556 -0.001 0.000 0.282 105 H C 0.914 176.334 175.328 0.153 0.000 1.003 105 H CA 0.600 56.697 56.048 0.082 0.000 1.307 105 H CB 0.686 30.462 29.762 0.024 0.000 1.437 105 H HN 0.188 nan 8.280 nan 0.000 0.544 106 D N -1.097 119.405 120.400 0.171 0.000 3.081 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.243 106 D C 1.709 178.063 176.300 0.090 0.000 1.388 106 D CA 0.520 54.614 54.000 0.157 0.000 1.245 106 D CB 0.036 40.838 40.800 0.004 0.000 1.319 106 D HN 0.054 nan 8.370 nan 0.000 0.377 107 T N 2.468 116.994 114.554 -0.047 0.000 2.821 107 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 107 T C 1.932 176.469 174.700 -0.272 0.000 1.046 107 T CA 1.377 63.412 62.100 -0.108 0.000 1.139 107 T CB -0.042 68.596 68.868 -0.384 0.000 0.871 107 T HN 0.240 nan 8.240 nan 0.000 0.454 108 K N 0.788 120.845 120.400 -0.572 0.000 2.147 108 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 108 K C 1.920 178.265 176.600 -0.425 0.000 1.049 108 K CA 1.409 57.334 56.287 -0.605 0.000 0.936 108 K CB -0.374 31.540 32.500 -0.977 0.000 0.722 108 K HN 0.390 nan 8.250 nan 0.000 0.446 109 H N 1.099 120.098 119.070 -0.119 0.000 2.363 109 H HA 0.037 4.592 4.556 -0.001 0.000 0.301 109 H C 2.319 177.649 175.328 0.003 0.000 1.074 109 H CA 1.463 57.497 56.048 -0.023 0.000 1.354 109 H CB -0.212 29.563 29.762 0.021 0.000 1.397 109 H HN 0.187 nan 8.280 nan 0.000 0.516 110 I N 0.765 121.418 120.570 0.137 0.000 2.163 110 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 110 I C 2.465 178.596 176.117 0.023 0.000 1.085 110 I CA 1.190 62.616 61.300 0.210 0.000 1.347 110 I CB -0.292 37.901 38.000 0.323 0.000 1.044 110 I HN 0.092 nan 8.210 nan 0.000 0.408 111 L N -0.438 120.579 121.223 -0.344 0.000 2.109 111 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 111 L C 2.687 179.201 176.870 -0.594 0.000 1.086 111 L CA 0.962 55.355 54.840 -0.745 0.000 0.760 111 L CB -0.497 40.552 42.059 -1.684 0.000 0.910 111 L HN 0.164 nan 8.230 nan 0.000 0.437 112 S N 0.206 115.681 115.700 -0.374 0.000 2.359 112 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 112 S C 1.715 176.277 174.600 -0.063 0.000 1.035 112 S CA 1.532 59.747 58.200 0.024 0.000 1.018 112 S CB -0.293 62.981 63.200 0.124 0.000 0.876 112 S HN 0.461 nan 8.310 nan 0.000 0.448 113 N N 1.536 120.186 118.700 -0.084 0.000 2.354 113 N HA 0.120 4.859 4.740 -0.001 0.000 0.179 113 N C 1.693 176.830 175.510 -0.623 0.000 1.021 113 N CA 0.973 53.893 53.050 -0.217 0.000 0.887 113 N CB -0.543 37.926 38.487 -0.030 0.000 0.974 113 N HN 0.396 nan 8.380 nan 0.000 0.437 114 A N 1.060 123.590 122.820 -0.484 0.000 1.898 114 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 114 A C 2.179 179.474 177.584 -0.482 0.000 1.181 114 A CA 0.859 52.451 52.037 -0.742 0.000 0.620 114 A CB -0.651 18.197 19.000 -0.253 0.000 0.819 114 A HN 0.216 nan 8.150 nan 0.000 0.442 115 L N 0.181 121.264 121.223 -0.233 0.000 2.012 115 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 115 L C 2.476 179.273 176.870 -0.122 0.000 1.073 115 L CA 2.579 57.361 54.840 -0.096 0.000 0.748 115 L CB -0.661 41.410 42.059 0.019 0.000 0.891 115 L HN 0.511 nan 8.230 nan 0.000 0.431 116 R N -1.809 118.589 120.500 -0.170 0.000 2.062 116 R HA -0.233 4.107 4.340 -0.001 0.000 0.231 116 R C 2.415 178.615 176.300 -0.167 0.000 1.136 116 R CA 1.853 57.878 56.100 -0.125 0.000 0.948 116 R CB -0.568 29.665 30.300 -0.113 0.000 0.845 116 R HN 0.535 nan 8.270 nan 0.000 0.430 117 H N 0.240 119.020 119.070 -0.484 0.000 2.357 117 H HA -0.005 4.550 4.556 -0.001 0.000 0.301 117 H C 2.061 177.172 175.328 -0.363 0.000 1.082 117 H CA 2.043 57.783 56.048 -0.514 0.000 1.342 117 H CB -0.030 29.135 29.762 -0.995 0.000 1.389 117 H HN 0.146 nan 8.280 nan 0.000 0.511 118 L N -0.680 120.365 121.223 -0.297 0.000 2.056 118 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 118 L C 2.602 179.424 176.870 -0.081 0.000 1.078 118 L CA 1.530 56.279 54.840 -0.151 0.000 0.749 118 L CB -0.682 41.313 42.059 -0.107 0.000 0.901 118 L HN 0.510 nan 8.230 nan 0.000 0.433 119 H N 0.506 119.493 119.070 -0.139 0.000 2.319 119 H HA -0.212 4.344 4.556 -0.001 0.000 0.297 119 H C 1.307 176.572 175.328 -0.105 0.000 1.097 119 H CA 2.116 58.108 56.048 -0.093 0.000 1.285 119 H CB 0.222 29.938 29.762 -0.078 0.000 1.368 119 H HN 0.329 nan 8.280 nan 0.000 0.495 120 D N 0.285 120.572 120.400 -0.187 0.000 2.347 120 D HA -0.003 4.637 4.640 -0.001 0.000 0.213 120 D C -0.006 176.153 176.300 -0.234 0.000 0.985 120 D CA 0.503 54.360 54.000 -0.238 0.000 0.879 120 D CB 0.015 40.702 40.800 -0.187 0.000 0.919 120 D HN 0.324 nan 8.370 nan 0.000 0.526 121 N N 0.661 119.230 118.700 -0.219 0.000 2.762 121 N HA 0.144 4.883 4.740 -0.001 0.000 0.252 121 N C -2.189 173.283 175.510 -0.063 0.000 1.269 121 N CA -1.056 51.912 53.050 -0.137 0.000 0.799 121 N CB 2.305 40.695 38.487 -0.161 0.000 1.173 121 N HN -0.113 nan 8.380 nan 0.000 0.516 122 P HA -0.096 nan 4.420 nan 0.000 0.221 122 P C 0.933 178.253 177.300 0.033 0.000 1.145 122 P CA 1.190 64.275 63.100 -0.024 0.000 0.795 122 P CB 0.545 32.225 31.700 -0.032 0.000 0.775 123 E N -1.634 118.616 120.200 0.083 0.000 2.442 123 E HA 0.051 4.400 4.350 -0.001 0.000 0.195 123 E C 0.829 177.569 176.600 0.233 0.000 1.030 123 E CA 0.084 56.582 56.400 0.164 0.000 0.869 123 E CB -0.378 29.449 29.700 0.212 0.000 0.857 123 E HN 0.257 nan 8.360 nan 0.000 0.505 124 M N 1.606 121.280 119.600 0.122 0.000 2.243 124 M HA 0.087 4.567 4.480 -0.001 0.000 0.341 124 M C -0.311 175.975 176.300 -0.022 0.000 1.130 124 M CA 0.243 55.514 55.300 -0.048 0.000 1.162 124 M CB 0.450 33.027 32.600 -0.039 0.000 1.497 124 M HN -0.356 nan 8.290 nan 0.000 0.456 125 K N 3.176 123.521 120.400 -0.092 0.000 2.444 125 K HA 0.656 4.975 4.320 -0.001 0.000 0.252 125 K C -1.728 174.906 176.600 0.057 0.000 0.993 125 K CA -0.481 55.813 56.287 0.011 0.000 0.847 125 K CB 2.154 34.685 32.500 0.053 0.000 1.340 125 K HN 0.669 nan 8.250 nan 0.000 0.446 126 F N 1.409 121.275 119.950 -0.140 0.000 2.654 126 F HA 0.435 4.961 4.527 -0.001 0.000 0.314 126 F C -1.444 174.251 175.800 -0.176 0.000 1.116 126 F CA -1.243 56.659 58.000 -0.164 0.000 1.017 126 F CB 1.007 39.988 39.000 -0.032 0.000 1.285 126 F HN 0.457 nan 8.300 nan 0.000 0.448 127 I N 1.921 122.158 120.570 -0.555 0.000 2.648 127 I HA 0.606 4.776 4.170 -0.001 0.000 0.304 127 I C -1.681 174.010 176.117 -0.710 0.000 1.009 127 I CA -0.600 60.335 61.300 -0.608 0.000 1.114 127 I CB 2.453 40.035 38.000 -0.698 0.000 1.293 127 I HN 0.694 nan 8.210 nan 0.000 0.449 128 W N 4.478 125.389 121.300 -0.649 0.000 2.957 128 W HA 0.627 5.287 4.660 -0.001 0.000 0.336 128 W C -0.728 175.708 176.519 -0.137 0.000 1.087 128 W CA -0.537 56.557 57.345 -0.417 0.000 1.235 128 W CB 2.684 31.954 29.460 -0.317 0.000 1.399 128 W HN 0.788 nan 8.180 nan 0.000 0.480 129 A N 3.429 125.880 122.820 -0.615 0.000 1.984 129 A HA 0.155 4.474 4.320 -0.001 0.000 0.203 129 A C -0.012 177.518 177.584 -0.089 0.000 1.292 129 A CA 0.540 52.449 52.037 -0.213 0.000 0.782 129 A CB -0.009 18.919 19.000 -0.119 0.000 0.924 129 A HN 0.505 nan 8.150 nan 0.000 0.475 130 E N 0.981 121.018 120.200 -0.273 0.000 2.001 130 E HA 0.315 4.664 4.350 -0.001 0.000 0.279 130 E C 0.416 177.166 176.600 0.250 0.000 1.045 130 E CA -0.286 56.118 56.400 0.007 0.000 0.833 130 E CB 0.799 30.494 29.700 -0.008 0.000 1.077 130 E HN 0.276 nan 8.360 nan 0.000 0.397 131 I N 1.520 122.138 120.570 0.081 0.000 2.676 131 I HA -0.192 3.977 4.170 -0.001 0.000 0.259 131 I C 1.965 177.728 176.117 -0.591 0.000 1.194 131 I CA 0.902 62.172 61.300 -0.050 0.000 1.473 131 I CB -1.360 36.663 38.000 0.038 0.000 1.096 131 I HN 0.415 nan 8.210 nan 0.000 0.443 132 S N 1.120 116.180 115.700 -1.067 0.000 2.365 132 S HA -0.263 4.207 4.470 -0.001 0.000 0.225 132 S C 2.140 176.452 174.600 -0.480 0.000 1.039 132 S CA 1.276 58.488 58.200 -1.647 0.000 1.033 132 S CB -1.014 61.264 63.200 -1.538 0.000 0.887 132 S HN 0.358 nan 8.310 nan 0.000 0.447 133 Y N 0.600 120.915 120.300 0.024 0.000 2.242 133 Y HA 0.136 4.685 4.550 -0.001 0.000 0.291 133 Y C 2.197 178.148 175.900 0.084 0.000 1.137 133 Y CA 0.333 58.538 58.100 0.174 0.000 1.181 133 Y CB -0.887 37.774 38.460 0.334 0.000 0.989 133 Y HN 0.346 nan 8.280 nan 0.000 0.527 134 F N -0.074 119.934 119.950 0.097 0.000 2.146 134 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 134 F C 2.331 177.950 175.800 -0.302 0.000 1.096 134 F CA 1.217 59.153 58.000 -0.107 0.000 1.275 134 F CB -0.442 38.484 39.000 -0.123 0.000 1.008 134 F HN -0.025 nan 8.300 nan 0.000 0.480 135 A N 0.221 122.689 122.820 -0.587 0.000 1.898 135 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 135 A C 2.148 179.624 177.584 -0.181 0.000 1.181 135 A CA 1.724 53.266 52.037 -0.825 0.000 0.620 135 A CB -0.757 17.627 19.000 -1.027 0.000 0.819 135 A HN 0.378 nan 8.150 nan 0.000 0.442 136 R N -1.004 119.426 120.500 -0.117 0.000 2.105 136 R HA -0.157 4.183 4.340 -0.001 0.000 0.239 136 R C 1.723 177.960 176.300 -0.104 0.000 1.135 136 R CA 2.105 58.146 56.100 -0.099 0.000 0.967 136 R CB -0.834 29.365 30.300 -0.167 0.000 0.861 136 R HN 0.505 nan 8.270 nan 0.000 0.442 137 F N -0.402 119.453 119.950 -0.158 0.000 2.118 137 F HA -0.073 4.453 4.527 -0.001 0.000 0.293 137 F C 1.961 177.672 175.800 -0.148 0.000 1.102 137 F CA 1.452 59.419 58.000 -0.055 0.000 1.247 137 F CB -0.849 38.049 39.000 -0.170 0.000 1.017 137 F HN 0.120 nan 8.300 nan 0.000 0.475 138 Y N 0.358 120.416 120.300 -0.403 0.000 2.165 138 Y HA -0.288 4.261 4.550 -0.001 0.000 0.286 138 Y C 2.607 178.296 175.900 -0.353 0.000 1.155 138 Y CA 2.354 60.201 58.100 -0.422 0.000 1.164 138 Y CB -0.776 37.560 38.460 -0.207 0.000 0.978 138 Y HN 0.135 nan 8.280 nan 0.000 0.513 139 H N -0.690 118.390 119.070 0.016 0.000 2.546 139 H HA -0.046 4.509 4.556 -0.001 0.000 0.277 139 H C 0.850 176.076 175.328 -0.169 0.000 1.004 139 H CA 1.306 57.324 56.048 -0.049 0.000 1.231 139 H CB -0.037 29.765 29.762 0.066 0.000 1.382 139 H HN 0.477 nan 8.280 nan 0.000 0.580 140 D N 0.010 120.319 120.400 -0.153 0.000 2.339 140 D HA 0.086 4.726 4.640 -0.001 0.000 0.217 140 D C 0.572 176.694 176.300 -0.297 0.000 1.050 140 D CA 0.038 53.932 54.000 -0.177 0.000 0.856 140 D CB 0.426 41.157 40.800 -0.115 0.000 0.922 140 D HN 0.197 nan 8.370 nan 0.000 0.518 141 L N 0.626 121.576 121.223 -0.455 0.000 2.397 141 L HA 0.336 4.675 4.340 -0.001 0.000 0.271 141 L C 1.388 178.076 176.870 -0.304 0.000 1.148 141 L CA -0.618 53.953 54.840 -0.449 0.000 0.825 141 L CB 0.920 42.633 42.059 -0.576 0.000 1.117 141 L HN -0.033 nan 8.230 nan 0.000 0.456 142 G N 0.801 109.470 108.800 -0.218 0.000 2.636 142 G HA2 0.031 3.990 3.960 -0.001 0.000 0.246 142 G HA3 0.031 3.990 3.960 -0.001 0.000 0.246 142 G C 0.648 175.455 174.900 -0.156 0.000 1.216 142 G CA -0.282 44.727 45.100 -0.152 0.000 0.854 142 G HN 0.790 nan 8.290 nan 0.000 0.572 143 E N 0.432 120.569 120.200 -0.105 0.000 2.085 143 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 143 E C 2.167 178.728 176.600 -0.065 0.000 0.994 143 E CA 1.711 58.064 56.400 -0.078 0.000 0.801 143 E CB -0.253 29.425 29.700 -0.037 0.000 0.743 143 E HN 0.640 nan 8.360 nan 0.000 0.453 144 N N -0.114 118.549 118.700 -0.063 0.000 2.036 144 N HA -0.184 4.555 4.740 -0.001 0.000 0.195 144 N C 1.498 176.966 175.510 -0.070 0.000 1.037 144 N CA 1.829 54.845 53.050 -0.057 0.000 0.855 144 N CB 0.058 38.510 38.487 -0.059 0.000 1.033 144 N HN -0.013 nan 8.380 nan 0.000 0.423 145 K N 0.623 120.966 120.400 -0.096 0.000 2.097 145 K HA -0.052 4.268 4.320 -0.001 0.000 0.205 145 K C 1.895 178.453 176.600 -0.070 0.000 1.050 145 K CA 0.858 57.086 56.287 -0.097 0.000 0.938 145 K CB -0.176 32.248 32.500 -0.126 0.000 0.718 145 K HN 0.351 nan 8.250 nan 0.000 0.442 146 K N 0.917 121.243 120.400 -0.122 0.000 2.044 146 K HA -0.105 4.215 4.320 -0.001 0.000 0.210 146 K C 2.295 178.947 176.600 0.087 0.000 1.049 146 K CA 1.174 57.416 56.287 -0.076 0.000 0.927 146 K CB -0.237 32.136 32.500 -0.213 0.000 0.713 146 K HN 0.054 nan 8.250 nan 0.000 0.443 147 L N 1.049 122.298 121.223 0.044 0.000 2.046 147 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 147 L C 2.620 179.533 176.870 0.073 0.000 1.077 147 L CA 1.312 56.193 54.840 0.068 0.000 0.747 147 L CB -0.393 41.688 42.059 0.036 0.000 0.896 147 L HN 0.267 nan 8.230 nan 0.000 0.432 148 Q N -0.907 118.911 119.800 0.031 0.000 2.096 148 Q HA -0.277 4.062 4.340 -0.001 0.000 0.204 148 Q C 2.210 178.267 176.000 0.097 0.000 0.982 148 Q CA 1.782 57.598 55.803 0.022 0.000 0.850 148 Q CB -0.197 28.483 28.738 -0.096 0.000 0.901 148 Q HN 0.361 nan 8.270 nan 0.000 0.422 149 M N 1.193 120.878 119.600 0.141 0.000 2.086 149 M HA -0.166 4.313 4.480 -0.001 0.000 0.261 149 M C 1.598 178.061 176.300 0.273 0.000 1.067 149 M CA 1.794 57.245 55.300 0.252 0.000 1.116 149 M CB 0.004 32.826 32.600 0.370 0.000 1.348 149 M HN -0.086 nan 8.290 nan 0.000 0.407 150 K N -1.048 119.508 120.400 0.260 0.000 2.103 150 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 150 K C 2.287 178.982 176.600 0.158 0.000 1.048 150 K CA 1.568 57.989 56.287 0.224 0.000 0.930 150 K CB -0.464 32.152 32.500 0.194 0.000 0.716 150 K HN 0.385 nan 8.250 nan 0.000 0.444 151 S N 1.481 117.262 115.700 0.134 0.000 2.355 151 S HA -0.101 4.368 4.470 -0.001 0.000 0.222 151 S C 1.968 176.628 174.600 0.099 0.000 1.031 151 S CA 1.241 59.505 58.200 0.106 0.000 0.993 151 S CB -0.246 63.016 63.200 0.104 0.000 0.859 151 S HN 0.399 nan 8.310 nan 0.000 0.453 152 I N -0.639 119.999 120.570 0.113 0.000 2.614 152 I HA 0.011 4.180 4.170 -0.001 0.000 0.258 152 I C 1.854 178.010 176.117 0.065 0.000 1.189 152 I CA 0.803 62.154 61.300 0.085 0.000 1.462 152 I CB -0.399 37.651 38.000 0.084 0.000 1.092 152 I HN 0.102 nan 8.210 nan 0.000 0.442 153 V N 1.526 121.498 119.914 0.097 0.000 2.346 153 V HA -0.207 3.912 4.120 -0.001 0.000 0.244 153 V C 2.727 178.863 176.094 0.070 0.000 1.037 153 V CA 2.097 64.447 62.300 0.082 0.000 1.029 153 V CB -0.770 31.167 31.823 0.190 0.000 0.663 153 V HN 0.436 nan 8.190 nan 0.000 0.454 154 K N 1.457 121.905 120.400 0.080 0.000 2.063 154 K HA -0.250 4.070 4.320 -0.001 0.000 0.208 154 K C 1.810 178.432 176.600 0.037 0.000 1.048 154 K CA 2.026 58.347 56.287 0.057 0.000 0.928 154 K CB -0.262 32.272 32.500 0.057 0.000 0.713 154 K HN 0.667 nan 8.250 nan 0.000 0.442 155 N N -0.505 118.217 118.700 0.037 0.000 2.461 155 N HA -0.017 4.722 4.740 -0.001 0.000 0.188 155 N C 0.843 176.361 175.510 0.014 0.000 1.134 155 N CA 1.178 54.243 53.050 0.025 0.000 0.878 155 N CB 0.301 38.804 38.487 0.027 0.000 0.972 155 N HN 0.358 nan 8.380 nan 0.000 0.456 156 G N -0.241 108.564 108.800 0.009 0.000 2.143 156 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.249 156 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.249 156 G C 0.742 175.633 174.900 -0.015 0.000 0.981 156 G CA 0.488 45.582 45.100 -0.010 0.000 0.665 156 G HN 0.466 nan 8.290 nan 0.000 0.528 157 Q N -1.384 118.415 119.800 -0.002 0.000 2.096 157 Q HA 0.198 4.538 4.340 -0.001 0.000 0.197 157 Q C 1.186 177.182 176.000 -0.007 0.000 0.964 157 Q CA 0.979 56.786 55.803 0.005 0.000 0.838 157 Q CB 0.183 28.930 28.738 0.016 0.000 0.906 157 Q HN 0.556 nan 8.270 nan 0.000 0.444 158 L N 1.382 122.583 121.223 -0.036 0.000 2.272 158 L HA 0.274 4.613 4.340 -0.001 0.000 0.289 158 L C -0.895 175.807 176.870 -0.279 0.000 1.032 158 L CA 0.008 54.778 54.840 -0.117 0.000 0.810 158 L CB 1.336 43.331 42.059 -0.107 0.000 1.205 158 L HN -0.054 nan 8.230 nan 0.000 0.422 159 E N 4.245 124.241 120.200 -0.341 0.000 2.210 159 E HA 0.361 4.711 4.350 -0.001 0.000 0.266 159 E C -1.458 174.875 176.600 -0.445 0.000 0.883 159 E CA -0.736 55.467 56.400 -0.327 0.000 0.761 159 E CB 0.988 30.574 29.700 -0.189 0.000 1.156 159 E HN 0.480 nan 8.360 nan 0.000 0.412 160 F N 3.208 123.114 119.950 -0.073 0.000 2.427 160 F HA 0.224 4.751 4.527 -0.001 0.000 0.352 160 F C 0.275 176.047 175.800 -0.046 0.000 1.100 160 F CA -0.521 57.448 58.000 -0.052 0.000 1.191 160 F CB 1.210 40.189 39.000 -0.034 0.000 1.128 160 F HN 0.178 nan 8.300 nan 0.000 0.533 161 V N 0.089 120.067 119.914 0.107 0.000 2.495 161 V HA 0.665 4.785 4.120 -0.001 0.000 0.298 161 V C 0.214 176.436 176.094 0.213 0.000 1.031 161 V CA -0.516 61.843 62.300 0.098 0.000 0.871 161 V CB 0.881 32.653 31.823 -0.085 0.000 0.988 161 V HN 0.982 nan 8.190 nan 0.000 0.432 162 T N 3.303 118.057 114.554 0.332 0.000 13.132 162 T HA -0.294 4.056 4.350 -0.001 0.000 0.419 162 T C 1.722 176.652 174.700 0.384 0.000 1.442 162 T CA 2.750 65.093 62.100 0.406 0.000 2.366 162 T CB -1.701 67.307 68.868 0.233 0.000 2.813 162 T HN 2.782 nan 8.240 nan 0.000 0.650 163 G N 1.922 110.884 108.800 0.270 0.000 2.136 163 G HA2 0.129 4.088 3.960 -0.001 0.000 0.242 163 G HA3 0.129 4.088 3.960 -0.001 0.000 0.242 163 G C 0.305 175.344 174.900 0.233 0.000 0.989 163 G CA 0.573 45.807 45.100 0.225 0.000 0.682 163 G HN 1.573 nan 8.290 nan 0.000 0.522 164 G N -1.575 107.361 108.800 0.226 0.000 2.572 164 G HA2 0.354 4.314 3.960 -0.001 0.000 0.261 164 G HA3 0.354 4.314 3.960 -0.001 0.000 0.261 164 G C 0.996 176.070 174.900 0.289 0.000 1.197 164 G CA 0.198 45.442 45.100 0.241 0.000 0.870 164 G HN 0.348 nan 8.290 nan 0.000 0.548 165 W N 0.530 121.874 121.300 0.073 0.000 2.325 165 W HA -0.054 4.606 4.660 -0.001 0.000 0.299 165 W C 0.702 177.251 176.519 0.049 0.000 1.215 165 W CA 1.923 59.296 57.345 0.048 0.000 1.244 165 W CB 0.235 29.708 29.460 0.021 0.000 1.140 165 W HN 0.408 nan 8.180 nan 0.000 0.523 166 V N -2.775 117.260 119.914 0.202 0.000 3.156 166 V HA 0.493 4.613 4.120 -0.001 0.000 0.310 166 V C -0.434 175.743 176.094 0.139 0.000 1.234 166 V CA -1.283 61.080 62.300 0.105 0.000 1.065 166 V CB 1.735 33.639 31.823 0.135 0.000 1.088 166 V HN -0.056 nan 8.190 nan 0.000 0.451 167 M N 3.963 123.671 119.600 0.179 0.000 2.152 167 M HA 0.502 4.982 4.480 -0.001 0.000 0.354 167 M C -2.667 173.788 176.300 0.258 0.000 1.173 167 M CA -1.889 53.535 55.300 0.206 0.000 1.110 167 M CB 1.310 34.054 32.600 0.241 0.000 1.366 167 M HN 0.635 nan 8.290 nan 0.000 0.415 168 P HA 0.118 nan 4.420 nan 0.000 0.274 168 P C -0.923 176.388 177.300 0.018 0.000 1.231 168 P CA -0.187 62.963 63.100 0.084 0.000 0.790 168 P CB 0.546 32.282 31.700 0.060 0.000 0.951 169 D N 0.674 121.044 120.400 -0.051 0.000 2.478 169 D HA -0.087 4.552 4.640 -0.001 0.000 0.234 169 D C 0.706 177.016 176.300 0.018 0.000 1.154 169 D CA 0.731 54.682 54.000 -0.080 0.000 0.874 169 D CB 0.441 41.202 40.800 -0.066 0.000 1.198 169 D HN 0.315 nan 8.370 nan 0.000 0.455 170 E N 1.370 121.626 120.200 0.093 0.000 2.511 170 E HA 0.192 4.541 4.350 -0.001 0.000 0.209 170 E C 0.892 177.668 176.600 0.294 0.000 0.986 170 E CA 0.043 56.565 56.400 0.204 0.000 0.974 170 E CB 0.681 30.518 29.700 0.230 0.000 1.030 170 E HN 0.465 nan 8.360 nan 0.000 0.490 171 A N 1.514 124.455 122.820 0.202 0.000 1.887 171 A HA 0.020 4.339 4.320 -0.001 0.000 0.210 171 A C 1.828 179.297 177.584 -0.193 0.000 1.221 171 A CA 0.610 52.535 52.037 -0.186 0.000 0.635 171 A CB 0.025 18.887 19.000 -0.230 0.000 0.881 171 A HN 0.029 nan 8.150 nan 0.000 0.456 172 N N 0.619 119.296 118.700 -0.039 0.000 2.356 172 N HA 0.012 4.752 4.740 -0.001 0.000 0.178 172 N C 0.422 175.920 175.510 -0.020 0.000 1.075 172 N CA 0.748 53.771 53.050 -0.045 0.000 0.889 172 N CB 0.077 38.582 38.487 0.030 0.000 0.999 172 N HN 0.497 nan 8.380 nan 0.000 0.464 173 S N 0.776 116.475 115.700 -0.003 0.000 2.549 173 S HA 0.035 4.505 4.470 -0.001 0.000 0.279 173 S C 0.033 174.646 174.600 0.022 0.000 1.321 173 S CA -0.560 57.650 58.200 0.017 0.000 1.054 173 S CB 1.108 64.320 63.200 0.021 0.000 0.899 173 S HN 0.202 nan 8.310 nan 0.000 0.497 174 H N 3.479 122.525 119.070 -0.039 0.000 2.582 174 H HA 0.038 4.593 4.556 -0.001 0.000 0.345 174 H C 1.266 176.564 175.328 -0.050 0.000 1.104 174 H CA -0.191 55.819 56.048 -0.062 0.000 1.390 174 H CB 0.523 30.198 29.762 -0.145 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.551 175 W N 5.828 127.024 121.300 -0.174 0.000 2.350 175 W HA -0.180 4.480 4.660 -0.001 0.000 0.289 175 W C 1.112 177.693 176.519 0.102 0.000 1.215 175 W CA 0.447 57.766 57.345 -0.044 0.000 1.236 175 W CB -0.492 28.879 29.460 -0.149 0.000 1.130 175 W HN 0.536 nan 8.180 nan 0.000 0.541 176 R N 0.778 120.904 120.500 -0.623 0.000 2.096 176 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 176 R C 1.987 178.125 176.300 -0.269 0.000 1.127 176 R CA 1.890 57.534 56.100 -0.759 0.000 0.968 176 R CB -0.426 29.366 30.300 -0.845 0.000 0.861 176 R HN 0.156 nan 8.270 nan 0.000 0.440 177 N N -0.205 118.419 118.700 -0.127 0.000 2.376 177 N HA -0.047 4.692 4.740 -0.001 0.000 0.177 177 N C 1.701 177.213 175.510 0.003 0.000 1.024 177 N CA 0.645 53.661 53.050 -0.056 0.000 0.893 177 N CB 0.067 38.539 38.487 -0.025 0.000 0.980 177 N HN 0.002 nan 8.380 nan 0.000 0.439 178 V N 1.356 121.294 119.914 0.041 0.000 2.343 178 V HA -0.161 3.959 4.120 -0.001 0.000 0.247 178 V C 2.305 178.442 176.094 0.072 0.000 1.051 178 V CA 1.037 63.379 62.300 0.071 0.000 1.036 178 V CB -0.453 31.431 31.823 0.101 0.000 0.654 178 V HN 0.190 nan 8.190 nan 0.000 0.451 179 L N -0.300 120.975 121.223 0.087 0.000 2.093 179 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 179 L C 2.148 179.028 176.870 0.018 0.000 1.085 179 L CA 1.753 56.638 54.840 0.075 0.000 0.755 179 L CB -0.665 41.474 42.059 0.134 0.000 0.904 179 L HN 0.283 nan 8.230 nan 0.000 0.435 180 L N -0.094 121.118 121.223 -0.018 0.000 2.017 180 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 180 L C 2.580 179.438 176.870 -0.019 0.000 1.073 180 L CA 2.289 57.106 54.840 -0.039 0.000 0.745 180 L CB -0.748 41.268 42.059 -0.070 0.000 0.894 180 L HN 0.661 nan 8.230 nan 0.000 0.432 181 Q N -0.929 118.882 119.800 0.018 0.000 2.172 181 Q HA -0.195 4.144 4.340 -0.001 0.000 0.200 181 Q C 2.023 178.104 176.000 0.136 0.000 0.964 181 Q CA 2.036 57.884 55.803 0.074 0.000 0.855 181 Q CB -1.166 27.651 28.738 0.132 0.000 0.918 181 Q HN 0.465 nan 8.270 nan 0.000 0.444 182 L N 0.857 122.145 121.223 0.109 0.000 2.017 182 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 182 L C 1.945 178.894 176.870 0.132 0.000 1.073 182 L CA 2.490 57.408 54.840 0.130 0.000 0.745 182 L CB -1.024 41.090 42.059 0.091 0.000 0.894 182 L HN 0.344 nan 8.230 nan 0.000 0.432 183 T N -1.036 113.563 114.554 0.076 0.000 2.821 183 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 183 T C 1.728 176.478 174.700 0.083 0.000 1.046 183 T CA 1.403 63.540 62.100 0.062 0.000 1.139 183 T CB -0.161 68.713 68.868 0.011 0.000 0.871 183 T HN 0.321 nan 8.240 nan 0.000 0.454 184 E N 1.013 121.237 120.200 0.040 0.000 2.051 184 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 184 E C 2.351 179.075 176.600 0.206 0.000 0.991 184 E CA 1.525 57.904 56.400 -0.035 0.000 0.799 184 E CB -0.867 28.621 29.700 -0.354 0.000 0.748 184 E HN 0.445 nan 8.360 nan 0.000 0.449 185 G N -0.116 108.906 108.800 0.370 0.000 2.402 185 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.216 185 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.216 185 G C 1.500 176.620 174.900 0.366 0.000 1.162 185 G CA 0.654 46.059 45.100 0.509 0.000 0.777 185 G HN 0.257 nan 8.290 nan 0.000 0.539 186 Q N -0.182 119.769 119.800 0.252 0.000 2.172 186 Q HA -0.054 4.286 4.340 -0.001 0.000 0.200 186 Q C 2.818 178.912 176.000 0.158 0.000 0.964 186 Q CA 1.413 57.323 55.803 0.179 0.000 0.855 186 Q CB -0.209 28.616 28.738 0.145 0.000 0.918 186 Q HN 0.408 nan 8.270 nan 0.000 0.444 187 T N 0.271 114.928 114.554 0.171 0.000 2.746 187 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 187 T C 1.099 175.892 174.700 0.155 0.000 1.039 187 T CA 1.149 63.326 62.100 0.127 0.000 1.142 187 T CB -0.390 68.549 68.868 0.118 0.000 0.866 187 T HN 0.469 nan 8.240 nan 0.000 0.444 188 W N 1.570 122.963 121.300 0.156 0.000 2.335 188 W HA -0.060 4.599 4.660 -0.001 0.000 0.311 188 W C 1.815 178.441 176.519 0.178 0.000 1.213 188 W CA 0.964 58.480 57.345 0.284 0.000 1.274 188 W CB -0.447 29.253 29.460 0.401 0.000 1.148 188 W HN 0.149 nan 8.180 nan 0.000 0.498 189 L N 0.559 121.984 121.223 0.336 0.000 2.046 189 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 189 L C 2.597 179.397 176.870 -0.117 0.000 1.077 189 L CA 1.867 56.736 54.840 0.049 0.000 0.747 189 L CB -0.943 41.088 42.059 -0.045 0.000 0.896 189 L HN -0.020 nan 8.230 nan 0.000 0.432 190 K N 0.030 120.379 120.400 -0.085 0.000 2.057 190 K HA -0.263 4.057 4.320 -0.001 0.000 0.207 190 K C 2.202 178.659 176.600 -0.239 0.000 1.049 190 K CA 1.622 57.836 56.287 -0.122 0.000 0.931 190 K CB -0.027 32.428 32.500 -0.075 0.000 0.714 190 K HN 0.249 nan 8.250 nan 0.000 0.440 191 Q N -0.856 118.722 119.800 -0.370 0.000 2.046 191 Q HA -0.137 4.203 4.340 -0.001 0.000 0.200 191 Q C 1.429 176.923 176.000 -0.844 0.000 0.975 191 Q CA 1.709 57.122 55.803 -0.650 0.000 0.836 191 Q CB 0.052 28.252 28.738 -0.898 0.000 0.896 191 Q HN 0.315 nan 8.270 nan 0.000 0.428 192 F N -1.404 118.152 119.950 -0.656 0.000 2.622 192 F HA 0.140 4.666 4.527 -0.001 0.000 0.288 192 F C 1.580 177.093 175.800 -0.479 0.000 1.120 192 F CA 0.241 57.786 58.000 -0.759 0.000 1.423 192 F CB 0.456 38.485 39.000 -1.618 0.000 1.127 192 F HN 0.100 nan 8.300 nan 0.000 0.588 193 M N -1.045 118.419 119.600 -0.226 0.000 2.292 193 M HA 0.238 4.717 4.480 -0.001 0.000 0.286 193 M C 0.273 176.563 176.300 -0.017 0.000 1.002 193 M CA 0.164 55.443 55.300 -0.035 0.000 1.029 193 M CB -1.035 31.582 32.600 0.028 0.000 1.537 193 M HN 0.077 nan 8.290 nan 0.000 0.543 194 N N 2.090 120.740 118.700 -0.083 0.000 2.727 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 194 N C -0.969 174.527 175.510 -0.024 0.000 1.048 194 N CA 0.728 53.742 53.050 -0.059 0.000 0.714 194 N CB -0.906 37.559 38.487 -0.037 0.000 0.959 194 N HN 0.395 nan 8.380 nan 0.000 0.544 195 V N -3.954 115.947 119.914 -0.022 0.000 3.049 195 V HA 0.872 4.991 4.120 -0.001 0.000 0.309 195 V C 0.018 176.100 176.094 -0.019 0.000 1.148 195 V CA -0.512 61.790 62.300 0.003 0.000 0.990 195 V CB 2.367 34.238 31.823 0.079 0.000 1.039 195 V HN 0.046 nan 8.190 nan 0.000 0.430 196 T N 3.817 118.350 114.554 -0.035 0.000 2.930 196 T HA 0.576 4.925 4.350 -0.001 0.000 0.313 196 T C -2.761 171.860 174.700 -0.132 0.000 1.019 196 T CA -0.766 61.294 62.100 -0.068 0.000 1.004 196 T CB 1.395 70.213 68.868 -0.083 0.000 0.987 196 T HN 0.771 nan 8.240 nan 0.000 0.456 197 P HA 0.165 nan 4.420 nan 0.000 0.266 197 P C 0.828 177.749 177.300 -0.632 0.000 1.195 197 P CA -0.135 62.849 63.100 -0.193 0.000 0.768 197 P CB 0.514 32.214 31.700 -0.000 0.000 0.838 198 T N -1.811 112.424 114.554 -0.531 0.000 3.043 198 T HA 0.542 4.891 4.350 -0.001 0.000 0.272 198 T C 0.324 174.849 174.700 -0.292 0.000 0.990 198 T CA -0.289 61.378 62.100 -0.722 0.000 0.897 198 T CB 0.135 68.789 68.868 -0.357 0.000 1.111 198 T HN 0.418 nan 8.240 nan 0.000 0.529 199 A N 0.895 123.700 122.820 -0.026 0.000 2.343 199 A HA 0.799 5.119 4.320 -0.001 0.000 0.316 199 A C -0.150 177.701 177.584 0.446 0.000 1.104 199 A CA -0.695 51.478 52.037 0.226 0.000 0.768 199 A CB 1.782 20.930 19.000 0.246 0.000 1.213 199 A HN 0.262 nan 8.150 nan 0.000 0.456 200 S N 2.250 118.204 115.700 0.424 0.000 2.549 200 S HA 0.661 5.131 4.470 -0.001 0.000 0.297 200 S C -1.080 173.708 174.600 0.314 0.000 1.115 200 S CA -0.429 57.956 58.200 0.310 0.000 1.059 200 S CB 0.719 63.925 63.200 0.010 0.000 1.046 200 S HN 0.801 nan 8.310 nan 0.000 0.506 201 W N 4.722 126.040 121.300 0.030 0.000 2.463 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.316 201 W C -1.415 175.055 176.519 -0.082 0.000 1.004 201 W CA -0.850 56.465 57.345 -0.050 0.000 1.309 201 W CB 1.133 30.535 29.460 -0.097 0.000 1.288 201 W HN 0.783 nan 8.180 nan 0.000 0.423 202 A N 7.895 130.560 122.820 -0.259 0.000 2.842 202 A HA 0.268 4.588 4.320 -0.001 0.000 0.339 202 A C 0.402 177.745 177.584 -0.402 0.000 1.177 202 A CA -0.477 51.418 52.037 -0.236 0.000 0.797 202 A CB -0.412 18.569 19.000 -0.033 0.000 1.094 202 A HN 0.701 nan 8.150 nan 0.000 0.474 203 I N -2.163 117.985 120.570 -0.703 0.000 3.419 203 I HA 0.303 4.472 4.170 -0.001 0.000 0.286 203 I C 1.282 177.091 176.117 -0.513 0.000 1.268 203 I CA 1.281 62.130 61.300 -0.752 0.000 1.414 203 I CB 0.481 37.775 38.000 -1.177 0.000 1.074 203 I HN 0.348 nan 8.210 nan 0.000 0.457 204 A N 0.427 122.919 122.820 -0.547 0.000 2.226 204 A HA 0.486 4.806 4.320 -0.001 0.000 0.207 204 A C -2.024 175.141 177.584 -0.698 0.000 1.293 204 A CA -0.206 51.474 52.037 -0.595 0.000 0.968 204 A CB -0.740 17.769 19.000 -0.818 0.000 1.044 204 A HN 0.242 nan 8.150 nan 0.000 0.493 205 P HA 0.159 nan 4.420 nan 0.000 0.269 205 P C -0.768 176.109 177.300 -0.706 0.000 1.215 205 P CA 0.262 62.871 63.100 -0.817 0.000 0.780 205 P CB 0.095 31.464 31.700 -0.551 0.000 0.898 206 F N 1.891 121.610 119.950 -0.384 0.000 2.541 206 F HA 0.542 5.068 4.527 -0.001 0.000 0.351 206 F C 1.422 177.160 175.800 -0.103 0.000 1.209 206 F CA -0.641 57.091 58.000 -0.446 0.000 1.277 206 F CB -1.129 37.742 39.000 -0.216 0.000 1.632 206 F HN 0.507 nan 8.300 nan 0.000 0.619 207 G N 1.259 109.811 108.800 -0.413 0.000 2.662 207 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.686 207 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.686 207 G C -1.484 173.050 174.900 -0.610 0.000 1.271 207 G CA -1.157 43.790 45.100 -0.255 0.000 0.816 207 G HN 0.611 nan 8.290 nan 0.000 0.608 208 H N -0.585 118.182 119.070 -0.505 0.000 2.717 208 H HA 0.737 5.293 4.556 -0.001 0.000 0.366 208 H C -0.359 174.855 175.328 -0.190 0.000 1.132 208 H CA 0.039 55.982 56.048 -0.175 0.000 1.180 208 H CB 2.027 31.843 29.762 0.089 0.000 1.678 208 H HN 0.691 nan 8.280 nan 0.000 0.537 209 S N 2.399 118.233 115.700 0.223 0.000 2.501 209 S HA 0.263 4.732 4.470 -0.001 0.000 0.301 209 S C -1.762 172.871 174.600 0.054 0.000 1.096 209 S CA -1.794 56.549 58.200 0.238 0.000 1.063 209 S CB 1.321 64.705 63.200 0.307 0.000 1.042 209 S HN 0.450 nan 8.310 nan 0.000 0.494 210 P HA 0.012 nan 4.420 nan 0.000 0.234 210 P C 1.090 178.138 177.300 -0.419 0.000 1.167 210 P CA 0.746 63.469 63.100 -0.629 0.000 0.763 210 P CB -0.254 31.234 31.700 -0.354 0.000 0.835 211 T N -0.124 114.316 114.554 -0.191 0.000 2.833 211 T HA -0.101 4.248 4.350 -0.001 0.000 0.269 211 T C 1.847 176.496 174.700 -0.085 0.000 1.054 211 T CA 1.217 63.242 62.100 -0.125 0.000 1.135 211 T CB -0.403 68.429 68.868 -0.059 0.000 0.869 211 T HN -0.007 nan 8.240 nan 0.000 0.466 212 M N 0.975 120.489 119.600 -0.143 0.000 2.059 212 M HA -0.018 4.462 4.480 -0.001 0.000 0.259 212 M C -0.606 175.555 176.300 -0.232 0.000 1.072 212 M CA 1.377 56.588 55.300 -0.149 0.000 1.117 212 M CB -2.560 29.979 32.600 -0.102 0.000 1.320 212 M HN 0.140 nan 8.290 nan 0.000 0.408 213 P HA -0.194 nan 4.420 nan 0.000 0.218 213 P C 1.691 178.864 177.300 -0.212 0.000 1.149 213 P CA 1.414 64.317 63.100 -0.328 0.000 0.817 213 P CB -0.443 30.954 31.700 -0.504 0.000 0.785 214 Y N 1.085 121.196 120.300 -0.315 0.000 2.097 214 Y HA -0.208 4.341 4.550 -0.001 0.000 0.282 214 Y C 2.398 178.212 175.900 -0.142 0.000 1.152 214 Y CA 1.717 59.695 58.100 -0.203 0.000 1.136 214 Y CB -0.960 37.397 38.460 -0.172 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.427 120.167 120.570 0.041 0.000 2.252 215 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 215 I C 2.273 178.324 176.117 -0.111 0.000 1.102 215 I CA 1.155 62.446 61.300 -0.015 0.000 1.385 215 I CB -0.398 37.651 38.000 0.081 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.066 121.173 121.223 -0.192 0.000 2.046 216 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 216 L C 2.687 179.538 176.870 -0.031 0.000 1.077 216 L CA 1.205 55.868 54.840 -0.295 0.000 0.747 216 L CB -0.716 40.979 42.059 -0.607 0.000 0.896 216 L HN 0.341 nan 8.230 nan 0.000 0.432 217 Q N 1.094 120.844 119.800 -0.083 0.000 2.226 217 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 217 Q C 1.670 177.630 176.000 -0.067 0.000 0.975 217 Q CA 1.478 57.252 55.803 -0.048 0.000 0.866 217 Q CB 0.123 28.802 28.738 -0.099 0.000 0.915 217 Q HN 0.469 nan 8.270 nan 0.000 0.440 218 K N -0.494 119.827 120.400 -0.131 0.000 2.444 218 K HA 0.111 4.431 4.320 -0.001 0.000 0.193 218 K C 0.673 177.238 176.600 -0.059 0.000 1.024 218 K CA 0.125 56.330 56.287 -0.136 0.000 1.077 218 K CB 0.531 32.880 32.500 -0.250 0.000 0.833 218 K HN -0.067 nan 8.250 nan 0.000 0.517 219 S N -0.202 115.516 115.700 0.031 0.000 2.754 219 S HA 0.200 4.669 4.470 -0.001 0.000 0.247 219 S C 0.783 175.482 174.600 0.165 0.000 1.031 219 S CA 0.103 58.368 58.200 0.109 0.000 1.014 219 S CB 1.273 64.579 63.200 0.177 0.000 0.918 219 S HN 0.521 nan 8.310 nan 0.000 0.519 220 G N 1.230 110.080 108.800 0.084 0.000 2.176 220 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G C -0.013 174.863 174.900 -0.039 0.000 0.979 220 G CA -0.402 44.692 45.100 -0.010 0.000 0.641 220 G HN 0.439 nan 8.290 nan 0.000 0.530 221 F N 0.352 120.262 119.950 -0.067 0.000 2.450 221 F HA 0.560 5.087 4.527 -0.001 0.000 0.339 221 F C 1.607 177.349 175.800 -0.098 0.000 1.146 221 F CA 0.108 58.064 58.000 -0.074 0.000 1.267 221 F CB 0.872 39.832 39.000 -0.067 0.000 1.178 221 F HN -0.177 nan 8.300 nan 0.000 0.585 222 K N 0.669 121.089 120.400 0.034 0.000 2.464 222 K HA 0.253 4.572 4.320 -0.001 0.000 0.206 222 K C -0.414 176.124 176.600 -0.103 0.000 1.186 222 K CA 0.232 56.480 56.287 -0.066 0.000 0.990 222 K CB 0.349 32.763 32.500 -0.143 0.000 1.003 222 K HN 0.524 nan 8.250 nan 0.000 0.562 223 N N 0.811 119.432 118.700 -0.133 0.000 2.484 223 N HA 0.405 5.145 4.740 -0.001 0.000 0.269 223 N C -0.931 174.422 175.510 -0.261 0.000 1.237 223 N CA -0.403 52.397 53.050 -0.416 0.000 0.838 223 N CB 2.548 40.222 38.487 -1.354 0.000 1.593 223 N HN -0.070 nan 8.380 nan 0.000 0.485 224 M N -0.380 119.081 119.600 -0.231 0.000 2.569 224 M HA 0.630 5.109 4.480 -0.001 0.000 0.279 224 M C -1.991 174.374 176.300 0.107 0.000 1.253 224 M CA -0.948 54.345 55.300 -0.012 0.000 0.867 224 M CB 2.892 35.474 32.600 -0.029 0.000 1.727 224 M HN 0.464 nan 8.290 nan 0.000 0.467 225 L N 3.612 124.912 121.223 0.128 0.000 2.386 225 L HA 0.868 5.207 4.340 -0.001 0.000 0.271 225 L C -1.431 175.319 176.870 -0.199 0.000 0.993 225 L CA -0.722 54.151 54.840 0.056 0.000 0.819 225 L CB 1.960 44.088 42.059 0.115 0.000 1.294 225 L HN 0.943 nan 8.230 nan 0.000 0.414 226 I N 0.995 121.361 120.570 -0.341 0.000 3.042 226 I HA 0.627 4.797 4.170 -0.001 0.000 0.310 226 I C -0.673 175.144 176.117 -0.499 0.000 1.117 226 I CA -0.573 60.339 61.300 -0.647 0.000 1.003 226 I CB 2.243 39.574 38.000 -1.116 0.000 1.228 226 I HN 0.734 nan 8.210 nan 0.000 0.443 227 Q N 1.750 121.315 119.800 -0.391 0.000 2.506 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.239 227 Q C 0.036 175.945 176.000 -0.152 0.000 0.782 227 Q CA 0.377 56.039 55.803 -0.235 0.000 0.972 227 Q CB 0.600 29.197 28.738 -0.235 0.000 1.304 227 Q HN 0.665 nan 8.270 nan 0.000 0.534 228 R N 1.995 122.438 120.500 -0.095 0.000 2.870 228 R HA 0.352 4.691 4.340 -0.001 0.000 0.254 228 R C -0.735 175.323 176.300 -0.402 0.000 1.392 228 R CA 0.547 56.334 56.100 -0.523 0.000 1.322 228 R CB 0.291 29.943 30.300 -1.081 0.000 1.205 228 R HN 0.381 nan 8.270 nan 0.000 0.597 229 T N -2.540 112.003 114.554 -0.020 0.000 2.924 229 T HA 0.146 4.496 4.350 -0.001 0.000 0.291 229 T C -0.006 174.947 174.700 0.421 0.000 1.045 229 T CA -0.888 61.325 62.100 0.188 0.000 1.015 229 T CB 1.720 70.549 68.868 -0.064 0.000 1.103 229 T HN 0.395 nan 8.240 nan 0.000 0.496 230 H N 1.949 121.228 119.070 0.349 0.000 3.094 230 H HA -0.048 4.508 4.556 -0.001 0.000 0.320 230 H C 1.078 176.458 175.328 0.087 0.000 1.000 230 H CA 0.491 56.642 56.048 0.172 0.000 1.413 230 H CB 0.325 30.214 29.762 0.211 0.000 1.405 230 H HN 0.928 nan 8.280 nan 0.000 0.586 231 Y N 2.411 122.818 120.300 0.179 0.000 2.256 231 Y HA -0.188 4.361 4.550 -0.001 0.000 0.288 231 Y C 2.180 178.247 175.900 0.279 0.000 1.155 231 Y CA 1.040 59.273 58.100 0.222 0.000 1.203 231 Y CB -0.680 37.850 38.460 0.117 0.000 0.980 231 Y HN 0.301 nan 8.280 nan 0.000 0.530 232 S N 0.331 116.053 115.700 0.035 0.000 2.406 232 S HA -0.117 4.353 4.470 -0.001 0.000 0.228 232 S C 2.089 176.602 174.600 -0.146 0.000 1.020 232 S CA 1.159 59.279 58.200 -0.133 0.000 0.965 232 S CB -0.557 62.341 63.200 -0.503 0.000 0.798 232 S HN 0.374 nan 8.310 nan 0.000 0.488 233 V N 1.999 121.885 119.914 -0.047 0.000 2.307 233 V HA -0.180 3.940 4.120 -0.001 0.000 0.245 233 V C 2.250 178.379 176.094 0.059 0.000 1.045 233 V CA 1.600 63.909 62.300 0.015 0.000 1.024 233 V CB -0.535 31.401 31.823 0.188 0.000 0.651 233 V HN 0.407 nan 8.190 nan 0.000 0.449 234 K N 0.156 120.633 120.400 0.128 0.000 2.044 234 K HA -0.271 4.049 4.320 -0.001 0.000 0.210 234 K C 2.283 179.013 176.600 0.218 0.000 1.049 234 K CA 1.994 58.377 56.287 0.159 0.000 0.927 234 K CB -0.270 32.383 32.500 0.255 0.000 0.713 234 K HN 0.354 nan 8.250 nan 0.000 0.443 235 K N 1.131 121.659 120.400 0.214 0.000 2.026 235 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 235 K C 2.159 178.851 176.600 0.154 0.000 1.048 235 K CA 1.818 58.238 56.287 0.221 0.000 0.929 235 K CB 0.012 32.571 32.500 0.097 0.000 0.713 235 K HN -0.008 nan 8.250 nan 0.000 0.439 236 E N 0.834 121.045 120.200 0.018 0.000 2.051 236 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 236 E C 1.936 178.528 176.600 -0.012 0.000 0.991 236 E CA 1.466 57.836 56.400 -0.050 0.000 0.799 236 E CB -0.178 29.444 29.700 -0.131 0.000 0.748 236 E HN 0.350 nan 8.360 nan 0.000 0.449 237 L N -0.265 120.962 121.223 0.007 0.000 2.093 237 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 237 L C 2.501 179.393 176.870 0.037 0.000 1.085 237 L CA 0.881 55.720 54.840 -0.002 0.000 0.755 237 L CB -0.566 41.477 42.059 -0.027 0.000 0.904 237 L HN 0.211 nan 8.230 nan 0.000 0.435 238 A N -0.263 122.633 122.820 0.126 0.000 1.902 238 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 238 A C 2.216 179.989 177.584 0.316 0.000 1.181 238 A CA 1.448 53.617 52.037 0.220 0.000 0.623 238 A CB -0.450 18.832 19.000 0.470 0.000 0.818 238 A HN 0.449 nan 8.150 nan 0.000 0.443 239 Q N -0.949 118.989 119.800 0.230 0.000 2.181 239 Q HA -0.162 4.177 4.340 -0.001 0.000 0.205 239 Q C 1.368 177.359 176.000 -0.014 0.000 0.980 239 Q CA 1.325 57.105 55.803 -0.038 0.000 0.862 239 Q CB -0.036 28.545 28.738 -0.262 0.000 0.905 239 Q HN 0.605 nan 8.270 nan 0.000 0.429 240 Q N -0.228 119.576 119.800 0.006 0.000 2.247 240 Q HA 0.134 4.474 4.340 -0.001 0.000 0.204 240 Q C -0.405 175.611 176.000 0.027 0.000 0.872 240 Q CA -0.021 55.782 55.803 -0.000 0.000 0.951 240 Q CB 0.651 29.378 28.738 -0.018 0.000 1.099 240 Q HN 0.279 nan 8.270 nan 0.000 0.501 241 R N 0.858 121.380 120.500 0.038 0.000 3.322 241 R HA -0.214 4.125 4.340 -0.001 0.000 0.253 241 R C -0.110 176.222 176.300 0.053 0.000 0.987 241 R CA 0.476 56.590 56.100 0.023 0.000 0.666 241 R CB -1.857 28.480 30.300 0.063 0.000 1.072 241 R HN 0.396 nan 8.270 nan 0.000 0.447 242 Q N 0.023 119.844 119.800 0.035 0.000 2.186 242 Q HA 0.191 4.530 4.340 -0.001 0.000 0.241 242 Q C 1.233 177.315 176.000 0.136 0.000 0.849 242 Q CA -0.225 55.632 55.803 0.091 0.000 1.053 242 Q CB 0.529 29.285 28.738 0.031 0.000 1.146 242 Q HN 0.446 nan 8.270 nan 0.000 0.475 243 L N 0.099 121.335 121.223 0.021 0.000 2.395 243 L HA 0.035 4.375 4.340 -0.001 0.000 0.218 243 L C 0.335 177.191 176.870 -0.023 0.000 1.130 243 L CA 0.932 55.757 54.840 -0.026 0.000 0.826 243 L CB 0.299 42.159 42.059 -0.331 0.000 0.941 243 L HN 0.193 nan 8.230 nan 0.000 0.451 244 E N 0.161 120.388 120.200 0.045 0.000 2.171 244 E HA 0.528 4.877 4.350 -0.001 0.000 0.271 244 E C -1.213 175.294 176.600 -0.155 0.000 0.916 244 E CA -0.544 55.689 56.400 -0.278 0.000 0.774 244 E CB 1.542 31.198 29.700 -0.074 0.000 1.128 244 E HN 0.003 nan 8.360 nan 0.000 0.403 245 F N -0.368 119.319 119.950 -0.438 0.000 2.693 245 F HA 0.449 4.976 4.527 -0.001 0.000 0.309 245 F C -1.601 174.086 175.800 -0.189 0.000 1.129 245 F CA -1.366 56.525 58.000 -0.182 0.000 0.948 245 F CB 0.742 39.670 39.000 -0.120 0.000 1.315 245 F HN 0.165 nan 8.300 nan 0.000 0.447 246 L N 2.715 124.088 121.223 0.250 0.000 2.268 246 L HA 0.176 4.516 4.340 -0.001 0.000 0.289 246 L C -1.070 176.023 176.870 0.372 0.000 1.064 246 L CA -0.218 54.768 54.840 0.244 0.000 0.824 246 L CB 0.484 42.688 42.059 0.242 0.000 1.202 246 L HN 0.592 nan 8.230 nan 0.000 0.433 247 W N 6.830 128.233 121.300 0.172 0.000 2.416 247 W HA 0.335 4.995 4.660 -0.001 0.000 0.318 247 W C 0.227 176.770 176.519 0.040 0.000 1.150 247 W CA -1.286 56.178 57.345 0.199 0.000 1.392 247 W CB 0.466 30.086 29.460 0.266 0.000 1.311 247 W HN 0.512 nan 8.180 nan 0.000 0.436 248 R N 3.743 124.417 120.500 0.292 0.000 2.758 248 R HA 0.538 4.877 4.340 -0.001 0.000 0.265 248 R C -0.072 176.139 176.300 -0.150 0.000 1.016 248 R CA -0.889 55.211 56.100 -0.001 0.000 1.040 248 R CB 1.106 31.389 30.300 -0.029 0.000 1.152 248 R HN 0.243 nan 8.270 nan 0.000 0.503 249 Q N 1.350 120.901 119.800 -0.414 0.000 2.394 249 Q HA 0.063 4.403 4.340 -0.001 0.000 0.248 249 Q C 1.455 177.057 176.000 -0.664 0.000 0.992 249 Q CA 0.082 55.434 55.803 -0.750 0.000 0.888 249 Q CB 0.848 28.659 28.738 -1.545 0.000 1.257 249 Q HN 0.849 nan 8.270 nan 0.000 0.462 250 I N -2.165 118.121 120.570 -0.473 0.000 2.567 250 I HA -0.146 4.024 4.170 -0.001 0.000 0.257 250 I C 1.292 177.359 176.117 -0.083 0.000 1.184 250 I CA 1.216 62.408 61.300 -0.180 0.000 1.451 250 I CB -0.356 37.636 38.000 -0.013 0.000 1.089 250 I HN 0.667 nan 8.210 nan 0.000 0.441 251 W N 1.291 122.654 121.300 0.104 0.000 3.278 251 W HA 0.357 5.016 4.660 -0.001 0.000 0.308 251 W C 0.260 176.859 176.519 0.132 0.000 1.253 251 W CA -0.632 56.835 57.345 0.204 0.000 1.759 251 W CB -0.672 28.999 29.460 0.351 0.000 1.093 251 W HN -0.060 nan 8.180 nan 0.000 0.648 252 D N 1.924 122.101 120.400 -0.372 0.000 2.422 252 D HA -0.029 4.610 4.640 -0.001 0.000 0.227 252 D C 1.020 177.300 176.300 -0.034 0.000 1.190 252 D CA 0.172 54.062 54.000 -0.184 0.000 0.905 252 D CB 0.301 40.887 40.800 -0.356 0.000 1.034 252 D HN 0.080 nan 8.370 nan 0.000 0.507 253 N N 3.830 122.571 118.700 0.068 0.000 2.216 253 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 253 N C 1.436 176.967 175.510 0.035 0.000 1.017 253 N CA 1.194 54.275 53.050 0.052 0.000 0.861 253 N CB 0.132 38.670 38.487 0.085 0.000 0.986 253 N HN 0.364 nan 8.380 nan 0.000 0.428 254 K N -1.350 119.076 120.400 0.043 0.000 2.137 254 K HA 0.094 4.413 4.320 -0.001 0.000 0.202 254 K C 0.649 177.264 176.600 0.024 0.000 1.052 254 K CA 1.059 57.368 56.287 0.036 0.000 0.961 254 K CB 0.032 32.558 32.500 0.043 0.000 0.741 254 K HN 0.246 nan 8.250 nan 0.000 0.452 255 G N 0.755 109.562 108.800 0.011 0.000 2.163 255 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.213 255 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.213 255 G C 0.126 175.028 174.900 0.004 0.000 0.991 255 G CA 0.319 45.422 45.100 0.006 0.000 0.653 255 G HN 0.365 nan 8.290 nan 0.000 0.518 256 D N 0.730 121.134 120.400 0.006 0.000 2.310 256 D HA -0.025 4.614 4.640 -0.001 0.000 0.212 256 D C 2.569 178.856 176.300 -0.021 0.000 0.965 256 D CA 1.729 55.730 54.000 0.001 0.000 0.879 256 D CB -0.226 40.582 40.800 0.013 0.000 0.921 256 D HN 0.671 nan 8.370 nan 0.000 0.510 257 T N -2.076 112.454 114.554 -0.039 0.000 3.113 257 T HA 0.298 4.648 4.350 -0.001 0.000 0.256 257 T C 0.985 175.644 174.700 -0.069 0.000 1.131 257 T CA -0.070 61.985 62.100 -0.075 0.000 1.074 257 T CB -0.006 68.797 68.868 -0.110 0.000 0.944 257 T HN 0.065 nan 8.240 nan 0.000 0.516 258 A N 1.422 124.228 122.820 -0.024 0.000 2.540 258 A HA 0.550 4.870 4.320 -0.001 0.000 0.239 258 A C -0.278 177.325 177.584 0.031 0.000 1.061 258 A CA -0.329 51.725 52.037 0.029 0.000 0.758 258 A CB -0.124 18.917 19.000 0.069 0.000 0.991 258 A HN 0.543 nan 8.150 nan 0.000 0.502 259 L N 2.823 124.084 121.223 0.063 0.000 2.409 259 L HA 0.559 4.899 4.340 -0.001 0.000 0.272 259 L C -0.646 176.283 176.870 0.099 0.000 0.980 259 L CA -0.558 54.315 54.840 0.055 0.000 0.826 259 L CB 1.438 43.493 42.059 -0.006 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.843 123.753 119.950 -0.067 0.000 2.578 260 F HA 0.397 4.923 4.527 -0.001 0.000 0.381 260 F C 0.039 175.724 175.800 -0.192 0.000 1.069 260 F CA 0.787 58.716 58.000 -0.119 0.000 1.231 260 F CB 0.468 39.411 39.000 -0.095 0.000 1.086 260 F HN 0.560 nan 8.300 nan 0.000 0.564 261 T N 5.325 119.316 114.554 -0.939 0.000 2.861 261 T HA 0.203 4.552 4.350 -0.001 0.000 0.287 261 T C -1.634 172.445 174.700 -1.035 0.000 1.003 261 T CA -0.480 61.151 62.100 -0.782 0.000 0.977 261 T CB 0.906 69.313 68.868 -0.768 0.000 0.996 261 T HN 0.617 nan 8.240 nan 0.000 0.448 262 H N 2.816 121.587 119.070 -0.497 0.000 2.551 262 H HA 0.620 5.175 4.556 -0.001 0.000 0.321 262 H C -0.383 174.758 175.328 -0.312 0.000 1.028 262 H CA -0.742 55.124 56.048 -0.303 0.000 1.215 262 H CB 0.738 30.543 29.762 0.071 0.000 1.414 262 H HN 0.475 nan 8.280 nan 0.000 0.480 263 M N 6.913 126.190 119.600 -0.538 0.000 2.157 263 M HA 0.289 4.768 4.480 -0.001 0.000 0.354 263 M C -0.922 175.139 176.300 -0.399 0.000 1.170 263 M CA -0.557 54.501 55.300 -0.403 0.000 1.060 263 M CB 0.640 33.056 32.600 -0.306 0.000 1.615 263 M HN 0.672 nan 8.290 nan 0.000 0.460 264 M N 6.756 126.218 119.600 -0.231 0.000 2.243 264 M HA 0.209 4.688 4.480 -0.001 0.000 0.341 264 M C -1.631 174.539 176.300 -0.217 0.000 1.130 264 M CA -1.306 53.902 55.300 -0.153 0.000 1.162 264 M CB 0.415 32.948 32.600 -0.113 0.000 1.497 264 M HN 0.471 nan 8.290 nan 0.000 0.456 265 P HA 0.129 nan 4.420 nan 0.000 0.245 265 P C -0.380 176.734 177.300 -0.311 0.000 1.199 265 P CA 0.863 63.656 63.100 -0.511 0.000 0.807 265 P CB 0.353 31.421 31.700 -1.054 0.000 1.002 266 F N -1.945 118.018 119.950 0.022 0.000 2.611 266 F HA 0.308 4.835 4.527 -0.001 0.000 0.374 266 F C 1.968 177.864 175.800 0.160 0.000 1.110 266 F CA -1.432 56.620 58.000 0.086 0.000 1.090 266 F CB -0.837 38.151 39.000 -0.021 0.000 1.388 266 F HN -0.313 nan 8.300 nan 0.000 0.501 267 Y N 0.093 120.552 120.300 0.264 0.000 2.373 267 Y HA 0.118 4.668 4.550 -0.001 0.000 0.293 267 Y C 0.903 176.736 175.900 -0.111 0.000 1.129 267 Y CA 1.308 59.423 58.100 0.025 0.000 1.226 267 Y CB 0.076 38.450 38.460 -0.144 0.000 1.000 267 Y HN 0.367 nan 8.280 nan 0.000 0.549 268 S N -1.681 113.880 115.700 -0.231 0.000 2.651 268 S HA 0.255 4.724 4.470 -0.001 0.000 0.279 268 S C -0.377 174.174 174.600 -0.081 0.000 1.148 268 S CA -0.370 57.602 58.200 -0.381 0.000 0.837 268 S CB 0.331 63.233 63.200 -0.497 0.000 1.138 268 S HN 0.296 nan 8.310 nan 0.000 0.478 269 Y N 0.870 121.131 120.300 -0.065 0.000 2.466 269 Y HA 0.320 4.870 4.550 -0.001 0.000 0.272 269 Y C 0.381 176.369 175.900 0.147 0.000 1.169 269 Y CA -0.608 57.487 58.100 -0.008 0.000 1.285 269 Y CB -1.017 37.353 38.460 -0.150 0.000 1.078 269 Y HN 0.553 nan 8.280 nan 0.000 0.523 270 D N 0.572 121.027 120.400 0.092 0.000 2.371 270 D HA -0.009 4.630 4.640 -0.001 0.000 0.242 270 D C 1.225 177.666 176.300 0.234 0.000 1.218 270 D CA -0.431 53.689 54.000 0.199 0.000 0.945 270 D CB 0.839 41.713 40.800 0.123 0.000 1.137 270 D HN 0.247 nan 8.370 nan 0.000 0.464 271 I N -0.144 120.536 120.570 0.183 0.000 2.226 271 I HA -0.157 4.013 4.170 -0.001 0.000 0.245 271 I C -0.749 175.412 176.117 0.073 0.000 1.100 271 I CA 0.881 62.272 61.300 0.151 0.000 1.374 271 I CB -1.184 36.890 38.000 0.124 0.000 1.057 271 I HN 0.351 nan 8.210 nan 0.000 0.413 272 P HA -0.164 nan 4.420 nan 0.000 0.219 272 P C 0.613 177.616 177.300 -0.495 0.000 1.146 272 P CA 1.635 64.562 63.100 -0.287 0.000 0.808 272 P CB -0.112 31.417 31.700 -0.284 0.000 0.779 273 H N -3.040 116.038 119.070 0.014 0.000 2.486 273 H HA 0.220 4.775 4.556 -0.001 0.000 0.284 273 H C 0.903 176.338 175.328 0.179 0.000 1.103 273 H CA 0.605 56.674 56.048 0.035 0.000 1.089 273 H CB -0.228 29.622 29.762 0.147 0.000 1.603 273 H HN 0.112 nan 8.280 nan 0.000 0.557 274 T N -4.233 110.446 114.554 0.209 0.000 3.016 274 T HA -0.021 4.329 4.350 -0.001 0.000 0.271 274 T C 1.793 176.620 174.700 0.213 0.000 0.968 274 T CA 0.353 62.602 62.100 0.248 0.000 0.891 274 T CB -0.695 68.309 68.868 0.227 0.000 1.149 274 T HN 0.506 nan 8.240 nan 0.000 0.524 275 c N 1.556 120.250 118.600 0.157 0.000 2.533 275 c HA 0.707 5.277 4.570 -0.001 0.000 0.272 275 c C 1.330 175.548 174.090 0.214 0.000 1.371 275 c CA 0.427 56.889 56.329 0.221 0.000 1.758 275 c CB -1.140 41.466 42.510 0.159 0.000 1.972 275 c HN 0.884 nan 8.230 nan 0.000 0.522 276 G N -0.375 108.473 108.800 0.079 0.000 2.315 276 G HA2 0.381 4.341 3.960 -0.001 0.000 0.294 276 G HA3 0.381 4.341 3.960 -0.001 0.000 0.294 276 G C -2.781 171.724 174.900 -0.659 0.000 1.300 276 G CA 0.217 45.289 45.100 -0.047 0.000 0.843 276 G HN -0.108 nan 8.290 nan 0.000 0.527 277 P HA 0.119 nan 4.420 nan 0.000 0.236 277 P C -0.146 176.729 177.300 -0.709 0.000 1.177 277 P CA 0.986 63.377 63.100 -1.183 0.000 0.773 277 P CB 0.397 31.743 31.700 -0.589 0.000 0.878 278 D N 0.845 120.942 120.400 -0.504 0.000 2.460 278 D HA 0.149 4.789 4.640 -0.001 0.000 0.232 278 D C -1.562 174.395 176.300 -0.571 0.000 1.079 278 D CA -2.595 51.155 54.000 -0.416 0.000 0.864 278 D CB 1.381 42.022 40.800 -0.265 0.000 1.048 278 D HN -0.027 nan 8.370 nan 0.000 0.523 279 P HA -0.131 nan 4.420 nan 0.000 0.223 279 P C 1.237 177.722 177.300 -1.358 0.000 1.151 279 P CA 0.631 62.986 63.100 -1.242 0.000 0.787 279 P CB 0.491 31.149 31.700 -1.737 0.000 0.788 280 K N 0.358 120.089 120.400 -1.115 0.000 2.147 280 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 280 K C 1.751 178.165 176.600 -0.311 0.000 1.049 280 K CA 1.155 57.094 56.287 -0.579 0.000 0.936 280 K CB -0.212 32.131 32.500 -0.261 0.000 0.722 280 K HN -0.055 nan 8.250 nan 0.000 0.446 281 V N 0.379 120.117 119.914 -0.293 0.000 2.379 281 V HA -0.230 3.889 4.120 -0.001 0.000 0.243 281 V C 2.435 178.497 176.094 -0.054 0.000 1.035 281 V CA 1.352 63.573 62.300 -0.131 0.000 1.035 281 V CB -0.354 31.412 31.823 -0.095 0.000 0.673 281 V HN 0.465 nan 8.190 nan 0.000 0.457 282 c N -0.635 117.863 118.600 -0.170 0.000 2.413 282 c HA -0.211 4.358 4.570 -0.001 0.000 0.277 282 c C 2.998 177.055 174.090 -0.055 0.000 1.265 282 c CA 0.877 57.167 56.329 -0.065 0.000 1.752 282 c CB -1.466 40.925 42.510 -0.198 0.000 1.998 282 c HN 0.762 nan 8.230 nan 0.000 0.489 283 c N 0.794 119.275 118.600 -0.200 0.000 2.410 283 c HA -0.155 4.414 4.570 -0.001 0.000 0.281 283 c C 2.598 176.578 174.090 -0.184 0.000 1.318 283 c CA 1.266 57.527 56.329 -0.113 0.000 1.776 283 c CB -1.477 41.043 42.510 0.016 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.402 118.231 119.800 -0.279 0.000 2.488 284 Q HA -0.009 4.330 4.340 -0.001 0.000 0.211 284 Q C 0.653 175.990 176.000 -1.106 0.000 0.967 284 Q CA 0.965 56.412 55.803 -0.594 0.000 0.926 284 Q CB -0.015 28.348 28.738 -0.625 0.000 0.992 284 Q HN 0.746 nan 8.270 nan 0.000 0.506 285 F N -0.299 119.362 119.950 -0.482 0.000 2.668 285 F HA 0.172 4.698 4.527 -0.001 0.000 0.301 285 F C 0.218 175.744 175.800 -0.456 0.000 1.106 285 F CA -0.593 57.024 58.000 -0.638 0.000 1.289 285 F CB 0.768 39.638 39.000 -0.218 0.000 1.006 285 F HN -0.145 nan 8.300 nan 0.000 0.535 286 D N 0.110 120.294 120.400 -0.360 0.000 2.467 286 D HA 0.137 4.777 4.640 -0.001 0.000 0.220 286 D C 0.475 176.596 176.300 -0.298 0.000 1.103 286 D CA -0.330 53.568 54.000 -0.171 0.000 0.886 286 D CB 0.150 40.905 40.800 -0.076 0.000 1.025 286 D HN 0.083 nan 8.370 nan 0.000 0.514 287 F N 1.790 121.744 119.950 0.008 0.000 2.802 287 F HA 0.100 4.626 4.527 -0.001 0.000 0.300 287 F C 2.326 178.073 175.800 -0.088 0.000 1.168 287 F CA 0.289 58.269 58.000 -0.033 0.000 1.433 287 F CB 0.082 39.084 39.000 0.005 0.000 1.115 287 F HN 0.262 nan 8.300 nan 0.000 0.582 288 K N 0.654 120.986 120.400 -0.112 0.000 2.487 288 K HA 0.048 4.368 4.320 -0.001 0.000 0.192 288 K C 1.120 177.679 176.600 -0.068 0.000 1.027 288 K CA 0.283 56.366 56.287 -0.339 0.000 1.054 288 K CB 0.124 32.282 32.500 -0.570 0.000 0.824 288 K HN 0.194 nan 8.250 nan 0.000 0.510 289 R N 0.050 120.537 120.500 -0.020 0.000 2.586 289 R HA 0.199 4.539 4.340 -0.001 0.000 0.306 289 R C 0.919 177.247 176.300 0.045 0.000 1.079 289 R CA -0.159 55.952 56.100 0.019 0.000 1.083 289 R CB 0.239 30.527 30.300 -0.021 0.000 1.306 289 R HN 0.186 nan 8.270 nan 0.000 0.567 290 M N -1.174 118.490 119.600 0.106 0.000 2.502 290 M HA 0.172 4.651 4.480 -0.001 0.000 0.243 290 M C 1.178 177.518 176.300 0.068 0.000 1.130 290 M CA 0.821 56.167 55.300 0.077 0.000 1.055 290 M CB 0.894 33.550 32.600 0.093 0.000 1.457 290 M HN 0.477 nan 8.290 nan 0.000 0.488 291 G N -0.103 108.754 108.800 0.096 0.000 3.288 291 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.195 291 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.195 291 G C 0.998 175.906 174.900 0.013 0.000 1.093 291 G CA 0.236 45.364 45.100 0.046 0.000 0.852 291 G HN 0.405 nan 8.290 nan 0.000 0.453 292 S N 0.267 115.935 115.700 -0.053 0.000 2.474 292 S HA 0.214 4.684 4.470 -0.001 0.000 0.235 292 S C 1.709 176.121 174.600 -0.314 0.000 0.997 292 S CA 1.432 59.501 58.200 -0.218 0.000 0.949 292 S CB -0.418 62.570 63.200 -0.352 0.000 0.766 292 S HN 0.334 nan 8.310 nan 0.000 0.517 293 F N 1.879 121.825 119.950 -0.008 0.000 2.765 293 F HA 0.427 4.954 4.527 -0.001 0.000 0.302 293 F C 1.884 177.679 175.800 -0.008 0.000 1.111 293 F CA -0.107 57.887 58.000 -0.010 0.000 1.359 293 F CB -0.243 38.748 39.000 -0.014 0.000 1.097 293 F HN 0.355 nan 8.300 nan 0.000 0.577 294 G N 1.186 110.056 108.800 0.118 0.000 2.160 294 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.251 294 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.251 294 G C -0.102 174.846 174.900 0.081 0.000 1.008 294 G CA 0.109 45.253 45.100 0.074 0.000 0.724 294 G HN 0.316 nan 8.290 nan 0.000 0.514 295 L N 0.017 121.302 121.223 0.105 0.000 2.323 295 L HA 0.875 5.215 4.340 -0.001 0.000 0.265 295 L C 0.513 177.415 176.870 0.053 0.000 1.012 295 L CA -0.401 54.482 54.840 0.072 0.000 0.820 295 L CB 2.338 44.438 42.059 0.067 0.000 1.334 295 L HN 0.456 nan 8.230 nan 0.000 0.427 296 S N -0.824 114.894 115.700 0.030 0.000 2.656 296 S HA 0.517 4.986 4.470 -0.001 0.000 0.273 296 S C -1.287 173.324 174.600 0.019 0.000 1.168 296 S CA -0.814 57.396 58.200 0.016 0.000 0.817 296 S CB 1.591 64.791 63.200 0.000 0.000 1.146 296 S HN 0.521 nan 8.310 nan 0.000 0.475 297 c N 3.017 121.633 118.600 0.027 0.000 2.255 297 c HA 0.551 5.121 4.570 -0.001 0.000 0.326 297 c C -1.108 172.976 174.090 -0.011 0.000 1.258 297 c CA -1.182 55.201 56.329 0.091 0.000 1.676 297 c CB 0.753 43.348 42.510 0.141 0.000 2.314 297 c HN 0.761 nan 8.230 nan 0.000 0.509 298 P HA -0.081 nan 4.420 nan 0.000 0.225 298 P C 1.069 178.075 177.300 -0.491 0.000 1.148 298 P CA 1.252 64.072 63.100 -0.466 0.000 0.779 298 P CB 0.067 31.312 31.700 -0.758 0.000 0.780 299 W N 0.320 121.596 121.300 -0.039 0.000 3.256 299 W HA 0.202 4.861 4.660 -0.001 0.000 0.269 299 W C 0.678 177.169 176.519 -0.047 0.000 1.310 299 W CA 0.035 57.353 57.345 -0.046 0.000 1.673 299 W CB -0.440 28.984 29.460 -0.060 0.000 1.115 299 W HN 0.127 nan 8.180 nan 0.000 0.686 300 K N -1.096 119.361 120.400 0.094 0.000 3.512 300 K HA -0.173 4.146 4.320 -0.001 0.000 0.309 300 K C -0.337 176.284 176.600 0.034 0.000 1.350 300 K CA 0.538 56.846 56.287 0.036 0.000 0.960 300 K CB -1.880 30.629 32.500 0.015 0.000 1.290 300 K HN -0.121 nan 8.250 nan 0.000 0.454 301 V N 2.008 121.953 119.914 0.052 0.000 2.350 301 V HA 0.312 4.432 4.120 -0.001 0.000 0.285 301 V C -1.909 174.167 176.094 -0.029 0.000 1.014 301 V CA -1.579 60.721 62.300 0.000 0.000 0.831 301 V CB 1.312 33.127 31.823 -0.014 0.000 1.000 301 V HN -0.044 nan 8.190 nan 0.000 0.433 302 P HA 0.410 nan 4.420 nan 0.000 0.276 302 P C -2.818 174.389 177.300 -0.155 0.000 1.252 302 P CA -2.133 60.923 63.100 -0.074 0.000 0.802 302 P CB 0.079 31.751 31.700 -0.047 0.000 1.035 303 P HA 0.255 nan 4.420 nan 0.000 0.272 303 P C -0.375 176.819 177.300 -0.176 0.000 1.223 303 P CA 0.127 63.018 63.100 -0.348 0.000 0.784 303 P CB 0.584 32.023 31.700 -0.436 0.000 0.923 304 R N 0.434 120.839 120.500 -0.159 0.000 2.599 304 R HA 0.412 4.752 4.340 -0.001 0.000 0.295 304 R C -0.259 176.101 176.300 0.101 0.000 0.963 304 R CA -0.678 55.404 56.100 -0.029 0.000 0.883 304 R CB 1.204 31.464 30.300 -0.067 0.000 1.171 304 R HN 0.350 nan 8.270 nan 0.000 0.450 305 T N 4.006 118.615 114.554 0.091 0.000 2.905 305 T HA 0.012 4.362 4.350 -0.001 0.000 0.299 305 T C 0.757 175.451 174.700 -0.011 0.000 1.024 305 T CA 0.204 62.333 62.100 0.048 0.000 1.151 305 T CB 0.100 68.975 68.868 0.011 0.000 0.987 305 T HN 0.199 nan 8.240 nan 0.000 0.535 306 I N 4.127 124.642 120.570 -0.091 0.000 2.496 306 I HA 0.233 4.403 4.170 -0.001 0.000 0.285 306 I C 0.995 177.061 176.117 -0.084 0.000 1.080 306 I CA 0.072 61.315 61.300 -0.094 0.000 1.404 306 I CB 0.178 38.081 38.000 -0.162 0.000 1.403 306 I HN 0.750 nan 8.210 nan 0.000 0.539 307 S N 3.866 119.528 115.700 -0.064 0.000 2.667 307 S HA 0.431 4.901 4.470 -0.001 0.000 0.292 307 S C 0.391 174.958 174.600 -0.056 0.000 1.126 307 S CA -0.784 57.386 58.200 -0.050 0.000 0.881 307 S CB 2.214 65.392 63.200 -0.037 0.000 1.132 307 S HN 0.513 nan 8.310 nan 0.000 0.492 308 D N 0.714 121.090 120.400 -0.040 0.000 2.221 308 D HA -0.147 4.492 4.640 -0.001 0.000 0.204 308 D C 1.670 177.942 176.300 -0.047 0.000 0.982 308 D CA 1.553 55.530 54.000 -0.038 0.000 0.857 308 D CB -0.154 40.639 40.800 -0.012 0.000 0.934 308 D HN 0.801 nan 8.370 nan 0.000 0.475 309 Q N 0.765 120.542 119.800 -0.038 0.000 2.432 309 Q HA -0.081 4.259 4.340 -0.001 0.000 0.205 309 Q C 0.881 176.856 176.000 -0.042 0.000 0.945 309 Q CA 0.809 56.592 55.803 -0.033 0.000 0.924 309 Q CB 0.185 28.910 28.738 -0.022 0.000 1.016 309 Q HN 0.211 nan 8.270 nan 0.000 0.503 310 N N -1.043 117.624 118.700 -0.055 0.000 2.181 310 N HA -0.070 4.670 4.740 -0.001 0.000 0.207 310 N C 1.312 176.773 175.510 -0.082 0.000 1.182 310 N CA 0.404 53.422 53.050 -0.053 0.000 0.893 310 N CB -0.099 38.364 38.487 -0.041 0.000 1.032 310 N HN 0.046 nan 8.380 nan 0.000 0.513 311 V N 0.553 120.383 119.914 -0.140 0.000 2.490 311 V HA -0.060 4.059 4.120 -0.001 0.000 0.250 311 V C 2.229 178.124 176.094 -0.332 0.000 1.061 311 V CA 2.031 64.196 62.300 -0.225 0.000 1.064 311 V CB -0.858 30.800 31.823 -0.274 0.000 0.670 311 V HN 0.439 nan 8.190 nan 0.000 0.461 312 A N -0.193 122.420 122.820 -0.344 0.000 1.873 312 A HA -0.019 4.301 4.320 -0.001 0.000 0.215 312 A C 2.424 180.057 177.584 0.082 0.000 1.186 312 A CA 2.070 54.039 52.037 -0.113 0.000 0.616 312 A CB -0.989 18.029 19.000 0.031 0.000 0.823 312 A HN 0.787 nan 8.150 nan 0.000 0.442 313 A N -0.450 122.387 122.820 0.028 0.000 1.898 313 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 313 A C 2.241 179.865 177.584 0.066 0.000 1.181 313 A CA 1.326 53.394 52.037 0.053 0.000 0.620 313 A CB -0.432 18.580 19.000 0.021 0.000 0.819 313 A HN 0.416 nan 8.150 nan 0.000 0.442 314 R N 0.119 120.649 120.500 0.051 0.000 2.081 314 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 314 R C 2.427 178.775 176.300 0.081 0.000 1.131 314 R CA 1.595 57.778 56.100 0.138 0.000 0.960 314 R CB -1.022 29.357 30.300 0.131 0.000 0.856 314 R HN 0.529 nan 8.270 nan 0.000 0.436 315 S N 1.366 117.065 115.700 -0.002 0.000 2.368 315 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 315 S C 1.354 175.861 174.600 -0.156 0.000 1.030 315 S CA 1.363 59.471 58.200 -0.152 0.000 0.999 315 S CB -0.261 62.970 63.200 0.053 0.000 0.844 315 S HN 0.259 nan 8.310 nan 0.000 0.459 316 D N 1.578 122.069 120.400 0.150 0.000 2.127 316 D HA -0.123 4.516 4.640 -0.001 0.000 0.190 316 D C 1.895 178.211 176.300 0.026 0.000 1.000 316 D CA 1.046 55.175 54.000 0.215 0.000 0.839 316 D CB -0.509 40.402 40.800 0.185 0.000 0.955 316 D HN 0.276 nan 8.370 nan 0.000 0.446 317 L N -0.194 121.020 121.223 -0.015 0.000 2.046 317 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 317 L C 2.397 179.104 176.870 -0.272 0.000 1.077 317 L CA 0.489 55.299 54.840 -0.051 0.000 0.747 317 L CB -0.186 41.917 42.059 0.073 0.000 0.896 317 L HN 0.085 nan 8.230 nan 0.000 0.432 318 L N -1.009 119.876 121.223 -0.563 0.000 2.044 318 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 318 L C 2.303 178.481 176.870 -1.154 0.000 1.075 318 L CA 1.532 55.688 54.840 -1.140 0.000 0.747 318 L CB -0.304 40.766 42.059 -1.648 0.000 0.903 318 L HN -0.088 nan 8.230 nan 0.000 0.435 319 V N -0.072 119.314 119.914 -0.880 0.000 2.407 319 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 319 V C 2.307 178.242 176.094 -0.265 0.000 1.055 319 V CA 1.844 63.792 62.300 -0.587 0.000 1.049 319 V CB -0.759 30.764 31.823 -0.499 0.000 0.662 319 V HN 0.543 nan 8.190 nan 0.000 0.455 320 D N -0.464 119.839 120.400 -0.160 0.000 2.106 320 D HA -0.223 4.416 4.640 -0.001 0.000 0.191 320 D C 2.269 178.535 176.300 -0.057 0.000 0.997 320 D CA 1.495 55.497 54.000 0.003 0.000 0.834 320 D CB -0.050 40.792 40.800 0.070 0.000 0.956 320 D HN 0.303 nan 8.370 nan 0.000 0.448 321 Q N -0.583 119.121 119.800 -0.159 0.000 2.061 321 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 321 Q C 2.287 178.303 176.000 0.027 0.000 0.984 321 Q CA 1.050 56.786 55.803 -0.111 0.000 0.846 321 Q CB -0.666 27.949 28.738 -0.204 0.000 0.902 321 Q HN 0.556 nan 8.270 nan 0.000 0.421 322 W N 1.436 122.629 121.300 -0.178 0.000 2.338 322 W HA -0.116 4.543 4.660 -0.001 0.000 0.304 322 W C 2.113 178.511 176.519 -0.202 0.000 1.212 322 W CA 0.807 58.046 57.345 -0.177 0.000 1.264 322 W CB -0.705 28.622 29.460 -0.222 0.000 1.142 322 W HN 0.225 nan 8.180 nan 0.000 0.512 323 K N 0.120 120.468 120.400 -0.087 0.000 2.148 323 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 323 K C 1.955 178.390 176.600 -0.276 0.000 1.050 323 K CA 1.173 57.254 56.287 -0.343 0.000 0.942 323 K CB -0.195 31.802 32.500 -0.838 0.000 0.724 323 K HN 0.071 nan 8.250 nan 0.000 0.446 324 K N 1.019 121.334 120.400 -0.140 0.000 2.026 324 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 324 K C 2.104 178.768 176.600 0.106 0.000 1.048 324 K CA 1.272 57.608 56.287 0.082 0.000 0.929 324 K CB -0.034 32.534 32.500 0.113 0.000 0.713 324 K HN 0.009 nan 8.250 nan 0.000 0.439 325 K N 0.811 121.281 120.400 0.117 0.000 2.063 325 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 325 K C 2.032 178.754 176.600 0.204 0.000 1.048 325 K CA 1.384 57.770 56.287 0.165 0.000 0.928 325 K CB -0.123 32.493 32.500 0.194 0.000 0.713 325 K HN 0.160 nan 8.250 nan 0.000 0.442 326 A N 1.124 124.047 122.820 0.171 0.000 2.070 326 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 326 A C 1.703 179.455 177.584 0.280 0.000 1.159 326 A CA 1.301 53.478 52.037 0.233 0.000 0.656 326 A CB -0.314 18.788 19.000 0.170 0.000 0.800 326 A HN 0.315 nan 8.150 nan 0.000 0.453 327 E N 0.039 120.379 120.200 0.234 0.000 2.265 327 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 327 E C 1.599 178.324 176.600 0.208 0.000 0.996 327 E CA 0.675 57.222 56.400 0.245 0.000 0.832 327 E CB -0.234 29.636 29.700 0.283 0.000 0.756 327 E HN 0.727 nan 8.360 nan 0.000 0.491 328 L N -0.614 120.689 121.223 0.133 0.000 2.554 328 L HA 0.038 4.378 4.340 -0.001 0.000 0.226 328 L C 0.226 176.885 176.870 -0.351 0.000 1.137 328 L CA 0.277 55.062 54.840 -0.092 0.000 0.863 328 L CB -0.079 41.805 42.059 -0.291 0.000 0.985 328 L HN -0.006 nan 8.230 nan 0.000 0.451 329 Y N -1.680 118.703 120.300 0.138 0.000 2.633 329 Y HA 0.379 4.929 4.550 -0.001 0.000 0.339 329 Y C 1.097 177.109 175.900 0.187 0.000 1.045 329 Y CA -0.981 57.220 58.100 0.168 0.000 1.098 329 Y CB 1.248 39.818 38.460 0.182 0.000 1.296 329 Y HN -0.288 nan 8.280 nan 0.000 0.494 330 R N -0.526 120.207 120.500 0.390 0.000 2.254 330 R HA 0.086 4.426 4.340 -0.001 0.000 0.195 330 R C 0.350 176.772 176.300 0.204 0.000 0.957 330 R CA 0.761 56.999 56.100 0.230 0.000 1.024 330 R CB 0.286 30.659 30.300 0.122 0.000 0.952 330 R HN 0.763 nan 8.270 nan 0.000 0.484 331 T N -0.985 113.734 114.554 0.275 0.000 2.922 331 T HA 0.103 4.453 4.350 -0.001 0.000 0.281 331 T C 0.632 175.460 174.700 0.214 0.000 1.005 331 T CA -0.926 61.301 62.100 0.211 0.000 0.982 331 T CB 1.219 70.198 68.868 0.185 0.000 1.158 331 T HN 0.073 nan 8.240 nan 0.000 0.566 332 N N 0.036 118.831 118.700 0.159 0.000 2.295 332 N HA 0.139 4.878 4.740 -0.001 0.000 0.221 332 N C -0.713 174.807 175.510 0.017 0.000 1.129 332 N CA -0.357 52.751 53.050 0.097 0.000 0.836 332 N CB -0.112 38.312 38.487 -0.105 0.000 1.040 332 N HN 0.376 nan 8.380 nan 0.000 0.494 333 V N 1.302 121.252 119.914 0.061 0.000 2.409 333 V HA 0.425 4.544 4.120 -0.001 0.000 0.291 333 V C -0.663 175.532 176.094 0.168 0.000 1.020 333 V CA -0.963 61.376 62.300 0.064 0.000 0.848 333 V CB 1.551 33.382 31.823 0.014 0.000 0.990 333 V HN 0.171 nan 8.190 nan 0.000 0.430 334 L N 5.679 126.947 121.223 0.075 0.000 2.341 334 L HA 0.698 5.038 4.340 -0.001 0.000 0.278 334 L C -0.889 175.860 176.870 -0.202 0.000 1.005 334 L CA -0.507 54.291 54.840 -0.072 0.000 0.818 334 L CB 1.704 43.622 42.059 -0.235 0.000 1.259 334 L HN 0.630 nan 8.230 nan 0.000 0.418 335 L N 6.319 127.202 121.223 -0.566 0.000 2.264 335 L HA 0.555 4.895 4.340 -0.001 0.000 0.289 335 L C -1.030 175.551 176.870 -0.481 0.000 1.044 335 L CA 0.116 54.463 54.840 -0.822 0.000 0.807 335 L CB 0.761 41.848 42.059 -1.621 0.000 1.192 335 L HN 0.431 nan 8.230 nan 0.000 0.425 336 I N 7.480 127.848 120.570 -0.337 0.000 2.502 336 I HA 0.334 4.503 4.170 -0.001 0.000 0.276 336 I C -2.275 173.817 176.117 -0.042 0.000 1.057 336 I CA -2.027 59.166 61.300 -0.178 0.000 1.163 336 I CB 1.011 38.870 38.000 -0.235 0.000 1.288 336 I HN 0.419 nan 8.210 nan 0.000 0.479 337 P HA 0.127 nan 4.420 nan 0.000 0.268 337 P C -0.423 177.056 177.300 0.299 0.000 1.205 337 P CA -0.192 63.038 63.100 0.217 0.000 0.771 337 P CB 0.806 32.670 31.700 0.274 0.000 0.858 338 L N 3.191 124.632 121.223 0.362 0.000 2.454 338 L HA 0.758 5.097 4.340 -0.001 0.000 0.258 338 L C -0.062 176.888 176.870 0.135 0.000 1.025 338 L CA 0.395 55.373 54.840 0.229 0.000 0.901 338 L CB 0.460 42.586 42.059 0.112 0.000 1.210 338 L HN 0.620 nan 8.230 nan 0.000 0.457 339 G N 1.697 110.460 108.800 -0.062 0.000 2.342 339 G HA2 0.471 4.430 3.960 -0.001 0.000 0.297 339 G HA3 0.471 4.430 3.960 -0.001 0.000 0.297 339 G C -2.188 172.598 174.900 -0.189 0.000 1.313 339 G CA -0.223 44.603 45.100 -0.457 0.000 0.830 339 G HN 0.390 nan 8.290 nan 0.000 0.506 340 D N -1.797 118.553 120.400 -0.083 0.000 2.879 340 D HA 0.302 4.941 4.640 -0.001 0.000 0.346 340 D C -1.553 174.885 176.300 0.230 0.000 1.390 340 D CA -0.450 53.677 54.000 0.211 0.000 0.838 340 D CB 1.363 42.239 40.800 0.127 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.339 120.934 120.400 0.324 0.000 2.417 341 D HA 0.232 4.871 4.640 -0.001 0.000 0.250 341 D C 0.189 176.662 176.300 0.287 0.000 1.166 341 D CA 0.454 54.646 54.000 0.319 0.000 0.881 341 D CB -0.238 40.852 40.800 0.482 0.000 1.164 341 D HN 0.338 nan 8.370 nan 0.000 0.467 342 F N 0.325 120.352 119.950 0.128 0.000 3.079 342 F HA -0.309 4.218 4.527 -0.001 0.000 0.274 342 F C 1.110 176.955 175.800 0.074 0.000 0.940 342 F CA 0.603 58.652 58.000 0.082 0.000 0.932 342 F CB -0.943 38.096 39.000 0.065 0.000 0.891 342 F HN 0.216 nan 8.300 nan 0.000 0.722 343 R N -0.480 120.110 120.500 0.150 0.000 2.652 343 R HA 0.459 4.798 4.340 -0.001 0.000 0.271 343 R C 0.724 177.058 176.300 0.055 0.000 1.129 343 R CA -0.701 55.372 56.100 -0.045 0.000 1.200 343 R CB -0.093 30.062 30.300 -0.242 0.000 1.146 343 R HN 0.197 nan 8.270 nan 0.000 0.581 344 F N -0.854 118.936 119.950 -0.268 0.000 3.071 344 F HA -0.281 4.246 4.527 -0.001 0.000 0.295 344 F C 1.331 177.094 175.800 -0.062 0.000 0.919 344 F CA 1.028 58.679 58.000 -0.583 0.000 1.050 344 F CB -1.168 37.213 39.000 -1.032 0.000 1.040 344 F HN 0.605 nan 8.300 nan 0.000 0.692 345 K N 0.072 120.535 120.400 0.105 0.000 2.057 345 K HA 0.042 4.362 4.320 -0.001 0.000 0.209 345 K C 0.657 177.413 176.600 0.261 0.000 1.028 345 K CA 0.716 57.137 56.287 0.225 0.000 0.950 345 K CB 0.126 32.725 32.500 0.166 0.000 0.784 345 K HN 0.280 nan 8.250 nan 0.000 0.448 346 Q N 1.228 121.141 119.800 0.188 0.000 2.364 346 Q HA 0.049 4.389 4.340 -0.001 0.000 0.267 346 Q C 0.407 176.592 176.000 0.309 0.000 0.999 346 Q CA 0.228 56.164 55.803 0.222 0.000 0.886 346 Q CB 0.843 29.747 28.738 0.277 0.000 1.243 346 Q HN 0.306 nan 8.270 nan 0.000 0.415 347 N N 0.193 119.045 118.700 0.253 0.000 2.137 347 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 347 N C 1.373 177.036 175.510 0.256 0.000 1.017 347 N CA 1.736 54.935 53.050 0.248 0.000 0.859 347 N CB -0.085 38.497 38.487 0.158 0.000 1.002 347 N HN 0.766 nan 8.380 nan 0.000 0.428 348 T N -1.364 113.337 114.554 0.245 0.000 2.833 348 T HA -0.167 4.183 4.350 -0.001 0.000 0.269 348 T C 1.647 176.541 174.700 0.322 0.000 1.054 348 T CA 1.120 63.385 62.100 0.275 0.000 1.135 348 T CB -0.202 68.818 68.868 0.253 0.000 0.869 348 T HN 0.329 nan 8.240 nan 0.000 0.466 349 E N -0.249 120.092 120.200 0.235 0.000 2.072 349 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 349 E C 1.825 178.339 176.600 -0.143 0.000 0.982 349 E CA 0.649 56.967 56.400 -0.137 0.000 0.803 349 E CB -0.261 29.191 29.700 -0.412 0.000 0.755 349 E HN 0.698 nan 8.360 nan 0.000 0.453 350 W N 1.890 123.112 121.300 -0.129 0.000 2.318 350 W HA -0.213 4.446 4.660 -0.001 0.000 0.313 350 W C 2.130 178.510 176.519 -0.232 0.000 1.221 350 W CA 1.414 58.585 57.345 -0.290 0.000 1.266 350 W CB -0.322 28.642 29.460 -0.827 0.000 1.150 350 W HN 0.193 nan 8.180 nan 0.000 0.496 351 D N -0.595 119.902 120.400 0.163 0.000 2.097 351 D HA -0.172 4.468 4.640 -0.001 0.000 0.195 351 D C 2.283 178.678 176.300 0.159 0.000 0.989 351 D CA 1.494 55.636 54.000 0.236 0.000 0.827 351 D CB -1.004 39.934 40.800 0.230 0.000 0.966 351 D HN 0.031 nan 8.370 nan 0.000 0.456 352 V N 0.928 120.919 119.914 0.128 0.000 2.427 352 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 352 V C 2.248 178.378 176.094 0.061 0.000 1.051 352 V CA 1.568 63.924 62.300 0.094 0.000 1.048 352 V CB -0.072 31.854 31.823 0.171 0.000 0.666 352 V HN 0.152 nan 8.190 nan 0.000 0.456 353 Q N -0.340 119.533 119.800 0.122 0.000 2.049 353 Q HA -0.186 4.154 4.340 -0.001 0.000 0.198 353 Q C 2.349 178.555 176.000 0.343 0.000 0.971 353 Q CA 1.841 57.813 55.803 0.282 0.000 0.833 353 Q CB -0.495 28.381 28.738 0.229 0.000 0.896 353 Q HN 0.604 nan 8.270 nan 0.000 0.434 354 R N 0.510 121.182 120.500 0.285 0.000 2.073 354 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 354 R C 2.227 178.702 176.300 0.291 0.000 1.134 354 R CA 1.457 57.778 56.100 0.368 0.000 0.952 354 R CB -0.065 30.459 30.300 0.373 0.000 0.850 354 R HN 0.069 nan 8.270 nan 0.000 0.433 355 V N 1.911 121.913 119.914 0.147 0.000 2.358 355 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 355 V C 2.020 178.052 176.094 -0.104 0.000 1.047 355 V CA 1.798 64.127 62.300 0.049 0.000 1.035 355 V CB -0.628 31.212 31.823 0.029 0.000 0.658 355 V HN 0.431 nan 8.190 nan 0.000 0.452 356 N N -0.492 118.028 118.700 -0.300 0.000 2.084 356 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 356 N C 1.870 177.047 175.510 -0.556 0.000 1.030 356 N CA 1.791 54.439 53.050 -0.671 0.000 0.849 356 N CB -0.349 37.119 38.487 -1.698 0.000 1.012 356 N HN 0.516 nan 8.380 nan 0.000 0.423 357 Y N 1.926 122.026 120.300 -0.333 0.000 2.200 357 Y HA -0.083 4.466 4.550 -0.001 0.000 0.290 357 Y C 2.409 177.801 175.900 -0.847 0.000 1.137 357 Y CA 1.041 58.812 58.100 -0.548 0.000 1.163 357 Y CB -0.197 38.032 38.460 -0.385 0.000 0.988 357 Y HN 0.132 nan 8.280 nan 0.000 0.518 358 E N -0.209 119.859 120.200 -0.220 0.000 2.118 358 E HA -0.251 4.098 4.350 -0.001 0.000 0.195 358 E C 2.220 178.772 176.600 -0.080 0.000 0.992 358 E CA 1.261 57.617 56.400 -0.073 0.000 0.804 358 E CB -0.152 29.622 29.700 0.123 0.000 0.741 358 E HN 0.465 nan 8.360 nan 0.000 0.458 359 R N 0.271 120.697 120.500 -0.123 0.000 2.075 359 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 359 R C 2.477 178.739 176.300 -0.063 0.000 1.126 359 R CA 0.830 56.886 56.100 -0.074 0.000 0.963 359 R CB -0.265 29.972 30.300 -0.105 0.000 0.858 359 R HN 0.144 nan 8.270 nan 0.000 0.435 360 L N -0.301 120.812 121.223 -0.182 0.000 2.012 360 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 360 L C 2.153 179.052 176.870 0.048 0.000 1.073 360 L CA 1.273 56.036 54.840 -0.127 0.000 0.748 360 L CB -0.461 41.432 42.059 -0.277 0.000 0.891 360 L HN 0.082 nan 8.230 nan 0.000 0.431 361 F N 0.188 120.141 119.950 0.006 0.000 2.134 361 F HA -0.219 4.308 4.527 -0.001 0.000 0.299 361 F C 2.651 178.447 175.800 -0.006 0.000 1.097 361 F CA 1.364 59.354 58.000 -0.017 0.000 1.264 361 F CB -1.001 37.952 39.000 -0.079 0.000 1.001 361 F HN 0.216 nan 8.300 nan 0.000 0.479 362 E N -0.690 119.635 120.200 0.208 0.000 2.077 362 E HA -0.296 4.054 4.350 -0.001 0.000 0.193 362 E C 2.222 178.905 176.600 0.139 0.000 0.989 362 E CA 1.542 58.026 56.400 0.140 0.000 0.800 362 E CB -0.258 29.509 29.700 0.112 0.000 0.746 362 E HN 0.502 nan 8.360 nan 0.000 0.452 363 H N 0.257 119.369 119.070 0.071 0.000 2.293 363 H HA -0.062 4.493 4.556 -0.001 0.000 0.300 363 H C 2.065 177.474 175.328 0.135 0.000 1.082 363 H CA 2.214 58.319 56.048 0.095 0.000 1.308 363 H CB -0.194 29.619 29.762 0.085 0.000 1.375 363 H HN 0.155 nan 8.280 nan 0.000 0.495 364 I N 0.363 120.966 120.570 0.056 0.000 2.226 364 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 364 I C 1.655 177.769 176.117 -0.004 0.000 1.100 364 I CA 1.336 62.579 61.300 -0.096 0.000 1.374 364 I CB -0.272 37.596 38.000 -0.220 0.000 1.057 364 I HN 0.357 nan 8.210 nan 0.000 0.413 365 N N 0.208 118.910 118.700 0.003 0.000 2.459 365 N HA -0.106 4.634 4.740 -0.001 0.000 0.181 365 N C 1.865 177.361 175.510 -0.025 0.000 1.046 365 N CA 1.431 54.467 53.050 -0.022 0.000 0.904 365 N CB -0.210 38.258 38.487 -0.032 0.000 0.964 365 N HN 0.397 nan 8.380 nan 0.000 0.444 366 S N -0.917 114.766 115.700 -0.029 0.000 2.524 366 S HA 0.123 4.593 4.470 -0.001 0.000 0.216 366 S C 0.601 175.159 174.600 -0.070 0.000 0.987 366 S CA -0.110 58.067 58.200 -0.038 0.000 0.909 366 S CB 0.256 63.445 63.200 -0.019 0.000 0.781 366 S HN -0.010 nan 8.310 nan 0.000 0.521 367 Q N 1.354 121.090 119.800 -0.107 0.000 2.456 367 Q HA 0.530 4.869 4.340 -0.001 0.000 0.234 367 Q C 1.032 176.890 176.000 -0.236 0.000 1.061 367 Q CA 0.152 55.839 55.803 -0.193 0.000 0.896 367 Q CB 1.187 29.693 28.738 -0.386 0.000 1.233 367 Q HN 0.467 nan 8.270 nan 0.000 0.506 368 A N 2.694 125.444 122.820 -0.117 0.000 1.958 368 A HA -0.292 4.028 4.320 -0.001 0.000 0.221 368 A C 1.654 179.172 177.584 -0.110 0.000 1.178 368 A CA 2.344 54.332 52.037 -0.082 0.000 0.642 368 A CB -0.792 18.188 19.000 -0.033 0.000 0.816 368 A HN 0.903 nan 8.150 nan 0.000 0.453 369 H N -3.331 115.655 119.070 -0.140 0.000 2.489 369 H HA -0.068 4.487 4.556 -0.001 0.000 0.295 369 H C 1.413 176.677 175.328 -0.108 0.000 1.082 369 H CA 1.569 57.522 56.048 -0.159 0.000 1.295 369 H CB -0.618 28.991 29.762 -0.255 0.000 1.380 369 H HN 0.436 nan 8.280 nan 0.000 0.548 370 F N 0.889 120.534 119.950 -0.507 0.000 2.259 370 F HA -0.001 4.525 4.527 -0.001 0.000 0.298 370 F C 0.796 176.519 175.800 -0.128 0.000 1.088 370 F CA 0.755 58.591 58.000 -0.272 0.000 1.358 370 F CB -0.321 38.483 39.000 -0.327 0.000 1.040 370 F HN 0.166 nan 8.300 nan 0.000 0.505 371 N N 0.587 119.323 118.700 0.060 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.052 174.428 175.510 -0.051 0.000 1.031 371 N CA 0.452 53.518 53.050 0.027 0.000 0.720 371 N CB -1.505 37.045 38.487 0.105 0.000 0.930 371 N HN 0.041 nan 8.380 nan 0.000 0.543 372 V N 0.614 120.492 119.914 -0.059 0.000 2.735 372 V HA 0.395 4.515 4.120 -0.001 0.000 0.310 372 V C 0.126 176.133 176.094 -0.145 0.000 1.061 372 V CA -0.679 61.537 62.300 -0.139 0.000 0.913 372 V CB 2.482 34.239 31.823 -0.110 0.000 1.005 372 V HN 0.188 nan 8.190 nan 0.000 0.428 373 Q N 3.098 122.764 119.800 -0.223 0.000 2.363 373 Q HA 0.753 5.093 4.340 -0.001 0.000 0.265 373 Q C -0.778 174.972 176.000 -0.418 0.000 1.032 373 Q CA -0.136 55.510 55.803 -0.263 0.000 0.746 373 Q CB 1.574 30.165 28.738 -0.245 0.000 1.237 373 Q HN 0.994 nan 8.270 nan 0.000 0.475 374 A N 4.367 126.921 122.820 -0.443 0.000 2.350 374 A HA 0.877 5.197 4.320 -0.001 0.000 0.324 374 A C -1.161 175.734 177.584 -1.148 0.000 1.118 374 A CA -0.509 51.097 52.037 -0.718 0.000 0.783 374 A CB 1.133 19.896 19.000 -0.395 0.000 1.236 374 A HN 0.804 nan 8.150 nan 0.000 0.457 375 Q N 0.818 119.839 119.800 -1.298 0.000 2.522 375 Q HA 0.551 4.890 4.340 -0.001 0.000 0.285 375 Q C -1.668 173.877 176.000 -0.759 0.000 0.982 375 Q CA -0.813 54.261 55.803 -1.216 0.000 0.805 375 Q CB 0.674 29.072 28.738 -0.567 0.000 1.457 375 Q HN 0.390 nan 8.270 nan 0.000 0.394 376 F N 0.587 120.424 119.950 -0.188 0.000 2.518 376 F HA 0.597 5.123 4.527 -0.001 0.000 0.359 376 F C 1.161 176.996 175.800 0.059 0.000 1.118 376 F CA 1.423 59.454 58.000 0.051 0.000 1.287 376 F CB 0.961 40.054 39.000 0.155 0.000 1.132 376 F HN 0.749 nan 8.300 nan 0.000 0.587 377 G N 0.333 109.312 108.800 0.299 0.000 2.727 377 G HA2 0.616 4.576 3.960 -0.001 0.000 0.289 377 G HA3 0.616 4.576 3.960 -0.001 0.000 0.289 377 G C -1.072 173.839 174.900 0.019 0.000 1.418 377 G CA -0.652 44.570 45.100 0.204 0.000 0.818 377 G HN 0.713 nan 8.290 nan 0.000 0.486 378 T N -1.853 112.637 114.554 -0.107 0.000 2.937 378 T HA 0.470 4.819 4.350 -0.001 0.000 0.283 378 T C 1.292 175.843 174.700 -0.249 0.000 1.012 378 T CA -0.483 61.510 62.100 -0.178 0.000 0.997 378 T CB 1.535 70.312 68.868 -0.153 0.000 1.136 378 T HN 0.520 nan 8.240 nan 0.000 0.551 379 L N 0.590 121.664 121.223 -0.248 0.000 2.017 379 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 379 L C 2.801 179.624 176.870 -0.078 0.000 1.073 379 L CA 2.019 56.738 54.840 -0.202 0.000 0.745 379 L CB -1.134 40.846 42.059 -0.132 0.000 0.894 379 L HN 0.906 nan 8.230 nan 0.000 0.432 380 Q N -0.092 119.695 119.800 -0.023 0.000 2.124 380 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 380 Q C 2.081 178.014 176.000 -0.112 0.000 0.977 380 Q CA 2.037 57.858 55.803 0.030 0.000 0.850 380 Q CB -0.174 28.558 28.738 -0.010 0.000 0.901 380 Q HN 0.636 nan 8.270 nan 0.000 0.429 381 E N -1.217 118.825 120.200 -0.263 0.000 2.077 381 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 381 E C 1.695 177.831 176.600 -0.773 0.000 0.989 381 E CA 1.115 57.234 56.400 -0.469 0.000 0.800 381 E CB -0.308 29.055 29.700 -0.561 0.000 0.746 381 E HN 0.473 nan 8.360 nan 0.000 0.452 382 Y N 0.708 120.447 120.300 -0.934 0.000 2.097 382 Y HA -0.290 4.259 4.550 -0.001 0.000 0.282 382 Y C 1.893 177.478 175.900 -0.525 0.000 1.152 382 Y CA 1.685 59.268 58.100 -0.862 0.000 1.136 382 Y CB -0.502 37.495 38.460 -0.772 0.000 0.975 382 Y HN -0.058 nan 8.280 nan 0.000 0.498 383 F N 0.876 120.561 119.950 -0.441 0.000 2.134 383 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 383 F C 2.260 177.812 175.800 -0.413 0.000 1.097 383 F CA 1.783 59.498 58.000 -0.476 0.000 1.264 383 F CB -0.878 38.038 39.000 -0.139 0.000 1.001 383 F HN 0.099 nan 8.300 nan 0.000 0.479 384 D N 0.049 120.389 120.400 -0.101 0.000 2.123 384 D HA -0.169 4.471 4.640 -0.001 0.000 0.196 384 D C 2.352 178.568 176.300 -0.139 0.000 0.992 384 D CA 1.531 55.482 54.000 -0.081 0.000 0.833 384 D CB -0.617 40.127 40.800 -0.094 0.000 0.954 384 D HN 0.243 nan 8.370 nan 0.000 0.455 385 A N 0.442 123.118 122.820 -0.239 0.000 1.930 385 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 385 A C 2.524 179.980 177.584 -0.212 0.000 1.175 385 A CA 0.953 52.895 52.037 -0.158 0.000 0.627 385 A CB -0.652 18.327 19.000 -0.034 0.000 0.815 385 A HN 0.135 nan 8.150 nan 0.000 0.443 386 V N -0.018 119.628 119.914 -0.447 0.000 2.287 386 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 386 V C 2.416 178.325 176.094 -0.309 0.000 1.053 386 V CA 2.156 64.195 62.300 -0.436 0.000 1.027 386 V CB -1.032 30.349 31.823 -0.735 0.000 0.646 386 V HN 0.655 nan 8.190 nan 0.000 0.447 387 H N -0.312 118.642 119.070 -0.193 0.000 2.462 387 H HA -0.068 4.487 4.556 -0.001 0.000 0.292 387 H C 2.406 177.698 175.328 -0.060 0.000 1.049 387 H CA 1.295 57.261 56.048 -0.137 0.000 1.334 387 H CB -0.071 29.569 29.762 -0.203 0.000 1.404 387 H HN 0.556 nan 8.280 nan 0.000 0.544 388 Q N 0.300 120.116 119.800 0.027 0.000 2.084 388 Q HA -0.059 4.280 4.340 -0.001 0.000 0.202 388 Q C 2.561 178.579 176.000 0.030 0.000 0.978 388 Q CA 1.287 57.103 55.803 0.022 0.000 0.844 388 Q CB 0.003 28.742 28.738 0.002 0.000 0.898 388 Q HN 0.403 nan 8.270 nan 0.000 0.426 389 A N 1.072 123.906 122.820 0.023 0.000 1.902 389 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 389 A C 1.940 179.556 177.584 0.052 0.000 1.181 389 A CA 1.619 53.683 52.037 0.044 0.000 0.623 389 A CB -0.552 18.477 19.000 0.049 0.000 0.818 389 A HN 0.444 nan 8.150 nan 0.000 0.443 390 E N -0.207 120.043 120.200 0.083 0.000 2.058 390 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 390 E C 2.237 178.877 176.600 0.067 0.000 0.997 390 E CA 1.191 57.649 56.400 0.097 0.000 0.801 390 E CB -0.136 29.734 29.700 0.283 0.000 0.746 390 E HN 0.585 nan 8.360 nan 0.000 0.450 391 R N -0.228 120.313 120.500 0.069 0.000 2.148 391 R HA -0.040 4.299 4.340 -0.001 0.000 0.227 391 R C 2.134 178.451 176.300 0.029 0.000 1.103 391 R CA 0.837 56.963 56.100 0.043 0.000 0.983 391 R CB -0.162 30.158 30.300 0.034 0.000 0.874 391 R HN 0.126 nan 8.270 nan 0.000 0.451 392 A N 0.401 123.239 122.820 0.031 0.000 2.239 392 A HA 0.142 4.462 4.320 -0.001 0.000 0.209 392 A C 1.368 178.963 177.584 0.018 0.000 1.171 392 A CA 0.816 52.868 52.037 0.026 0.000 0.768 392 A CB -0.331 18.690 19.000 0.036 0.000 0.790 392 A HN 0.462 nan 8.150 nan 0.000 0.478 393 G N -0.412 108.396 108.800 0.012 0.000 2.147 393 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.244 393 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.244 393 G C 0.746 175.638 174.900 -0.013 0.000 1.005 393 G CA 0.789 45.888 45.100 -0.003 0.000 0.713 393 G HN 0.993 nan 8.290 nan 0.000 0.515 394 Q N -0.707 119.091 119.800 -0.004 0.000 2.424 394 Q HA 0.637 4.976 4.340 -0.001 0.000 0.204 394 Q C 0.900 176.875 176.000 -0.042 0.000 0.933 394 Q CA 1.277 57.081 55.803 0.001 0.000 0.929 394 Q CB 0.356 29.130 28.738 0.061 0.000 1.037 394 Q HN 1.633 nan 8.270 nan 0.000 0.511 395 A N 1.171 123.923 122.820 -0.113 0.000 2.589 395 A HA 0.502 4.821 4.320 -0.001 0.000 0.296 395 A C -1.654 175.707 177.584 -0.372 0.000 1.062 395 A CA -0.952 50.922 52.037 -0.271 0.000 0.686 395 A CB 1.287 20.047 19.000 -0.400 0.000 1.282 395 A HN 0.387 nan 8.150 nan 0.000 0.404 396 E N 1.002 120.978 120.200 -0.373 0.000 2.238 396 E HA 0.747 5.096 4.350 -0.001 0.000 0.267 396 E C -1.680 174.712 176.600 -0.346 0.000 0.887 396 E CA -0.568 55.666 56.400 -0.277 0.000 0.769 396 E CB 1.743 31.396 29.700 -0.078 0.000 1.187 396 E HN 0.332 nan 8.360 nan 0.000 0.416 397 F N 1.793 121.847 119.950 0.173 0.000 2.450 397 F HA 0.393 4.920 4.527 -0.000 0.000 0.332 397 F C -1.846 174.052 175.800 0.164 0.000 1.093 397 F CA -2.364 55.761 58.000 0.209 0.000 1.003 397 F CB 1.148 40.350 39.000 0.337 0.000 1.151 397 F HN 0.344 nan 8.300 nan 0.000 0.474 398 P HA 0.176 nan 4.420 nan 0.000 0.274 398 P C -0.621 176.817 177.300 0.229 0.000 1.237 398 P CA -0.364 62.864 63.100 0.214 0.000 0.793 398 P CB 0.898 32.693 31.700 0.158 0.000 0.977 399 T N -0.521 114.121 114.554 0.146 0.000 2.907 399 T HA 0.679 5.028 4.350 -0.001 0.000 0.284 399 T C -0.280 174.449 174.700 0.049 0.000 1.004 399 T CA -0.809 61.369 62.100 0.130 0.000 1.063 399 T CB 1.059 69.983 68.868 0.092 0.000 0.992 399 T HN 0.468 nan 8.240 nan 0.000 0.483 400 L N 1.768 123.020 121.223 0.047 0.000 2.445 400 L HA 0.725 5.064 4.340 -0.001 0.000 0.262 400 L C -0.734 176.125 176.870 -0.018 0.000 0.974 400 L CA -0.441 54.319 54.840 -0.133 0.000 0.822 400 L CB 2.189 43.935 42.059 -0.522 0.000 1.339 400 L HN 1.106 nan 8.230 nan 0.000 0.409 401 S N 2.514 118.156 115.700 -0.096 0.000 2.599 401 S HA 1.059 5.529 4.470 -0.001 0.000 0.287 401 S C -0.344 174.176 174.600 -0.133 0.000 1.105 401 S CA -0.001 58.198 58.200 -0.001 0.000 0.899 401 S CB 2.076 65.246 63.200 -0.049 0.000 1.100 401 S HN 1.681 nan 8.310 nan 0.000 0.482 402 G N 1.125 109.907 108.800 -0.031 0.000 2.331 402 G HA2 0.323 4.282 3.960 -0.001 0.000 0.402 402 G HA3 0.323 4.282 3.960 -0.001 0.000 0.402 402 G C -1.786 173.013 174.900 -0.168 0.000 1.275 402 G CA -0.013 44.973 45.100 -0.191 0.000 1.003 402 G HN 1.273 nan 8.290 nan 0.000 0.500 403 D N -1.725 118.449 120.400 -0.376 0.000 2.654 403 D HA 0.756 5.395 4.640 -0.001 0.000 0.255 403 D C -0.625 175.179 176.300 -0.827 0.000 1.101 403 D CA -1.060 52.735 54.000 -0.342 0.000 1.116 403 D CB 1.113 41.891 40.800 -0.037 0.000 1.348 403 D HN 0.378 nan 8.370 nan 0.000 0.609 404 F N -0.459 119.359 119.950 -0.220 0.000 2.679 404 F HA 0.395 4.922 4.527 -0.001 0.000 0.354 404 F C -0.956 174.668 175.800 -0.293 0.000 1.423 404 F CA -0.647 57.227 58.000 -0.210 0.000 1.141 404 F CB 0.160 39.069 39.000 -0.153 0.000 1.168 404 F HN 0.003 nan 8.300 nan 0.000 0.530 405 F N -0.705 119.424 119.950 0.299 0.000 2.538 405 F HA 0.570 5.097 4.527 -0.001 0.000 0.325 405 F C 0.598 176.659 175.800 0.435 0.000 1.066 405 F CA -1.384 56.862 58.000 0.410 0.000 0.946 405 F CB 1.591 40.826 39.000 0.391 0.000 1.199 405 F HN -0.278 nan 8.300 nan 0.000 0.473 406 T N 1.860 116.803 114.554 0.647 0.000 2.806 406 T HA 0.166 4.515 4.350 -0.001 0.000 0.290 406 T C -0.946 174.221 174.700 0.779 0.000 0.966 406 T CA -0.212 62.335 62.100 0.745 0.000 1.060 406 T CB 0.171 69.344 68.868 0.510 0.000 0.927 406 T HN 0.373 nan 8.240 nan 0.000 0.485 407 Y N 3.007 123.635 120.300 0.546 0.000 2.511 407 Y HA 0.408 4.957 4.550 -0.001 0.000 0.332 407 Y C -0.133 175.816 175.900 0.081 0.000 1.177 407 Y CA -1.096 57.148 58.100 0.240 0.000 1.422 407 Y CB 0.085 38.556 38.460 0.019 0.000 1.271 407 Y HN 0.678 nan 8.280 nan 0.000 0.550 408 A N 5.181 127.617 122.820 -0.640 0.000 2.374 408 A HA 0.373 4.692 4.320 -0.001 0.000 0.305 408 A C -0.107 176.929 177.584 -0.914 0.000 1.053 408 A CA -0.264 51.223 52.037 -0.917 0.000 0.726 408 A CB 0.713 18.883 19.000 -1.383 0.000 1.229 408 A HN 0.799 nan 8.150 nan 0.000 0.431 409 D N 1.489 121.485 120.400 -0.675 0.000 2.346 409 D HA 0.066 4.705 4.640 -0.001 0.000 0.206 409 D C 0.502 176.823 176.300 0.036 0.000 1.001 409 D CA 0.468 54.302 54.000 -0.277 0.000 0.871 409 D CB 0.168 40.886 40.800 -0.137 0.000 0.943 409 D HN 0.728 nan 8.370 nan 0.000 0.518 410 R N -2.284 118.174 120.500 -0.071 0.000 2.739 410 R HA 0.392 4.731 4.340 -0.001 0.000 0.266 410 R C -0.194 176.001 176.300 -0.174 0.000 1.044 410 R CA -0.184 55.718 56.100 -0.330 0.000 0.885 410 R CB 0.698 30.876 30.300 -0.202 0.000 1.260 410 R HN -0.117 nan 8.270 nan 0.000 0.477 411 S N 0.324 115.872 115.700 -0.253 0.000 3.927 411 S HA -0.298 4.171 4.470 -0.001 0.000 0.618 411 S C 0.445 175.130 174.600 0.142 0.000 2.201 411 S CA 1.970 60.167 58.200 -0.006 0.000 4.160 411 S CB -1.035 62.147 63.200 -0.029 0.000 0.266 411 S HN 1.090 nan 8.310 nan 0.000 0.760 412 D N 1.425 121.896 120.400 0.118 0.000 2.427 412 D HA 0.192 4.832 4.640 -0.001 0.000 0.224 412 D C 0.016 176.424 176.300 0.180 0.000 1.157 412 D CA -0.129 54.005 54.000 0.223 0.000 0.828 412 D CB -1.466 39.455 40.800 0.200 0.000 0.974 412 D HN 0.510 nan 8.370 nan 0.000 0.498 413 N N 0.950 119.659 118.700 0.015 0.000 2.807 413 N HA 0.051 4.791 4.740 -0.001 0.000 0.259 413 N C -0.910 174.620 175.510 0.034 0.000 1.149 413 N CA -0.332 52.731 53.050 0.021 0.000 1.042 413 N CB 0.143 38.626 38.487 -0.006 0.000 1.367 413 N HN 0.140 nan 8.380 nan 0.000 0.516 414 Y N 0.239 120.633 120.300 0.156 0.000 2.316 414 Y HA 0.099 4.649 4.550 -0.001 0.000 0.331 414 Y C 0.114 176.214 175.900 0.334 0.000 1.083 414 Y CA -0.631 57.624 58.100 0.258 0.000 1.206 414 Y CB 0.541 39.099 38.460 0.164 0.000 1.195 414 Y HN 0.397 nan 8.280 nan 0.000 0.497 415 W N 2.533 123.963 121.300 0.216 0.000 1.603 415 W HA 0.231 4.890 4.660 -0.001 0.000 0.392 415 W C 0.811 177.374 176.519 0.074 0.000 0.661 415 W CA -0.613 56.885 57.345 0.255 0.000 2.021 415 W CB -0.443 29.267 29.460 0.417 0.000 1.759 415 W HN 0.551 nan 8.180 nan 0.000 0.334 416 S N -2.038 113.698 115.700 0.060 0.000 2.556 416 S HA 0.132 4.602 4.470 -0.001 0.000 0.216 416 S C 1.930 176.259 174.600 -0.452 0.000 0.970 416 S CA 0.319 58.192 58.200 -0.545 0.000 0.912 416 S CB 0.200 63.394 63.200 -0.011 0.000 0.790 416 S HN 0.342 nan 8.310 nan 0.000 0.504 417 G N 1.993 110.729 108.800 -0.108 0.000 2.408 417 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.217 417 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.217 417 G C 1.248 176.128 174.900 -0.034 0.000 1.150 417 G CA 0.880 45.929 45.100 -0.085 0.000 0.776 417 G HN 0.792 nan 8.290 nan 0.000 0.542 418 Y N -0.456 119.816 120.300 -0.047 0.000 2.632 418 Y HA 0.166 4.715 4.550 -0.001 0.000 0.301 418 Y C 1.793 177.816 175.900 0.205 0.000 1.172 418 Y CA -0.415 57.736 58.100 0.086 0.000 1.328 418 Y CB -0.362 38.230 38.460 0.219 0.000 1.016 418 Y HN 0.177 nan 8.280 nan 0.000 0.529 419 Y N 0.608 120.682 120.300 -0.377 0.000 2.497 419 Y HA -0.035 4.514 4.550 -0.001 0.000 0.292 419 Y C 1.721 177.568 175.900 -0.088 0.000 1.137 419 Y CA 0.666 58.580 58.100 -0.310 0.000 1.285 419 Y CB -0.751 37.566 38.460 -0.237 0.000 0.991 419 Y HN 0.303 nan 8.280 nan 0.000 0.556 420 T N -2.737 111.883 114.554 0.110 0.000 2.980 420 T HA 0.084 4.433 4.350 -0.001 0.000 0.252 420 T C 0.718 175.506 174.700 0.146 0.000 0.962 420 T CA -0.072 62.095 62.100 0.112 0.000 0.932 420 T CB 0.037 68.941 68.868 0.060 0.000 1.188 420 T HN -0.065 nan 8.240 nan 0.000 0.500 421 S N 2.424 118.208 115.700 0.141 0.000 2.558 421 S HA 0.214 4.683 4.470 -0.001 0.000 0.293 421 S C 0.408 175.143 174.600 0.225 0.000 1.292 421 S CA -0.015 58.280 58.200 0.158 0.000 1.063 421 S CB 0.108 63.387 63.200 0.133 0.000 0.831 421 S HN 0.398 nan 8.310 nan 0.000 0.499 422 R N 1.011 121.660 120.500 0.249 0.000 3.209 422 R HA -0.119 4.220 4.340 -0.001 0.000 0.252 422 R C -2.020 174.532 176.300 0.419 0.000 0.958 422 R CA 0.681 57.003 56.100 0.370 0.000 0.651 422 R CB -1.798 28.747 30.300 0.408 0.000 1.142 422 R HN 0.506 nan 8.270 nan 0.000 0.441 423 P HA -0.216 nan 4.420 nan 0.000 0.223 423 P C 1.105 178.620 177.300 0.358 0.000 1.151 423 P CA 0.937 64.257 63.100 0.366 0.000 0.787 423 P CB -0.011 31.946 31.700 0.428 0.000 0.788 424 Y N 1.510 121.905 120.300 0.159 0.000 2.165 424 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 424 Y C 2.274 178.164 175.900 -0.017 0.000 1.155 424 Y CA 2.075 60.186 58.100 0.018 0.000 1.164 424 Y CB -0.911 37.432 38.460 -0.195 0.000 0.978 424 Y HN 0.060 nan 8.280 nan 0.000 0.513 425 H N -0.859 118.461 119.070 0.417 0.000 2.470 425 H HA 0.024 4.580 4.556 -0.001 0.000 0.289 425 H C 2.040 177.523 175.328 0.259 0.000 1.033 425 H CA 1.204 57.419 56.048 0.280 0.000 1.331 425 H CB -0.056 29.937 29.762 0.386 0.000 1.414 425 H HN 0.244 nan 8.280 nan 0.000 0.545 426 K N 0.387 121.013 120.400 0.377 0.000 2.063 426 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 426 K C 2.249 178.910 176.600 0.102 0.000 1.048 426 K CA 1.318 57.761 56.287 0.261 0.000 0.928 426 K CB 0.056 32.686 32.500 0.217 0.000 0.713 426 K HN 0.035 nan 8.250 nan 0.000 0.442 427 R N 1.368 121.899 120.500 0.052 0.000 2.075 427 R HA -0.012 4.328 4.340 -0.001 0.000 0.232 427 R C 2.074 178.140 176.300 -0.389 0.000 1.126 427 R CA 1.457 57.518 56.100 -0.064 0.000 0.963 427 R CB -0.431 29.924 30.300 0.093 0.000 0.858 427 R HN 0.161 nan 8.270 nan 0.000 0.435 428 M N 0.311 119.548 119.600 -0.605 0.000 2.149 428 M HA -0.209 4.271 4.480 -0.001 0.000 0.261 428 M C 1.441 177.424 176.300 -0.529 0.000 1.064 428 M CA 2.421 57.122 55.300 -0.998 0.000 1.102 428 M CB -0.329 31.870 32.600 -0.669 0.000 1.369 428 M HN 0.297 nan 8.290 nan 0.000 0.408 429 D N -0.255 120.020 120.400 -0.208 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.893 178.119 176.300 -0.123 0.000 0.998 429 D CA 1.482 55.461 54.000 -0.036 0.000 0.836 429 D CB 0.112 41.035 40.800 0.204 0.000 0.951 429 D HN 0.219 nan 8.370 nan 0.000 0.449 430 R N 0.041 120.445 120.500 -0.159 0.000 2.115 430 R HA -0.007 4.332 4.340 -0.001 0.000 0.226 430 R C 2.432 178.597 176.300 -0.225 0.000 1.100 430 R CA 0.428 56.426 56.100 -0.170 0.000 0.980 430 R CB -0.939 29.277 30.300 -0.139 0.000 0.875 430 R HN 0.263 nan 8.270 nan 0.000 0.445 431 V N 1.520 121.232 119.914 -0.337 0.000 2.295 431 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 431 V C 2.361 178.359 176.094 -0.160 0.000 1.049 431 V CA 1.553 63.657 62.300 -0.325 0.000 1.024 431 V CB -0.582 30.843 31.823 -0.664 0.000 0.648 431 V HN 0.142 nan 8.190 nan 0.000 0.447 432 L N -0.397 120.706 121.223 -0.200 0.000 2.093 432 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 432 L C 2.299 179.120 176.870 -0.081 0.000 1.085 432 L CA 1.980 56.770 54.840 -0.084 0.000 0.755 432 L CB -0.673 41.309 42.059 -0.128 0.000 0.904 432 L HN 0.332 nan 8.230 nan 0.000 0.435 433 M N -1.263 118.262 119.600 -0.125 0.000 2.082 433 M HA -0.330 4.149 4.480 -0.001 0.000 0.258 433 M C 2.373 178.572 176.300 -0.169 0.000 1.069 433 M CA 2.421 57.629 55.300 -0.154 0.000 1.102 433 M CB -0.402 32.074 32.600 -0.206 0.000 1.336 433 M HN 0.564 nan 8.290 nan 0.000 0.404 434 H N -0.728 118.185 119.070 -0.260 0.000 2.357 434 H HA -0.150 4.405 4.556 -0.001 0.000 0.301 434 H C 1.421 176.595 175.328 -0.257 0.000 1.082 434 H CA 2.322 58.187 56.048 -0.304 0.000 1.342 434 H CB -0.353 29.151 29.762 -0.430 0.000 1.389 434 H HN 0.484 nan 8.280 nan 0.000 0.511 435 Y N -0.536 119.616 120.300 -0.247 0.000 2.293 435 Y HA -0.124 4.426 4.550 -0.001 0.000 0.291 435 Y C 2.693 178.472 175.900 -0.203 0.000 1.137 435 Y CA 1.065 59.025 58.100 -0.233 0.000 1.202 435 Y CB -0.487 37.904 38.460 -0.115 0.000 0.990 435 Y HN 0.114 nan 8.280 nan 0.000 0.537 436 V N 0.164 120.047 119.914 -0.051 0.000 2.295 436 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 436 V C 2.539 178.569 176.094 -0.108 0.000 1.049 436 V CA 2.194 64.448 62.300 -0.076 0.000 1.024 436 V CB -0.580 31.190 31.823 -0.088 0.000 0.648 436 V HN 0.305 nan 8.190 nan 0.000 0.447 437 R N 0.384 120.787 120.500 -0.161 0.000 2.083 437 R HA -0.196 4.143 4.340 -0.001 0.000 0.237 437 R C 2.232 178.470 176.300 -0.103 0.000 1.137 437 R CA 1.965 57.981 56.100 -0.139 0.000 0.951 437 R CB -0.495 29.706 30.300 -0.165 0.000 0.851 437 R HN 0.470 nan 8.270 nan 0.000 0.434 438 A N 0.529 123.239 122.820 -0.182 0.000 1.930 438 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 438 A C 2.350 179.941 177.584 0.011 0.000 1.175 438 A CA 1.503 53.528 52.037 -0.020 0.000 0.627 438 A CB -0.675 18.278 19.000 -0.079 0.000 0.815 438 A HN 0.570 nan 8.150 nan 0.000 0.443 439 A N -0.125 122.690 122.820 -0.009 0.000 1.898 439 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 439 A C 1.935 179.492 177.584 -0.045 0.000 1.181 439 A CA 1.515 53.543 52.037 -0.016 0.000 0.620 439 A CB -0.486 18.498 19.000 -0.026 0.000 0.819 439 A HN 0.609 nan 8.150 nan 0.000 0.442 440 E N -0.946 119.219 120.200 -0.058 0.000 2.072 440 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 440 E C 2.061 178.610 176.600 -0.085 0.000 0.985 440 E CA 1.351 57.704 56.400 -0.078 0.000 0.801 440 E CB -0.256 29.394 29.700 -0.083 0.000 0.750 440 E HN 0.746 nan 8.360 nan 0.000 0.452 441 M N 0.728 120.300 119.600 -0.045 0.000 2.099 441 M HA -0.144 4.336 4.480 -0.001 0.000 0.262 441 M C 2.168 178.477 176.300 0.015 0.000 1.067 441 M CA 1.327 56.601 55.300 -0.044 0.000 1.124 441 M CB 0.042 32.709 32.600 0.110 0.000 1.353 441 M HN 0.076 nan 8.290 nan 0.000 0.410 442 L N 0.079 121.370 121.223 0.113 0.000 2.083 442 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 442 L C 2.620 179.664 176.870 0.290 0.000 1.083 442 L CA 1.720 56.688 54.840 0.213 0.000 0.752 442 L CB -0.518 41.520 42.059 -0.035 0.000 0.899 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -1.006 114.781 115.700 0.146 0.000 2.527 443 S HA 0.068 4.537 4.470 -0.001 0.000 0.222 443 S C 1.967 176.744 174.600 0.294 0.000 0.985 443 S CA 0.385 58.740 58.200 0.259 0.000 0.921 443 S CB 0.020 63.180 63.200 -0.067 0.000 0.772 443 S HN 0.297 nan 8.310 nan 0.000 0.529 444 A N 0.928 123.748 122.820 -0.001 0.000 2.015 444 A HA 0.087 4.406 4.320 -0.001 0.000 0.219 444 A C 1.696 179.172 177.584 -0.179 0.000 1.163 444 A CA 0.788 52.721 52.037 -0.175 0.000 0.646 444 A CB -1.161 17.582 19.000 -0.428 0.000 0.806 444 A HN 0.759 nan 8.150 nan 0.000 0.448 445 W N -0.633 120.677 121.300 0.017 0.000 2.392 445 W HA -0.014 4.646 4.660 -0.001 0.000 0.279 445 W C 0.899 177.204 176.519 -0.356 0.000 1.225 445 W CA 1.032 58.285 57.345 -0.153 0.000 1.233 445 W CB -0.174 29.150 29.460 -0.227 0.000 1.122 445 W HN 0.394 nan 8.180 nan 0.000 0.561 446 H N -2.236 116.900 119.070 0.110 0.000 2.771 446 H HA 0.374 4.930 4.556 -0.001 0.000 0.367 446 H C -0.288 174.946 175.328 -0.155 0.000 1.172 446 H CA -0.939 55.013 56.048 -0.160 0.000 1.186 446 H CB 1.558 30.983 29.762 -0.563 0.000 1.790 446 H HN -0.431 nan 8.280 nan 0.000 0.556 447 S N 0.904 116.571 115.700 -0.055 0.000 2.545 447 S HA 0.169 4.639 4.470 -0.001 0.000 0.275 447 S C -1.087 173.403 174.600 -0.182 0.000 1.299 447 S CA -0.547 57.638 58.200 -0.026 0.000 1.048 447 S CB 0.189 63.384 63.200 -0.008 0.000 0.938 447 S HN 0.321 nan 8.310 nan 0.000 0.496 448 W N 1.404 122.708 121.300 0.007 0.000 2.666 448 W HA 0.345 5.004 4.660 -0.001 0.000 0.334 448 W C 0.026 176.505 176.519 -0.066 0.000 1.051 448 W CA -0.912 56.409 57.345 -0.039 0.000 1.224 448 W CB 0.549 29.951 29.460 -0.097 0.000 1.405 448 W HN 0.556 nan 8.180 nan 0.000 0.513 449 D N 0.817 121.298 120.400 0.135 0.000 2.472 449 D HA 0.126 4.765 4.640 -0.001 0.000 0.237 449 D C 1.669 177.971 176.300 0.003 0.000 1.141 449 D CA 1.268 55.309 54.000 0.068 0.000 0.875 449 D CB 1.229 42.093 40.800 0.106 0.000 1.192 449 D HN 0.553 nan 8.370 nan 0.000 0.450 450 G N 3.063 111.873 108.800 0.016 0.000 2.475 450 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.220 450 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.220 450 G C 1.319 176.194 174.900 -0.041 0.000 1.125 450 G CA 0.528 45.624 45.100 -0.007 0.000 0.755 450 G HN 0.482 nan 8.290 nan 0.000 0.565 451 M N 0.998 120.585 119.600 -0.022 0.000 2.460 451 M HA 0.112 4.591 4.480 -0.001 0.000 0.263 451 M C 2.771 178.990 176.300 -0.134 0.000 1.071 451 M CA 0.703 56.014 55.300 0.017 0.000 1.096 451 M CB -0.912 31.798 32.600 0.184 0.000 1.408 451 M HN 0.321 nan 8.290 nan 0.000 0.463 452 A N -0.213 122.289 122.820 -0.531 0.000 2.119 452 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 452 A C 1.254 178.628 177.584 -0.350 0.000 1.152 452 A CA 0.409 51.912 52.037 -0.890 0.000 0.708 452 A CB -0.318 18.001 19.000 -1.135 0.000 0.805 452 A HN 0.583 nan 8.150 nan 0.000 0.460 453 R N -1.838 118.535 120.500 -0.211 0.000 3.770 453 R HA -0.175 4.165 4.340 -0.001 0.000 0.305 453 R C 0.660 176.850 176.300 -0.182 0.000 1.184 453 R CA 0.735 56.753 56.100 -0.135 0.000 0.823 453 R CB -2.121 28.132 30.300 -0.078 0.000 1.285 453 R HN 0.473 nan 8.270 nan 0.000 0.499 454 I N 0.538 120.950 120.570 -0.263 0.000 2.193 454 I HA -0.176 3.994 4.170 -0.001 0.000 0.240 454 I C 2.123 178.116 176.117 -0.206 0.000 1.084 454 I CA 1.653 62.749 61.300 -0.340 0.000 1.365 454 I CB -0.663 36.986 38.000 -0.585 0.000 1.064 454 I HN 0.195 nan 8.210 nan 0.000 0.410 455 E N 0.711 120.828 120.200 -0.137 0.000 2.110 455 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 455 E C 2.078 178.632 176.600 -0.077 0.000 0.988 455 E CA 1.178 57.525 56.400 -0.088 0.000 0.804 455 E CB -0.225 29.446 29.700 -0.047 0.000 0.745 455 E HN 0.472 nan 8.360 nan 0.000 0.458 456 E N 0.484 120.641 120.200 -0.073 0.000 2.038 456 E HA -0.260 4.090 4.350 -0.001 0.000 0.195 456 E C 1.941 178.500 176.600 -0.068 0.000 1.000 456 E CA 1.108 57.474 56.400 -0.057 0.000 0.803 456 E CB 0.086 29.757 29.700 -0.048 0.000 0.750 456 E HN -0.028 nan 8.360 nan 0.000 0.448 457 R N 0.288 120.735 120.500 -0.088 0.000 2.096 457 R HA -0.019 4.321 4.340 -0.001 0.000 0.235 457 R C 2.379 178.624 176.300 -0.092 0.000 1.127 457 R CA 0.945 56.992 56.100 -0.087 0.000 0.968 457 R CB -0.469 29.770 30.300 -0.101 0.000 0.861 457 R HN 0.292 nan 8.270 nan 0.000 0.440 458 L N -0.245 120.915 121.223 -0.105 0.000 2.109 458 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 458 L C 2.339 179.150 176.870 -0.098 0.000 1.086 458 L CA 1.282 56.061 54.840 -0.102 0.000 0.760 458 L CB -0.360 41.633 42.059 -0.109 0.000 0.910 458 L HN 0.294 nan 8.230 nan 0.000 0.437 459 E N 0.153 120.300 120.200 -0.090 0.000 2.072 459 E HA -0.294 4.056 4.350 -0.001 0.000 0.191 459 E C 2.191 178.722 176.600 -0.114 0.000 0.985 459 E CA 1.178 57.518 56.400 -0.099 0.000 0.801 459 E CB 0.031 29.694 29.700 -0.062 0.000 0.750 459 E HN 0.422 nan 8.360 nan 0.000 0.452 460 Q N 0.096 119.846 119.800 -0.083 0.000 2.061 460 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 460 Q C 2.089 178.040 176.000 -0.082 0.000 0.984 460 Q CA 1.732 57.493 55.803 -0.070 0.000 0.846 460 Q CB -0.247 28.462 28.738 -0.048 0.000 0.902 460 Q HN 0.342 nan 8.270 nan 0.000 0.421 461 A N 1.036 123.807 122.820 -0.083 0.000 1.902 461 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 461 A C 2.099 179.623 177.584 -0.100 0.000 1.181 461 A CA 1.444 53.434 52.037 -0.078 0.000 0.623 461 A CB -0.507 18.449 19.000 -0.073 0.000 0.818 461 A HN 0.384 nan 8.150 nan 0.000 0.443 462 R N -0.808 119.614 120.500 -0.131 0.000 2.096 462 R HA -0.085 4.255 4.340 -0.001 0.000 0.235 462 R C 2.423 178.576 176.300 -0.245 0.000 1.127 462 R CA 1.578 57.576 56.100 -0.170 0.000 0.968 462 R CB -0.257 29.930 30.300 -0.189 0.000 0.861 462 R HN 0.488 nan 8.270 nan 0.000 0.440 463 R N 0.183 120.508 120.500 -0.292 0.000 2.115 463 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 463 R C 2.034 178.268 176.300 -0.110 0.000 1.100 463 R CA 0.811 56.665 56.100 -0.410 0.000 0.980 463 R CB 0.064 30.146 30.300 -0.363 0.000 0.875 463 R HN 0.183 nan 8.270 nan 0.000 0.445 464 E N 0.812 120.984 120.200 -0.046 0.000 2.107 464 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 464 E C 1.960 178.596 176.600 0.060 0.000 0.982 464 E CA 0.735 57.154 56.400 0.032 0.000 0.809 464 E CB -0.185 29.524 29.700 0.015 0.000 0.756 464 E HN 0.146 nan 8.360 nan 0.000 0.459 465 L N 1.235 122.462 121.223 0.007 0.000 2.056 465 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 465 L C 2.155 179.072 176.870 0.078 0.000 1.078 465 L CA 1.555 56.418 54.840 0.039 0.000 0.749 465 L CB -0.579 41.468 42.059 -0.020 0.000 0.901 465 L HN -0.102 nan 8.230 nan 0.000 0.433 466 S N -0.378 115.331 115.700 0.015 0.000 2.370 466 S HA -0.189 4.281 4.470 -0.001 0.000 0.226 466 S C 1.850 176.588 174.600 0.231 0.000 1.033 466 S CA 1.605 59.844 58.200 0.064 0.000 1.011 466 S CB -0.582 62.547 63.200 -0.117 0.000 0.852 466 S HN 0.465 nan 8.310 nan 0.000 0.457 467 L N 0.586 121.987 121.223 0.297 0.000 2.042 467 L HA -0.011 4.328 4.340 -0.001 0.000 0.210 467 L C 1.875 178.856 176.870 0.184 0.000 1.076 467 L CA 1.617 56.634 54.840 0.295 0.000 0.749 467 L CB -0.565 41.643 42.059 0.248 0.000 0.893 467 L HN 0.292 nan 8.230 nan 0.000 0.432 468 F N -0.312 119.617 119.950 -0.035 0.000 2.546 468 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 468 F C 2.177 177.901 175.800 -0.128 0.000 1.120 468 F CA 0.783 58.650 58.000 -0.222 0.000 1.456 468 F CB -0.223 38.684 39.000 -0.154 0.000 1.088 468 F HN 0.242 nan 8.300 nan 0.000 0.572 469 Q N -0.353 119.411 119.800 -0.060 0.000 2.437 469 Q HA -0.157 4.182 4.340 -0.001 0.000 0.210 469 Q C 0.558 176.495 176.000 -0.105 0.000 0.972 469 Q CA 0.500 56.243 55.803 -0.100 0.000 0.903 469 Q CB -1.335 27.415 28.738 0.019 0.000 0.967 469 Q HN 0.504 nan 8.270 nan 0.000 0.486 470 H N 2.001 120.955 119.070 -0.193 0.000 3.073 470 H HA -0.117 4.439 4.556 -0.001 0.000 0.340 470 H C 1.347 176.519 175.328 -0.259 0.000 1.054 470 H CA 0.760 56.692 56.048 -0.194 0.000 1.372 470 H CB 0.550 30.215 29.762 -0.162 0.000 1.314 470 H HN 0.246 nan 8.280 nan 0.000 0.603 471 H N 2.008 120.656 119.070 -0.704 0.000 2.563 471 H HA -0.015 4.541 4.556 -0.001 0.000 0.272 471 H C -0.321 174.557 175.328 -0.750 0.000 1.005 471 H CA 0.747 56.340 56.048 -0.758 0.000 1.171 471 H CB 0.302 29.622 29.762 -0.737 0.000 1.351 471 H HN 0.604 nan 8.280 nan 0.000 0.602 472 D N 0.409 120.081 120.400 -1.213 0.000 2.469 472 D HA 0.129 4.768 4.640 -0.001 0.000 0.215 472 D C 1.601 177.869 176.300 -0.053 0.000 1.154 472 D CA 0.303 54.136 54.000 -0.278 0.000 0.832 472 D CB 0.834 41.707 40.800 0.122 0.000 1.008 472 D HN 0.527 nan 8.370 nan 0.000 0.506 473 G N 1.287 109.852 108.800 -0.393 0.000 2.549 473 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.219 473 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.219 473 G C 1.351 175.674 174.900 -0.961 0.000 1.677 473 G CA -0.221 44.403 45.100 -0.794 0.000 0.929 473 G HN 0.200 nan 8.290 nan 0.000 0.549 474 I N 1.976 121.680 120.570 -1.442 0.000 2.399 474 I HA -0.202 3.968 4.170 -0.001 0.000 0.254 474 I C 2.885 178.902 176.117 -0.167 0.000 1.146 474 I CA 2.117 62.883 61.300 -0.889 0.000 1.412 474 I CB -0.053 37.590 38.000 -0.595 0.000 1.076 474 I HN 0.386 nan 8.210 nan 0.000 0.432 475 T N -1.659 112.844 114.554 -0.086 0.000 3.007 475 T HA 0.020 4.370 4.350 -0.001 0.000 0.270 475 T C 1.546 176.387 174.700 0.236 0.000 1.107 475 T CA 0.648 62.886 62.100 0.232 0.000 1.118 475 T CB -0.537 68.466 68.868 0.226 0.000 0.889 475 T HN 0.655 nan 8.240 nan 0.000 0.506 476 G N 1.431 110.326 108.800 0.158 0.000 2.176 476 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G C 0.548 175.520 174.900 0.120 0.000 1.024 476 G CA 0.639 45.854 45.100 0.192 0.000 0.755 476 G HN 1.152 nan 8.290 nan 0.000 0.507 477 T N -3.380 111.236 114.554 0.104 0.000 3.215 477 T HA 0.739 5.089 4.350 -0.001 0.000 0.271 477 T C 0.838 175.740 174.700 0.336 0.000 1.012 477 T CA 1.019 63.115 62.100 -0.007 0.000 0.899 477 T CB 0.991 69.657 68.868 -0.336 0.000 1.089 477 T HN 1.569 nan 8.240 nan 0.000 0.552 478 A N 1.274 124.306 122.820 0.354 0.000 2.281 478 A HA 0.691 5.011 4.320 -0.001 0.000 0.329 478 A C 0.179 177.872 177.584 0.183 0.000 1.122 478 A CA -0.960 51.321 52.037 0.406 0.000 0.850 478 A CB 0.901 20.179 19.000 0.463 0.000 1.207 478 A HN 0.382 nan 8.150 nan 0.000 0.495 479 K N -0.085 120.355 120.400 0.067 0.000 2.336 479 K HA 0.128 4.448 4.320 -0.001 0.000 0.262 479 K C 1.070 177.687 176.600 0.028 0.000 0.992 479 K CA 0.353 56.657 56.287 0.028 0.000 0.927 479 K CB 0.361 32.868 32.500 0.011 0.000 0.956 479 K HN 0.743 nan 8.250 nan 0.000 0.495 480 T N 1.456 116.056 114.554 0.077 0.000 2.653 480 T HA -0.206 4.144 4.350 -0.001 0.000 0.268 480 T C 1.669 176.410 174.700 0.068 0.000 1.035 480 T CA 1.876 64.024 62.100 0.079 0.000 1.154 480 T CB -0.416 68.506 68.868 0.090 0.000 0.862 480 T HN 0.686 nan 8.240 nan 0.000 0.441 481 H N 0.474 119.545 119.070 0.001 0.000 2.495 481 H HA 0.107 4.662 4.556 -0.001 0.000 0.287 481 H C 2.033 177.343 175.328 -0.031 0.000 1.033 481 H CA 0.838 56.879 56.048 -0.011 0.000 1.307 481 H CB -0.789 28.961 29.762 -0.019 0.000 1.401 481 H HN 0.280 nan 8.280 nan 0.000 0.555 482 V N 1.146 120.721 119.914 -0.565 0.000 2.407 482 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 482 V C 3.020 178.944 176.094 -0.284 0.000 1.041 482 V CA 1.065 63.065 62.300 -0.499 0.000 1.040 482 V CB -0.411 31.169 31.823 -0.405 0.000 0.671 482 V HN 0.231 nan 8.190 nan 0.000 0.455 483 V N 0.061 119.938 119.914 -0.061 0.000 2.332 483 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 483 V C 2.474 178.555 176.094 -0.021 0.000 1.055 483 V CA 2.018 64.336 62.300 0.029 0.000 1.038 483 V CB -0.582 31.215 31.823 -0.043 0.000 0.651 483 V HN 0.412 nan 8.190 nan 0.000 0.450 484 V N 0.413 120.322 119.914 -0.008 0.000 2.287 484 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 484 V C 2.320 178.436 176.094 0.037 0.000 1.053 484 V CA 2.525 64.851 62.300 0.043 0.000 1.027 484 V CB -0.744 31.114 31.823 0.059 0.000 0.646 484 V HN 0.650 nan 8.190 nan 0.000 0.447 485 D N -1.109 119.270 120.400 -0.035 0.000 2.104 485 D HA -0.220 4.420 4.640 -0.001 0.000 0.194 485 D C 2.011 178.325 176.300 0.023 0.000 0.994 485 D CA 1.629 55.602 54.000 -0.045 0.000 0.830 485 D CB -0.182 40.534 40.800 -0.140 0.000 0.959 485 D HN 0.498 nan 8.370 nan 0.000 0.452 486 Y N 0.944 121.289 120.300 0.076 0.000 2.181 486 Y HA -0.078 4.471 4.550 -0.001 0.000 0.288 486 Y C 2.452 178.336 175.900 -0.026 0.000 1.146 486 Y CA 1.319 59.461 58.100 0.069 0.000 1.164 486 Y CB -0.796 37.778 38.460 0.190 0.000 0.982 486 Y HN 0.160 nan 8.280 nan 0.000 0.515 487 E N 0.093 120.400 120.200 0.179 0.000 2.051 487 E HA -0.258 4.091 4.350 -0.001 0.000 0.192 487 E C 2.004 178.691 176.600 0.145 0.000 0.991 487 E CA 1.451 57.976 56.400 0.207 0.000 0.799 487 E CB -0.057 29.850 29.700 0.344 0.000 0.748 487 E HN 0.575 nan 8.360 nan 0.000 0.449 488 Q N -0.055 119.815 119.800 0.117 0.000 2.084 488 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 488 Q C 2.335 178.376 176.000 0.069 0.000 0.978 488 Q CA 1.422 57.276 55.803 0.085 0.000 0.844 488 Q CB -0.087 28.692 28.738 0.067 0.000 0.898 488 Q HN 0.192 nan 8.270 nan 0.000 0.426 489 R N 0.065 120.610 120.500 0.075 0.000 2.081 489 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 489 R C 2.271 178.592 176.300 0.035 0.000 1.131 489 R CA 1.453 57.590 56.100 0.062 0.000 0.960 489 R CB -0.155 30.204 30.300 0.098 0.000 0.856 489 R HN 0.293 nan 8.270 nan 0.000 0.436 490 M N -0.050 119.562 119.600 0.020 0.000 2.229 490 M HA -0.160 4.319 4.480 -0.001 0.000 0.264 490 M C 2.284 178.583 176.300 -0.002 0.000 1.063 490 M CA 1.313 56.595 55.300 -0.030 0.000 1.114 490 M CB -0.122 32.404 32.600 -0.122 0.000 1.387 490 M HN 0.042 nan 8.290 nan 0.000 0.420 491 Q N 0.977 120.805 119.800 0.046 0.000 2.084 491 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 491 Q C 1.725 177.737 176.000 0.020 0.000 0.978 491 Q CA 1.637 57.476 55.803 0.060 0.000 0.844 491 Q CB -0.097 28.694 28.738 0.089 0.000 0.898 491 Q HN 0.321 nan 8.270 nan 0.000 0.426 492 E N -0.138 120.071 120.200 0.015 0.000 2.110 492 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 492 E C 1.821 178.409 176.600 -0.021 0.000 0.988 492 E CA 1.193 57.592 56.400 -0.002 0.000 0.804 492 E CB -0.487 29.216 29.700 0.005 0.000 0.745 492 E HN 0.461 nan 8.360 nan 0.000 0.458 493 A N 1.064 123.870 122.820 -0.023 0.000 1.902 493 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 493 A C 2.401 179.952 177.584 -0.056 0.000 1.181 493 A CA 1.036 53.049 52.037 -0.041 0.000 0.623 493 A CB -0.690 18.285 19.000 -0.041 0.000 0.818 493 A HN 0.188 nan 8.150 nan 0.000 0.443 494 L N -0.695 120.493 121.223 -0.059 0.000 2.046 494 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 494 L C 2.591 179.388 176.870 -0.122 0.000 1.077 494 L CA 1.739 56.516 54.840 -0.105 0.000 0.747 494 L CB -0.399 41.607 42.059 -0.089 0.000 0.896 494 L HN 0.361 nan 8.230 nan 0.000 0.432 495 K N -0.136 120.218 120.400 -0.077 0.000 2.097 495 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 495 K C 2.240 178.798 176.600 -0.070 0.000 1.049 495 K CA 1.258 57.502 56.287 -0.072 0.000 0.933 495 K CB -0.243 32.229 32.500 -0.047 0.000 0.717 495 K HN 0.284 nan 8.250 nan 0.000 0.442 496 A N 1.168 123.950 122.820 -0.063 0.000 1.877 496 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 496 A C 2.436 179.978 177.584 -0.071 0.000 1.186 496 A CA 1.531 53.530 52.037 -0.064 0.000 0.620 496 A CB -1.022 17.942 19.000 -0.061 0.000 0.822 496 A HN 0.408 nan 8.150 nan 0.000 0.443 497 C N -1.017 118.238 119.300 -0.074 0.000 2.429 497 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 497 C C 2.879 177.837 174.990 -0.053 0.000 1.262 497 C CA 1.287 60.270 59.018 -0.059 0.000 1.733 497 C CB -1.297 26.419 27.740 -0.040 0.000 2.010 497 C HN 0.796 nan 8.230 nan 0.000 0.483 498 Q N 0.240 119.978 119.800 -0.102 0.000 2.096 498 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 498 Q C 2.166 178.176 176.000 0.017 0.000 0.982 498 Q CA 2.044 57.807 55.803 -0.067 0.000 0.850 498 Q CB -0.271 28.395 28.738 -0.119 0.000 0.901 498 Q HN 0.589 nan 8.270 nan 0.000 0.422 499 M N -0.188 119.402 119.600 -0.017 0.000 2.080 499 M HA -0.133 4.346 4.480 -0.001 0.000 0.260 499 M C 1.830 178.127 176.300 -0.005 0.000 1.068 499 M CA 1.557 56.855 55.300 -0.002 0.000 1.109 499 M CB -0.428 32.153 32.600 -0.031 0.000 1.342 499 M HN 0.134 nan 8.290 nan 0.000 0.405 500 V N 0.152 120.031 119.914 -0.059 0.000 2.358 500 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 500 V C 2.428 178.486 176.094 -0.059 0.000 1.047 500 V CA 2.122 64.340 62.300 -0.137 0.000 1.035 500 V CB -0.666 31.055 31.823 -0.171 0.000 0.658 500 V HN 0.555 nan 8.190 nan 0.000 0.452 501 M N 0.251 119.877 119.600 0.042 0.000 2.086 501 M HA -0.260 4.220 4.480 -0.001 0.000 0.261 501 M C 2.370 178.742 176.300 0.120 0.000 1.067 501 M CA 2.399 57.780 55.300 0.135 0.000 1.116 501 M CB -0.443 32.356 32.600 0.332 0.000 1.348 501 M HN 0.543 nan 8.290 nan 0.000 0.407 502 Q N -0.349 119.590 119.800 0.232 0.000 2.172 502 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 502 Q C 1.804 177.981 176.000 0.295 0.000 0.964 502 Q CA 1.052 57.011 55.803 0.260 0.000 0.855 502 Q CB -0.577 28.414 28.738 0.421 0.000 0.918 502 Q HN 0.402 nan 8.270 nan 0.000 0.444 503 Q N 0.639 120.597 119.800 0.262 0.000 2.084 503 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 503 Q C 2.258 178.505 176.000 0.412 0.000 0.978 503 Q CA 1.729 57.756 55.803 0.373 0.000 0.844 503 Q CB -0.228 28.645 28.738 0.224 0.000 0.898 503 Q HN 0.508 nan 8.270 nan 0.000 0.426 504 S N 0.379 116.217 115.700 0.229 0.000 2.368 504 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 504 S C 2.222 176.882 174.600 0.100 0.000 1.029 504 S CA 1.056 59.443 58.200 0.311 0.000 0.988 504 S CB -0.223 63.093 63.200 0.195 0.000 0.838 504 S HN 0.131 nan 8.310 nan 0.000 0.462 505 V N 0.688 120.533 119.914 -0.115 0.000 2.295 505 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 505 V C 1.989 178.075 176.094 -0.015 0.000 1.049 505 V CA 1.851 63.955 62.300 -0.325 0.000 1.024 505 V CB -0.755 30.460 31.823 -1.013 0.000 0.648 505 V HN 0.518 nan 8.190 nan 0.000 0.447 506 Y N 1.114 121.464 120.300 0.084 0.000 2.165 506 Y HA -0.257 4.293 4.550 -0.001 0.000 0.286 506 Y C 2.764 178.737 175.900 0.120 0.000 1.155 506 Y CA 2.241 60.474 58.100 0.223 0.000 1.164 506 Y CB -0.301 38.212 38.460 0.089 0.000 0.978 506 Y HN 0.090 nan 8.280 nan 0.000 0.513 507 R N -0.200 120.290 120.500 -0.016 0.000 2.075 507 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 507 R C 2.118 178.148 176.300 -0.449 0.000 1.126 507 R CA 1.646 57.389 56.100 -0.594 0.000 0.963 507 R CB -0.396 29.540 30.300 -0.607 0.000 0.858 507 R HN 0.434 nan 8.270 nan 0.000 0.435 508 L N 0.190 121.276 121.223 -0.228 0.000 2.291 508 L HA -0.052 4.288 4.340 -0.001 0.000 0.214 508 L C 1.405 178.165 176.870 -0.184 0.000 1.120 508 L CA 0.729 55.390 54.840 -0.298 0.000 0.799 508 L CB 0.135 41.848 42.059 -0.577 0.000 0.925 508 L HN 0.241 nan 8.230 nan 0.000 0.446 509 L N -1.338 119.866 121.223 -0.031 0.000 3.014 509 L HA 0.221 4.561 4.340 -0.001 0.000 0.263 509 L C -0.178 176.752 176.870 0.100 0.000 1.207 509 L CA -0.083 54.825 54.840 0.114 0.000 1.017 509 L CB 0.551 42.834 42.059 0.374 0.000 1.360 509 L HN -0.005 nan 8.230 nan 0.000 0.560 510 T N 0.135 114.662 114.554 -0.044 0.000 2.829 510 T HA 0.188 4.537 4.350 -0.001 0.000 0.280 510 T C -0.150 174.473 174.700 -0.129 0.000 0.999 510 T CA -0.554 61.494 62.100 -0.087 0.000 0.983 510 T CB 2.408 71.161 68.868 -0.192 0.000 0.968 510 T HN 0.008 nan 8.240 nan 0.000 0.446 511 K N 3.823 124.159 120.400 -0.108 0.000 2.491 511 K HA -0.007 4.312 4.320 -0.001 0.000 0.279 511 K C -1.709 174.861 176.600 -0.050 0.000 1.026 511 K CA -1.066 55.172 56.287 -0.081 0.000 1.070 511 K CB 0.449 32.906 32.500 -0.071 0.000 0.887 511 K HN 0.174 nan 8.250 nan 0.000 0.481 512 P HA -0.193 nan 4.420 nan 0.000 0.216 512 P C 0.754 178.069 177.300 0.025 0.000 1.150 512 P CA 1.428 64.508 63.100 -0.034 0.000 0.837 512 P CB 0.150 31.824 31.700 -0.043 0.000 0.786 513 S N -2.163 113.541 115.700 0.007 0.000 2.607 513 S HA 0.047 4.517 4.470 -0.001 0.000 0.224 513 S C 1.665 176.276 174.600 0.019 0.000 0.969 513 S CA 0.522 58.730 58.200 0.013 0.000 0.927 513 S CB -1.120 62.079 63.200 -0.001 0.000 0.772 513 S HN 0.110 nan 8.310 nan 0.000 0.533 514 I N -0.840 119.747 120.570 0.028 0.000 3.616 514 I HA 0.206 4.375 4.170 -0.001 0.000 0.296 514 I C 0.575 176.728 176.117 0.061 0.000 1.226 514 I CA -0.393 60.927 61.300 0.033 0.000 1.394 514 I CB -0.056 37.956 38.000 0.020 0.000 1.171 514 I HN 0.248 nan 8.210 nan 0.000 0.442 515 Y N 2.793 123.042 120.300 -0.085 0.000 2.802 515 Y HA -0.065 4.485 4.550 -0.001 0.000 0.333 515 Y C 0.515 176.389 175.900 -0.044 0.000 1.244 515 Y CA 0.061 58.089 58.100 -0.120 0.000 1.558 515 Y CB 0.378 38.731 38.460 -0.178 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.661 124.122 115.700 -0.398 0.000 2.204 516 S HA 0.351 4.820 4.470 -0.001 0.000 0.147 516 S C -2.817 171.563 174.600 -0.366 0.000 1.711 516 S CA -1.186 56.807 58.200 -0.346 0.000 1.274 516 S CB -0.190 62.933 63.200 -0.128 0.000 1.257 516 S HN 0.652 nan 8.310 nan 0.000 0.404 517 P HA 0.316 nan 4.420 nan 0.000 0.276 517 P C -1.081 175.951 177.300 -0.447 0.000 1.230 517 P CA -0.165 62.665 63.100 -0.449 0.000 0.776 517 P CB 0.799 32.152 31.700 -0.579 0.000 0.888 518 D N 2.246 122.573 120.400 -0.122 0.000 2.373 518 D HA 0.141 4.780 4.640 -0.001 0.000 0.227 518 D C 0.211 176.527 176.300 0.026 0.000 1.091 518 D CA -0.670 53.240 54.000 -0.149 0.000 0.840 518 D CB 0.240 40.975 40.800 -0.108 0.000 1.060 518 D HN 0.057 nan 8.370 nan 0.000 0.502 519 F N 1.673 121.724 119.950 0.168 0.000 2.699 519 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 519 F C 2.447 178.313 175.800 0.109 0.000 1.154 519 F CA 0.506 58.608 58.000 0.170 0.000 1.457 519 F CB -0.373 38.711 39.000 0.141 0.000 1.106 519 F HN 0.388 nan 8.300 nan 0.000 0.585 520 S N -1.587 114.246 115.700 0.222 0.000 2.517 520 S HA 0.085 4.555 4.470 -0.001 0.000 0.214 520 S C 0.417 175.054 174.600 0.061 0.000 0.991 520 S CA -0.378 57.894 58.200 0.121 0.000 0.906 520 S CB -0.626 62.626 63.200 0.086 0.000 0.789 520 S HN 0.094 nan 8.310 nan 0.000 0.513 521 F N 2.921 122.789 119.950 -0.137 0.000 2.375 521 F HA 0.577 5.104 4.527 -0.001 0.000 0.333 521 F C 0.030 175.587 175.800 -0.405 0.000 1.104 521 F CA -0.679 57.107 58.000 -0.356 0.000 1.149 521 F CB 1.496 40.118 39.000 -0.629 0.000 1.190 521 F HN -0.056 nan 8.300 nan 0.000 0.533 522 S N 5.963 120.919 115.700 -1.240 0.000 2.473 522 S HA 0.133 4.602 4.470 -0.001 0.000 0.312 522 S C 0.391 174.339 174.600 -1.087 0.000 1.087 522 S CA -0.334 57.353 58.200 -0.856 0.000 1.077 522 S CB -0.281 62.531 63.200 -0.646 0.000 1.065 522 S HN 0.649 nan 8.310 nan 0.000 0.510 523 Y N 1.598 121.626 120.300 -0.452 0.000 2.314 523 Y HA 0.141 4.691 4.550 -0.001 0.000 0.293 523 Y C 0.379 175.709 175.900 -0.950 0.000 1.129 523 Y CA 0.756 58.456 58.100 -0.666 0.000 1.201 523 Y CB 0.085 38.157 38.460 -0.647 0.000 0.999 523 Y HN 0.492 nan 8.280 nan 0.000 0.541 524 F N -1.410 118.481 119.950 -0.099 0.000 2.599 524 F HA 0.455 4.981 4.527 -0.001 0.000 0.311 524 F C -0.065 175.754 175.800 0.032 0.000 1.076 524 F CA -1.503 56.516 58.000 0.032 0.000 0.937 524 F CB 1.623 40.793 39.000 0.283 0.000 1.282 524 F HN -0.400 nan 8.300 nan 0.000 0.460 525 T N 0.106 114.807 114.554 0.244 0.000 2.888 525 T HA 0.721 5.071 4.350 -0.001 0.000 0.284 525 T C -0.604 174.183 174.700 0.145 0.000 1.017 525 T CA -0.833 61.346 62.100 0.133 0.000 1.022 525 T CB 1.253 70.139 68.868 0.030 0.000 1.013 525 T HN 0.510 nan 8.240 nan 0.000 0.465 526 L N 1.927 123.146 121.223 -0.007 0.000 2.397 526 L HA 0.419 4.758 4.340 -0.001 0.000 0.271 526 L C 0.125 176.953 176.870 -0.069 0.000 1.148 526 L CA -0.302 54.440 54.840 -0.164 0.000 0.825 526 L CB 0.666 42.556 42.059 -0.283 0.000 1.117 526 L HN 0.813 nan 8.230 nan 0.000 0.456 527 D N 1.530 121.893 120.400 -0.063 0.000 2.408 527 D HA 0.214 4.854 4.640 -0.001 0.000 0.243 527 D C -1.265 174.968 176.300 -0.111 0.000 1.075 527 D CA -0.395 53.568 54.000 -0.062 0.000 0.832 527 D CB 1.136 41.935 40.800 -0.002 0.000 1.162 527 D HN 0.292 nan 8.370 nan 0.000 0.515 528 D N 2.398 122.745 120.400 -0.089 0.000 2.481 528 D HA 0.194 4.833 4.640 -0.001 0.000 0.246 528 D C 0.021 176.265 176.300 -0.095 0.000 1.109 528 D CA -0.476 53.503 54.000 -0.035 0.000 0.845 528 D CB 1.915 42.785 40.800 0.115 0.000 1.160 528 D HN 0.262 nan 8.370 nan 0.000 0.534 529 S N 2.670 118.289 115.700 -0.134 0.000 2.527 529 S HA 0.054 4.524 4.470 -0.001 0.000 0.222 529 S C 1.326 175.882 174.600 -0.074 0.000 0.985 529 S CA 0.403 58.513 58.200 -0.151 0.000 0.921 529 S CB 0.425 63.525 63.200 -0.166 0.000 0.772 529 S HN 0.485 nan 8.310 nan 0.000 0.529 530 R N -0.460 120.031 120.500 -0.016 0.000 2.549 530 R HA 0.223 4.563 4.340 -0.001 0.000 0.344 530 R C -0.787 175.593 176.300 0.133 0.000 0.979 530 R CA -0.105 56.011 56.100 0.026 0.000 1.140 530 R CB 0.832 31.139 30.300 0.013 0.000 1.377 530 R HN 0.342 nan 8.270 nan 0.000 0.541 531 W N 1.254 122.514 121.300 -0.067 0.000 3.439 531 W HA 0.288 4.947 4.660 -0.001 0.000 0.323 531 W C -2.915 173.574 176.519 -0.050 0.000 1.174 531 W CA -1.901 55.405 57.345 -0.066 0.000 1.224 531 W CB 1.776 31.208 29.460 -0.046 0.000 1.348 531 W HN -0.197 nan 8.180 nan 0.000 0.498 532 P HA 0.097 nan 4.420 nan 0.000 0.226 532 P C 0.330 177.263 177.300 -0.611 0.000 1.153 532 P CA 1.757 63.978 63.100 -1.465 0.000 0.777 532 P CB 0.269 31.354 31.700 -1.025 0.000 0.794 533 G N -1.198 107.414 108.800 -0.314 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 -0.489 174.349 174.900 -0.105 0.000 1.214 533 G CA -0.559 44.448 45.100 -0.155 0.000 0.796 533 G HN 0.046 nan 8.290 nan 0.000 0.654 534 S N 0.208 115.886 115.700 -0.036 0.000 2.544 534 S HA 0.500 4.969 4.470 -0.001 0.000 0.290 534 S C 1.843 176.443 174.600 -0.001 0.000 1.276 534 S CA 2.088 60.300 58.200 0.019 0.000 1.075 534 S CB 0.086 63.334 63.200 0.079 0.000 0.849 534 S HN 2.681 nan 8.310 nan 0.000 0.494 535 G N 2.907 111.708 108.800 0.002 0.000 2.199 535 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.254 535 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.254 535 G C 0.611 175.489 174.900 -0.037 0.000 0.982 535 G CA 0.349 45.444 45.100 -0.009 0.000 0.632 535 G HN 0.821 nan 8.290 nan 0.000 0.529 536 V N -0.283 119.590 119.914 -0.069 0.000 2.627 536 V HA 0.430 4.549 4.120 -0.001 0.000 0.239 536 V C 0.854 176.887 176.094 -0.101 0.000 1.077 536 V CA 1.800 64.043 62.300 -0.096 0.000 1.103 536 V CB 0.800 32.530 31.823 -0.155 0.000 0.802 536 V HN 0.504 nan 8.190 nan 0.000 0.482 537 E N 0.063 120.192 120.200 -0.119 0.000 2.308 537 E HA 0.183 4.533 4.350 -0.001 0.000 0.275 537 E C -1.598 174.964 176.600 -0.062 0.000 0.890 537 E CA -0.581 55.761 56.400 -0.097 0.000 0.754 537 E CB 1.842 31.458 29.700 -0.140 0.000 1.207 537 E HN 0.179 nan 8.360 nan 0.000 0.426 538 D N 2.747 123.130 120.400 -0.027 0.000 2.435 538 D HA 0.063 4.702 4.640 -0.001 0.000 0.230 538 D C 0.295 176.591 176.300 -0.007 0.000 1.215 538 D CA 0.297 54.300 54.000 0.005 0.000 0.947 538 D CB 0.560 41.371 40.800 0.019 0.000 1.048 538 D HN 0.444 nan 8.370 nan 0.000 0.512 539 S N 2.578 118.264 115.700 -0.023 0.000 2.554 539 S HA 0.170 4.640 4.470 -0.001 0.000 0.227 539 S C 0.938 175.521 174.600 -0.028 0.000 1.050 539 S CA -0.439 57.739 58.200 -0.036 0.000 0.927 539 S CB 0.627 63.786 63.200 -0.069 0.000 0.859 539 S HN 0.226 nan 8.310 nan 0.000 0.494 540 R N 3.041 123.521 120.500 -0.033 0.000 2.491 540 R HA 0.331 4.671 4.340 -0.001 0.000 0.283 540 R C 0.078 176.395 176.300 0.029 0.000 1.072 540 R CA 0.421 56.478 56.100 -0.071 0.000 1.048 540 R CB 0.579 30.705 30.300 -0.289 0.000 0.983 540 R HN 0.522 nan 8.270 nan 0.000 0.450 541 T N -0.485 114.090 114.554 0.035 0.000 2.889 541 T HA 0.178 4.528 4.350 -0.001 0.000 0.291 541 T C 0.296 175.094 174.700 0.162 0.000 0.995 541 T CA -0.743 61.409 62.100 0.088 0.000 1.092 541 T CB 1.405 70.313 68.868 0.068 0.000 0.954 541 T HN 0.344 nan 8.240 nan 0.000 0.506 542 T N 3.805 118.468 114.554 0.181 0.000 2.856 542 T HA 0.367 4.716 4.350 -0.001 0.000 0.292 542 T C 0.518 175.323 174.700 0.175 0.000 0.980 542 T CA -0.511 61.719 62.100 0.218 0.000 1.091 542 T CB 0.185 69.144 68.868 0.153 0.000 0.936 542 T HN 0.576 nan 8.240 nan 0.000 0.503 543 I N 4.004 124.697 120.570 0.206 0.000 2.421 543 I HA 0.196 4.365 4.170 -0.001 0.000 0.291 543 I C 0.181 176.385 176.117 0.146 0.000 1.089 543 I CA -0.030 61.371 61.300 0.169 0.000 1.354 543 I CB 0.191 38.296 38.000 0.175 0.000 1.413 543 I HN 0.450 nan 8.210 nan 0.000 0.513 544 I N 8.085 128.726 120.570 0.119 0.000 2.291 544 I HA 0.308 4.478 4.170 -0.001 0.000 0.290 544 I C -0.141 176.038 176.117 0.103 0.000 1.050 544 I CA -0.185 61.177 61.300 0.103 0.000 1.245 544 I CB 0.466 38.514 38.000 0.080 0.000 1.405 544 I HN 0.390 nan 8.210 nan 0.000 0.478 545 L N 5.732 127.020 121.223 0.109 0.000 2.319 545 L HA 0.952 5.291 4.340 -0.001 0.000 0.267 545 L C 0.181 177.110 176.870 0.098 0.000 1.011 545 L CA -0.695 54.208 54.840 0.106 0.000 0.818 545 L CB 2.159 44.287 42.059 0.116 0.000 1.316 545 L HN 0.685 nan 8.230 nan 0.000 0.432 546 G N -0.028 108.826 108.800 0.090 0.000 2.473 546 G HA2 0.101 4.060 3.960 -0.001 0.000 0.298 546 G HA3 0.101 4.060 3.960 -0.001 0.000 0.298 546 G C -0.215 174.728 174.900 0.072 0.000 1.575 546 G CA -0.462 44.687 45.100 0.082 0.000 0.846 546 G HN 0.692 nan 8.290 nan 0.000 0.585 547 E N -0.078 120.162 120.200 0.066 0.000 2.160 547 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 547 E C 0.700 177.328 176.600 0.048 0.000 0.991 547 E CA 1.405 57.838 56.400 0.055 0.000 0.810 547 E CB 0.155 29.883 29.700 0.048 0.000 0.742 547 E HN 0.450 nan 8.360 nan 0.000 0.466 548 D N -0.283 120.145 120.400 0.047 0.000 2.358 548 D HA 0.109 4.748 4.640 -0.001 0.000 0.224 548 D C 1.168 177.494 176.300 0.043 0.000 1.123 548 D CA 0.140 54.164 54.000 0.041 0.000 0.833 548 D CB 0.865 41.687 40.800 0.036 0.000 0.946 548 D HN 0.326 nan 8.370 nan 0.000 0.505 549 I N -0.816 119.785 120.570 0.051 0.000 4.420 549 I HA 0.112 4.282 4.170 -0.001 0.000 0.292 549 I C -1.369 174.786 176.117 0.063 0.000 1.153 549 I CA 0.071 61.403 61.300 0.053 0.000 1.315 549 I CB 1.295 39.328 38.000 0.053 0.000 1.616 549 I HN -0.171 nan 8.210 nan 0.000 0.450 550 L N 1.795 123.061 121.223 0.072 0.000 2.905 550 L HA 0.443 4.782 4.340 -0.001 0.000 0.260 550 L C -2.606 174.318 176.870 0.090 0.000 0.933 550 L CA -0.760 54.131 54.840 0.085 0.000 1.034 550 L CB 1.625 43.741 42.059 0.095 0.000 1.550 550 L HN -0.178 nan 8.230 nan 0.000 0.480 551 P HA 0.118 nan 4.420 nan 0.000 0.226 551 P C -0.234 177.123 177.300 0.096 0.000 1.161 551 P CA 0.728 63.879 63.100 0.085 0.000 0.804 551 P CB 0.438 32.181 31.700 0.072 0.000 0.829 552 S N -1.930 113.839 115.700 0.115 0.000 2.596 552 S HA 0.732 5.201 4.470 -0.001 0.000 0.270 552 S C -1.252 173.457 174.600 0.181 0.000 1.155 552 S CA -0.692 57.585 58.200 0.128 0.000 0.827 552 S CB 2.568 65.838 63.200 0.116 0.000 1.130 552 S HN -0.150 nan 8.310 nan 0.000 0.467 553 K N 0.666 121.181 120.400 0.193 0.000 2.513 553 K HA 0.555 4.874 4.320 -0.001 0.000 0.251 553 K C -1.970 174.811 176.600 0.301 0.000 0.939 553 K CA -0.249 56.200 56.287 0.269 0.000 0.793 553 K CB 0.908 33.523 32.500 0.193 0.000 1.241 553 K HN 0.842 nan 8.250 nan 0.000 0.431 554 H N 0.958 120.177 119.070 0.249 0.000 2.610 554 H HA 0.418 4.973 4.556 -0.001 0.000 0.336 554 H C -0.186 175.379 175.328 0.395 0.000 1.087 554 H CA -0.089 56.156 56.048 0.327 0.000 1.405 554 H CB 0.944 30.983 29.762 0.462 0.000 1.460 554 H HN 0.396 nan 8.280 nan 0.000 0.538 555 V N 1.105 121.276 119.914 0.428 0.000 2.914 555 V HA 0.774 4.894 4.120 -0.001 0.000 0.314 555 V C -0.680 175.755 176.094 0.569 0.000 1.084 555 V CA -0.875 61.680 62.300 0.425 0.000 0.963 555 V CB 2.093 33.910 31.823 -0.010 0.000 1.025 555 V HN 0.455 nan 8.190 nan 0.000 0.432 556 V N 4.001 124.278 119.914 0.604 0.000 2.709 556 V HA 0.629 4.748 4.120 -0.001 0.000 0.308 556 V C -0.429 176.028 176.094 0.605 0.000 1.062 556 V CA -0.383 62.232 62.300 0.526 0.000 0.901 556 V CB 1.833 33.818 31.823 0.269 0.000 1.003 556 V HN 0.946 nan 8.190 nan 0.000 0.425 557 M N 4.064 123.989 119.600 0.542 0.000 2.336 557 M HA 0.486 4.966 4.480 -0.001 0.000 0.342 557 M C -0.484 176.095 176.300 0.466 0.000 1.128 557 M CA -0.227 55.367 55.300 0.491 0.000 1.016 557 M CB 1.175 34.005 32.600 0.383 0.000 1.665 557 M HN 0.751 nan 8.290 nan 0.000 0.445 558 H N 2.003 121.305 119.070 0.386 0.000 2.469 558 H HA 0.480 5.036 4.556 -0.001 0.000 0.342 558 H C -1.341 174.123 175.328 0.226 0.000 1.115 558 H CA -0.591 55.647 56.048 0.316 0.000 1.204 558 H CB 1.179 31.200 29.762 0.431 0.000 1.492 558 H HN 0.648 nan 8.280 nan 0.000 0.499 559 N N 3.053 121.528 118.700 -0.374 0.000 2.524 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.261 559 N C 0.302 175.481 175.510 -0.552 0.000 0.998 559 N CA -0.309 52.527 53.050 -0.357 0.000 0.915 559 N CB 1.626 40.009 38.487 -0.174 0.000 1.187 559 N HN 0.639 nan 8.380 nan 0.000 0.507 560 T N 2.934 117.217 114.554 -0.452 0.000 3.072 560 T HA 0.175 4.525 4.350 -0.001 0.000 0.266 560 T C 0.693 175.352 174.700 -0.070 0.000 1.127 560 T CA 0.455 62.448 62.100 -0.178 0.000 1.107 560 T CB -0.233 68.663 68.868 0.048 0.000 0.910 560 T HN 0.418 nan 8.240 nan 0.000 0.513 561 L N 2.751 123.881 121.223 -0.156 0.000 2.417 561 L HA 0.315 4.654 4.340 -0.001 0.000 0.268 561 L C -1.627 175.100 176.870 -0.238 0.000 1.158 561 L CA -1.919 52.794 54.840 -0.213 0.000 0.819 561 L CB 0.691 42.485 42.059 -0.442 0.000 1.112 561 L HN -0.039 nan 8.230 nan 0.000 0.458 562 P HA 0.065 nan 4.420 nan 0.000 0.235 562 P C -0.984 176.336 177.300 0.034 0.000 1.725 562 P CA 0.279 63.368 63.100 -0.018 0.000 0.894 562 P CB -0.335 31.410 31.700 0.076 0.000 1.704 563 H N -3.130 115.954 119.070 0.023 0.000 3.012 563 H HA 0.244 4.800 4.556 -0.001 0.000 0.367 563 H C -1.011 174.332 175.328 0.025 0.000 1.211 563 H CA -1.079 55.002 56.048 0.055 0.000 1.139 563 H CB 0.029 29.853 29.762 0.103 0.000 1.838 563 H HN -0.134 nan 8.280 nan 0.000 0.550 564 W N 1.694 123.106 121.300 0.186 0.000 2.314 564 W HA 0.208 4.868 4.660 -0.001 0.000 0.339 564 W C 0.836 177.461 176.519 0.177 0.000 1.293 564 W CA 0.436 57.859 57.345 0.129 0.000 1.288 564 W CB 0.394 29.918 29.460 0.106 0.000 1.186 564 W HN 0.491 nan 8.180 nan 0.000 0.566 565 R N 2.206 122.906 120.500 0.334 0.000 2.621 565 R HA 0.301 4.641 4.340 -0.001 0.000 0.284 565 R C -0.937 175.503 176.300 0.233 0.000 0.998 565 R CA -0.651 55.601 56.100 0.252 0.000 0.895 565 R CB 1.358 31.729 30.300 0.117 0.000 1.195 565 R HN 0.477 nan 8.270 nan 0.000 0.450 566 E N 2.335 122.647 120.200 0.188 0.000 2.191 566 E HA 0.270 4.619 4.350 -0.001 0.000 0.274 566 E C -1.211 175.439 176.600 0.083 0.000 0.948 566 E CA -0.780 55.706 56.400 0.142 0.000 0.802 566 E CB 2.341 32.118 29.700 0.128 0.000 1.137 566 E HN 0.380 nan 8.360 nan 0.000 0.397 567 Q N 2.899 122.725 119.800 0.042 0.000 2.403 567 Q HA 0.224 4.563 4.340 -0.001 0.000 0.267 567 Q C -1.530 174.430 176.000 -0.066 0.000 0.991 567 Q CA -0.560 55.239 55.803 -0.008 0.000 0.906 567 Q CB 1.377 30.102 28.738 -0.022 0.000 1.422 567 Q HN 0.560 nan 8.270 nan 0.000 0.400 568 L N 3.302 124.481 121.223 -0.074 0.000 2.453 568 L HA 0.303 4.643 4.340 -0.001 0.000 0.272 568 L C 0.252 176.990 176.870 -0.220 0.000 1.182 568 L CA -0.199 54.559 54.840 -0.137 0.000 0.858 568 L CB 0.470 42.485 42.059 -0.073 0.000 1.120 568 L HN 0.478 nan 8.230 nan 0.000 0.474 569 V N -0.362 119.318 119.914 -0.389 0.000 2.914 569 V HA 0.704 4.824 4.120 -0.001 0.000 0.314 569 V C -0.907 174.918 176.094 -0.447 0.000 1.084 569 V CA -0.864 61.165 62.300 -0.452 0.000 0.963 569 V CB 2.185 33.696 31.823 -0.520 0.000 1.025 569 V HN 0.803 nan 8.190 nan 0.000 0.432 570 D N 1.570 121.706 120.400 -0.441 0.000 2.671 570 D HA 0.617 5.257 4.640 -0.001 0.000 0.232 570 D C -1.457 174.548 176.300 -0.491 0.000 1.114 570 D CA -0.362 53.488 54.000 -0.249 0.000 0.858 570 D CB 2.491 43.239 40.800 -0.086 0.000 1.544 570 D HN 0.443 nan 8.370 nan 0.000 0.471 571 F N -0.014 119.999 119.950 0.105 0.000 2.588 571 F HA 0.353 4.879 4.527 -0.001 0.000 0.314 571 F C -0.533 175.429 175.800 0.270 0.000 1.069 571 F CA -1.024 57.052 58.000 0.127 0.000 0.931 571 F CB 1.556 40.675 39.000 0.197 0.000 1.260 571 F HN 0.174 nan 8.300 nan 0.000 0.465 572 Y N 1.991 122.447 120.300 0.260 0.000 2.304 572 Y HA 0.576 5.126 4.550 -0.001 0.000 0.328 572 Y C 0.162 176.184 175.900 0.202 0.000 1.123 572 Y CA -1.503 56.700 58.100 0.172 0.000 1.218 572 Y CB 1.043 39.556 38.460 0.090 0.000 1.207 572 Y HN 0.344 nan 8.280 nan 0.000 0.495 573 V N -0.427 119.684 119.914 0.329 0.000 2.962 573 V HA 0.553 4.672 4.120 -0.001 0.000 0.313 573 V C 0.335 176.567 176.094 0.230 0.000 1.099 573 V CA -0.745 61.712 62.300 0.262 0.000 0.971 573 V CB 1.681 33.658 31.823 0.256 0.000 1.028 573 V HN 0.668 nan 8.190 nan 0.000 0.430 574 S N 0.277 116.093 115.700 0.193 0.000 2.593 574 S HA 0.243 4.712 4.470 -0.001 0.000 0.217 574 S C 0.696 175.445 174.600 0.248 0.000 0.966 574 S CA 0.508 58.812 58.200 0.173 0.000 0.914 574 S CB -0.232 63.040 63.200 0.119 0.000 0.776 574 S HN 1.501 nan 8.310 nan 0.000 0.523 575 S N 1.108 116.953 115.700 0.242 0.000 2.546 575 S HA 0.593 5.063 4.470 -0.001 0.000 0.274 575 S C -2.643 171.863 174.600 -0.156 0.000 1.121 575 S CA -1.401 56.830 58.200 0.053 0.000 0.887 575 S CB 1.904 65.137 63.200 0.054 0.000 1.094 575 S HN 0.001 nan 8.310 nan 0.000 0.474 576 P HA 0.189 nan 4.420 nan 0.000 0.236 576 P C -0.201 176.950 177.300 -0.249 0.000 1.177 576 P CA 0.398 63.117 63.100 -0.635 0.000 0.773 576 P CB -0.181 30.849 31.700 -1.116 0.000 0.878 577 F N 0.705 120.671 119.950 0.025 0.000 2.509 577 F HA 0.269 4.796 4.527 -0.001 0.000 0.344 577 F C 0.447 176.293 175.800 0.076 0.000 1.197 577 F CA -1.111 56.932 58.000 0.072 0.000 1.294 577 F CB -0.100 38.909 39.000 0.014 0.000 1.643 577 F HN -0.335 nan 8.300 nan 0.000 0.596 578 V N 1.076 121.124 119.914 0.222 0.000 2.709 578 V HA 0.658 4.777 4.120 -0.001 0.000 0.308 578 V C -0.301 175.859 176.094 0.110 0.000 1.062 578 V CA -0.841 61.548 62.300 0.148 0.000 0.901 578 V CB 2.294 34.197 31.823 0.133 0.000 1.003 578 V HN 0.513 nan 8.190 nan 0.000 0.425 579 S N 3.140 118.886 115.700 0.077 0.000 2.600 579 S HA 0.896 5.366 4.470 -0.001 0.000 0.300 579 S C -0.969 173.614 174.600 -0.029 0.000 1.087 579 S CA -0.813 57.412 58.200 0.041 0.000 0.965 579 S CB 2.113 65.356 63.200 0.071 0.000 1.089 579 S HN 0.445 nan 8.310 nan 0.000 0.496 580 V N 1.872 121.731 119.914 -0.092 0.000 2.555 580 V HA 0.787 4.907 4.120 -0.001 0.000 0.302 580 V C 0.052 176.058 176.094 -0.146 0.000 1.038 580 V CA -0.468 61.697 62.300 -0.226 0.000 0.887 580 V CB 1.579 33.070 31.823 -0.554 0.000 0.991 580 V HN 1.200 nan 8.190 nan 0.000 0.434 581 T N -0.418 114.070 114.554 -0.110 0.000 2.906 581 T HA 0.650 5.000 4.350 -0.001 0.000 0.295 581 T C -0.748 173.937 174.700 -0.025 0.000 1.075 581 T CA -0.909 61.151 62.100 -0.067 0.000 1.005 581 T CB 2.040 70.859 68.868 -0.082 0.000 1.136 581 T HN 0.716 nan 8.240 nan 0.000 0.498 582 D N 0.662 121.019 120.400 -0.072 0.000 2.447 582 D HA 0.188 4.827 4.640 -0.001 0.000 0.265 582 D C 0.939 177.096 176.300 -0.239 0.000 1.250 582 D CA -1.104 52.725 54.000 -0.286 0.000 1.046 582 D CB 0.253 40.875 40.800 -0.297 0.000 1.095 582 D HN 0.308 nan 8.370 nan 0.000 0.555 583 L N -0.678 120.385 121.223 -0.266 0.000 2.599 583 L HA 0.260 4.599 4.340 -0.001 0.000 0.230 583 L C 1.812 178.600 176.870 -0.136 0.000 1.141 583 L CA 0.749 55.474 54.840 -0.192 0.000 0.877 583 L CB -0.933 41.018 42.059 -0.180 0.000 1.009 583 L HN 0.632 nan 8.230 nan 0.000 0.447 584 A N -1.117 121.629 122.820 -0.123 0.000 2.337 584 A HA 0.123 4.442 4.320 -0.001 0.000 0.227 584 A C 1.185 178.722 177.584 -0.079 0.000 1.259 584 A CA 0.458 52.442 52.037 -0.089 0.000 0.870 584 A CB -0.579 18.375 19.000 -0.076 0.000 0.927 584 A HN 0.505 nan 8.150 nan 0.000 0.497 585 N N -0.312 118.334 118.700 -0.090 0.000 2.800 585 N HA -0.141 4.599 4.740 -0.001 0.000 0.250 585 N C -1.011 174.456 175.510 -0.071 0.000 1.078 585 N CA 0.868 53.873 53.050 -0.075 0.000 0.804 585 N CB -1.881 36.572 38.487 -0.056 0.000 1.135 585 N HN 0.547 nan 8.380 nan 0.000 0.565 586 N N 1.230 119.884 118.700 -0.076 0.000 2.475 586 N HA 0.219 4.959 4.740 -0.001 0.000 0.267 586 N C -2.469 172.978 175.510 -0.105 0.000 1.169 586 N CA -0.679 52.322 53.050 -0.080 0.000 0.947 586 N CB 0.525 38.975 38.487 -0.062 0.000 1.061 586 N HN 0.259 nan 8.380 nan 0.000 0.466 587 P HA 0.078 nan 4.420 nan 0.000 0.269 587 P C -0.440 176.731 177.300 -0.215 0.000 1.209 587 P CA -0.114 62.817 63.100 -0.282 0.000 0.776 587 P CB 0.730 31.999 31.700 -0.717 0.000 0.876 588 V N 2.192 122.023 119.914 -0.138 0.000 2.540 588 V HA 0.221 4.341 4.120 -0.001 0.000 0.302 588 V C 0.341 176.429 176.094 -0.010 0.000 1.035 588 V CA -0.822 61.455 62.300 -0.038 0.000 0.873 588 V CB 1.469 33.292 31.823 -0.000 0.000 0.992 588 V HN 0.546 nan 8.190 nan 0.000 0.428 589 E N 3.010 123.242 120.200 0.054 0.000 2.414 589 E HA 0.477 4.826 4.350 -0.001 0.000 0.263 589 E C -0.236 176.433 176.600 0.116 0.000 1.000 589 E CA 0.079 56.541 56.400 0.103 0.000 0.914 589 E CB 0.881 30.645 29.700 0.108 0.000 0.948 589 E HN 0.888 nan 8.360 nan 0.000 0.444 590 A N 4.282 127.161 122.820 0.097 0.000 2.515 590 A HA 0.420 4.740 4.320 -0.001 0.000 0.296 590 A C -1.321 176.286 177.584 0.037 0.000 1.094 590 A CA -0.719 51.386 52.037 0.114 0.000 0.718 590 A CB 1.943 21.004 19.000 0.102 0.000 1.307 590 A HN 0.670 nan 8.150 nan 0.000 0.408 591 Q N 0.929 120.759 119.800 0.050 0.000 2.337 591 Q HA 0.648 4.987 4.340 -0.001 0.000 0.270 591 Q C -2.008 173.993 176.000 0.001 0.000 1.043 591 Q CA -0.540 55.252 55.803 -0.017 0.000 0.794 591 Q CB 2.144 30.907 28.738 0.042 0.000 1.281 591 Q HN 0.571 nan 8.270 nan 0.000 0.446 592 V N 2.668 122.517 119.914 -0.108 0.000 2.483 592 V HA 0.583 4.702 4.120 -0.001 0.000 0.295 592 V C -0.538 175.738 176.094 0.303 0.000 1.035 592 V CA -0.305 62.042 62.300 0.078 0.000 0.896 592 V CB 1.843 33.675 31.823 0.015 0.000 0.986 592 V HN 0.858 nan 8.190 nan 0.000 0.447 593 S N 5.033 120.934 115.700 0.335 0.000 2.632 593 S HA 0.686 5.156 4.470 -0.001 0.000 0.289 593 S C -2.792 171.849 174.600 0.069 0.000 1.115 593 S CA -1.194 57.176 58.200 0.282 0.000 0.889 593 S CB 2.395 65.716 63.200 0.201 0.000 1.116 593 S HN 0.534 nan 8.310 nan 0.000 0.486 594 P HA 0.245 nan 4.420 nan 0.000 0.273 594 P C -1.146 175.812 177.300 -0.570 0.000 1.250 594 P CA -0.498 62.197 63.100 -0.675 0.000 0.793 594 P CB 0.362 31.265 31.700 -1.329 0.000 1.011 595 V N 1.618 121.126 119.914 -0.677 0.000 2.348 595 V HA 0.205 4.325 4.120 -0.001 0.000 0.270 595 V C -0.538 175.239 176.094 -0.529 0.000 1.037 595 V CA -0.188 61.798 62.300 -0.522 0.000 0.872 595 V CB -0.321 31.105 31.823 -0.663 0.000 1.002 595 V HN 0.521 nan 8.190 nan 0.000 0.464 596 W N 3.502 124.703 121.300 -0.165 0.000 2.478 596 W HA 0.638 5.298 4.660 -0.001 0.000 0.318 596 W C 0.421 176.844 176.519 -0.160 0.000 1.062 596 W CA -0.404 56.823 57.345 -0.196 0.000 1.210 596 W CB 1.939 31.296 29.460 -0.172 0.000 1.325 596 W HN 0.588 nan 8.180 nan 0.000 0.496 597 S N 1.419 117.123 115.700 0.006 0.000 2.568 597 S HA 0.635 5.104 4.470 -0.001 0.000 0.293 597 S C -1.455 172.904 174.600 -0.403 0.000 1.089 597 S CA -0.946 57.188 58.200 -0.110 0.000 0.945 597 S CB 1.349 64.453 63.200 -0.161 0.000 1.077 597 S HN 0.423 nan 8.310 nan 0.000 0.485 598 W N 1.214 122.270 121.300 -0.408 0.000 2.551 598 W HA 0.565 5.225 4.660 -0.001 0.000 0.330 598 W C 0.085 176.262 176.519 -0.570 0.000 1.063 598 W CA -0.182 56.931 57.345 -0.388 0.000 1.222 598 W CB 1.113 30.464 29.460 -0.181 0.000 1.349 598 W HN 0.630 nan 8.180 nan 0.000 0.536 599 H N 1.378 120.497 119.070 0.083 0.000 2.667 599 H HA 0.111 4.667 4.556 -0.001 0.000 0.353 599 H C -1.039 174.358 175.328 0.114 0.000 1.072 599 H CA -1.060 55.001 56.048 0.021 0.000 1.214 599 H CB 1.618 31.291 29.762 -0.148 0.000 1.600 599 H HN 0.431 nan 8.280 nan 0.000 0.527 600 H N 2.339 121.524 119.070 0.191 0.000 2.934 600 H HA 0.054 4.609 4.556 -0.001 0.000 0.273 600 H C -0.451 174.975 175.328 0.163 0.000 1.121 600 H CA -0.233 55.914 56.048 0.165 0.000 1.451 600 H CB 0.244 30.071 29.762 0.108 0.000 1.469 600 H HN 0.402 nan 8.280 nan 0.000 0.476 601 D N 3.729 124.018 120.400 -0.185 0.000 2.352 601 D HA -0.031 4.608 4.640 -0.001 0.000 0.245 601 D C 0.962 177.027 176.300 -0.392 0.000 1.224 601 D CA 0.143 54.065 54.000 -0.129 0.000 0.879 601 D CB 0.664 41.552 40.800 0.146 0.000 1.057 601 D HN 0.787 nan 8.370 nan 0.000 0.491 602 T N 1.423 115.806 114.554 -0.285 0.000 3.072 602 T HA -0.085 4.265 4.350 -0.001 0.000 0.266 602 T C 1.869 176.518 174.700 -0.085 0.000 1.127 602 T CA 0.060 62.052 62.100 -0.180 0.000 1.107 602 T CB 0.181 69.032 68.868 -0.027 0.000 0.910 602 T HN 0.234 nan 8.240 nan 0.000 0.513 603 L N 2.486 123.664 121.223 -0.074 0.000 1.993 603 L HA 0.045 4.384 4.340 -0.001 0.000 0.206 603 L C 3.041 179.883 176.870 -0.047 0.000 1.074 603 L CA 2.394 57.208 54.840 -0.045 0.000 0.746 603 L CB -1.877 40.161 42.059 -0.035 0.000 0.896 603 L HN 0.548 nan 8.230 nan 0.000 0.435 604 T N -3.881 110.635 114.554 -0.063 0.000 3.088 604 T HA -0.010 4.340 4.350 -0.001 0.000 0.259 604 T C 0.763 175.440 174.700 -0.039 0.000 1.122 604 T CA -0.168 61.896 62.100 -0.060 0.000 1.095 604 T CB 0.068 68.876 68.868 -0.100 0.000 0.930 604 T HN 0.142 nan 8.240 nan 0.000 0.508 605 K N 2.044 122.409 120.400 -0.058 0.000 3.096 605 K HA -0.125 4.194 4.320 -0.001 0.000 0.266 605 K C 0.126 176.775 176.600 0.082 0.000 1.043 605 K CA 1.247 57.544 56.287 0.016 0.000 0.758 605 K CB -2.839 29.703 32.500 0.069 0.000 1.260 605 K HN 0.877 nan 8.250 nan 0.000 0.481 606 T N -2.817 111.764 114.554 0.045 0.000 2.901 606 T HA 0.812 5.161 4.350 -0.001 0.000 0.293 606 T C 0.287 175.155 174.700 0.280 0.000 1.084 606 T CA -1.065 61.123 62.100 0.146 0.000 1.008 606 T CB 2.260 71.165 68.868 0.061 0.000 1.170 606 T HN 0.140 nan 8.240 nan 0.000 0.509 607 I N 2.775 123.554 120.570 0.348 0.000 2.355 607 I HA 0.531 4.700 4.170 -0.001 0.000 0.288 607 I C -0.230 176.214 176.117 0.545 0.000 0.999 607 I CA -0.705 60.854 61.300 0.432 0.000 1.163 607 I CB 0.751 38.955 38.000 0.340 0.000 1.316 607 I HN 0.952 nan 8.210 nan 0.000 0.454 608 H N 5.796 125.034 119.070 0.280 0.000 3.037 608 H HA 0.646 5.202 4.556 -0.001 0.000 0.355 608 H C -3.172 171.944 175.328 -0.354 0.000 1.263 608 H CA -2.226 53.821 56.048 -0.002 0.000 1.129 608 H CB 2.001 31.756 29.762 -0.011 0.000 1.861 608 H HN 0.160 nan 8.280 nan 0.000 0.546 609 P HA 0.210 nan 4.420 nan 0.000 0.290 609 P C -1.041 176.072 177.300 -0.311 0.000 1.275 609 P CA -0.657 61.825 63.100 -1.030 0.000 0.841 609 P CB 1.845 32.623 31.700 -1.537 0.000 1.042 610 Q N 0.623 120.367 119.800 -0.094 0.000 2.353 610 Q HA 0.570 4.909 4.340 -0.001 0.000 0.268 610 Q C 0.070 176.124 176.000 0.090 0.000 1.045 610 Q CA -0.530 55.333 55.803 0.100 0.000 0.811 610 Q CB 2.788 31.599 28.738 0.120 0.000 1.305 610 Q HN 0.608 nan 8.270 nan 0.000 0.447 611 G N 0.630 109.368 108.800 -0.104 0.000 2.389 611 G HA2 0.347 4.306 3.960 -0.001 0.000 0.317 611 G HA3 0.347 4.306 3.960 -0.001 0.000 0.317 611 G C -0.315 174.320 174.900 -0.441 0.000 1.137 611 G CA -0.298 44.405 45.100 -0.662 0.000 0.870 611 G HN 0.422 nan 8.290 nan 0.000 0.496 612 S N -0.528 114.854 115.700 -0.529 0.000 2.576 612 S HA 0.307 4.777 4.470 -0.001 0.000 0.276 612 S C 1.579 175.916 174.600 -0.439 0.000 1.339 612 S CA 0.260 58.195 58.200 -0.443 0.000 1.039 612 S CB 0.704 63.583 63.200 -0.535 0.000 0.902 612 S HN 0.884 nan 8.310 nan 0.000 0.516 613 T N -0.078 114.300 114.554 -0.294 0.000 3.054 613 T HA 0.150 4.499 4.350 -0.001 0.000 0.255 613 T C 1.138 175.733 174.700 -0.176 0.000 1.035 613 T CA 0.447 62.438 62.100 -0.182 0.000 0.941 613 T CB -0.175 68.645 68.868 -0.081 0.000 1.026 613 T HN 0.686 nan 8.240 nan 0.000 0.533 614 T N -1.191 113.167 114.554 -0.327 0.000 2.958 614 T HA 0.320 4.669 4.350 -0.001 0.000 0.256 614 T C 0.309 174.796 174.700 -0.355 0.000 0.983 614 T CA -0.469 61.496 62.100 -0.224 0.000 0.924 614 T CB 0.112 68.899 68.868 -0.135 0.000 1.136 614 T HN 0.639 nan 8.240 nan 0.000 0.506 615 K N -0.086 119.882 120.400 -0.720 0.000 2.482 615 K HA 0.692 5.011 4.320 -0.001 0.000 0.257 615 K C -2.027 173.868 176.600 -1.176 0.000 0.969 615 K CA -1.056 54.825 56.287 -0.678 0.000 0.842 615 K CB 1.806 34.067 32.500 -0.398 0.000 1.359 615 K HN 0.118 nan 8.250 nan 0.000 0.441 616 Y N -0.314 119.893 120.300 -0.156 0.000 2.588 616 Y HA 0.454 5.004 4.550 -0.001 0.000 0.343 616 Y C -0.470 175.427 175.900 -0.004 0.000 1.065 616 Y CA -1.143 56.895 58.100 -0.103 0.000 1.038 616 Y CB 2.333 40.805 38.460 0.020 0.000 1.297 616 Y HN 0.363 nan 8.280 nan 0.000 0.467 617 R N 1.784 122.402 120.500 0.197 0.000 2.294 617 R HA 0.582 4.921 4.340 -0.001 0.000 0.319 617 R C -1.225 175.243 176.300 0.280 0.000 0.984 617 R CA -0.653 55.614 56.100 0.277 0.000 0.861 617 R CB 1.686 32.125 30.300 0.231 0.000 1.104 617 R HN 0.656 nan 8.270 nan 0.000 0.451 618 I N 4.261 125.020 120.570 0.316 0.000 2.412 618 I HA 0.426 4.596 4.170 -0.001 0.000 0.296 618 I C -1.036 175.269 176.117 0.312 0.000 0.987 618 I CA -0.804 60.674 61.300 0.297 0.000 1.180 618 I CB 1.063 39.252 38.000 0.314 0.000 1.340 618 I HN 0.537 nan 8.210 nan 0.000 0.455 619 I N 8.033 128.755 120.570 0.253 0.000 2.545 619 I HA 0.530 4.700 4.170 -0.001 0.000 0.292 619 I C -1.007 175.259 176.117 0.248 0.000 1.040 619 I CA -0.509 60.888 61.300 0.161 0.000 1.068 619 I CB 1.757 39.813 38.000 0.093 0.000 1.251 619 I HN 0.516 nan 8.210 nan 0.000 0.424 620 F N 2.517 122.493 119.950 0.042 0.000 2.713 620 F HA 0.567 5.093 4.527 -0.001 0.000 0.311 620 F C -1.110 174.673 175.800 -0.028 0.000 1.141 620 F CA -1.290 56.713 58.000 0.004 0.000 0.939 620 F CB 1.286 40.276 39.000 -0.016 0.000 1.325 620 F HN 0.207 nan 8.300 nan 0.000 0.453 621 K N 1.972 122.459 120.400 0.145 0.000 2.312 621 K HA 0.727 5.046 4.320 -0.001 0.000 0.287 621 K C -0.641 176.003 176.600 0.074 0.000 1.062 621 K CA -0.314 56.000 56.287 0.045 0.000 0.934 621 K CB 0.879 33.437 32.500 0.097 0.000 1.027 621 K HN 0.919 nan 8.250 nan 0.000 0.478 622 A N 4.673 127.449 122.820 -0.073 0.000 2.301 622 A HA 0.402 4.722 4.320 -0.001 0.000 0.312 622 A C -0.659 177.060 177.584 0.224 0.000 1.182 622 A CA -0.678 51.379 52.037 0.034 0.000 0.826 622 A CB 0.668 19.650 19.000 -0.029 0.000 1.134 622 A HN 0.871 nan 8.150 nan 0.000 0.501 623 R N 2.234 122.980 120.500 0.410 0.000 2.360 623 R HA 0.602 4.942 4.340 -0.001 0.000 0.318 623 R C -1.880 174.688 176.300 0.448 0.000 0.950 623 R CA -0.232 56.100 56.100 0.387 0.000 0.837 623 R CB 1.236 31.745 30.300 0.348 0.000 1.165 623 R HN 0.491 nan 8.270 nan 0.000 0.458 624 V N 6.247 126.383 119.914 0.371 0.000 2.588 624 V HA 0.445 4.564 4.120 -0.001 0.000 0.304 624 V C -2.263 173.745 176.094 -0.143 0.000 1.042 624 V CA -2.331 60.079 62.300 0.183 0.000 0.877 624 V CB 1.886 33.790 31.823 0.134 0.000 0.996 624 V HN 0.787 nan 8.190 nan 0.000 0.425 625 P HA 0.209 nan 4.420 nan 0.000 0.271 625 P C -2.730 174.087 177.300 -0.804 0.000 1.233 625 P CA -1.323 60.898 63.100 -1.465 0.000 0.789 625 P CB -0.249 30.802 31.700 -1.083 0.000 0.951 626 P HA 0.061 nan 4.420 nan 0.000 0.263 626 P C 0.128 177.387 177.300 -0.069 0.000 1.195 626 P CA 0.698 63.605 63.100 -0.321 0.000 0.762 626 P CB -0.276 31.304 31.700 -0.201 0.000 0.799 627 M N 0.317 119.914 119.600 -0.004 0.000 2.333 627 M HA -0.214 4.266 4.480 -0.001 0.000 0.199 627 M C 0.573 177.081 176.300 0.347 0.000 0.376 627 M CA 1.027 56.467 55.300 0.234 0.000 0.440 627 M CB -2.070 30.749 32.600 0.366 0.000 1.506 627 M HN 0.585 nan 8.290 nan 0.000 0.889 628 G N -0.197 108.665 108.800 0.103 0.000 3.022 628 G HA2 0.934 4.894 3.960 -0.001 0.000 0.284 628 G HA3 0.934 4.894 3.960 -0.001 0.000 0.284 628 G C -1.353 173.682 174.900 0.226 0.000 1.375 628 G CA -0.969 44.164 45.100 0.056 0.000 0.902 628 G HN 0.170 nan 8.290 nan 0.000 0.538 629 L N -0.486 120.855 121.223 0.197 0.000 2.388 629 L HA 0.801 5.140 4.340 -0.001 0.000 0.264 629 L C -0.247 176.726 176.870 0.172 0.000 0.998 629 L CA -1.025 53.962 54.840 0.245 0.000 0.817 629 L CB 2.487 44.693 42.059 0.245 0.000 1.338 629 L HN 0.764 nan 8.230 nan 0.000 0.414 630 A N 0.828 123.789 122.820 0.235 0.000 2.427 630 A HA 0.800 5.119 4.320 -0.001 0.000 0.298 630 A C -0.777 176.960 177.584 0.255 0.000 1.036 630 A CA -0.447 51.713 52.037 0.204 0.000 0.701 630 A CB 1.713 20.884 19.000 0.284 0.000 1.250 630 A HN 0.555 nan 8.150 nan 0.000 0.412 631 T N 2.143 116.742 114.554 0.075 0.000 2.829 631 T HA 0.646 4.996 4.350 -0.001 0.000 0.282 631 T C -1.040 173.566 174.700 -0.155 0.000 0.990 631 T CA 0.270 62.452 62.100 0.137 0.000 1.028 631 T CB 0.335 69.275 68.868 0.121 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.310 120.689 120.300 0.132 0.000 2.605 632 Y HA 0.665 5.215 4.550 -0.001 0.000 0.343 632 Y C -0.349 175.468 175.900 -0.138 0.000 1.036 632 Y CA -1.151 56.941 58.100 -0.013 0.000 1.065 632 Y CB 1.731 40.204 38.460 0.021 0.000 1.288 632 Y HN 0.302 nan 8.280 nan 0.000 0.481 633 V N 3.166 123.039 119.914 -0.068 0.000 2.588 633 V HA 0.432 4.551 4.120 -0.001 0.000 0.304 633 V C -0.781 175.254 176.094 -0.098 0.000 1.042 633 V CA -0.943 61.258 62.300 -0.164 0.000 0.877 633 V CB 1.746 33.405 31.823 -0.273 0.000 0.996 633 V HN 0.496 nan 8.190 nan 0.000 0.425 634 L N 3.950 125.144 121.223 -0.049 0.000 2.296 634 L HA 0.681 5.021 4.340 -0.001 0.000 0.286 634 L C -0.100 176.787 176.870 0.029 0.000 1.023 634 L CA -0.119 54.707 54.840 -0.024 0.000 0.812 634 L CB 1.815 43.873 42.059 -0.001 0.000 1.223 634 L HN 0.605 nan 8.230 nan 0.000 0.421 635 T N 3.754 118.329 114.554 0.034 0.000 2.848 635 T HA 0.455 4.805 4.350 -0.001 0.000 0.285 635 T C -0.242 174.507 174.700 0.082 0.000 0.995 635 T CA -0.378 61.757 62.100 0.057 0.000 0.970 635 T CB 2.326 71.218 68.868 0.040 0.000 0.976 635 T HN 0.379 nan 8.240 nan 0.000 0.441 636 I N 3.208 123.835 120.570 0.095 0.000 2.581 636 I HA 0.523 4.693 4.170 -0.001 0.000 0.288 636 I C 0.343 176.525 176.117 0.108 0.000 1.047 636 I CA 0.159 61.531 61.300 0.120 0.000 1.374 636 I CB 0.746 38.820 38.000 0.123 0.000 1.423 636 I HN 0.820 nan 8.210 nan 0.000 0.549 637 S N 3.350 119.130 115.700 0.134 0.000 2.704 637 S HA 0.349 4.819 4.470 -0.001 0.000 0.296 637 S C 0.147 174.781 174.600 0.056 0.000 1.138 637 S CA -0.494 57.752 58.200 0.076 0.000 0.875 637 S CB 1.548 64.776 63.200 0.046 0.000 1.151 637 S HN 0.705 nan 8.310 nan 0.000 0.500 638 D N 0.344 120.719 120.400 -0.043 0.000 2.317 638 D HA 0.082 4.722 4.640 -0.001 0.000 0.211 638 D C 0.891 176.933 176.300 -0.429 0.000 0.966 638 D CA 0.915 54.847 54.000 -0.114 0.000 0.876 638 D CB -0.304 40.446 40.800 -0.084 0.000 0.927 638 D HN 0.636 nan 8.370 nan 0.000 0.519 639 S N -1.577 113.799 115.700 -0.541 0.000 2.705 639 S HA 0.385 4.854 4.470 -0.001 0.000 0.280 639 S C -0.616 173.603 174.600 -0.635 0.000 1.174 639 S CA -1.209 56.423 58.200 -0.948 0.000 0.823 639 S CB 1.589 64.489 63.200 -0.500 0.000 1.162 639 S HN -0.066 nan 8.310 nan 0.000 0.487 640 K N 1.956 122.077 120.400 -0.466 0.000 2.440 640 K HA 0.125 4.445 4.320 -0.001 0.000 0.275 640 K C -2.391 174.248 176.600 0.065 0.000 1.082 640 K CA -0.423 55.900 56.287 0.060 0.000 1.135 640 K CB -0.612 31.940 32.500 0.087 0.000 0.864 640 K HN 0.376 nan 8.250 nan 0.000 0.479 641 P HA -0.018 nan 4.420 nan 0.000 0.272 641 P C 0.534 177.861 177.300 0.044 0.000 1.223 641 P CA -0.258 62.896 63.100 0.091 0.000 0.784 641 P CB 0.724 32.500 31.700 0.127 0.000 0.923 642 E N 1.210 121.394 120.200 -0.026 0.000 2.118 642 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 642 E C 0.503 176.931 176.600 -0.287 0.000 0.992 642 E CA 1.186 57.474 56.400 -0.185 0.000 0.804 642 E CB -0.028 29.489 29.700 -0.306 0.000 0.741 642 E HN 0.503 nan 8.360 nan 0.000 0.458 643 H N -0.752 118.331 119.070 0.021 0.000 2.505 643 H HA 0.223 4.779 4.556 -0.001 0.000 0.286 643 H C -0.444 174.881 175.328 -0.006 0.000 1.072 643 H CA 0.137 56.191 56.048 0.011 0.000 1.141 643 H CB 0.769 30.536 29.762 0.009 0.000 1.550 643 H HN -0.050 nan 8.280 nan 0.000 0.547 644 T N 1.524 116.104 114.554 0.045 0.000 2.792 644 T HA 0.318 4.667 4.350 -0.001 0.000 0.280 644 T C 0.330 174.915 174.700 -0.190 0.000 0.990 644 T CA -0.683 61.373 62.100 -0.073 0.000 0.960 644 T CB 2.146 70.964 68.868 -0.083 0.000 0.939 644 T HN 0.278 nan 8.240 nan 0.000 0.439 645 S N 2.328 117.873 115.700 -0.258 0.000 2.718 645 S HA 0.787 5.257 4.470 -0.001 0.000 0.300 645 S C -1.416 172.851 174.600 -0.556 0.000 1.117 645 S CA -0.809 57.246 58.200 -0.242 0.000 1.002 645 S CB 0.892 64.064 63.200 -0.047 0.000 1.092 645 S HN 0.575 nan 8.310 nan 0.000 0.542 646 Y N -0.008 120.304 120.300 0.020 0.000 2.391 646 Y HA 0.651 5.201 4.550 -0.001 0.000 0.341 646 Y C 0.581 176.539 175.900 0.097 0.000 0.965 646 Y CA -0.777 57.324 58.100 0.001 0.000 1.067 646 Y CB 1.700 40.025 38.460 -0.224 0.000 1.199 646 Y HN 1.041 nan 8.280 nan 0.000 0.450 647 A N 2.019 125.033 122.820 0.323 0.000 2.445 647 A HA 0.471 4.790 4.320 -0.001 0.000 0.242 647 A C 0.315 178.096 177.584 0.327 0.000 1.075 647 A CA -0.259 51.950 52.037 0.287 0.000 0.777 647 A CB -0.087 19.081 19.000 0.281 0.000 1.013 647 A HN 0.770 nan 8.150 nan 0.000 0.493 648 S N 1.984 117.814 115.700 0.217 0.000 2.632 648 S HA 0.530 5.000 4.470 -0.001 0.000 0.271 648 S C -0.332 174.366 174.600 0.165 0.000 1.260 648 S CA -0.872 57.441 58.200 0.188 0.000 1.010 648 S CB 0.729 63.998 63.200 0.115 0.000 0.965 648 S HN 0.692 nan 8.310 nan 0.000 0.534 649 N N 0.487 119.263 118.700 0.126 0.000 2.310 649 N HA 0.488 5.227 4.740 -0.001 0.000 0.292 649 N C -1.987 173.474 175.510 -0.082 0.000 1.049 649 N CA -0.531 52.553 53.050 0.056 0.000 0.849 649 N CB 2.039 40.647 38.487 0.202 0.000 1.532 649 N HN 0.589 nan 8.380 nan 0.000 0.479 650 L N 2.558 123.687 121.223 -0.156 0.000 2.406 650 L HA 0.489 4.829 4.340 -0.001 0.000 0.272 650 L C -1.548 175.170 176.870 -0.253 0.000 0.980 650 L CA -0.544 54.175 54.840 -0.202 0.000 0.831 650 L CB 1.526 43.520 42.059 -0.107 0.000 1.253 650 L HN 0.430 nan 8.230 nan 0.000 0.406 651 L N 6.656 127.679 121.223 -0.333 0.000 2.265 651 L HA 0.470 4.810 4.340 -0.001 0.000 0.289 651 L C -1.199 175.645 176.870 -0.042 0.000 1.033 651 L CA -0.409 54.297 54.840 -0.223 0.000 0.814 651 L CB 1.262 43.177 42.059 -0.240 0.000 1.203 651 L HN 0.689 nan 8.230 nan 0.000 0.423 652 L N 6.958 128.175 121.223 -0.010 0.000 2.262 652 L HA 0.552 4.892 4.340 -0.001 0.000 0.288 652 L C -0.316 176.595 176.870 0.068 0.000 1.035 652 L CA -0.515 54.349 54.840 0.040 0.000 0.820 652 L CB 0.998 43.072 42.059 0.026 0.000 1.204 652 L HN 0.655 nan 8.230 nan 0.000 0.424 653 R N 1.969 122.521 120.500 0.086 0.000 2.728 653 R HA 0.397 4.737 4.340 -0.001 0.000 0.259 653 R C -1.657 174.681 176.300 0.063 0.000 1.057 653 R CA -1.001 55.143 56.100 0.075 0.000 0.908 653 R CB 1.087 31.432 30.300 0.075 0.000 1.259 653 R HN 0.158 nan 8.270 nan 0.000 0.472 654 K N 1.598 122.022 120.400 0.041 0.000 2.202 654 K HA 0.124 4.443 4.320 -0.001 0.000 0.264 654 K C -0.198 176.403 176.600 0.002 0.000 1.010 654 K CA -0.238 56.063 56.287 0.024 0.000 0.940 654 K CB 0.444 32.955 32.500 0.019 0.000 0.983 654 K HN 0.841 nan 8.250 nan 0.000 0.475 655 N N 0.704 119.394 118.700 -0.017 0.000 2.756 655 N HA -0.105 4.634 4.740 -0.001 0.000 0.248 655 N C -2.623 172.843 175.510 -0.073 0.000 1.062 655 N CA 0.087 53.109 53.050 -0.047 0.000 0.696 655 N CB -0.716 37.745 38.487 -0.042 0.000 0.946 655 N HN 0.388 nan 8.380 nan 0.000 0.548 656 P HA 0.275 nan 4.420 nan 0.000 0.274 656 P C -0.207 176.940 177.300 -0.255 0.000 1.237 656 P CA -0.072 62.941 63.100 -0.145 0.000 0.793 656 P CB 0.968 32.558 31.700 -0.184 0.000 0.977 657 T N -2.543 111.871 114.554 -0.232 0.000 2.926 657 T HA 0.501 4.851 4.350 -0.001 0.000 0.289 657 T C 0.325 174.872 174.700 -0.254 0.000 1.054 657 T CA -0.757 61.207 62.100 -0.227 0.000 1.015 657 T CB 0.596 69.399 68.868 -0.107 0.000 1.167 657 T HN 0.481 nan 8.240 nan 0.000 0.526 658 S N 0.456 116.053 115.700 -0.171 0.000 2.576 658 S HA 0.425 4.895 4.470 -0.001 0.000 0.272 658 S C -0.194 174.522 174.600 0.193 0.000 1.352 658 S CA -0.796 57.395 58.200 -0.016 0.000 1.021 658 S CB -0.320 62.885 63.200 0.008 0.000 0.887 658 S HN 0.686 nan 8.310 nan 0.000 0.542 659 L N 1.946 123.375 121.223 0.344 0.000 2.489 659 L HA 0.371 4.710 4.340 -0.001 0.000 0.257 659 L C -2.391 174.591 176.870 0.187 0.000 1.215 659 L CA -1.604 53.409 54.840 0.289 0.000 0.915 659 L CB 1.611 43.919 42.059 0.415 0.000 1.146 659 L HN 0.583 nan 8.230 nan 0.000 0.494 660 P HA 0.165 nan 4.420 nan 0.000 0.272 660 P C -0.073 177.230 177.300 0.006 0.000 1.223 660 P CA -0.133 63.007 63.100 0.067 0.000 0.784 660 P CB 1.647 33.374 31.700 0.046 0.000 0.923 661 L N 0.964 122.199 121.223 0.021 0.000 3.347 661 L HA 0.276 4.615 4.340 -0.001 0.000 0.306 661 L C 1.406 178.344 176.870 0.113 0.000 1.301 661 L CA -0.121 54.709 54.840 -0.017 0.000 0.985 661 L CB 0.068 42.095 42.059 -0.054 0.000 1.400 661 L HN 0.726 nan 8.230 nan 0.000 0.601 662 G N 1.130 109.979 108.800 0.080 0.000 2.622 662 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.307 662 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.307 662 G C 0.549 175.512 174.900 0.105 0.000 1.226 662 G CA 0.773 45.942 45.100 0.116 0.000 0.997 662 G HN 0.482 nan 8.290 nan 0.000 0.551 663 Q N -0.456 119.392 119.800 0.079 0.000 2.482 663 Q HA 0.197 4.537 4.340 -0.001 0.000 0.209 663 Q C 0.754 176.598 176.000 -0.260 0.000 0.961 663 Q CA 0.169 55.912 55.803 -0.099 0.000 0.945 663 Q CB 0.270 28.868 28.738 -0.233 0.000 1.012 663 Q HN 0.499 nan 8.270 nan 0.000 0.515 664 Y N 3.810 123.930 120.300 -0.300 0.000 2.729 664 Y HA -0.039 4.510 4.550 -0.001 0.000 0.331 664 Y C -1.475 174.281 175.900 -0.240 0.000 1.208 664 Y CA -1.653 56.243 58.100 -0.339 0.000 1.521 664 Y CB 0.830 39.242 38.460 -0.081 0.000 1.233 664 Y HN 0.050 nan 8.280 nan 0.000 0.539 665 P HA -0.069 nan 4.420 nan 0.000 0.237 665 P C -0.654 176.476 177.300 -0.283 0.000 1.178 665 P CA 1.029 63.852 63.100 -0.462 0.000 0.766 665 P CB 0.491 31.805 31.700 -0.643 0.000 0.876 666 E N 0.895 120.953 120.200 -0.236 0.000 2.176 666 E HA 0.225 4.574 4.350 -0.001 0.000 0.267 666 E C -0.544 176.169 176.600 0.188 0.000 0.893 666 E CA -0.582 55.831 56.400 0.021 0.000 0.761 666 E CB 1.369 31.124 29.700 0.090 0.000 1.133 666 E HN 0.014 nan 8.360 nan 0.000 0.409 667 D N 1.311 121.787 120.400 0.127 0.000 2.350 667 D HA 0.094 4.734 4.640 -0.001 0.000 0.249 667 D C 0.158 176.532 176.300 0.122 0.000 1.119 667 D CA -0.271 53.813 54.000 0.139 0.000 0.886 667 D CB 1.172 42.040 40.800 0.113 0.000 1.195 667 D HN 0.032 nan 8.370 nan 0.000 0.437 668 V N 2.798 122.773 119.914 0.102 0.000 2.673 668 V HA -0.045 4.075 4.120 -0.001 0.000 0.303 668 V C 0.701 176.652 176.094 -0.237 0.000 1.046 668 V CA 0.273 62.533 62.300 -0.067 0.000 1.126 668 V CB 0.429 32.183 31.823 -0.116 0.000 0.934 668 V HN 0.361 nan 8.190 nan 0.000 0.487 669 K N 3.591 123.791 120.400 -0.333 0.000 2.118 669 K HA 0.719 5.038 4.320 -0.001 0.000 0.254 669 K C -0.981 175.255 176.600 -0.606 0.000 0.961 669 K CA -0.132 55.993 56.287 -0.270 0.000 0.876 669 K CB 1.202 33.650 32.500 -0.087 0.000 1.077 669 K HN 0.418 nan 8.250 nan 0.000 0.440 670 F N -0.396 119.569 119.950 0.026 0.000 2.577 670 F HA 0.768 5.295 4.527 -0.001 0.000 0.318 670 F C 0.587 176.395 175.800 0.013 0.000 1.065 670 F CA -0.619 57.388 58.000 0.013 0.000 0.929 670 F CB 2.685 41.692 39.000 0.012 0.000 1.237 670 F HN 0.528 nan 8.300 nan 0.000 0.468 671 G N 0.461 109.367 108.800 0.176 0.000 2.623 671 G HA2 0.405 4.364 3.960 -0.001 0.000 0.290 671 G HA3 0.405 4.364 3.960 -0.001 0.000 0.290 671 G C -2.099 172.856 174.900 0.092 0.000 1.437 671 G CA -0.832 44.333 45.100 0.110 0.000 0.798 671 G HN 0.366 nan 8.290 nan 0.000 0.488 672 D N 0.844 121.285 120.400 0.069 0.000 2.362 672 D HA 0.367 5.006 4.640 -0.001 0.000 0.242 672 D C -1.971 174.361 176.300 0.053 0.000 1.132 672 D CA -0.617 53.417 54.000 0.056 0.000 0.907 672 D CB 1.021 41.848 40.800 0.045 0.000 1.195 672 D HN -0.013 nan 8.370 nan 0.000 0.429 673 P HA 0.038 nan 4.420 nan 0.000 0.263 673 P C -0.429 176.902 177.300 0.051 0.000 1.175 673 P CA 0.481 63.614 63.100 0.054 0.000 0.761 673 P CB 0.372 32.106 31.700 0.057 0.000 0.794 674 R N 0.419 120.952 120.500 0.055 0.000 2.690 674 R HA 0.400 4.740 4.340 -0.001 0.000 0.269 674 R C -1.155 175.187 176.300 0.070 0.000 1.037 674 R CA -1.013 55.120 56.100 0.054 0.000 0.877 674 R CB 1.092 31.420 30.300 0.046 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.830 122.072 120.200 0.071 0.000 2.413 675 E HA 0.214 4.563 4.350 -0.001 0.000 0.263 675 E C 0.017 176.678 176.600 0.102 0.000 1.015 675 E CA 0.114 56.571 56.400 0.095 0.000 0.916 675 E CB 0.722 30.463 29.700 0.068 0.000 0.947 675 E HN 0.449 nan 8.360 nan 0.000 0.440 676 I N -1.996 118.669 120.570 0.158 0.000 3.074 676 I HA 0.557 4.727 4.170 -0.001 0.000 0.310 676 I C -0.672 175.592 176.117 0.245 0.000 1.153 676 I CA -0.788 60.604 61.300 0.155 0.000 0.993 676 I CB 2.476 40.538 38.000 0.104 0.000 1.237 676 I HN 0.133 nan 8.210 nan 0.000 0.443 677 S N 3.344 119.161 115.700 0.194 0.000 2.548 677 S HA 0.832 5.301 4.470 -0.001 0.000 0.286 677 S C -0.838 173.884 174.600 0.204 0.000 1.098 677 S CA -0.651 57.682 58.200 0.222 0.000 0.930 677 S CB 1.766 65.050 63.200 0.140 0.000 1.070 677 S HN 0.545 nan 8.310 nan 0.000 0.480 678 L N 1.857 123.227 121.223 0.245 0.000 2.409 678 L HA 0.681 5.020 4.340 -0.001 0.000 0.262 678 L C -0.503 176.462 176.870 0.158 0.000 0.992 678 L CA -0.617 54.337 54.840 0.190 0.000 0.817 678 L CB 2.307 44.495 42.059 0.215 0.000 1.350 678 L HN 0.524 nan 8.230 nan 0.000 0.411 679 R N 1.748 122.317 120.500 0.115 0.000 2.533 679 R HA 0.659 4.998 4.340 -0.001 0.000 0.288 679 R C -2.018 174.329 176.300 0.078 0.000 1.039 679 R CA -0.487 55.668 56.100 0.091 0.000 0.909 679 R CB 2.280 32.625 30.300 0.074 0.000 1.195 679 R HN 0.394 nan 8.270 nan 0.000 0.438 680 V N 4.517 124.475 119.914 0.073 0.000 2.435 680 V HA 0.560 4.680 4.120 -0.001 0.000 0.290 680 V C 1.096 177.222 176.094 0.052 0.000 1.030 680 V CA 0.607 62.946 62.300 0.064 0.000 0.881 680 V CB 1.158 33.020 31.823 0.066 0.000 0.983 680 V HN 1.111 nan 8.190 nan 0.000 0.445 681 G N 5.246 114.074 108.800 0.048 0.000 2.594 681 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.297 681 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.297 681 G C 0.364 175.285 174.900 0.035 0.000 1.273 681 G CA 0.738 45.862 45.100 0.040 0.000 0.974 681 G HN 1.264 nan 8.290 nan 0.000 0.552 682 N N 1.452 120.168 118.700 0.027 0.000 2.295 682 N HA 0.445 5.185 4.740 -0.001 0.000 0.221 682 N C 0.914 176.433 175.510 0.016 0.000 1.129 682 N CA 1.068 54.130 53.050 0.020 0.000 0.836 682 N CB 0.197 38.693 38.487 0.015 0.000 1.040 682 N HN 0.929 nan 8.380 nan 0.000 0.494 683 G N 0.599 109.412 108.800 0.022 0.000 2.494 683 G HA2 0.373 4.333 3.960 -0.001 0.000 0.270 683 G HA3 0.373 4.333 3.960 -0.001 0.000 0.270 683 G C -2.426 172.483 174.900 0.015 0.000 1.423 683 G CA -1.177 43.935 45.100 0.019 0.000 1.055 683 G HN 0.162 nan 8.290 nan 0.000 0.536 684 P HA 0.230 nan 4.420 nan 0.000 0.274 684 P C -0.547 176.768 177.300 0.024 0.000 1.237 684 P CA -0.002 63.099 63.100 0.002 0.000 0.793 684 P CB 0.891 32.589 31.700 -0.004 0.000 0.977 685 T N 2.398 116.961 114.554 0.014 0.000 2.749 685 T HA 0.462 4.811 4.350 -0.001 0.000 0.287 685 T C -0.028 174.702 174.700 0.050 0.000 0.970 685 T CA -0.384 61.749 62.100 0.056 0.000 0.980 685 T CB 0.090 69.000 68.868 0.070 0.000 0.924 685 T HN 0.165 nan 8.240 nan 0.000 0.456 686 L N 2.712 123.976 121.223 0.068 0.000 2.322 686 L HA 0.779 5.118 4.340 -0.001 0.000 0.281 686 L C 0.220 177.041 176.870 -0.081 0.000 1.014 686 L CA -1.164 53.641 54.840 -0.060 0.000 0.815 686 L CB 1.505 43.508 42.059 -0.094 0.000 1.247 686 L HN 0.636 nan 8.230 nan 0.000 0.421 687 A N 3.197 125.891 122.820 -0.210 0.000 2.324 687 A HA 0.866 5.186 4.320 -0.001 0.000 0.330 687 A C -1.186 176.193 177.584 -0.343 0.000 1.165 687 A CA -0.305 51.664 52.037 -0.113 0.000 0.813 687 A CB 0.803 19.782 19.000 -0.034 0.000 1.197 687 A HN 0.507 nan 8.150 nan 0.000 0.484 688 F N 0.840 120.839 119.950 0.081 0.000 2.532 688 F HA 0.511 5.037 4.527 -0.001 0.000 0.321 688 F C 1.095 176.948 175.800 0.087 0.000 1.089 688 F CA -0.307 57.757 58.000 0.106 0.000 0.926 688 F CB 2.151 41.215 39.000 0.107 0.000 1.168 688 F HN 0.685 nan 8.300 nan 0.000 0.459 689 S N 0.215 116.080 115.700 0.276 0.000 2.596 689 S HA 0.057 4.526 4.470 -0.001 0.000 0.260 689 S C 1.095 175.804 174.600 0.181 0.000 1.336 689 S CA 0.011 58.322 58.200 0.184 0.000 0.993 689 S CB 0.637 63.947 63.200 0.185 0.000 0.923 689 S HN 0.867 nan 8.310 nan 0.000 0.567 690 E N -0.046 120.228 120.200 0.123 0.000 2.409 690 E HA -0.203 4.146 4.350 -0.001 0.000 0.198 690 E C 1.292 177.957 176.600 0.109 0.000 1.024 690 E CA 1.017 57.479 56.400 0.103 0.000 0.861 690 E CB -0.395 29.350 29.700 0.075 0.000 0.788 690 E HN 0.776 nan 8.360 nan 0.000 0.521 691 Q N 0.013 119.892 119.800 0.132 0.000 2.320 691 Q HA 0.213 4.552 4.340 -0.001 0.000 0.201 691 Q C 0.851 176.944 176.000 0.154 0.000 0.910 691 Q CA 0.489 56.369 55.803 0.129 0.000 0.946 691 Q CB 0.934 29.749 28.738 0.129 0.000 1.062 691 Q HN 0.477 nan 8.270 nan 0.000 0.503 692 G N 0.388 109.301 108.800 0.188 0.000 2.136 692 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.242 692 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.242 692 G C -0.335 174.792 174.900 0.379 0.000 0.989 692 G CA -0.189 45.028 45.100 0.196 0.000 0.682 692 G HN 0.259 nan 8.290 nan 0.000 0.522 693 L N -0.109 121.376 121.223 0.437 0.000 2.329 693 L HA 0.672 5.012 4.340 -0.001 0.000 0.279 693 L C 0.777 177.943 176.870 0.494 0.000 1.014 693 L CA -1.360 53.777 54.840 0.496 0.000 0.814 693 L CB 1.637 43.886 42.059 0.317 0.000 1.257 693 L HN 0.142 nan 8.230 nan 0.000 0.424 694 L N 3.551 125.043 121.223 0.448 0.000 2.559 694 L HA -0.073 4.266 4.340 -0.001 0.000 0.282 694 L C 1.077 178.017 176.870 0.116 0.000 1.232 694 L CA 0.976 55.828 54.840 0.019 0.000 0.885 694 L CB 0.145 42.252 42.059 0.081 0.000 1.131 694 L HN 0.811 nan 8.230 nan 0.000 0.498 695 K N 1.510 121.885 120.400 -0.041 0.000 2.474 695 K HA 0.319 4.638 4.320 -0.001 0.000 0.204 695 K C -0.039 176.510 176.600 -0.086 0.000 1.220 695 K CA 0.319 56.604 56.287 -0.005 0.000 0.966 695 K CB 0.422 32.896 32.500 -0.043 0.000 1.049 695 K HN 0.605 nan 8.250 nan 0.000 0.554 696 S N 0.353 115.978 115.700 -0.126 0.000 2.565 696 S HA 0.589 5.059 4.470 -0.001 0.000 0.269 696 S C -1.151 173.395 174.600 -0.090 0.000 1.153 696 S CA -1.014 57.135 58.200 -0.086 0.000 0.835 696 S CB 1.300 64.493 63.200 -0.013 0.000 1.122 696 S HN 0.179 nan 8.310 nan 0.000 0.462 697 I N 1.408 121.939 120.570 -0.066 0.000 2.498 697 I HA 0.481 4.650 4.170 -0.001 0.000 0.290 697 I C -0.570 175.501 176.117 -0.076 0.000 1.032 697 I CA -0.422 60.839 61.300 -0.066 0.000 1.073 697 I CB 2.181 40.133 38.000 -0.080 0.000 1.251 697 I HN 0.722 nan 8.210 nan 0.000 0.426 698 Q N 5.814 125.552 119.800 -0.103 0.000 2.357 698 Q HA 0.418 4.758 4.340 -0.001 0.000 0.266 698 Q C 0.019 175.941 176.000 -0.130 0.000 1.021 698 Q CA -0.511 55.164 55.803 -0.215 0.000 0.784 698 Q CB 1.729 30.179 28.738 -0.479 0.000 1.243 698 Q HN 0.771 nan 8.270 nan 0.000 0.465 699 L N 1.913 123.071 121.223 -0.109 0.000 2.056 699 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 699 L C 1.132 177.966 176.870 -0.061 0.000 1.078 699 L CA 1.254 56.051 54.840 -0.071 0.000 0.749 699 L CB -0.282 41.739 42.059 -0.064 0.000 0.901 699 L HN 0.654 nan 8.230 nan 0.000 0.433 700 T N -6.461 108.047 114.554 -0.076 0.000 2.883 700 T HA 0.212 4.561 4.350 -0.001 0.000 0.296 700 T C 0.484 175.145 174.700 -0.066 0.000 1.117 700 T CA -0.851 61.216 62.100 -0.056 0.000 1.006 700 T CB 1.946 70.788 68.868 -0.044 0.000 1.191 700 T HN -0.130 nan 8.240 nan 0.000 0.508 701 Q N 1.025 120.802 119.800 -0.038 0.000 2.118 701 Q HA -0.214 4.126 4.340 -0.001 0.000 0.211 701 Q C 1.825 177.804 176.000 -0.035 0.000 0.998 701 Q CA 2.706 58.493 55.803 -0.026 0.000 0.872 701 Q CB -0.349 28.385 28.738 -0.007 0.000 0.925 701 Q HN 0.941 nan 8.270 nan 0.000 0.414 702 D N -0.365 120.014 120.400 -0.035 0.000 2.249 702 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 702 D C 0.870 177.140 176.300 -0.050 0.000 0.962 702 D CA 0.550 54.533 54.000 -0.029 0.000 0.860 702 D CB -0.183 40.606 40.800 -0.019 0.000 0.955 702 D HN 0.087 nan 8.370 nan 0.000 0.505 703 S N 1.073 116.726 115.700 -0.078 0.000 2.587 703 S HA 0.286 4.756 4.470 -0.001 0.000 0.260 703 S C -2.506 172.009 174.600 -0.141 0.000 1.353 703 S CA -1.030 57.114 58.200 -0.092 0.000 0.995 703 S CB 0.569 63.714 63.200 -0.092 0.000 0.912 703 S HN -0.075 nan 8.310 nan 0.000 0.568 704 P HA 0.200 nan 4.420 nan 0.000 0.274 704 P C -0.611 176.586 177.300 -0.172 0.000 1.231 704 P CA -0.258 62.792 63.100 -0.083 0.000 0.790 704 P CB 0.165 31.850 31.700 -0.025 0.000 0.951 705 H N 0.697 119.753 119.070 -0.023 0.000 3.067 705 H HA 0.144 4.699 4.556 -0.001 0.000 0.265 705 H C -0.167 175.132 175.328 -0.049 0.000 1.234 705 H CA -0.292 55.734 56.048 -0.036 0.000 1.452 705 H CB -0.147 29.596 29.762 -0.032 0.000 1.527 705 H HN 0.113 nan 8.280 nan 0.000 0.486 706 V N 6.795 126.706 119.914 -0.006 0.000 2.470 706 V HA 0.063 4.183 4.120 -0.001 0.000 0.276 706 V C -1.883 174.164 176.094 -0.078 0.000 1.040 706 V CA -1.630 60.646 62.300 -0.041 0.000 1.008 706 V CB 0.764 32.550 31.823 -0.062 0.000 0.990 706 V HN 0.543 nan 8.190 nan 0.000 0.477 707 P HA 0.158 nan 4.420 nan 0.000 0.266 707 P C -0.760 176.407 177.300 -0.222 0.000 1.215 707 P CA 0.256 63.231 63.100 -0.209 0.000 0.763 707 P CB 0.439 31.902 31.700 -0.396 0.000 0.806 708 V N 4.274 124.084 119.914 -0.174 0.000 2.498 708 V HA 0.207 4.327 4.120 -0.001 0.000 0.283 708 V C -0.702 175.298 176.094 -0.158 0.000 1.015 708 V CA -0.451 61.730 62.300 -0.199 0.000 0.867 708 V CB 1.043 32.735 31.823 -0.218 0.000 1.025 708 V HN 0.539 nan 8.190 nan 0.000 0.441 709 H N 4.346 123.258 119.070 -0.264 0.000 2.481 709 H HA 0.686 5.241 4.556 -0.001 0.000 0.333 709 H C -1.271 173.932 175.328 -0.209 0.000 1.066 709 H CA -1.032 54.909 56.048 -0.179 0.000 1.209 709 H CB 1.161 30.857 29.762 -0.109 0.000 1.445 709 H HN 0.381 nan 8.280 nan 0.000 0.488 710 F N 3.825 123.524 119.950 -0.420 0.000 2.396 710 F HA 0.391 4.918 4.527 -0.001 0.000 0.343 710 F C 0.362 175.686 175.800 -0.793 0.000 1.104 710 F CA -0.144 57.551 58.000 -0.509 0.000 1.161 710 F CB 0.980 39.801 39.000 -0.297 0.000 1.146 710 F HN 0.462 nan 8.300 nan 0.000 0.522 711 K N 3.177 123.331 120.400 -0.410 0.000 2.523 711 K HA 0.507 4.827 4.320 -0.001 0.000 0.257 711 K C -1.971 174.374 176.600 -0.425 0.000 0.932 711 K CA -0.571 55.511 56.287 -0.342 0.000 0.812 711 K CB 1.336 33.687 32.500 -0.248 0.000 1.326 711 K HN 0.385 nan 8.250 nan 0.000 0.433 712 F N 3.928 123.802 119.950 -0.127 0.000 2.436 712 F HA 0.488 5.015 4.527 -0.001 0.000 0.340 712 F C -0.328 175.431 175.800 -0.069 0.000 1.113 712 F CA -0.564 57.377 58.000 -0.098 0.000 1.022 712 F CB 1.139 40.068 39.000 -0.118 0.000 1.128 712 F HN 0.243 nan 8.300 nan 0.000 0.466 713 L N 2.651 123.917 121.223 0.073 0.000 2.277 713 L HA 0.645 4.985 4.340 -0.001 0.000 0.254 713 L C -1.111 175.753 176.870 -0.009 0.000 1.044 713 L CA -1.032 53.803 54.840 -0.010 0.000 0.842 713 L CB 2.224 44.215 42.059 -0.113 0.000 1.422 713 L HN 0.496 nan 8.230 nan 0.000 0.422 714 K N -0.487 119.867 120.400 -0.076 0.000 2.427 714 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 714 K C -1.808 174.725 176.600 -0.113 0.000 0.931 714 K CA -0.801 55.471 56.287 -0.024 0.000 0.793 714 K CB 1.714 34.233 32.500 0.031 0.000 1.211 714 K HN 0.247 nan 8.250 nan 0.000 0.426 715 Y N 0.601 120.964 120.300 0.104 0.000 2.419 715 Y HA 0.535 5.085 4.550 -0.001 0.000 0.328 715 Y C 1.004 176.963 175.900 0.098 0.000 1.162 715 Y CA 0.047 58.220 58.100 0.122 0.000 1.174 715 Y CB 2.157 40.757 38.460 0.234 0.000 1.228 715 Y HN 0.921 nan 8.280 nan 0.000 0.473 716 G N 0.430 109.378 108.800 0.247 0.000 2.971 716 G HA2 0.639 4.599 3.960 -0.001 0.000 0.235 716 G HA3 0.639 4.599 3.960 -0.001 0.000 0.235 716 G C -1.487 173.491 174.900 0.130 0.000 1.351 716 G CA -0.747 44.442 45.100 0.148 0.000 1.039 716 G HN 0.437 nan 8.290 nan 0.000 0.563 717 V N -0.160 119.798 119.914 0.073 0.000 2.864 717 V HA 0.468 4.588 4.120 -0.001 0.000 0.314 717 V C -0.039 176.061 176.094 0.011 0.000 1.073 717 V CA -0.878 61.448 62.300 0.043 0.000 0.956 717 V CB 1.958 33.804 31.823 0.039 0.000 1.023 717 V HN 0.684 nan 8.190 nan 0.000 0.435 718 R N 1.314 121.811 120.500 -0.005 0.000 2.543 718 R HA 0.193 4.533 4.340 -0.001 0.000 0.277 718 R C 1.138 177.399 176.300 -0.064 0.000 1.074 718 R CA 0.447 56.536 56.100 -0.019 0.000 1.076 718 R CB 0.576 30.874 30.300 -0.004 0.000 0.993 718 R HN 0.909 nan 8.270 nan 0.000 0.459 719 S N 1.337 116.954 115.700 -0.140 0.000 2.524 719 S HA 0.045 4.515 4.470 -0.001 0.000 0.216 719 S C 0.360 174.628 174.600 -0.552 0.000 0.987 719 S CA 0.019 58.028 58.200 -0.319 0.000 0.909 719 S CB 0.131 63.101 63.200 -0.384 0.000 0.781 719 S HN 0.557 nan 8.310 nan 0.000 0.521 720 H N 0.228 119.298 119.070 0.001 0.000 2.768 720 H HA 0.596 5.152 4.556 -0.001 0.000 0.371 720 H C 0.935 176.260 175.328 -0.005 0.000 1.151 720 H CA -0.083 55.964 56.048 -0.002 0.000 1.165 720 H CB 1.329 31.090 29.762 -0.002 0.000 1.722 720 H HN 0.385 nan 8.280 nan 0.000 0.543 721 G N 2.307 111.175 108.800 0.113 0.000 2.512 721 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.240 721 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.240 721 G C -0.811 174.102 174.900 0.023 0.000 1.246 721 G CA -0.315 44.817 45.100 0.054 0.000 0.919 721 G HN 0.598 nan 8.290 nan 0.000 0.577 722 D N 1.308 121.713 120.400 0.009 0.000 2.302 722 D HA 0.604 5.243 4.640 -0.001 0.000 0.248 722 D C 0.766 177.060 176.300 -0.010 0.000 1.094 722 D CA -0.004 53.992 54.000 -0.007 0.000 0.897 722 D CB 1.046 41.837 40.800 -0.015 0.000 1.200 722 D HN 0.358 nan 8.370 nan 0.000 0.429 723 R N 0.537 121.030 120.500 -0.012 0.000 2.407 723 R HA 0.347 4.687 4.340 -0.001 0.000 0.303 723 R C -0.067 176.232 176.300 -0.002 0.000 0.981 723 R CA -0.611 55.486 56.100 -0.005 0.000 0.905 723 R CB 0.841 31.140 30.300 -0.001 0.000 1.099 723 R HN 0.218 nan 8.270 nan 0.000 0.459 724 S N 0.393 116.103 115.700 0.016 0.000 2.563 724 S HA 0.475 4.945 4.470 -0.001 0.000 0.284 724 S C 0.535 175.158 174.600 0.039 0.000 1.331 724 S CA 0.462 58.688 58.200 0.042 0.000 1.047 724 S CB 0.772 64.029 63.200 0.096 0.000 0.859 724 S HN 0.734 nan 8.310 nan 0.000 0.514 725 G N -0.084 108.741 108.800 0.041 0.000 2.846 725 G HA2 0.589 4.548 3.960 -0.001 0.000 0.299 725 G HA3 0.589 4.548 3.960 -0.001 0.000 0.299 725 G C 0.562 175.490 174.900 0.047 0.000 1.242 725 G CA -0.127 45.004 45.100 0.051 0.000 0.800 725 G HN 0.709 nan 8.290 nan 0.000 0.538 726 A N -1.252 121.589 122.820 0.034 0.000 1.978 726 A HA 0.052 4.372 4.320 -0.001 0.000 0.220 726 A C 1.923 179.434 177.584 -0.121 0.000 1.170 726 A CA 2.107 54.106 52.037 -0.063 0.000 0.636 726 A CB -0.634 18.267 19.000 -0.166 0.000 0.810 726 A HN 0.593 nan 8.150 nan 0.000 0.448 727 Y N -0.857 119.386 120.300 -0.095 0.000 2.266 727 Y HA 0.342 4.892 4.550 -0.001 0.000 0.294 727 Y C 0.903 176.699 175.900 -0.173 0.000 1.127 727 Y CA 0.036 58.008 58.100 -0.214 0.000 1.140 727 Y CB -0.152 37.835 38.460 -0.787 0.000 1.071 727 Y HN 0.023 nan 8.280 nan 0.000 0.525 728 L N 0.530 121.716 121.223 -0.063 0.000 2.334 728 L HA 0.203 4.543 4.340 -0.001 0.000 0.277 728 L C -1.114 175.811 176.870 0.091 0.000 1.075 728 L CA -0.548 54.258 54.840 -0.057 0.000 0.804 728 L CB 0.888 42.862 42.059 -0.142 0.000 1.174 728 L HN 0.029 nan 8.230 nan 0.000 0.438 729 F N 4.829 124.727 119.950 -0.087 0.000 2.375 729 F HA 0.479 5.005 4.527 -0.001 0.000 0.361 729 F C -0.713 175.017 175.800 -0.117 0.000 1.117 729 F CA -1.134 56.777 58.000 -0.148 0.000 1.037 729 F CB 0.653 39.499 39.000 -0.258 0.000 1.192 729 F HN 0.209 nan 8.300 nan 0.000 0.452 730 L N 9.086 130.212 121.223 -0.162 0.000 2.556 730 L HA 0.330 4.670 4.340 -0.001 0.000 0.243 730 L C -2.346 174.357 176.870 -0.279 0.000 1.331 730 L CA -1.754 52.942 54.840 -0.239 0.000 0.927 730 L CB 1.004 43.014 42.059 -0.081 0.000 1.219 730 L HN 0.387 nan 8.230 nan 0.000 0.490 731 P HA 0.031 nan 4.420 nan 0.000 0.272 731 P C -0.476 176.758 177.300 -0.110 0.000 1.223 731 P CA -0.257 62.664 63.100 -0.297 0.000 0.784 731 P CB 0.557 31.957 31.700 -0.501 0.000 0.923 732 N N 1.121 119.826 118.700 0.009 0.000 3.250 732 N HA 0.284 5.023 4.740 -0.001 0.000 0.307 732 N C 0.635 176.171 175.510 0.043 0.000 1.355 732 N CA -0.197 52.865 53.050 0.020 0.000 1.192 732 N CB -0.777 37.729 38.487 0.031 0.000 1.478 732 N HN 0.736 nan 8.380 nan 0.000 0.543 733 G N 0.721 109.543 108.800 0.035 0.000 2.592 733 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.684 733 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.684 733 G C -3.087 171.891 174.900 0.130 0.000 1.291 733 G CA -1.143 43.989 45.100 0.055 0.000 0.891 733 G HN 0.345 nan 8.290 nan 0.000 0.544 734 P HA 0.443 nan 4.420 nan 0.000 0.268 734 P C 0.571 177.832 177.300 -0.064 0.000 1.208 734 P CA 0.682 63.844 63.100 0.104 0.000 0.777 734 P CB 0.378 32.106 31.700 0.046 0.000 0.875 735 A N 2.250 124.836 122.820 -0.391 0.000 2.466 735 A HA 0.352 4.671 4.320 -0.001 0.000 0.238 735 A C 0.194 177.627 177.584 -0.252 0.000 1.074 735 A CA 0.358 52.013 52.037 -0.637 0.000 0.774 735 A CB -0.291 18.079 19.000 -1.051 0.000 1.015 735 A HN 0.483 nan 8.150 nan 0.000 0.498 736 S N 2.529 118.121 115.700 -0.180 0.000 2.501 736 S HA 0.580 5.050 4.470 -0.001 0.000 0.301 736 S C -2.720 171.844 174.600 -0.060 0.000 1.096 736 S CA -1.054 57.097 58.200 -0.081 0.000 1.063 736 S CB 1.335 64.509 63.200 -0.042 0.000 1.042 736 S HN 0.569 nan 8.310 nan 0.000 0.494 737 P HA 0.089 nan 4.420 nan 0.000 0.265 737 P C -0.660 176.649 177.300 0.015 0.000 1.193 737 P CA -0.287 62.813 63.100 -0.000 0.000 0.765 737 P CB 0.279 31.990 31.700 0.018 0.000 0.823 738 V N 3.886 123.822 119.914 0.037 0.000 2.585 738 V HA -0.033 4.087 4.120 -0.001 0.000 0.296 738 V C 0.965 177.077 176.094 0.032 0.000 1.035 738 V CA 0.273 62.594 62.300 0.035 0.000 1.084 738 V CB -0.262 31.590 31.823 0.048 0.000 0.953 738 V HN 0.521 nan 8.190 nan 0.000 0.483 739 E N 4.392 124.604 120.200 0.021 0.000 2.217 739 E HA 0.157 4.506 4.350 -0.001 0.000 0.279 739 E C 0.460 177.072 176.600 0.020 0.000 1.068 739 E CA -0.176 56.238 56.400 0.023 0.000 0.882 739 E CB 0.790 30.501 29.700 0.020 0.000 1.039 739 E HN 0.553 nan 8.360 nan 0.000 0.418 740 L N 2.765 124.006 121.223 0.029 0.000 2.477 740 L HA 0.128 4.467 4.340 -0.001 0.000 0.220 740 L C 1.378 178.266 176.870 0.031 0.000 1.106 740 L CA 0.360 55.215 54.840 0.026 0.000 0.851 740 L CB -0.641 41.442 42.059 0.041 0.000 0.994 740 L HN 0.858 nan 8.230 nan 0.000 0.462 741 G N 0.959 109.780 108.800 0.035 0.000 2.566 741 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.280 741 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.280 741 G C -0.038 174.889 174.900 0.044 0.000 1.225 741 G CA -0.136 44.987 45.100 0.038 0.000 0.966 741 G HN 0.397 nan 8.290 nan 0.000 0.560 742 Q N 1.605 121.434 119.800 0.048 0.000 2.508 742 Q HA 0.403 4.742 4.340 -0.001 0.000 0.247 742 Q C -2.238 173.801 176.000 0.065 0.000 1.047 742 Q CA -1.470 54.365 55.803 0.053 0.000 0.783 742 Q CB 1.972 30.738 28.738 0.047 0.000 1.172 742 Q HN 0.546 nan 8.270 nan 0.000 0.515 743 P HA 0.144 nan 4.420 nan 0.000 0.277 743 P C -0.334 177.034 177.300 0.114 0.000 1.240 743 P CA -0.424 62.728 63.100 0.086 0.000 0.798 743 P CB 1.137 32.870 31.700 0.056 0.000 0.979 744 V N 2.244 122.263 119.914 0.175 0.000 2.488 744 V HA 0.126 4.245 4.120 -0.001 0.000 0.277 744 V C 0.492 176.745 176.094 0.264 0.000 1.046 744 V CA -0.227 62.200 62.300 0.213 0.000 0.986 744 V CB 1.146 33.131 31.823 0.271 0.000 0.989 744 V HN 0.256 nan 8.190 nan 0.000 0.475 745 V N 6.432 126.443 119.914 0.162 0.000 2.448 745 V HA 0.478 4.597 4.120 -0.001 0.000 0.295 745 V C -0.392 175.725 176.094 0.039 0.000 1.025 745 V CA -0.626 61.745 62.300 0.118 0.000 0.859 745 V CB 1.681 33.533 31.823 0.049 0.000 0.988 745 V HN 0.673 nan 8.190 nan 0.000 0.431 746 L N 6.617 127.856 121.223 0.027 0.000 2.305 746 L HA 0.732 5.072 4.340 -0.001 0.000 0.284 746 L C -0.634 176.123 176.870 -0.187 0.000 1.013 746 L CA -0.008 54.723 54.840 -0.182 0.000 0.819 746 L CB 1.790 43.640 42.059 -0.349 0.000 1.227 746 L HN 0.438 nan 8.230 nan 0.000 0.417 747 V N 4.081 123.874 119.914 -0.200 0.000 2.384 747 V HA 0.551 4.670 4.120 -0.001 0.000 0.287 747 V C 0.015 176.039 176.094 -0.117 0.000 1.020 747 V CA -0.399 61.806 62.300 -0.159 0.000 0.850 747 V CB 1.561 33.307 31.823 -0.128 0.000 0.987 747 V HN 0.845 nan 8.190 nan 0.000 0.436 748 T N 5.378 119.893 114.554 -0.065 0.000 2.779 748 T HA 0.443 4.793 4.350 -0.001 0.000 0.280 748 T C -0.405 174.323 174.700 0.047 0.000 0.987 748 T CA -0.563 61.554 62.100 0.028 0.000 0.966 748 T CB 1.147 70.070 68.868 0.091 0.000 0.933 748 T HN 0.645 nan 8.240 nan 0.000 0.442 749 K N 2.355 122.800 120.400 0.075 0.000 2.450 749 K HA 0.674 4.994 4.320 -0.001 0.000 0.257 749 K C -0.438 176.221 176.600 0.099 0.000 0.953 749 K CA -0.579 55.753 56.287 0.074 0.000 0.844 749 K CB 1.065 33.602 32.500 0.062 0.000 1.103 749 K HN 0.802 nan 8.250 nan 0.000 0.429 750 G N 2.261 111.116 108.800 0.093 0.000 2.680 750 G HA2 0.171 4.131 3.960 -0.001 0.000 0.290 750 G HA3 0.171 4.131 3.960 -0.001 0.000 0.290 750 G C -0.180 174.766 174.900 0.076 0.000 1.355 750 G CA -0.619 44.537 45.100 0.094 0.000 0.903 750 G HN 0.625 nan 8.290 nan 0.000 0.474 751 K N -0.265 120.176 120.400 0.069 0.000 2.097 751 K HA 0.128 4.447 4.320 -0.001 0.000 0.205 751 K C 1.888 178.524 176.600 0.060 0.000 1.050 751 K CA 1.331 57.654 56.287 0.060 0.000 0.938 751 K CB -0.202 32.330 32.500 0.054 0.000 0.718 751 K HN 0.413 nan 8.250 nan 0.000 0.442 752 L N -0.886 120.375 121.223 0.063 0.000 2.357 752 L HA 0.229 4.569 4.340 -0.001 0.000 0.211 752 L C 0.445 177.350 176.870 0.059 0.000 1.075 752 L CA 0.025 54.901 54.840 0.061 0.000 0.830 752 L CB 0.323 42.421 42.059 0.065 0.000 0.996 752 L HN 0.177 nan 8.230 nan 0.000 0.467 753 E N -0.200 120.040 120.200 0.066 0.000 2.311 753 E HA 0.378 4.727 4.350 -0.001 0.000 0.281 753 E C -1.513 175.132 176.600 0.075 0.000 0.905 753 E CA -0.189 56.251 56.400 0.066 0.000 0.778 753 E CB 2.108 31.846 29.700 0.063 0.000 1.240 753 E HN -0.120 nan 8.360 nan 0.000 0.410 754 S N 1.284 117.026 115.700 0.070 0.000 2.634 754 S HA 0.791 5.260 4.470 -0.001 0.000 0.296 754 S C -1.202 173.425 174.600 0.046 0.000 1.104 754 S CA -0.654 57.583 58.200 0.063 0.000 0.920 754 S CB 1.797 65.036 63.200 0.065 0.000 1.111 754 S HN 0.628 nan 8.310 nan 0.000 0.493 755 S N -0.139 115.565 115.700 0.007 0.000 2.565 755 S HA 0.740 5.209 4.470 -0.001 0.000 0.269 755 S C -1.787 172.726 174.600 -0.146 0.000 1.153 755 S CA -0.710 57.468 58.200 -0.037 0.000 0.835 755 S CB 1.040 64.239 63.200 -0.003 0.000 1.122 755 S HN 0.464 nan 8.310 nan 0.000 0.462 756 V N 1.938 121.704 119.914 -0.247 0.000 2.487 756 V HA 0.745 4.865 4.120 -0.001 0.000 0.298 756 V C -0.460 175.503 176.094 -0.219 0.000 1.028 756 V CA -0.409 61.674 62.300 -0.361 0.000 0.860 756 V CB 1.601 32.893 31.823 -0.885 0.000 0.991 756 V HN 0.982 nan 8.190 nan 0.000 0.427 757 S N 3.120 118.748 115.700 -0.120 0.000 2.526 757 S HA 0.794 5.264 4.470 -0.001 0.000 0.293 757 S C -0.863 173.682 174.600 -0.091 0.000 1.092 757 S CA -0.612 57.529 58.200 -0.100 0.000 0.980 757 S CB 2.145 65.391 63.200 0.077 0.000 1.048 757 S HN 0.673 nan 8.310 nan 0.000 0.483 758 V N 1.988 121.726 119.914 -0.292 0.000 2.760 758 V HA 0.824 4.944 4.120 -0.001 0.000 0.309 758 V C -0.094 175.644 176.094 -0.593 0.000 1.077 758 V CA -0.431 61.710 62.300 -0.265 0.000 0.910 758 V CB 1.850 33.650 31.823 -0.038 0.000 1.008 758 V HN 0.988 nan 8.190 nan 0.000 0.424 759 G N 6.862 115.341 108.800 -0.534 0.000 2.663 759 G HA2 0.534 4.494 3.960 -0.001 0.000 0.320 759 G HA3 0.534 4.494 3.960 -0.001 0.000 0.320 759 G C -0.552 174.243 174.900 -0.174 0.000 0.937 759 G CA -0.345 44.493 45.100 -0.437 0.000 1.332 759 G HN 0.704 nan 8.290 nan 0.000 0.461 760 L N 2.664 123.741 121.223 -0.243 0.000 2.416 760 L HA 0.386 4.725 4.340 -0.001 0.000 0.262 760 L C -1.995 174.770 176.870 -0.175 0.000 1.093 760 L CA -2.321 52.401 54.840 -0.197 0.000 0.801 760 L CB 1.729 43.594 42.059 -0.322 0.000 1.191 760 L HN 0.204 nan 8.230 nan 0.000 0.459 761 P HA 0.044 nan 4.420 nan 0.000 0.262 761 P C 0.068 177.274 177.300 -0.156 0.000 1.199 761 P CA 0.489 63.522 63.100 -0.112 0.000 0.763 761 P CB 0.810 32.468 31.700 -0.071 0.000 0.790 762 S N -0.176 115.439 115.700 -0.143 0.000 2.929 762 S HA -0.118 4.352 4.470 -0.001 0.000 0.271 762 S C 0.229 174.720 174.600 -0.181 0.000 1.295 762 S CA 1.240 59.359 58.200 -0.134 0.000 1.277 762 S CB -1.571 61.573 63.200 -0.093 0.000 1.557 762 S HN 0.399 nan 8.310 nan 0.000 0.666 763 V N 1.364 121.115 119.914 -0.272 0.000 2.655 763 V HA 0.445 4.564 4.120 -0.001 0.000 0.301 763 V C -0.195 175.678 176.094 -0.367 0.000 1.082 763 V CA -0.807 61.288 62.300 -0.341 0.000 0.899 763 V CB 2.098 33.552 31.823 -0.614 0.000 1.014 763 V HN 0.114 nan 8.190 nan 0.000 0.429 764 V N 4.162 123.871 119.914 -0.342 0.000 2.368 764 V HA 0.311 4.430 4.120 -0.001 0.000 0.266 764 V C -0.135 175.758 176.094 -0.335 0.000 1.045 764 V CA -0.306 61.695 62.300 -0.498 0.000 0.899 764 V CB 0.702 32.124 31.823 -0.667 0.000 1.006 764 V HN 0.937 nan 8.190 nan 0.000 0.470 765 H N 4.495 123.315 119.070 -0.416 0.000 2.476 765 H HA 0.587 5.143 4.556 -0.001 0.000 0.328 765 H C -0.436 174.780 175.328 -0.187 0.000 1.073 765 H CA -0.210 55.696 56.048 -0.237 0.000 1.229 765 H CB 1.191 30.842 29.762 -0.186 0.000 1.432 765 H HN 0.682 nan 8.280 nan 0.000 0.477 766 Q N 3.942 123.432 119.800 -0.516 0.000 2.323 766 Q HA 0.379 4.718 4.340 -0.001 0.000 0.271 766 Q C -1.300 174.491 176.000 -0.349 0.000 1.048 766 Q CA -0.929 54.659 55.803 -0.358 0.000 0.792 766 Q CB 1.662 30.297 28.738 -0.171 0.000 1.280 766 Q HN 0.763 nan 8.270 nan 0.000 0.441 767 T N 4.782 119.216 114.554 -0.200 0.000 2.772 767 T HA 0.535 4.884 4.350 -0.001 0.000 0.288 767 T C -0.356 174.373 174.700 0.049 0.000 0.994 767 T CA -0.307 61.797 62.100 0.007 0.000 0.951 767 T CB 0.289 69.326 68.868 0.281 0.000 0.933 767 T HN 0.445 nan 8.240 nan 0.000 0.447 768 I N 3.578 124.188 120.570 0.067 0.000 2.474 768 I HA 0.503 4.672 4.170 -0.001 0.000 0.294 768 I C -0.267 175.904 176.117 0.090 0.000 1.005 768 I CA -0.786 60.553 61.300 0.064 0.000 1.113 768 I CB 1.814 39.841 38.000 0.045 0.000 1.289 768 I HN 0.386 nan 8.210 nan 0.000 0.436 769 M N 5.717 125.371 119.600 0.088 0.000 2.253 769 M HA 0.472 4.952 4.480 -0.001 0.000 0.314 769 M C 0.210 176.552 176.300 0.069 0.000 1.019 769 M CA -0.291 55.064 55.300 0.091 0.000 0.932 769 M CB 2.165 34.834 32.600 0.115 0.000 1.606 769 M HN 0.469 nan 8.290 nan 0.000 0.430 770 R N 1.138 121.673 120.500 0.058 0.000 2.565 770 R HA 0.349 4.689 4.340 -0.001 0.000 0.347 770 R C 0.768 177.095 176.300 0.044 0.000 1.010 770 R CA 0.269 56.397 56.100 0.047 0.000 1.126 770 R CB 1.073 31.393 30.300 0.034 0.000 1.331 770 R HN 1.135 nan 8.270 nan 0.000 0.552 771 G N -0.464 108.365 108.800 0.047 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 0.255 175.174 174.900 0.032 0.000 0.997 771 G CA -0.358 44.766 45.100 0.041 0.000 0.652 771 G HN 0.528 nan 8.290 nan 0.000 0.500 772 G N -0.173 108.646 108.800 0.033 0.000 3.247 772 G HA2 0.793 4.752 3.960 -0.001 0.000 0.199 772 G HA3 0.793 4.752 3.960 -0.001 0.000 0.199 772 G C 0.409 175.327 174.900 0.029 0.000 1.172 772 G CA 0.482 45.597 45.100 0.024 0.000 0.844 772 G HN 1.556 nan 8.290 nan 0.000 0.619 773 A N 1.503 124.338 122.820 0.025 0.000 2.546 773 A HA 0.518 4.837 4.320 -0.001 0.000 0.243 773 A C -1.788 175.831 177.584 0.058 0.000 1.063 773 A CA -0.414 51.644 52.037 0.034 0.000 0.757 773 A CB -0.487 18.530 19.000 0.030 0.000 0.991 773 A HN 0.366 nan 8.150 nan 0.000 0.503 774 P HA 0.144 nan 4.420 nan 0.000 0.270 774 P C -0.441 176.928 177.300 0.115 0.000 1.223 774 P CA -0.138 63.026 63.100 0.106 0.000 0.785 774 P CB 0.604 32.389 31.700 0.142 0.000 0.923 775 E N 1.215 121.481 120.200 0.109 0.000 2.179 775 E HA 0.406 4.756 4.350 -0.001 0.000 0.275 775 E C -0.856 175.818 176.600 0.123 0.000 0.945 775 E CA -0.723 55.744 56.400 0.112 0.000 0.792 775 E CB 0.622 30.364 29.700 0.070 0.000 1.125 775 E HN 0.193 nan 8.360 nan 0.000 0.397 776 I N 4.029 124.704 120.570 0.176 0.000 2.404 776 I HA 0.420 4.589 4.170 -0.001 0.000 0.293 776 I C -0.018 176.213 176.117 0.191 0.000 0.992 776 I CA -0.613 60.770 61.300 0.138 0.000 1.149 776 I CB 1.294 39.386 38.000 0.153 0.000 1.315 776 I HN 0.582 nan 8.210 nan 0.000 0.446 777 R N 4.541 125.084 120.500 0.071 0.000 2.561 777 R HA 0.490 4.830 4.340 -0.001 0.000 0.297 777 R C -0.944 175.407 176.300 0.085 0.000 0.969 777 R CA -0.843 55.313 56.100 0.094 0.000 0.879 777 R CB 2.033 32.345 30.300 0.021 0.000 1.178 777 R HN 0.466 nan 8.270 nan 0.000 0.445 778 N N 2.591 121.401 118.700 0.183 0.000 2.407 778 N HA 0.202 4.942 4.740 -0.001 0.000 0.277 778 N C -1.297 174.229 175.510 0.027 0.000 0.995 778 N CA -0.697 52.441 53.050 0.146 0.000 0.903 778 N CB 1.878 40.561 38.487 0.327 0.000 1.218 778 N HN 0.315 nan 8.380 nan 0.000 0.487 779 L N 3.709 124.890 121.223 -0.071 0.000 2.282 779 L HA 0.372 4.711 4.340 -0.001 0.000 0.287 779 L C -0.996 175.807 176.870 -0.111 0.000 1.075 779 L CA -0.455 54.324 54.840 -0.102 0.000 0.839 779 L CB 0.453 42.441 42.059 -0.118 0.000 1.219 779 L HN 0.216 nan 8.230 nan 0.000 0.434 780 V N 4.548 124.399 119.914 -0.104 0.000 2.350 780 V HA 0.388 4.507 4.120 -0.001 0.000 0.276 780 V C -0.465 175.592 176.094 -0.060 0.000 1.028 780 V CA -0.513 61.743 62.300 -0.073 0.000 0.860 780 V CB 1.280 33.090 31.823 -0.021 0.000 0.990 780 V HN 0.675 nan 8.190 nan 0.000 0.453 781 D N 4.020 124.385 120.400 -0.059 0.000 2.375 781 D HA 0.261 4.900 4.640 -0.001 0.000 0.259 781 D C 0.506 176.785 176.300 -0.035 0.000 1.235 781 D CA -0.412 53.563 54.000 -0.041 0.000 0.924 781 D CB 1.408 42.179 40.800 -0.048 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.354 122.919 120.570 -0.008 0.000 3.176 782 I HA 0.074 4.243 4.170 -0.001 0.000 0.275 782 I C 1.363 177.476 176.117 -0.007 0.000 1.298 782 I CA 1.121 62.422 61.300 0.001 0.000 1.445 782 I CB -0.218 37.802 38.000 0.033 0.000 1.075 782 I HN 0.612 nan 8.210 nan 0.000 0.482 783 G N 0.888 109.680 108.800 -0.013 0.000 2.583 783 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.292 783 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.292 783 G C 0.566 175.463 174.900 -0.005 0.000 1.203 783 G CA 0.478 45.566 45.100 -0.019 0.000 0.987 783 G HN 0.707 nan 8.290 nan 0.000 0.554 784 S N -0.051 115.644 115.700 -0.008 0.000 2.574 784 S HA 0.548 5.018 4.470 -0.001 0.000 0.242 784 S C 0.744 175.348 174.600 0.006 0.000 0.982 784 S CA 0.032 58.234 58.200 0.002 0.000 0.977 784 S CB 0.055 63.256 63.200 0.002 0.000 0.814 784 S HN 0.696 nan 8.310 nan 0.000 0.464 785 L N 3.279 124.507 121.223 0.007 0.000 2.505 785 L HA 0.246 4.585 4.340 -0.001 0.000 0.279 785 L C -0.275 176.610 176.870 0.026 0.000 1.211 785 L CA -0.230 54.618 54.840 0.014 0.000 1.059 785 L CB -0.365 41.702 42.059 0.014 0.000 1.340 785 L HN 0.244 nan 8.230 nan 0.000 0.447 786 D N 3.449 123.864 120.400 0.024 0.000 2.362 786 D HA -0.001 4.639 4.640 -0.001 0.000 0.242 786 D C 0.603 176.925 176.300 0.037 0.000 1.132 786 D CA -0.027 53.991 54.000 0.030 0.000 0.907 786 D CB 0.541 41.355 40.800 0.023 0.000 1.195 786 D HN 0.366 nan 8.370 nan 0.000 0.429 787 N N 0.394 119.121 118.700 0.044 0.000 2.725 787 N HA -0.157 4.583 4.740 -0.001 0.000 0.251 787 N C -0.911 174.642 175.510 0.071 0.000 1.031 787 N CA 0.858 53.940 53.050 0.053 0.000 0.720 787 N CB -1.172 37.338 38.487 0.039 0.000 0.930 787 N HN 0.350 nan 8.380 nan 0.000 0.543 788 T N 0.535 115.136 114.554 0.079 0.000 2.886 788 T HA 0.406 4.756 4.350 -0.001 0.000 0.292 788 T C -0.272 174.497 174.700 0.115 0.000 1.012 788 T CA -0.710 61.449 62.100 0.097 0.000 0.982 788 T CB 2.276 71.186 68.868 0.071 0.000 1.018 788 T HN 0.030 nan 8.240 nan 0.000 0.451 789 E N 2.602 122.901 120.200 0.165 0.000 2.199 789 E HA 0.455 4.805 4.350 -0.001 0.000 0.265 789 E C -0.723 175.999 176.600 0.202 0.000 0.882 789 E CA -0.652 55.845 56.400 0.161 0.000 0.759 789 E CB 2.260 32.034 29.700 0.124 0.000 1.148 789 E HN 0.492 nan 8.360 nan 0.000 0.412 790 I N 2.747 123.419 120.570 0.170 0.000 2.331 790 I HA 0.241 4.411 4.170 -0.001 0.000 0.292 790 I C -0.246 176.009 176.117 0.229 0.000 0.998 790 I CA -0.821 60.592 61.300 0.188 0.000 1.267 790 I CB 1.417 39.517 38.000 0.166 0.000 1.386 790 I HN 0.204 nan 8.210 nan 0.000 0.476 791 V N 8.045 128.093 119.914 0.224 0.000 2.628 791 V HA 0.496 4.615 4.120 -0.001 0.000 0.306 791 V C -0.486 175.636 176.094 0.046 0.000 1.045 791 V CA -0.725 61.690 62.300 0.192 0.000 0.905 791 V CB 2.020 34.014 31.823 0.285 0.000 0.997 791 V HN 0.756 nan 8.190 nan 0.000 0.436 792 M N 7.304 126.854 119.600 -0.083 0.000 2.129 792 M HA 0.569 5.049 4.480 -0.001 0.000 0.348 792 M C -0.554 175.594 176.300 -0.253 0.000 1.116 792 M CA -0.415 54.607 55.300 -0.464 0.000 1.022 792 M CB 0.581 32.864 32.600 -0.529 0.000 1.599 792 M HN 0.751 nan 8.290 nan 0.000 0.449 793 R N 4.689 125.029 120.500 -0.267 0.000 2.637 793 R HA 0.691 5.031 4.340 -0.001 0.000 0.291 793 R C -1.925 174.274 176.300 -0.168 0.000 0.963 793 R CA -0.627 55.380 56.100 -0.154 0.000 0.901 793 R CB 1.473 31.700 30.300 -0.121 0.000 1.160 793 R HN 0.811 nan 8.270 nan 0.000 0.457 794 L N 3.381 124.486 121.223 -0.196 0.000 2.296 794 L HA 0.417 4.756 4.340 -0.001 0.000 0.286 794 L C -0.509 176.243 176.870 -0.196 0.000 1.023 794 L CA -0.409 54.242 54.840 -0.316 0.000 0.812 794 L CB 1.903 43.725 42.059 -0.396 0.000 1.223 794 L HN 0.612 nan 8.230 nan 0.000 0.421 795 E N 2.155 122.256 120.200 -0.164 0.000 2.158 795 E HA 0.506 4.855 4.350 -0.001 0.000 0.271 795 E C -0.588 175.947 176.600 -0.110 0.000 0.911 795 E CA -0.498 55.858 56.400 -0.073 0.000 0.767 795 E CB 2.151 31.858 29.700 0.012 0.000 1.120 795 E HN 0.612 nan 8.360 nan 0.000 0.405 796 T N -0.918 113.582 114.554 -0.090 0.000 2.831 796 T HA 0.334 4.684 4.350 -0.001 0.000 0.287 796 T C -0.105 174.579 174.700 -0.025 0.000 1.070 796 T CA -0.852 61.156 62.100 -0.154 0.000 1.010 796 T CB 1.130 69.935 68.868 -0.107 0.000 1.264 796 T HN 0.426 nan 8.240 nan 0.000 0.532 797 H N 0.237 119.297 119.070 -0.017 0.000 2.490 797 H HA 0.466 5.021 4.556 -0.001 0.000 0.285 797 H C -0.079 175.247 175.328 -0.002 0.000 1.127 797 H CA -0.918 55.125 56.048 -0.008 0.000 0.993 797 H CB -0.765 28.992 29.762 -0.007 0.000 1.653 797 H HN 0.463 nan 8.280 nan 0.000 0.557 798 I N 1.257 121.879 120.570 0.086 0.000 2.533 798 I HA -0.080 4.089 4.170 -0.001 0.000 0.284 798 I C 0.765 176.924 176.117 0.071 0.000 1.109 798 I CA 0.026 61.364 61.300 0.063 0.000 1.412 798 I CB 0.687 38.715 38.000 0.045 0.000 1.396 798 I HN 0.015 nan 8.210 nan 0.000 0.543 799 D N 4.387 124.825 120.400 0.064 0.000 2.801 799 D HA 0.021 4.660 4.640 -0.001 0.000 0.232 799 D C 1.282 177.622 176.300 0.067 0.000 1.128 799 D CA 0.019 54.053 54.000 0.057 0.000 1.003 799 D CB 0.324 41.151 40.800 0.045 0.000 1.110 799 D HN 0.546 nan 8.370 nan 0.000 0.477 800 S N 0.038 115.784 115.700 0.077 0.000 2.496 800 S HA 0.235 4.704 4.470 -0.001 0.000 0.224 800 S C 1.612 176.264 174.600 0.087 0.000 0.996 800 S CA 0.300 58.560 58.200 0.099 0.000 0.927 800 S CB -0.168 63.103 63.200 0.119 0.000 0.774 800 S HN 0.513 nan 8.310 nan 0.000 0.524 801 G N 3.161 112.001 108.800 0.067 0.000 2.565 801 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.295 801 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.295 801 G C 0.125 175.067 174.900 0.070 0.000 1.165 801 G CA 0.572 45.707 45.100 0.059 0.000 0.977 801 G HN 0.772 nan 8.290 nan 0.000 0.546 802 D N 0.178 120.623 120.400 0.075 0.000 2.440 802 D HA 0.358 4.997 4.640 -0.001 0.000 0.216 802 D C 0.687 177.067 176.300 0.135 0.000 1.150 802 D CA -0.227 53.834 54.000 0.102 0.000 0.832 802 D CB 0.277 41.123 40.800 0.077 0.000 0.992 802 D HN 0.455 nan 8.370 nan 0.000 0.502 803 I N 1.469 122.103 120.570 0.106 0.000 2.437 803 I HA 0.499 4.669 4.170 -0.001 0.000 0.298 803 I C -0.269 175.934 176.117 0.143 0.000 0.984 803 I CA -1.059 60.248 61.300 0.013 0.000 1.214 803 I CB 0.683 38.660 38.000 -0.039 0.000 1.365 803 I HN -0.026 nan 8.210 nan 0.000 0.469 804 F N 4.481 124.255 119.950 -0.293 0.000 2.711 804 F HA 0.685 5.212 4.527 -0.001 0.000 0.313 804 F C -2.050 173.401 175.800 -0.582 0.000 1.141 804 F CA -1.398 56.449 58.000 -0.255 0.000 0.941 804 F CB 1.207 40.129 39.000 -0.130 0.000 1.349 804 F HN 0.187 nan 8.300 nan 0.000 0.464 805 Y N 0.091 120.154 120.300 -0.394 0.000 2.425 805 Y HA 0.684 5.234 4.550 -0.001 0.000 0.344 805 Y C 0.043 175.762 175.900 -0.300 0.000 0.969 805 Y CA -0.677 57.060 58.100 -0.604 0.000 1.052 805 Y CB 2.461 40.151 38.460 -1.284 0.000 1.215 805 Y HN 0.897 nan 8.280 nan 0.000 0.451 806 T N -1.340 113.134 114.554 -0.132 0.000 2.906 806 T HA 0.465 4.814 4.350 -0.001 0.000 0.295 806 T C -1.053 173.453 174.700 -0.323 0.000 1.075 806 T CA -1.088 60.951 62.100 -0.102 0.000 1.005 806 T CB 2.004 70.791 68.868 -0.136 0.000 1.136 806 T HN 0.585 nan 8.240 nan 0.000 0.498 807 D N 1.133 121.187 120.400 -0.576 0.000 2.340 807 D HA 0.343 4.983 4.640 -0.001 0.000 0.251 807 D C -0.600 175.430 176.300 -0.450 0.000 1.080 807 D CA -0.796 52.686 54.000 -0.864 0.000 0.971 807 D CB 1.222 41.250 40.800 -1.286 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 1.059 122.060 121.223 -0.369 0.000 2.318 808 L HA 0.213 4.552 4.340 -0.001 0.000 0.277 808 L C -0.130 176.617 176.870 -0.205 0.000 1.008 808 L CA -0.764 53.952 54.840 -0.207 0.000 0.846 808 L CB 0.360 42.361 42.059 -0.098 0.000 1.220 808 L HN 0.457 nan 8.230 nan 0.000 0.423 809 N N 2.088 120.673 118.700 -0.191 0.000 2.714 809 N HA -0.227 4.513 4.740 -0.001 0.000 0.250 809 N C 0.984 176.285 175.510 -0.347 0.000 1.117 809 N CA 0.918 53.853 53.050 -0.190 0.000 0.719 809 N CB -1.092 37.357 38.487 -0.064 0.000 1.081 809 N HN 1.065 nan 8.380 nan 0.000 0.557 810 G N -1.606 106.996 108.800 -0.331 0.000 2.155 810 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.257 810 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.257 810 G C 0.631 175.504 174.900 -0.044 0.000 0.983 810 G CA 0.701 45.638 45.100 -0.272 0.000 0.676 810 G HN 0.491 nan 8.290 nan 0.000 0.528 811 L N -0.379 120.755 121.223 -0.149 0.000 2.467 811 L HA 0.498 4.838 4.340 -0.001 0.000 0.213 811 L C 0.988 177.742 176.870 -0.193 0.000 1.053 811 L CA 1.953 56.620 54.840 -0.289 0.000 0.847 811 L CB 0.152 41.882 42.059 -0.547 0.000 1.075 811 L HN 0.698 nan 8.230 nan 0.000 0.479 812 Q N -1.740 117.952 119.800 -0.181 0.000 2.435 812 Q HA 0.351 4.690 4.340 -0.001 0.000 0.282 812 Q C -1.680 174.210 176.000 -0.184 0.000 1.020 812 Q CA -0.735 55.026 55.803 -0.070 0.000 0.820 812 Q CB 1.082 29.835 28.738 0.027 0.000 1.436 812 Q HN -0.043 nan 8.270 nan 0.000 0.395 813 F N 1.388 121.294 119.950 -0.074 0.000 2.436 813 F HA 0.594 5.121 4.527 -0.001 0.000 0.340 813 F C -0.124 175.639 175.800 -0.061 0.000 1.113 813 F CA -0.832 57.137 58.000 -0.052 0.000 1.022 813 F CB 1.604 40.619 39.000 0.025 0.000 1.128 813 F HN 0.537 nan 8.300 nan 0.000 0.466 814 I N 3.838 124.409 120.570 0.002 0.000 2.474 814 I HA 0.331 4.501 4.170 -0.001 0.000 0.294 814 I C -0.478 175.499 176.117 -0.234 0.000 1.005 814 I CA -0.879 60.372 61.300 -0.081 0.000 1.113 814 I CB 1.279 39.184 38.000 -0.160 0.000 1.289 814 I HN 0.510 nan 8.210 nan 0.000 0.436 815 K N 6.880 127.096 120.400 -0.306 0.000 2.368 815 K HA 0.259 4.578 4.320 -0.001 0.000 0.282 815 K C -0.872 175.280 176.600 -0.748 0.000 1.035 815 K CA -0.341 55.492 56.287 -0.757 0.000 0.973 815 K CB 0.520 32.713 32.500 -0.513 0.000 0.957 815 K HN 0.514 nan 8.250 nan 0.000 0.474 816 R N 3.320 123.198 120.500 -1.037 0.000 2.664 816 R HA 0.357 4.696 4.340 -0.001 0.000 0.286 816 R C -0.510 175.304 176.300 -0.810 0.000 0.967 816 R CA -0.798 54.634 56.100 -1.114 0.000 0.933 816 R CB 1.521 30.624 30.300 -1.994 0.000 1.146 816 R HN 0.678 nan 8.270 nan 0.000 0.468 817 R N 1.493 121.727 120.500 -0.444 0.000 2.476 817 R HA 0.307 4.646 4.340 -0.001 0.000 0.305 817 R C -0.496 175.848 176.300 0.073 0.000 0.965 817 R CA -0.688 55.327 56.100 -0.143 0.000 0.867 817 R CB 1.583 31.838 30.300 -0.076 0.000 1.176 817 R HN 0.553 nan 8.270 nan 0.000 0.447 818 R N 4.089 124.736 120.500 0.245 0.000 2.623 818 R HA 0.126 4.466 4.340 -0.001 0.000 0.271 818 R C -0.866 175.519 176.300 0.141 0.000 1.043 818 R CA 0.329 56.599 56.100 0.284 0.000 1.083 818 R CB 0.443 30.887 30.300 0.239 0.000 0.974 818 R HN 0.523 nan 8.270 nan 0.000 0.436 819 L N 4.362 125.647 121.223 0.103 0.000 2.372 819 L HA 0.225 4.565 4.340 -0.001 0.000 0.273 819 L C -0.021 176.845 176.870 -0.007 0.000 0.989 819 L CA -0.698 54.161 54.840 0.031 0.000 0.841 819 L CB 2.043 44.093 42.059 -0.014 0.000 1.225 819 L HN 0.678 nan 8.230 nan 0.000 0.414 820 D N 1.568 121.970 120.400 0.004 0.000 2.348 820 D HA -0.116 4.523 4.640 -0.001 0.000 0.216 820 D C 1.718 178.003 176.300 -0.025 0.000 0.970 820 D CA 0.809 54.806 54.000 -0.006 0.000 0.889 820 D CB 0.367 41.172 40.800 0.009 0.000 0.912 820 D HN 0.562 nan 8.370 nan 0.000 0.524 821 K N 0.256 120.634 120.400 -0.038 0.000 2.439 821 K HA 0.000 4.320 4.320 -0.001 0.000 0.197 821 K C 0.681 177.222 176.600 -0.098 0.000 1.041 821 K CA 0.377 56.638 56.287 -0.043 0.000 0.970 821 K CB 0.290 32.779 32.500 -0.018 0.000 0.773 821 K HN 0.106 nan 8.250 nan 0.000 0.479 822 L N 2.316 123.443 121.223 -0.161 0.000 2.334 822 L HA 0.458 4.798 4.340 -0.001 0.000 0.272 822 L C -2.234 174.534 176.870 -0.171 0.000 1.020 822 L CA -2.916 51.788 54.840 -0.228 0.000 0.812 822 L CB 1.399 43.224 42.059 -0.389 0.000 1.264 822 L HN -0.041 nan 8.230 nan 0.000 0.439 823 P HA 0.036 nan 4.420 nan 0.000 0.272 823 P C 0.862 178.041 177.300 -0.201 0.000 1.240 823 P CA -0.407 62.602 63.100 -0.151 0.000 0.791 823 P CB 1.246 32.883 31.700 -0.105 0.000 0.978 824 L N 0.889 122.023 121.223 -0.148 0.000 2.021 824 L HA -0.286 4.053 4.340 -0.001 0.000 0.215 824 L C 2.491 179.274 176.870 -0.145 0.000 1.074 824 L CA 1.980 56.755 54.840 -0.110 0.000 0.760 824 L CB -0.633 41.358 42.059 -0.114 0.000 0.889 824 L HN 0.439 nan 8.230 nan 0.000 0.433 825 Q N -0.431 119.178 119.800 -0.317 0.000 2.291 825 Q HA -0.150 4.190 4.340 -0.001 0.000 0.205 825 Q C 1.880 177.779 176.000 -0.168 0.000 0.970 825 Q CA 1.415 57.062 55.803 -0.260 0.000 0.876 825 Q CB -0.474 28.038 28.738 -0.377 0.000 0.935 825 Q HN 0.609 nan 8.270 nan 0.000 0.455 826 A N 1.600 124.106 122.820 -0.524 0.000 2.067 826 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 826 A C 1.671 179.067 177.584 -0.312 0.000 1.156 826 A CA 0.817 52.394 52.037 -0.767 0.000 0.683 826 A CB -0.217 17.975 19.000 -1.347 0.000 0.808 826 A HN 0.345 nan 8.150 nan 0.000 0.455 827 N N -1.173 117.458 118.700 -0.115 0.000 2.398 827 N HA 0.038 4.778 4.740 -0.001 0.000 0.188 827 N C -0.788 174.812 175.510 0.149 0.000 1.122 827 N CA 0.250 53.350 53.050 0.082 0.000 0.866 827 N CB 0.011 38.594 38.487 0.159 0.000 0.970 827 N HN 0.464 nan 8.380 nan 0.000 0.462 828 Y N 0.241 120.493 120.300 -0.080 0.000 2.304 828 Y HA 0.206 4.756 4.550 -0.001 0.000 0.328 828 Y C -0.184 175.653 175.900 -0.104 0.000 1.123 828 Y CA -0.141 57.994 58.100 0.059 0.000 1.218 828 Y CB 0.405 38.973 38.460 0.179 0.000 1.207 828 Y HN -0.073 nan 8.280 nan 0.000 0.495 829 Y N 3.003 123.436 120.300 0.223 0.000 2.605 829 Y HA 0.449 4.999 4.550 -0.001 0.000 0.343 829 Y C -2.330 173.268 175.900 -0.504 0.000 1.036 829 Y CA -2.946 55.137 58.100 -0.029 0.000 1.065 829 Y CB 1.478 39.914 38.460 -0.041 0.000 1.288 829 Y HN 0.438 nan 8.280 nan 0.000 0.481 830 P HA 0.123 nan 4.420 nan 0.000 0.271 830 P C -0.647 176.408 177.300 -0.408 0.000 1.216 830 P CA 0.244 62.755 63.100 -0.982 0.000 0.776 830 P CB 0.528 31.544 31.700 -1.140 0.000 0.881 831 I N 4.959 125.375 120.570 -0.258 0.000 2.620 831 I HA 0.172 4.341 4.170 -0.001 0.000 0.280 831 I C -1.721 174.324 176.117 -0.121 0.000 1.143 831 I CA -2.455 58.764 61.300 -0.135 0.000 1.163 831 I CB 0.757 38.735 38.000 -0.036 0.000 1.461 831 I HN 0.205 nan 8.210 nan 0.000 0.530 832 P HA -0.043 nan 4.420 nan 0.000 0.225 832 P C 1.031 178.299 177.300 -0.053 0.000 1.156 832 P CA 1.122 64.150 63.100 -0.121 0.000 0.787 832 P CB 0.601 32.202 31.700 -0.166 0.000 0.802 833 S N -3.474 112.199 115.700 -0.044 0.000 2.483 833 S HA 0.464 4.934 4.470 -0.001 0.000 0.280 833 S C 0.546 175.233 174.600 0.146 0.000 1.059 833 S CA 0.343 58.573 58.200 0.050 0.000 1.359 833 S CB 0.282 63.534 63.200 0.087 0.000 1.171 833 S HN 0.331 nan 8.310 nan 0.000 0.625 834 G N 1.496 110.383 108.800 0.145 0.000 2.368 834 G HA2 0.545 4.504 3.960 -0.001 0.000 0.293 834 G HA3 0.545 4.504 3.960 -0.001 0.000 0.293 834 G C -1.527 173.616 174.900 0.405 0.000 1.467 834 G CA -0.378 44.928 45.100 0.344 0.000 0.804 834 G HN 0.953 nan 8.290 nan 0.000 0.535 835 M N -0.740 119.124 119.600 0.439 0.000 2.534 835 M HA 0.878 5.358 4.480 -0.001 0.000 0.280 835 M C -1.793 174.738 176.300 0.384 0.000 1.217 835 M CA -1.023 54.493 55.300 0.360 0.000 0.893 835 M CB 2.527 35.247 32.600 0.200 0.000 1.730 835 M HN 1.261 nan 8.290 nan 0.000 0.483 836 F N 1.066 121.163 119.950 0.245 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.774 174.160 175.800 0.224 0.000 1.117 836 F CA -1.173 56.910 58.000 0.137 0.000 0.951 836 F CB 1.139 40.130 39.000 -0.015 0.000 1.323 836 F HN 0.784 nan 8.300 nan 0.000 0.451 837 I N -0.030 120.774 120.570 0.391 0.000 2.785 837 I HA 0.893 5.063 4.170 -0.001 0.000 0.302 837 I C -1.388 174.917 176.117 0.314 0.000 1.069 837 I CA -0.898 60.596 61.300 0.324 0.000 1.045 837 I CB 2.408 40.515 38.000 0.178 0.000 1.236 837 I HN 0.948 nan 8.210 nan 0.000 0.429 838 E N 2.039 122.408 120.200 0.280 0.000 2.412 838 E HA 0.539 4.889 4.350 -0.001 0.000 0.279 838 E C -2.040 174.644 176.600 0.140 0.000 0.984 838 E CA -0.842 55.666 56.400 0.179 0.000 0.788 838 E CB 2.214 32.009 29.700 0.158 0.000 1.277 838 E HN 0.743 nan 8.360 nan 0.000 0.455 839 D N 0.753 121.204 120.400 0.085 0.000 2.723 839 D HA 0.462 5.101 4.640 -0.001 0.000 0.247 839 D C 0.947 177.275 176.300 0.047 0.000 1.134 839 D CA -0.168 53.874 54.000 0.070 0.000 1.099 839 D CB -0.036 40.798 40.800 0.057 0.000 1.287 839 D HN 0.449 nan 8.370 nan 0.000 0.634 840 A N -0.689 122.153 122.820 0.036 0.000 1.978 840 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 840 A C 1.569 179.156 177.584 0.006 0.000 1.170 840 A CA 1.630 53.680 52.037 0.021 0.000 0.636 840 A CB -0.740 18.271 19.000 0.019 0.000 0.810 840 A HN 0.514 nan 8.150 nan 0.000 0.448 841 N N -1.755 116.947 118.700 0.004 0.000 2.397 841 N HA 0.076 4.815 4.740 -0.001 0.000 0.190 841 N C -0.413 175.085 175.510 -0.020 0.000 1.099 841 N CA 0.759 53.804 53.050 -0.009 0.000 0.876 841 N CB 0.604 39.088 38.487 -0.005 0.000 1.143 841 N HN 0.308 nan 8.380 nan 0.000 0.468 842 T N 0.530 115.077 114.554 -0.012 0.000 2.893 842 T HA 0.450 4.800 4.350 -0.001 0.000 0.293 842 T C -0.635 174.055 174.700 -0.016 0.000 1.027 842 T CA -0.654 61.433 62.100 -0.021 0.000 0.988 842 T CB 2.831 71.692 68.868 -0.012 0.000 1.043 842 T HN -0.045 nan 8.240 nan 0.000 0.461 843 R N 2.032 122.505 120.500 -0.045 0.000 2.686 843 R HA 0.721 5.061 4.340 -0.001 0.000 0.283 843 R C -1.945 174.331 176.300 -0.041 0.000 0.978 843 R CA -0.895 55.181 56.100 -0.041 0.000 0.897 843 R CB 1.298 31.508 30.300 -0.151 0.000 1.192 843 R HN 0.449 nan 8.270 nan 0.000 0.457 844 L N 2.727 123.957 121.223 0.011 0.000 2.325 844 L HA 0.500 4.839 4.340 -0.001 0.000 0.281 844 L C -1.264 175.646 176.870 0.066 0.000 1.004 844 L CA 0.091 54.932 54.840 0.000 0.000 0.823 844 L CB 2.216 44.262 42.059 -0.021 0.000 1.236 844 L HN 0.639 nan 8.230 nan 0.000 0.415 845 T N 5.723 120.295 114.554 0.030 0.000 2.807 845 T HA 0.554 4.904 4.350 -0.001 0.000 0.279 845 T C -1.037 173.724 174.700 0.102 0.000 0.993 845 T CA -0.268 61.889 62.100 0.096 0.000 0.970 845 T CB 1.365 70.220 68.868 -0.021 0.000 0.950 845 T HN 0.450 nan 8.240 nan 0.000 0.441 846 L N 5.227 126.546 121.223 0.159 0.000 2.294 846 L HA 0.526 4.865 4.340 -0.001 0.000 0.283 846 L C -1.257 175.753 176.870 0.234 0.000 1.015 846 L CA -0.706 54.237 54.840 0.172 0.000 0.831 846 L CB 0.500 42.639 42.059 0.133 0.000 1.217 846 L HN 0.408 nan 8.230 nan 0.000 0.420 847 L N 4.141 125.503 121.223 0.233 0.000 2.343 847 L HA 0.623 4.962 4.340 -0.001 0.000 0.275 847 L C 0.297 177.313 176.870 0.244 0.000 1.056 847 L CA -0.180 54.797 54.840 0.228 0.000 0.804 847 L CB 1.395 43.555 42.059 0.168 0.000 1.203 847 L HN 0.601 nan 8.230 nan 0.000 0.440 848 T N 0.578 115.231 114.554 0.164 0.000 2.887 848 T HA 0.478 4.827 4.350 -0.001 0.000 0.288 848 T C 0.847 175.511 174.700 -0.060 0.000 1.021 848 T CA -0.341 61.779 62.100 0.034 0.000 1.000 848 T CB 1.923 70.831 68.868 0.066 0.000 1.034 848 T HN 0.779 nan 8.240 nan 0.000 0.467 849 G N 1.477 110.166 108.800 -0.184 0.000 3.284 849 G HA2 0.328 4.288 3.960 -0.001 0.000 0.236 849 G HA3 0.328 4.288 3.960 -0.001 0.000 0.236 849 G C 0.141 174.973 174.900 -0.113 0.000 1.158 849 G CA -0.236 44.784 45.100 -0.134 0.000 0.774 849 G HN 0.596 nan 8.290 nan 0.000 0.545 850 Q N -0.252 119.479 119.800 -0.115 0.000 2.479 850 Q HA 0.297 4.637 4.340 -0.001 0.000 0.276 850 Q C -3.547 172.416 176.000 -0.061 0.000 0.989 850 Q CA -2.309 53.452 55.803 -0.071 0.000 0.864 850 Q CB 1.868 30.579 28.738 -0.044 0.000 1.444 850 Q HN -0.012 nan 8.270 nan 0.000 0.388 851 P HA 0.475 nan 4.420 nan 0.000 0.281 851 P C -0.689 176.599 177.300 -0.020 0.000 1.252 851 P CA -0.163 62.920 63.100 -0.029 0.000 0.778 851 P CB 0.987 32.676 31.700 -0.019 0.000 0.895 852 L N 1.637 122.842 121.223 -0.028 0.000 2.491 852 L HA 0.659 4.999 4.340 -0.001 0.000 0.254 852 L C 0.736 177.623 176.870 0.029 0.000 1.048 852 L CA -1.140 53.706 54.840 0.011 0.000 0.855 852 L CB 2.115 44.167 42.059 -0.011 0.000 1.466 852 L HN 0.336 nan 8.230 nan 0.000 0.409 853 G N -0.865 108.009 108.800 0.123 0.000 2.420 853 G HA2 0.665 4.624 3.960 -0.001 0.000 0.284 853 G HA3 0.665 4.624 3.960 -0.001 0.000 0.284 853 G C -0.438 174.486 174.900 0.041 0.000 1.177 853 G CA 0.166 45.392 45.100 0.211 0.000 0.841 853 G HN 0.877 nan 8.290 nan 0.000 0.527 854 G N -1.406 107.233 108.800 -0.269 0.000 2.550 854 G HA2 0.673 4.632 3.960 -0.001 0.000 0.293 854 G HA3 0.673 4.632 3.960 -0.001 0.000 0.293 854 G C -1.201 173.248 174.900 -0.751 0.000 1.402 854 G CA 0.410 45.158 45.100 -0.586 0.000 0.784 854 G HN 1.262 nan 8.290 nan 0.000 0.482 855 S N -1.882 113.441 115.700 -0.628 0.000 2.661 855 S HA 0.721 5.191 4.470 -0.001 0.000 0.268 855 S C -1.531 172.620 174.600 -0.748 0.000 1.162 855 S CA 0.305 58.132 58.200 -0.622 0.000 0.817 855 S CB 1.353 64.252 63.200 -0.502 0.000 1.141 855 S HN 1.544 nan 8.310 nan 0.000 0.477 856 S N 1.712 116.670 115.700 -1.236 0.000 2.718 856 S HA 0.492 4.961 4.470 -0.001 0.000 0.294 856 S C 0.119 174.470 174.600 -0.415 0.000 1.157 856 S CA -0.641 57.115 58.200 -0.739 0.000 1.121 856 S CB -0.032 62.690 63.200 -0.798 0.000 1.015 856 S HN 0.581 nan 8.310 nan 0.000 0.479 857 L N 3.232 124.352 121.223 -0.172 0.000 2.592 857 L HA 0.505 4.844 4.340 -0.001 0.000 0.227 857 L C 0.818 177.681 176.870 -0.012 0.000 1.127 857 L CA 0.190 55.007 54.840 -0.039 0.000 0.884 857 L CB 0.015 42.109 42.059 0.058 0.000 1.065 857 L HN 0.703 nan 8.230 nan 0.000 0.457 858 A N -1.210 121.591 122.820 -0.032 0.000 2.604 858 A HA 0.455 4.774 4.320 -0.001 0.000 0.295 858 A C -0.463 177.119 177.584 -0.002 0.000 1.067 858 A CA -0.440 51.596 52.037 -0.002 0.000 0.683 858 A CB 1.207 20.213 19.000 0.010 0.000 1.281 858 A HN -0.138 nan 8.150 nan 0.000 0.407 859 S N -0.146 115.566 115.700 0.020 0.000 2.558 859 S HA 0.398 4.868 4.470 -0.001 0.000 0.293 859 S C 1.545 176.166 174.600 0.035 0.000 1.292 859 S CA 1.883 60.103 58.200 0.033 0.000 1.063 859 S CB -0.015 63.208 63.200 0.038 0.000 0.831 859 S HN 2.664 nan 8.310 nan 0.000 0.499 860 G N 3.323 112.146 108.800 0.039 0.000 2.184 860 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.264 860 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.264 860 G C -0.140 174.760 174.900 -0.001 0.000 0.975 860 G CA 0.533 45.656 45.100 0.038 0.000 0.642 860 G HN 0.726 nan 8.290 nan 0.000 0.536 861 E N -0.410 119.775 120.200 -0.025 0.000 2.214 861 E HA 0.741 5.091 4.350 -0.001 0.000 0.274 861 E C -0.118 176.420 176.600 -0.103 0.000 0.977 861 E CA -0.682 55.679 56.400 -0.064 0.000 0.827 861 E CB 1.684 31.348 29.700 -0.061 0.000 1.130 861 E HN 0.254 nan 8.360 nan 0.000 0.394 862 L N 1.897 123.052 121.223 -0.113 0.000 2.370 862 L HA 0.477 4.817 4.340 -0.001 0.000 0.266 862 L C -0.484 176.313 176.870 -0.122 0.000 1.002 862 L CA -0.625 54.138 54.840 -0.128 0.000 0.818 862 L CB 1.936 43.948 42.059 -0.079 0.000 1.325 862 L HN 0.664 nan 8.230 nan 0.000 0.418 863 E N 2.853 122.974 120.200 -0.132 0.000 2.390 863 E HA 0.695 5.045 4.350 -0.001 0.000 0.277 863 E C -1.570 174.983 176.600 -0.078 0.000 0.939 863 E CA -0.842 55.512 56.400 -0.076 0.000 0.769 863 E CB 3.322 33.024 29.700 0.003 0.000 1.251 863 E HN 0.529 nan 8.360 nan 0.000 0.450 864 I N 2.173 122.732 120.570 -0.017 0.000 2.571 864 I HA 0.325 4.495 4.170 -0.001 0.000 0.289 864 I C -1.357 174.823 176.117 0.104 0.000 1.115 864 I CA -1.109 60.204 61.300 0.021 0.000 1.045 864 I CB 1.929 39.941 38.000 0.021 0.000 1.238 864 I HN 0.784 nan 8.210 nan 0.000 0.424 865 M N 6.282 125.981 119.600 0.164 0.000 2.228 865 M HA 0.214 4.694 4.480 -0.001 0.000 0.351 865 M C 0.574 176.971 176.300 0.161 0.000 1.233 865 M CA 0.653 56.057 55.300 0.174 0.000 1.129 865 M CB 0.904 33.580 32.600 0.126 0.000 1.604 865 M HN 0.584 nan 8.290 nan 0.000 0.457 866 Q N 1.418 121.348 119.800 0.216 0.000 2.287 866 Q HA 0.261 4.600 4.340 -0.001 0.000 0.201 866 Q C -0.259 175.947 176.000 0.343 0.000 0.946 866 Q CA 0.821 56.819 55.803 0.325 0.000 0.868 866 Q CB 0.381 29.343 28.738 0.373 0.000 0.967 866 Q HN 0.769 nan 8.270 nan 0.000 0.516 867 D N -0.933 119.602 120.400 0.225 0.000 2.671 867 D HA 0.296 4.936 4.640 -0.001 0.000 0.273 867 D C -1.439 174.933 176.300 0.121 0.000 1.264 867 D CA -0.486 53.624 54.000 0.182 0.000 0.788 867 D CB 1.452 42.353 40.800 0.167 0.000 1.324 867 D HN 0.045 nan 8.370 nan 0.000 0.424 868 R N 0.769 121.329 120.500 0.101 0.000 2.584 868 R HA 0.690 5.029 4.340 -0.001 0.000 0.276 868 R C -1.097 175.249 176.300 0.077 0.000 1.046 868 R CA -1.056 55.088 56.100 0.073 0.000 0.906 868 R CB 2.104 32.420 30.300 0.027 0.000 1.215 868 R HN 0.323 nan 8.270 nan 0.000 0.449 869 R N 3.679 124.222 120.500 0.071 0.000 2.483 869 R HA 0.473 4.812 4.340 -0.001 0.000 0.303 869 R C -1.516 174.819 176.300 0.059 0.000 0.987 869 R CA -0.573 55.566 56.100 0.064 0.000 0.881 869 R CB 1.292 31.625 30.300 0.056 0.000 1.177 869 R HN 0.712 nan 8.270 nan 0.000 0.451 870 L N 3.871 125.128 121.223 0.056 0.000 2.381 870 L HA 0.535 4.875 4.340 -0.001 0.000 0.274 870 L C 0.717 177.614 176.870 0.044 0.000 0.988 870 L CA -0.556 54.315 54.840 0.052 0.000 0.824 870 L CB 2.167 44.259 42.059 0.055 0.000 1.263 870 L HN 0.797 nan 8.230 nan 0.000 0.410 871 A N 1.515 124.357 122.820 0.036 0.000 2.067 871 A HA 0.156 4.476 4.320 -0.001 0.000 0.217 871 A C 0.957 178.557 177.584 0.027 0.000 1.156 871 A CA 0.668 52.722 52.037 0.029 0.000 0.683 871 A CB 0.034 19.047 19.000 0.021 0.000 0.808 871 A HN 0.605 nan 8.150 nan 0.000 0.455 872 S N -0.022 115.694 115.700 0.027 0.000 2.593 872 S HA 0.408 4.877 4.470 -0.001 0.000 0.297 872 S C -0.650 173.970 174.600 0.033 0.000 1.112 872 S CA -0.650 57.564 58.200 0.024 0.000 1.043 872 S CB 1.454 64.663 63.200 0.015 0.000 1.054 872 S HN 0.482 nan 8.310 nan 0.000 0.516 873 D N 0.582 121.002 120.400 0.032 0.000 2.341 873 D HA 0.178 4.817 4.640 -0.001 0.000 0.245 873 D C -0.056 176.262 176.300 0.029 0.000 1.106 873 D CA -0.291 53.736 54.000 0.045 0.000 0.905 873 D CB 0.660 41.485 40.800 0.042 0.000 1.202 873 D HN 0.503 nan 8.370 nan 0.000 0.426 874 D N 2.059 122.480 120.400 0.036 0.000 2.525 874 D HA 0.073 4.713 4.640 -0.001 0.000 0.229 874 D C -0.284 175.971 176.300 -0.074 0.000 1.202 874 D CA -0.272 53.716 54.000 -0.020 0.000 0.828 874 D CB -0.368 40.412 40.800 -0.034 0.000 1.008 874 D HN 0.685 nan 8.370 nan 0.000 0.493 875 E N -0.543 119.638 120.200 -0.033 0.000 3.181 875 E HA -0.204 4.146 4.350 -0.001 0.000 0.293 875 E C 0.360 176.911 176.600 -0.081 0.000 0.936 875 E CA 0.259 56.635 56.400 -0.041 0.000 0.975 875 E CB -0.734 28.939 29.700 -0.046 0.000 1.496 875 E HN 0.194 nan 8.360 nan 0.000 0.429 876 R N -0.502 119.910 120.500 -0.147 0.000 2.509 876 R HA 0.228 4.568 4.340 -0.001 0.000 0.300 876 R C 1.393 177.710 176.300 0.029 0.000 0.985 876 R CA 0.764 56.682 56.100 -0.303 0.000 1.092 876 R CB 1.057 30.686 30.300 -1.117 0.000 1.237 876 R HN 0.389 nan 8.270 nan 0.000 0.546 877 G N 0.616 109.541 108.800 0.208 0.000 2.231 877 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.206 877 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.206 877 G C 0.715 175.753 174.900 0.230 0.000 0.996 877 G CA 0.176 45.506 45.100 0.382 0.000 0.645 877 G HN 0.275 nan 8.290 nan 0.000 0.498 878 L N 1.559 123.000 121.223 0.364 0.000 2.109 878 L HA 0.461 4.801 4.340 -0.001 0.000 0.207 878 L C 2.201 179.076 176.870 0.008 0.000 1.086 878 L CA 2.743 57.691 54.840 0.180 0.000 0.760 878 L CB -0.652 41.654 42.059 0.410 0.000 0.910 878 L HN 1.682 nan 8.230 nan 0.000 0.437 879 G N -0.338 108.494 108.800 0.054 0.000 2.198 879 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G C 0.065 174.978 174.900 0.021 0.000 1.025 879 G CA 0.677 45.788 45.100 0.018 0.000 0.769 879 G HN 0.780 nan 8.290 nan 0.000 0.507 880 Q N -1.947 117.881 119.800 0.047 0.000 2.575 880 Q HA 0.696 5.036 4.340 -0.001 0.000 0.290 880 Q C 0.465 176.500 176.000 0.059 0.000 0.963 880 Q CA -0.651 55.178 55.803 0.044 0.000 0.783 880 Q CB 0.551 29.314 28.738 0.040 0.000 1.467 880 Q HN 0.893 nan 8.270 nan 0.000 0.402 881 G N 0.058 108.888 108.800 0.050 0.000 2.494 881 G HA2 0.467 4.427 3.960 -0.001 0.000 0.270 881 G HA3 0.467 4.427 3.960 -0.001 0.000 0.270 881 G C -0.877 174.058 174.900 0.059 0.000 1.423 881 G CA -0.619 44.513 45.100 0.053 0.000 1.055 881 G HN 0.393 nan 8.290 nan 0.000 0.536 882 V N 0.809 120.759 119.914 0.059 0.000 2.284 882 V HA 0.343 4.463 4.120 -0.001 0.000 0.274 882 V C 0.125 176.257 176.094 0.064 0.000 1.023 882 V CA -0.141 62.200 62.300 0.068 0.000 0.808 882 V CB 0.885 32.752 31.823 0.074 0.000 1.035 882 V HN 0.539 nan 8.190 nan 0.000 0.445 883 L N 3.435 124.694 121.223 0.061 0.000 3.333 883 L HA 0.329 4.668 4.340 -0.001 0.000 0.299 883 L C 0.513 177.414 176.870 0.051 0.000 1.256 883 L CA 0.034 54.904 54.840 0.051 0.000 1.037 883 L CB 0.723 42.806 42.059 0.040 0.000 1.423 883 L HN 0.678 nan 8.230 nan 0.000 0.605 884 D N -2.251 118.188 120.400 0.066 0.000 2.559 884 D HA 0.067 4.707 4.640 -0.001 0.000 0.234 884 D C 0.132 176.477 176.300 0.075 0.000 1.226 884 D CA -0.467 53.573 54.000 0.066 0.000 0.830 884 D CB -0.366 40.481 40.800 0.079 0.000 1.028 884 D HN 0.058 nan 8.370 nan 0.000 0.492 885 N N 1.679 120.422 118.700 0.070 0.000 2.395 885 N HA 0.109 4.849 4.740 -0.001 0.000 0.246 885 N C 0.173 175.698 175.510 0.026 0.000 1.246 885 N CA 0.387 53.479 53.050 0.070 0.000 0.879 885 N CB 0.637 39.161 38.487 0.062 0.000 1.098 885 N HN 0.323 nan 8.380 nan 0.000 0.444 886 K N -0.490 119.915 120.400 0.007 0.000 2.536 886 K HA 0.551 4.870 4.320 -0.001 0.000 0.269 886 K C -3.256 173.321 176.600 -0.038 0.000 0.965 886 K CA -2.011 54.236 56.287 -0.067 0.000 0.860 886 K CB 1.313 33.691 32.500 -0.204 0.000 1.423 886 K HN 0.124 nan 8.250 nan 0.000 0.438 887 P HA -0.010 nan 4.420 nan 0.000 0.265 887 P C -1.030 176.291 177.300 0.036 0.000 1.193 887 P CA -0.441 62.642 63.100 -0.028 0.000 0.765 887 P CB 0.771 32.444 31.700 -0.046 0.000 0.823 888 V N 5.075 124.977 119.914 -0.021 0.000 2.841 888 V HA 0.473 4.593 4.120 -0.001 0.000 0.310 888 V C -1.365 174.602 176.094 -0.213 0.000 1.090 888 V CA -1.097 61.168 62.300 -0.058 0.000 0.930 888 V CB 2.128 33.895 31.823 -0.092 0.000 1.014 888 V HN 0.278 nan 8.190 nan 0.000 0.425 889 L N 7.006 128.131 121.223 -0.164 0.000 2.272 889 L HA 0.594 4.933 4.340 -0.001 0.000 0.284 889 L C -0.334 176.509 176.870 -0.045 0.000 1.045 889 L CA 0.130 54.904 54.840 -0.110 0.000 0.842 889 L CB 0.316 42.334 42.059 -0.068 0.000 1.224 889 L HN 0.703 nan 8.230 nan 0.000 0.430 890 H N 5.668 124.749 119.070 0.018 0.000 2.582 890 H HA 0.462 5.018 4.556 -0.001 0.000 0.345 890 H C -0.070 175.142 175.328 -0.193 0.000 1.104 890 H CA -0.158 55.839 56.048 -0.084 0.000 1.390 890 H CB 1.142 30.921 29.762 0.028 0.000 1.461 890 H HN 0.692 nan 8.280 nan 0.000 0.551 891 I N 0.271 120.663 120.570 -0.298 0.000 2.689 891 I HA 0.604 4.774 4.170 -0.001 0.000 0.299 891 I C -1.406 174.362 176.117 -0.581 0.000 1.059 891 I CA -0.948 60.191 61.300 -0.267 0.000 1.055 891 I CB 2.092 40.031 38.000 -0.102 0.000 1.243 891 I HN 0.245 nan 8.210 nan 0.000 0.425 892 Y N 2.682 123.025 120.300 0.072 0.000 2.625 892 Y HA 0.691 5.240 4.550 -0.001 0.000 0.338 892 Y C -0.598 175.349 175.900 0.079 0.000 1.123 892 Y CA -1.086 57.063 58.100 0.082 0.000 1.046 892 Y CB 1.645 40.174 38.460 0.114 0.000 1.299 892 Y HN 0.424 nan 8.280 nan 0.000 0.464 893 R N 1.381 122.038 120.500 0.261 0.000 2.750 893 R HA 0.624 4.963 4.340 -0.001 0.000 0.281 893 R C -1.926 174.482 176.300 0.181 0.000 0.972 893 R CA -1.164 55.044 56.100 0.179 0.000 0.912 893 R CB 2.605 32.969 30.300 0.107 0.000 1.187 893 R HN 0.641 nan 8.270 nan 0.000 0.464 894 L N 2.208 123.518 121.223 0.145 0.000 2.343 894 L HA 0.438 4.777 4.340 -0.001 0.000 0.278 894 L C -1.242 175.657 176.870 0.049 0.000 0.996 894 L CA -0.576 54.328 54.840 0.106 0.000 0.831 894 L CB 1.866 44.001 42.059 0.127 0.000 1.232 894 L HN 0.314 nan 8.230 nan 0.000 0.413 895 V N 6.161 126.087 119.914 0.020 0.000 2.326 895 V HA 0.407 4.526 4.120 -0.001 0.000 0.281 895 V C -0.376 175.693 176.094 -0.042 0.000 1.015 895 V CA -0.588 61.703 62.300 -0.014 0.000 0.823 895 V CB 1.399 33.205 31.823 -0.027 0.000 1.009 895 V HN 0.626 nan 8.190 nan 0.000 0.436 896 L N 5.379 126.573 121.223 -0.048 0.000 2.275 896 L HA 0.682 5.021 4.340 -0.001 0.000 0.288 896 L C -0.141 176.688 176.870 -0.067 0.000 1.046 896 L CA 0.636 55.439 54.840 -0.062 0.000 0.805 896 L CB 1.044 43.064 42.059 -0.066 0.000 1.193 896 L HN 0.728 nan 8.230 nan 0.000 0.426 897 E N 3.558 123.711 120.200 -0.078 0.000 2.356 897 E HA 0.413 4.762 4.350 -0.001 0.000 0.275 897 E C -1.231 175.322 176.600 -0.078 0.000 0.904 897 E CA -1.207 55.142 56.400 -0.084 0.000 0.757 897 E CB 1.566 31.199 29.700 -0.111 0.000 1.232 897 E HN 0.235 nan 8.360 nan 0.000 0.442 898 K N 1.538 121.896 120.400 -0.070 0.000 2.297 898 K HA 0.163 4.483 4.320 -0.001 0.000 0.286 898 K C 0.428 176.985 176.600 -0.073 0.000 1.053 898 K CA -0.134 56.116 56.287 -0.062 0.000 0.940 898 K CB 1.022 33.491 32.500 -0.052 0.000 1.019 898 K HN 0.474 nan 8.250 nan 0.000 0.475 899 V N -0.292 119.580 119.914 -0.070 0.000 3.346 899 V HA 0.024 4.144 4.120 -0.001 0.000 0.309 899 V C 1.206 177.264 176.094 -0.060 0.000 1.457 899 V CA -0.227 62.023 62.300 -0.082 0.000 1.069 899 V CB -0.247 31.509 31.823 -0.111 0.000 0.944 899 V HN 0.608 nan 8.190 nan 0.000 0.449 900 N N 1.555 120.229 118.700 -0.044 0.000 2.348 900 N HA -0.199 4.540 4.740 -0.001 0.000 0.185 900 N C 1.049 176.538 175.510 -0.035 0.000 1.019 900 N CA 1.729 54.760 53.050 -0.032 0.000 0.880 900 N CB -0.566 37.907 38.487 -0.023 0.000 0.965 900 N HN 0.543 nan 8.380 nan 0.000 0.437 901 N N 0.031 118.705 118.700 -0.043 0.000 2.336 901 N HA 0.062 4.802 4.740 -0.001 0.000 0.189 901 N C -0.242 175.236 175.510 -0.053 0.000 1.113 901 N CA -0.075 52.949 53.050 -0.044 0.000 0.858 901 N CB 0.048 38.509 38.487 -0.043 0.000 0.970 901 N HN 0.219 nan 8.380 nan 0.000 0.471 902 c N 1.228 119.790 118.600 -0.064 0.000 2.601 902 c HA 0.249 4.819 4.570 -0.001 0.000 0.409 902 c C 1.041 175.091 174.090 -0.067 0.000 1.293 902 c CA -0.898 55.384 56.329 -0.078 0.000 2.101 902 c CB 0.827 43.277 42.510 -0.101 0.000 2.639 902 c HN 0.012 nan 8.230 nan 0.000 0.592 903 V N 5.689 125.559 119.914 -0.073 0.000 2.370 903 V HA 0.201 4.321 4.120 -0.001 0.000 0.257 903 V C 0.652 176.704 176.094 -0.070 0.000 1.064 903 V CA 0.385 62.646 62.300 -0.065 0.000 0.975 903 V CB -0.715 31.066 31.823 -0.071 0.000 1.067 903 V HN 0.785 nan 8.190 nan 0.000 0.485 904 R N 4.596 125.067 120.500 -0.048 0.000 2.758 904 R HA 0.535 4.875 4.340 -0.001 0.000 0.265 904 R C -2.440 173.849 176.300 -0.018 0.000 1.016 904 R CA -1.867 54.212 56.100 -0.035 0.000 1.040 904 R CB 1.076 31.361 30.300 -0.025 0.000 1.152 904 R HN 0.386 nan 8.270 nan 0.000 0.503 905 P HA -0.043 nan 4.420 nan 0.000 0.270 905 P C -0.398 176.938 177.300 0.061 0.000 1.223 905 P CA -0.184 62.900 63.100 -0.026 0.000 0.785 905 P CB 0.564 32.177 31.700 -0.144 0.000 0.923 906 S N 0.942 116.706 115.700 0.106 0.000 2.596 906 S HA 0.064 4.533 4.470 -0.001 0.000 0.260 906 S C 1.069 175.751 174.600 0.136 0.000 1.336 906 S CA -0.137 58.129 58.200 0.111 0.000 0.993 906 S CB 0.278 63.546 63.200 0.113 0.000 0.923 906 S HN 0.308 nan 8.310 nan 0.000 0.567 907 K N 0.449 120.911 120.400 0.102 0.000 2.281 907 K HA -0.005 4.314 4.320 -0.001 0.000 0.203 907 K C 1.472 178.130 176.600 0.097 0.000 1.046 907 K CA 1.338 57.683 56.287 0.097 0.000 0.938 907 K CB -0.551 31.989 32.500 0.068 0.000 0.737 907 K HN 0.556 nan 8.250 nan 0.000 0.458 908 L N -0.170 121.112 121.223 0.100 0.000 2.567 908 L HA 0.039 4.379 4.340 -0.001 0.000 0.225 908 L C 1.033 177.958 176.870 0.092 0.000 1.119 908 L CA -0.245 54.639 54.840 0.072 0.000 0.871 908 L CB -0.177 41.909 42.059 0.045 0.000 1.036 908 L HN 0.246 nan 8.230 nan 0.000 0.459 909 H N 2.504 121.614 119.070 0.066 0.000 2.803 909 H HA 0.071 4.627 4.556 -0.001 0.000 0.330 909 H C -1.759 173.613 175.328 0.073 0.000 1.057 909 H CA -1.327 54.773 56.048 0.087 0.000 1.458 909 H CB 1.771 31.611 29.762 0.131 0.000 1.470 909 H HN -0.091 nan 8.280 nan 0.000 0.560 910 P HA 0.127 nan 4.420 nan 0.000 0.249 910 P C -0.430 176.979 177.300 0.182 0.000 1.229 910 P CA 0.221 63.357 63.100 0.061 0.000 0.788 910 P CB 0.474 32.137 31.700 -0.062 0.000 1.072 911 A N -0.367 122.731 122.820 0.465 0.000 2.299 911 A HA 0.762 5.081 4.320 -0.001 0.000 0.332 911 A C 0.308 177.968 177.584 0.127 0.000 1.131 911 A CA -0.343 51.836 52.037 0.236 0.000 0.844 911 A CB 1.015 20.141 19.000 0.209 0.000 1.251 911 A HN 0.163 nan 8.150 nan 0.000 0.486 912 G N -1.429 107.322 108.800 -0.082 0.000 2.730 912 G HA2 0.637 4.596 3.960 -0.001 0.000 0.289 912 G HA3 0.637 4.596 3.960 -0.001 0.000 0.289 912 G C -1.865 172.685 174.900 -0.583 0.000 1.341 912 G CA -0.422 44.527 45.100 -0.252 0.000 0.932 912 G HN 0.530 nan 8.290 nan 0.000 0.481 913 Y N -0.895 119.367 120.300 -0.064 0.000 2.504 913 Y HA 0.479 5.029 4.550 -0.001 0.000 0.344 913 Y C 0.343 175.998 175.900 -0.408 0.000 1.023 913 Y CA -0.836 57.158 58.100 -0.177 0.000 1.020 913 Y CB 2.012 40.359 38.460 -0.189 0.000 1.282 913 Y HN 0.350 nan 8.280 nan 0.000 0.454 914 L N 2.263 123.316 121.223 -0.284 0.000 2.464 914 L HA 0.329 4.668 4.340 -0.001 0.000 0.264 914 L C 0.777 177.485 176.870 -0.270 0.000 1.199 914 L CA -0.501 54.092 54.840 -0.412 0.000 0.818 914 L CB 0.730 42.630 42.059 -0.265 0.000 1.102 914 L HN 0.798 nan 8.230 nan 0.000 0.473 915 T N -2.245 112.137 114.554 -0.286 0.000 2.788 915 T HA 0.023 4.373 4.350 -0.001 0.000 0.287 915 T C 1.210 175.850 174.700 -0.100 0.000 1.007 915 T CA -0.124 61.864 62.100 -0.187 0.000 1.005 915 T CB 1.401 70.156 68.868 -0.188 0.000 1.012 915 T HN 0.639 nan 8.240 nan 0.000 0.530 916 S N 0.815 116.469 115.700 -0.077 0.000 2.365 916 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 916 S C 2.335 176.939 174.600 0.006 0.000 1.039 916 S CA 1.645 59.832 58.200 -0.021 0.000 1.033 916 S CB -1.252 61.920 63.200 -0.046 0.000 0.887 916 S HN 0.944 nan 8.310 nan 0.000 0.447 917 A N 1.150 123.950 122.820 -0.033 0.000 1.902 917 A HA 0.238 4.558 4.320 -0.001 0.000 0.217 917 A C 2.482 180.057 177.584 -0.016 0.000 1.181 917 A CA 1.871 53.893 52.037 -0.026 0.000 0.623 917 A CB -1.347 17.628 19.000 -0.042 0.000 0.818 917 A HN 0.818 nan 8.150 nan 0.000 0.443 918 A N -1.021 121.777 122.820 -0.036 0.000 1.930 918 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 918 A C 2.013 179.622 177.584 0.041 0.000 1.175 918 A CA 1.993 54.014 52.037 -0.028 0.000 0.627 918 A CB -0.806 18.124 19.000 -0.116 0.000 0.815 918 A HN 0.766 nan 8.150 nan 0.000 0.443 919 H N 0.091 119.142 119.070 -0.031 0.000 2.326 919 H HA -0.017 4.538 4.556 -0.001 0.000 0.301 919 H C 1.918 177.276 175.328 0.050 0.000 1.081 919 H CA 2.144 58.209 56.048 0.029 0.000 1.334 919 H CB -0.097 29.675 29.762 0.017 0.000 1.385 919 H HN 0.402 nan 8.280 nan 0.000 0.504 920 K N -0.141 120.222 120.400 -0.061 0.000 2.097 920 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 920 K C 2.373 178.934 176.600 -0.066 0.000 1.049 920 K CA 0.945 57.175 56.287 -0.094 0.000 0.933 920 K CB -0.157 32.333 32.500 -0.017 0.000 0.717 920 K HN 0.386 nan 8.250 nan 0.000 0.442 921 A N 0.919 123.723 122.820 -0.026 0.000 1.902 921 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 921 A C 2.223 179.804 177.584 -0.005 0.000 1.181 921 A CA 2.016 54.051 52.037 -0.003 0.000 0.623 921 A CB -0.641 18.372 19.000 0.022 0.000 0.818 921 A HN 0.283 nan 8.150 nan 0.000 0.443 922 S N -0.675 115.024 115.700 -0.001 0.000 2.368 922 S HA -0.235 4.234 4.470 -0.001 0.000 0.225 922 S C 2.140 176.716 174.600 -0.039 0.000 1.030 922 S CA 1.721 59.934 58.200 0.022 0.000 0.999 922 S CB -0.404 62.855 63.200 0.099 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.281 120.011 119.800 -0.117 0.000 2.124 923 Q HA -0.031 4.308 4.340 -0.001 0.000 0.202 923 Q C 2.364 178.309 176.000 -0.092 0.000 0.977 923 Q CA 1.590 57.328 55.803 -0.109 0.000 0.850 923 Q CB -0.243 28.415 28.738 -0.133 0.000 0.901 923 Q HN 0.499 nan 8.270 nan 0.000 0.429 924 S N 0.683 116.340 115.700 -0.072 0.000 2.447 924 S HA -0.035 4.434 4.470 -0.001 0.000 0.233 924 S C 1.829 176.369 174.600 -0.099 0.000 1.006 924 S CA 0.712 58.867 58.200 -0.074 0.000 0.957 924 S CB 0.011 63.187 63.200 -0.040 0.000 0.773 924 S HN 0.276 nan 8.310 nan 0.000 0.507 925 L N 0.207 121.380 121.223 -0.084 0.000 2.127 925 L HA 0.121 4.460 4.340 -0.001 0.000 0.203 925 L C 1.985 178.765 176.870 -0.151 0.000 1.080 925 L CA 0.886 55.668 54.840 -0.096 0.000 0.768 925 L CB -0.321 41.706 42.059 -0.054 0.000 0.924 925 L HN 0.268 nan 8.230 nan 0.000 0.444 926 L N -1.271 119.867 121.223 -0.143 0.000 2.249 926 L HA 0.046 4.386 4.340 -0.001 0.000 0.207 926 L C 0.142 176.844 176.870 -0.280 0.000 1.090 926 L CA 0.718 55.451 54.840 -0.179 0.000 0.802 926 L CB 0.145 42.133 42.059 -0.118 0.000 0.947 926 L HN 0.195 nan 8.230 nan 0.000 0.453 927 D N 0.475 120.705 120.400 -0.284 0.000 2.656 927 D HA 0.228 4.868 4.640 -0.001 0.000 0.303 927 D C -2.377 173.681 176.300 -0.404 0.000 1.199 927 D CA -0.999 52.763 54.000 -0.397 0.000 0.797 927 D CB 1.397 42.162 40.800 -0.059 0.000 1.170 927 D HN 0.037 nan 8.370 nan 0.000 0.509 928 P HA 0.106 nan 4.420 nan 0.000 0.273 928 P C 0.570 177.728 177.300 -0.237 0.000 1.250 928 P CA -0.477 62.435 63.100 -0.313 0.000 0.793 928 P CB 1.496 33.014 31.700 -0.303 0.000 1.011 929 L N 0.858 122.013 121.223 -0.114 0.000 2.485 929 L HA 0.077 4.416 4.340 -0.001 0.000 0.275 929 L C 0.865 177.747 176.870 0.020 0.000 1.207 929 L CA 0.481 55.310 54.840 -0.017 0.000 0.855 929 L CB -0.344 41.720 42.059 0.008 0.000 1.114 929 L HN 0.273 nan 8.230 nan 0.000 0.485 930 D N 3.528 124.029 120.400 0.169 0.000 2.177 930 D HA 0.309 4.948 4.640 -0.001 0.000 0.247 930 D C -0.367 176.000 176.300 0.111 0.000 1.063 930 D CA -0.370 53.722 54.000 0.154 0.000 0.867 930 D CB 1.726 42.709 40.800 0.303 0.000 1.168 930 D HN 0.382 nan 8.370 nan 0.000 0.445 931 K N 1.621 121.974 120.400 -0.078 0.000 2.244 931 K HA 0.467 4.786 4.320 -0.001 0.000 0.260 931 K C -0.927 175.643 176.600 -0.050 0.000 0.951 931 K CA -0.636 55.706 56.287 0.093 0.000 0.826 931 K CB 1.489 33.991 32.500 0.004 0.000 1.108 931 K HN 0.234 nan 8.250 nan 0.000 0.433 932 F N 2.640 122.800 119.950 0.350 0.000 2.520 932 F HA 0.485 5.011 4.527 -0.001 0.000 0.322 932 F C 0.026 176.122 175.800 0.494 0.000 1.103 932 F CA -0.890 57.303 58.000 0.321 0.000 0.926 932 F CB 1.255 40.272 39.000 0.027 0.000 1.154 932 F HN 0.202 nan 8.300 nan 0.000 0.453 933 I N 3.574 124.533 120.570 0.649 0.000 2.362 933 I HA 0.220 4.390 4.170 -0.001 0.000 0.289 933 I C -0.578 175.833 176.117 0.490 0.000 0.994 933 I CA -0.832 60.775 61.300 0.512 0.000 1.158 933 I CB 1.256 39.455 38.000 0.331 0.000 1.315 933 I HN 0.437 nan 8.210 nan 0.000 0.451 934 F N 5.765 125.885 119.950 0.284 0.000 2.538 934 F HA 0.220 4.747 4.527 -0.001 0.000 0.371 934 F C 1.197 176.921 175.800 -0.126 0.000 1.087 934 F CA 0.105 57.977 58.000 -0.213 0.000 1.250 934 F CB 1.216 40.117 39.000 -0.164 0.000 1.110 934 F HN 0.607 nan 8.300 nan 0.000 0.570 935 A N 4.317 126.576 122.820 -0.934 0.000 1.930 935 A HA 0.046 4.366 4.320 -0.001 0.000 0.215 935 A C 1.086 178.412 177.584 -0.429 0.000 1.176 935 A CA 0.681 52.388 52.037 -0.551 0.000 0.632 935 A CB -0.327 18.314 19.000 -0.598 0.000 0.819 935 A HN 0.676 nan 8.150 nan 0.000 0.445 936 E N -0.300 119.493 120.200 -0.678 0.000 2.330 936 E HA 0.178 4.528 4.350 -0.001 0.000 0.256 936 E C 0.276 176.995 176.600 0.199 0.000 1.146 936 E CA -0.635 55.681 56.400 -0.139 0.000 0.945 936 E CB 0.119 29.788 29.700 -0.051 0.000 1.182 936 E HN 0.217 nan 8.360 nan 0.000 0.480 937 N N 0.570 119.394 118.700 0.207 0.000 2.216 937 N HA -0.100 4.640 4.740 -0.001 0.000 0.183 937 N C 0.027 175.696 175.510 0.265 0.000 1.017 937 N CA 0.926 54.105 53.050 0.215 0.000 0.861 937 N CB 0.303 38.870 38.487 0.133 0.000 0.986 937 N HN 0.437 nan 8.380 nan 0.000 0.428 938 E N -0.793 119.588 120.200 0.302 0.000 2.275 938 E HA 0.115 4.465 4.350 -0.001 0.000 0.270 938 E C -1.544 175.162 176.600 0.176 0.000 0.882 938 E CA -0.700 55.803 56.400 0.171 0.000 0.758 938 E CB 1.236 31.000 29.700 0.106 0.000 1.195 938 E HN 0.009 nan 8.360 nan 0.000 0.419 939 W N 8.074 129.074 121.300 -0.501 0.000 2.295 939 W HA 0.392 5.052 4.660 -0.001 0.000 0.333 939 W C -1.213 175.122 176.519 -0.307 0.000 0.990 939 W CA -1.408 55.521 57.345 -0.694 0.000 1.453 939 W CB -0.047 28.492 29.460 -1.535 0.000 1.263 939 W HN 0.449 nan 8.180 nan 0.000 0.380 940 I N 6.184 126.864 120.570 0.184 0.000 2.496 940 I HA 0.205 4.374 4.170 -0.001 0.000 0.285 940 I C 1.468 177.568 176.117 -0.028 0.000 1.080 940 I CA 0.942 62.266 61.300 0.039 0.000 1.404 940 I CB 0.434 38.484 38.000 0.084 0.000 1.403 940 I HN 0.791 nan 8.210 nan 0.000 0.539 941 G N 4.423 113.121 108.800 -0.170 0.000 2.136 941 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.242 941 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.242 941 G C 0.404 175.052 174.900 -0.419 0.000 0.989 941 G CA -0.031 44.948 45.100 -0.202 0.000 0.682 941 G HN 0.992 nan 8.290 nan 0.000 0.522 942 A N -0.437 121.882 122.820 -0.835 0.000 2.511 942 A HA 0.580 4.900 4.320 -0.001 0.000 0.242 942 A C 0.572 177.736 177.584 -0.699 0.000 1.069 942 A CA 0.758 51.950 52.037 -1.409 0.000 0.763 942 A CB 0.267 18.098 19.000 -1.949 0.000 1.001 942 A HN 0.637 nan 8.150 nan 0.000 0.498 943 Q N 0.732 120.202 119.800 -0.549 0.000 2.351 943 Q HA 0.532 4.871 4.340 -0.001 0.000 0.273 943 Q C 1.086 176.971 176.000 -0.191 0.000 1.077 943 Q CA -0.216 55.426 55.803 -0.268 0.000 0.843 943 Q CB 1.885 30.534 28.738 -0.148 0.000 1.367 943 Q HN 0.789 nan 8.270 nan 0.000 0.449 944 G N 0.045 108.769 108.800 -0.126 0.000 2.683 944 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.213 944 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.213 944 G C 0.155 175.028 174.900 -0.045 0.000 1.142 944 G CA 0.515 45.554 45.100 -0.102 0.000 0.793 944 G HN 0.433 nan 8.290 nan 0.000 0.534 945 Q N -1.346 118.446 119.800 -0.014 0.000 2.527 945 Q HA 0.515 4.854 4.340 -0.001 0.000 0.280 945 Q C -2.378 173.649 176.000 0.044 0.000 0.977 945 Q CA -0.913 54.899 55.803 0.015 0.000 0.837 945 Q CB 2.188 30.920 28.738 -0.009 0.000 1.454 945 Q HN 0.051 nan 8.270 nan 0.000 0.387 946 F N 1.248 121.112 119.950 -0.143 0.000 2.569 946 F HA 0.646 5.173 4.527 -0.001 0.000 0.312 946 F C 0.520 176.076 175.800 -0.407 0.000 1.109 946 F CA 0.463 58.311 58.000 -0.253 0.000 0.919 946 F CB 2.086 40.946 39.000 -0.234 0.000 1.211 946 F HN 0.676 nan 8.300 nan 0.000 0.446 947 G N 3.041 110.829 108.800 -1.687 0.000 2.141 947 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.242 947 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.242 947 G C 1.028 175.256 174.900 -1.119 0.000 0.982 947 G CA 0.282 44.123 45.100 -2.098 0.000 0.662 947 G HN 1.576 nan 8.290 nan 0.000 0.527 948 G N 1.108 109.550 108.800 -0.598 0.000 2.479 948 G HA2 0.008 3.967 3.960 -0.001 0.000 0.220 948 G HA3 0.008 3.967 3.960 -0.001 0.000 0.220 948 G C 1.228 176.070 174.900 -0.098 0.000 1.115 948 G CA 1.760 46.743 45.100 -0.194 0.000 0.757 948 G HN 0.840 nan 8.290 nan 0.000 0.560 949 D N -0.808 119.448 120.400 -0.239 0.000 2.349 949 D HA 0.021 4.661 4.640 -0.001 0.000 0.214 949 D C 0.329 176.629 176.300 -0.000 0.000 1.063 949 D CA -0.469 53.483 54.000 -0.080 0.000 0.847 949 D CB -0.877 39.884 40.800 -0.065 0.000 0.933 949 D HN 0.456 nan 8.370 nan 0.000 0.513 950 H N 1.083 120.051 119.070 -0.169 0.000 2.764 950 H HA 0.240 4.796 4.556 -0.001 0.000 0.341 950 H C -1.988 173.312 175.328 -0.047 0.000 1.072 950 H CA -1.806 54.165 56.048 -0.128 0.000 1.444 950 H CB 0.647 30.282 29.762 -0.212 0.000 1.458 950 H HN -0.014 nan 8.280 nan 0.000 0.572 951 P HA -0.064 nan 4.420 nan 0.000 0.265 951 P C -0.570 176.798 177.300 0.114 0.000 1.193 951 P CA 0.123 63.287 63.100 0.106 0.000 0.765 951 P CB 0.706 32.447 31.700 0.067 0.000 0.823 952 S N 2.342 118.146 115.700 0.172 0.000 2.464 952 S HA 0.564 5.034 4.470 -0.001 0.000 0.313 952 S C 0.053 174.763 174.600 0.183 0.000 1.078 952 S CA -0.588 57.741 58.200 0.216 0.000 1.096 952 S CB -0.717 62.729 63.200 0.411 0.000 1.032 952 S HN 0.496 nan 8.310 nan 0.000 0.498 953 A N 4.777 127.694 122.820 0.161 0.000 2.332 953 A HA 0.506 4.825 4.320 -0.001 0.000 0.258 953 A C 0.527 178.175 177.584 0.108 0.000 1.087 953 A CA -0.737 51.373 52.037 0.121 0.000 0.802 953 A CB 0.175 19.244 19.000 0.114 0.000 1.042 953 A HN 0.964 nan 8.150 nan 0.000 0.489 954 R N 0.718 121.250 120.500 0.055 0.000 2.619 954 R HA -0.052 4.287 4.340 -0.001 0.000 0.268 954 R C 0.608 176.912 176.300 0.008 0.000 0.990 954 R CA 0.855 56.959 56.100 0.008 0.000 1.092 954 R CB 0.067 30.360 30.300 -0.012 0.000 0.935 954 R HN 0.891 nan 8.270 nan 0.000 0.415 955 E N 1.595 121.760 120.200 -0.058 0.000 2.204 955 E HA -0.241 4.108 4.350 -0.001 0.000 0.195 955 E C 0.323 176.941 176.600 0.031 0.000 0.990 955 E CA 1.486 57.832 56.400 -0.090 0.000 0.821 955 E CB -0.127 29.496 29.700 -0.129 0.000 0.750 955 E HN 0.849 nan 8.360 nan 0.000 0.477 956 D N 0.681 121.064 120.400 -0.028 0.000 2.349 956 D HA -0.015 4.625 4.640 -0.001 0.000 0.224 956 D C 0.397 176.688 176.300 -0.015 0.000 1.029 956 D CA -0.064 53.881 54.000 -0.092 0.000 0.879 956 D CB -0.035 40.656 40.800 -0.182 0.000 0.906 956 D HN 0.183 nan 8.370 nan 0.000 0.528 957 L N 0.726 121.988 121.223 0.064 0.000 2.309 957 L HA 0.526 4.865 4.340 -0.001 0.000 0.282 957 L C -1.146 175.845 176.870 0.201 0.000 1.036 957 L CA -0.481 54.417 54.840 0.095 0.000 0.806 957 L CB 1.706 43.809 42.059 0.075 0.000 1.220 957 L HN -0.223 nan 8.230 nan 0.000 0.429 958 D N 2.362 122.902 120.400 0.234 0.000 2.671 958 D HA 0.368 5.007 4.640 -0.001 0.000 0.232 958 D C -1.313 175.143 176.300 0.260 0.000 1.114 958 D CA -0.263 53.898 54.000 0.269 0.000 0.858 958 D CB 2.427 43.432 40.800 0.341 0.000 1.544 958 D HN 0.242 nan 8.370 nan 0.000 0.471 959 V N 3.466 123.512 119.914 0.219 0.000 2.267 959 V HA 0.124 4.243 4.120 -0.001 0.000 0.254 959 V C 1.306 177.533 176.094 0.222 0.000 1.144 959 V CA -0.019 62.422 62.300 0.236 0.000 0.992 959 V CB 0.422 32.371 31.823 0.210 0.000 1.199 959 V HN 0.579 nan 8.190 nan 0.000 0.493 960 S N 3.080 118.940 115.700 0.268 0.000 2.382 960 S HA -0.010 4.459 4.470 -0.001 0.000 0.228 960 S C 0.673 175.329 174.600 0.094 0.000 1.027 960 S CA 0.845 59.158 58.200 0.189 0.000 0.991 960 S CB 0.174 63.547 63.200 0.287 0.000 0.823 960 S HN 0.497 nan 8.310 nan 0.000 0.469 961 V N 1.592 121.602 119.914 0.159 0.000 2.686 961 V HA 0.527 4.647 4.120 -0.001 0.000 0.306 961 V C -0.753 175.415 176.094 0.124 0.000 1.065 961 V CA -0.545 61.826 62.300 0.118 0.000 0.894 961 V CB 1.869 33.789 31.823 0.162 0.000 1.004 961 V HN 0.371 nan 8.190 nan 0.000 0.424 962 M N 5.811 125.406 119.600 -0.009 0.000 2.197 962 M HA 0.689 5.169 4.480 -0.001 0.000 0.301 962 M C -1.048 175.088 176.300 -0.273 0.000 0.987 962 M CA -0.505 54.657 55.300 -0.230 0.000 0.921 962 M CB 1.468 33.941 32.600 -0.213 0.000 1.569 962 M HN 0.769 nan 8.290 nan 0.000 0.431 963 R N 4.192 124.461 120.500 -0.385 0.000 2.522 963 R HA 0.448 4.788 4.340 -0.001 0.000 0.283 963 R C -1.504 174.570 176.300 -0.376 0.000 1.074 963 R CA -0.715 55.210 56.100 -0.291 0.000 0.925 963 R CB 1.899 32.112 30.300 -0.146 0.000 1.205 963 R HN 0.911 nan 8.270 nan 0.000 0.436 964 R N 4.400 124.735 120.500 -0.275 0.000 2.442 964 R HA 0.146 4.486 4.340 -0.001 0.000 0.291 964 R C 0.215 176.406 176.300 -0.181 0.000 1.069 964 R CA 0.049 56.014 56.100 -0.225 0.000 1.022 964 R CB 0.629 30.853 30.300 -0.127 0.000 0.976 964 R HN 0.724 nan 8.270 nan 0.000 0.443 965 L N 2.946 124.055 121.223 -0.190 0.000 2.616 965 L HA 0.144 4.483 4.340 -0.001 0.000 0.229 965 L C 0.310 177.128 176.870 -0.086 0.000 1.110 965 L CA 0.063 54.811 54.840 -0.153 0.000 0.884 965 L CB 0.435 42.369 42.059 -0.207 0.000 1.115 965 L HN 0.710 nan 8.230 nan 0.000 0.481 966 T N -2.592 111.922 114.554 -0.066 0.000 2.887 966 T HA 0.462 4.812 4.350 -0.001 0.000 0.288 966 T C -0.262 174.431 174.700 -0.013 0.000 1.021 966 T CA -0.924 61.155 62.100 -0.035 0.000 1.000 966 T CB 2.441 71.294 68.868 -0.025 0.000 1.034 966 T HN -0.082 nan 8.240 nan 0.000 0.467 967 K N 0.853 121.251 120.400 -0.003 0.000 2.117 967 K HA 0.363 4.683 4.320 -0.001 0.000 0.240 967 K C 1.623 178.237 176.600 0.023 0.000 1.031 967 K CA -0.370 55.927 56.287 0.016 0.000 0.909 967 K CB 0.583 33.090 32.500 0.011 0.000 1.097 967 K HN 0.782 nan 8.250 nan 0.000 0.492 968 S N -0.590 115.133 115.700 0.037 0.000 2.442 968 S HA -0.153 4.316 4.470 -0.001 0.000 0.236 968 S C 1.779 176.394 174.600 0.024 0.000 1.007 968 S CA 1.458 59.679 58.200 0.035 0.000 0.965 968 S CB -0.404 62.824 63.200 0.046 0.000 0.773 968 S HN 0.631 nan 8.310 nan 0.000 0.504 969 S N 1.637 117.349 115.700 0.020 0.000 2.522 969 S HA 0.414 4.883 4.470 -0.001 0.000 0.227 969 S C 0.835 175.441 174.600 0.010 0.000 0.986 969 S CA 0.079 58.288 58.200 0.016 0.000 0.929 969 S CB -0.631 62.578 63.200 0.015 0.000 0.769 969 S HN 0.769 nan 8.310 nan 0.000 0.529 970 A N 2.027 124.851 122.820 0.007 0.000 2.451 970 A HA 0.355 4.675 4.320 -0.001 0.000 0.266 970 A C 1.156 178.745 177.584 0.008 0.000 1.119 970 A CA -0.519 51.520 52.037 0.003 0.000 0.786 970 A CB 0.203 19.201 19.000 -0.003 0.000 1.061 970 A HN 0.443 nan 8.150 nan 0.000 0.503 971 K N 1.350 121.754 120.400 0.006 0.000 2.032 971 K HA -0.086 4.234 4.320 -0.001 0.000 0.209 971 K C 0.175 176.784 176.600 0.014 0.000 1.048 971 K CA 1.540 57.833 56.287 0.010 0.000 0.927 971 K CB -0.189 32.315 32.500 0.006 0.000 0.712 971 K HN 0.667 nan 8.250 nan 0.000 0.441 972 T N 2.770 117.329 114.554 0.008 0.000 2.738 972 T HA 0.141 4.490 4.350 -0.001 0.000 0.298 972 T C -0.241 174.471 174.700 0.020 0.000 0.962 972 T CA -0.513 61.594 62.100 0.012 0.000 0.972 972 T CB 1.159 70.023 68.868 -0.007 0.000 0.928 972 T HN -0.001 nan 8.240 nan 0.000 0.474 973 Q N 2.761 122.593 119.800 0.052 0.000 2.340 973 Q HA 0.394 4.734 4.340 -0.001 0.000 0.249 973 Q C 0.081 176.133 176.000 0.086 0.000 0.957 973 Q CA 0.035 55.873 55.803 0.057 0.000 0.882 973 Q CB 1.314 30.090 28.738 0.062 0.000 1.235 973 Q HN 0.540 nan 8.270 nan 0.000 0.439 974 R N 0.422 120.939 120.500 0.028 0.000 2.561 974 R HA 0.639 4.979 4.340 -0.001 0.000 0.297 974 R C -1.077 175.174 176.300 -0.082 0.000 0.969 974 R CA -0.605 55.492 56.100 -0.005 0.000 0.879 974 R CB 1.834 32.098 30.300 -0.061 0.000 1.178 974 R HN 0.255 nan 8.270 nan 0.000 0.445 975 V N 1.640 121.499 119.914 -0.092 0.000 2.588 975 V HA 0.610 4.730 4.120 -0.001 0.000 0.304 975 V C 0.176 175.985 176.094 -0.476 0.000 1.042 975 V CA -0.836 61.275 62.300 -0.315 0.000 0.877 975 V CB 2.074 33.716 31.823 -0.300 0.000 0.996 975 V HN 0.939 nan 8.190 nan 0.000 0.425 976 G N 2.908 111.226 108.800 -0.803 0.000 2.371 976 G HA2 0.666 4.626 3.960 -0.001 0.000 0.326 976 G HA3 0.666 4.626 3.960 -0.001 0.000 0.326 976 G C -1.672 172.797 174.900 -0.719 0.000 1.127 976 G CA -0.305 44.165 45.100 -1.050 0.000 0.885 976 G HN 0.505 nan 8.290 nan 0.000 0.477 977 Y N 0.370 120.752 120.300 0.136 0.000 2.425 977 Y HA 0.469 5.018 4.550 -0.001 0.000 0.344 977 Y C -0.119 176.053 175.900 0.454 0.000 0.969 977 Y CA -0.896 57.375 58.100 0.285 0.000 1.052 977 Y CB 2.775 41.368 38.460 0.223 0.000 1.215 977 Y HN 0.339 nan 8.280 nan 0.000 0.451 978 V N 5.229 125.442 119.914 0.498 0.000 2.370 978 V HA 0.392 4.512 4.120 -0.001 0.000 0.283 978 V C -0.381 175.941 176.094 0.380 0.000 1.023 978 V CA -0.756 61.763 62.300 0.365 0.000 0.857 978 V CB 1.216 33.205 31.823 0.276 0.000 0.985 978 V HN 0.586 nan 8.190 nan 0.000 0.443 979 L N 4.800 126.234 121.223 0.352 0.000 2.296 979 L HA 0.576 4.916 4.340 -0.001 0.000 0.286 979 L C -0.700 176.367 176.870 0.329 0.000 1.023 979 L CA -0.616 54.422 54.840 0.331 0.000 0.812 979 L CB 1.487 43.733 42.059 0.312 0.000 1.223 979 L HN 0.693 nan 8.230 nan 0.000 0.421 980 H N 3.551 122.772 119.070 0.251 0.000 2.547 980 H HA 0.445 5.001 4.556 -0.001 0.000 0.342 980 H C -0.988 174.424 175.328 0.140 0.000 1.048 980 H CA -0.607 55.558 56.048 0.195 0.000 1.204 980 H CB 1.458 31.403 29.762 0.304 0.000 1.493 980 H HN 0.478 nan 8.280 nan 0.000 0.511 981 R N 4.196 124.341 120.500 -0.591 0.000 2.343 981 R HA 0.320 4.660 4.340 -0.001 0.000 0.320 981 R C -0.305 175.575 176.300 -0.701 0.000 0.956 981 R CA -0.469 55.364 56.100 -0.446 0.000 0.836 981 R CB 1.176 31.340 30.300 -0.226 0.000 1.151 981 R HN 0.746 nan 8.270 nan 0.000 0.450 982 T N 1.608 115.893 114.554 -0.449 0.000 2.793 982 T HA 0.184 4.534 4.350 -0.001 0.000 0.299 982 T C -0.520 174.004 174.700 -0.293 0.000 1.038 982 T CA -0.449 61.476 62.100 -0.292 0.000 0.948 982 T CB 0.557 69.330 68.868 -0.158 0.000 1.231 982 T HN 0.681 nan 8.240 nan 0.000 0.538 983 N N 0.655 119.208 118.700 -0.245 0.000 2.448 983 N HA 0.460 5.200 4.740 -0.001 0.000 0.279 983 N C -1.435 173.917 175.510 -0.264 0.000 1.025 983 N CA -0.480 52.370 53.050 -0.334 0.000 0.898 983 N CB 0.631 38.771 38.487 -0.578 0.000 1.303 983 N HN 0.467 nan 8.380 nan 0.000 0.495 984 L N 2.645 123.707 121.223 -0.268 0.000 2.331 984 L HA 0.539 4.878 4.340 -0.001 0.000 0.275 984 L C 0.581 177.323 176.870 -0.214 0.000 1.022 984 L CA -1.008 53.706 54.840 -0.210 0.000 0.812 984 L CB 1.488 43.431 42.059 -0.194 0.000 1.257 984 L HN 0.365 nan 8.230 nan 0.000 0.435 985 M N 2.175 121.668 119.600 -0.178 0.000 2.249 985 M HA 0.059 4.538 4.480 -0.001 0.000 0.340 985 M C -0.158 176.051 176.300 -0.152 0.000 1.166 985 M CA 0.058 55.257 55.300 -0.169 0.000 1.115 985 M CB 0.366 32.869 32.600 -0.162 0.000 1.606 985 M HN 0.476 nan 8.290 nan 0.000 0.448 986 Q N 2.094 121.809 119.800 -0.141 0.000 2.314 986 Q HA 0.189 4.529 4.340 -0.001 0.000 0.257 986 Q C -0.096 175.844 176.000 -0.100 0.000 0.975 986 Q CA 0.114 55.848 55.803 -0.115 0.000 0.933 986 Q CB 0.896 29.570 28.738 -0.106 0.000 1.195 986 Q HN 0.794 nan 8.270 nan 0.000 0.426 987 c N 0.554 119.099 118.600 -0.092 0.000 3.115 987 c HA 0.373 4.943 4.570 -0.001 0.000 0.277 987 c C 1.278 175.327 174.090 -0.067 0.000 1.460 987 c CA 0.028 56.308 56.329 -0.082 0.000 1.789 987 c CB -0.308 42.147 42.510 -0.091 0.000 2.674 987 c HN 1.012 nan 8.230 nan 0.000 0.582 988 G N 1.288 110.050 108.800 -0.064 0.000 2.159 988 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.227 988 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.227 988 G C 0.001 174.871 174.900 -0.051 0.000 0.986 988 G CA 0.320 45.389 45.100 -0.053 0.000 0.651 988 G HN 0.440 nan 8.290 nan 0.000 0.523 989 T N 2.169 116.688 114.554 -0.058 0.000 2.729 989 T HA 0.465 4.814 4.350 -0.001 0.000 0.296 989 T C -0.445 174.220 174.700 -0.058 0.000 0.928 989 T CA -0.421 61.645 62.100 -0.055 0.000 1.045 989 T CB 1.780 70.612 68.868 -0.060 0.000 0.902 989 T HN 0.060 nan 8.240 nan 0.000 0.500 990 P HA -0.081 nan 4.420 nan 0.000 0.215 990 P C 0.164 177.424 177.300 -0.067 0.000 1.153 990 P CA 0.461 63.531 63.100 -0.050 0.000 0.853 990 P CB -0.026 31.653 31.700 -0.035 0.000 0.788 991 E N 0.205 120.359 120.200 -0.077 0.000 1.651 991 E HA -0.213 4.137 4.350 -0.001 0.000 0.209 991 E C 0.226 176.741 176.600 -0.143 0.000 1.313 991 E CA 0.334 56.668 56.400 -0.111 0.000 0.660 991 E CB -0.405 29.234 29.700 -0.102 0.000 0.983 991 E HN 0.319 nan 8.360 nan 0.000 0.283 992 E N 0.573 120.662 120.200 -0.185 0.000 2.586 992 E HA 0.246 4.596 4.350 -0.001 0.000 0.232 992 E C -0.589 175.801 176.600 -0.350 0.000 0.854 992 E CA -0.576 55.724 56.400 -0.166 0.000 0.938 992 E CB 0.349 30.023 29.700 -0.044 0.000 1.518 992 E HN 0.593 nan 8.360 nan 0.000 0.400 993 H N -1.073 117.991 119.070 -0.011 0.000 2.500 993 H HA -0.137 4.418 4.556 -0.001 0.000 0.292 993 H C -0.933 174.400 175.328 0.008 0.000 0.829 993 H CA 0.760 56.806 56.048 -0.004 0.000 0.949 993 H CB -2.090 27.669 29.762 -0.006 0.000 1.563 993 H HN 0.327 nan 8.280 nan 0.000 0.297 994 T N 0.791 115.383 114.554 0.063 0.000 2.916 994 T HA 0.589 4.939 4.350 -0.001 0.000 0.292 994 T C -0.059 174.695 174.700 0.089 0.000 1.064 994 T CA -1.233 60.916 62.100 0.082 0.000 1.011 994 T CB 2.138 71.023 68.868 0.027 0.000 1.152 994 T HN 0.720 nan 8.240 nan 0.000 0.510 995 Q N 1.057 120.917 119.800 0.100 0.000 2.259 995 Q HA 0.387 4.726 4.340 -0.001 0.000 0.249 995 Q C -0.237 175.793 176.000 0.051 0.000 0.914 995 Q CA -1.011 54.837 55.803 0.075 0.000 0.904 995 Q CB 0.869 29.661 28.738 0.090 0.000 1.213 995 Q HN 0.296 nan 8.270 nan 0.000 0.428 996 K N 1.771 122.188 120.400 0.027 0.000 2.451 996 K HA 0.069 4.388 4.320 -0.001 0.000 0.280 996 K C -0.592 176.012 176.600 0.006 0.000 1.020 996 K CA -0.153 56.139 56.287 0.009 0.000 1.008 996 K CB 0.251 32.746 32.500 -0.009 0.000 0.917 996 K HN 0.405 nan 8.250 nan 0.000 0.478 997 L N 3.399 124.622 121.223 0.000 0.000 2.257 997 L HA 0.231 4.571 4.340 -0.001 0.000 0.290 997 L C -0.593 176.240 176.870 -0.062 0.000 1.044 997 L CA -0.188 54.642 54.840 -0.016 0.000 0.810 997 L CB 0.940 43.000 42.059 0.002 0.000 1.193 997 L HN 0.420 nan 8.230 nan 0.000 0.425 998 D N 3.532 123.889 120.400 -0.072 0.000 2.460 998 D HA 0.165 4.805 4.640 -0.001 0.000 0.232 998 D C 1.050 177.253 176.300 -0.163 0.000 1.079 998 D CA -0.296 53.639 54.000 -0.109 0.000 0.864 998 D CB 1.247 42.028 40.800 -0.033 0.000 1.048 998 D HN 0.386 nan 8.370 nan 0.000 0.523 999 V N 1.379 121.097 119.914 -0.327 0.000 2.720 999 V HA -0.165 3.954 4.120 -0.001 0.000 0.256 999 V C 2.107 177.887 176.094 -0.524 0.000 1.082 999 V CA 0.999 62.926 62.300 -0.621 0.000 1.101 999 V CB -1.075 30.098 31.823 -1.084 0.000 0.693 999 V HN 0.612 nan 8.190 nan 0.000 0.479 1000 c N 0.578 119.008 118.600 -0.283 0.000 2.437 1000 c HA 0.018 4.588 4.570 -0.001 0.000 0.283 1000 c C 2.127 176.115 174.090 -0.170 0.000 1.424 1000 c CA 1.242 57.475 56.329 -0.160 0.000 1.782 1000 c CB -1.765 40.642 42.510 -0.171 0.000 1.833 1000 c HN 0.766 nan 8.230 nan 0.000 0.532 1001 H N -1.010 118.042 119.070 -0.029 0.000 2.542 1001 H HA 0.262 4.817 4.556 -0.001 0.000 0.283 1001 H C 1.722 177.087 175.328 0.061 0.000 1.059 1001 H CA -0.033 56.037 56.048 0.037 0.000 1.162 1001 H CB 0.067 29.832 29.762 0.006 0.000 1.539 1001 H HN 0.336 nan 8.280 nan 0.000 0.543 1002 L N -0.206 121.080 121.223 0.105 0.000 2.141 1002 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 1002 L C -0.170 176.845 176.870 0.242 0.000 1.094 1002 L CA 0.737 55.665 54.840 0.147 0.000 0.763 1002 L CB 0.098 42.204 42.059 0.079 0.000 0.908 1002 L HN 0.164 nan 8.230 nan 0.000 0.437 1003 L N -0.475 120.847 121.223 0.166 0.000 2.331 1003 L HA 0.412 4.752 4.340 -0.001 0.000 0.275 1003 L C -2.037 174.885 176.870 0.087 0.000 1.022 1003 L CA -1.742 53.124 54.840 0.044 0.000 0.812 1003 L CB 0.820 42.666 42.059 -0.354 0.000 1.257 1003 L HN -0.241 nan 8.230 nan 0.000 0.435 1004 P HA 0.170 nan 4.420 nan 0.000 0.274 1004 P C -0.779 176.641 177.300 0.200 0.000 1.256 1004 P CA -0.311 62.867 63.100 0.130 0.000 0.795 1004 P CB 0.309 32.062 31.700 0.088 0.000 1.038 1005 N N -3.179 115.620 118.700 0.165 0.000 2.758 1005 N HA -0.152 4.588 4.740 -0.001 0.000 0.248 1005 N C 0.005 175.601 175.510 0.143 0.000 1.076 1005 N CA 0.075 53.210 53.050 0.142 0.000 0.696 1005 N CB -1.970 36.589 38.487 0.120 0.000 0.979 1005 N HN 0.259 nan 8.380 nan 0.000 0.550 1006 V N 0.002 119.959 119.914 0.072 0.000 2.585 1006 V HA 0.371 4.490 4.120 -0.001 0.000 0.296 1006 V C 1.206 177.203 176.094 -0.161 0.000 1.035 1006 V CA 1.131 63.298 62.300 -0.221 0.000 1.084 1006 V CB 1.170 32.763 31.823 -0.382 0.000 0.953 1006 V HN 0.438 nan 8.190 nan 0.000 0.483 1007 A N 7.066 129.765 122.820 -0.202 0.000 2.192 1007 A HA 0.482 4.802 4.320 -0.001 0.000 0.208 1007 A C 0.964 178.509 177.584 -0.065 0.000 1.220 1007 A CA 0.042 52.024 52.037 -0.093 0.000 0.900 1007 A CB 0.248 19.209 19.000 -0.065 0.000 0.937 1007 A HN 0.775 nan 8.150 nan 0.000 0.487 1008 R N -1.753 118.680 120.500 -0.111 0.000 2.634 1008 R HA 0.471 4.810 4.340 -0.001 0.000 0.263 1008 R C -2.352 173.922 176.300 -0.043 0.000 1.060 1008 R CA -0.332 55.764 56.100 -0.006 0.000 0.898 1008 R CB 1.426 31.731 30.300 0.008 0.000 1.253 1008 R HN 0.304 nan 8.270 nan 0.000 0.461 1009 c N 2.623 121.253 118.600 0.049 0.000 2.481 1009 c HA 0.618 5.188 4.570 -0.001 0.000 0.324 1009 c C -1.204 172.984 174.090 0.163 0.000 1.170 1009 c CA -0.208 56.153 56.329 0.053 0.000 1.361 1009 c CB 1.290 43.790 42.510 -0.017 0.000 1.977 1009 c HN 0.922 nan 8.230 nan 0.000 0.459 1010 E N 2.891 123.208 120.200 0.195 0.000 2.266 1010 E HA 0.446 4.796 4.350 -0.001 0.000 0.268 1010 E C -0.939 175.834 176.600 0.289 0.000 0.879 1010 E CA -0.620 55.912 56.400 0.219 0.000 0.762 1010 E CB 1.858 31.646 29.700 0.146 0.000 1.199 1010 E HN 0.642 nan 8.360 nan 0.000 0.422 1011 R N 1.442 122.093 120.500 0.252 0.000 2.390 1011 R HA 0.299 4.638 4.340 -0.001 0.000 0.291 1011 R C -0.456 175.869 176.300 0.042 0.000 1.070 1011 R CA 0.141 56.299 56.100 0.097 0.000 1.014 1011 R CB 0.598 30.925 30.300 0.045 0.000 1.007 1011 R HN 0.686 nan 8.270 nan 0.000 0.466 1012 T N -0.286 114.268 114.554 -0.000 0.000 2.907 1012 T HA 0.348 4.697 4.350 -0.001 0.000 0.290 1012 T C 0.132 174.814 174.700 -0.029 0.000 1.066 1012 T CA -0.787 61.336 62.100 0.039 0.000 1.012 1012 T CB 1.399 70.360 68.868 0.156 0.000 1.184 1012 T HN 0.621 nan 8.240 nan 0.000 0.522 1013 T N 0.182 114.723 114.554 -0.023 0.000 2.791 1013 T HA 0.178 4.528 4.350 -0.001 0.000 0.323 1013 T C 1.578 176.199 174.700 -0.132 0.000 1.082 1013 T CA -0.636 61.429 62.100 -0.060 0.000 1.084 1013 T CB -0.079 68.770 68.868 -0.032 0.000 0.992 1013 T HN 0.565 nan 8.240 nan 0.000 0.547 1014 L N 1.054 122.183 121.223 -0.156 0.000 2.362 1014 L HA -0.022 4.317 4.340 -0.001 0.000 0.219 1014 L C 2.848 179.426 176.870 -0.486 0.000 1.134 1014 L CA 1.342 56.022 54.840 -0.267 0.000 0.807 1014 L CB -1.015 40.971 42.059 -0.123 0.000 0.927 1014 L HN 0.982 nan 8.230 nan 0.000 0.447 1015 T N -4.792 109.580 114.554 -0.302 0.000 3.129 1015 T HA 0.000 4.350 4.350 -0.001 0.000 0.251 1015 T C 0.743 175.333 174.700 -0.183 0.000 1.117 1015 T CA -0.183 61.769 62.100 -0.246 0.000 1.034 1015 T CB -0.157 68.690 68.868 -0.035 0.000 0.968 1015 T HN 0.211 nan 8.240 nan 0.000 0.526 1016 F N -0.916 119.045 119.950 0.019 0.000 2.794 1016 F HA -0.187 4.339 4.527 -0.001 0.000 0.335 1016 F C 1.017 176.815 175.800 -0.003 0.000 0.653 1016 F CA -0.086 57.917 58.000 0.005 0.000 1.266 1016 F CB -2.327 36.672 39.000 -0.002 0.000 1.666 1016 F HN 0.240 nan 8.300 nan 0.000 0.314 1017 L N -0.883 120.408 121.223 0.113 0.000 2.529 1017 L HA 0.104 4.443 4.340 -0.001 0.000 0.223 1017 L C 1.077 177.967 176.870 0.033 0.000 1.113 1017 L CA 0.872 55.751 54.840 0.064 0.000 0.861 1017 L CB 0.176 42.257 42.059 0.036 0.000 1.012 1017 L HN 0.340 nan 8.230 nan 0.000 0.461 1018 Q N 0.489 120.309 119.800 0.032 0.000 2.305 1018 Q HA 0.272 4.611 4.340 -0.001 0.000 0.271 1018 Q C -1.213 174.802 176.000 0.025 0.000 1.046 1018 Q CA -0.704 55.107 55.803 0.012 0.000 0.798 1018 Q CB 1.941 30.673 28.738 -0.010 0.000 1.286 1018 Q HN 0.085 nan 8.270 nan 0.000 0.435 1019 N N 4.416 123.129 118.700 0.021 0.000 2.458 1019 N HA 0.191 4.931 4.740 -0.001 0.000 0.270 1019 N C 0.323 175.847 175.510 0.023 0.000 1.102 1019 N CA 0.190 53.259 53.050 0.031 0.000 0.967 1019 N CB 1.119 39.619 38.487 0.021 0.000 1.078 1019 N HN 0.638 nan 8.380 nan 0.000 0.471 1020 L N 0.460 121.701 121.223 0.031 0.000 2.537 1020 L HA 0.299 4.639 4.340 -0.001 0.000 0.224 1020 L C 0.602 177.498 176.870 0.043 0.000 1.065 1020 L CA 0.402 55.255 54.840 0.022 0.000 0.860 1020 L CB 0.343 42.404 42.059 0.003 0.000 1.086 1020 L HN 0.529 nan 8.230 nan 0.000 0.482 1021 E N -0.387 119.858 120.200 0.075 0.000 2.388 1021 E HA 0.120 4.469 4.350 -0.001 0.000 0.289 1021 E C -1.379 175.323 176.600 0.170 0.000 0.944 1021 E CA -0.526 55.937 56.400 0.105 0.000 0.792 1021 E CB 1.506 31.261 29.700 0.093 0.000 1.239 1021 E HN 0.108 nan 8.360 nan 0.000 0.412 1022 H N 5.840 124.935 119.070 0.042 0.000 2.604 1022 H HA 0.350 4.905 4.556 -0.001 0.000 0.306 1022 H C -0.770 174.583 175.328 0.041 0.000 1.075 1022 H CA -0.578 55.493 56.048 0.038 0.000 1.357 1022 H CB 0.734 30.509 29.762 0.021 0.000 1.426 1022 H HN 0.366 nan 8.280 nan 0.000 0.470 1023 L N 5.239 126.433 121.223 -0.049 0.000 2.289 1023 L HA 0.125 4.465 4.340 -0.001 0.000 0.285 1023 L C 0.041 176.793 176.870 -0.197 0.000 1.049 1023 L CA -0.912 53.882 54.840 -0.077 0.000 0.804 1023 L CB 1.229 43.300 42.059 0.020 0.000 1.195 1023 L HN 0.668 nan 8.230 nan 0.000 0.428 1024 D N 2.718 123.032 120.400 -0.143 0.000 2.458 1024 D HA 0.163 4.802 4.640 -0.001 0.000 0.243 1024 D C 1.176 177.431 176.300 -0.075 0.000 1.146 1024 D CA 1.133 55.057 54.000 -0.126 0.000 0.877 1024 D CB 1.285 42.040 40.800 -0.075 0.000 1.176 1024 D HN 0.835 nan 8.370 nan 0.000 0.461 1025 G N 2.835 111.598 108.800 -0.061 0.000 2.168 1025 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.263 1025 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.263 1025 G C 0.787 175.716 174.900 0.048 0.000 0.977 1025 G CA 0.421 45.517 45.100 -0.007 0.000 0.659 1025 G HN 0.629 nan 8.290 nan 0.000 0.533 1026 M N -2.447 117.149 119.600 -0.005 0.000 2.653 1026 M HA -0.183 4.296 4.480 -0.001 0.000 0.203 1026 M C 0.065 176.394 176.300 0.047 0.000 0.502 1026 M CA 0.866 56.162 55.300 -0.007 0.000 0.601 1026 M CB -1.753 30.818 32.600 -0.048 0.000 2.228 1026 M HN 0.236 nan 8.290 nan 0.000 0.711 1027 V N 0.849 120.778 119.914 0.026 0.000 2.370 1027 V HA 0.715 4.835 4.120 -0.001 0.000 0.283 1027 V C 0.605 176.628 176.094 -0.119 0.000 1.023 1027 V CA -0.314 61.990 62.300 0.006 0.000 0.857 1027 V CB 1.760 33.580 31.823 -0.005 0.000 0.985 1027 V HN 0.380 nan 8.190 nan 0.000 0.443 1028 A N 8.160 130.828 122.820 -0.254 0.000 2.310 1028 A HA 0.730 5.050 4.320 -0.001 0.000 0.300 1028 A C -2.413 174.910 177.584 -0.434 0.000 1.269 1028 A CA -1.365 50.300 52.037 -0.620 0.000 0.909 1028 A CB 0.031 18.377 19.000 -1.090 0.000 1.144 1028 A HN 0.625 nan 8.150 nan 0.000 0.540 1029 P HA 0.203 nan 4.420 nan 0.000 0.275 1029 P C -0.140 177.149 177.300 -0.018 0.000 1.228 1029 P CA -0.212 62.844 63.100 -0.073 0.000 0.786 1029 P CB 0.586 32.300 31.700 0.025 0.000 0.927 1030 E N 0.051 120.253 120.200 0.003 0.000 2.392 1030 E HA 0.217 4.566 4.350 -0.001 0.000 0.259 1030 E C 0.143 176.790 176.600 0.078 0.000 1.108 1030 E CA -0.709 55.718 56.400 0.045 0.000 0.916 1030 E CB 0.498 30.207 29.700 0.016 0.000 0.989 1030 E HN 0.299 nan 8.360 nan 0.000 0.432 1031 V N -0.975 118.989 119.914 0.083 0.000 2.997 1031 V HA 0.307 4.426 4.120 -0.001 0.000 0.311 1031 V C 0.205 176.302 176.094 0.004 0.000 1.066 1031 V CA -1.102 61.236 62.300 0.063 0.000 1.039 1031 V CB 1.187 33.053 31.823 0.072 0.000 1.081 1031 V HN 0.736 nan 8.190 nan 0.000 0.467 1032 c N 2.837 121.435 118.600 -0.003 0.000 2.656 1032 c HA 0.409 4.979 4.570 -0.001 0.000 0.391 1032 c C -2.033 172.004 174.090 -0.088 0.000 1.300 1032 c CA -0.276 56.033 56.329 -0.034 0.000 2.302 1032 c CB -0.121 42.385 42.510 -0.006 0.000 2.655 1032 c HN 0.823 nan 8.230 nan 0.000 0.656 1033 P HA 0.033 nan 4.420 nan 0.000 0.262 1033 P C 0.243 177.398 177.300 -0.242 0.000 1.182 1033 P CA 0.954 63.923 63.100 -0.218 0.000 0.761 1033 P CB 0.169 31.721 31.700 -0.248 0.000 0.795 1034 M N -1.032 118.377 119.600 -0.318 0.000 2.943 1034 M HA -0.180 4.299 4.480 -0.001 0.000 0.198 1034 M C -0.172 176.147 176.300 0.032 0.000 0.606 1034 M CA 1.353 56.462 55.300 -0.318 0.000 0.744 1034 M CB -2.092 30.001 32.600 -0.845 0.000 2.671 1034 M HN 0.416 nan 8.290 nan 0.000 0.342 1035 E N 0.343 120.541 120.200 -0.004 0.000 2.222 1035 E HA 0.710 5.060 4.350 -0.001 0.000 0.267 1035 E C 0.027 176.694 176.600 0.112 0.000 0.963 1035 E CA -0.142 56.326 56.400 0.112 0.000 0.837 1035 E CB 1.583 31.315 29.700 0.052 0.000 1.183 1035 E HN 0.128 nan 8.360 nan 0.000 0.403 1036 T N 0.624 115.260 114.554 0.136 0.000 2.881 1036 T HA 0.683 5.032 4.350 -0.001 0.000 0.290 1036 T C -0.832 173.882 174.700 0.022 0.000 1.000 1036 T CA -0.650 61.540 62.100 0.151 0.000 0.978 1036 T CB 1.569 70.534 68.868 0.163 0.000 0.997 1036 T HN 0.509 nan 8.240 nan 0.000 0.443 1037 A N 1.958 124.796 122.820 0.029 0.000 2.469 1037 A HA 0.995 5.315 4.320 -0.001 0.000 0.299 1037 A C -0.928 176.567 177.584 -0.148 0.000 1.098 1037 A CA -0.939 51.023 52.037 -0.126 0.000 0.737 1037 A CB 1.513 20.395 19.000 -0.196 0.000 1.312 1037 A HN 1.098 nan 8.150 nan 0.000 0.414 1038 A N 0.307 122.948 122.820 -0.299 0.000 2.365 1038 A HA 0.831 5.150 4.320 -0.001 0.000 0.318 1038 A C -1.567 175.836 177.584 -0.302 0.000 1.091 1038 A CA -0.353 51.617 52.037 -0.111 0.000 0.763 1038 A CB 0.754 19.722 19.000 -0.053 0.000 1.248 1038 A HN 0.848 nan 8.150 nan 0.000 0.442 1039 Y N -0.005 120.510 120.300 0.358 0.000 2.524 1039 Y HA 0.574 5.123 4.550 -0.001 0.000 0.347 1039 Y C -0.275 175.795 175.900 0.284 0.000 1.005 1039 Y CA -0.888 57.376 58.100 0.273 0.000 1.025 1039 Y CB 2.493 41.074 38.460 0.202 0.000 1.275 1039 Y HN 0.419 nan 8.280 nan 0.000 0.460 1040 V N 2.327 122.437 119.914 0.326 0.000 2.487 1040 V HA 0.501 4.621 4.120 -0.001 0.000 0.298 1040 V C -0.636 175.542 176.094 0.139 0.000 1.028 1040 V CA -0.935 61.452 62.300 0.145 0.000 0.860 1040 V CB 1.755 33.599 31.823 0.035 0.000 0.991 1040 V HN 0.828 nan 8.190 nan 0.000 0.427 1041 S N 3.425 119.213 115.700 0.146 0.000 2.508 1041 S HA 0.715 5.185 4.470 -0.001 0.000 0.284 1041 S C -0.229 174.303 174.600 -0.113 0.000 1.192 1041 S CA -0.587 57.625 58.200 0.020 0.000 1.070 1041 S CB 1.592 64.886 63.200 0.157 0.000 1.004 1041 S HN 0.564 nan 8.310 nan 0.000 0.493 1042 S N 2.449 117.956 115.700 -0.322 0.000 2.472 1042 S HA 0.526 4.996 4.470 -0.001 0.000 0.303 1042 S C -0.895 173.374 174.600 -0.551 0.000 1.099 1042 S CA -0.769 57.272 58.200 -0.265 0.000 1.077 1042 S CB 0.499 63.620 63.200 -0.131 0.000 1.031 1042 S HN 0.785 nan 8.310 nan 0.000 0.487 1043 H N 0.889 119.948 119.070 -0.018 0.000 2.667 1043 H HA 0.291 4.847 4.556 -0.001 0.000 0.353 1043 H C 0.206 175.530 175.328 -0.007 0.000 1.072 1043 H CA -0.562 55.479 56.048 -0.012 0.000 1.214 1043 H CB 1.854 31.612 29.762 -0.007 0.000 1.600 1043 H HN 0.664 nan 8.280 nan 0.000 0.527 1044 S N 1.295 117.045 115.700 0.083 0.000 2.517 1044 S HA 0.039 4.509 4.470 -0.001 0.000 0.214 1044 S C 0.739 175.373 174.600 0.057 0.000 0.991 1044 S CA -0.177 58.053 58.200 0.050 0.000 0.906 1044 S CB 0.206 63.421 63.200 0.026 0.000 0.789 1044 S HN 0.577 nan 8.310 nan 0.000 0.513 1045 S N 0.000 115.748 115.700 0.079 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.236 58.200 0.060 0.000 1.107 1045 S CB 0.000 63.230 63.200 0.050 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517