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 3dx4_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 SWAIDPFGHS 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 0.000 176.009 176.000 0.015 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 31 c N 4.272 122.878 118.600 0.009 0.000 2.611 31 c HA 0.180 4.750 4.570 -0.001 0.000 0.416 31 c C 0.860 174.963 174.090 0.022 0.000 1.366 31 c CA 0.027 56.363 56.329 0.013 0.000 1.761 31 c CB -0.464 42.040 42.510 -0.010 0.000 2.619 31 c HN 0.324 nan 8.230 nan 0.000 0.606 32 Q N 1.770 121.599 119.800 0.049 0.000 2.361 32 Q HA 0.029 4.368 4.340 -0.001 0.000 0.276 32 Q C 0.103 176.134 176.000 0.053 0.000 1.022 32 Q CA 0.426 56.273 55.803 0.074 0.000 0.898 32 Q CB 0.487 29.308 28.738 0.139 0.000 1.246 32 Q HN 0.638 nan 8.270 nan 0.000 0.410 33 D N 1.926 122.359 120.400 0.054 0.000 2.336 33 D HA 0.048 4.688 4.640 -0.001 0.000 0.249 33 D C 0.570 176.917 176.300 0.079 0.000 1.213 33 D CA -0.185 53.830 54.000 0.025 0.000 0.870 33 D CB 1.143 41.959 40.800 0.026 0.000 1.076 33 D HN 0.386 nan 8.370 nan 0.000 0.483 34 V N 2.272 122.185 119.914 -0.002 0.000 3.649 34 V HA 0.059 4.179 4.120 -0.001 0.000 0.275 34 V C 1.155 177.300 176.094 0.083 0.000 1.281 34 V CA 0.180 62.536 62.300 0.093 0.000 1.143 34 V CB 0.140 31.846 31.823 -0.194 0.000 0.892 34 V HN 0.383 nan 8.190 nan 0.000 0.441 35 V N -0.102 119.781 119.914 -0.052 0.000 2.908 35 V HA 0.103 4.222 4.120 -0.001 0.000 0.240 35 V C 2.288 178.385 176.094 0.006 0.000 1.117 35 V CA 1.209 63.441 62.300 -0.112 0.000 1.133 35 V CB 0.028 31.731 31.823 -0.201 0.000 0.857 35 V HN 0.481 nan 8.190 nan 0.000 0.478 36 Q N -0.411 119.431 119.800 0.070 0.000 2.319 36 Q HA 0.128 4.468 4.340 -0.001 0.000 0.209 36 Q C -0.456 175.631 176.000 0.145 0.000 0.884 36 Q CA 0.236 56.093 55.803 0.090 0.000 0.938 36 Q CB 0.679 29.439 28.738 0.037 0.000 1.098 36 Q HN 0.484 nan 8.270 nan 0.000 0.517 37 D N 1.315 121.832 120.400 0.194 0.000 2.460 37 D HA 0.159 4.799 4.640 -0.001 0.000 0.232 37 D C -0.694 175.708 176.300 0.170 0.000 1.079 37 D CA -0.217 53.877 54.000 0.157 0.000 0.864 37 D CB 1.900 42.772 40.800 0.119 0.000 1.048 37 D HN -0.157 nan 8.370 nan 0.000 0.523 38 V N 4.440 124.421 119.914 0.112 0.000 2.446 38 V HA 0.100 4.220 4.120 -0.001 0.000 0.276 38 V C -1.863 174.198 176.094 -0.055 0.000 1.030 38 V CA -1.100 61.177 62.300 -0.038 0.000 1.033 38 V CB 0.184 31.997 31.823 -0.017 0.000 0.993 38 V HN 0.283 nan 8.190 nan 0.000 0.477 39 P HA 0.061 nan 4.420 nan 0.000 0.266 39 P C -0.411 176.857 177.300 -0.053 0.000 1.195 39 P CA -0.084 62.980 63.100 -0.061 0.000 0.768 39 P CB 0.351 31.999 31.700 -0.087 0.000 0.838 40 N N 2.713 121.398 118.700 -0.025 0.000 2.439 40 N HA 0.343 5.082 4.740 -0.001 0.000 0.249 40 N C -1.095 174.405 175.510 -0.016 0.000 1.003 40 N CA -0.479 52.559 53.050 -0.019 0.000 0.942 40 N CB 0.136 38.621 38.487 -0.004 0.000 1.115 40 N HN 0.119 nan 8.380 nan 0.000 0.505 41 V N 0.520 120.417 119.914 -0.028 0.000 2.914 41 V HA 0.527 4.647 4.120 -0.001 0.000 0.314 41 V C 0.546 176.625 176.094 -0.025 0.000 1.084 41 V CA -0.754 61.533 62.300 -0.022 0.000 0.963 41 V CB 2.058 33.858 31.823 -0.039 0.000 1.025 41 V HN 0.433 nan 8.190 nan 0.000 0.432 42 D N 1.163 121.556 120.400 -0.012 0.000 2.144 42 D HA 0.007 4.647 4.640 -0.001 0.000 0.200 42 D C 0.506 176.775 176.300 -0.051 0.000 0.978 42 D CA 1.592 55.581 54.000 -0.018 0.000 0.833 42 D CB 0.460 41.265 40.800 0.008 0.000 0.961 42 D HN 0.429 nan 8.370 nan 0.000 0.470 43 V N 1.463 121.326 119.914 -0.086 0.000 2.525 43 V HA 0.206 4.326 4.120 -0.001 0.000 0.299 43 V C -0.378 175.622 176.094 -0.156 0.000 1.034 43 V CA -0.756 61.464 62.300 -0.135 0.000 0.863 43 V CB 2.412 34.110 31.823 -0.209 0.000 0.999 43 V HN -0.087 nan 8.190 nan 0.000 0.423 44 Q N 4.568 124.287 119.800 -0.134 0.000 2.341 44 Q HA 0.443 4.783 4.340 -0.001 0.000 0.268 44 Q C 0.385 176.292 176.000 -0.155 0.000 1.013 44 Q CA -0.691 55.026 55.803 -0.144 0.000 0.798 44 Q CB 1.905 30.579 28.738 -0.107 0.000 1.253 44 Q HN 0.671 nan 8.270 nan 0.000 0.457 45 M N 3.071 122.533 119.600 -0.229 0.000 2.213 45 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 45 M C 1.579 177.783 176.300 -0.160 0.000 1.062 45 M CA 0.898 56.052 55.300 -0.244 0.000 1.105 45 M CB -0.755 31.569 32.600 -0.461 0.000 1.385 45 M HN 0.567 nan 8.290 nan 0.000 0.417 46 L N 0.668 121.790 121.223 -0.169 0.000 2.056 46 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 46 L C 2.474 179.339 176.870 -0.008 0.000 1.078 46 L CA 1.799 56.571 54.840 -0.113 0.000 0.749 46 L CB -0.627 41.340 42.059 -0.153 0.000 0.901 46 L HN 0.260 nan 8.230 nan 0.000 0.433 47 E N -0.412 119.769 120.200 -0.031 0.000 2.072 47 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 47 E C 2.199 178.812 176.600 0.022 0.000 0.985 47 E CA 1.359 57.754 56.400 -0.009 0.000 0.801 47 E CB -0.281 29.399 29.700 -0.033 0.000 0.750 47 E HN 0.436 nan 8.360 nan 0.000 0.452 48 L N 0.529 121.764 121.223 0.020 0.000 2.012 48 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 48 L C 2.308 179.245 176.870 0.112 0.000 1.073 48 L CA 1.697 56.556 54.840 0.032 0.000 0.748 48 L CB -1.010 41.055 42.059 0.010 0.000 0.891 48 L HN 0.125 nan 8.230 nan 0.000 0.431 49 Y N 0.011 120.315 120.300 0.006 0.000 2.207 49 Y HA -0.279 4.270 4.550 -0.001 0.000 0.287 49 Y C 2.568 178.566 175.900 0.162 0.000 1.156 49 Y CA 1.856 60.049 58.100 0.155 0.000 1.182 49 Y CB -0.666 37.884 38.460 0.149 0.000 0.979 49 Y HN 0.380 nan 8.280 nan 0.000 0.521 50 D N -0.505 120.008 120.400 0.188 0.000 2.178 50 D HA -0.151 4.488 4.640 -0.001 0.000 0.202 50 D C 2.323 178.665 176.300 0.069 0.000 0.974 50 D CA 1.127 55.191 54.000 0.106 0.000 0.841 50 D CB -0.074 40.763 40.800 0.061 0.000 0.953 50 D HN 0.269 nan 8.370 nan 0.000 0.478 51 R N -1.063 119.460 120.500 0.039 0.000 2.140 51 R HA 0.157 4.497 4.340 -0.001 0.000 0.213 51 R C 0.704 176.981 176.300 -0.037 0.000 1.059 51 R CA -0.025 56.073 56.100 -0.004 0.000 1.000 51 R CB 0.070 30.356 30.300 -0.023 0.000 0.910 51 R HN 0.124 nan 8.270 nan 0.000 0.455 52 M N 0.550 120.095 119.600 -0.092 0.000 2.248 52 M HA 0.008 4.488 4.480 -0.001 0.000 0.337 52 M C 0.857 177.094 176.300 -0.104 0.000 1.121 52 M CA 0.231 55.379 55.300 -0.253 0.000 1.155 52 M CB 1.654 33.818 32.600 -0.728 0.000 1.514 52 M HN 0.035 nan 8.290 nan 0.000 0.452 53 S N 1.069 116.698 115.700 -0.118 0.000 2.486 53 S HA 0.153 4.623 4.470 -0.001 0.000 0.220 53 S C 0.232 174.940 174.600 0.180 0.000 1.011 53 S CA -0.101 58.126 58.200 0.046 0.000 0.921 53 S CB -0.035 63.165 63.200 0.000 0.000 0.785 53 S HN 0.736 nan 8.310 nan 0.000 0.517 54 F N 0.997 120.879 119.950 -0.113 0.000 3.057 54 F HA -0.185 4.341 4.527 -0.001 0.000 0.287 54 F C 0.181 175.994 175.800 0.022 0.000 0.834 54 F CA 0.178 58.116 58.000 -0.104 0.000 1.147 54 F CB -1.584 37.330 39.000 -0.144 0.000 1.245 54 F HN -0.010 nan 8.300 nan 0.000 0.509 55 K N 1.175 121.655 120.400 0.134 0.000 2.401 55 K HA 0.150 4.470 4.320 -0.001 0.000 0.278 55 K C 0.287 176.997 176.600 0.184 0.000 1.018 55 K CA -0.066 56.303 56.287 0.137 0.000 0.981 55 K CB 0.551 33.093 32.500 0.069 0.000 0.933 55 K HN 0.088 nan 8.250 nan 0.000 0.477 56 D N 3.464 123.984 120.400 0.199 0.000 2.557 56 D HA 0.174 4.814 4.640 -0.001 0.000 0.236 56 D C -0.316 176.030 176.300 0.076 0.000 1.154 56 D CA -0.544 53.580 54.000 0.207 0.000 0.985 56 D CB -0.589 40.343 40.800 0.220 0.000 1.010 56 D HN 0.470 nan 8.370 nan 0.000 0.516 57 I N -1.402 119.200 120.570 0.054 0.000 2.577 57 I HA 0.487 4.656 4.170 -0.001 0.000 0.305 57 I C 0.143 176.249 176.117 -0.018 0.000 0.986 57 I CA -0.945 60.363 61.300 0.014 0.000 1.189 57 I CB 1.374 39.383 38.000 0.014 0.000 1.355 57 I HN -0.138 nan 8.210 nan 0.000 0.476 58 D N 4.140 124.528 120.400 -0.020 0.000 2.342 58 D HA 0.157 4.796 4.640 -0.001 0.000 0.260 58 D C 1.022 177.307 176.300 -0.024 0.000 1.278 58 D CA 0.129 54.111 54.000 -0.030 0.000 0.910 58 D CB 1.422 42.212 40.800 -0.017 0.000 1.079 58 D HN 0.841 nan 8.370 nan 0.000 0.496 59 G N 2.447 111.216 108.800 -0.053 0.000 2.985 59 G HA2 0.411 4.370 3.960 -0.001 0.000 0.209 59 G HA3 0.411 4.370 3.960 -0.001 0.000 0.209 59 G C 0.902 175.802 174.900 0.000 0.000 1.165 59 G CA 0.387 45.458 45.100 -0.049 0.000 0.776 59 G HN 0.911 nan 8.290 nan 0.000 0.541 60 G N -0.622 108.184 108.800 0.009 0.000 2.464 60 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.216 60 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.216 60 G C 1.191 176.112 174.900 0.036 0.000 1.186 60 G CA 0.707 45.825 45.100 0.030 0.000 1.010 60 G HN 1.106 nan 8.290 nan 0.000 0.585 61 V N -3.553 116.382 119.914 0.034 0.000 2.407 61 V HA 0.081 4.201 4.120 -0.001 0.000 0.248 61 V C 1.470 177.591 176.094 0.044 0.000 1.055 61 V CA 2.412 64.715 62.300 0.004 0.000 1.049 61 V CB -0.574 31.217 31.823 -0.053 0.000 0.662 61 V HN 1.419 nan 8.190 nan 0.000 0.455 62 W N 2.680 123.885 121.300 -0.158 0.000 2.365 62 W HA 0.427 5.086 4.660 -0.001 0.000 0.371 62 W C 1.136 177.613 176.519 -0.070 0.000 1.006 62 W CA -1.724 55.519 57.345 -0.171 0.000 1.528 62 W CB 0.219 29.544 29.460 -0.224 0.000 1.497 62 W HN 0.054 nan 8.180 nan 0.000 0.367 63 K N 2.741 123.232 120.400 0.151 0.000 2.147 63 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 63 K C 0.864 177.384 176.600 -0.133 0.000 1.049 63 K CA 1.427 57.706 56.287 -0.013 0.000 0.936 63 K CB 0.133 32.619 32.500 -0.024 0.000 0.722 63 K HN 0.570 nan 8.250 nan 0.000 0.446 64 Q N -0.719 118.961 119.800 -0.200 0.000 2.188 64 Q HA 0.163 4.503 4.340 -0.001 0.000 0.212 64 Q C 0.782 176.420 176.000 -0.604 0.000 0.846 64 Q CA -0.327 55.335 55.803 -0.234 0.000 0.989 64 Q CB 1.296 30.037 28.738 0.005 0.000 1.114 64 Q HN 0.222 nan 8.270 nan 0.000 0.488 65 G N 0.568 108.579 108.800 -1.314 0.000 3.407 65 G HA2 0.519 4.479 3.960 -0.001 0.000 0.187 65 G HA3 0.519 4.479 3.960 -0.001 0.000 0.187 65 G C -1.381 173.204 174.900 -0.526 0.000 1.262 65 G CA -0.319 43.690 45.100 -1.817 0.000 0.808 65 G HN 0.356 nan 8.290 nan 0.000 0.687 66 W N -1.402 119.605 121.300 -0.488 0.000 2.988 66 W HA 0.639 5.299 4.660 -0.000 0.000 0.355 66 W C -1.432 175.174 176.519 0.145 0.000 1.233 66 W CA -1.159 56.132 57.345 -0.091 0.000 1.176 66 W CB 0.677 30.100 29.460 -0.060 0.000 1.477 66 W HN 0.176 nan 8.180 nan 0.000 0.582 67 N N 2.091 120.943 118.700 0.254 0.000 2.402 67 N HA 0.224 4.964 4.740 -0.001 0.000 0.259 67 N C -0.349 175.295 175.510 0.223 0.000 1.167 67 N CA 0.011 53.163 53.050 0.170 0.000 0.949 67 N CB 0.357 38.945 38.487 0.167 0.000 1.212 67 N HN 0.401 nan 8.380 nan 0.000 0.493 68 I N 2.120 122.727 120.570 0.063 0.000 2.556 68 I HA 0.010 4.180 4.170 -0.001 0.000 0.284 68 I C 0.779 177.056 176.117 0.268 0.000 1.114 68 I CA 0.271 61.676 61.300 0.175 0.000 1.418 68 I CB 0.493 38.541 38.000 0.081 0.000 1.394 68 I HN 0.122 nan 8.210 nan 0.000 0.552 69 K N 6.218 126.814 120.400 0.326 0.000 2.259 69 K HA 0.591 4.911 4.320 -0.001 0.000 0.249 69 K C -1.326 175.447 176.600 0.289 0.000 0.942 69 K CA -0.688 55.725 56.287 0.211 0.000 0.816 69 K CB 2.146 34.736 32.500 0.151 0.000 1.155 69 K HN 0.473 nan 8.250 nan 0.000 0.428 70 Y N -2.022 118.365 120.300 0.145 0.000 2.581 70 Y HA 0.389 4.938 4.550 -0.001 0.000 0.345 70 Y C -0.934 175.033 175.900 0.112 0.000 1.036 70 Y CA -1.545 56.639 58.100 0.141 0.000 1.042 70 Y CB 1.123 39.685 38.460 0.170 0.000 1.289 70 Y HN 0.396 nan 8.280 nan 0.000 0.471 71 D N 4.134 124.668 120.400 0.223 0.000 2.336 71 D HA 0.203 4.842 4.640 -0.001 0.000 0.249 71 D C -1.632 174.818 176.300 0.249 0.000 1.213 71 D CA -2.248 51.831 54.000 0.131 0.000 0.870 71 D CB 1.536 42.391 40.800 0.093 0.000 1.076 71 D HN 0.457 nan 8.370 nan 0.000 0.483 72 P HA -0.105 nan 4.420 nan 0.000 0.221 72 P C 1.440 178.881 177.300 0.235 0.000 1.145 72 P CA 0.646 63.929 63.100 0.306 0.000 0.795 72 P CB 0.325 32.136 31.700 0.185 0.000 0.775 73 L N -0.636 120.673 121.223 0.143 0.000 2.599 73 L HA 0.069 4.409 4.340 -0.001 0.000 0.230 73 L C 2.595 179.501 176.870 0.061 0.000 1.141 73 L CA 0.442 55.342 54.840 0.099 0.000 0.877 73 L CB -0.649 41.447 42.059 0.062 0.000 1.009 73 L HN -0.020 nan 8.230 nan 0.000 0.447 74 K N 0.391 120.809 120.400 0.029 0.000 2.097 74 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 74 K C -0.095 176.352 176.600 -0.256 0.000 1.049 74 K CA 1.095 57.281 56.287 -0.170 0.000 0.933 74 K CB 0.115 32.431 32.500 -0.306 0.000 0.717 74 K HN 0.064 nan 8.250 nan 0.000 0.442 75 Y N 0.933 121.352 120.300 0.199 0.000 2.361 75 Y HA 0.250 4.800 4.550 -0.000 0.000 0.332 75 Y C 0.009 175.986 175.900 0.129 0.000 1.101 75 Y CA -1.067 57.141 58.100 0.180 0.000 1.137 75 Y CB 1.376 39.896 38.460 0.099 0.000 1.207 75 Y HN 0.271 nan 8.280 nan 0.000 0.463 76 N N -0.517 118.334 118.700 0.253 0.000 3.243 76 N HA 0.515 5.255 4.740 -0.001 0.000 0.280 76 N C 0.170 175.698 175.510 0.030 0.000 1.545 76 N CA -0.402 52.718 53.050 0.117 0.000 0.854 76 N CB 0.398 38.940 38.487 0.091 0.000 1.612 76 N HN 0.480 nan 8.380 nan 0.000 0.577 77 A N -0.982 121.759 122.820 -0.133 0.000 1.958 77 A HA -0.228 4.091 4.320 -0.001 0.000 0.221 77 A C 0.983 178.408 177.584 -0.265 0.000 1.178 77 A CA 1.603 53.474 52.037 -0.278 0.000 0.642 77 A CB -1.137 17.568 19.000 -0.491 0.000 0.816 77 A HN 0.716 nan 8.150 nan 0.000 0.453 78 H N -3.103 116.026 119.070 0.100 0.000 2.551 78 H HA 0.175 4.730 4.556 -0.001 0.000 0.271 78 H C -0.294 175.142 175.328 0.181 0.000 0.984 78 H CA 0.721 56.832 56.048 0.105 0.000 1.164 78 H CB 0.066 29.877 29.762 0.082 0.000 1.437 78 H HN 0.746 nan 8.280 nan 0.000 0.550 79 H N 0.604 119.759 119.070 0.141 0.000 2.750 79 H HA 0.290 4.846 4.556 -0.000 0.000 0.261 79 H C -0.781 174.697 175.328 0.251 0.000 1.387 79 H CA -0.452 55.698 56.048 0.171 0.000 1.557 79 H CB 0.280 30.132 29.762 0.150 0.000 1.756 79 H HN -0.051 nan 8.280 nan 0.000 0.580 80 K N 2.246 122.615 120.400 -0.051 0.000 2.098 80 K HA 0.291 4.611 4.320 -0.001 0.000 0.261 80 K C -0.657 175.746 176.600 -0.329 0.000 0.987 80 K CA -1.238 54.987 56.287 -0.103 0.000 0.916 80 K CB 1.683 34.113 32.500 -0.117 0.000 1.039 80 K HN 0.231 nan 8.250 nan 0.000 0.455 81 L N 2.646 123.529 121.223 -0.566 0.000 2.315 81 L HA 0.136 4.476 4.340 -0.001 0.000 0.283 81 L C -0.811 175.775 176.870 -0.474 0.000 1.089 81 L CA 0.354 54.741 54.840 -0.756 0.000 0.833 81 L CB 0.100 41.547 42.059 -1.020 0.000 1.170 81 L HN 0.383 nan 8.230 nan 0.000 0.442 82 K N 4.515 124.667 120.400 -0.413 0.000 2.234 82 K HA 0.525 4.844 4.320 -0.001 0.000 0.277 82 K C -1.134 175.126 176.600 -0.567 0.000 1.038 82 K CA -0.591 55.414 56.287 -0.470 0.000 0.888 82 K CB 1.572 33.850 32.500 -0.369 0.000 1.091 82 K HN 0.393 nan 8.250 nan 0.000 0.467 83 V N 4.721 124.180 119.914 -0.758 0.000 2.448 83 V HA 0.371 4.491 4.120 -0.001 0.000 0.295 83 V C -0.913 174.631 176.094 -0.916 0.000 1.025 83 V CA -0.802 60.999 62.300 -0.831 0.000 0.859 83 V CB 0.668 31.806 31.823 -1.142 0.000 0.988 83 V HN 0.547 nan 8.190 nan 0.000 0.431 84 F N 3.701 123.391 119.950 -0.434 0.000 2.375 84 F HA 0.503 5.029 4.527 -0.001 0.000 0.361 84 F C 0.164 175.779 175.800 -0.309 0.000 1.117 84 F CA -0.713 57.093 58.000 -0.325 0.000 1.037 84 F CB 1.782 40.660 39.000 -0.203 0.000 1.192 84 F HN 0.184 nan 8.300 nan 0.000 0.452 85 V N 5.095 124.965 119.914 -0.072 0.000 2.385 85 V HA 0.291 4.410 4.120 -0.001 0.000 0.269 85 V C -0.191 176.003 176.094 0.166 0.000 1.043 85 V CA -0.613 61.712 62.300 0.043 0.000 0.906 85 V CB 1.221 33.145 31.823 0.168 0.000 0.995 85 V HN 0.427 nan 8.190 nan 0.000 0.467 86 V N 8.420 128.381 119.914 0.078 0.000 2.275 86 V HA 0.310 4.430 4.120 -0.001 0.000 0.272 86 V C -2.349 173.783 176.094 0.064 0.000 1.028 86 V CA -1.922 60.391 62.300 0.021 0.000 0.810 86 V CB 1.390 33.134 31.823 -0.132 0.000 1.043 86 V HN 0.721 nan 8.190 nan 0.000 0.453 87 P HA 0.322 nan 4.420 nan 0.000 0.271 87 P C -0.839 176.466 177.300 0.008 0.000 1.216 87 P CA 0.265 63.355 63.100 -0.018 0.000 0.776 87 P CB 0.362 31.874 31.700 -0.313 0.000 0.881 88 H N -1.187 117.884 119.070 0.002 0.000 2.990 88 H HA 0.794 5.350 4.556 -0.001 0.000 0.336 88 H C -1.506 173.921 175.328 0.165 0.000 1.306 88 H CA -1.116 54.825 56.048 -0.178 0.000 1.118 88 H CB 0.973 30.579 29.762 -0.259 0.000 1.856 88 H HN 0.207 nan 8.280 nan 0.000 0.538 89 S N 0.666 116.376 115.700 0.016 0.000 2.720 89 S HA 0.211 4.681 4.470 -0.001 0.000 0.278 89 S C -1.862 172.673 174.600 -0.109 0.000 1.172 89 S CA -0.672 57.587 58.200 0.098 0.000 1.019 89 S CB 0.228 63.673 63.200 0.409 0.000 1.049 89 S HN 0.854 nan 8.310 nan 0.000 0.483 90 H N 4.408 123.389 119.070 -0.149 0.000 2.864 90 H HA 0.437 4.992 4.556 -0.001 0.000 0.281 90 H C -0.143 174.794 175.328 -0.652 0.000 1.093 90 H CA 0.257 56.132 56.048 -0.288 0.000 1.453 90 H CB 0.258 29.920 29.762 -0.166 0.000 1.462 90 H HN 0.557 nan 8.280 nan 0.000 0.480 91 N N 5.551 123.612 118.700 -1.065 0.000 2.564 91 N HA 0.059 4.799 4.740 -0.001 0.000 0.248 91 N C -1.188 173.886 175.510 -0.727 0.000 0.986 91 N CA -0.611 51.690 53.050 -1.249 0.000 0.921 91 N CB 1.085 39.132 38.487 -0.734 0.000 1.136 91 N HN 0.665 nan 8.380 nan 0.000 0.509 92 D N 2.677 122.680 120.400 -0.663 0.000 2.371 92 D HA 0.101 4.741 4.640 -0.001 0.000 0.256 92 D C -2.060 174.310 176.300 0.116 0.000 1.193 92 D CA -0.877 53.004 54.000 -0.198 0.000 0.881 92 D CB 1.431 42.364 40.800 0.222 0.000 1.143 92 D HN 0.201 nan 8.370 nan 0.000 0.473 93 P HA 0.185 nan 4.420 nan 0.000 0.231 93 P C 0.011 177.495 177.300 0.307 0.000 1.756 93 P CA -0.005 63.103 63.100 0.013 0.000 0.990 93 P CB 0.154 31.739 31.700 -0.191 0.000 1.973 94 G N 0.261 109.414 108.800 0.590 0.000 2.911 94 G HA2 0.019 3.978 3.960 -0.001 0.000 0.686 94 G HA3 0.019 3.978 3.960 -0.001 0.000 0.686 94 G C -1.094 174.331 174.900 0.874 0.000 1.136 94 G CA -0.624 44.853 45.100 0.628 0.000 0.764 94 G HN 0.356 nan 8.290 nan 0.000 0.626 95 W N 2.398 124.040 121.300 0.571 0.000 4.518 95 W HA 0.312 4.971 4.660 -0.001 0.000 0.160 95 W C 0.874 177.581 176.519 0.313 0.000 3.470 95 W CA 0.893 58.544 57.345 0.510 0.000 1.183 95 W CB -0.742 29.100 29.460 0.636 0.000 2.083 95 W HN 0.514 nan 8.180 nan 0.000 0.403 96 I N 2.117 122.697 120.570 0.017 0.000 3.030 96 I HA 0.121 4.291 4.170 -0.001 0.000 0.270 96 I C 0.549 176.552 176.117 -0.191 0.000 1.211 96 I CA 1.117 62.245 61.300 -0.287 0.000 1.479 96 I CB -1.140 36.645 38.000 -0.358 0.000 1.105 96 I HN 0.008 nan 8.210 nan 0.000 0.447 97 Q N 0.249 119.791 119.800 -0.430 0.000 2.445 97 Q HA 0.378 4.717 4.340 -0.001 0.000 0.281 97 Q C 0.177 175.952 176.000 -0.376 0.000 1.101 97 Q CA -0.400 55.092 55.803 -0.518 0.000 0.833 97 Q CB 2.053 30.190 28.738 -1.002 0.000 1.416 97 Q HN 0.262 nan 8.270 nan 0.000 0.451 98 T N -2.383 112.055 114.554 -0.193 0.000 2.788 98 T HA 0.174 4.523 4.350 -0.001 0.000 0.287 98 T C 1.105 175.899 174.700 0.157 0.000 1.007 98 T CA -0.482 61.577 62.100 -0.068 0.000 1.005 98 T CB 0.265 69.120 68.868 -0.021 0.000 1.012 98 T HN 0.509 nan 8.240 nan 0.000 0.530 99 F N 1.236 121.255 119.950 0.115 0.000 2.063 99 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 99 F C 2.462 178.443 175.800 0.301 0.000 1.109 99 F CA 2.462 60.599 58.000 0.228 0.000 1.212 99 F CB -0.364 38.658 39.000 0.037 0.000 0.973 99 F HN 0.775 nan 8.300 nan 0.000 0.480 100 E N 0.317 120.733 120.200 0.360 0.000 2.106 100 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 100 E C 2.026 178.677 176.600 0.085 0.000 0.984 100 E CA 1.675 58.227 56.400 0.254 0.000 0.806 100 E CB -0.272 29.569 29.700 0.235 0.000 0.750 100 E HN 0.620 nan 8.360 nan 0.000 0.458 101 E N -1.067 119.132 120.200 -0.001 0.000 2.047 101 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 101 E C 1.792 178.222 176.600 -0.284 0.000 0.987 101 E CA 1.117 57.376 56.400 -0.236 0.000 0.799 101 E CB -0.226 29.421 29.700 -0.089 0.000 0.752 101 E HN 0.339 nan 8.360 nan 0.000 0.449 102 Y N -0.587 119.686 120.300 -0.045 0.000 2.224 102 Y HA -0.247 4.302 4.550 -0.001 0.000 0.289 102 Y C 2.171 178.006 175.900 -0.110 0.000 1.146 102 Y CA 1.183 59.233 58.100 -0.082 0.000 1.182 102 Y CB -0.695 37.790 38.460 0.042 0.000 0.983 102 Y HN 0.196 nan 8.280 nan 0.000 0.524 103 Y N 0.848 121.151 120.300 0.005 0.000 2.145 103 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 103 Y C 2.287 178.134 175.900 -0.088 0.000 1.145 103 Y CA 1.874 59.927 58.100 -0.078 0.000 1.148 103 Y CB -0.337 38.076 38.460 -0.079 0.000 0.981 103 Y HN 0.045 nan 8.280 nan 0.000 0.507 104 Q N -0.624 119.060 119.800 -0.193 0.000 2.119 104 Q HA -0.161 4.179 4.340 -0.001 0.000 0.201 104 Q C 2.076 178.001 176.000 -0.125 0.000 0.972 104 Q CA 2.166 57.816 55.803 -0.255 0.000 0.847 104 Q CB -0.547 28.068 28.738 -0.204 0.000 0.903 104 Q HN 0.779 nan 8.270 nan 0.000 0.433 105 H N -0.778 118.314 119.070 0.035 0.000 2.497 105 H HA 0.070 4.625 4.556 -0.001 0.000 0.282 105 H C 0.941 176.368 175.328 0.166 0.000 1.003 105 H CA 0.669 56.774 56.048 0.095 0.000 1.307 105 H CB 0.649 30.429 29.762 0.031 0.000 1.437 105 H HN 0.188 nan 8.280 nan 0.000 0.544 106 D N -1.082 119.427 120.400 0.182 0.000 3.081 106 D HA 0.014 4.654 4.640 -0.001 0.000 0.243 106 D C 1.688 178.047 176.300 0.099 0.000 1.388 106 D CA 0.548 54.648 54.000 0.167 0.000 1.245 106 D CB 0.039 40.853 40.800 0.023 0.000 1.319 106 D HN 0.061 nan 8.370 nan 0.000 0.377 107 T N 2.440 116.965 114.554 -0.049 0.000 2.821 107 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 107 T C 1.933 176.459 174.700 -0.291 0.000 1.046 107 T CA 1.351 63.382 62.100 -0.115 0.000 1.139 107 T CB -0.032 68.600 68.868 -0.395 0.000 0.871 107 T HN 0.236 nan 8.240 nan 0.000 0.454 108 K N 0.807 120.850 120.400 -0.595 0.000 2.147 108 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 108 K C 1.912 178.239 176.600 -0.456 0.000 1.049 108 K CA 1.423 57.321 56.287 -0.649 0.000 0.936 108 K CB -0.370 31.529 32.500 -1.001 0.000 0.722 108 K HN 0.397 nan 8.250 nan 0.000 0.446 109 H N 0.990 119.979 119.070 -0.136 0.000 2.395 109 H HA 0.055 4.611 4.556 -0.001 0.000 0.299 109 H C 2.299 177.626 175.328 -0.002 0.000 1.070 109 H CA 1.392 57.422 56.048 -0.032 0.000 1.356 109 H CB -0.151 29.622 29.762 0.018 0.000 1.401 109 H HN 0.193 nan 8.280 nan 0.000 0.524 110 I N 0.760 121.411 120.570 0.135 0.000 2.163 110 I HA -0.273 3.897 4.170 -0.001 0.000 0.243 110 I C 2.431 178.566 176.117 0.031 0.000 1.085 110 I CA 1.120 62.549 61.300 0.215 0.000 1.347 110 I CB -0.259 37.936 38.000 0.325 0.000 1.044 110 I HN 0.093 nan 8.210 nan 0.000 0.408 111 L N -0.475 120.537 121.223 -0.352 0.000 2.093 111 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 111 L C 2.734 179.240 176.870 -0.607 0.000 1.085 111 L CA 1.167 55.553 54.840 -0.757 0.000 0.755 111 L CB -0.518 40.513 42.059 -1.714 0.000 0.904 111 L HN 0.225 nan 8.230 nan 0.000 0.435 112 S N 0.210 115.662 115.700 -0.413 0.000 2.368 112 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 112 S C 1.813 176.376 174.600 -0.061 0.000 1.030 112 S CA 1.592 59.806 58.200 0.023 0.000 0.999 112 S CB -0.173 63.113 63.200 0.144 0.000 0.844 112 S HN 0.444 nan 8.310 nan 0.000 0.459 113 N N 1.536 120.189 118.700 -0.079 0.000 2.331 113 N HA 0.114 4.853 4.740 -0.001 0.000 0.180 113 N C 1.791 176.919 175.510 -0.637 0.000 1.019 113 N CA 1.081 54.005 53.050 -0.212 0.000 0.881 113 N CB -0.743 37.743 38.487 -0.002 0.000 0.972 113 N HN 0.499 nan 8.380 nan 0.000 0.435 114 A N 1.093 123.616 122.820 -0.495 0.000 1.898 114 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 114 A C 2.187 179.469 177.584 -0.503 0.000 1.181 114 A CA 0.872 52.437 52.037 -0.788 0.000 0.620 114 A CB -0.644 18.183 19.000 -0.288 0.000 0.819 114 A HN 0.217 nan 8.150 nan 0.000 0.442 115 L N 0.152 121.236 121.223 -0.232 0.000 2.017 115 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 115 L C 2.466 179.265 176.870 -0.118 0.000 1.073 115 L CA 2.561 57.350 54.840 -0.086 0.000 0.745 115 L CB -0.678 41.407 42.059 0.044 0.000 0.894 115 L HN 0.504 nan 8.230 nan 0.000 0.432 116 R N -1.798 118.602 120.500 -0.166 0.000 2.066 116 R HA -0.238 4.102 4.340 -0.001 0.000 0.232 116 R C 2.420 178.621 176.300 -0.166 0.000 1.131 116 R CA 1.870 57.894 56.100 -0.127 0.000 0.955 116 R CB -0.543 29.686 30.300 -0.117 0.000 0.851 116 R HN 0.552 nan 8.270 nan 0.000 0.432 117 H N 0.145 118.925 119.070 -0.483 0.000 2.357 117 H HA 0.007 4.563 4.556 -0.001 0.000 0.301 117 H C 2.033 177.142 175.328 -0.365 0.000 1.082 117 H CA 1.964 57.707 56.048 -0.510 0.000 1.342 117 H CB 0.010 29.186 29.762 -0.976 0.000 1.389 117 H HN 0.148 nan 8.280 nan 0.000 0.511 118 L N -1.049 119.995 121.223 -0.298 0.000 2.056 118 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 118 L C 2.433 179.256 176.870 -0.079 0.000 1.078 118 L CA 1.512 56.259 54.840 -0.155 0.000 0.749 118 L CB -0.542 41.447 42.059 -0.117 0.000 0.901 118 L HN 0.401 nan 8.230 nan 0.000 0.433 119 H N 0.474 119.461 119.070 -0.138 0.000 2.319 119 H HA -0.214 4.342 4.556 -0.001 0.000 0.297 119 H C 1.662 176.927 175.328 -0.105 0.000 1.097 119 H CA 2.177 58.171 56.048 -0.091 0.000 1.285 119 H CB 0.044 29.761 29.762 -0.075 0.000 1.368 119 H HN 0.230 nan 8.280 nan 0.000 0.495 120 D N -0.350 119.959 120.400 -0.150 0.000 2.347 120 D HA -0.014 4.626 4.640 -0.001 0.000 0.213 120 D C -0.168 176.001 176.300 -0.219 0.000 0.985 120 D CA 0.544 54.417 54.000 -0.211 0.000 0.879 120 D CB 0.043 40.742 40.800 -0.168 0.000 0.919 120 D HN 0.422 nan 8.370 nan 0.000 0.526 121 N N 0.756 119.329 118.700 -0.211 0.000 2.804 121 N HA 0.145 4.884 4.740 -0.001 0.000 0.251 121 N C -2.195 173.281 175.510 -0.057 0.000 1.250 121 N CA -1.060 51.910 53.050 -0.133 0.000 0.820 121 N CB 2.287 40.679 38.487 -0.159 0.000 1.156 121 N HN -0.117 nan 8.380 nan 0.000 0.512 122 P HA -0.095 nan 4.420 nan 0.000 0.221 122 P C 0.940 178.261 177.300 0.035 0.000 1.145 122 P CA 1.191 64.277 63.100 -0.022 0.000 0.795 122 P CB 0.534 32.217 31.700 -0.029 0.000 0.775 123 E N -1.688 118.563 120.200 0.085 0.000 2.442 123 E HA 0.056 4.406 4.350 -0.001 0.000 0.195 123 E C 0.820 177.560 176.600 0.234 0.000 1.030 123 E CA 0.069 56.569 56.400 0.166 0.000 0.869 123 E CB -0.350 29.480 29.700 0.216 0.000 0.857 123 E HN 0.255 nan 8.360 nan 0.000 0.505 124 M N 1.545 121.219 119.600 0.123 0.000 2.243 124 M HA 0.095 4.574 4.480 -0.001 0.000 0.341 124 M C -0.276 176.017 176.300 -0.012 0.000 1.130 124 M CA 0.264 55.538 55.300 -0.042 0.000 1.162 124 M CB 0.471 33.056 32.600 -0.025 0.000 1.497 124 M HN -0.348 nan 8.290 nan 0.000 0.456 125 K N 3.020 123.378 120.400 -0.071 0.000 2.444 125 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 125 K C -1.739 174.911 176.600 0.084 0.000 0.993 125 K CA -0.532 55.773 56.287 0.029 0.000 0.847 125 K CB 2.293 34.833 32.500 0.067 0.000 1.340 125 K HN 0.660 nan 8.250 nan 0.000 0.446 126 F N 1.408 121.285 119.950 -0.122 0.000 2.672 126 F HA 0.427 4.953 4.527 -0.001 0.000 0.311 126 F C -1.492 174.211 175.800 -0.163 0.000 1.113 126 F CA -1.220 56.696 58.000 -0.141 0.000 0.996 126 F CB 1.017 40.014 39.000 -0.005 0.000 1.286 126 F HN 0.451 nan 8.300 nan 0.000 0.441 127 I N 1.747 121.993 120.570 -0.540 0.000 2.648 127 I HA 0.614 4.784 4.170 -0.001 0.000 0.304 127 I C -1.716 173.987 176.117 -0.689 0.000 1.009 127 I CA -0.618 60.328 61.300 -0.591 0.000 1.114 127 I CB 2.524 40.112 38.000 -0.686 0.000 1.293 127 I HN 0.692 nan 8.210 nan 0.000 0.449 128 W N 4.409 125.333 121.300 -0.628 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.750 175.700 176.519 -0.115 0.000 1.087 128 W CA -0.535 56.572 57.345 -0.397 0.000 1.235 128 W CB 2.685 31.971 29.460 -0.289 0.000 1.399 128 W HN 0.790 nan 8.180 nan 0.000 0.480 129 A N 3.447 125.900 122.820 -0.613 0.000 1.984 129 A HA 0.158 4.478 4.320 -0.001 0.000 0.203 129 A C -0.019 177.518 177.584 -0.077 0.000 1.292 129 A CA 0.531 52.445 52.037 -0.206 0.000 0.782 129 A CB -0.010 18.924 19.000 -0.110 0.000 0.924 129 A HN 0.505 nan 8.150 nan 0.000 0.475 130 E N 0.934 120.978 120.200 -0.261 0.000 2.001 130 E HA 0.318 4.668 4.350 -0.001 0.000 0.279 130 E C 0.405 177.176 176.600 0.286 0.000 1.045 130 E CA -0.283 56.138 56.400 0.033 0.000 0.833 130 E CB 0.835 30.548 29.700 0.021 0.000 1.077 130 E HN 0.271 nan 8.360 nan 0.000 0.397 131 I N 1.571 122.209 120.570 0.112 0.000 2.761 131 I HA -0.182 3.988 4.170 -0.001 0.000 0.261 131 I C 1.931 177.733 176.117 -0.525 0.000 1.198 131 I CA 0.865 62.167 61.300 0.004 0.000 1.482 131 I CB -1.333 36.717 38.000 0.083 0.000 1.100 131 I HN 0.416 nan 8.210 nan 0.000 0.445 132 S N 1.091 116.165 115.700 -1.042 0.000 2.365 132 S HA -0.262 4.208 4.470 -0.001 0.000 0.225 132 S C 2.134 176.413 174.600 -0.535 0.000 1.039 132 S CA 1.289 58.444 58.200 -1.743 0.000 1.033 132 S CB -0.989 61.229 63.200 -1.636 0.000 0.887 132 S HN 0.358 nan 8.310 nan 0.000 0.447 133 Y N 0.637 120.940 120.300 0.005 0.000 2.184 133 Y HA 0.132 4.681 4.550 -0.001 0.000 0.290 133 Y C 2.241 178.202 175.900 0.102 0.000 1.129 133 Y CA 0.390 58.595 58.100 0.176 0.000 1.144 133 Y CB -0.995 37.672 38.460 0.346 0.000 0.995 133 Y HN 0.323 nan 8.280 nan 0.000 0.513 134 F N 0.103 120.148 119.950 0.159 0.000 2.134 134 F HA -0.203 4.324 4.527 -0.001 0.000 0.299 134 F C 2.355 178.023 175.800 -0.221 0.000 1.097 134 F CA 1.364 59.344 58.000 -0.033 0.000 1.264 134 F CB -0.495 38.480 39.000 -0.041 0.000 1.001 134 F HN -0.012 nan 8.300 nan 0.000 0.479 135 A N 0.192 122.685 122.820 -0.545 0.000 1.902 135 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 135 A C 2.164 179.603 177.584 -0.242 0.000 1.181 135 A CA 1.851 53.358 52.037 -0.883 0.000 0.623 135 A CB -0.786 17.508 19.000 -1.176 0.000 0.818 135 A HN 0.426 nan 8.150 nan 0.000 0.443 136 R N -1.151 119.249 120.500 -0.168 0.000 2.073 136 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 136 R C 1.830 178.109 176.300 -0.035 0.000 1.134 136 R CA 2.045 58.069 56.100 -0.127 0.000 0.952 136 R CB -0.827 29.330 30.300 -0.238 0.000 0.850 136 R HN 0.453 nan 8.270 nan 0.000 0.433 137 F N -0.030 119.862 119.950 -0.096 0.000 2.075 137 F HA -0.189 4.337 4.527 -0.001 0.000 0.297 137 F C 1.988 177.740 175.800 -0.081 0.000 1.113 137 F CA 1.827 59.827 58.000 -0.001 0.000 1.218 137 F CB -0.836 38.086 39.000 -0.129 0.000 0.984 137 F HN 0.153 nan 8.300 nan 0.000 0.472 138 Y N 0.104 120.225 120.300 -0.298 0.000 2.181 138 Y HA -0.280 4.270 4.550 -0.001 0.000 0.288 138 Y C 2.996 178.811 175.900 -0.142 0.000 1.146 138 Y CA 2.338 60.296 58.100 -0.236 0.000 1.164 138 Y CB -1.025 37.501 38.460 0.110 0.000 0.982 138 Y HN 0.291 nan 8.280 nan 0.000 0.515 139 H N -0.242 118.818 119.070 -0.017 0.000 2.319 139 H HA -0.180 4.376 4.556 -0.001 0.000 0.297 139 H C 1.071 176.280 175.328 -0.198 0.000 1.097 139 H CA 2.119 58.122 56.048 -0.075 0.000 1.285 139 H CB -0.171 29.588 29.762 -0.005 0.000 1.368 139 H HN 0.367 nan 8.280 nan 0.000 0.495 140 D N 0.578 120.842 120.400 -0.227 0.000 2.348 140 D HA 0.056 4.696 4.640 -0.001 0.000 0.216 140 D C 0.582 176.652 176.300 -0.383 0.000 0.970 140 D CA 0.117 53.960 54.000 -0.262 0.000 0.889 140 D CB -0.022 40.714 40.800 -0.107 0.000 0.912 140 D HN 0.288 nan 8.370 nan 0.000 0.524 141 L N 0.571 121.473 121.223 -0.536 0.000 2.426 141 L HA 0.262 4.601 4.340 -0.001 0.000 0.271 141 L C 1.435 178.074 176.870 -0.385 0.000 1.169 141 L CA -0.581 53.949 54.840 -0.517 0.000 0.836 141 L CB 0.802 42.480 42.059 -0.634 0.000 1.112 141 L HN -0.016 nan 8.230 nan 0.000 0.465 142 G N 1.043 109.675 108.800 -0.279 0.000 2.664 142 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.242 142 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.242 142 G C 0.675 175.452 174.900 -0.205 0.000 1.225 142 G CA -0.269 44.706 45.100 -0.208 0.000 0.849 142 G HN 0.819 nan 8.290 nan 0.000 0.581 143 E N 0.425 120.535 120.200 -0.150 0.000 2.110 143 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 143 E C 2.230 178.778 176.600 -0.087 0.000 0.988 143 E CA 1.931 58.262 56.400 -0.115 0.000 0.804 143 E CB -0.231 29.428 29.700 -0.069 0.000 0.745 143 E HN 0.704 nan 8.360 nan 0.000 0.458 144 N N -0.333 118.319 118.700 -0.081 0.000 2.084 144 N HA -0.145 4.595 4.740 -0.001 0.000 0.190 144 N C 1.557 177.023 175.510 -0.073 0.000 1.030 144 N CA 1.146 54.158 53.050 -0.064 0.000 0.849 144 N CB -0.024 38.424 38.487 -0.065 0.000 1.012 144 N HN -0.003 nan 8.380 nan 0.000 0.423 145 K N 1.507 121.843 120.400 -0.106 0.000 2.097 145 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 145 K C 1.735 178.291 176.600 -0.074 0.000 1.050 145 K CA 0.858 57.083 56.287 -0.103 0.000 0.938 145 K CB -0.149 32.269 32.500 -0.136 0.000 0.718 145 K HN 0.265 nan 8.250 nan 0.000 0.442 146 K N 0.884 121.192 120.400 -0.154 0.000 2.044 146 K HA -0.107 4.212 4.320 -0.001 0.000 0.210 146 K C 2.289 178.970 176.600 0.134 0.000 1.049 146 K CA 1.253 57.467 56.287 -0.122 0.000 0.927 146 K CB -0.268 32.050 32.500 -0.303 0.000 0.713 146 K HN 0.049 nan 8.250 nan 0.000 0.443 147 L N 1.091 122.356 121.223 0.070 0.000 2.046 147 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 147 L C 2.617 179.551 176.870 0.108 0.000 1.077 147 L CA 1.308 56.207 54.840 0.099 0.000 0.747 147 L CB -0.457 41.633 42.059 0.053 0.000 0.896 147 L HN 0.269 nan 8.230 nan 0.000 0.432 148 Q N -0.808 119.030 119.800 0.063 0.000 2.096 148 Q HA -0.287 4.053 4.340 -0.001 0.000 0.204 148 Q C 2.220 178.306 176.000 0.144 0.000 0.982 148 Q CA 1.872 57.714 55.803 0.065 0.000 0.850 148 Q CB -0.256 28.445 28.738 -0.061 0.000 0.901 148 Q HN 0.378 nan 8.270 nan 0.000 0.422 149 M N 1.174 120.893 119.600 0.199 0.000 2.086 149 M HA -0.145 4.335 4.480 -0.001 0.000 0.261 149 M C 1.626 178.125 176.300 0.332 0.000 1.067 149 M CA 1.752 57.245 55.300 0.321 0.000 1.116 149 M CB 0.020 32.914 32.600 0.489 0.000 1.348 149 M HN -0.088 nan 8.290 nan 0.000 0.407 150 K N -1.049 119.545 120.400 0.324 0.000 2.152 150 K HA -0.135 4.184 4.320 -0.001 0.000 0.206 150 K C 2.277 178.984 176.600 0.178 0.000 1.048 150 K CA 1.545 57.986 56.287 0.256 0.000 0.933 150 K CB -0.413 32.222 32.500 0.224 0.000 0.721 150 K HN 0.393 nan 8.250 nan 0.000 0.447 151 S N 1.451 117.245 115.700 0.157 0.000 2.368 151 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 151 S C 1.949 176.613 174.600 0.107 0.000 1.029 151 S CA 1.064 59.335 58.200 0.119 0.000 0.988 151 S CB -0.210 63.061 63.200 0.117 0.000 0.838 151 S HN 0.391 nan 8.310 nan 0.000 0.462 152 I N -0.774 119.870 120.570 0.124 0.000 2.676 152 I HA 0.033 4.202 4.170 -0.001 0.000 0.259 152 I C 1.857 178.015 176.117 0.068 0.000 1.194 152 I CA 0.723 62.078 61.300 0.090 0.000 1.473 152 I CB -0.400 37.654 38.000 0.090 0.000 1.096 152 I HN 0.088 nan 8.210 nan 0.000 0.443 153 V N 1.552 121.526 119.914 0.100 0.000 2.323 153 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 153 V C 2.720 178.855 176.094 0.067 0.000 1.041 153 V CA 2.075 64.420 62.300 0.076 0.000 1.025 153 V CB -0.763 31.167 31.823 0.178 0.000 0.656 153 V HN 0.426 nan 8.190 nan 0.000 0.451 154 K N 1.360 121.809 120.400 0.082 0.000 2.103 154 K HA -0.229 4.091 4.320 -0.001 0.000 0.207 154 K C 1.799 178.422 176.600 0.038 0.000 1.048 154 K CA 1.841 58.163 56.287 0.058 0.000 0.930 154 K CB -0.226 32.310 32.500 0.061 0.000 0.716 154 K HN 0.667 nan 8.250 nan 0.000 0.444 155 N N -0.543 118.179 118.700 0.038 0.000 2.461 155 N HA -0.016 4.723 4.740 -0.001 0.000 0.188 155 N C 0.855 176.374 175.510 0.015 0.000 1.134 155 N CA 1.162 54.227 53.050 0.025 0.000 0.878 155 N CB 0.376 38.879 38.487 0.026 0.000 0.972 155 N HN 0.325 nan 8.380 nan 0.000 0.456 156 G N -0.315 108.491 108.800 0.009 0.000 2.157 156 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.248 156 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.248 156 G C 0.781 175.673 174.900 -0.013 0.000 0.979 156 G CA 0.470 45.565 45.100 -0.009 0.000 0.650 156 G HN 0.461 nan 8.290 nan 0.000 0.529 157 Q N -1.298 118.502 119.800 -0.000 0.000 2.096 157 Q HA 0.238 4.577 4.340 -0.001 0.000 0.197 157 Q C 1.182 177.181 176.000 -0.002 0.000 0.964 157 Q CA 1.012 56.820 55.803 0.009 0.000 0.838 157 Q CB 0.208 28.956 28.738 0.017 0.000 0.906 157 Q HN 0.579 nan 8.270 nan 0.000 0.444 158 L N 1.210 122.413 121.223 -0.033 0.000 2.272 158 L HA 0.296 4.635 4.340 -0.001 0.000 0.289 158 L C -0.942 175.761 176.870 -0.278 0.000 1.032 158 L CA -0.051 54.723 54.840 -0.109 0.000 0.810 158 L CB 1.462 43.469 42.059 -0.087 0.000 1.205 158 L HN -0.072 nan 8.230 nan 0.000 0.422 159 E N 4.211 124.206 120.200 -0.341 0.000 2.210 159 E HA 0.360 4.710 4.350 -0.001 0.000 0.266 159 E C -1.469 174.861 176.600 -0.449 0.000 0.883 159 E CA -0.749 55.452 56.400 -0.332 0.000 0.761 159 E CB 1.000 30.587 29.700 -0.188 0.000 1.156 159 E HN 0.499 nan 8.360 nan 0.000 0.412 160 F N 3.066 122.975 119.950 -0.068 0.000 2.412 160 F HA 0.223 4.749 4.527 -0.001 0.000 0.348 160 F C 0.297 176.069 175.800 -0.046 0.000 1.102 160 F CA -0.492 57.480 58.000 -0.048 0.000 1.196 160 F CB 1.217 40.201 39.000 -0.028 0.000 1.144 160 F HN 0.182 nan 8.300 nan 0.000 0.541 161 V N -0.075 119.907 119.914 0.113 0.000 2.495 161 V HA 0.645 4.765 4.120 -0.001 0.000 0.298 161 V C 0.226 176.449 176.094 0.216 0.000 1.031 161 V CA -0.537 61.821 62.300 0.096 0.000 0.871 161 V CB 0.890 32.657 31.823 -0.093 0.000 0.988 161 V HN 0.977 nan 8.190 nan 0.000 0.432 162 T N 3.219 117.974 114.554 0.336 0.000 12.940 162 T HA -0.309 4.041 4.350 -0.001 0.000 0.419 162 T C 1.735 176.666 174.700 0.386 0.000 1.444 162 T CA 2.899 65.246 62.100 0.412 0.000 2.373 162 T CB -1.680 67.334 68.868 0.242 0.000 2.821 162 T HN 2.792 nan 8.240 nan 0.000 0.696 163 G N 1.895 110.860 108.800 0.275 0.000 2.136 163 G HA2 0.113 4.072 3.960 -0.001 0.000 0.242 163 G HA3 0.113 4.072 3.960 -0.001 0.000 0.242 163 G C 0.293 175.335 174.900 0.237 0.000 0.989 163 G CA 0.573 45.811 45.100 0.230 0.000 0.682 163 G HN 1.558 nan 8.290 nan 0.000 0.522 164 G N -1.637 107.302 108.800 0.232 0.000 2.572 164 G HA2 0.368 4.328 3.960 -0.001 0.000 0.261 164 G HA3 0.368 4.328 3.960 -0.001 0.000 0.261 164 G C 0.971 176.047 174.900 0.293 0.000 1.197 164 G CA 0.156 45.403 45.100 0.245 0.000 0.870 164 G HN 0.350 nan 8.290 nan 0.000 0.548 165 W N 0.511 121.856 121.300 0.076 0.000 2.331 165 W HA -0.045 4.614 4.660 -0.001 0.000 0.291 165 W C 0.644 177.196 176.519 0.054 0.000 1.214 165 W CA 1.896 59.270 57.345 0.049 0.000 1.228 165 W CB 0.246 29.716 29.460 0.017 0.000 1.135 165 W HN 0.405 nan 8.180 nan 0.000 0.537 166 V N -2.778 117.257 119.914 0.203 0.000 3.165 166 V HA 0.493 4.613 4.120 -0.001 0.000 0.309 166 V C -0.473 175.714 176.094 0.155 0.000 1.267 166 V CA -1.295 61.075 62.300 0.116 0.000 1.067 166 V CB 1.744 33.657 31.823 0.151 0.000 1.082 166 V HN -0.062 nan 8.190 nan 0.000 0.451 167 M N 3.971 123.693 119.600 0.204 0.000 2.152 167 M HA 0.518 4.997 4.480 -0.001 0.000 0.354 167 M C -2.692 173.771 176.300 0.273 0.000 1.173 167 M CA -1.866 53.569 55.300 0.225 0.000 1.110 167 M CB 1.388 34.144 32.600 0.260 0.000 1.366 167 M HN 0.639 nan 8.290 nan 0.000 0.415 168 P HA 0.124 nan 4.420 nan 0.000 0.274 168 P C -0.934 176.380 177.300 0.023 0.000 1.231 168 P CA -0.186 62.969 63.100 0.091 0.000 0.790 168 P CB 0.558 32.298 31.700 0.067 0.000 0.951 169 D N 0.781 121.155 120.400 -0.043 0.000 2.478 169 D HA -0.089 4.551 4.640 -0.001 0.000 0.234 169 D C 0.698 177.014 176.300 0.027 0.000 1.154 169 D CA 0.747 54.706 54.000 -0.068 0.000 0.874 169 D CB 0.435 41.208 40.800 -0.045 0.000 1.198 169 D HN 0.312 nan 8.370 nan 0.000 0.455 170 E N 1.428 121.688 120.200 0.101 0.000 2.526 170 E HA 0.191 4.540 4.350 -0.001 0.000 0.208 170 E C 0.847 177.627 176.600 0.300 0.000 0.997 170 E CA 0.024 56.548 56.400 0.207 0.000 0.961 170 E CB 0.686 30.527 29.700 0.234 0.000 1.030 170 E HN 0.472 nan 8.360 nan 0.000 0.483 171 A N 1.442 124.388 122.820 0.210 0.000 1.901 171 A HA 0.028 4.348 4.320 -0.001 0.000 0.210 171 A C 1.808 179.274 177.584 -0.196 0.000 1.208 171 A CA 0.546 52.470 52.037 -0.189 0.000 0.644 171 A CB 0.055 18.914 19.000 -0.235 0.000 0.863 171 A HN 0.030 nan 8.150 nan 0.000 0.454 172 N N 0.670 119.346 118.700 -0.039 0.000 2.356 172 N HA 0.015 4.755 4.740 -0.001 0.000 0.178 172 N C 0.373 175.872 175.510 -0.018 0.000 1.075 172 N CA 0.730 53.752 53.050 -0.047 0.000 0.889 172 N CB 0.118 38.623 38.487 0.031 0.000 0.999 172 N HN 0.496 nan 8.380 nan 0.000 0.464 173 S N 0.718 116.419 115.700 0.001 0.000 2.564 173 S HA 0.045 4.515 4.470 -0.001 0.000 0.278 173 S C 0.013 174.628 174.600 0.025 0.000 1.333 173 S CA -0.570 57.644 58.200 0.022 0.000 1.048 173 S CB 1.178 64.395 63.200 0.028 0.000 0.900 173 S HN 0.201 nan 8.310 nan 0.000 0.505 174 H N 3.431 122.479 119.070 -0.035 0.000 2.582 174 H HA 0.044 4.599 4.556 -0.001 0.000 0.345 174 H C 1.252 176.552 175.328 -0.046 0.000 1.104 174 H CA -0.271 55.741 56.048 -0.059 0.000 1.390 174 H CB 0.538 30.215 29.762 -0.143 0.000 1.461 174 H HN 1.031 nan 8.280 nan 0.000 0.551 175 W N 5.785 126.991 121.300 -0.156 0.000 2.331 175 W HA -0.179 4.480 4.660 -0.001 0.000 0.291 175 W C 1.061 177.652 176.519 0.119 0.000 1.214 175 W CA 0.426 57.757 57.345 -0.022 0.000 1.228 175 W CB -0.477 28.911 29.460 -0.120 0.000 1.135 175 W HN 0.533 nan 8.180 nan 0.000 0.537 176 R N 0.787 120.926 120.500 -0.601 0.000 2.096 176 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 176 R C 1.995 178.130 176.300 -0.274 0.000 1.127 176 R CA 1.880 57.519 56.100 -0.767 0.000 0.968 176 R CB -0.405 29.378 30.300 -0.862 0.000 0.861 176 R HN 0.150 nan 8.270 nan 0.000 0.440 177 N N -0.248 118.377 118.700 -0.125 0.000 2.376 177 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 177 N C 1.704 177.218 175.510 0.008 0.000 1.024 177 N CA 0.662 53.681 53.050 -0.053 0.000 0.893 177 N CB 0.033 38.508 38.487 -0.020 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.461 121.404 119.914 0.047 0.000 2.295 178 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 178 V C 2.333 178.472 176.094 0.075 0.000 1.049 178 V CA 1.100 63.446 62.300 0.076 0.000 1.024 178 V CB -0.489 31.398 31.823 0.108 0.000 0.648 178 V HN 0.194 nan 8.190 nan 0.000 0.447 179 L N -0.307 120.971 121.223 0.091 0.000 2.083 179 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 179 L C 2.167 179.049 176.870 0.019 0.000 1.083 179 L CA 1.787 56.673 54.840 0.077 0.000 0.752 179 L CB -0.684 41.455 42.059 0.133 0.000 0.899 179 L HN 0.282 nan 8.230 nan 0.000 0.433 180 L N -0.076 121.137 121.223 -0.017 0.000 2.012 180 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 180 L C 2.585 179.446 176.870 -0.016 0.000 1.073 180 L CA 2.336 57.154 54.840 -0.036 0.000 0.748 180 L CB -0.771 41.248 42.059 -0.068 0.000 0.891 180 L HN 0.679 nan 8.230 nan 0.000 0.431 181 Q N -1.040 118.773 119.800 0.022 0.000 2.123 181 Q HA -0.194 4.146 4.340 -0.001 0.000 0.199 181 Q C 2.035 178.117 176.000 0.136 0.000 0.966 181 Q CA 2.005 57.856 55.803 0.080 0.000 0.845 181 Q CB -1.177 27.645 28.738 0.140 0.000 0.907 181 Q HN 0.455 nan 8.270 nan 0.000 0.439 182 L N 0.860 122.149 121.223 0.110 0.000 2.046 182 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 182 L C 1.941 178.890 176.870 0.131 0.000 1.077 182 L CA 2.461 57.379 54.840 0.130 0.000 0.747 182 L CB -0.993 41.121 42.059 0.092 0.000 0.896 182 L HN 0.347 nan 8.230 nan 0.000 0.432 183 T N -1.098 113.501 114.554 0.076 0.000 2.821 183 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 183 T C 1.714 176.463 174.700 0.082 0.000 1.046 183 T CA 1.346 63.484 62.100 0.062 0.000 1.139 183 T CB -0.120 68.756 68.868 0.014 0.000 0.871 183 T HN 0.330 nan 8.240 nan 0.000 0.454 184 E N 1.048 121.271 120.200 0.038 0.000 2.051 184 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 184 E C 2.349 179.060 176.600 0.185 0.000 0.991 184 E CA 1.557 57.937 56.400 -0.034 0.000 0.799 184 E CB -0.864 28.635 29.700 -0.335 0.000 0.748 184 E HN 0.433 nan 8.360 nan 0.000 0.449 185 G N -0.059 108.947 108.800 0.344 0.000 2.402 185 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 185 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 185 G C 1.504 176.617 174.900 0.356 0.000 1.162 185 G CA 0.723 46.111 45.100 0.479 0.000 0.777 185 G HN 0.270 nan 8.290 nan 0.000 0.539 186 Q N -0.199 119.749 119.800 0.247 0.000 2.172 186 Q HA -0.064 4.276 4.340 -0.001 0.000 0.200 186 Q C 2.815 178.911 176.000 0.160 0.000 0.964 186 Q CA 1.470 57.380 55.803 0.179 0.000 0.855 186 Q CB -0.224 28.602 28.738 0.147 0.000 0.918 186 Q HN 0.418 nan 8.270 nan 0.000 0.444 187 T N 0.135 114.792 114.554 0.172 0.000 2.746 187 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 187 T C 1.080 175.877 174.700 0.161 0.000 1.039 187 T CA 1.073 63.250 62.100 0.129 0.000 1.142 187 T CB -0.362 68.576 68.868 0.116 0.000 0.866 187 T HN 0.473 nan 8.240 nan 0.000 0.444 188 W N 1.551 122.939 121.300 0.147 0.000 2.355 188 W HA -0.018 4.642 4.660 -0.001 0.000 0.309 188 W C 1.780 178.416 176.519 0.194 0.000 1.206 188 W CA 0.869 58.379 57.345 0.275 0.000 1.284 188 W CB -0.410 29.270 29.460 0.366 0.000 1.145 188 W HN 0.141 nan 8.180 nan 0.000 0.502 189 L N 0.610 122.043 121.223 0.351 0.000 2.083 189 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 189 L C 2.575 179.378 176.870 -0.113 0.000 1.083 189 L CA 1.799 56.674 54.840 0.057 0.000 0.752 189 L CB -0.906 41.130 42.059 -0.037 0.000 0.899 189 L HN -0.021 nan 8.230 nan 0.000 0.433 190 K N 0.045 120.398 120.400 -0.078 0.000 2.057 190 K HA -0.266 4.054 4.320 -0.001 0.000 0.207 190 K C 2.197 178.657 176.600 -0.233 0.000 1.049 190 K CA 1.639 57.855 56.287 -0.118 0.000 0.931 190 K CB -0.021 32.435 32.500 -0.073 0.000 0.714 190 K HN 0.255 nan 8.250 nan 0.000 0.440 191 Q N -0.839 118.744 119.800 -0.362 0.000 2.049 191 Q HA -0.130 4.209 4.340 -0.001 0.000 0.198 191 Q C 1.522 177.023 176.000 -0.830 0.000 0.971 191 Q CA 1.640 57.064 55.803 -0.632 0.000 0.833 191 Q CB 0.036 28.256 28.738 -0.863 0.000 0.896 191 Q HN 0.313 nan 8.270 nan 0.000 0.434 192 F N -1.293 118.281 119.950 -0.625 0.000 2.582 192 F HA 0.125 4.652 4.527 -0.001 0.000 0.290 192 F C 1.839 177.356 175.800 -0.471 0.000 1.115 192 F CA 0.346 57.933 58.000 -0.689 0.000 1.445 192 F CB 0.327 38.505 39.000 -1.369 0.000 1.126 192 F HN 0.111 nan 8.300 nan 0.000 0.574 193 M N -0.883 118.568 119.600 -0.248 0.000 2.331 193 M HA 0.188 4.667 4.480 -0.001 0.000 0.266 193 M C 0.296 176.576 176.300 -0.033 0.000 1.055 193 M CA 0.290 55.545 55.300 -0.075 0.000 1.048 193 M CB -0.840 31.740 32.600 -0.033 0.000 1.460 193 M HN 0.103 nan 8.290 nan 0.000 0.519 194 N N 1.768 120.413 118.700 -0.091 0.000 2.727 194 N HA -0.138 4.602 4.740 -0.001 0.000 0.249 194 N C -0.971 174.523 175.510 -0.026 0.000 1.048 194 N CA 0.729 53.741 53.050 -0.063 0.000 0.714 194 N CB -0.927 37.535 38.487 -0.041 0.000 0.959 194 N HN 0.324 nan 8.380 nan 0.000 0.544 195 V N -3.751 116.149 119.914 -0.022 0.000 3.049 195 V HA 0.868 4.988 4.120 -0.001 0.000 0.309 195 V C -0.013 176.070 176.094 -0.018 0.000 1.148 195 V CA -0.485 61.817 62.300 0.003 0.000 0.990 195 V CB 2.363 34.234 31.823 0.081 0.000 1.039 195 V HN 0.057 nan 8.190 nan 0.000 0.430 196 T N 4.076 118.609 114.554 -0.036 0.000 2.930 196 T HA 0.583 4.933 4.350 -0.001 0.000 0.313 196 T C -2.759 171.861 174.700 -0.135 0.000 1.019 196 T CA -0.803 61.256 62.100 -0.068 0.000 1.004 196 T CB 1.376 70.194 68.868 -0.084 0.000 0.987 196 T HN 0.769 nan 8.240 nan 0.000 0.456 197 P HA 0.174 nan 4.420 nan 0.000 0.266 197 P C 0.836 177.751 177.300 -0.643 0.000 1.195 197 P CA -0.180 62.801 63.100 -0.197 0.000 0.768 197 P CB 0.521 32.218 31.700 -0.005 0.000 0.838 198 T N -1.616 112.618 114.554 -0.533 0.000 3.040 198 T HA 0.538 4.887 4.350 -0.001 0.000 0.266 198 T C 0.364 174.877 174.700 -0.311 0.000 1.005 198 T CA -0.303 61.361 62.100 -0.726 0.000 0.906 198 T CB 0.138 68.791 68.868 -0.359 0.000 1.082 198 T HN 0.408 nan 8.240 nan 0.000 0.531 199 A N 0.845 123.639 122.820 -0.043 0.000 2.355 199 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 199 A C -0.155 177.693 177.584 0.441 0.000 1.094 199 A CA -0.702 51.462 52.037 0.213 0.000 0.764 199 A CB 1.802 20.944 19.000 0.237 0.000 1.230 199 A HN 0.258 nan 8.150 nan 0.000 0.448 200 S N 2.047 117.998 115.700 0.417 0.000 2.549 200 S HA 0.685 5.154 4.470 -0.001 0.000 0.297 200 S C -1.164 173.625 174.600 0.314 0.000 1.115 200 S CA -0.433 57.955 58.200 0.313 0.000 1.059 200 S CB 0.780 63.993 63.200 0.020 0.000 1.046 200 S HN 0.802 nan 8.310 nan 0.000 0.506 201 W N 4.491 125.807 121.300 0.027 0.000 2.587 201 W HA 0.629 5.288 4.660 -0.001 0.000 0.324 201 W C -1.481 174.985 176.519 -0.088 0.000 1.008 201 W CA -0.819 56.493 57.345 -0.055 0.000 1.265 201 W CB 1.140 30.540 29.460 -0.100 0.000 1.328 201 W HN 0.784 nan 8.180 nan 0.000 0.432 202 A N 7.852 130.506 122.820 -0.277 0.000 2.893 202 A HA 0.282 4.601 4.320 -0.001 0.000 0.333 202 A C 0.345 177.674 177.584 -0.425 0.000 1.152 202 A CA -0.474 51.414 52.037 -0.248 0.000 0.782 202 A CB -0.347 18.630 19.000 -0.039 0.000 1.108 202 A HN 0.696 nan 8.150 nan 0.000 0.469 203 I N -2.629 117.497 120.570 -0.740 0.000 3.226 203 I HA 0.226 4.396 4.170 -0.001 0.000 0.277 203 I C 0.872 176.663 176.117 -0.542 0.000 1.243 203 I CA 0.954 61.771 61.300 -0.805 0.000 1.459 203 I CB 0.331 37.541 38.000 -1.317 0.000 1.093 203 I HN 0.329 nan 8.210 nan 0.000 0.453 204 D N 0.370 120.416 120.400 -0.589 0.000 2.489 204 D HA 0.241 4.881 4.640 -0.001 0.000 0.231 204 D C -2.136 173.750 176.300 -0.689 0.000 1.114 204 D CA -0.680 52.977 54.000 -0.571 0.000 0.842 204 D CB 0.011 40.375 40.800 -0.726 0.000 1.133 204 D HN 0.185 nan 8.370 nan 0.000 0.506 205 P HA 0.032 nan 4.420 nan 0.000 0.267 205 P C -0.526 176.319 177.300 -0.758 0.000 1.200 205 P CA 0.075 62.651 63.100 -0.873 0.000 0.772 205 P CB 0.178 31.538 31.700 -0.567 0.000 0.855 206 F N 2.055 121.778 119.950 -0.379 0.000 2.541 206 F HA 0.550 5.076 4.527 -0.001 0.000 0.351 206 F C 1.424 177.158 175.800 -0.110 0.000 1.209 206 F CA -0.617 57.118 58.000 -0.442 0.000 1.277 206 F CB -1.077 37.816 39.000 -0.178 0.000 1.632 206 F HN 0.515 nan 8.300 nan 0.000 0.619 207 G N 1.232 109.767 108.800 -0.441 0.000 2.619 207 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.686 207 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.686 207 G C -1.525 172.988 174.900 -0.645 0.000 1.256 207 G CA -1.166 43.765 45.100 -0.282 0.000 0.826 207 G HN 0.612 nan 8.290 nan 0.000 0.619 208 H N -0.640 118.111 119.070 -0.532 0.000 2.806 208 H HA 0.745 5.300 4.556 -0.001 0.000 0.367 208 H C -0.430 174.769 175.328 -0.215 0.000 1.136 208 H CA 0.035 55.967 56.048 -0.193 0.000 1.178 208 H CB 2.036 31.853 29.762 0.092 0.000 1.718 208 H HN 0.686 nan 8.280 nan 0.000 0.540 209 S N 2.347 118.178 115.700 0.219 0.000 2.501 209 S HA 0.265 4.734 4.470 -0.001 0.000 0.301 209 S C -1.787 172.828 174.600 0.024 0.000 1.096 209 S CA -1.790 56.548 58.200 0.230 0.000 1.063 209 S CB 1.313 64.693 63.200 0.300 0.000 1.042 209 S HN 0.443 nan 8.310 nan 0.000 0.494 210 P HA 0.009 nan 4.420 nan 0.000 0.234 210 P C 1.094 178.127 177.300 -0.445 0.000 1.167 210 P CA 0.758 63.452 63.100 -0.677 0.000 0.763 210 P CB -0.250 31.210 31.700 -0.400 0.000 0.835 211 T N -0.168 114.266 114.554 -0.200 0.000 2.833 211 T HA -0.099 4.251 4.350 -0.001 0.000 0.269 211 T C 1.837 176.487 174.700 -0.083 0.000 1.054 211 T CA 1.205 63.233 62.100 -0.120 0.000 1.135 211 T CB -0.401 68.437 68.868 -0.050 0.000 0.869 211 T HN -0.008 nan 8.240 nan 0.000 0.466 212 M N 0.985 120.497 119.600 -0.147 0.000 2.059 212 M HA -0.013 4.466 4.480 -0.001 0.000 0.259 212 M C -0.610 175.551 176.300 -0.231 0.000 1.072 212 M CA 1.332 56.542 55.300 -0.150 0.000 1.117 212 M CB -2.561 29.975 32.600 -0.106 0.000 1.320 212 M HN 0.135 nan 8.290 nan 0.000 0.408 213 P HA -0.202 nan 4.420 nan 0.000 0.218 213 P C 1.682 178.857 177.300 -0.208 0.000 1.148 213 P CA 1.454 64.364 63.100 -0.318 0.000 0.822 213 P CB -0.452 30.966 31.700 -0.470 0.000 0.784 214 Y N 1.045 121.156 120.300 -0.315 0.000 2.097 214 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 214 Y C 2.406 178.219 175.900 -0.144 0.000 1.152 214 Y CA 1.687 59.665 58.100 -0.203 0.000 1.136 214 Y CB -0.992 37.363 38.460 -0.174 0.000 0.975 214 Y HN -0.233 nan 8.280 nan 0.000 0.498 215 I N -0.476 120.098 120.570 0.006 0.000 2.286 215 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 215 I C 2.261 178.298 176.117 -0.134 0.000 1.104 215 I CA 1.135 62.406 61.300 -0.049 0.000 1.397 215 I CB -0.389 37.650 38.000 0.064 0.000 1.072 215 I HN 0.257 nan 8.210 nan 0.000 0.417 216 L N 0.082 121.179 121.223 -0.209 0.000 2.046 216 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 216 L C 2.684 179.532 176.870 -0.036 0.000 1.077 216 L CA 1.201 55.852 54.840 -0.315 0.000 0.747 216 L CB -0.713 40.963 42.059 -0.640 0.000 0.896 216 L HN 0.336 nan 8.230 nan 0.000 0.432 217 Q N 1.124 120.870 119.800 -0.090 0.000 2.226 217 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 217 Q C 1.666 177.623 176.000 -0.072 0.000 0.975 217 Q CA 1.477 57.249 55.803 -0.051 0.000 0.866 217 Q CB 0.117 28.798 28.738 -0.096 0.000 0.915 217 Q HN 0.468 nan 8.270 nan 0.000 0.440 218 K N -0.438 119.875 120.400 -0.144 0.000 2.444 218 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 218 K C 0.603 177.162 176.600 -0.068 0.000 1.024 218 K CA 0.128 56.325 56.287 -0.150 0.000 1.077 218 K CB 0.514 32.849 32.500 -0.276 0.000 0.833 218 K HN -0.072 nan 8.250 nan 0.000 0.517 219 S N -0.208 115.508 115.700 0.026 0.000 2.741 219 S HA 0.209 4.678 4.470 -0.001 0.000 0.247 219 S C 0.736 175.437 174.600 0.168 0.000 1.050 219 S CA 0.066 58.329 58.200 0.105 0.000 1.025 219 S CB 1.306 64.611 63.200 0.175 0.000 0.897 219 S HN 0.517 nan 8.310 nan 0.000 0.508 220 G N 1.189 110.040 108.800 0.084 0.000 2.176 220 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.253 220 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.253 220 G C -0.017 174.861 174.900 -0.038 0.000 0.979 220 G CA -0.372 44.722 45.100 -0.010 0.000 0.641 220 G HN 0.444 nan 8.290 nan 0.000 0.530 221 F N 0.314 120.223 119.950 -0.069 0.000 2.450 221 F HA 0.583 5.109 4.527 -0.001 0.000 0.339 221 F C 1.596 177.337 175.800 -0.099 0.000 1.146 221 F CA 0.016 57.971 58.000 -0.075 0.000 1.267 221 F CB 0.923 39.883 39.000 -0.068 0.000 1.178 221 F HN -0.192 nan 8.300 nan 0.000 0.585 222 K N 0.645 121.063 120.400 0.029 0.000 2.425 222 K HA 0.255 4.574 4.320 -0.001 0.000 0.201 222 K C -0.399 176.141 176.600 -0.101 0.000 1.128 222 K CA 0.273 56.519 56.287 -0.068 0.000 1.000 222 K CB 0.314 32.724 32.500 -0.150 0.000 0.961 222 K HN 0.525 nan 8.250 nan 0.000 0.555 223 N N 0.748 119.368 118.700 -0.132 0.000 2.484 223 N HA 0.397 5.136 4.740 -0.001 0.000 0.269 223 N C -0.946 174.408 175.510 -0.261 0.000 1.237 223 N CA -0.403 52.402 53.050 -0.409 0.000 0.838 223 N CB 2.547 40.219 38.487 -1.358 0.000 1.593 223 N HN -0.074 nan 8.380 nan 0.000 0.485 224 M N -0.344 119.116 119.600 -0.233 0.000 2.569 224 M HA 0.627 5.107 4.480 -0.001 0.000 0.279 224 M C -1.988 174.373 176.300 0.101 0.000 1.253 224 M CA -0.940 54.351 55.300 -0.015 0.000 0.867 224 M CB 2.895 35.478 32.600 -0.028 0.000 1.727 224 M HN 0.472 nan 8.290 nan 0.000 0.467 225 L N 3.663 124.962 121.223 0.127 0.000 2.386 225 L HA 0.880 5.219 4.340 -0.001 0.000 0.271 225 L C -1.461 175.283 176.870 -0.211 0.000 0.993 225 L CA -0.754 54.117 54.840 0.051 0.000 0.819 225 L CB 2.018 44.151 42.059 0.124 0.000 1.294 225 L HN 0.952 nan 8.230 nan 0.000 0.414 226 I N 0.911 121.269 120.570 -0.353 0.000 3.042 226 I HA 0.617 4.787 4.170 -0.001 0.000 0.310 226 I C -0.737 175.078 176.117 -0.504 0.000 1.117 226 I CA -0.566 60.332 61.300 -0.670 0.000 1.003 226 I CB 2.244 39.566 38.000 -1.130 0.000 1.228 226 I HN 0.733 nan 8.210 nan 0.000 0.443 227 Q N 2.034 121.602 119.800 -0.386 0.000 2.536 227 Q HA 0.337 4.676 4.340 -0.001 0.000 0.212 227 Q C 0.000 175.908 176.000 -0.154 0.000 0.743 227 Q CA 0.425 56.089 55.803 -0.232 0.000 0.929 227 Q CB 0.612 29.210 28.738 -0.232 0.000 1.313 227 Q HN 0.658 nan 8.270 nan 0.000 0.524 228 R N 2.052 122.475 120.500 -0.128 0.000 2.608 228 R HA 0.349 4.688 4.340 -0.001 0.000 0.277 228 R C -0.691 175.352 176.300 -0.427 0.000 1.341 228 R CA 0.559 56.329 56.100 -0.550 0.000 1.199 228 R CB 0.248 29.855 30.300 -1.155 0.000 1.156 228 R HN 0.403 nan 8.270 nan 0.000 0.558 229 T N -2.444 112.094 114.554 -0.026 0.000 2.924 229 T HA 0.144 4.494 4.350 -0.001 0.000 0.291 229 T C -0.011 174.941 174.700 0.419 0.000 1.045 229 T CA -0.896 61.311 62.100 0.179 0.000 1.015 229 T CB 1.774 70.591 68.868 -0.086 0.000 1.103 229 T HN 0.418 nan 8.240 nan 0.000 0.496 230 H N 1.803 121.082 119.070 0.349 0.000 3.064 230 H HA -0.034 4.522 4.556 -0.001 0.000 0.329 230 H C 1.051 176.431 175.328 0.086 0.000 1.020 230 H CA 0.452 56.604 56.048 0.174 0.000 1.402 230 H CB 0.360 30.252 29.762 0.216 0.000 1.379 230 H HN 0.925 nan 8.280 nan 0.000 0.594 231 Y N 2.245 122.635 120.300 0.150 0.000 2.315 231 Y HA -0.164 4.386 4.550 -0.001 0.000 0.288 231 Y C 2.175 178.243 175.900 0.280 0.000 1.154 231 Y CA 0.949 59.176 58.100 0.212 0.000 1.229 231 Y CB -0.611 37.913 38.460 0.106 0.000 0.980 231 Y HN 0.285 nan 8.280 nan 0.000 0.540 232 S N 0.287 116.023 115.700 0.059 0.000 2.387 232 S HA -0.108 4.361 4.470 -0.001 0.000 0.226 232 S C 2.092 176.613 174.600 -0.132 0.000 1.026 232 S CA 1.106 59.233 58.200 -0.122 0.000 0.972 232 S CB -0.531 62.366 63.200 -0.505 0.000 0.814 232 S HN 0.368 nan 8.310 nan 0.000 0.477 233 V N 2.034 121.931 119.914 -0.029 0.000 2.307 233 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 233 V C 2.234 178.364 176.094 0.060 0.000 1.045 233 V CA 1.624 63.938 62.300 0.023 0.000 1.024 233 V CB -0.521 31.420 31.823 0.196 0.000 0.651 233 V HN 0.410 nan 8.190 nan 0.000 0.449 234 K N 0.098 120.575 120.400 0.129 0.000 2.063 234 K HA -0.266 4.053 4.320 -0.001 0.000 0.208 234 K C 2.264 178.997 176.600 0.223 0.000 1.048 234 K CA 1.931 58.314 56.287 0.159 0.000 0.928 234 K CB -0.249 32.404 32.500 0.255 0.000 0.713 234 K HN 0.363 nan 8.250 nan 0.000 0.442 235 K N 1.138 121.668 120.400 0.217 0.000 2.026 235 K HA -0.230 4.090 4.320 -0.001 0.000 0.208 235 K C 2.147 178.842 176.600 0.159 0.000 1.048 235 K CA 1.721 58.144 56.287 0.226 0.000 0.929 235 K CB 0.026 32.587 32.500 0.100 0.000 0.713 235 K HN -0.029 nan 8.250 nan 0.000 0.439 236 E N 0.925 121.138 120.200 0.021 0.000 2.038 236 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 236 E C 1.934 178.527 176.600 -0.012 0.000 1.000 236 E CA 1.558 57.930 56.400 -0.047 0.000 0.803 236 E CB -0.238 29.385 29.700 -0.127 0.000 0.750 236 E HN 0.350 nan 8.360 nan 0.000 0.448 237 L N -0.220 121.006 121.223 0.004 0.000 2.093 237 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 237 L C 2.520 179.409 176.870 0.032 0.000 1.085 237 L CA 0.977 55.813 54.840 -0.007 0.000 0.755 237 L CB -0.625 41.413 42.059 -0.036 0.000 0.904 237 L HN 0.216 nan 8.230 nan 0.000 0.435 238 A N -0.244 122.649 122.820 0.122 0.000 1.902 238 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 238 A C 2.210 179.979 177.584 0.309 0.000 1.181 238 A CA 1.548 53.714 52.037 0.216 0.000 0.623 238 A CB -0.481 18.803 19.000 0.472 0.000 0.818 238 A HN 0.467 nan 8.150 nan 0.000 0.443 239 Q N -0.979 118.955 119.800 0.225 0.000 2.226 239 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 239 Q C 1.324 177.311 176.000 -0.022 0.000 0.975 239 Q CA 1.262 57.038 55.803 -0.046 0.000 0.866 239 Q CB -0.022 28.547 28.738 -0.282 0.000 0.915 239 Q HN 0.604 nan 8.270 nan 0.000 0.440 240 Q N -0.242 119.559 119.800 0.001 0.000 2.247 240 Q HA 0.147 4.487 4.340 -0.001 0.000 0.204 240 Q C -0.399 175.615 176.000 0.024 0.000 0.872 240 Q CA -0.044 55.757 55.803 -0.004 0.000 0.951 240 Q CB 0.676 29.402 28.738 -0.021 0.000 1.099 240 Q HN 0.263 nan 8.270 nan 0.000 0.501 241 R N 0.889 121.410 120.500 0.034 0.000 3.322 241 R HA -0.211 4.129 4.340 -0.001 0.000 0.253 241 R C -0.120 176.212 176.300 0.053 0.000 0.987 241 R CA 0.472 56.585 56.100 0.021 0.000 0.666 241 R CB -1.720 28.617 30.300 0.062 0.000 1.072 241 R HN 0.383 nan 8.270 nan 0.000 0.447 242 Q N -0.030 119.788 119.800 0.031 0.000 2.165 242 Q HA 0.183 4.522 4.340 -0.001 0.000 0.245 242 Q C 1.149 177.223 176.000 0.124 0.000 0.841 242 Q CA -0.231 55.622 55.803 0.084 0.000 1.078 242 Q CB 0.563 29.314 28.738 0.021 0.000 1.169 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.074 121.309 121.223 0.019 0.000 2.418 243 L HA 0.043 4.382 4.340 -0.001 0.000 0.218 243 L C 0.348 177.216 176.870 -0.003 0.000 1.125 243 L CA 0.931 55.760 54.840 -0.018 0.000 0.835 243 L CB 0.296 42.165 42.059 -0.318 0.000 0.953 243 L HN 0.181 nan 8.230 nan 0.000 0.454 244 E N 0.263 120.499 120.200 0.060 0.000 2.158 244 E HA 0.515 4.864 4.350 -0.001 0.000 0.271 244 E C -1.205 175.305 176.600 -0.149 0.000 0.911 244 E CA -0.532 55.702 56.400 -0.276 0.000 0.767 244 E CB 1.443 31.105 29.700 -0.064 0.000 1.120 244 E HN 0.009 nan 8.360 nan 0.000 0.405 245 F N -0.238 119.444 119.950 -0.446 0.000 2.668 245 F HA 0.458 4.985 4.527 -0.001 0.000 0.309 245 F C -1.504 174.175 175.800 -0.201 0.000 1.117 245 F CA -1.390 56.494 58.000 -0.194 0.000 0.951 245 F CB 0.750 39.670 39.000 -0.133 0.000 1.323 245 F HN 0.155 nan 8.300 nan 0.000 0.451 246 L N 2.788 124.156 121.223 0.241 0.000 2.268 246 L HA 0.164 4.504 4.340 -0.001 0.000 0.289 246 L C -1.034 176.058 176.870 0.370 0.000 1.064 246 L CA -0.190 54.791 54.840 0.236 0.000 0.824 246 L CB 0.413 42.616 42.059 0.240 0.000 1.202 246 L HN 0.587 nan 8.230 nan 0.000 0.433 247 W N 6.790 128.191 121.300 0.169 0.000 2.387 247 W HA 0.349 5.009 4.660 -0.001 0.000 0.310 247 W C 0.198 176.743 176.519 0.044 0.000 1.181 247 W CA -1.288 56.178 57.345 0.202 0.000 1.333 247 W CB 0.522 30.136 29.460 0.257 0.000 1.286 247 W HN 0.514 nan 8.180 nan 0.000 0.455 248 R N 3.751 124.434 120.500 0.305 0.000 2.828 248 R HA 0.544 4.883 4.340 -0.001 0.000 0.264 248 R C -0.090 176.120 176.300 -0.150 0.000 1.022 248 R CA -0.911 55.192 56.100 0.005 0.000 1.021 248 R CB 1.119 31.405 30.300 -0.023 0.000 1.163 248 R HN 0.242 nan 8.270 nan 0.000 0.494 249 Q N 1.335 120.889 119.800 -0.410 0.000 2.421 249 Q HA 0.058 4.398 4.340 -0.001 0.000 0.255 249 Q C 1.452 177.052 176.000 -0.667 0.000 1.013 249 Q CA 0.113 55.462 55.803 -0.757 0.000 0.895 249 Q CB 0.783 28.599 28.738 -1.536 0.000 1.271 249 Q HN 0.846 nan 8.270 nan 0.000 0.460 250 I N -2.134 118.144 120.570 -0.487 0.000 2.567 250 I HA -0.143 4.027 4.170 -0.001 0.000 0.257 250 I C 1.337 177.401 176.117 -0.089 0.000 1.184 250 I CA 1.206 62.393 61.300 -0.187 0.000 1.451 250 I CB -0.373 37.619 38.000 -0.014 0.000 1.089 250 I HN 0.673 nan 8.210 nan 0.000 0.441 251 W N 1.427 122.795 121.300 0.113 0.000 3.278 251 W HA 0.347 5.007 4.660 -0.001 0.000 0.308 251 W C 0.263 176.863 176.519 0.135 0.000 1.253 251 W CA -0.642 56.832 57.345 0.215 0.000 1.759 251 W CB -0.683 28.985 29.460 0.347 0.000 1.093 251 W HN -0.060 nan 8.180 nan 0.000 0.648 252 D N 1.912 122.061 120.400 -0.419 0.000 2.393 252 D HA -0.031 4.609 4.640 -0.001 0.000 0.232 252 D C 1.006 177.284 176.300 -0.037 0.000 1.192 252 D CA 0.167 54.049 54.000 -0.197 0.000 0.882 252 D CB 0.318 40.903 40.800 -0.359 0.000 1.038 252 D HN 0.085 nan 8.370 nan 0.000 0.499 253 N N 3.842 122.582 118.700 0.067 0.000 2.216 253 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 253 N C 1.426 176.957 175.510 0.035 0.000 1.017 253 N CA 1.173 54.253 53.050 0.051 0.000 0.861 253 N CB 0.135 38.672 38.487 0.084 0.000 0.986 253 N HN 0.364 nan 8.380 nan 0.000 0.428 254 K N -1.336 119.090 120.400 0.044 0.000 2.137 254 K HA 0.089 4.409 4.320 -0.001 0.000 0.202 254 K C 0.572 177.188 176.600 0.026 0.000 1.052 254 K CA 0.997 57.306 56.287 0.037 0.000 0.961 254 K CB 0.054 32.581 32.500 0.045 0.000 0.741 254 K HN 0.257 nan 8.250 nan 0.000 0.452 255 G N 0.981 109.790 108.800 0.014 0.000 2.148 255 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.203 255 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.203 255 G C 0.104 175.010 174.900 0.010 0.000 0.993 255 G CA 0.323 45.428 45.100 0.009 0.000 0.661 255 G HN 0.366 nan 8.290 nan 0.000 0.518 256 D N 0.673 121.081 120.400 0.012 0.000 2.350 256 D HA -0.024 4.616 4.640 -0.001 0.000 0.216 256 D C 2.558 178.852 176.300 -0.011 0.000 0.968 256 D CA 1.692 55.697 54.000 0.008 0.000 0.894 256 D CB -0.192 40.620 40.800 0.019 0.000 0.909 256 D HN 0.671 nan 8.370 nan 0.000 0.520 257 T N -2.065 112.474 114.554 -0.025 0.000 3.113 257 T HA 0.291 4.640 4.350 -0.001 0.000 0.256 257 T C 0.999 175.666 174.700 -0.055 0.000 1.131 257 T CA -0.069 61.996 62.100 -0.057 0.000 1.074 257 T CB 0.019 68.838 68.868 -0.082 0.000 0.944 257 T HN 0.061 nan 8.240 nan 0.000 0.516 258 A N 1.396 124.208 122.820 -0.014 0.000 2.540 258 A HA 0.551 4.871 4.320 -0.001 0.000 0.239 258 A C -0.279 177.327 177.584 0.038 0.000 1.061 258 A CA -0.328 51.731 52.037 0.036 0.000 0.758 258 A CB -0.109 18.936 19.000 0.076 0.000 0.991 258 A HN 0.539 nan 8.150 nan 0.000 0.502 259 L N 2.617 123.883 121.223 0.072 0.000 2.409 259 L HA 0.559 4.899 4.340 -0.001 0.000 0.272 259 L C -0.627 176.303 176.870 0.100 0.000 0.980 259 L CA -0.563 54.314 54.840 0.062 0.000 0.826 259 L CB 1.469 43.530 42.059 0.003 0.000 1.268 259 L HN 0.666 nan 8.230 nan 0.000 0.407 260 F N 3.778 123.692 119.950 -0.061 0.000 2.578 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.381 260 F C 0.028 175.711 175.800 -0.195 0.000 1.069 260 F CA 0.804 58.733 58.000 -0.118 0.000 1.231 260 F CB 0.445 39.396 39.000 -0.081 0.000 1.086 260 F HN 0.559 nan 8.300 nan 0.000 0.564 261 T N 5.328 119.318 114.554 -0.940 0.000 2.861 261 T HA 0.202 4.551 4.350 -0.001 0.000 0.287 261 T C -1.630 172.442 174.700 -1.047 0.000 1.003 261 T CA -0.480 61.142 62.100 -0.797 0.000 0.977 261 T CB 0.917 69.293 68.868 -0.819 0.000 0.996 261 T HN 0.611 nan 8.240 nan 0.000 0.448 262 H N 2.818 121.583 119.070 -0.509 0.000 2.541 262 H HA 0.618 5.174 4.556 -0.001 0.000 0.316 262 H C -0.386 174.754 175.328 -0.313 0.000 1.043 262 H CA -0.733 55.131 56.048 -0.307 0.000 1.232 262 H CB 0.734 30.537 29.762 0.067 0.000 1.406 262 H HN 0.479 nan 8.280 nan 0.000 0.469 263 M N 6.701 125.973 119.600 -0.546 0.000 2.157 263 M HA 0.291 4.771 4.480 -0.001 0.000 0.354 263 M C -0.911 175.145 176.300 -0.408 0.000 1.170 263 M CA -0.623 54.431 55.300 -0.409 0.000 1.060 263 M CB 0.676 33.087 32.600 -0.314 0.000 1.615 263 M HN 0.703 nan 8.290 nan 0.000 0.460 264 M N 7.261 126.719 119.600 -0.238 0.000 2.245 264 M HA 0.158 4.637 4.480 -0.001 0.000 0.344 264 M C -1.540 174.638 176.300 -0.204 0.000 1.170 264 M CA -1.116 54.089 55.300 -0.158 0.000 1.135 264 M CB 0.391 32.914 32.600 -0.129 0.000 1.574 264 M HN 0.470 nan 8.290 nan 0.000 0.452 265 P HA 0.097 nan 4.420 nan 0.000 0.239 265 P C -0.377 176.770 177.300 -0.254 0.000 1.188 265 P CA 0.922 63.742 63.100 -0.466 0.000 0.794 265 P CB 0.345 31.450 31.700 -0.992 0.000 0.937 266 F N -1.868 118.089 119.950 0.012 0.000 2.611 266 F HA 0.298 4.825 4.527 -0.001 0.000 0.374 266 F C 1.979 177.867 175.800 0.147 0.000 1.110 266 F CA -1.495 56.547 58.000 0.072 0.000 1.090 266 F CB -0.841 38.139 39.000 -0.034 0.000 1.388 266 F HN -0.309 nan 8.300 nan 0.000 0.501 267 Y N 0.021 120.463 120.300 0.236 0.000 2.373 267 Y HA 0.125 4.675 4.550 -0.001 0.000 0.293 267 Y C 0.861 176.679 175.900 -0.137 0.000 1.129 267 Y CA 1.290 59.392 58.100 0.004 0.000 1.226 267 Y CB 0.091 38.458 38.460 -0.156 0.000 1.000 267 Y HN 0.351 nan 8.280 nan 0.000 0.549 268 S N -1.673 113.882 115.700 -0.241 0.000 2.618 268 S HA 0.256 4.726 4.470 -0.001 0.000 0.277 268 S C -0.384 174.146 174.600 -0.116 0.000 1.138 268 S CA -0.417 57.544 58.200 -0.398 0.000 0.844 268 S CB 0.342 63.252 63.200 -0.485 0.000 1.127 268 S HN 0.291 nan 8.310 nan 0.000 0.474 269 Y N 0.844 121.107 120.300 -0.062 0.000 2.466 269 Y HA 0.310 4.859 4.550 -0.001 0.000 0.272 269 Y C 0.455 176.443 175.900 0.148 0.000 1.169 269 Y CA -0.593 57.505 58.100 -0.004 0.000 1.285 269 Y CB -0.987 37.383 38.460 -0.149 0.000 1.078 269 Y HN 0.546 nan 8.280 nan 0.000 0.523 270 D N 0.678 121.088 120.400 0.016 0.000 2.371 270 D HA -0.036 4.603 4.640 -0.001 0.000 0.242 270 D C 1.224 177.652 176.300 0.214 0.000 1.218 270 D CA -0.364 53.730 54.000 0.158 0.000 0.945 270 D CB 0.840 41.692 40.800 0.087 0.000 1.137 270 D HN 0.260 nan 8.370 nan 0.000 0.464 271 I N -0.072 120.600 120.570 0.169 0.000 2.226 271 I HA -0.158 4.011 4.170 -0.001 0.000 0.245 271 I C -0.731 175.424 176.117 0.063 0.000 1.100 271 I CA 0.882 62.267 61.300 0.141 0.000 1.374 271 I CB -1.188 36.881 38.000 0.115 0.000 1.057 271 I HN 0.355 nan 8.210 nan 0.000 0.413 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.597 177.599 177.300 -0.497 0.000 1.146 272 P CA 1.648 64.572 63.100 -0.293 0.000 0.813 272 P CB -0.122 31.401 31.700 -0.295 0.000 0.778 273 H N -3.063 116.004 119.070 -0.005 0.000 2.486 273 H HA 0.218 4.773 4.556 -0.001 0.000 0.284 273 H C 0.920 176.346 175.328 0.164 0.000 1.103 273 H CA 0.587 56.644 56.048 0.015 0.000 1.089 273 H CB -0.200 29.634 29.762 0.121 0.000 1.603 273 H HN 0.110 nan 8.280 nan 0.000 0.557 274 T N -4.223 110.447 114.554 0.194 0.000 2.986 274 T HA -0.026 4.324 4.350 -0.001 0.000 0.264 274 T C 1.826 176.648 174.700 0.203 0.000 0.964 274 T CA 0.370 62.611 62.100 0.234 0.000 0.895 274 T CB -0.678 68.320 68.868 0.217 0.000 1.163 274 T HN 0.508 nan 8.240 nan 0.000 0.517 275 c N 1.646 120.338 118.600 0.154 0.000 2.495 275 c HA 0.699 5.269 4.570 -0.001 0.000 0.275 275 c C 1.332 175.546 174.090 0.206 0.000 1.392 275 c CA 0.411 56.868 56.329 0.215 0.000 1.766 275 c CB -1.165 41.424 42.510 0.132 0.000 1.933 275 c HN 0.874 nan 8.230 nan 0.000 0.519 276 G N -0.399 108.454 108.800 0.087 0.000 2.315 276 G HA2 0.384 4.344 3.960 -0.001 0.000 0.294 276 G HA3 0.384 4.344 3.960 -0.001 0.000 0.294 276 G C -2.743 171.820 174.900 -0.561 0.000 1.300 276 G CA 0.225 45.316 45.100 -0.015 0.000 0.843 276 G HN -0.106 nan 8.290 nan 0.000 0.527 277 P HA 0.102 nan 4.420 nan 0.000 0.233 277 P C -0.160 176.726 177.300 -0.692 0.000 1.167 277 P CA 1.018 63.444 63.100 -1.124 0.000 0.770 277 P CB 0.395 31.760 31.700 -0.558 0.000 0.837 278 D N 0.844 120.951 120.400 -0.489 0.000 2.460 278 D HA 0.152 4.791 4.640 -0.001 0.000 0.232 278 D C -1.571 174.390 176.300 -0.565 0.000 1.079 278 D CA -2.619 51.135 54.000 -0.410 0.000 0.864 278 D CB 1.390 42.036 40.800 -0.257 0.000 1.048 278 D HN -0.029 nan 8.370 nan 0.000 0.523 279 P HA -0.127 nan 4.420 nan 0.000 0.223 279 P C 1.220 177.717 177.300 -1.339 0.000 1.151 279 P CA 0.645 62.994 63.100 -1.252 0.000 0.787 279 P CB 0.477 31.105 31.700 -1.786 0.000 0.788 280 K N 0.330 120.083 120.400 -1.080 0.000 2.147 280 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 280 K C 1.738 178.162 176.600 -0.295 0.000 1.049 280 K CA 1.057 57.014 56.287 -0.550 0.000 0.936 280 K CB -0.201 32.158 32.500 -0.235 0.000 0.722 280 K HN -0.062 nan 8.250 nan 0.000 0.446 281 V N 0.411 120.158 119.914 -0.279 0.000 2.331 281 V HA -0.234 3.886 4.120 -0.001 0.000 0.242 281 V C 2.420 178.491 176.094 -0.038 0.000 1.034 281 V CA 1.371 63.601 62.300 -0.118 0.000 1.027 281 V CB -0.347 31.422 31.823 -0.089 0.000 0.667 281 V HN 0.468 nan 8.190 nan 0.000 0.457 282 c N -0.678 117.823 118.600 -0.165 0.000 2.413 282 c HA -0.208 4.362 4.570 -0.001 0.000 0.277 282 c C 2.989 177.045 174.090 -0.057 0.000 1.265 282 c CA 0.768 57.059 56.329 -0.063 0.000 1.752 282 c CB -1.515 40.881 42.510 -0.190 0.000 1.998 282 c HN 0.757 nan 8.230 nan 0.000 0.489 283 c N 0.891 119.369 118.600 -0.204 0.000 2.410 283 c HA -0.173 4.396 4.570 -0.001 0.000 0.281 283 c C 2.624 176.605 174.090 -0.181 0.000 1.318 283 c CA 1.342 57.600 56.329 -0.118 0.000 1.776 283 c CB -1.472 41.043 42.510 0.008 0.000 1.942 283 c HN 0.644 nan 8.230 nan 0.000 0.508 284 Q N -1.479 118.161 119.800 -0.266 0.000 2.488 284 Q HA -0.018 4.321 4.340 -0.001 0.000 0.211 284 Q C 0.733 176.081 176.000 -1.087 0.000 0.967 284 Q CA 0.981 56.439 55.803 -0.575 0.000 0.926 284 Q CB -0.026 28.347 28.738 -0.608 0.000 0.992 284 Q HN 0.745 nan 8.270 nan 0.000 0.506 285 F N -0.302 119.342 119.950 -0.509 0.000 2.654 285 F HA 0.167 4.693 4.527 -0.001 0.000 0.303 285 F C 0.260 175.753 175.800 -0.513 0.000 1.099 285 F CA -0.556 57.035 58.000 -0.682 0.000 1.270 285 F CB 0.785 39.644 39.000 -0.235 0.000 1.024 285 F HN -0.143 nan 8.300 nan 0.000 0.548 286 D N 0.108 120.276 120.400 -0.387 0.000 2.467 286 D HA 0.131 4.770 4.640 -0.001 0.000 0.220 286 D C 0.461 176.584 176.300 -0.295 0.000 1.103 286 D CA -0.298 53.591 54.000 -0.186 0.000 0.886 286 D CB 0.118 40.868 40.800 -0.083 0.000 1.025 286 D HN 0.081 nan 8.370 nan 0.000 0.514 287 F N 1.747 121.702 119.950 0.008 0.000 2.802 287 F HA 0.105 4.632 4.527 -0.001 0.000 0.300 287 F C 2.327 178.082 175.800 -0.076 0.000 1.168 287 F CA 0.261 58.242 58.000 -0.030 0.000 1.433 287 F CB 0.081 39.084 39.000 0.005 0.000 1.115 287 F HN 0.257 nan 8.300 nan 0.000 0.582 288 K N 0.714 121.059 120.400 -0.090 0.000 2.486 288 K HA 0.036 4.356 4.320 -0.001 0.000 0.194 288 K C 1.057 177.627 176.600 -0.050 0.000 1.033 288 K CA 0.336 56.437 56.287 -0.310 0.000 1.004 288 K CB 0.116 32.278 32.500 -0.564 0.000 0.798 288 K HN 0.202 nan 8.250 nan 0.000 0.495 289 R N 0.060 120.554 120.500 -0.009 0.000 2.586 289 R HA 0.198 4.538 4.340 -0.001 0.000 0.306 289 R C 0.843 177.174 176.300 0.051 0.000 1.079 289 R CA -0.168 55.948 56.100 0.026 0.000 1.083 289 R CB 0.240 30.533 30.300 -0.012 0.000 1.306 289 R HN 0.182 nan 8.270 nan 0.000 0.567 290 M N -1.136 118.529 119.600 0.109 0.000 2.502 290 M HA 0.194 4.673 4.480 -0.001 0.000 0.243 290 M C 1.174 177.514 176.300 0.067 0.000 1.130 290 M CA 0.750 56.096 55.300 0.077 0.000 1.055 290 M CB 0.940 33.593 32.600 0.090 0.000 1.457 290 M HN 0.475 nan 8.290 nan 0.000 0.488 291 G N -0.046 108.811 108.800 0.094 0.000 3.465 291 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.196 291 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.196 291 G C 1.004 175.917 174.900 0.022 0.000 1.170 291 G CA 0.234 45.363 45.100 0.048 0.000 0.887 291 G HN 0.393 nan 8.290 nan 0.000 0.444 292 S N 0.289 115.967 115.700 -0.037 0.000 2.469 292 S HA 0.164 4.634 4.470 -0.001 0.000 0.238 292 S C 1.726 176.153 174.600 -0.289 0.000 0.998 292 S CA 1.565 59.648 58.200 -0.194 0.000 0.957 292 S CB -0.435 62.573 63.200 -0.320 0.000 0.764 292 S HN 0.349 nan 8.310 nan 0.000 0.514 293 F N 1.881 121.828 119.950 -0.004 0.000 2.765 293 F HA 0.429 4.955 4.527 -0.001 0.000 0.302 293 F C 1.877 177.674 175.800 -0.005 0.000 1.111 293 F CA -0.128 57.868 58.000 -0.007 0.000 1.359 293 F CB -0.220 38.772 39.000 -0.012 0.000 1.097 293 F HN 0.355 nan 8.300 nan 0.000 0.577 294 G N 1.182 110.056 108.800 0.123 0.000 2.179 294 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.257 294 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.257 294 G C -0.080 174.870 174.900 0.085 0.000 1.010 294 G CA 0.141 45.288 45.100 0.079 0.000 0.736 294 G HN 0.322 nan 8.290 nan 0.000 0.513 295 L N -0.031 121.257 121.223 0.108 0.000 2.323 295 L HA 0.872 5.211 4.340 -0.001 0.000 0.265 295 L C 0.523 177.427 176.870 0.056 0.000 1.012 295 L CA -0.386 54.499 54.840 0.075 0.000 0.820 295 L CB 2.323 44.424 42.059 0.069 0.000 1.334 295 L HN 0.454 nan 8.230 nan 0.000 0.427 296 S N -0.792 114.929 115.700 0.035 0.000 2.688 296 S HA 0.522 4.992 4.470 -0.001 0.000 0.275 296 S C -1.298 173.318 174.600 0.028 0.000 1.175 296 S CA -0.807 57.407 58.200 0.023 0.000 0.818 296 S CB 1.606 64.810 63.200 0.007 0.000 1.157 296 S HN 0.523 nan 8.310 nan 0.000 0.482 297 c N 3.041 121.664 118.600 0.037 0.000 2.255 297 c HA 0.563 5.132 4.570 -0.001 0.000 0.326 297 c C -1.083 173.012 174.090 0.009 0.000 1.258 297 c CA -1.215 55.179 56.329 0.109 0.000 1.676 297 c CB 0.865 43.468 42.510 0.156 0.000 2.314 297 c HN 0.762 nan 8.230 nan 0.000 0.509 298 P HA -0.080 nan 4.420 nan 0.000 0.230 298 P C 1.087 178.115 177.300 -0.453 0.000 1.158 298 P CA 1.220 64.060 63.100 -0.433 0.000 0.769 298 P CB 0.085 31.359 31.700 -0.709 0.000 0.807 299 W N 0.556 121.833 121.300 -0.037 0.000 3.180 299 W HA 0.177 4.836 4.660 -0.001 0.000 0.254 299 W C 0.722 177.214 176.519 -0.044 0.000 1.318 299 W CA 0.102 57.421 57.345 -0.044 0.000 1.608 299 W CB -0.409 29.016 29.460 -0.059 0.000 1.124 299 W HN 0.135 nan 8.180 nan 0.000 0.694 300 K N -1.102 119.357 120.400 0.099 0.000 3.512 300 K HA -0.169 4.150 4.320 -0.001 0.000 0.309 300 K C -0.383 176.240 176.600 0.038 0.000 1.350 300 K CA 0.503 56.814 56.287 0.040 0.000 0.960 300 K CB -1.959 30.550 32.500 0.016 0.000 1.290 300 K HN -0.119 nan 8.250 nan 0.000 0.454 301 V N 2.014 121.962 119.914 0.056 0.000 2.350 301 V HA 0.319 4.438 4.120 -0.001 0.000 0.285 301 V C -1.852 174.228 176.094 -0.023 0.000 1.014 301 V CA -1.554 60.749 62.300 0.006 0.000 0.831 301 V CB 1.338 33.156 31.823 -0.009 0.000 1.000 301 V HN -0.038 nan 8.190 nan 0.000 0.433 302 P HA 0.426 nan 4.420 nan 0.000 0.276 302 P C -2.836 174.377 177.300 -0.145 0.000 1.252 302 P CA -2.117 60.943 63.100 -0.066 0.000 0.802 302 P CB 0.235 31.910 31.700 -0.041 0.000 1.035 303 P HA 0.284 nan 4.420 nan 0.000 0.272 303 P C -0.376 176.828 177.300 -0.160 0.000 1.230 303 P CA 0.068 62.972 63.100 -0.327 0.000 0.788 303 P CB 0.572 32.024 31.700 -0.413 0.000 0.949 304 R N 0.203 120.618 120.500 -0.141 0.000 2.621 304 R HA 0.413 4.752 4.340 -0.001 0.000 0.292 304 R C -0.404 175.955 176.300 0.098 0.000 0.969 304 R CA -0.684 55.404 56.100 -0.021 0.000 0.887 304 R CB 1.317 31.580 30.300 -0.061 0.000 1.180 304 R HN 0.344 nan 8.270 nan 0.000 0.450 305 T N 3.968 118.573 114.554 0.085 0.000 2.905 305 T HA 0.016 4.366 4.350 -0.001 0.000 0.299 305 T C 0.767 175.455 174.700 -0.020 0.000 1.024 305 T CA 0.173 62.293 62.100 0.034 0.000 1.151 305 T CB 0.078 68.946 68.868 0.001 0.000 0.987 305 T HN 0.193 nan 8.240 nan 0.000 0.535 306 I N 4.133 124.644 120.570 -0.099 0.000 2.556 306 I HA 0.208 4.378 4.170 -0.001 0.000 0.284 306 I C 1.033 177.099 176.117 -0.084 0.000 1.114 306 I CA 0.117 61.359 61.300 -0.097 0.000 1.418 306 I CB 0.017 37.921 38.000 -0.159 0.000 1.394 306 I HN 0.761 nan 8.210 nan 0.000 0.552 307 S N 3.936 119.598 115.700 -0.063 0.000 2.667 307 S HA 0.443 4.913 4.470 -0.001 0.000 0.292 307 S C 0.397 174.964 174.600 -0.055 0.000 1.126 307 S CA -0.792 57.378 58.200 -0.050 0.000 0.881 307 S CB 2.186 65.364 63.200 -0.037 0.000 1.132 307 S HN 0.516 nan 8.310 nan 0.000 0.492 308 D N 0.730 121.107 120.400 -0.039 0.000 2.221 308 D HA -0.084 4.555 4.640 -0.001 0.000 0.204 308 D C 1.507 177.778 176.300 -0.047 0.000 0.982 308 D CA 1.425 55.402 54.000 -0.038 0.000 0.857 308 D CB -0.248 40.544 40.800 -0.013 0.000 0.934 308 D HN 0.540 nan 8.370 nan 0.000 0.475 309 Q N 0.254 120.031 119.800 -0.038 0.000 2.311 309 Q HA -0.036 4.304 4.340 -0.001 0.000 0.203 309 Q C 1.259 177.234 176.000 -0.043 0.000 0.954 309 Q CA 0.846 56.629 55.803 -0.034 0.000 0.885 309 Q CB -0.099 28.625 28.738 -0.023 0.000 0.963 309 Q HN 0.397 nan 8.270 nan 0.000 0.471 310 N N -1.801 116.866 118.700 -0.055 0.000 2.181 310 N HA -0.009 4.730 4.740 -0.001 0.000 0.207 310 N C 1.080 176.544 175.510 -0.077 0.000 1.182 310 N CA 0.157 53.176 53.050 -0.051 0.000 0.893 310 N CB -0.287 38.176 38.487 -0.040 0.000 1.032 310 N HN 0.048 nan 8.380 nan 0.000 0.513 311 V N 0.599 120.432 119.914 -0.136 0.000 2.407 311 V HA -0.080 4.040 4.120 -0.001 0.000 0.248 311 V C 2.257 178.159 176.094 -0.320 0.000 1.055 311 V CA 2.061 64.233 62.300 -0.214 0.000 1.049 311 V CB -0.871 30.798 31.823 -0.256 0.000 0.662 311 V HN 0.425 nan 8.190 nan 0.000 0.455 312 A N -0.048 122.554 122.820 -0.364 0.000 1.877 312 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 312 A C 2.449 180.083 177.584 0.083 0.000 1.186 312 A CA 2.321 54.276 52.037 -0.138 0.000 0.620 312 A CB -1.131 17.870 19.000 0.002 0.000 0.822 312 A HN 0.824 nan 8.150 nan 0.000 0.443 313 A N -0.566 122.274 122.820 0.034 0.000 1.902 313 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 313 A C 2.247 179.878 177.584 0.078 0.000 1.181 313 A CA 1.451 53.526 52.037 0.063 0.000 0.623 313 A CB -0.454 18.563 19.000 0.028 0.000 0.818 313 A HN 0.428 nan 8.150 nan 0.000 0.443 314 R N 0.081 120.618 120.500 0.062 0.000 2.081 314 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 314 R C 2.444 178.804 176.300 0.101 0.000 1.131 314 R CA 1.569 57.761 56.100 0.153 0.000 0.960 314 R CB -1.025 29.360 30.300 0.143 0.000 0.856 314 R HN 0.540 nan 8.270 nan 0.000 0.436 315 S N 1.410 117.124 115.700 0.022 0.000 2.368 315 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 315 S C 1.349 175.835 174.600 -0.190 0.000 1.030 315 S CA 1.398 59.522 58.200 -0.127 0.000 0.999 315 S CB -0.277 63.006 63.200 0.138 0.000 0.844 315 S HN 0.262 nan 8.310 nan 0.000 0.459 316 D N 1.601 122.101 120.400 0.166 0.000 2.160 316 D HA -0.139 4.501 4.640 -0.001 0.000 0.189 316 D C 1.895 178.204 176.300 0.015 0.000 1.003 316 D CA 1.085 55.227 54.000 0.238 0.000 0.846 316 D CB -0.551 40.382 40.800 0.220 0.000 0.949 316 D HN 0.279 nan 8.370 nan 0.000 0.446 317 L N -0.234 120.977 121.223 -0.020 0.000 2.046 317 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 317 L C 2.419 179.111 176.870 -0.297 0.000 1.077 317 L CA 0.494 55.297 54.840 -0.062 0.000 0.747 317 L CB -0.210 41.888 42.059 0.064 0.000 0.896 317 L HN 0.080 nan 8.230 nan 0.000 0.432 318 L N -0.961 119.910 121.223 -0.588 0.000 2.044 318 L HA -0.118 4.222 4.340 -0.001 0.000 0.205 318 L C 2.319 178.474 176.870 -1.191 0.000 1.075 318 L CA 1.542 55.690 54.840 -1.154 0.000 0.747 318 L CB -0.329 40.748 42.059 -1.636 0.000 0.903 318 L HN -0.085 nan 8.230 nan 0.000 0.435 319 V N 0.006 119.334 119.914 -0.976 0.000 2.407 319 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 319 V C 2.308 178.211 176.094 -0.318 0.000 1.055 319 V CA 1.926 63.798 62.300 -0.713 0.000 1.049 319 V CB -0.778 30.552 31.823 -0.821 0.000 0.662 319 V HN 0.590 nan 8.190 nan 0.000 0.455 320 D N -0.744 119.540 120.400 -0.194 0.000 2.123 320 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 320 D C 2.235 178.504 176.300 -0.051 0.000 0.992 320 D CA 1.232 55.236 54.000 0.006 0.000 0.833 320 D CB -0.020 40.846 40.800 0.110 0.000 0.954 320 D HN 0.305 nan 8.370 nan 0.000 0.455 321 Q N -0.454 119.248 119.800 -0.163 0.000 2.061 321 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 321 Q C 2.181 178.196 176.000 0.024 0.000 0.984 321 Q CA 1.044 56.778 55.803 -0.114 0.000 0.846 321 Q CB -0.647 27.963 28.738 -0.213 0.000 0.902 321 Q HN 0.554 nan 8.270 nan 0.000 0.421 322 W N 1.486 122.676 121.300 -0.183 0.000 2.335 322 W HA -0.123 4.536 4.660 -0.001 0.000 0.311 322 W C 2.125 178.527 176.519 -0.196 0.000 1.213 322 W CA 0.826 58.064 57.345 -0.179 0.000 1.274 322 W CB -0.708 28.617 29.460 -0.225 0.000 1.148 322 W HN 0.220 nan 8.180 nan 0.000 0.498 323 K N 0.085 120.448 120.400 -0.062 0.000 2.148 323 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 323 K C 1.958 178.386 176.600 -0.286 0.000 1.050 323 K CA 1.159 57.255 56.287 -0.319 0.000 0.942 323 K CB -0.207 31.811 32.500 -0.802 0.000 0.724 323 K HN 0.074 nan 8.250 nan 0.000 0.446 324 K N 1.052 121.367 120.400 -0.142 0.000 2.026 324 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 324 K C 2.100 178.759 176.600 0.099 0.000 1.048 324 K CA 1.320 57.658 56.287 0.086 0.000 0.929 324 K CB -0.039 32.532 32.500 0.118 0.000 0.713 324 K HN 0.008 nan 8.250 nan 0.000 0.439 325 K N 0.670 121.134 120.400 0.107 0.000 2.063 325 K HA -0.166 4.154 4.320 -0.001 0.000 0.208 325 K C 2.021 178.728 176.600 0.178 0.000 1.048 325 K CA 1.407 57.779 56.287 0.142 0.000 0.928 325 K CB -0.118 32.478 32.500 0.160 0.000 0.713 325 K HN 0.170 nan 8.250 nan 0.000 0.442 326 A N 1.056 123.966 122.820 0.150 0.000 2.067 326 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 326 A C 1.686 179.432 177.584 0.269 0.000 1.158 326 A CA 1.240 53.404 52.037 0.210 0.000 0.661 326 A CB -0.291 18.791 19.000 0.137 0.000 0.801 326 A HN 0.298 nan 8.150 nan 0.000 0.452 327 E N 0.077 120.411 120.200 0.224 0.000 2.265 327 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 327 E C 1.562 178.286 176.600 0.207 0.000 0.996 327 E CA 0.703 57.248 56.400 0.241 0.000 0.832 327 E CB -0.238 29.628 29.700 0.278 0.000 0.756 327 E HN 0.723 nan 8.360 nan 0.000 0.491 328 L N -0.599 120.701 121.223 0.128 0.000 2.591 328 L HA 0.049 4.389 4.340 -0.001 0.000 0.228 328 L C 0.240 176.889 176.870 -0.367 0.000 1.133 328 L CA 0.236 55.018 54.840 -0.096 0.000 0.880 328 L CB -0.084 41.799 42.059 -0.295 0.000 1.033 328 L HN -0.006 nan 8.230 nan 0.000 0.450 329 Y N -1.668 118.715 120.300 0.139 0.000 2.633 329 Y HA 0.386 4.936 4.550 -0.001 0.000 0.339 329 Y C 1.099 177.116 175.900 0.194 0.000 1.045 329 Y CA -0.986 57.217 58.100 0.171 0.000 1.098 329 Y CB 1.202 39.773 38.460 0.184 0.000 1.296 329 Y HN -0.290 nan 8.280 nan 0.000 0.494 330 R N -0.596 120.143 120.500 0.398 0.000 2.265 330 R HA 0.101 4.441 4.340 -0.001 0.000 0.194 330 R C 0.304 176.736 176.300 0.221 0.000 0.931 330 R CA 0.691 56.935 56.100 0.240 0.000 1.032 330 R CB 0.347 30.722 30.300 0.126 0.000 0.980 330 R HN 0.756 nan 8.270 nan 0.000 0.497 331 T N -0.778 113.950 114.554 0.289 0.000 2.910 331 T HA 0.105 4.454 4.350 -0.001 0.000 0.279 331 T C 0.637 175.485 174.700 0.247 0.000 0.989 331 T CA -0.928 61.310 62.100 0.230 0.000 0.968 331 T CB 1.198 70.180 68.868 0.190 0.000 1.135 331 T HN 0.077 nan 8.240 nan 0.000 0.562 332 N N 0.060 118.877 118.700 0.195 0.000 2.327 332 N HA 0.141 4.880 4.740 -0.001 0.000 0.231 332 N C -0.724 174.764 175.510 -0.038 0.000 1.130 332 N CA -0.373 52.750 53.050 0.121 0.000 0.845 332 N CB -0.128 38.353 38.487 -0.010 0.000 1.073 332 N HN 0.374 nan 8.380 nan 0.000 0.496 333 V N 1.315 121.244 119.914 0.024 0.000 2.409 333 V HA 0.401 4.521 4.120 -0.001 0.000 0.291 333 V C -0.617 175.555 176.094 0.130 0.000 1.020 333 V CA -0.969 61.346 62.300 0.025 0.000 0.848 333 V CB 1.541 33.360 31.823 -0.006 0.000 0.990 333 V HN 0.179 nan 8.190 nan 0.000 0.430 334 L N 5.765 127.002 121.223 0.023 0.000 2.322 334 L HA 0.680 5.019 4.340 -0.001 0.000 0.281 334 L C -0.812 175.927 176.870 -0.219 0.000 1.014 334 L CA -0.465 54.311 54.840 -0.106 0.000 0.815 334 L CB 1.635 43.528 42.059 -0.276 0.000 1.247 334 L HN 0.627 nan 8.230 nan 0.000 0.421 335 L N 6.419 127.306 121.223 -0.559 0.000 2.265 335 L HA 0.528 4.867 4.340 -0.001 0.000 0.288 335 L C -0.962 175.619 176.870 -0.481 0.000 1.058 335 L CA 0.154 54.505 54.840 -0.816 0.000 0.809 335 L CB 0.674 41.772 42.059 -1.601 0.000 1.179 335 L HN 0.432 nan 8.230 nan 0.000 0.429 336 I N 7.571 127.939 120.570 -0.336 0.000 2.502 336 I HA 0.336 4.506 4.170 -0.001 0.000 0.276 336 I C -2.257 173.836 176.117 -0.041 0.000 1.057 336 I CA -2.087 59.109 61.300 -0.174 0.000 1.163 336 I CB 0.924 38.798 38.000 -0.210 0.000 1.288 336 I HN 0.412 nan 8.210 nan 0.000 0.479 337 P HA 0.139 nan 4.420 nan 0.000 0.269 337 P C -0.443 177.033 177.300 0.293 0.000 1.209 337 P CA -0.202 63.023 63.100 0.209 0.000 0.776 337 P CB 0.827 32.689 31.700 0.269 0.000 0.876 338 L N 2.962 124.399 121.223 0.358 0.000 2.454 338 L HA 0.761 5.101 4.340 -0.001 0.000 0.258 338 L C -0.088 176.856 176.870 0.123 0.000 1.025 338 L CA 0.402 55.376 54.840 0.223 0.000 0.901 338 L CB 0.515 42.637 42.059 0.104 0.000 1.210 338 L HN 0.624 nan 8.230 nan 0.000 0.457 339 G N 1.812 110.574 108.800 -0.064 0.000 2.342 339 G HA2 0.459 4.419 3.960 -0.001 0.000 0.297 339 G HA3 0.459 4.419 3.960 -0.001 0.000 0.297 339 G C -2.185 172.593 174.900 -0.203 0.000 1.313 339 G CA -0.196 44.625 45.100 -0.465 0.000 0.830 339 G HN 0.421 nan 8.290 nan 0.000 0.506 340 D N -1.815 118.526 120.400 -0.098 0.000 2.879 340 D HA 0.313 4.953 4.640 -0.001 0.000 0.346 340 D C -1.556 174.876 176.300 0.219 0.000 1.390 340 D CA -0.438 53.688 54.000 0.210 0.000 0.838 340 D CB 1.322 42.196 40.800 0.124 0.000 1.416 340 D HN 0.222 nan 8.370 nan 0.000 0.493 341 D N 0.365 120.946 120.400 0.300 0.000 2.383 341 D HA 0.248 4.888 4.640 -0.001 0.000 0.252 341 D C 0.178 176.634 176.300 0.260 0.000 1.166 341 D CA 0.387 54.556 54.000 0.282 0.000 0.879 341 D CB -0.207 40.852 40.800 0.432 0.000 1.164 341 D HN 0.338 nan 8.370 nan 0.000 0.462 342 F N 0.267 120.284 119.950 0.112 0.000 3.079 342 F HA -0.305 4.222 4.527 -0.001 0.000 0.274 342 F C 1.089 176.930 175.800 0.068 0.000 0.940 342 F CA 0.607 58.649 58.000 0.070 0.000 0.932 342 F CB -0.948 38.082 39.000 0.051 0.000 0.891 342 F HN 0.227 nan 8.300 nan 0.000 0.722 343 R N -0.491 120.094 120.500 0.142 0.000 2.652 343 R HA 0.463 4.803 4.340 -0.001 0.000 0.271 343 R C 0.754 177.083 176.300 0.048 0.000 1.129 343 R CA -0.641 55.431 56.100 -0.046 0.000 1.200 343 R CB -0.111 30.047 30.300 -0.237 0.000 1.146 343 R HN 0.192 nan 8.270 nan 0.000 0.581 344 F N -0.902 118.888 119.950 -0.268 0.000 3.071 344 F HA -0.266 4.261 4.527 -0.001 0.000 0.295 344 F C 1.349 177.117 175.800 -0.053 0.000 0.919 344 F CA 1.023 58.679 58.000 -0.574 0.000 1.050 344 F CB -1.155 37.206 39.000 -1.065 0.000 1.040 344 F HN 0.605 nan 8.300 nan 0.000 0.692 345 K N -0.208 120.256 120.400 0.106 0.000 2.128 345 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 345 K C 0.626 177.375 176.600 0.248 0.000 1.050 345 K CA 0.919 57.340 56.287 0.222 0.000 0.966 345 K CB 0.235 32.835 32.500 0.166 0.000 0.759 345 K HN 0.364 nan 8.250 nan 0.000 0.454 346 Q N 0.448 120.371 119.800 0.204 0.000 2.235 346 Q HA 0.187 4.526 4.340 -0.001 0.000 0.250 346 Q C 0.066 176.265 176.000 0.332 0.000 0.909 346 Q CA -0.205 55.740 55.803 0.237 0.000 0.910 346 Q CB 1.548 30.460 28.738 0.290 0.000 1.223 346 Q HN 0.200 nan 8.270 nan 0.000 0.432 347 N N 0.044 118.911 118.700 0.279 0.000 2.094 347 N HA -0.229 4.511 4.740 -0.001 0.000 0.191 347 N C 1.345 177.026 175.510 0.286 0.000 1.023 347 N CA 1.846 55.064 53.050 0.279 0.000 0.857 347 N CB -0.056 38.536 38.487 0.176 0.000 1.013 347 N HN 0.759 nan 8.380 nan 0.000 0.426 348 T N -1.291 113.421 114.554 0.264 0.000 2.833 348 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 348 T C 1.648 176.551 174.700 0.338 0.000 1.054 348 T CA 1.176 63.450 62.100 0.290 0.000 1.135 348 T CB -0.239 68.788 68.868 0.266 0.000 0.869 348 T HN 0.340 nan 8.240 nan 0.000 0.466 349 E N -0.201 120.149 120.200 0.251 0.000 2.072 349 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 349 E C 1.841 178.364 176.600 -0.128 0.000 0.982 349 E CA 0.737 57.058 56.400 -0.132 0.000 0.803 349 E CB -0.275 29.161 29.700 -0.439 0.000 0.755 349 E HN 0.704 nan 8.360 nan 0.000 0.453 350 W N 1.826 123.066 121.300 -0.101 0.000 2.318 350 W HA -0.205 4.455 4.660 -0.001 0.000 0.313 350 W C 2.143 178.526 176.519 -0.227 0.000 1.221 350 W CA 1.369 58.555 57.345 -0.264 0.000 1.266 350 W CB -0.303 28.686 29.460 -0.785 0.000 1.150 350 W HN 0.193 nan 8.180 nan 0.000 0.496 351 D N -0.564 119.946 120.400 0.183 0.000 2.097 351 D HA -0.175 4.465 4.640 -0.001 0.000 0.195 351 D C 2.290 178.687 176.300 0.163 0.000 0.989 351 D CA 1.514 55.662 54.000 0.247 0.000 0.827 351 D CB -1.030 39.915 40.800 0.242 0.000 0.966 351 D HN 0.026 nan 8.370 nan 0.000 0.456 352 V N 0.969 120.964 119.914 0.135 0.000 2.407 352 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 352 V C 2.228 178.359 176.094 0.063 0.000 1.055 352 V CA 1.609 63.967 62.300 0.096 0.000 1.049 352 V CB -0.084 31.844 31.823 0.176 0.000 0.662 352 V HN 0.157 nan 8.190 nan 0.000 0.455 353 Q N -0.340 119.538 119.800 0.129 0.000 2.049 353 Q HA -0.182 4.158 4.340 -0.001 0.000 0.198 353 Q C 2.348 178.553 176.000 0.342 0.000 0.971 353 Q CA 1.874 57.853 55.803 0.293 0.000 0.833 353 Q CB -0.491 28.397 28.738 0.251 0.000 0.896 353 Q HN 0.622 nan 8.270 nan 0.000 0.434 354 R N 0.510 121.178 120.500 0.280 0.000 2.073 354 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 354 R C 2.234 178.717 176.300 0.304 0.000 1.134 354 R CA 1.396 57.716 56.100 0.366 0.000 0.952 354 R CB -0.090 30.425 30.300 0.358 0.000 0.850 354 R HN 0.059 nan 8.270 nan 0.000 0.433 355 V N 1.937 121.944 119.914 0.155 0.000 2.358 355 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 355 V C 2.011 178.047 176.094 -0.096 0.000 1.047 355 V CA 1.833 64.166 62.300 0.056 0.000 1.035 355 V CB -0.603 31.241 31.823 0.035 0.000 0.658 355 V HN 0.440 nan 8.190 nan 0.000 0.452 356 N N -0.659 117.864 118.700 -0.294 0.000 2.120 356 N HA -0.170 4.569 4.740 -0.001 0.000 0.188 356 N C 1.853 177.043 175.510 -0.535 0.000 1.024 356 N CA 1.669 54.321 53.050 -0.663 0.000 0.852 356 N CB -0.313 37.152 38.487 -1.703 0.000 1.003 356 N HN 0.518 nan 8.380 nan 0.000 0.424 357 Y N 1.930 122.045 120.300 -0.309 0.000 2.242 357 Y HA -0.064 4.485 4.550 -0.001 0.000 0.291 357 Y C 2.380 177.770 175.900 -0.849 0.000 1.137 357 Y CA 0.988 58.778 58.100 -0.517 0.000 1.181 357 Y CB -0.138 38.123 38.460 -0.331 0.000 0.989 357 Y HN 0.123 nan 8.280 nan 0.000 0.527 358 E N -0.198 119.872 120.200 -0.217 0.000 2.118 358 E HA -0.250 4.100 4.350 -0.001 0.000 0.195 358 E C 2.213 178.767 176.600 -0.078 0.000 0.992 358 E CA 1.214 57.568 56.400 -0.076 0.000 0.804 358 E CB -0.143 29.635 29.700 0.131 0.000 0.741 358 E HN 0.463 nan 8.360 nan 0.000 0.458 359 R N 0.232 120.662 120.500 -0.117 0.000 2.092 359 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 359 R C 2.458 178.732 176.300 -0.044 0.000 1.119 359 R CA 0.774 56.836 56.100 -0.063 0.000 0.970 359 R CB -0.210 30.032 30.300 -0.096 0.000 0.864 359 R HN 0.150 nan 8.270 nan 0.000 0.440 360 L N -0.363 120.767 121.223 -0.155 0.000 2.017 360 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 360 L C 2.108 179.033 176.870 0.091 0.000 1.073 360 L CA 1.223 56.013 54.840 -0.083 0.000 0.745 360 L CB -0.440 41.485 42.059 -0.223 0.000 0.894 360 L HN 0.079 nan 8.230 nan 0.000 0.432 361 F N 0.233 120.208 119.950 0.041 0.000 2.126 361 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 361 F C 2.643 178.455 175.800 0.021 0.000 1.096 361 F CA 1.348 59.357 58.000 0.015 0.000 1.255 361 F CB -0.996 37.966 39.000 -0.063 0.000 0.997 361 F HN 0.216 nan 8.300 nan 0.000 0.479 362 E N -0.714 119.621 120.200 0.224 0.000 2.077 362 E HA -0.288 4.061 4.350 -0.001 0.000 0.193 362 E C 2.220 178.912 176.600 0.153 0.000 0.989 362 E CA 1.481 57.973 56.400 0.153 0.000 0.800 362 E CB -0.240 29.532 29.700 0.120 0.000 0.746 362 E HN 0.498 nan 8.360 nan 0.000 0.452 363 H N 0.338 119.460 119.070 0.087 0.000 2.270 363 H HA -0.067 4.488 4.556 -0.001 0.000 0.299 363 H C 2.068 177.482 175.328 0.144 0.000 1.077 363 H CA 2.248 58.358 56.048 0.104 0.000 1.294 363 H CB -0.248 29.573 29.762 0.097 0.000 1.371 363 H HN 0.147 nan 8.280 nan 0.000 0.491 364 I N 0.421 121.059 120.570 0.114 0.000 2.208 364 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 364 I C 1.686 177.827 176.117 0.040 0.000 1.097 364 I CA 1.423 62.759 61.300 0.061 0.000 1.363 364 I CB -0.296 37.699 38.000 -0.008 0.000 1.051 364 I HN 0.368 nan 8.210 nan 0.000 0.413 365 N N 0.203 118.924 118.700 0.034 0.000 2.396 365 N HA -0.107 4.632 4.740 -0.001 0.000 0.180 365 N C 1.879 177.373 175.510 -0.026 0.000 1.028 365 N CA 1.447 54.491 53.050 -0.009 0.000 0.893 365 N CB -0.240 38.236 38.487 -0.019 0.000 0.967 365 N HN 0.402 nan 8.380 nan 0.000 0.440 366 S N -0.818 114.861 115.700 -0.034 0.000 2.524 366 S HA 0.112 4.582 4.470 -0.001 0.000 0.216 366 S C 0.599 175.150 174.600 -0.082 0.000 0.987 366 S CA -0.062 58.111 58.200 -0.044 0.000 0.909 366 S CB 0.239 63.427 63.200 -0.019 0.000 0.781 366 S HN -0.009 nan 8.310 nan 0.000 0.521 367 Q N 1.288 121.004 119.800 -0.140 0.000 2.465 367 Q HA 0.533 4.873 4.340 -0.001 0.000 0.237 367 Q C 0.931 176.797 176.000 -0.223 0.000 1.051 367 Q CA 0.130 55.812 55.803 -0.201 0.000 0.874 367 Q CB 1.166 29.666 28.738 -0.395 0.000 1.207 367 Q HN 0.469 nan 8.270 nan 0.000 0.508 368 A N 2.479 125.237 122.820 -0.103 0.000 1.986 368 A HA -0.268 4.052 4.320 -0.001 0.000 0.220 368 A C 1.612 179.139 177.584 -0.095 0.000 1.171 368 A CA 2.161 54.154 52.037 -0.074 0.000 0.640 368 A CB -0.708 18.273 19.000 -0.031 0.000 0.811 368 A HN 0.882 nan 8.150 nan 0.000 0.451 369 H N -3.600 115.393 119.070 -0.128 0.000 2.489 369 H HA -0.026 4.529 4.556 -0.001 0.000 0.293 369 H C 1.388 176.659 175.328 -0.095 0.000 1.066 369 H CA 1.440 57.401 56.048 -0.146 0.000 1.305 369 H CB -0.540 29.078 29.762 -0.240 0.000 1.386 369 H HN 0.409 nan 8.280 nan 0.000 0.551 370 F N 0.984 120.617 119.950 -0.528 0.000 2.259 370 F HA 0.004 4.531 4.527 -0.001 0.000 0.298 370 F C 0.770 176.511 175.800 -0.098 0.000 1.088 370 F CA 0.711 58.549 58.000 -0.269 0.000 1.358 370 F CB -0.302 38.511 39.000 -0.310 0.000 1.040 370 F HN 0.183 nan 8.300 nan 0.000 0.505 371 N N 0.435 119.177 118.700 0.070 0.000 2.740 371 N HA -0.166 4.574 4.740 -0.001 0.000 0.248 371 N C -1.013 174.484 175.510 -0.023 0.000 1.062 371 N CA 0.466 53.541 53.050 0.042 0.000 0.704 371 N CB -1.572 36.984 38.487 0.115 0.000 0.968 371 N HN 0.035 nan 8.380 nan 0.000 0.547 372 V N 0.592 120.486 119.914 -0.033 0.000 2.735 372 V HA 0.412 4.531 4.120 -0.001 0.000 0.310 372 V C 0.145 176.158 176.094 -0.135 0.000 1.061 372 V CA -0.661 61.570 62.300 -0.115 0.000 0.913 372 V CB 2.478 34.269 31.823 -0.054 0.000 1.005 372 V HN 0.166 nan 8.190 nan 0.000 0.428 373 Q N 3.063 122.724 119.800 -0.231 0.000 2.363 373 Q HA 0.751 5.090 4.340 -0.001 0.000 0.265 373 Q C -0.790 174.952 176.000 -0.430 0.000 1.032 373 Q CA -0.140 55.501 55.803 -0.270 0.000 0.746 373 Q CB 1.572 30.154 28.738 -0.261 0.000 1.237 373 Q HN 0.993 nan 8.270 nan 0.000 0.475 374 A N 4.263 126.817 122.820 -0.443 0.000 2.350 374 A HA 0.918 5.238 4.320 -0.001 0.000 0.324 374 A C -1.202 175.686 177.584 -1.161 0.000 1.118 374 A CA -0.517 51.081 52.037 -0.732 0.000 0.783 374 A CB 1.231 19.978 19.000 -0.422 0.000 1.236 374 A HN 0.756 nan 8.150 nan 0.000 0.457 375 Q N 1.074 120.085 119.800 -1.315 0.000 2.578 375 Q HA 0.438 4.777 4.340 -0.001 0.000 0.284 375 Q C -1.688 173.865 176.000 -0.745 0.000 0.960 375 Q CA -0.688 54.402 55.803 -1.189 0.000 0.809 375 Q CB 0.525 28.928 28.738 -0.559 0.000 1.462 375 Q HN 0.385 nan 8.270 nan 0.000 0.392 376 F N 0.632 120.475 119.950 -0.178 0.000 2.518 376 F HA 0.605 5.132 4.527 -0.001 0.000 0.359 376 F C 1.253 177.096 175.800 0.073 0.000 1.118 376 F CA 1.423 59.459 58.000 0.061 0.000 1.287 376 F CB 0.831 39.930 39.000 0.164 0.000 1.132 376 F HN 0.746 nan 8.300 nan 0.000 0.587 377 G N 0.400 109.386 108.800 0.311 0.000 2.727 377 G HA2 0.617 4.577 3.960 -0.001 0.000 0.289 377 G HA3 0.617 4.577 3.960 -0.001 0.000 0.289 377 G C -1.047 173.866 174.900 0.021 0.000 1.418 377 G CA -0.635 44.594 45.100 0.215 0.000 0.818 377 G HN 0.710 nan 8.290 nan 0.000 0.486 378 T N -1.906 112.582 114.554 -0.110 0.000 2.937 378 T HA 0.467 4.817 4.350 -0.001 0.000 0.283 378 T C 1.286 175.833 174.700 -0.254 0.000 1.012 378 T CA -0.466 61.526 62.100 -0.179 0.000 0.997 378 T CB 1.503 70.279 68.868 -0.153 0.000 1.136 378 T HN 0.538 nan 8.240 nan 0.000 0.551 379 L N 0.538 121.609 121.223 -0.252 0.000 2.046 379 L HA 0.033 4.373 4.340 -0.001 0.000 0.208 379 L C 2.772 179.592 176.870 -0.083 0.000 1.077 379 L CA 1.988 56.703 54.840 -0.209 0.000 0.747 379 L CB -1.164 40.812 42.059 -0.139 0.000 0.896 379 L HN 0.900 nan 8.230 nan 0.000 0.432 380 Q N -0.112 119.671 119.800 -0.027 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.071 178.002 176.000 -0.115 0.000 0.977 380 Q CA 1.956 57.776 55.803 0.030 0.000 0.850 380 Q CB -0.157 28.574 28.738 -0.011 0.000 0.901 380 Q HN 0.634 nan 8.270 nan 0.000 0.429 381 E N -1.166 118.874 120.200 -0.267 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.701 177.834 176.600 -0.778 0.000 0.989 381 E CA 1.156 57.267 56.400 -0.482 0.000 0.800 381 E CB -0.320 29.028 29.700 -0.586 0.000 0.746 381 E HN 0.469 nan 8.360 nan 0.000 0.452 382 Y N 0.733 120.467 120.300 -0.944 0.000 2.097 382 Y HA -0.291 4.258 4.550 -0.001 0.000 0.282 382 Y C 1.918 177.500 175.900 -0.529 0.000 1.152 382 Y CA 1.699 59.283 58.100 -0.860 0.000 1.136 382 Y CB -0.513 37.475 38.460 -0.787 0.000 0.975 382 Y HN -0.056 nan 8.280 nan 0.000 0.498 383 F N 0.824 120.510 119.950 -0.439 0.000 2.171 383 F HA -0.182 4.345 4.527 -0.001 0.000 0.300 383 F C 2.258 177.821 175.800 -0.395 0.000 1.090 383 F CA 1.757 59.472 58.000 -0.475 0.000 1.293 383 F CB -0.839 38.075 39.000 -0.144 0.000 1.013 383 F HN 0.099 nan 8.300 nan 0.000 0.486 384 D N 0.035 120.377 120.400 -0.096 0.000 2.123 384 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 384 D C 2.354 178.574 176.300 -0.134 0.000 0.992 384 D CA 1.498 55.452 54.000 -0.077 0.000 0.833 384 D CB -0.591 40.153 40.800 -0.092 0.000 0.954 384 D HN 0.242 nan 8.370 nan 0.000 0.455 385 A N 0.456 123.135 122.820 -0.234 0.000 1.930 385 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 385 A C 2.520 179.979 177.584 -0.208 0.000 1.175 385 A CA 0.918 52.863 52.037 -0.154 0.000 0.627 385 A CB -0.644 18.338 19.000 -0.029 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.044 119.606 119.914 -0.439 0.000 2.332 386 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 386 V C 2.411 178.321 176.094 -0.306 0.000 1.055 386 V CA 2.134 64.176 62.300 -0.431 0.000 1.038 386 V CB -1.009 30.366 31.823 -0.747 0.000 0.651 386 V HN 0.655 nan 8.190 nan 0.000 0.450 387 H N -0.352 118.598 119.070 -0.200 0.000 2.462 387 H HA -0.057 4.498 4.556 -0.001 0.000 0.292 387 H C 2.403 177.694 175.328 -0.060 0.000 1.049 387 H CA 1.245 57.209 56.048 -0.139 0.000 1.334 387 H CB -0.052 29.586 29.762 -0.206 0.000 1.404 387 H HN 0.559 nan 8.280 nan 0.000 0.544 388 Q N 0.369 120.187 119.800 0.031 0.000 2.084 388 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 388 Q C 2.567 178.586 176.000 0.032 0.000 0.978 388 Q CA 1.317 57.134 55.803 0.023 0.000 0.844 388 Q CB -0.034 28.706 28.738 0.003 0.000 0.898 388 Q HN 0.401 nan 8.270 nan 0.000 0.426 389 A N 1.146 123.981 122.820 0.025 0.000 1.902 389 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 389 A C 1.938 179.557 177.584 0.058 0.000 1.181 389 A CA 1.674 53.740 52.037 0.048 0.000 0.623 389 A CB -0.577 18.455 19.000 0.054 0.000 0.818 389 A HN 0.465 nan 8.150 nan 0.000 0.443 390 E N -0.231 120.021 120.200 0.088 0.000 2.051 390 E HA -0.224 4.126 4.350 -0.001 0.000 0.192 390 E C 2.223 178.866 176.600 0.072 0.000 0.991 390 E CA 1.195 57.657 56.400 0.103 0.000 0.799 390 E CB -0.144 29.730 29.700 0.291 0.000 0.748 390 E HN 0.586 nan 8.360 nan 0.000 0.449 391 R N -0.263 120.281 120.500 0.074 0.000 2.148 391 R HA -0.024 4.316 4.340 -0.001 0.000 0.227 391 R C 2.115 178.435 176.300 0.033 0.000 1.103 391 R CA 0.793 56.922 56.100 0.048 0.000 0.983 391 R CB -0.122 30.201 30.300 0.038 0.000 0.874 391 R HN 0.138 nan 8.270 nan 0.000 0.451 392 A N 0.275 123.117 122.820 0.035 0.000 2.235 392 A HA 0.150 4.470 4.320 -0.001 0.000 0.208 392 A C 1.364 178.962 177.584 0.024 0.000 1.172 392 A CA 0.849 52.904 52.037 0.031 0.000 0.786 392 A CB -0.223 18.801 19.000 0.041 0.000 0.804 392 A HN 0.454 nan 8.150 nan 0.000 0.479 393 G N -1.200 107.611 108.800 0.018 0.000 2.136 393 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.242 393 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.242 393 G C 0.748 175.644 174.900 -0.007 0.000 0.989 393 G CA 0.606 45.707 45.100 0.002 0.000 0.682 393 G HN 0.557 nan 8.290 nan 0.000 0.522 394 Q N -0.516 119.286 119.800 0.004 0.000 2.331 394 Q HA 0.521 4.861 4.340 -0.001 0.000 0.203 394 Q C 1.047 177.027 176.000 -0.033 0.000 0.944 394 Q CA 1.391 57.202 55.803 0.014 0.000 0.892 394 Q CB 0.072 28.854 28.738 0.073 0.000 0.983 394 Q HN 1.331 nan 8.270 nan 0.000 0.482 395 A N 0.922 123.678 122.820 -0.106 0.000 2.589 395 A HA 0.444 4.764 4.320 -0.001 0.000 0.296 395 A C -1.566 175.792 177.584 -0.377 0.000 1.062 395 A CA -0.889 50.989 52.037 -0.266 0.000 0.686 395 A CB 1.215 19.987 19.000 -0.380 0.000 1.282 395 A HN 0.273 nan 8.150 nan 0.000 0.404 396 E N 0.888 120.853 120.200 -0.392 0.000 2.256 396 E HA 0.764 5.114 4.350 -0.001 0.000 0.267 396 E C -1.675 174.694 176.600 -0.384 0.000 0.892 396 E CA -0.574 55.652 56.400 -0.289 0.000 0.775 396 E CB 1.780 31.431 29.700 -0.082 0.000 1.207 396 E HN 0.338 nan 8.360 nan 0.000 0.420 397 F N 1.463 121.518 119.950 0.176 0.000 2.458 397 F HA 0.410 4.937 4.527 -0.000 0.000 0.330 397 F C -1.890 174.007 175.800 0.162 0.000 1.082 397 F CA -2.340 55.785 58.000 0.207 0.000 0.995 397 F CB 1.221 40.419 39.000 0.331 0.000 1.170 397 F HN 0.333 nan 8.300 nan 0.000 0.478 398 P HA 0.181 nan 4.420 nan 0.000 0.274 398 P C -0.639 176.799 177.300 0.229 0.000 1.237 398 P CA -0.372 62.857 63.100 0.215 0.000 0.793 398 P CB 0.944 32.739 31.700 0.157 0.000 0.977 399 T N -0.431 114.212 114.554 0.147 0.000 2.907 399 T HA 0.666 5.016 4.350 -0.001 0.000 0.284 399 T C -0.285 174.445 174.700 0.050 0.000 1.004 399 T CA -0.781 61.398 62.100 0.131 0.000 1.063 399 T CB 0.980 69.904 68.868 0.093 0.000 0.992 399 T HN 0.460 nan 8.240 nan 0.000 0.483 400 L N 1.872 123.127 121.223 0.053 0.000 2.472 400 L HA 0.712 5.052 4.340 -0.001 0.000 0.260 400 L C -0.692 176.173 176.870 -0.007 0.000 0.963 400 L CA -0.411 54.355 54.840 -0.123 0.000 0.829 400 L CB 2.187 43.935 42.059 -0.517 0.000 1.348 400 L HN 1.108 nan 8.230 nan 0.000 0.408 401 S N 2.507 118.158 115.700 -0.081 0.000 2.632 401 S HA 1.064 5.534 4.470 -0.001 0.000 0.289 401 S C -0.314 174.215 174.600 -0.118 0.000 1.115 401 S CA -0.033 58.174 58.200 0.012 0.000 0.889 401 S CB 2.070 65.244 63.200 -0.044 0.000 1.116 401 S HN 1.677 nan 8.310 nan 0.000 0.486 402 G N 0.991 109.780 108.800 -0.018 0.000 2.316 402 G HA2 0.323 4.282 3.960 -0.001 0.000 0.349 402 G HA3 0.323 4.282 3.960 -0.001 0.000 0.349 402 G C -1.802 173.000 174.900 -0.165 0.000 1.274 402 G CA -0.014 44.975 45.100 -0.185 0.000 1.018 402 G HN 1.263 nan 8.290 nan 0.000 0.486 403 D N -1.725 118.442 120.400 -0.388 0.000 2.687 403 D HA 0.756 5.396 4.640 -0.001 0.000 0.264 403 D C -0.665 175.115 176.300 -0.867 0.000 1.091 403 D CA -1.033 52.751 54.000 -0.361 0.000 1.123 403 D CB 1.127 41.903 40.800 -0.039 0.000 1.407 403 D HN 0.390 nan 8.370 nan 0.000 0.591 404 F N -0.472 119.361 119.950 -0.195 0.000 2.679 404 F HA 0.400 4.926 4.527 -0.001 0.000 0.354 404 F C -0.982 174.657 175.800 -0.270 0.000 1.423 404 F CA -0.647 57.240 58.000 -0.188 0.000 1.141 404 F CB 0.191 39.108 39.000 -0.139 0.000 1.168 404 F HN 0.003 nan 8.300 nan 0.000 0.530 405 F N -0.710 119.413 119.950 0.289 0.000 2.561 405 F HA 0.573 5.100 4.527 -0.001 0.000 0.321 405 F C 0.557 176.605 175.800 0.413 0.000 1.065 405 F CA -1.379 56.859 58.000 0.398 0.000 0.934 405 F CB 1.678 40.903 39.000 0.374 0.000 1.215 405 F HN -0.277 nan 8.300 nan 0.000 0.471 406 T N 1.906 116.832 114.554 0.620 0.000 2.806 406 T HA 0.163 4.513 4.350 -0.001 0.000 0.290 406 T C -0.936 174.233 174.700 0.781 0.000 0.966 406 T CA -0.215 62.321 62.100 0.727 0.000 1.060 406 T CB 0.136 69.296 68.868 0.487 0.000 0.927 406 T HN 0.374 nan 8.240 nan 0.000 0.485 407 Y N 3.102 123.733 120.300 0.553 0.000 2.610 407 Y HA 0.394 4.944 4.550 -0.001 0.000 0.332 407 Y C -0.096 175.861 175.900 0.095 0.000 1.201 407 Y CA -1.024 57.227 58.100 0.252 0.000 1.465 407 Y CB 0.064 38.547 38.460 0.039 0.000 1.283 407 Y HN 0.680 nan 8.280 nan 0.000 0.563 408 A N 5.290 127.701 122.820 -0.682 0.000 2.374 408 A HA 0.359 4.679 4.320 -0.001 0.000 0.305 408 A C 0.064 177.052 177.584 -0.993 0.000 1.053 408 A CA -0.254 51.211 52.037 -0.954 0.000 0.726 408 A CB 0.703 18.894 19.000 -1.347 0.000 1.229 408 A HN 0.807 nan 8.150 nan 0.000 0.431 409 D N 1.566 121.517 120.400 -0.749 0.000 2.305 409 D HA 0.031 4.671 4.640 -0.001 0.000 0.206 409 D C 0.528 176.846 176.300 0.030 0.000 0.974 409 D CA 0.584 54.401 54.000 -0.305 0.000 0.871 409 D CB 0.169 40.904 40.800 -0.109 0.000 0.947 409 D HN 0.726 nan 8.370 nan 0.000 0.516 410 R N -1.138 119.317 120.500 -0.075 0.000 2.687 410 R HA 0.340 4.679 4.340 -0.001 0.000 0.265 410 R C 0.150 176.339 176.300 -0.186 0.000 1.048 410 R CA -0.061 55.836 56.100 -0.338 0.000 0.884 410 R CB 0.702 30.883 30.300 -0.198 0.000 1.258 410 R HN 0.007 nan 8.270 nan 0.000 0.469 411 S N 1.087 116.626 115.700 -0.268 0.000 4.046 411 S HA -0.368 4.102 4.470 -0.001 0.000 0.572 411 S C 0.614 175.294 174.600 0.133 0.000 2.022 411 S CA 1.643 59.837 58.200 -0.011 0.000 4.201 411 S CB -1.633 61.549 63.200 -0.030 0.000 0.438 411 S HN 1.062 nan 8.310 nan 0.000 0.618 412 D N 1.624 122.091 120.400 0.111 0.000 2.427 412 D HA 0.192 4.832 4.640 -0.001 0.000 0.224 412 D C -0.167 176.240 176.300 0.177 0.000 1.157 412 D CA -0.299 53.832 54.000 0.218 0.000 0.828 412 D CB -1.543 39.374 40.800 0.194 0.000 0.974 412 D HN 0.631 nan 8.370 nan 0.000 0.498 413 N N 0.931 119.640 118.700 0.015 0.000 2.807 413 N HA 0.060 4.800 4.740 -0.001 0.000 0.259 413 N C -0.946 174.593 175.510 0.047 0.000 1.149 413 N CA -0.336 52.730 53.050 0.027 0.000 1.042 413 N CB 0.183 38.671 38.487 0.002 0.000 1.367 413 N HN 0.133 nan 8.380 nan 0.000 0.516 414 Y N 0.230 120.631 120.300 0.167 0.000 2.316 414 Y HA 0.115 4.664 4.550 -0.001 0.000 0.331 414 Y C 0.088 176.198 175.900 0.351 0.000 1.083 414 Y CA -0.653 57.611 58.100 0.273 0.000 1.206 414 Y CB 0.581 39.145 38.460 0.173 0.000 1.195 414 Y HN 0.400 nan 8.280 nan 0.000 0.497 415 W N 2.485 123.924 121.300 0.230 0.000 1.809 415 W HA 0.226 4.886 4.660 -0.001 0.000 0.399 415 W C 0.824 177.393 176.519 0.083 0.000 0.636 415 W CA -0.602 56.906 57.345 0.272 0.000 2.178 415 W CB -0.449 29.283 29.460 0.453 0.000 1.632 415 W HN 0.549 nan 8.180 nan 0.000 0.470 416 S N -2.090 113.645 115.700 0.059 0.000 2.556 416 S HA 0.130 4.599 4.470 -0.001 0.000 0.216 416 S C 1.951 176.270 174.600 -0.468 0.000 0.970 416 S CA 0.324 58.187 58.200 -0.560 0.000 0.912 416 S CB 0.180 63.371 63.200 -0.014 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.504 417 G N 2.076 110.809 108.800 -0.112 0.000 2.402 417 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 417 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 417 G C 1.255 176.133 174.900 -0.036 0.000 1.162 417 G CA 0.909 45.959 45.100 -0.083 0.000 0.777 417 G HN 0.794 nan 8.290 nan 0.000 0.539 418 Y N -0.367 119.903 120.300 -0.049 0.000 2.632 418 Y HA 0.148 4.697 4.550 -0.001 0.000 0.301 418 Y C 1.768 177.792 175.900 0.207 0.000 1.172 418 Y CA -0.357 57.793 58.100 0.085 0.000 1.328 418 Y CB -0.378 38.212 38.460 0.217 0.000 1.016 418 Y HN 0.188 nan 8.280 nan 0.000 0.529 419 Y N 0.553 120.647 120.300 -0.344 0.000 2.574 419 Y HA -0.015 4.535 4.550 -0.001 0.000 0.294 419 Y C 1.675 177.526 175.900 -0.081 0.000 1.142 419 Y CA 0.580 58.508 58.100 -0.287 0.000 1.314 419 Y CB -0.713 37.611 38.460 -0.226 0.000 0.991 419 Y HN 0.307 nan 8.280 nan 0.000 0.555 420 T N -2.806 111.815 114.554 0.113 0.000 2.980 420 T HA 0.079 4.429 4.350 -0.001 0.000 0.252 420 T C 0.709 175.497 174.700 0.146 0.000 0.962 420 T CA -0.080 62.088 62.100 0.112 0.000 0.932 420 T CB 0.023 68.927 68.868 0.060 0.000 1.188 420 T HN -0.066 nan 8.240 nan 0.000 0.500 421 S N 2.487 118.271 115.700 0.141 0.000 2.558 421 S HA 0.193 4.663 4.470 -0.001 0.000 0.293 421 S C 0.403 175.139 174.600 0.227 0.000 1.292 421 S CA 0.006 58.301 58.200 0.158 0.000 1.063 421 S CB 0.086 63.367 63.200 0.134 0.000 0.831 421 S HN 0.405 nan 8.310 nan 0.000 0.499 422 R N 0.952 121.603 120.500 0.252 0.000 3.205 422 R HA -0.120 4.219 4.340 -0.001 0.000 0.249 422 R C -2.023 174.527 176.300 0.417 0.000 0.937 422 R CA 0.685 57.010 56.100 0.374 0.000 0.641 422 R CB -1.827 28.725 30.300 0.420 0.000 1.114 422 R HN 0.506 nan 8.270 nan 0.000 0.451 423 P HA -0.212 nan 4.420 nan 0.000 0.223 423 P C 1.109 178.622 177.300 0.354 0.000 1.151 423 P CA 0.918 64.237 63.100 0.365 0.000 0.787 423 P CB -0.018 31.940 31.700 0.430 0.000 0.788 424 Y N 1.535 121.928 120.300 0.156 0.000 2.165 424 Y HA -0.259 4.290 4.550 -0.001 0.000 0.286 424 Y C 2.237 178.125 175.900 -0.020 0.000 1.155 424 Y CA 2.082 60.187 58.100 0.008 0.000 1.164 424 Y CB -0.926 37.408 38.460 -0.209 0.000 0.978 424 Y HN 0.070 nan 8.280 nan 0.000 0.513 425 H N -0.967 118.343 119.070 0.400 0.000 2.470 425 H HA 0.038 4.594 4.556 -0.001 0.000 0.289 425 H C 2.054 177.534 175.328 0.254 0.000 1.033 425 H CA 1.173 57.383 56.048 0.269 0.000 1.331 425 H CB -0.060 29.927 29.762 0.375 0.000 1.414 425 H HN 0.232 nan 8.280 nan 0.000 0.545 426 K N 0.398 121.024 120.400 0.376 0.000 2.057 426 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 426 K C 2.247 178.910 176.600 0.106 0.000 1.049 426 K CA 1.222 57.668 56.287 0.265 0.000 0.931 426 K CB 0.070 32.703 32.500 0.221 0.000 0.714 426 K HN 0.025 nan 8.250 nan 0.000 0.440 427 R N 1.376 121.909 120.500 0.055 0.000 2.075 427 R HA -0.019 4.321 4.340 -0.001 0.000 0.232 427 R C 2.059 178.132 176.300 -0.378 0.000 1.126 427 R CA 1.483 57.547 56.100 -0.061 0.000 0.963 427 R CB -0.448 29.907 30.300 0.093 0.000 0.858 427 R HN 0.158 nan 8.270 nan 0.000 0.435 428 M N 0.275 119.518 119.600 -0.595 0.000 2.149 428 M HA -0.211 4.268 4.480 -0.001 0.000 0.261 428 M C 1.454 177.438 176.300 -0.527 0.000 1.064 428 M CA 2.425 57.127 55.300 -0.997 0.000 1.102 428 M CB -0.333 31.870 32.600 -0.661 0.000 1.369 428 M HN 0.289 nan 8.290 nan 0.000 0.408 429 D N -0.319 119.958 120.400 -0.206 0.000 2.133 429 D HA -0.216 4.424 4.640 -0.001 0.000 0.195 429 D C 1.891 178.121 176.300 -0.116 0.000 0.997 429 D CA 1.431 55.409 54.000 -0.037 0.000 0.840 429 D CB 0.128 41.051 40.800 0.206 0.000 0.947 429 D HN 0.215 nan 8.370 nan 0.000 0.452 430 R N 0.033 120.442 120.500 -0.150 0.000 2.115 430 R HA 0.003 4.342 4.340 -0.001 0.000 0.226 430 R C 2.425 178.605 176.300 -0.200 0.000 1.100 430 R CA 0.400 56.407 56.100 -0.155 0.000 0.980 430 R CB -0.937 29.288 30.300 -0.126 0.000 0.875 430 R HN 0.255 nan 8.270 nan 0.000 0.445 431 V N 1.584 121.313 119.914 -0.308 0.000 2.261 431 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 431 V C 2.385 178.420 176.094 -0.099 0.000 1.047 431 V CA 1.610 63.748 62.300 -0.271 0.000 1.015 431 V CB -0.612 30.829 31.823 -0.635 0.000 0.642 431 V HN 0.140 nan 8.190 nan 0.000 0.446 432 L N -0.382 120.733 121.223 -0.180 0.000 2.083 432 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 432 L C 2.327 179.155 176.870 -0.069 0.000 1.083 432 L CA 2.092 56.888 54.840 -0.073 0.000 0.752 432 L CB -0.690 41.290 42.059 -0.131 0.000 0.899 432 L HN 0.348 nan 8.230 nan 0.000 0.433 433 M N -1.330 118.202 119.600 -0.114 0.000 2.082 433 M HA -0.336 4.144 4.480 -0.001 0.000 0.258 433 M C 2.378 178.580 176.300 -0.163 0.000 1.069 433 M CA 2.455 57.666 55.300 -0.147 0.000 1.102 433 M CB -0.417 32.063 32.600 -0.201 0.000 1.336 433 M HN 0.561 nan 8.290 nan 0.000 0.404 434 H N -0.762 118.159 119.070 -0.247 0.000 2.363 434 H HA -0.150 4.405 4.556 -0.001 0.000 0.301 434 H C 1.467 176.619 175.328 -0.294 0.000 1.074 434 H CA 2.332 58.198 56.048 -0.304 0.000 1.354 434 H CB -0.394 29.123 29.762 -0.408 0.000 1.397 434 H HN 0.487 nan 8.280 nan 0.000 0.516 435 Y N -0.420 119.735 120.300 -0.242 0.000 2.224 435 Y HA -0.158 4.392 4.550 -0.001 0.000 0.289 435 Y C 2.729 178.505 175.900 -0.207 0.000 1.146 435 Y CA 1.229 59.191 58.100 -0.229 0.000 1.182 435 Y CB -0.525 37.865 38.460 -0.117 0.000 0.983 435 Y HN 0.118 nan 8.280 nan 0.000 0.524 436 V N 0.148 120.025 119.914 -0.062 0.000 2.295 436 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 436 V C 2.519 178.544 176.094 -0.116 0.000 1.049 436 V CA 2.187 64.439 62.300 -0.081 0.000 1.024 436 V CB -0.592 31.177 31.823 -0.089 0.000 0.648 436 V HN 0.316 nan 8.190 nan 0.000 0.447 437 R N 0.446 120.842 120.500 -0.173 0.000 2.083 437 R HA -0.186 4.153 4.340 -0.001 0.000 0.237 437 R C 2.257 178.485 176.300 -0.119 0.000 1.137 437 R CA 1.945 57.955 56.100 -0.150 0.000 0.951 437 R CB -0.516 29.682 30.300 -0.171 0.000 0.851 437 R HN 0.456 nan 8.270 nan 0.000 0.434 438 A N 0.685 123.376 122.820 -0.216 0.000 1.902 438 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 438 A C 2.390 179.972 177.584 -0.003 0.000 1.181 438 A CA 1.602 53.609 52.037 -0.050 0.000 0.623 438 A CB -0.771 18.152 19.000 -0.129 0.000 0.818 438 A HN 0.582 nan 8.150 nan 0.000 0.443 439 A N -0.112 122.699 122.820 -0.015 0.000 1.877 439 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 439 A C 1.943 179.501 177.584 -0.045 0.000 1.186 439 A CA 1.610 53.639 52.037 -0.012 0.000 0.620 439 A CB -0.540 18.451 19.000 -0.016 0.000 0.822 439 A HN 0.623 nan 8.150 nan 0.000 0.443 440 E N -1.026 119.137 120.200 -0.061 0.000 2.072 440 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 440 E C 2.069 178.615 176.600 -0.090 0.000 0.985 440 E CA 1.337 57.688 56.400 -0.082 0.000 0.801 440 E CB -0.252 29.396 29.700 -0.086 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.452 441 M N 0.711 120.280 119.600 -0.051 0.000 2.099 441 M HA -0.138 4.342 4.480 -0.001 0.000 0.262 441 M C 2.167 178.466 176.300 -0.001 0.000 1.067 441 M CA 1.309 56.578 55.300 -0.052 0.000 1.124 441 M CB 0.048 32.711 32.600 0.106 0.000 1.353 441 M HN 0.075 nan 8.290 nan 0.000 0.410 442 L N 0.072 121.354 121.223 0.098 0.000 2.079 442 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 442 L C 2.624 179.660 176.870 0.277 0.000 1.081 442 L CA 1.722 56.679 54.840 0.196 0.000 0.752 442 L CB -0.560 41.476 42.059 -0.038 0.000 0.896 442 L HN 0.509 nan 8.230 nan 0.000 0.433 443 S N -0.967 114.817 115.700 0.141 0.000 2.527 443 S HA 0.065 4.534 4.470 -0.001 0.000 0.222 443 S C 1.991 176.764 174.600 0.287 0.000 0.985 443 S CA 0.389 58.744 58.200 0.259 0.000 0.921 443 S CB -0.001 63.164 63.200 -0.059 0.000 0.772 443 S HN 0.297 nan 8.310 nan 0.000 0.529 444 A N 0.980 123.791 122.820 -0.016 0.000 2.015 444 A HA 0.078 4.397 4.320 -0.001 0.000 0.219 444 A C 1.714 179.188 177.584 -0.184 0.000 1.163 444 A CA 0.833 52.762 52.037 -0.180 0.000 0.646 444 A CB -1.196 17.540 19.000 -0.440 0.000 0.806 444 A HN 0.762 nan 8.150 nan 0.000 0.448 445 W N -0.625 120.684 121.300 0.015 0.000 2.392 445 W HA -0.032 4.628 4.660 -0.001 0.000 0.279 445 W C 0.899 177.209 176.519 -0.347 0.000 1.225 445 W CA 1.005 58.259 57.345 -0.151 0.000 1.233 445 W CB -0.187 29.136 29.460 -0.227 0.000 1.122 445 W HN 0.396 nan 8.180 nan 0.000 0.561 446 H N -2.185 116.950 119.070 0.108 0.000 2.670 446 H HA 0.353 4.909 4.556 -0.001 0.000 0.361 446 H C -0.330 174.903 175.328 -0.159 0.000 1.169 446 H CA -0.929 55.019 56.048 -0.168 0.000 1.198 446 H CB 1.718 31.123 29.762 -0.594 0.000 1.700 446 H HN -0.423 nan 8.280 nan 0.000 0.542 447 S N 1.046 116.711 115.700 -0.058 0.000 2.537 447 S HA 0.272 4.741 4.470 -0.001 0.000 0.275 447 S C -1.302 173.208 174.600 -0.150 0.000 1.272 447 S CA -0.637 57.553 58.200 -0.017 0.000 1.050 447 S CB 0.177 63.374 63.200 -0.005 0.000 0.961 447 S HN 0.415 nan 8.310 nan 0.000 0.496 448 W N 2.439 123.746 121.300 0.011 0.000 2.666 448 W HA 0.359 5.018 4.660 -0.001 0.000 0.334 448 W C -0.033 176.449 176.519 -0.063 0.000 1.051 448 W CA -0.789 56.536 57.345 -0.034 0.000 1.224 448 W CB 0.710 30.115 29.460 -0.092 0.000 1.405 448 W HN 0.646 nan 8.180 nan 0.000 0.513 449 D N 0.758 121.248 120.400 0.149 0.000 2.449 449 D HA 0.135 4.775 4.640 -0.001 0.000 0.236 449 D C 1.645 177.950 176.300 0.008 0.000 1.149 449 D CA 1.174 55.219 54.000 0.076 0.000 0.878 449 D CB 1.263 42.132 40.800 0.115 0.000 1.198 449 D HN 0.546 nan 8.370 nan 0.000 0.446 450 G N 2.858 111.671 108.800 0.021 0.000 2.450 450 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.220 450 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.220 450 G C 1.296 176.175 174.900 -0.036 0.000 1.130 450 G CA 0.463 45.562 45.100 -0.001 0.000 0.760 450 G HN 0.477 nan 8.290 nan 0.000 0.557 451 M N 1.023 120.612 119.600 -0.018 0.000 2.460 451 M HA 0.129 4.609 4.480 -0.001 0.000 0.263 451 M C 2.733 178.956 176.300 -0.128 0.000 1.071 451 M CA 0.655 55.966 55.300 0.019 0.000 1.096 451 M CB -0.839 31.867 32.600 0.178 0.000 1.408 451 M HN 0.310 nan 8.290 nan 0.000 0.463 452 A N -0.043 122.458 122.820 -0.532 0.000 2.167 452 A HA -0.027 4.293 4.320 -0.001 0.000 0.214 452 A C 1.230 178.602 177.584 -0.353 0.000 1.151 452 A CA 0.324 51.824 52.037 -0.894 0.000 0.735 452 A CB -0.366 17.939 19.000 -1.158 0.000 0.802 452 A HN 0.586 nan 8.150 nan 0.000 0.467 453 R N -1.700 118.675 120.500 -0.209 0.000 3.641 453 R HA -0.184 4.156 4.340 -0.001 0.000 0.286 453 R C 0.673 176.865 176.300 -0.181 0.000 1.153 453 R CA 0.760 56.780 56.100 -0.132 0.000 0.775 453 R CB -2.120 28.136 30.300 -0.072 0.000 1.215 453 R HN 0.481 nan 8.270 nan 0.000 0.474 454 I N 0.500 120.911 120.570 -0.265 0.000 2.193 454 I HA -0.177 3.992 4.170 -0.001 0.000 0.240 454 I C 2.139 178.134 176.117 -0.204 0.000 1.084 454 I CA 1.637 62.734 61.300 -0.339 0.000 1.365 454 I CB -0.709 36.935 38.000 -0.592 0.000 1.064 454 I HN 0.190 nan 8.210 nan 0.000 0.410 455 E N 0.782 120.901 120.200 -0.136 0.000 2.118 455 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 455 E C 2.083 178.638 176.600 -0.075 0.000 0.992 455 E CA 1.323 57.672 56.400 -0.085 0.000 0.804 455 E CB -0.241 29.433 29.700 -0.043 0.000 0.741 455 E HN 0.486 nan 8.360 nan 0.000 0.458 456 E N 0.410 120.568 120.200 -0.070 0.000 2.031 456 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 456 E C 1.950 178.509 176.600 -0.068 0.000 0.994 456 E CA 1.079 57.447 56.400 -0.054 0.000 0.800 456 E CB 0.087 29.761 29.700 -0.043 0.000 0.752 456 E HN -0.027 nan 8.360 nan 0.000 0.447 457 R N 0.277 120.724 120.500 -0.088 0.000 2.092 457 R HA 0.008 4.347 4.340 -0.001 0.000 0.231 457 R C 2.378 178.622 176.300 -0.092 0.000 1.119 457 R CA 0.872 56.920 56.100 -0.087 0.000 0.970 457 R CB -0.434 29.807 30.300 -0.099 0.000 0.864 457 R HN 0.285 nan 8.270 nan 0.000 0.440 458 L N -0.154 121.005 121.223 -0.106 0.000 2.093 458 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 458 L C 2.354 179.163 176.870 -0.102 0.000 1.085 458 L CA 1.422 56.200 54.840 -0.103 0.000 0.755 458 L CB -0.415 41.578 42.059 -0.109 0.000 0.904 458 L HN 0.295 nan 8.230 nan 0.000 0.435 459 E N 0.238 120.381 120.200 -0.095 0.000 2.077 459 E HA -0.308 4.042 4.350 -0.001 0.000 0.193 459 E C 2.206 178.728 176.600 -0.130 0.000 0.989 459 E CA 1.368 57.702 56.400 -0.110 0.000 0.800 459 E CB -0.013 29.643 29.700 -0.073 0.000 0.746 459 E HN 0.433 nan 8.360 nan 0.000 0.452 460 Q N 0.056 119.799 119.800 -0.096 0.000 2.061 460 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 460 Q C 2.100 178.044 176.000 -0.094 0.000 0.984 460 Q CA 1.742 57.494 55.803 -0.085 0.000 0.846 460 Q CB -0.260 28.442 28.738 -0.060 0.000 0.902 460 Q HN 0.354 nan 8.270 nan 0.000 0.421 461 A N 1.045 123.811 122.820 -0.090 0.000 1.902 461 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 461 A C 2.093 179.614 177.584 -0.105 0.000 1.181 461 A CA 1.462 53.449 52.037 -0.083 0.000 0.623 461 A CB -0.511 18.444 19.000 -0.075 0.000 0.818 461 A HN 0.388 nan 8.150 nan 0.000 0.443 462 R N -0.833 119.585 120.500 -0.137 0.000 2.096 462 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 462 R C 2.424 178.574 176.300 -0.249 0.000 1.127 462 R CA 1.581 57.576 56.100 -0.175 0.000 0.968 462 R CB -0.256 29.928 30.300 -0.193 0.000 0.861 462 R HN 0.486 nan 8.270 nan 0.000 0.440 463 R N 0.168 120.488 120.500 -0.300 0.000 2.093 463 R HA -0.049 4.291 4.340 -0.001 0.000 0.224 463 R C 2.038 178.265 176.300 -0.121 0.000 1.101 463 R CA 0.816 56.659 56.100 -0.428 0.000 0.979 463 R CB 0.076 30.126 30.300 -0.417 0.000 0.877 463 R HN 0.170 nan 8.270 nan 0.000 0.441 464 E N 0.813 120.980 120.200 -0.054 0.000 2.107 464 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 464 E C 1.955 178.591 176.600 0.060 0.000 0.982 464 E CA 0.721 57.139 56.400 0.029 0.000 0.809 464 E CB -0.210 29.497 29.700 0.012 0.000 0.756 464 E HN 0.142 nan 8.360 nan 0.000 0.459 465 L N 1.264 122.491 121.223 0.006 0.000 2.056 465 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 465 L C 2.157 179.076 176.870 0.082 0.000 1.078 465 L CA 1.602 56.465 54.840 0.039 0.000 0.749 465 L CB -0.615 41.432 42.059 -0.021 0.000 0.901 465 L HN -0.094 nan 8.230 nan 0.000 0.433 466 S N -0.443 115.269 115.700 0.020 0.000 2.368 466 S HA -0.185 4.284 4.470 -0.001 0.000 0.225 466 S C 1.856 176.604 174.600 0.246 0.000 1.030 466 S CA 1.548 59.795 58.200 0.077 0.000 0.999 466 S CB -0.569 62.574 63.200 -0.094 0.000 0.844 466 S HN 0.444 nan 8.310 nan 0.000 0.459 467 L N 0.585 121.997 121.223 0.315 0.000 2.042 467 L HA -0.036 4.303 4.340 -0.001 0.000 0.210 467 L C 1.884 178.868 176.870 0.190 0.000 1.076 467 L CA 1.599 56.620 54.840 0.302 0.000 0.749 467 L CB -0.551 41.659 42.059 0.252 0.000 0.893 467 L HN 0.296 nan 8.230 nan 0.000 0.432 468 F N -0.429 119.503 119.950 -0.031 0.000 2.604 468 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 468 F C 2.192 177.917 175.800 -0.125 0.000 1.131 468 F CA 0.783 58.650 58.000 -0.221 0.000 1.457 468 F CB -0.203 38.704 39.000 -0.155 0.000 1.095 468 F HN 0.234 nan 8.300 nan 0.000 0.574 469 Q N -0.390 119.383 119.800 -0.044 0.000 2.437 469 Q HA -0.151 4.189 4.340 -0.001 0.000 0.210 469 Q C 0.574 176.517 176.000 -0.095 0.000 0.972 469 Q CA 0.488 56.239 55.803 -0.087 0.000 0.903 469 Q CB -1.301 27.455 28.738 0.030 0.000 0.967 469 Q HN 0.505 nan 8.270 nan 0.000 0.486 470 H N 2.046 121.011 119.070 -0.175 0.000 3.058 470 H HA -0.120 4.435 4.556 -0.001 0.000 0.347 470 H C 1.309 176.493 175.328 -0.239 0.000 1.087 470 H CA 0.779 56.722 56.048 -0.175 0.000 1.375 470 H CB 0.558 30.233 29.762 -0.144 0.000 1.312 470 H HN 0.241 nan 8.280 nan 0.000 0.607 471 H N 1.987 120.614 119.070 -0.738 0.000 2.562 471 H HA -0.001 4.555 4.556 -0.001 0.000 0.272 471 H C -0.352 174.559 175.328 -0.694 0.000 1.019 471 H CA 0.727 56.330 56.048 -0.742 0.000 1.160 471 H CB 0.269 29.590 29.762 -0.735 0.000 1.334 471 H HN 0.617 nan 8.280 nan 0.000 0.611 472 D N 0.360 120.100 120.400 -1.100 0.000 2.513 472 D HA 0.129 4.768 4.640 -0.001 0.000 0.222 472 D C 1.543 177.836 176.300 -0.012 0.000 1.210 472 D CA 0.272 54.161 54.000 -0.185 0.000 0.825 472 D CB 0.881 41.827 40.800 0.244 0.000 1.037 472 D HN 0.519 nan 8.370 nan 0.000 0.506 473 G N 1.328 109.898 108.800 -0.383 0.000 2.600 473 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.225 473 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.225 473 G C 1.335 175.631 174.900 -1.007 0.000 1.623 473 G CA -0.207 44.387 45.100 -0.844 0.000 0.903 473 G HN 0.195 nan 8.290 nan 0.000 0.574 474 I N 2.015 121.730 120.570 -1.425 0.000 2.423 474 I HA -0.175 3.994 4.170 -0.001 0.000 0.254 474 I C 2.848 178.872 176.117 -0.154 0.000 1.151 474 I CA 2.058 62.828 61.300 -0.884 0.000 1.421 474 I CB -0.036 37.631 38.000 -0.555 0.000 1.079 474 I HN 0.374 nan 8.210 nan 0.000 0.431 475 T N -1.735 112.777 114.554 -0.071 0.000 3.007 475 T HA 0.043 4.392 4.350 -0.001 0.000 0.270 475 T C 1.538 176.386 174.700 0.246 0.000 1.107 475 T CA 0.603 62.854 62.100 0.251 0.000 1.118 475 T CB -0.475 68.549 68.868 0.261 0.000 0.889 475 T HN 0.632 nan 8.240 nan 0.000 0.506 476 G N 1.476 110.374 108.800 0.164 0.000 2.176 476 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.252 476 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.252 476 G C 0.566 175.540 174.900 0.122 0.000 1.024 476 G CA 0.653 45.870 45.100 0.195 0.000 0.755 476 G HN 1.135 nan 8.290 nan 0.000 0.507 477 T N -3.419 111.200 114.554 0.108 0.000 3.174 477 T HA 0.737 5.086 4.350 -0.001 0.000 0.269 477 T C 0.887 175.778 174.700 0.318 0.000 1.017 477 T CA 1.052 63.146 62.100 -0.010 0.000 0.899 477 T CB 0.960 69.633 68.868 -0.324 0.000 1.077 477 T HN 1.563 nan 8.240 nan 0.000 0.552 478 A N 1.256 124.282 122.820 0.344 0.000 2.269 478 A HA 0.696 5.016 4.320 -0.001 0.000 0.327 478 A C 0.186 177.867 177.584 0.161 0.000 1.112 478 A CA -0.945 51.321 52.037 0.382 0.000 0.865 478 A CB 0.891 20.159 19.000 0.447 0.000 1.227 478 A HN 0.388 nan 8.150 nan 0.000 0.498 479 K N -0.263 120.161 120.400 0.039 0.000 2.276 479 K HA 0.162 4.482 4.320 -0.001 0.000 0.259 479 K C 1.091 177.703 176.600 0.021 0.000 1.001 479 K CA 0.318 56.611 56.287 0.010 0.000 0.927 479 K CB 0.380 32.877 32.500 -0.005 0.000 0.969 479 K HN 0.737 nan 8.250 nan 0.000 0.490 480 T N 1.292 115.888 114.554 0.069 0.000 2.665 480 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 480 T C 1.657 176.396 174.700 0.064 0.000 1.035 480 T CA 1.850 63.995 62.100 0.075 0.000 1.151 480 T CB -0.422 68.498 68.868 0.086 0.000 0.862 480 T HN 0.688 nan 8.240 nan 0.000 0.438 481 H N 0.519 119.586 119.070 -0.006 0.000 2.495 481 H HA 0.110 4.666 4.556 -0.001 0.000 0.287 481 H C 1.987 177.291 175.328 -0.041 0.000 1.033 481 H CA 0.803 56.840 56.048 -0.018 0.000 1.307 481 H CB -0.717 29.029 29.762 -0.026 0.000 1.401 481 H HN 0.278 nan 8.280 nan 0.000 0.555 482 V N 1.093 120.660 119.914 -0.577 0.000 2.407 482 V HA -0.157 3.963 4.120 -0.001 0.000 0.245 482 V C 3.009 178.916 176.094 -0.311 0.000 1.041 482 V CA 1.023 63.009 62.300 -0.524 0.000 1.040 482 V CB -0.387 31.179 31.823 -0.427 0.000 0.671 482 V HN 0.228 nan 8.190 nan 0.000 0.455 483 V N 0.100 119.973 119.914 -0.069 0.000 2.324 483 V HA -0.256 3.864 4.120 -0.001 0.000 0.250 483 V C 2.464 178.545 176.094 -0.021 0.000 1.060 483 V CA 2.042 64.362 62.300 0.033 0.000 1.042 483 V CB -0.582 31.224 31.823 -0.028 0.000 0.650 483 V HN 0.418 nan 8.190 nan 0.000 0.450 484 V N 0.340 120.247 119.914 -0.012 0.000 2.343 484 V HA -0.303 3.817 4.120 -0.001 0.000 0.247 484 V C 2.304 178.417 176.094 0.031 0.000 1.051 484 V CA 2.440 64.764 62.300 0.040 0.000 1.036 484 V CB -0.689 31.167 31.823 0.055 0.000 0.654 484 V HN 0.646 nan 8.190 nan 0.000 0.451 485 D N -1.045 119.326 120.400 -0.047 0.000 2.117 485 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 485 D C 2.001 178.313 176.300 0.020 0.000 0.987 485 D CA 1.517 55.485 54.000 -0.053 0.000 0.829 485 D CB -0.164 40.542 40.800 -0.157 0.000 0.961 485 D HN 0.495 nan 8.370 nan 0.000 0.460 486 Y N 0.977 121.321 120.300 0.074 0.000 2.181 486 Y HA -0.071 4.479 4.550 -0.001 0.000 0.288 486 Y C 2.437 178.320 175.900 -0.028 0.000 1.146 486 Y CA 1.264 59.407 58.100 0.072 0.000 1.164 486 Y CB -0.788 37.795 38.460 0.204 0.000 0.982 486 Y HN 0.149 nan 8.280 nan 0.000 0.515 487 E N 0.108 120.416 120.200 0.181 0.000 2.051 487 E HA -0.260 4.089 4.350 -0.001 0.000 0.192 487 E C 2.019 178.703 176.600 0.140 0.000 0.991 487 E CA 1.451 57.971 56.400 0.201 0.000 0.799 487 E CB -0.054 29.848 29.700 0.338 0.000 0.748 487 E HN 0.576 nan 8.360 nan 0.000 0.449 488 Q N -0.092 119.776 119.800 0.113 0.000 2.084 488 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 488 Q C 2.332 178.370 176.000 0.065 0.000 0.978 488 Q CA 1.376 57.227 55.803 0.081 0.000 0.844 488 Q CB -0.074 28.702 28.738 0.064 0.000 0.898 488 Q HN 0.193 nan 8.270 nan 0.000 0.426 489 R N 0.035 120.578 120.500 0.072 0.000 2.081 489 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 489 R C 2.262 178.580 176.300 0.031 0.000 1.131 489 R CA 1.423 57.558 56.100 0.057 0.000 0.960 489 R CB -0.147 30.211 30.300 0.097 0.000 0.856 489 R HN 0.295 nan 8.270 nan 0.000 0.436 490 M N -0.080 119.530 119.600 0.016 0.000 2.229 490 M HA -0.155 4.324 4.480 -0.001 0.000 0.264 490 M C 2.279 178.574 176.300 -0.009 0.000 1.063 490 M CA 1.305 56.583 55.300 -0.036 0.000 1.114 490 M CB -0.106 32.414 32.600 -0.134 0.000 1.387 490 M HN 0.037 nan 8.290 nan 0.000 0.420 491 Q N 0.957 120.781 119.800 0.040 0.000 2.124 491 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 491 Q C 1.727 177.736 176.000 0.014 0.000 0.977 491 Q CA 1.613 57.448 55.803 0.053 0.000 0.850 491 Q CB -0.058 28.730 28.738 0.083 0.000 0.901 491 Q HN 0.323 nan 8.270 nan 0.000 0.429 492 E N -0.203 120.003 120.200 0.010 0.000 2.106 492 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 492 E C 1.824 178.409 176.600 -0.025 0.000 0.984 492 E CA 1.150 57.547 56.400 -0.006 0.000 0.806 492 E CB -0.462 29.238 29.700 0.000 0.000 0.750 492 E HN 0.461 nan 8.360 nan 0.000 0.458 493 A N 1.143 123.945 122.820 -0.029 0.000 1.902 493 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 493 A C 2.397 179.945 177.584 -0.060 0.000 1.181 493 A CA 1.009 53.019 52.037 -0.045 0.000 0.623 493 A CB -0.702 18.270 19.000 -0.046 0.000 0.818 493 A HN 0.184 nan 8.150 nan 0.000 0.443 494 L N -0.670 120.511 121.223 -0.069 0.000 2.042 494 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 494 L C 2.590 179.382 176.870 -0.130 0.000 1.076 494 L CA 1.798 56.565 54.840 -0.121 0.000 0.749 494 L CB -0.420 41.567 42.059 -0.120 0.000 0.893 494 L HN 0.364 nan 8.230 nan 0.000 0.432 495 K N -0.158 120.193 120.400 -0.082 0.000 2.097 495 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 495 K C 2.245 178.806 176.600 -0.066 0.000 1.050 495 K CA 1.234 57.478 56.287 -0.073 0.000 0.938 495 K CB -0.233 32.238 32.500 -0.047 0.000 0.718 495 K HN 0.288 nan 8.250 nan 0.000 0.442 496 A N 1.150 123.934 122.820 -0.060 0.000 1.877 496 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 496 A C 2.431 179.978 177.584 -0.061 0.000 1.186 496 A CA 1.525 53.526 52.037 -0.059 0.000 0.620 496 A CB -1.014 17.950 19.000 -0.060 0.000 0.822 496 A HN 0.406 nan 8.150 nan 0.000 0.443 497 C N -0.984 118.280 119.300 -0.061 0.000 2.429 497 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 497 C C 2.876 177.856 174.990 -0.016 0.000 1.262 497 C CA 1.279 60.277 59.018 -0.034 0.000 1.733 497 C CB -1.307 26.431 27.740 -0.002 0.000 2.010 497 C HN 0.795 nan 8.230 nan 0.000 0.483 498 Q N 0.258 120.018 119.800 -0.067 0.000 2.061 498 Q HA -0.280 4.059 4.340 -0.001 0.000 0.204 498 Q C 2.170 178.198 176.000 0.046 0.000 0.984 498 Q CA 2.055 57.841 55.803 -0.028 0.000 0.846 498 Q CB -0.279 28.403 28.738 -0.094 0.000 0.902 498 Q HN 0.585 nan 8.270 nan 0.000 0.421 499 M N -0.107 119.494 119.600 0.001 0.000 2.080 499 M HA -0.141 4.339 4.480 -0.001 0.000 0.260 499 M C 1.855 178.162 176.300 0.011 0.000 1.068 499 M CA 1.594 56.901 55.300 0.011 0.000 1.109 499 M CB -0.489 32.098 32.600 -0.022 0.000 1.342 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.169 120.056 119.914 -0.044 0.000 2.358 500 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 500 V C 2.426 178.496 176.094 -0.040 0.000 1.047 500 V CA 2.169 64.395 62.300 -0.123 0.000 1.035 500 V CB -0.696 31.030 31.823 -0.161 0.000 0.658 500 V HN 0.555 nan 8.190 nan 0.000 0.452 501 M N 0.295 119.935 119.600 0.066 0.000 2.080 501 M HA -0.267 4.213 4.480 -0.001 0.000 0.260 501 M C 2.379 178.763 176.300 0.140 0.000 1.068 501 M CA 2.459 57.854 55.300 0.158 0.000 1.109 501 M CB -0.482 32.343 32.600 0.374 0.000 1.342 501 M HN 0.542 nan 8.290 nan 0.000 0.405 502 Q N -0.305 119.651 119.800 0.261 0.000 2.172 502 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 502 Q C 1.812 178.003 176.000 0.318 0.000 0.964 502 Q CA 1.098 57.071 55.803 0.283 0.000 0.855 502 Q CB -0.605 28.401 28.738 0.446 0.000 0.918 502 Q HN 0.408 nan 8.270 nan 0.000 0.444 503 Q N 0.595 120.565 119.800 0.284 0.000 2.124 503 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 503 Q C 2.243 178.507 176.000 0.441 0.000 0.977 503 Q CA 1.734 57.777 55.803 0.399 0.000 0.850 503 Q CB -0.214 28.663 28.738 0.232 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.429 504 S N 0.303 116.155 115.700 0.254 0.000 2.368 504 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 504 S C 2.208 176.877 174.600 0.115 0.000 1.029 504 S CA 0.985 59.383 58.200 0.330 0.000 0.988 504 S CB -0.190 63.133 63.200 0.205 0.000 0.838 504 S HN 0.130 nan 8.310 nan 0.000 0.462 505 V N 0.727 120.578 119.914 -0.105 0.000 2.343 505 V HA -0.191 3.929 4.120 -0.001 0.000 0.247 505 V C 1.992 178.093 176.094 0.012 0.000 1.051 505 V CA 1.776 63.889 62.300 -0.313 0.000 1.036 505 V CB -0.743 30.468 31.823 -1.021 0.000 0.654 505 V HN 0.520 nan 8.190 nan 0.000 0.451 506 Y N 1.106 121.483 120.300 0.128 0.000 2.181 506 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 506 Y C 2.745 178.724 175.900 0.132 0.000 1.146 506 Y CA 2.192 60.447 58.100 0.258 0.000 1.164 506 Y CB -0.274 38.248 38.460 0.103 0.000 0.982 506 Y HN 0.098 nan 8.280 nan 0.000 0.515 507 R N -0.301 120.178 120.500 -0.035 0.000 2.090 507 R HA -0.080 4.260 4.340 -0.001 0.000 0.228 507 R C 2.100 178.121 176.300 -0.465 0.000 1.110 507 R CA 1.398 57.122 56.100 -0.627 0.000 0.973 507 R CB -0.341 29.571 30.300 -0.647 0.000 0.869 507 R HN 0.419 nan 8.270 nan 0.000 0.440 508 L N 0.269 121.357 121.223 -0.225 0.000 2.291 508 L HA -0.058 4.282 4.340 -0.001 0.000 0.214 508 L C 1.395 178.152 176.870 -0.188 0.000 1.120 508 L CA 0.812 55.474 54.840 -0.295 0.000 0.799 508 L CB 0.137 41.844 42.059 -0.586 0.000 0.925 508 L HN 0.234 nan 8.230 nan 0.000 0.446 509 L N -1.366 119.834 121.223 -0.039 0.000 3.122 509 L HA 0.223 4.562 4.340 -0.001 0.000 0.274 509 L C -0.204 176.700 176.870 0.057 0.000 1.222 509 L CA -0.112 54.781 54.840 0.088 0.000 1.028 509 L CB 0.587 42.852 42.059 0.345 0.000 1.386 509 L HN -0.013 nan 8.230 nan 0.000 0.578 510 T N 0.154 114.662 114.554 -0.076 0.000 2.829 510 T HA 0.186 4.535 4.350 -0.001 0.000 0.280 510 T C -0.118 174.491 174.700 -0.151 0.000 0.999 510 T CA -0.548 61.477 62.100 -0.124 0.000 0.983 510 T CB 2.352 71.083 68.868 -0.228 0.000 0.968 510 T HN 0.016 nan 8.240 nan 0.000 0.446 511 K N 3.844 124.167 120.400 -0.128 0.000 2.504 511 K HA -0.013 4.306 4.320 -0.001 0.000 0.278 511 K C -1.725 174.840 176.600 -0.059 0.000 1.025 511 K CA -1.046 55.185 56.287 -0.093 0.000 1.093 511 K CB 0.430 32.881 32.500 -0.082 0.000 0.873 511 K HN 0.177 nan 8.250 nan 0.000 0.483 512 P HA -0.189 nan 4.420 nan 0.000 0.216 512 P C 0.745 178.061 177.300 0.026 0.000 1.150 512 P CA 1.410 64.490 63.100 -0.034 0.000 0.837 512 P CB 0.163 31.835 31.700 -0.046 0.000 0.786 513 S N -2.152 113.552 115.700 0.007 0.000 2.607 513 S HA 0.052 4.521 4.470 -0.001 0.000 0.224 513 S C 1.662 176.273 174.600 0.018 0.000 0.969 513 S CA 0.495 58.703 58.200 0.013 0.000 0.927 513 S CB -1.111 62.088 63.200 -0.001 0.000 0.772 513 S HN 0.110 nan 8.310 nan 0.000 0.533 514 I N -0.755 119.831 120.570 0.027 0.000 3.339 514 I HA 0.201 4.371 4.170 -0.001 0.000 0.285 514 I C 0.617 176.773 176.117 0.065 0.000 1.201 514 I CA -0.347 60.973 61.300 0.033 0.000 1.434 514 I CB -0.059 37.951 38.000 0.018 0.000 1.152 514 I HN 0.262 nan 8.210 nan 0.000 0.443 515 Y N 2.705 122.957 120.300 -0.080 0.000 2.802 515 Y HA -0.015 4.534 4.550 -0.001 0.000 0.333 515 Y C 0.438 176.318 175.900 -0.033 0.000 1.244 515 Y CA 0.005 58.039 58.100 -0.110 0.000 1.558 515 Y CB 0.453 38.806 38.460 -0.177 0.000 1.233 515 Y HN -0.127 nan 8.280 nan 0.000 0.547 516 S N 8.705 124.175 115.700 -0.385 0.000 2.293 516 S HA 0.354 4.823 4.470 -0.001 0.000 0.154 516 S C -2.881 171.499 174.600 -0.367 0.000 1.602 516 S CA -1.166 56.828 58.200 -0.343 0.000 1.260 516 S CB -0.100 63.024 63.200 -0.126 0.000 1.270 516 S HN 0.649 nan 8.310 nan 0.000 0.416 517 P HA 0.331 nan 4.420 nan 0.000 0.280 517 P C -1.127 175.894 177.300 -0.465 0.000 1.244 517 P CA -0.203 62.627 63.100 -0.450 0.000 0.784 517 P CB 0.832 32.192 31.700 -0.566 0.000 0.913 518 D N 2.396 122.720 120.400 -0.127 0.000 2.373 518 D HA 0.138 4.777 4.640 -0.001 0.000 0.227 518 D C 0.231 176.545 176.300 0.024 0.000 1.091 518 D CA -0.652 53.258 54.000 -0.150 0.000 0.840 518 D CB 0.250 40.990 40.800 -0.099 0.000 1.060 518 D HN 0.058 nan 8.370 nan 0.000 0.502 519 F N 1.643 121.697 119.950 0.173 0.000 2.771 519 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 519 F C 2.420 178.284 175.800 0.107 0.000 1.177 519 F CA 0.435 58.537 58.000 0.170 0.000 1.450 519 F CB -0.398 38.687 39.000 0.142 0.000 1.114 519 F HN 0.365 nan 8.300 nan 0.000 0.587 520 S N -1.695 114.134 115.700 0.216 0.000 2.524 520 S HA 0.108 4.578 4.470 -0.001 0.000 0.215 520 S C 0.337 174.969 174.600 0.053 0.000 0.986 520 S CA -0.411 57.859 58.200 0.117 0.000 0.911 520 S CB -0.628 62.622 63.200 0.083 0.000 0.805 520 S HN 0.101 nan 8.310 nan 0.000 0.501 521 F N 2.734 122.601 119.950 -0.139 0.000 2.379 521 F HA 0.611 5.138 4.527 -0.001 0.000 0.332 521 F C 0.389 175.944 175.800 -0.408 0.000 1.096 521 F CA -0.807 56.976 58.000 -0.362 0.000 1.105 521 F CB 1.733 40.358 39.000 -0.625 0.000 1.189 521 F HN 0.051 nan 8.300 nan 0.000 0.515 522 S N 5.052 119.979 115.700 -1.288 0.000 2.592 522 S HA 0.199 4.668 4.470 -0.001 0.000 0.305 522 S C 0.497 174.411 174.600 -1.143 0.000 1.118 522 S CA -0.394 57.274 58.200 -0.886 0.000 1.075 522 S CB -0.457 62.339 63.200 -0.673 0.000 1.107 522 S HN 0.658 nan 8.310 nan 0.000 0.503 523 Y N 3.628 123.644 120.300 -0.474 0.000 2.314 523 Y HA 0.216 4.765 4.550 -0.001 0.000 0.293 523 Y C 0.324 175.664 175.900 -0.932 0.000 1.129 523 Y CA 0.741 58.442 58.100 -0.665 0.000 1.201 523 Y CB 0.136 38.211 38.460 -0.642 0.000 0.999 523 Y HN 0.577 nan 8.280 nan 0.000 0.541 524 F N -1.374 118.529 119.950 -0.079 0.000 2.599 524 F HA 0.452 4.978 4.527 -0.001 0.000 0.311 524 F C -0.069 175.758 175.800 0.045 0.000 1.076 524 F CA -1.521 56.505 58.000 0.043 0.000 0.937 524 F CB 1.600 40.779 39.000 0.297 0.000 1.282 524 F HN -0.402 nan 8.300 nan 0.000 0.460 525 T N 0.236 114.942 114.554 0.254 0.000 2.855 525 T HA 0.712 5.061 4.350 -0.001 0.000 0.281 525 T C -0.554 174.244 174.700 0.165 0.000 1.007 525 T CA -0.820 61.367 62.100 0.145 0.000 1.009 525 T CB 1.210 70.103 68.868 0.043 0.000 0.983 525 T HN 0.502 nan 8.240 nan 0.000 0.455 526 L N 1.938 123.176 121.223 0.025 0.000 2.439 526 L HA 0.416 4.755 4.340 -0.001 0.000 0.269 526 L C 0.137 176.977 176.870 -0.049 0.000 1.179 526 L CA -0.277 54.486 54.840 -0.128 0.000 0.828 526 L CB 0.666 42.590 42.059 -0.225 0.000 1.106 526 L HN 0.813 nan 8.230 nan 0.000 0.467 527 D N 1.341 121.709 120.400 -0.053 0.000 2.481 527 D HA 0.211 4.850 4.640 -0.001 0.000 0.246 527 D C -1.291 174.944 176.300 -0.109 0.000 1.109 527 D CA -0.397 53.571 54.000 -0.054 0.000 0.845 527 D CB 1.110 41.915 40.800 0.009 0.000 1.160 527 D HN 0.282 nan 8.370 nan 0.000 0.534 528 D N 2.407 122.754 120.400 -0.088 0.000 2.471 528 D HA 0.190 4.830 4.640 -0.001 0.000 0.245 528 D C 0.095 176.339 176.300 -0.093 0.000 1.116 528 D CA -0.465 53.515 54.000 -0.033 0.000 0.853 528 D CB 1.836 42.703 40.800 0.112 0.000 1.123 528 D HN 0.248 nan 8.370 nan 0.000 0.540 529 S N 2.706 118.323 115.700 -0.138 0.000 2.522 529 S HA 0.023 4.493 4.470 -0.001 0.000 0.227 529 S C 1.364 175.921 174.600 -0.071 0.000 0.986 529 S CA 0.540 58.648 58.200 -0.152 0.000 0.929 529 S CB 0.377 63.473 63.200 -0.174 0.000 0.769 529 S HN 0.495 nan 8.310 nan 0.000 0.529 530 R N -0.650 119.844 120.500 -0.011 0.000 2.549 530 R HA 0.217 4.557 4.340 -0.001 0.000 0.344 530 R C -0.692 175.688 176.300 0.135 0.000 0.979 530 R CA -0.107 56.011 56.100 0.031 0.000 1.140 530 R CB 0.805 31.117 30.300 0.019 0.000 1.377 530 R HN 0.343 nan 8.270 nan 0.000 0.541 531 W N 1.290 122.554 121.300 -0.061 0.000 3.259 531 W HA 0.294 4.953 4.660 -0.001 0.000 0.331 531 W C -2.896 173.593 176.519 -0.049 0.000 1.144 531 W CA -2.018 55.291 57.345 -0.061 0.000 1.227 531 W CB 1.810 31.245 29.460 -0.042 0.000 1.371 531 W HN -0.197 nan 8.180 nan 0.000 0.491 532 P HA 0.075 nan 4.420 nan 0.000 0.225 532 P C 0.354 177.286 177.300 -0.612 0.000 1.148 532 P CA 1.891 64.114 63.100 -1.461 0.000 0.779 532 P CB 0.270 31.372 31.700 -0.996 0.000 0.780 533 G N -1.204 107.409 108.800 -0.312 0.000 2.587 533 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.686 533 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.686 533 G C -0.469 174.374 174.900 -0.096 0.000 1.236 533 G CA -0.491 44.521 45.100 -0.147 0.000 0.820 533 G HN 0.082 nan 8.290 nan 0.000 0.645 534 S N 0.161 115.845 115.700 -0.028 0.000 2.544 534 S HA 0.509 4.978 4.470 -0.001 0.000 0.290 534 S C 1.849 176.447 174.600 -0.003 0.000 1.276 534 S CA 2.046 60.260 58.200 0.024 0.000 1.075 534 S CB 0.155 63.406 63.200 0.085 0.000 0.849 534 S HN 2.713 nan 8.310 nan 0.000 0.494 535 G N 2.829 111.626 108.800 -0.005 0.000 2.199 535 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.254 535 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.254 535 G C 0.584 175.455 174.900 -0.049 0.000 0.982 535 G CA 0.340 45.425 45.100 -0.025 0.000 0.632 535 G HN 0.871 nan 8.290 nan 0.000 0.529 536 V N -0.616 119.253 119.914 -0.075 0.000 2.721 536 V HA 0.383 4.502 4.120 -0.001 0.000 0.236 536 V C 0.808 176.837 176.094 -0.109 0.000 1.116 536 V CA 1.489 63.727 62.300 -0.103 0.000 1.148 536 V CB 0.404 32.132 31.823 -0.159 0.000 0.886 536 V HN 0.327 nan 8.190 nan 0.000 0.490 537 E N 0.531 120.656 120.200 -0.125 0.000 2.308 537 E HA 0.287 4.637 4.350 -0.001 0.000 0.275 537 E C -1.570 174.994 176.600 -0.060 0.000 0.890 537 E CA -0.456 55.884 56.400 -0.099 0.000 0.754 537 E CB 2.215 31.832 29.700 -0.138 0.000 1.207 537 E HN 0.126 nan 8.360 nan 0.000 0.426 538 D N 1.713 122.099 120.400 -0.025 0.000 2.494 538 D HA 0.082 4.721 4.640 -0.001 0.000 0.217 538 D C 0.523 176.827 176.300 0.007 0.000 1.153 538 D CA 0.065 54.073 54.000 0.013 0.000 0.954 538 D CB 0.269 41.083 40.800 0.023 0.000 1.034 538 D HN 0.343 nan 8.370 nan 0.000 0.518 539 S N 2.373 118.068 115.700 -0.007 0.000 2.520 539 S HA 0.205 4.674 4.470 -0.001 0.000 0.219 539 S C 0.927 175.522 174.600 -0.008 0.000 1.028 539 S CA -0.435 57.751 58.200 -0.023 0.000 0.921 539 S CB 0.598 63.761 63.200 -0.063 0.000 0.844 539 S HN 0.211 nan 8.310 nan 0.000 0.495 540 R N 2.830 123.335 120.500 0.007 0.000 2.441 540 R HA 0.408 4.748 4.340 -0.001 0.000 0.284 540 R C -0.020 176.326 176.300 0.075 0.000 1.070 540 R CA 0.170 56.260 56.100 -0.017 0.000 1.047 540 R CB 0.711 30.895 30.300 -0.194 0.000 1.016 540 R HN 0.449 nan 8.270 nan 0.000 0.477 541 T N -0.716 113.879 114.554 0.069 0.000 2.856 541 T HA 0.167 4.516 4.350 -0.001 0.000 0.292 541 T C 0.283 175.094 174.700 0.185 0.000 0.980 541 T CA -0.754 61.411 62.100 0.109 0.000 1.091 541 T CB 1.288 70.205 68.868 0.082 0.000 0.936 541 T HN 0.348 nan 8.240 nan 0.000 0.503 542 T N 4.058 118.728 114.554 0.194 0.000 2.832 542 T HA 0.334 4.683 4.350 -0.001 0.000 0.296 542 T C 0.571 175.379 174.700 0.179 0.000 0.968 542 T CA -0.472 61.762 62.100 0.225 0.000 1.107 542 T CB 0.108 69.066 68.868 0.150 0.000 0.916 542 T HN 0.576 nan 8.240 nan 0.000 0.517 543 I N 4.164 124.859 120.570 0.209 0.000 2.421 543 I HA 0.185 4.354 4.170 -0.001 0.000 0.291 543 I C 0.219 176.425 176.117 0.147 0.000 1.089 543 I CA -0.018 61.384 61.300 0.170 0.000 1.354 543 I CB 0.137 38.241 38.000 0.173 0.000 1.413 543 I HN 0.456 nan 8.210 nan 0.000 0.513 544 I N 8.072 128.713 120.570 0.119 0.000 2.297 544 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 544 I C -0.128 176.051 176.117 0.103 0.000 1.033 544 I CA -0.161 61.200 61.300 0.103 0.000 1.253 544 I CB 0.435 38.483 38.000 0.080 0.000 1.396 544 I HN 0.393 nan 8.210 nan 0.000 0.476 545 L N 5.770 127.058 121.223 0.109 0.000 2.319 545 L HA 0.960 5.299 4.340 -0.001 0.000 0.267 545 L C 0.173 177.101 176.870 0.097 0.000 1.011 545 L CA -0.698 54.206 54.840 0.106 0.000 0.818 545 L CB 2.172 44.300 42.059 0.115 0.000 1.316 545 L HN 0.694 nan 8.230 nan 0.000 0.432 546 G N -0.028 108.825 108.800 0.089 0.000 2.442 546 G HA2 0.110 4.069 3.960 -0.001 0.000 0.296 546 G HA3 0.110 4.069 3.960 -0.001 0.000 0.296 546 G C -0.226 174.717 174.900 0.072 0.000 1.564 546 G CA -0.436 44.713 45.100 0.082 0.000 0.828 546 G HN 0.700 nan 8.290 nan 0.000 0.571 547 E N -0.172 120.068 120.200 0.067 0.000 2.160 547 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 547 E C 0.788 177.417 176.600 0.049 0.000 0.991 547 E CA 1.507 57.940 56.400 0.055 0.000 0.810 547 E CB 0.144 29.873 29.700 0.048 0.000 0.742 547 E HN 0.416 nan 8.360 nan 0.000 0.466 548 D N -0.292 120.137 120.400 0.048 0.000 2.342 548 D HA 0.103 4.742 4.640 -0.001 0.000 0.221 548 D C 1.169 177.495 176.300 0.044 0.000 1.101 548 D CA 0.186 54.210 54.000 0.041 0.000 0.837 548 D CB 0.850 41.672 40.800 0.037 0.000 0.938 548 D HN 0.343 nan 8.370 nan 0.000 0.508 549 I N -0.979 119.622 120.570 0.052 0.000 4.420 549 I HA 0.118 4.287 4.170 -0.001 0.000 0.292 549 I C -1.357 174.798 176.117 0.063 0.000 1.153 549 I CA 0.042 61.374 61.300 0.054 0.000 1.315 549 I CB 1.264 39.296 38.000 0.053 0.000 1.616 549 I HN -0.175 nan 8.210 nan 0.000 0.450 550 L N 2.109 123.375 121.223 0.073 0.000 2.949 550 L HA 0.445 4.784 4.340 -0.001 0.000 0.258 550 L C -2.589 174.336 176.870 0.092 0.000 0.941 550 L CA -0.763 54.128 54.840 0.086 0.000 1.053 550 L CB 1.640 43.757 42.059 0.097 0.000 1.550 550 L HN -0.147 nan 8.230 nan 0.000 0.493 551 P HA 0.109 nan 4.420 nan 0.000 0.230 551 P C -0.173 177.185 177.300 0.097 0.000 1.168 551 P CA 0.693 63.845 63.100 0.087 0.000 0.793 551 P CB 0.499 32.243 31.700 0.074 0.000 0.851 552 S N -1.831 113.939 115.700 0.117 0.000 2.596 552 S HA 0.731 5.200 4.470 -0.001 0.000 0.270 552 S C -1.291 173.416 174.600 0.179 0.000 1.155 552 S CA -0.701 57.575 58.200 0.126 0.000 0.827 552 S CB 2.501 65.767 63.200 0.110 0.000 1.130 552 S HN -0.131 nan 8.310 nan 0.000 0.467 553 K N 0.635 121.146 120.400 0.186 0.000 2.513 553 K HA 0.564 4.883 4.320 -0.001 0.000 0.251 553 K C -1.990 174.783 176.600 0.288 0.000 0.939 553 K CA -0.244 56.200 56.287 0.262 0.000 0.793 553 K CB 0.937 33.549 32.500 0.187 0.000 1.241 553 K HN 0.845 nan 8.250 nan 0.000 0.431 554 H N 0.904 120.130 119.070 0.259 0.000 2.610 554 H HA 0.444 4.999 4.556 -0.001 0.000 0.336 554 H C -0.205 175.357 175.328 0.390 0.000 1.087 554 H CA -0.106 56.142 56.048 0.333 0.000 1.405 554 H CB 1.016 31.068 29.762 0.483 0.000 1.460 554 H HN 0.396 nan 8.280 nan 0.000 0.538 555 V N 1.013 121.182 119.914 0.425 0.000 2.914 555 V HA 0.778 4.898 4.120 -0.001 0.000 0.314 555 V C -0.730 175.704 176.094 0.566 0.000 1.084 555 V CA -0.869 61.680 62.300 0.415 0.000 0.963 555 V CB 2.111 33.916 31.823 -0.030 0.000 1.025 555 V HN 0.459 nan 8.190 nan 0.000 0.432 556 V N 3.986 124.256 119.914 0.594 0.000 2.638 556 V HA 0.606 4.726 4.120 -0.001 0.000 0.306 556 V C -0.452 176.003 176.094 0.602 0.000 1.052 556 V CA -0.358 62.255 62.300 0.522 0.000 0.885 556 V CB 1.823 33.805 31.823 0.264 0.000 0.999 556 V HN 0.949 nan 8.190 nan 0.000 0.424 557 M N 4.230 124.157 119.600 0.545 0.000 2.336 557 M HA 0.480 4.959 4.480 -0.001 0.000 0.342 557 M C -0.445 176.133 176.300 0.463 0.000 1.128 557 M CA -0.185 55.407 55.300 0.488 0.000 1.016 557 M CB 1.078 33.908 32.600 0.383 0.000 1.665 557 M HN 0.743 nan 8.290 nan 0.000 0.445 558 H N 2.049 121.347 119.070 0.380 0.000 2.492 558 H HA 0.467 5.022 4.556 -0.001 0.000 0.345 558 H C -1.306 174.152 175.328 0.217 0.000 1.136 558 H CA -0.595 55.638 56.048 0.308 0.000 1.202 558 H CB 1.157 31.171 29.762 0.420 0.000 1.524 558 H HN 0.642 nan 8.280 nan 0.000 0.506 559 N N 3.086 121.558 118.700 -0.380 0.000 2.569 559 N HA 0.035 4.775 4.740 -0.001 0.000 0.254 559 N C 0.315 175.484 175.510 -0.567 0.000 1.004 559 N CA -0.302 52.526 53.050 -0.371 0.000 0.904 559 N CB 1.556 39.933 38.487 -0.183 0.000 1.165 559 N HN 0.639 nan 8.380 nan 0.000 0.513 560 T N 2.860 117.123 114.554 -0.486 0.000 3.072 560 T HA 0.169 4.518 4.350 -0.001 0.000 0.266 560 T C 0.683 175.336 174.700 -0.079 0.000 1.127 560 T CA 0.492 62.473 62.100 -0.199 0.000 1.107 560 T CB -0.236 68.654 68.868 0.037 0.000 0.910 560 T HN 0.415 nan 8.240 nan 0.000 0.513 561 L N 2.728 123.852 121.223 -0.166 0.000 2.395 561 L HA 0.323 4.663 4.340 -0.001 0.000 0.269 561 L C -1.625 175.095 176.870 -0.250 0.000 1.133 561 L CA -1.984 52.725 54.840 -0.218 0.000 0.812 561 L CB 0.762 42.559 42.059 -0.436 0.000 1.125 561 L HN -0.051 nan 8.230 nan 0.000 0.452 562 P HA 0.060 nan 4.420 nan 0.000 0.235 562 P C -0.996 176.314 177.300 0.017 0.000 1.725 562 P CA 0.286 63.367 63.100 -0.030 0.000 0.894 562 P CB -0.349 31.391 31.700 0.068 0.000 1.704 563 H N -3.153 115.933 119.070 0.026 0.000 2.961 563 H HA 0.243 4.799 4.556 -0.001 0.000 0.371 563 H C -0.979 174.371 175.328 0.035 0.000 1.190 563 H CA -1.091 54.993 56.048 0.060 0.000 1.138 563 H CB 0.028 29.853 29.762 0.105 0.000 1.816 563 H HN -0.129 nan 8.280 nan 0.000 0.551 564 W N 1.751 123.162 121.300 0.184 0.000 2.314 564 W HA 0.179 4.838 4.660 -0.001 0.000 0.339 564 W C 0.911 177.540 176.519 0.184 0.000 1.293 564 W CA 0.475 57.898 57.345 0.130 0.000 1.288 564 W CB 0.398 29.922 29.460 0.107 0.000 1.186 564 W HN 0.508 nan 8.180 nan 0.000 0.566 565 R N 2.433 123.139 120.500 0.343 0.000 2.564 565 R HA 0.288 4.628 4.340 -0.001 0.000 0.284 565 R C -1.028 175.408 176.300 0.226 0.000 1.031 565 R CA -0.662 55.593 56.100 0.258 0.000 0.904 565 R CB 1.346 31.722 30.300 0.127 0.000 1.199 565 R HN 0.497 nan 8.270 nan 0.000 0.443 566 E N 2.493 122.804 120.200 0.184 0.000 2.191 566 E HA 0.254 4.603 4.350 -0.001 0.000 0.274 566 E C -1.176 175.471 176.600 0.077 0.000 0.948 566 E CA -0.771 55.712 56.400 0.138 0.000 0.802 566 E CB 2.326 32.101 29.700 0.125 0.000 1.137 566 E HN 0.398 nan 8.360 nan 0.000 0.397 567 Q N 2.835 122.657 119.800 0.037 0.000 2.386 567 Q HA 0.254 4.593 4.340 -0.001 0.000 0.274 567 Q C -1.497 174.459 176.000 -0.073 0.000 1.011 567 Q CA -0.613 55.181 55.803 -0.015 0.000 0.867 567 Q CB 1.457 30.177 28.738 -0.031 0.000 1.409 567 Q HN 0.548 nan 8.270 nan 0.000 0.395 568 L N 3.144 124.319 121.223 -0.081 0.000 2.453 568 L HA 0.340 4.680 4.340 -0.001 0.000 0.272 568 L C 0.207 176.937 176.870 -0.233 0.000 1.182 568 L CA -0.311 54.442 54.840 -0.145 0.000 0.858 568 L CB 0.564 42.575 42.059 -0.081 0.000 1.120 568 L HN 0.472 nan 8.230 nan 0.000 0.474 569 V N -0.783 118.884 119.914 -0.410 0.000 2.823 569 V HA 0.731 4.850 4.120 -0.001 0.000 0.312 569 V C -1.028 174.782 176.094 -0.474 0.000 1.072 569 V CA -0.934 61.080 62.300 -0.478 0.000 0.937 569 V CB 2.104 33.593 31.823 -0.555 0.000 1.013 569 V HN 0.783 nan 8.190 nan 0.000 0.430 570 D N 1.393 121.512 120.400 -0.468 0.000 2.490 570 D HA 0.773 5.412 4.640 -0.001 0.000 0.232 570 D C -1.097 174.850 176.300 -0.588 0.000 1.053 570 D CA -0.607 53.218 54.000 -0.292 0.000 0.914 570 D CB 2.011 42.748 40.800 -0.105 0.000 1.431 570 D HN 0.450 nan 8.370 nan 0.000 0.483 571 F N -0.745 119.251 119.950 0.076 0.000 2.613 571 F HA 0.372 4.899 4.527 -0.001 0.000 0.310 571 F C -0.788 175.144 175.800 0.221 0.000 1.085 571 F CA -1.120 56.935 58.000 0.091 0.000 0.945 571 F CB 1.553 40.660 39.000 0.178 0.000 1.298 571 F HN 0.140 nan 8.300 nan 0.000 0.455 572 Y N 2.194 122.654 120.300 0.267 0.000 2.316 572 Y HA 0.560 5.109 4.550 -0.001 0.000 0.331 572 Y C 0.201 176.227 175.900 0.209 0.000 1.083 572 Y CA -1.462 56.746 58.100 0.180 0.000 1.206 572 Y CB 0.864 39.382 38.460 0.097 0.000 1.195 572 Y HN 0.344 nan 8.280 nan 0.000 0.497 573 V N -0.359 119.767 119.914 0.353 0.000 3.040 573 V HA 0.583 4.702 4.120 -0.001 0.000 0.312 573 V C 0.368 176.607 176.094 0.243 0.000 1.115 573 V CA -0.727 61.737 62.300 0.273 0.000 0.998 573 V CB 1.740 33.721 31.823 0.263 0.000 1.042 573 V HN 0.667 nan 8.190 nan 0.000 0.433 574 S N 0.209 116.028 115.700 0.199 0.000 2.593 574 S HA 0.250 4.719 4.470 -0.001 0.000 0.217 574 S C 0.690 175.434 174.600 0.240 0.000 0.966 574 S CA 0.482 58.788 58.200 0.176 0.000 0.914 574 S CB -0.195 63.076 63.200 0.119 0.000 0.776 574 S HN 1.386 nan 8.310 nan 0.000 0.523 575 S N 1.303 117.139 115.700 0.227 0.000 2.546 575 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 575 S C -2.564 171.941 174.600 -0.159 0.000 1.121 575 S CA -1.461 56.761 58.200 0.037 0.000 0.887 575 S CB 1.949 65.178 63.200 0.049 0.000 1.094 575 S HN 0.013 nan 8.310 nan 0.000 0.474 576 P HA 0.171 nan 4.420 nan 0.000 0.236 576 P C -0.164 177.009 177.300 -0.212 0.000 1.177 576 P CA 0.381 63.116 63.100 -0.608 0.000 0.773 576 P CB -0.152 30.895 31.700 -1.088 0.000 0.878 577 F N 0.845 120.812 119.950 0.028 0.000 2.509 577 F HA 0.253 4.779 4.527 -0.001 0.000 0.344 577 F C 0.499 176.346 175.800 0.079 0.000 1.197 577 F CA -1.116 56.929 58.000 0.075 0.000 1.294 577 F CB -0.188 38.822 39.000 0.016 0.000 1.643 577 F HN -0.327 nan 8.300 nan 0.000 0.596 578 V N 0.884 120.935 119.914 0.229 0.000 2.656 578 V HA 0.671 4.790 4.120 -0.001 0.000 0.307 578 V C -0.272 175.891 176.094 0.114 0.000 1.051 578 V CA -0.861 61.531 62.300 0.153 0.000 0.893 578 V CB 2.261 34.167 31.823 0.137 0.000 0.999 578 V HN 0.486 nan 8.190 nan 0.000 0.426 579 S N 2.852 118.599 115.700 0.079 0.000 2.599 579 S HA 0.898 5.367 4.470 -0.001 0.000 0.294 579 S C -0.964 173.619 174.600 -0.027 0.000 1.094 579 S CA -0.829 57.397 58.200 0.043 0.000 0.931 579 S CB 2.105 65.348 63.200 0.072 0.000 1.093 579 S HN 0.443 nan 8.310 nan 0.000 0.488 580 V N 1.792 121.650 119.914 -0.092 0.000 2.555 580 V HA 0.812 4.932 4.120 -0.001 0.000 0.302 580 V C 0.008 176.010 176.094 -0.153 0.000 1.038 580 V CA -0.460 61.704 62.300 -0.227 0.000 0.887 580 V CB 1.630 33.126 31.823 -0.546 0.000 0.991 580 V HN 1.208 nan 8.190 nan 0.000 0.434 581 T N -0.526 113.957 114.554 -0.118 0.000 2.906 581 T HA 0.638 4.988 4.350 -0.001 0.000 0.295 581 T C -0.819 173.865 174.700 -0.026 0.000 1.061 581 T CA -0.912 61.144 62.100 -0.074 0.000 1.000 581 T CB 2.044 70.861 68.868 -0.085 0.000 1.103 581 T HN 0.719 nan 8.240 nan 0.000 0.486 582 D N 0.800 121.161 120.400 -0.065 0.000 2.433 582 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 582 D C 1.035 177.203 176.300 -0.219 0.000 1.226 582 D CA -1.115 52.733 54.000 -0.254 0.000 1.015 582 D CB 0.305 40.946 40.800 -0.264 0.000 1.091 582 D HN 0.302 nan 8.370 nan 0.000 0.527 583 L N -0.427 120.648 121.223 -0.247 0.000 2.478 583 L HA 0.202 4.542 4.340 -0.001 0.000 0.223 583 L C 1.986 178.780 176.870 -0.126 0.000 1.140 583 L CA 1.001 55.736 54.840 -0.175 0.000 0.842 583 L CB -0.950 41.013 42.059 -0.160 0.000 0.953 583 L HN 0.645 nan 8.230 nan 0.000 0.452 584 A N -1.039 121.712 122.820 -0.116 0.000 2.276 584 A HA 0.052 4.371 4.320 -0.001 0.000 0.212 584 A C 1.198 178.736 177.584 -0.076 0.000 1.230 584 A CA 0.564 52.551 52.037 -0.084 0.000 0.844 584 A CB -0.750 18.207 19.000 -0.072 0.000 0.860 584 A HN 0.556 nan 8.150 nan 0.000 0.486 585 N N -0.434 118.214 118.700 -0.087 0.000 2.800 585 N HA -0.145 4.594 4.740 -0.001 0.000 0.250 585 N C -1.012 174.455 175.510 -0.072 0.000 1.078 585 N CA 0.906 53.912 53.050 -0.074 0.000 0.804 585 N CB -1.847 36.607 38.487 -0.055 0.000 1.135 585 N HN 0.560 nan 8.380 nan 0.000 0.565 586 N N 1.201 119.854 118.700 -0.077 0.000 2.470 586 N HA 0.217 4.957 4.740 -0.001 0.000 0.268 586 N C -2.473 172.970 175.510 -0.112 0.000 1.136 586 N CA -0.741 52.260 53.050 -0.082 0.000 0.961 586 N CB 0.557 39.007 38.487 -0.062 0.000 1.067 586 N HN 0.251 nan 8.380 nan 0.000 0.468 587 P HA 0.031 nan 4.420 nan 0.000 0.267 587 P C -0.423 176.740 177.300 -0.229 0.000 1.200 587 P CA 0.002 62.917 63.100 -0.309 0.000 0.772 587 P CB 0.695 31.920 31.700 -0.791 0.000 0.855 588 V N 2.331 122.155 119.914 -0.152 0.000 2.540 588 V HA 0.214 4.334 4.120 -0.001 0.000 0.302 588 V C 0.321 176.406 176.094 -0.014 0.000 1.035 588 V CA -0.815 61.458 62.300 -0.045 0.000 0.873 588 V CB 1.517 33.335 31.823 -0.009 0.000 0.992 588 V HN 0.532 nan 8.190 nan 0.000 0.428 589 E N 2.977 123.211 120.200 0.057 0.000 2.415 589 E HA 0.457 4.806 4.350 -0.001 0.000 0.263 589 E C -0.201 176.470 176.600 0.119 0.000 0.995 589 E CA 0.074 56.540 56.400 0.109 0.000 0.915 589 E CB 0.834 30.603 29.700 0.114 0.000 0.951 589 E HN 0.881 nan 8.360 nan 0.000 0.449 590 A N 4.370 127.250 122.820 0.099 0.000 2.479 590 A HA 0.439 4.758 4.320 -0.001 0.000 0.296 590 A C -1.216 176.391 177.584 0.038 0.000 1.121 590 A CA -0.717 51.389 52.037 0.115 0.000 0.743 590 A CB 1.893 20.954 19.000 0.101 0.000 1.323 590 A HN 0.682 nan 8.150 nan 0.000 0.415 591 Q N 0.740 120.571 119.800 0.051 0.000 2.356 591 Q HA 0.645 4.985 4.340 -0.001 0.000 0.270 591 Q C -2.014 173.987 176.000 0.002 0.000 1.058 591 Q CA -0.552 55.240 55.803 -0.018 0.000 0.802 591 Q CB 2.160 30.924 28.738 0.042 0.000 1.303 591 Q HN 0.558 nan 8.270 nan 0.000 0.444 592 V N 2.661 122.512 119.914 -0.106 0.000 2.435 592 V HA 0.558 4.677 4.120 -0.001 0.000 0.290 592 V C -0.532 175.757 176.094 0.325 0.000 1.030 592 V CA -0.305 62.051 62.300 0.094 0.000 0.881 592 V CB 1.787 33.636 31.823 0.042 0.000 0.983 592 V HN 0.844 nan 8.190 nan 0.000 0.445 593 S N 5.317 121.232 115.700 0.359 0.000 2.634 593 S HA 0.699 5.168 4.470 -0.001 0.000 0.296 593 S C -2.747 171.928 174.600 0.126 0.000 1.104 593 S CA -1.184 57.209 58.200 0.322 0.000 0.920 593 S CB 2.417 65.755 63.200 0.230 0.000 1.111 593 S HN 0.537 nan 8.310 nan 0.000 0.493 594 P HA 0.278 nan 4.420 nan 0.000 0.274 594 P C -1.175 175.816 177.300 -0.516 0.000 1.256 594 P CA -0.537 62.194 63.100 -0.614 0.000 0.795 594 P CB 0.381 31.300 31.700 -1.302 0.000 1.038 595 V N 1.419 120.954 119.914 -0.632 0.000 2.348 595 V HA 0.198 4.317 4.120 -0.001 0.000 0.270 595 V C -0.588 175.211 176.094 -0.493 0.000 1.037 595 V CA -0.196 61.824 62.300 -0.468 0.000 0.872 595 V CB -0.424 31.044 31.823 -0.592 0.000 1.002 595 V HN 0.510 nan 8.190 nan 0.000 0.464 596 W N 3.495 124.713 121.300 -0.137 0.000 2.433 596 W HA 0.628 5.288 4.660 -0.001 0.000 0.315 596 W C 0.415 176.858 176.519 -0.126 0.000 1.087 596 W CA -0.435 56.811 57.345 -0.165 0.000 1.205 596 W CB 1.816 31.183 29.460 -0.156 0.000 1.288 596 W HN 0.570 nan 8.180 nan 0.000 0.504 597 S N 1.483 117.219 115.700 0.060 0.000 2.513 597 S HA 0.599 5.069 4.470 -0.001 0.000 0.299 597 S C -1.393 173.010 174.600 -0.328 0.000 1.087 597 S CA -0.952 57.213 58.200 -0.059 0.000 1.012 597 S CB 1.163 64.324 63.200 -0.065 0.000 1.044 597 S HN 0.419 nan 8.310 nan 0.000 0.485 598 W N 1.696 122.756 121.300 -0.399 0.000 2.496 598 W HA 0.535 5.194 4.660 -0.001 0.000 0.327 598 W C 0.318 176.445 176.519 -0.654 0.000 1.086 598 W CA -0.180 56.939 57.345 -0.376 0.000 1.222 598 W CB 0.946 30.295 29.460 -0.185 0.000 1.304 598 W HN 0.625 nan 8.180 nan 0.000 0.547 599 H N 1.438 120.545 119.070 0.060 0.000 2.667 599 H HA 0.103 4.658 4.556 -0.001 0.000 0.353 599 H C -1.028 174.332 175.328 0.053 0.000 1.072 599 H CA -1.007 55.036 56.048 -0.009 0.000 1.214 599 H CB 1.717 31.379 29.762 -0.166 0.000 1.600 599 H HN 0.419 nan 8.280 nan 0.000 0.527 600 H N 2.375 121.527 119.070 0.136 0.000 2.864 600 H HA 0.040 4.595 4.556 -0.001 0.000 0.281 600 H C -0.447 174.954 175.328 0.121 0.000 1.093 600 H CA -0.202 55.919 56.048 0.121 0.000 1.453 600 H CB 0.323 30.134 29.762 0.082 0.000 1.462 600 H HN 0.424 nan 8.280 nan 0.000 0.480 601 D N 3.853 124.072 120.400 -0.301 0.000 2.374 601 D HA -0.029 4.611 4.640 -0.001 0.000 0.240 601 D C 0.985 176.999 176.300 -0.476 0.000 1.229 601 D CA 0.130 54.006 54.000 -0.207 0.000 0.895 601 D CB 0.691 41.568 40.800 0.128 0.000 1.046 601 D HN 0.808 nan 8.370 nan 0.000 0.498 602 T N 1.352 115.683 114.554 -0.372 0.000 3.072 602 T HA -0.081 4.268 4.350 -0.001 0.000 0.266 602 T C 1.737 176.383 174.700 -0.089 0.000 1.127 602 T CA 0.174 62.140 62.100 -0.224 0.000 1.107 602 T CB 0.171 69.013 68.868 -0.045 0.000 0.910 602 T HN 0.238 nan 8.240 nan 0.000 0.513 603 L N 2.231 123.408 121.223 -0.077 0.000 2.121 603 L HA 0.123 4.462 4.340 -0.001 0.000 0.200 603 L C 3.034 179.887 176.870 -0.029 0.000 1.077 603 L CA 2.179 56.997 54.840 -0.035 0.000 0.766 603 L CB -1.783 40.260 42.059 -0.026 0.000 0.931 603 L HN 0.551 nan 8.230 nan 0.000 0.452 604 T N -3.677 110.858 114.554 -0.032 0.000 3.088 604 T HA -0.037 4.312 4.350 -0.001 0.000 0.259 604 T C 0.767 175.465 174.700 -0.003 0.000 1.122 604 T CA -0.065 62.021 62.100 -0.024 0.000 1.095 604 T CB 0.030 68.869 68.868 -0.048 0.000 0.930 604 T HN 0.136 nan 8.240 nan 0.000 0.508 605 K N 2.007 122.399 120.400 -0.014 0.000 3.125 605 K HA -0.123 4.197 4.320 -0.001 0.000 0.268 605 K C 0.106 176.784 176.600 0.130 0.000 1.078 605 K CA 1.236 57.565 56.287 0.070 0.000 0.775 605 K CB -2.863 29.692 32.500 0.091 0.000 1.253 605 K HN 0.883 nan 8.250 nan 0.000 0.486 606 T N -2.820 111.805 114.554 0.118 0.000 2.901 606 T HA 0.811 5.160 4.350 -0.001 0.000 0.293 606 T C 0.214 175.108 174.700 0.324 0.000 1.084 606 T CA -1.063 61.157 62.100 0.200 0.000 1.008 606 T CB 2.300 71.243 68.868 0.126 0.000 1.170 606 T HN 0.141 nan 8.240 nan 0.000 0.509 607 I N 2.848 123.631 120.570 0.356 0.000 2.355 607 I HA 0.535 4.705 4.170 -0.001 0.000 0.288 607 I C -0.321 176.112 176.117 0.526 0.000 0.999 607 I CA -0.731 60.814 61.300 0.408 0.000 1.163 607 I CB 0.767 38.960 38.000 0.322 0.000 1.316 607 I HN 0.953 nan 8.210 nan 0.000 0.454 608 H N 5.812 125.051 119.070 0.281 0.000 3.016 608 H HA 0.651 5.207 4.556 -0.001 0.000 0.362 608 H C -3.179 171.946 175.328 -0.339 0.000 1.233 608 H CA -2.273 53.775 56.048 0.000 0.000 1.124 608 H CB 2.030 31.787 29.762 -0.008 0.000 1.850 608 H HN 0.160 nan 8.280 nan 0.000 0.549 609 P HA 0.200 nan 4.420 nan 0.000 0.292 609 P C -1.034 176.152 177.300 -0.191 0.000 1.283 609 P CA -0.660 61.877 63.100 -0.939 0.000 0.835 609 P CB 1.867 32.664 31.700 -1.504 0.000 1.017 610 Q N 0.939 120.747 119.800 0.013 0.000 2.342 610 Q HA 0.577 4.917 4.340 -0.001 0.000 0.267 610 Q C 0.181 176.252 176.000 0.118 0.000 1.038 610 Q CA -0.544 55.344 55.803 0.141 0.000 0.832 610 Q CB 2.743 31.535 28.738 0.089 0.000 1.323 610 Q HN 0.587 nan 8.270 nan 0.000 0.448 611 G N 0.622 109.363 108.800 -0.098 0.000 2.371 611 G HA2 0.332 4.291 3.960 -0.001 0.000 0.326 611 G HA3 0.332 4.291 3.960 -0.001 0.000 0.326 611 G C -0.340 174.293 174.900 -0.445 0.000 1.127 611 G CA -0.324 44.387 45.100 -0.648 0.000 0.885 611 G HN 0.428 nan 8.290 nan 0.000 0.477 612 S N -0.320 115.064 115.700 -0.528 0.000 2.564 612 S HA 0.296 4.766 4.470 -0.001 0.000 0.278 612 S C 1.584 175.910 174.600 -0.457 0.000 1.333 612 S CA 0.289 58.218 58.200 -0.453 0.000 1.048 612 S CB 0.672 63.542 63.200 -0.550 0.000 0.900 612 S HN 0.899 nan 8.310 nan 0.000 0.505 613 T N 0.038 114.409 114.554 -0.305 0.000 3.092 613 T HA 0.143 4.492 4.350 -0.001 0.000 0.258 613 T C 1.181 175.776 174.700 -0.175 0.000 1.031 613 T CA 0.436 62.422 62.100 -0.190 0.000 0.925 613 T CB -0.166 68.652 68.868 -0.083 0.000 1.036 613 T HN 0.679 nan 8.240 nan 0.000 0.544 614 T N -1.151 113.209 114.554 -0.322 0.000 2.955 614 T HA 0.318 4.668 4.350 -0.001 0.000 0.251 614 T C 0.370 174.870 174.700 -0.332 0.000 1.002 614 T CA -0.419 61.548 62.100 -0.221 0.000 0.970 614 T CB 0.063 68.848 68.868 -0.139 0.000 1.091 614 T HN 0.644 nan 8.240 nan 0.000 0.495 615 K N -0.174 119.810 120.400 -0.692 0.000 2.477 615 K HA 0.675 4.995 4.320 -0.001 0.000 0.255 615 K C -2.033 173.905 176.600 -1.104 0.000 0.952 615 K CA -1.058 54.857 56.287 -0.621 0.000 0.826 615 K CB 1.781 34.044 32.500 -0.396 0.000 1.331 615 K HN 0.139 nan 8.250 nan 0.000 0.437 616 Y N -0.287 119.943 120.300 -0.116 0.000 2.588 616 Y HA 0.452 5.001 4.550 -0.001 0.000 0.343 616 Y C -0.479 175.460 175.900 0.064 0.000 1.065 616 Y CA -1.149 56.918 58.100 -0.055 0.000 1.038 616 Y CB 2.331 40.823 38.460 0.053 0.000 1.297 616 Y HN 0.369 nan 8.280 nan 0.000 0.467 617 R N 1.734 122.392 120.500 0.264 0.000 2.294 617 R HA 0.568 4.907 4.340 -0.001 0.000 0.319 617 R C -1.203 175.277 176.300 0.300 0.000 0.984 617 R CA -0.630 55.662 56.100 0.321 0.000 0.861 617 R CB 1.584 32.044 30.300 0.265 0.000 1.104 617 R HN 0.644 nan 8.270 nan 0.000 0.451 618 I N 4.287 125.051 120.570 0.324 0.000 2.412 618 I HA 0.417 4.586 4.170 -0.001 0.000 0.296 618 I C -0.995 175.308 176.117 0.310 0.000 0.987 618 I CA -0.713 60.768 61.300 0.302 0.000 1.180 618 I CB 0.974 39.166 38.000 0.319 0.000 1.340 618 I HN 0.539 nan 8.210 nan 0.000 0.455 619 I N 8.082 128.804 120.570 0.253 0.000 2.498 619 I HA 0.516 4.685 4.170 -0.001 0.000 0.290 619 I C -1.005 175.262 176.117 0.249 0.000 1.032 619 I CA -0.522 60.872 61.300 0.156 0.000 1.073 619 I CB 1.699 39.754 38.000 0.091 0.000 1.251 619 I HN 0.516 nan 8.210 nan 0.000 0.426 620 F N 2.651 122.624 119.950 0.038 0.000 2.713 620 F HA 0.564 5.091 4.527 -0.001 0.000 0.311 620 F C -1.072 174.711 175.800 -0.028 0.000 1.141 620 F CA -1.304 56.698 58.000 0.002 0.000 0.939 620 F CB 1.331 40.319 39.000 -0.019 0.000 1.325 620 F HN 0.214 nan 8.300 nan 0.000 0.453 621 K N 1.989 122.481 120.400 0.154 0.000 2.285 621 K HA 0.731 5.051 4.320 -0.001 0.000 0.286 621 K C -0.608 176.043 176.600 0.086 0.000 1.072 621 K CA -0.369 55.947 56.287 0.047 0.000 0.913 621 K CB 0.822 33.380 32.500 0.098 0.000 1.067 621 K HN 0.937 nan 8.250 nan 0.000 0.479 622 A N 4.648 127.421 122.820 -0.078 0.000 2.327 622 A HA 0.373 4.692 4.320 -0.001 0.000 0.283 622 A C -0.555 177.164 177.584 0.225 0.000 1.127 622 A CA -0.609 51.455 52.037 0.045 0.000 0.810 622 A CB 0.585 19.569 19.000 -0.026 0.000 1.066 622 A HN 0.885 nan 8.150 nan 0.000 0.492 623 R N 2.017 122.763 120.500 0.411 0.000 2.439 623 R HA 0.601 4.940 4.340 -0.001 0.000 0.310 623 R C -1.927 174.642 176.300 0.448 0.000 0.955 623 R CA -0.254 56.079 56.100 0.388 0.000 0.853 623 R CB 1.386 31.897 30.300 0.351 0.000 1.171 623 R HN 0.502 nan 8.270 nan 0.000 0.449 624 V N 6.093 126.223 119.914 0.362 0.000 2.656 624 V HA 0.460 4.579 4.120 -0.001 0.000 0.307 624 V C -2.267 173.716 176.094 -0.184 0.000 1.051 624 V CA -2.305 60.094 62.300 0.165 0.000 0.893 624 V CB 1.913 33.810 31.823 0.125 0.000 0.999 624 V HN 0.781 nan 8.190 nan 0.000 0.426 625 P HA 0.219 nan 4.420 nan 0.000 0.271 625 P C -2.743 174.065 177.300 -0.820 0.000 1.244 625 P CA -1.369 60.814 63.100 -1.529 0.000 0.793 625 P CB -0.251 30.776 31.700 -1.122 0.000 0.984 626 P HA 0.080 nan 4.420 nan 0.000 0.264 626 P C 0.103 177.361 177.300 -0.070 0.000 1.193 626 P CA 0.629 63.537 63.100 -0.320 0.000 0.763 626 P CB -0.260 31.323 31.700 -0.194 0.000 0.810 627 M N 0.341 119.938 119.600 -0.005 0.000 2.253 627 M HA -0.213 4.267 4.480 -0.001 0.000 0.199 627 M C 0.568 177.077 176.300 0.348 0.000 0.342 627 M CA 0.990 56.430 55.300 0.234 0.000 0.417 627 M CB -2.058 30.761 32.600 0.364 0.000 1.338 627 M HN 0.579 nan 8.290 nan 0.000 0.920 628 G N -0.177 108.686 108.800 0.105 0.000 3.105 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.277 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.277 628 G C -1.331 173.707 174.900 0.230 0.000 1.375 628 G CA -0.978 44.152 45.100 0.050 0.000 0.962 628 G HN 0.179 nan 8.290 nan 0.000 0.541 629 L N -0.456 120.884 121.223 0.194 0.000 2.388 629 L HA 0.801 5.140 4.340 -0.001 0.000 0.264 629 L C -0.206 176.764 176.870 0.166 0.000 0.998 629 L CA -1.027 53.957 54.840 0.240 0.000 0.817 629 L CB 2.461 44.665 42.059 0.243 0.000 1.338 629 L HN 0.755 nan 8.230 nan 0.000 0.414 630 A N 0.859 123.817 122.820 0.231 0.000 2.422 630 A HA 0.819 5.139 4.320 -0.001 0.000 0.302 630 A C -0.788 176.942 177.584 0.243 0.000 1.041 630 A CA -0.450 51.702 52.037 0.192 0.000 0.708 630 A CB 1.762 20.919 19.000 0.263 0.000 1.257 630 A HN 0.559 nan 8.150 nan 0.000 0.414 631 T N 2.075 116.662 114.554 0.055 0.000 2.824 631 T HA 0.655 5.005 4.350 -0.001 0.000 0.280 631 T C -1.091 173.516 174.700 -0.156 0.000 0.995 631 T CA 0.209 62.393 62.100 0.140 0.000 1.009 631 T CB 0.383 69.335 68.868 0.139 0.000 0.955 631 T HN 0.439 nan 8.240 nan 0.000 0.452 632 Y N 0.316 120.703 120.300 0.144 0.000 2.602 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.342 632 Y C -0.330 175.492 175.900 -0.131 0.000 1.029 632 Y CA -1.171 56.925 58.100 -0.007 0.000 1.080 632 Y CB 1.681 40.147 38.460 0.010 0.000 1.284 632 Y HN 0.303 nan 8.280 nan 0.000 0.485 633 V N 3.093 122.968 119.914 -0.065 0.000 2.588 633 V HA 0.436 4.556 4.120 -0.001 0.000 0.304 633 V C -0.786 175.246 176.094 -0.103 0.000 1.042 633 V CA -0.959 61.237 62.300 -0.174 0.000 0.877 633 V CB 1.762 33.415 31.823 -0.284 0.000 0.996 633 V HN 0.496 nan 8.190 nan 0.000 0.425 634 L N 3.892 125.083 121.223 -0.054 0.000 2.296 634 L HA 0.678 5.017 4.340 -0.001 0.000 0.286 634 L C -0.121 176.764 176.870 0.025 0.000 1.023 634 L CA -0.130 54.695 54.840 -0.026 0.000 0.812 634 L CB 1.777 43.835 42.059 -0.002 0.000 1.223 634 L HN 0.606 nan 8.230 nan 0.000 0.421 635 T N 3.737 118.310 114.554 0.032 0.000 2.848 635 T HA 0.460 4.810 4.350 -0.001 0.000 0.285 635 T C -0.210 174.539 174.700 0.081 0.000 0.995 635 T CA -0.380 61.753 62.100 0.056 0.000 0.970 635 T CB 2.369 71.260 68.868 0.038 0.000 0.976 635 T HN 0.381 nan 8.240 nan 0.000 0.441 636 I N 3.203 123.830 120.570 0.095 0.000 2.581 636 I HA 0.515 4.685 4.170 -0.001 0.000 0.288 636 I C 0.338 176.520 176.117 0.108 0.000 1.047 636 I CA 0.185 61.557 61.300 0.121 0.000 1.374 636 I CB 0.724 38.798 38.000 0.123 0.000 1.423 636 I HN 0.825 nan 8.210 nan 0.000 0.549 637 S N 2.452 118.232 115.700 0.135 0.000 2.697 637 S HA 0.347 4.816 4.470 -0.001 0.000 0.289 637 S C 0.122 174.758 174.600 0.061 0.000 1.149 637 S CA -0.283 57.963 58.200 0.076 0.000 0.850 637 S CB 1.494 64.720 63.200 0.045 0.000 1.151 637 S HN 0.731 nan 8.310 nan 0.000 0.491 638 D N 0.771 121.152 120.400 -0.033 0.000 2.178 638 D HA 0.072 4.712 4.640 -0.001 0.000 0.202 638 D C 1.013 177.079 176.300 -0.390 0.000 0.974 638 D CA 1.282 55.223 54.000 -0.098 0.000 0.841 638 D CB -0.171 40.578 40.800 -0.085 0.000 0.953 638 D HN 0.688 nan 8.370 nan 0.000 0.478 639 S N -1.845 113.525 115.700 -0.548 0.000 2.720 639 S HA 0.375 4.844 4.470 -0.001 0.000 0.287 639 S C -0.829 173.323 174.600 -0.747 0.000 1.168 639 S CA -1.339 56.234 58.200 -1.045 0.000 0.832 639 S CB 1.195 64.068 63.200 -0.545 0.000 1.166 639 S HN -0.016 nan 8.310 nan 0.000 0.493 640 K N 1.908 121.959 120.400 -0.581 0.000 2.440 640 K HA 0.134 4.454 4.320 -0.001 0.000 0.275 640 K C -2.412 174.221 176.600 0.055 0.000 1.082 640 K CA -0.453 55.858 56.287 0.040 0.000 1.135 640 K CB -0.774 31.792 32.500 0.111 0.000 0.864 640 K HN 0.376 nan 8.250 nan 0.000 0.479 641 P HA -0.032 nan 4.420 nan 0.000 0.272 641 P C 0.659 177.986 177.300 0.045 0.000 1.223 641 P CA -0.229 62.924 63.100 0.088 0.000 0.784 641 P CB 0.688 32.464 31.700 0.127 0.000 0.923 642 E N 1.331 121.518 120.200 -0.022 0.000 2.097 642 E HA -0.257 4.093 4.350 -0.001 0.000 0.196 642 E C 0.557 176.987 176.600 -0.283 0.000 1.000 642 E CA 1.272 57.563 56.400 -0.182 0.000 0.804 642 E CB -0.054 29.460 29.700 -0.310 0.000 0.740 642 E HN 0.507 nan 8.360 nan 0.000 0.454 643 H N -0.834 118.247 119.070 0.018 0.000 2.505 643 H HA 0.218 4.774 4.556 -0.001 0.000 0.286 643 H C -0.403 174.920 175.328 -0.008 0.000 1.072 643 H CA 0.173 56.226 56.048 0.009 0.000 1.141 643 H CB 0.744 30.511 29.762 0.007 0.000 1.550 643 H HN -0.040 nan 8.280 nan 0.000 0.547 644 T N 1.511 116.091 114.554 0.042 0.000 2.792 644 T HA 0.319 4.669 4.350 -0.001 0.000 0.280 644 T C 0.343 174.924 174.700 -0.198 0.000 0.990 644 T CA -0.693 61.360 62.100 -0.078 0.000 0.960 644 T CB 2.174 70.991 68.868 -0.085 0.000 0.939 644 T HN 0.272 nan 8.240 nan 0.000 0.439 645 S N 2.288 117.824 115.700 -0.274 0.000 2.718 645 S HA 0.789 5.259 4.470 -0.001 0.000 0.300 645 S C -1.421 172.823 174.600 -0.594 0.000 1.117 645 S CA -0.815 57.235 58.200 -0.250 0.000 1.002 645 S CB 0.891 64.060 63.200 -0.051 0.000 1.092 645 S HN 0.574 nan 8.310 nan 0.000 0.542 646 Y N -0.037 120.270 120.300 0.012 0.000 2.391 646 Y HA 0.657 5.206 4.550 -0.001 0.000 0.341 646 Y C 0.577 176.527 175.900 0.085 0.000 0.965 646 Y CA -0.777 57.313 58.100 -0.017 0.000 1.067 646 Y CB 1.718 40.028 38.460 -0.249 0.000 1.199 646 Y HN 1.039 nan 8.280 nan 0.000 0.450 647 A N 1.975 124.985 122.820 0.317 0.000 2.407 647 A HA 0.487 4.807 4.320 -0.001 0.000 0.248 647 A C 0.306 178.089 177.584 0.332 0.000 1.082 647 A CA -0.286 51.925 52.037 0.290 0.000 0.785 647 A CB -0.069 19.104 19.000 0.289 0.000 1.020 647 A HN 0.773 nan 8.150 nan 0.000 0.489 648 S N 1.913 117.745 115.700 0.220 0.000 2.652 648 S HA 0.524 4.994 4.470 -0.001 0.000 0.270 648 S C -0.327 174.377 174.600 0.173 0.000 1.243 648 S CA -0.858 57.458 58.200 0.193 0.000 0.999 648 S CB 0.698 63.967 63.200 0.116 0.000 0.973 648 S HN 0.692 nan 8.310 nan 0.000 0.544 649 N N 0.442 119.221 118.700 0.133 0.000 2.310 649 N HA 0.479 5.219 4.740 -0.001 0.000 0.292 649 N C -1.999 173.462 175.510 -0.082 0.000 1.049 649 N CA -0.524 52.562 53.050 0.060 0.000 0.849 649 N CB 2.029 40.642 38.487 0.209 0.000 1.532 649 N HN 0.591 nan 8.380 nan 0.000 0.479 650 L N 2.600 123.729 121.223 -0.156 0.000 2.404 650 L HA 0.486 4.826 4.340 -0.001 0.000 0.272 650 L C -1.551 175.170 176.870 -0.249 0.000 0.980 650 L CA -0.541 54.179 54.840 -0.201 0.000 0.836 650 L CB 1.489 43.486 42.059 -0.105 0.000 1.238 650 L HN 0.430 nan 8.230 nan 0.000 0.408 651 L N 6.674 127.702 121.223 -0.325 0.000 2.265 651 L HA 0.467 4.806 4.340 -0.001 0.000 0.289 651 L C -1.191 175.661 176.870 -0.031 0.000 1.033 651 L CA -0.383 54.330 54.840 -0.211 0.000 0.814 651 L CB 1.247 43.179 42.059 -0.212 0.000 1.203 651 L HN 0.690 nan 8.230 nan 0.000 0.423 652 L N 7.287 128.507 121.223 -0.005 0.000 2.262 652 L HA 0.564 4.904 4.340 -0.001 0.000 0.288 652 L C -0.119 176.792 176.870 0.067 0.000 1.035 652 L CA -0.442 54.423 54.840 0.042 0.000 0.820 652 L CB 0.868 42.943 42.059 0.027 0.000 1.204 652 L HN 0.639 nan 8.230 nan 0.000 0.424 653 R N 1.991 122.541 120.500 0.083 0.000 2.687 653 R HA 0.435 4.774 4.340 -0.001 0.000 0.265 653 R C -1.609 174.725 176.300 0.055 0.000 1.048 653 R CA -1.130 55.012 56.100 0.069 0.000 0.884 653 R CB 1.374 31.713 30.300 0.065 0.000 1.258 653 R HN 0.225 nan 8.270 nan 0.000 0.469 654 K N 1.340 121.761 120.400 0.035 0.000 2.258 654 K HA 0.086 4.406 4.320 -0.001 0.000 0.264 654 K C -0.057 176.538 176.600 -0.008 0.000 1.007 654 K CA -0.183 56.114 56.287 0.017 0.000 0.941 654 K CB 0.229 32.738 32.500 0.014 0.000 0.966 654 K HN 0.815 nan 8.250 nan 0.000 0.480 655 N N 0.654 119.338 118.700 -0.027 0.000 2.746 655 N HA -0.107 4.633 4.740 -0.001 0.000 0.250 655 N C -2.612 172.841 175.510 -0.093 0.000 1.055 655 N CA 0.083 53.098 53.050 -0.058 0.000 0.699 655 N CB -0.749 37.708 38.487 -0.051 0.000 0.919 655 N HN 0.396 nan 8.380 nan 0.000 0.548 656 P HA 0.279 nan 4.420 nan 0.000 0.276 656 P C -0.232 176.889 177.300 -0.298 0.000 1.244 656 P CA -0.104 62.886 63.100 -0.183 0.000 0.801 656 P CB 0.975 32.540 31.700 -0.225 0.000 1.006 657 T N -2.567 111.815 114.554 -0.286 0.000 2.930 657 T HA 0.487 4.836 4.350 -0.001 0.000 0.290 657 T C 0.298 174.808 174.700 -0.316 0.000 1.052 657 T CA -0.767 61.170 62.100 -0.271 0.000 1.017 657 T CB 0.588 69.372 68.868 -0.141 0.000 1.137 657 T HN 0.477 nan 8.240 nan 0.000 0.511 658 S N 0.638 116.206 115.700 -0.219 0.000 2.566 658 S HA 0.334 4.803 4.470 -0.001 0.000 0.280 658 S C -0.156 174.545 174.600 0.169 0.000 1.343 658 S CA -0.716 57.453 58.200 -0.053 0.000 1.036 658 S CB -0.368 62.826 63.200 -0.010 0.000 0.866 658 S HN 0.688 nan 8.310 nan 0.000 0.526 659 L N 2.379 123.813 121.223 0.352 0.000 2.481 659 L HA 0.367 4.706 4.340 -0.001 0.000 0.255 659 L C -2.375 174.610 176.870 0.191 0.000 1.192 659 L CA -1.646 53.375 54.840 0.301 0.000 0.924 659 L CB 1.635 43.956 42.059 0.438 0.000 1.179 659 L HN 0.592 nan 8.230 nan 0.000 0.491 660 P HA 0.172 nan 4.420 nan 0.000 0.271 660 P C -0.028 177.274 177.300 0.003 0.000 1.218 660 P CA -0.133 63.006 63.100 0.065 0.000 0.780 660 P CB 1.619 33.344 31.700 0.043 0.000 0.901 661 L N 1.060 122.296 121.223 0.021 0.000 3.366 661 L HA 0.279 4.619 4.340 -0.001 0.000 0.304 661 L C 1.405 178.345 176.870 0.118 0.000 1.292 661 L CA -0.083 54.747 54.840 -0.016 0.000 1.012 661 L CB 0.046 42.072 42.059 -0.055 0.000 1.414 661 L HN 0.724 nan 8.230 nan 0.000 0.603 662 G N 1.082 109.930 108.800 0.081 0.000 2.622 662 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.307 662 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.307 662 G C 0.579 175.536 174.900 0.094 0.000 1.226 662 G CA 0.741 45.905 45.100 0.106 0.000 0.997 662 G HN 0.451 nan 8.290 nan 0.000 0.551 663 Q N -0.549 119.289 119.800 0.063 0.000 2.436 663 Q HA 0.115 4.454 4.340 -0.001 0.000 0.209 663 Q C 0.912 176.740 176.000 -0.287 0.000 0.965 663 Q CA 0.389 56.117 55.803 -0.125 0.000 0.910 663 Q CB 0.201 28.771 28.738 -0.279 0.000 0.980 663 Q HN 0.503 nan 8.270 nan 0.000 0.491 664 Y N 3.967 124.075 120.300 -0.319 0.000 2.802 664 Y HA -0.054 4.496 4.550 -0.001 0.000 0.333 664 Y C -1.408 174.348 175.900 -0.242 0.000 1.244 664 Y CA -1.534 56.363 58.100 -0.339 0.000 1.558 664 Y CB 0.799 39.225 38.460 -0.057 0.000 1.233 664 Y HN 0.053 nan 8.280 nan 0.000 0.547 665 P HA -0.056 nan 4.420 nan 0.000 0.237 665 P C -0.448 176.694 177.300 -0.263 0.000 1.178 665 P CA 0.794 63.625 63.100 -0.448 0.000 0.766 665 P CB 0.453 31.776 31.700 -0.628 0.000 0.876 666 E N 0.766 120.842 120.200 -0.207 0.000 2.176 666 E HA 0.257 4.607 4.350 -0.001 0.000 0.267 666 E C -0.791 175.924 176.600 0.193 0.000 0.893 666 E CA -0.706 55.712 56.400 0.031 0.000 0.761 666 E CB 0.469 30.227 29.700 0.097 0.000 1.133 666 E HN -0.137 nan 8.360 nan 0.000 0.409 667 D N 2.039 122.515 120.400 0.127 0.000 2.389 667 D HA 0.085 4.724 4.640 -0.001 0.000 0.247 667 D C -0.084 176.285 176.300 0.115 0.000 1.128 667 D CA -0.185 53.897 54.000 0.136 0.000 0.884 667 D CB 1.030 41.896 40.800 0.109 0.000 1.194 667 D HN 0.145 nan 8.370 nan 0.000 0.441 668 V N 3.643 123.613 119.914 0.093 0.000 2.673 668 V HA -0.039 4.081 4.120 -0.001 0.000 0.303 668 V C 0.833 176.768 176.094 -0.264 0.000 1.046 668 V CA 0.171 62.423 62.300 -0.079 0.000 1.126 668 V CB 0.327 32.079 31.823 -0.117 0.000 0.934 668 V HN 0.312 nan 8.190 nan 0.000 0.487 669 K N 3.910 124.095 120.400 -0.359 0.000 2.123 669 K HA 0.663 4.983 4.320 -0.001 0.000 0.248 669 K C -0.938 175.279 176.600 -0.639 0.000 0.969 669 K CA -0.352 55.752 56.287 -0.305 0.000 0.882 669 K CB 1.674 34.118 32.500 -0.094 0.000 1.080 669 K HN 0.410 nan 8.250 nan 0.000 0.441 670 F N -0.945 119.020 119.950 0.024 0.000 2.577 670 F HA 0.683 5.209 4.527 -0.001 0.000 0.318 670 F C 0.602 176.408 175.800 0.010 0.000 1.065 670 F CA -0.681 57.325 58.000 0.009 0.000 0.929 670 F CB 2.726 41.730 39.000 0.007 0.000 1.237 670 F HN 0.597 nan 8.300 nan 0.000 0.468 671 G N 0.397 109.305 108.800 0.180 0.000 2.632 671 G HA2 0.410 4.369 3.960 -0.001 0.000 0.292 671 G HA3 0.410 4.369 3.960 -0.001 0.000 0.292 671 G C -2.144 172.810 174.900 0.089 0.000 1.465 671 G CA -0.842 44.322 45.100 0.106 0.000 0.824 671 G HN 0.373 nan 8.290 nan 0.000 0.509 672 D N 0.837 121.277 120.400 0.066 0.000 2.362 672 D HA 0.366 5.005 4.640 -0.001 0.000 0.242 672 D C -1.984 174.347 176.300 0.051 0.000 1.132 672 D CA -0.637 53.395 54.000 0.054 0.000 0.907 672 D CB 0.982 41.808 40.800 0.043 0.000 1.195 672 D HN 0.008 nan 8.370 nan 0.000 0.429 673 P HA 0.034 nan 4.420 nan 0.000 0.263 673 P C -0.431 176.899 177.300 0.049 0.000 1.175 673 P CA 0.494 63.626 63.100 0.052 0.000 0.761 673 P CB 0.379 32.112 31.700 0.055 0.000 0.794 674 R N 0.523 121.054 120.500 0.053 0.000 2.690 674 R HA 0.415 4.754 4.340 -0.001 0.000 0.269 674 R C -1.123 175.217 176.300 0.067 0.000 1.037 674 R CA -1.025 55.106 56.100 0.052 0.000 0.877 674 R CB 1.131 31.457 30.300 0.044 0.000 1.255 674 R HN 0.234 nan 8.270 nan 0.000 0.467 675 E N 1.882 122.122 120.200 0.067 0.000 2.415 675 E HA 0.217 4.566 4.350 -0.001 0.000 0.262 675 E C 0.019 176.677 176.600 0.097 0.000 1.038 675 E CA 0.102 56.556 56.400 0.089 0.000 0.921 675 E CB 0.761 30.498 29.700 0.062 0.000 0.950 675 E HN 0.446 nan 8.360 nan 0.000 0.438 676 I N -1.951 118.711 120.570 0.154 0.000 2.969 676 I HA 0.575 4.745 4.170 -0.001 0.000 0.307 676 I C -0.633 175.629 176.117 0.242 0.000 1.149 676 I CA -0.931 60.461 61.300 0.153 0.000 1.008 676 I CB 2.345 40.409 38.000 0.106 0.000 1.232 676 I HN 0.240 nan 8.210 nan 0.000 0.435 677 S N 3.981 119.795 115.700 0.189 0.000 2.536 677 S HA 0.854 5.324 4.470 -0.001 0.000 0.287 677 S C -1.183 173.535 174.600 0.195 0.000 1.101 677 S CA -0.534 57.789 58.200 0.205 0.000 0.950 677 S CB 1.318 64.587 63.200 0.115 0.000 1.056 677 S HN 0.642 nan 8.310 nan 0.000 0.481 678 L N 3.320 124.685 121.223 0.237 0.000 2.409 678 L HA 0.696 5.035 4.340 -0.001 0.000 0.262 678 L C -0.427 176.538 176.870 0.158 0.000 0.992 678 L CA -0.743 54.209 54.840 0.186 0.000 0.817 678 L CB 2.419 44.604 42.059 0.210 0.000 1.350 678 L HN 0.659 nan 8.230 nan 0.000 0.411 679 R N 1.742 122.312 120.500 0.116 0.000 2.515 679 R HA 0.655 4.995 4.340 -0.001 0.000 0.291 679 R C -2.014 174.334 176.300 0.080 0.000 1.046 679 R CA -0.476 55.680 56.100 0.093 0.000 0.914 679 R CB 2.251 32.597 30.300 0.078 0.000 1.191 679 R HN 0.401 nan 8.270 nan 0.000 0.435 680 V N 4.617 124.576 119.914 0.075 0.000 2.435 680 V HA 0.561 4.681 4.120 -0.001 0.000 0.290 680 V C 1.099 177.225 176.094 0.054 0.000 1.030 680 V CA 0.615 62.954 62.300 0.065 0.000 0.881 680 V CB 1.124 32.988 31.823 0.068 0.000 0.983 680 V HN 1.113 nan 8.190 nan 0.000 0.445 681 G N 5.034 113.863 108.800 0.049 0.000 2.596 681 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.295 681 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.295 681 G C 0.451 175.373 174.900 0.036 0.000 1.240 681 G CA 0.577 45.702 45.100 0.041 0.000 0.985 681 G HN 0.693 nan 8.290 nan 0.000 0.555 682 N N 2.404 121.121 118.700 0.029 0.000 2.279 682 N HA 0.278 5.017 4.740 -0.001 0.000 0.226 682 N C 1.075 176.595 175.510 0.018 0.000 1.126 682 N CA 0.868 53.931 53.050 0.021 0.000 0.846 682 N CB 0.495 38.992 38.487 0.016 0.000 1.050 682 N HN 0.805 nan 8.380 nan 0.000 0.502 683 G N 1.596 110.411 108.800 0.025 0.000 2.508 683 G HA2 0.259 4.219 3.960 -0.001 0.000 0.278 683 G HA3 0.259 4.219 3.960 -0.001 0.000 0.278 683 G C -2.383 172.528 174.900 0.019 0.000 1.389 683 G CA -0.684 44.430 45.100 0.023 0.000 1.050 683 G HN -0.004 nan 8.290 nan 0.000 0.522 684 P HA 0.209 nan 4.420 nan 0.000 0.272 684 P C -0.501 176.819 177.300 0.033 0.000 1.230 684 P CA 0.025 63.131 63.100 0.009 0.000 0.788 684 P CB 0.791 32.493 31.700 0.003 0.000 0.949 685 T N 2.325 116.897 114.554 0.029 0.000 2.749 685 T HA 0.462 4.811 4.350 -0.001 0.000 0.287 685 T C 0.017 174.756 174.700 0.066 0.000 0.970 685 T CA -0.362 61.781 62.100 0.071 0.000 0.980 685 T CB 0.083 69.008 68.868 0.097 0.000 0.924 685 T HN 0.171 nan 8.240 nan 0.000 0.456 686 L N 2.647 123.914 121.223 0.073 0.000 2.329 686 L HA 0.787 5.127 4.340 -0.001 0.000 0.279 686 L C 0.167 176.981 176.870 -0.093 0.000 1.014 686 L CA -1.175 53.628 54.840 -0.061 0.000 0.814 686 L CB 1.585 43.591 42.059 -0.088 0.000 1.257 686 L HN 0.641 nan 8.230 nan 0.000 0.424 687 A N 3.055 125.729 122.820 -0.243 0.000 2.337 687 A HA 0.866 5.186 4.320 -0.001 0.000 0.329 687 A C -1.218 176.142 177.584 -0.374 0.000 1.146 687 A CA -0.308 51.642 52.037 -0.144 0.000 0.800 687 A CB 0.833 19.790 19.000 -0.072 0.000 1.220 687 A HN 0.500 nan 8.150 nan 0.000 0.472 688 F N 0.793 120.787 119.950 0.073 0.000 2.546 688 F HA 0.532 5.059 4.527 -0.001 0.000 0.320 688 F C 1.094 176.943 175.800 0.082 0.000 1.076 688 F CA -0.317 57.744 58.000 0.101 0.000 0.928 688 F CB 2.151 41.213 39.000 0.104 0.000 1.189 688 F HN 0.675 nan 8.300 nan 0.000 0.465 689 S N 0.006 115.871 115.700 0.275 0.000 2.608 689 S HA 0.081 4.550 4.470 -0.001 0.000 0.261 689 S C 1.072 175.779 174.600 0.179 0.000 1.314 689 S CA -0.051 58.257 58.200 0.179 0.000 0.992 689 S CB 0.676 63.978 63.200 0.170 0.000 0.935 689 S HN 0.861 nan 8.310 nan 0.000 0.564 690 E N 0.004 120.276 120.200 0.120 0.000 2.401 690 E HA -0.231 4.119 4.350 -0.001 0.000 0.199 690 E C 1.308 177.972 176.600 0.107 0.000 1.023 690 E CA 1.159 57.620 56.400 0.101 0.000 0.859 690 E CB -0.424 29.320 29.700 0.072 0.000 0.780 690 E HN 0.787 nan 8.360 nan 0.000 0.523 691 Q N -0.077 119.803 119.800 0.132 0.000 2.320 691 Q HA 0.202 4.541 4.340 -0.001 0.000 0.201 691 Q C 0.832 176.926 176.000 0.156 0.000 0.910 691 Q CA 0.416 56.297 55.803 0.131 0.000 0.946 691 Q CB 0.947 29.765 28.738 0.134 0.000 1.062 691 Q HN 0.484 nan 8.270 nan 0.000 0.503 692 G N 0.607 109.519 108.800 0.187 0.000 2.147 692 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 692 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 692 G C -0.296 174.832 174.900 0.379 0.000 1.005 692 G CA -0.144 45.071 45.100 0.191 0.000 0.713 692 G HN 0.261 nan 8.290 nan 0.000 0.515 693 L N -0.189 121.302 121.223 0.446 0.000 2.329 693 L HA 0.656 4.996 4.340 -0.001 0.000 0.279 693 L C 0.797 177.975 176.870 0.514 0.000 1.014 693 L CA -1.405 53.740 54.840 0.510 0.000 0.814 693 L CB 1.603 43.872 42.059 0.351 0.000 1.257 693 L HN 0.127 nan 8.230 nan 0.000 0.424 694 L N 3.552 125.052 121.223 0.462 0.000 2.559 694 L HA -0.074 4.266 4.340 -0.001 0.000 0.282 694 L C 1.075 178.026 176.870 0.135 0.000 1.232 694 L CA 0.980 55.844 54.840 0.040 0.000 0.885 694 L CB 0.156 42.272 42.059 0.095 0.000 1.131 694 L HN 0.798 nan 8.230 nan 0.000 0.498 695 K N 1.383 121.761 120.400 -0.038 0.000 2.474 695 K HA 0.316 4.635 4.320 -0.001 0.000 0.204 695 K C -0.078 176.470 176.600 -0.086 0.000 1.220 695 K CA 0.317 56.603 56.287 -0.002 0.000 0.966 695 K CB 0.446 32.920 32.500 -0.043 0.000 1.049 695 K HN 0.597 nan 8.250 nan 0.000 0.554 696 S N 0.367 115.988 115.700 -0.131 0.000 2.565 696 S HA 0.595 5.064 4.470 -0.001 0.000 0.269 696 S C -1.105 173.441 174.600 -0.090 0.000 1.153 696 S CA -1.005 57.142 58.200 -0.089 0.000 0.835 696 S CB 1.326 64.516 63.200 -0.018 0.000 1.122 696 S HN 0.179 nan 8.310 nan 0.000 0.462 697 I N 1.380 121.915 120.570 -0.058 0.000 2.498 697 I HA 0.466 4.636 4.170 -0.001 0.000 0.290 697 I C -0.615 175.472 176.117 -0.051 0.000 1.032 697 I CA -0.395 60.873 61.300 -0.053 0.000 1.073 697 I CB 2.171 40.127 38.000 -0.073 0.000 1.251 697 I HN 0.727 nan 8.210 nan 0.000 0.426 698 Q N 6.005 125.766 119.800 -0.064 0.000 2.357 698 Q HA 0.416 4.756 4.340 -0.001 0.000 0.266 698 Q C 0.040 175.974 176.000 -0.111 0.000 1.021 698 Q CA -0.514 55.184 55.803 -0.176 0.000 0.784 698 Q CB 1.694 30.197 28.738 -0.391 0.000 1.243 698 Q HN 0.777 nan 8.270 nan 0.000 0.465 699 L N 1.919 123.084 121.223 -0.098 0.000 2.046 699 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 699 L C 1.191 178.028 176.870 -0.056 0.000 1.077 699 L CA 1.315 56.116 54.840 -0.065 0.000 0.747 699 L CB -0.330 41.693 42.059 -0.060 0.000 0.896 699 L HN 0.651 nan 8.230 nan 0.000 0.432 700 T N -4.969 109.543 114.554 -0.071 0.000 2.901 700 T HA 0.196 4.545 4.350 -0.001 0.000 0.293 700 T C 0.589 175.250 174.700 -0.065 0.000 1.084 700 T CA -0.893 61.176 62.100 -0.053 0.000 1.008 700 T CB 1.706 70.548 68.868 -0.044 0.000 1.170 700 T HN 0.087 nan 8.240 nan 0.000 0.509 701 Q N 1.637 121.414 119.800 -0.038 0.000 2.170 701 Q HA -0.178 4.162 4.340 -0.001 0.000 0.203 701 Q C 1.243 177.219 176.000 -0.041 0.000 0.976 701 Q CA 2.172 57.957 55.803 -0.030 0.000 0.858 701 Q CB -0.678 28.057 28.738 -0.004 0.000 0.907 701 Q HN 0.957 nan 8.270 nan 0.000 0.433 702 D N 1.227 121.603 120.400 -0.040 0.000 2.289 702 D HA -0.054 4.586 4.640 -0.001 0.000 0.207 702 D C 0.775 177.039 176.300 -0.060 0.000 0.966 702 D CA 0.637 54.615 54.000 -0.037 0.000 0.868 702 D CB 0.019 40.803 40.800 -0.025 0.000 0.943 702 D HN 0.237 nan 8.370 nan 0.000 0.514 703 S N 0.948 116.596 115.700 -0.087 0.000 2.624 703 S HA 0.384 4.854 4.470 -0.001 0.000 0.263 703 S C -2.581 171.921 174.600 -0.162 0.000 1.287 703 S CA -1.154 56.985 58.200 -0.102 0.000 0.990 703 S CB 0.951 64.095 63.200 -0.094 0.000 0.950 703 S HN -0.118 nan 8.310 nan 0.000 0.561 704 P HA 0.203 nan 4.420 nan 0.000 0.272 704 P C -0.652 176.515 177.300 -0.222 0.000 1.223 704 P CA -0.243 62.782 63.100 -0.126 0.000 0.784 704 P CB 0.145 31.817 31.700 -0.048 0.000 0.923 705 H N 0.656 119.711 119.070 -0.024 0.000 3.067 705 H HA 0.141 4.696 4.556 -0.001 0.000 0.265 705 H C -0.167 175.130 175.328 -0.051 0.000 1.234 705 H CA -0.284 55.741 56.048 -0.038 0.000 1.452 705 H CB -0.287 29.455 29.762 -0.033 0.000 1.527 705 H HN 0.105 nan 8.280 nan 0.000 0.486 706 V N 6.614 126.524 119.914 -0.006 0.000 2.470 706 V HA 0.047 4.167 4.120 -0.001 0.000 0.276 706 V C -1.870 174.178 176.094 -0.077 0.000 1.040 706 V CA -1.514 60.761 62.300 -0.041 0.000 1.008 706 V CB 0.624 32.410 31.823 -0.062 0.000 0.990 706 V HN 0.518 nan 8.190 nan 0.000 0.477 707 P HA 0.158 nan 4.420 nan 0.000 0.266 707 P C -0.766 176.401 177.300 -0.223 0.000 1.215 707 P CA 0.285 63.258 63.100 -0.211 0.000 0.763 707 P CB 0.443 31.895 31.700 -0.412 0.000 0.806 708 V N 4.258 124.068 119.914 -0.173 0.000 2.555 708 V HA 0.222 4.342 4.120 -0.001 0.000 0.283 708 V C -0.732 175.271 176.094 -0.151 0.000 1.020 708 V CA -0.447 61.735 62.300 -0.197 0.000 0.883 708 V CB 1.160 32.854 31.823 -0.214 0.000 1.030 708 V HN 0.541 nan 8.190 nan 0.000 0.448 709 H N 4.373 123.290 119.070 -0.256 0.000 2.466 709 H HA 0.693 5.248 4.556 -0.001 0.000 0.338 709 H C -1.262 173.944 175.328 -0.203 0.000 1.091 709 H CA -0.976 54.969 56.048 -0.172 0.000 1.207 709 H CB 1.215 30.917 29.762 -0.100 0.000 1.466 709 H HN 0.385 nan 8.280 nan 0.000 0.493 710 F N 3.761 123.429 119.950 -0.471 0.000 2.384 710 F HA 0.385 4.911 4.527 -0.001 0.000 0.338 710 F C 0.403 175.686 175.800 -0.861 0.000 1.103 710 F CA -0.077 57.593 58.000 -0.550 0.000 1.157 710 F CB 0.940 39.757 39.000 -0.305 0.000 1.167 710 F HN 0.457 nan 8.300 nan 0.000 0.529 711 K N 3.096 123.242 120.400 -0.424 0.000 2.523 711 K HA 0.507 4.827 4.320 -0.001 0.000 0.257 711 K C -1.986 174.358 176.600 -0.426 0.000 0.932 711 K CA -0.577 55.509 56.287 -0.335 0.000 0.812 711 K CB 1.378 33.751 32.500 -0.212 0.000 1.326 711 K HN 0.396 nan 8.250 nan 0.000 0.433 712 F N 3.734 123.609 119.950 -0.125 0.000 2.436 712 F HA 0.503 5.029 4.527 -0.001 0.000 0.340 712 F C -0.389 175.370 175.800 -0.069 0.000 1.113 712 F CA -0.581 57.358 58.000 -0.100 0.000 1.022 712 F CB 1.222 40.147 39.000 -0.124 0.000 1.128 712 F HN 0.244 nan 8.300 nan 0.000 0.466 713 L N 2.694 123.959 121.223 0.071 0.000 2.303 713 L HA 0.629 4.969 4.340 -0.001 0.000 0.256 713 L C -1.118 175.746 176.870 -0.011 0.000 1.034 713 L CA -1.009 53.823 54.840 -0.013 0.000 0.832 713 L CB 2.279 44.266 42.059 -0.119 0.000 1.403 713 L HN 0.488 nan 8.230 nan 0.000 0.419 714 K N -0.350 120.006 120.400 -0.073 0.000 2.427 714 K HA 0.657 4.977 4.320 -0.001 0.000 0.252 714 K C -1.776 174.762 176.600 -0.103 0.000 0.931 714 K CA -0.811 55.464 56.287 -0.019 0.000 0.793 714 K CB 1.774 34.294 32.500 0.034 0.000 1.211 714 K HN 0.262 nan 8.250 nan 0.000 0.426 715 Y N 0.508 120.870 120.300 0.105 0.000 2.419 715 Y HA 0.516 5.066 4.550 -0.001 0.000 0.328 715 Y C 1.018 176.976 175.900 0.097 0.000 1.162 715 Y CA 0.014 58.187 58.100 0.122 0.000 1.174 715 Y CB 2.131 40.735 38.460 0.239 0.000 1.228 715 Y HN 0.919 nan 8.280 nan 0.000 0.473 716 G N 0.385 109.331 108.800 0.244 0.000 2.971 716 G HA2 0.638 4.598 3.960 -0.001 0.000 0.235 716 G HA3 0.638 4.598 3.960 -0.001 0.000 0.235 716 G C -1.459 173.514 174.900 0.123 0.000 1.351 716 G CA -0.740 44.445 45.100 0.142 0.000 1.039 716 G HN 0.434 nan 8.290 nan 0.000 0.563 717 V N -0.225 119.728 119.914 0.064 0.000 2.914 717 V HA 0.477 4.597 4.120 -0.001 0.000 0.314 717 V C -0.093 175.999 176.094 -0.003 0.000 1.084 717 V CA -0.873 61.447 62.300 0.034 0.000 0.963 717 V CB 1.981 33.824 31.823 0.033 0.000 1.025 717 V HN 0.673 nan 8.190 nan 0.000 0.432 718 R N 1.234 121.722 120.500 -0.020 0.000 2.543 718 R HA 0.210 4.550 4.340 -0.001 0.000 0.277 718 R C 1.243 177.489 176.300 -0.091 0.000 1.074 718 R CA 0.452 56.526 56.100 -0.044 0.000 1.076 718 R CB 0.725 31.010 30.300 -0.024 0.000 0.993 718 R HN 0.932 nan 8.270 nan 0.000 0.459 719 S N 1.547 117.131 115.700 -0.193 0.000 2.478 719 S HA 0.016 4.486 4.470 -0.001 0.000 0.222 719 S C 0.491 174.801 174.600 -0.483 0.000 1.008 719 S CA 0.194 58.185 58.200 -0.348 0.000 0.928 719 S CB 0.113 63.039 63.200 -0.457 0.000 0.781 719 S HN 0.548 nan 8.310 nan 0.000 0.518 720 H N 0.715 119.786 119.070 0.001 0.000 2.679 720 H HA 0.630 5.186 4.556 -0.001 0.000 0.367 720 H C 1.114 176.439 175.328 -0.005 0.000 1.162 720 H CA -0.098 55.949 56.048 -0.002 0.000 1.181 720 H CB 1.051 30.812 29.762 -0.002 0.000 1.693 720 H HN 0.426 nan 8.280 nan 0.000 0.538 721 G N 2.015 110.887 108.800 0.120 0.000 2.553 721 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.242 721 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.242 721 G C -0.759 174.156 174.900 0.025 0.000 1.277 721 G CA -0.301 44.833 45.100 0.056 0.000 0.910 721 G HN 0.621 nan 8.290 nan 0.000 0.576 722 D N 1.309 121.714 120.400 0.010 0.000 2.350 722 D HA 0.559 5.198 4.640 -0.001 0.000 0.249 722 D C 0.908 177.203 176.300 -0.009 0.000 1.119 722 D CA 0.181 54.178 54.000 -0.005 0.000 0.886 722 D CB 0.944 41.736 40.800 -0.015 0.000 1.195 722 D HN 0.445 nan 8.370 nan 0.000 0.437 723 R N 0.514 121.008 120.500 -0.010 0.000 2.474 723 R HA 0.339 4.679 4.340 -0.001 0.000 0.295 723 R C 0.082 176.381 176.300 -0.001 0.000 0.980 723 R CA -0.509 55.589 56.100 -0.004 0.000 0.934 723 R CB 1.010 31.311 30.300 0.002 0.000 1.101 723 R HN 0.231 nan 8.270 nan 0.000 0.469 724 S N 0.520 116.229 115.700 0.015 0.000 2.558 724 S HA 0.412 4.881 4.470 -0.001 0.000 0.287 724 S C 0.469 175.091 174.600 0.038 0.000 1.321 724 S CA 0.388 58.613 58.200 0.041 0.000 1.048 724 S CB 0.832 64.088 63.200 0.093 0.000 0.844 724 S HN 0.758 nan 8.310 nan 0.000 0.512 725 G N -0.112 108.712 108.800 0.040 0.000 2.846 725 G HA2 0.588 4.547 3.960 -0.001 0.000 0.299 725 G HA3 0.588 4.547 3.960 -0.001 0.000 0.299 725 G C 0.518 175.443 174.900 0.041 0.000 1.242 725 G CA -0.134 44.995 45.100 0.048 0.000 0.800 725 G HN 0.710 nan 8.290 nan 0.000 0.538 726 A N -1.270 121.563 122.820 0.021 0.000 1.972 726 A HA 0.086 4.406 4.320 -0.001 0.000 0.219 726 A C 1.904 179.404 177.584 -0.139 0.000 1.169 726 A CA 1.988 53.980 52.037 -0.075 0.000 0.635 726 A CB -0.620 18.278 19.000 -0.170 0.000 0.810 726 A HN 0.589 nan 8.150 nan 0.000 0.446 727 Y N -0.762 119.483 120.300 -0.093 0.000 2.266 727 Y HA 0.333 4.882 4.550 -0.001 0.000 0.294 727 Y C 0.901 176.702 175.900 -0.166 0.000 1.127 727 Y CA 0.085 58.060 58.100 -0.208 0.000 1.140 727 Y CB -0.148 37.848 38.460 -0.774 0.000 1.071 727 Y HN 0.020 nan 8.280 nan 0.000 0.525 728 L N 0.536 121.726 121.223 -0.055 0.000 2.312 728 L HA 0.208 4.548 4.340 -0.001 0.000 0.281 728 L C -1.126 175.799 176.870 0.092 0.000 1.070 728 L CA -0.585 54.222 54.840 -0.055 0.000 0.805 728 L CB 0.961 42.934 42.059 -0.144 0.000 1.174 728 L HN 0.032 nan 8.230 nan 0.000 0.434 729 F N 4.885 124.783 119.950 -0.087 0.000 2.332 729 F HA 0.468 4.994 4.527 -0.001 0.000 0.368 729 F C -0.689 175.039 175.800 -0.119 0.000 1.110 729 F CA -1.146 56.765 58.000 -0.148 0.000 1.087 729 F CB 0.624 39.469 39.000 -0.257 0.000 1.235 729 F HN 0.212 nan 8.300 nan 0.000 0.470 730 L N 9.121 130.255 121.223 -0.147 0.000 2.556 730 L HA 0.335 4.674 4.340 -0.001 0.000 0.243 730 L C -2.321 174.381 176.870 -0.281 0.000 1.331 730 L CA -1.743 52.957 54.840 -0.233 0.000 0.927 730 L CB 0.920 42.930 42.059 -0.081 0.000 1.219 730 L HN 0.387 nan 8.230 nan 0.000 0.490 731 P HA 0.036 nan 4.420 nan 0.000 0.272 731 P C -0.476 176.751 177.300 -0.121 0.000 1.223 731 P CA -0.284 62.629 63.100 -0.312 0.000 0.784 731 P CB 0.578 31.962 31.700 -0.527 0.000 0.923 732 N N 0.967 119.666 118.700 -0.001 0.000 3.250 732 N HA 0.273 5.012 4.740 -0.001 0.000 0.307 732 N C 0.641 176.170 175.510 0.032 0.000 1.355 732 N CA -0.180 52.874 53.050 0.008 0.000 1.192 732 N CB -0.803 37.693 38.487 0.014 0.000 1.478 732 N HN 0.738 nan 8.380 nan 0.000 0.543 733 G N 0.744 109.559 108.800 0.025 0.000 2.655 733 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G C -3.082 171.894 174.900 0.127 0.000 1.302 733 G CA -1.135 43.994 45.100 0.048 0.000 0.872 733 G HN 0.348 nan 8.290 nan 0.000 0.540 734 P HA 0.443 nan 4.420 nan 0.000 0.268 734 P C 0.571 177.833 177.300 -0.065 0.000 1.208 734 P CA 0.690 63.852 63.100 0.104 0.000 0.777 734 P CB 0.389 32.117 31.700 0.046 0.000 0.875 735 A N 2.295 124.882 122.820 -0.389 0.000 2.466 735 A HA 0.345 4.665 4.320 -0.001 0.000 0.238 735 A C 0.225 177.657 177.584 -0.253 0.000 1.074 735 A CA 0.377 52.031 52.037 -0.639 0.000 0.774 735 A CB -0.272 18.094 19.000 -1.058 0.000 1.015 735 A HN 0.479 nan 8.150 nan 0.000 0.498 736 S N 2.393 117.983 115.700 -0.183 0.000 2.501 736 S HA 0.582 5.052 4.470 -0.001 0.000 0.301 736 S C -2.691 171.872 174.600 -0.062 0.000 1.096 736 S CA -1.016 57.134 58.200 -0.083 0.000 1.063 736 S CB 1.328 64.501 63.200 -0.045 0.000 1.042 736 S HN 0.571 nan 8.310 nan 0.000 0.494 737 P HA 0.071 nan 4.420 nan 0.000 0.266 737 P C -0.672 176.637 177.300 0.015 0.000 1.195 737 P CA -0.286 62.815 63.100 0.001 0.000 0.768 737 P CB 0.257 31.969 31.700 0.021 0.000 0.838 738 V N 3.929 123.866 119.914 0.037 0.000 2.585 738 V HA -0.049 4.071 4.120 -0.001 0.000 0.296 738 V C 0.975 177.088 176.094 0.032 0.000 1.035 738 V CA 0.334 62.655 62.300 0.036 0.000 1.084 738 V CB -0.435 31.418 31.823 0.050 0.000 0.953 738 V HN 0.521 nan 8.190 nan 0.000 0.483 739 E N 4.687 124.899 120.200 0.020 0.000 2.265 739 E HA 0.136 4.486 4.350 -0.001 0.000 0.272 739 E C 0.478 177.089 176.600 0.019 0.000 1.067 739 E CA -0.168 56.245 56.400 0.022 0.000 0.900 739 E CB 0.755 30.465 29.700 0.018 0.000 1.017 739 E HN 0.559 nan 8.360 nan 0.000 0.431 740 L N 2.725 123.965 121.223 0.028 0.000 2.416 740 L HA 0.124 4.464 4.340 -0.001 0.000 0.216 740 L C 1.364 178.251 176.870 0.028 0.000 1.098 740 L CA 0.434 55.288 54.840 0.024 0.000 0.840 740 L CB -0.594 41.490 42.059 0.041 0.000 0.981 740 L HN 0.871 nan 8.230 nan 0.000 0.462 741 G N 0.734 109.554 108.800 0.033 0.000 2.547 741 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.271 741 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.271 741 G C 0.005 174.931 174.900 0.043 0.000 1.209 741 G CA 0.164 45.286 45.100 0.037 0.000 0.959 741 G HN 0.335 nan 8.290 nan 0.000 0.563 742 Q N 1.633 121.461 119.800 0.048 0.000 2.644 742 Q HA 0.480 4.820 4.340 -0.001 0.000 0.245 742 Q C -2.125 173.913 176.000 0.065 0.000 1.064 742 Q CA -1.630 54.205 55.803 0.053 0.000 0.860 742 Q CB 1.137 29.902 28.738 0.046 0.000 1.145 742 Q HN 0.608 nan 8.270 nan 0.000 0.515 743 P HA 0.074 nan 4.420 nan 0.000 0.274 743 P C -0.545 176.824 177.300 0.114 0.000 1.237 743 P CA -0.328 62.823 63.100 0.085 0.000 0.793 743 P CB 1.137 32.869 31.700 0.053 0.000 0.977 744 V N 1.992 122.013 119.914 0.177 0.000 2.530 744 V HA 0.142 4.262 4.120 -0.001 0.000 0.282 744 V C 0.497 176.751 176.094 0.268 0.000 1.048 744 V CA -0.244 62.184 62.300 0.214 0.000 0.997 744 V CB 1.211 33.197 31.823 0.272 0.000 0.987 744 V HN 0.257 nan 8.190 nan 0.000 0.477 745 V N 6.299 126.312 119.914 0.165 0.000 2.448 745 V HA 0.478 4.598 4.120 -0.001 0.000 0.295 745 V C -0.442 175.679 176.094 0.046 0.000 1.025 745 V CA -0.632 61.742 62.300 0.123 0.000 0.859 745 V CB 1.705 33.558 31.823 0.051 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.431 746 L N 6.601 127.848 121.223 0.039 0.000 2.305 746 L HA 0.738 5.077 4.340 -0.001 0.000 0.284 746 L C -0.647 176.114 176.870 -0.181 0.000 1.013 746 L CA -0.002 54.736 54.840 -0.170 0.000 0.819 746 L CB 1.763 43.627 42.059 -0.326 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.115 123.912 119.914 -0.195 0.000 2.384 747 V HA 0.539 4.659 4.120 -0.001 0.000 0.287 747 V C 0.008 176.035 176.094 -0.112 0.000 1.020 747 V CA -0.399 61.809 62.300 -0.154 0.000 0.850 747 V CB 1.523 33.273 31.823 -0.123 0.000 0.987 747 V HN 0.843 nan 8.190 nan 0.000 0.436 748 T N 5.348 119.865 114.554 -0.061 0.000 2.779 748 T HA 0.457 4.807 4.350 -0.001 0.000 0.280 748 T C -0.393 174.338 174.700 0.051 0.000 0.987 748 T CA -0.562 61.557 62.100 0.032 0.000 0.966 748 T CB 1.173 70.099 68.868 0.097 0.000 0.933 748 T HN 0.669 nan 8.240 nan 0.000 0.442 749 K N 2.319 122.767 120.400 0.079 0.000 2.413 749 K HA 0.688 5.008 4.320 -0.001 0.000 0.257 749 K C -0.423 176.239 176.600 0.102 0.000 0.946 749 K CA -0.586 55.748 56.287 0.077 0.000 0.823 749 K CB 1.059 33.597 32.500 0.064 0.000 1.109 749 K HN 0.790 nan 8.250 nan 0.000 0.427 750 G N 2.188 111.046 108.800 0.095 0.000 2.680 750 G HA2 0.171 4.130 3.960 -0.001 0.000 0.290 750 G HA3 0.171 4.130 3.960 -0.001 0.000 0.290 750 G C -0.305 174.641 174.900 0.078 0.000 1.355 750 G CA -0.647 44.511 45.100 0.096 0.000 0.903 750 G HN 0.650 nan 8.290 nan 0.000 0.474 751 K N -0.343 120.098 120.400 0.069 0.000 2.097 751 K HA 0.129 4.449 4.320 -0.001 0.000 0.205 751 K C 1.654 178.291 176.600 0.061 0.000 1.050 751 K CA 1.032 57.356 56.287 0.061 0.000 0.938 751 K CB -0.151 32.381 32.500 0.053 0.000 0.718 751 K HN 0.421 nan 8.250 nan 0.000 0.442 752 L N -0.599 120.662 121.223 0.063 0.000 2.408 752 L HA 0.211 4.550 4.340 -0.001 0.000 0.215 752 L C 0.536 177.442 176.870 0.060 0.000 1.081 752 L CA 0.070 54.947 54.840 0.062 0.000 0.840 752 L CB 0.388 42.486 42.059 0.066 0.000 1.002 752 L HN 0.182 nan 8.230 nan 0.000 0.468 753 E N -0.292 119.949 120.200 0.068 0.000 2.321 753 E HA 0.380 4.729 4.350 -0.001 0.000 0.281 753 E C -1.494 175.153 176.600 0.077 0.000 0.910 753 E CA -0.208 56.233 56.400 0.068 0.000 0.770 753 E CB 2.100 31.839 29.700 0.065 0.000 1.225 753 E HN -0.129 nan 8.360 nan 0.000 0.417 754 S N 1.245 116.988 115.700 0.072 0.000 2.634 754 S HA 0.792 5.262 4.470 -0.001 0.000 0.296 754 S C -1.268 173.360 174.600 0.047 0.000 1.104 754 S CA -0.669 57.570 58.200 0.064 0.000 0.920 754 S CB 1.784 65.023 63.200 0.066 0.000 1.111 754 S HN 0.618 nan 8.310 nan 0.000 0.493 755 S N -0.147 115.558 115.700 0.008 0.000 2.547 755 S HA 0.729 5.198 4.470 -0.001 0.000 0.270 755 S C -1.667 172.846 174.600 -0.146 0.000 1.150 755 S CA -0.739 57.439 58.200 -0.038 0.000 0.850 755 S CB 1.063 64.263 63.200 -0.001 0.000 1.118 755 S HN 0.443 nan 8.310 nan 0.000 0.461 756 V N 1.968 121.730 119.914 -0.253 0.000 2.444 756 V HA 0.735 4.855 4.120 -0.001 0.000 0.294 756 V C -0.461 175.498 176.094 -0.225 0.000 1.022 756 V CA -0.378 61.702 62.300 -0.368 0.000 0.850 756 V CB 1.535 32.822 31.823 -0.893 0.000 0.992 756 V HN 0.993 nan 8.190 nan 0.000 0.426 757 S N 3.274 118.902 115.700 -0.121 0.000 2.521 757 S HA 0.779 5.249 4.470 -0.001 0.000 0.295 757 S C -0.834 173.707 174.600 -0.099 0.000 1.098 757 S CA -0.613 57.525 58.200 -0.104 0.000 0.999 757 S CB 2.155 65.396 63.200 0.069 0.000 1.034 757 S HN 0.648 nan 8.310 nan 0.000 0.483 758 V N 2.029 121.760 119.914 -0.305 0.000 2.760 758 V HA 0.828 4.947 4.120 -0.001 0.000 0.309 758 V C -0.060 175.664 176.094 -0.616 0.000 1.077 758 V CA -0.425 61.707 62.300 -0.280 0.000 0.910 758 V CB 1.827 33.621 31.823 -0.049 0.000 1.008 758 V HN 0.994 nan 8.190 nan 0.000 0.424 759 G N 6.922 115.394 108.800 -0.546 0.000 2.546 759 G HA2 0.536 4.496 3.960 -0.001 0.000 0.320 759 G HA3 0.536 4.496 3.960 -0.001 0.000 0.320 759 G C -0.562 174.227 174.900 -0.185 0.000 0.984 759 G CA -0.351 44.476 45.100 -0.456 0.000 1.183 759 G HN 0.699 nan 8.290 nan 0.000 0.443 760 L N 2.631 123.699 121.223 -0.258 0.000 2.387 760 L HA 0.398 4.738 4.340 -0.001 0.000 0.266 760 L C -2.012 174.747 176.870 -0.186 0.000 1.059 760 L CA -2.333 52.381 54.840 -0.211 0.000 0.801 760 L CB 1.762 43.613 42.059 -0.347 0.000 1.223 760 L HN 0.207 nan 8.230 nan 0.000 0.456 761 P HA 0.066 nan 4.420 nan 0.000 0.266 761 P C 0.051 177.254 177.300 -0.162 0.000 1.215 761 P CA 0.427 63.455 63.100 -0.120 0.000 0.763 761 P CB 0.904 32.558 31.700 -0.077 0.000 0.806 762 S N -0.195 115.417 115.700 -0.147 0.000 2.929 762 S HA -0.117 4.353 4.470 -0.001 0.000 0.271 762 S C 0.221 174.711 174.600 -0.183 0.000 1.295 762 S CA 1.274 59.393 58.200 -0.136 0.000 1.277 762 S CB -1.544 61.599 63.200 -0.095 0.000 1.557 762 S HN 0.403 nan 8.310 nan 0.000 0.666 763 V N 1.340 121.087 119.914 -0.278 0.000 2.655 763 V HA 0.446 4.565 4.120 -0.001 0.000 0.301 763 V C -0.220 175.645 176.094 -0.381 0.000 1.082 763 V CA -0.806 61.285 62.300 -0.348 0.000 0.899 763 V CB 2.101 33.555 31.823 -0.614 0.000 1.014 763 V HN 0.108 nan 8.190 nan 0.000 0.429 764 V N 4.135 123.838 119.914 -0.353 0.000 2.368 764 V HA 0.322 4.442 4.120 -0.001 0.000 0.266 764 V C -0.148 175.737 176.094 -0.349 0.000 1.045 764 V CA -0.322 61.668 62.300 -0.516 0.000 0.899 764 V CB 0.715 32.116 31.823 -0.703 0.000 1.006 764 V HN 0.930 nan 8.190 nan 0.000 0.470 765 H N 4.474 123.285 119.070 -0.431 0.000 2.467 765 H HA 0.600 5.155 4.556 -0.001 0.000 0.326 765 H C -0.417 174.793 175.328 -0.196 0.000 1.094 765 H CA -0.243 55.656 56.048 -0.249 0.000 1.253 765 H CB 1.239 30.879 29.762 -0.204 0.000 1.439 765 H HN 0.690 nan 8.280 nan 0.000 0.479 766 Q N 3.999 123.492 119.800 -0.511 0.000 2.305 766 Q HA 0.376 4.715 4.340 -0.001 0.000 0.271 766 Q C -1.394 174.403 176.000 -0.340 0.000 1.046 766 Q CA -0.884 54.710 55.803 -0.348 0.000 0.798 766 Q CB 1.602 30.241 28.738 -0.166 0.000 1.286 766 Q HN 0.751 nan 8.270 nan 0.000 0.435 767 T N 5.054 119.486 114.554 -0.204 0.000 2.772 767 T HA 0.532 4.882 4.350 -0.001 0.000 0.288 767 T C -0.326 174.399 174.700 0.041 0.000 0.994 767 T CA -0.314 61.785 62.100 -0.002 0.000 0.951 767 T CB 0.283 69.313 68.868 0.269 0.000 0.933 767 T HN 0.464 nan 8.240 nan 0.000 0.447 768 I N 3.737 124.345 120.570 0.062 0.000 2.433 768 I HA 0.500 4.669 4.170 -0.001 0.000 0.292 768 I C -0.261 175.908 176.117 0.087 0.000 1.001 768 I CA -0.809 60.528 61.300 0.061 0.000 1.119 768 I CB 1.779 39.805 38.000 0.043 0.000 1.289 768 I HN 0.389 nan 8.210 nan 0.000 0.438 769 M N 5.915 125.567 119.600 0.086 0.000 2.253 769 M HA 0.478 4.958 4.480 -0.001 0.000 0.314 769 M C 0.107 176.449 176.300 0.069 0.000 1.019 769 M CA -0.343 55.012 55.300 0.091 0.000 0.932 769 M CB 2.217 34.887 32.600 0.116 0.000 1.606 769 M HN 0.482 nan 8.290 nan 0.000 0.430 770 R N 1.110 121.645 120.500 0.058 0.000 2.572 770 R HA 0.358 4.697 4.340 -0.001 0.000 0.370 770 R C 0.788 177.114 176.300 0.044 0.000 1.005 770 R CA 0.231 56.359 56.100 0.047 0.000 1.146 770 R CB 1.128 31.447 30.300 0.033 0.000 1.390 770 R HN 1.140 nan 8.270 nan 0.000 0.553 771 G N -0.221 108.608 108.800 0.048 0.000 2.201 771 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.212 771 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.212 771 G C 0.291 175.211 174.900 0.033 0.000 0.994 771 G CA -0.364 44.761 45.100 0.042 0.000 0.644 771 G HN 0.520 nan 8.290 nan 0.000 0.508 772 G N -0.103 108.717 108.800 0.034 0.000 3.211 772 G HA2 0.800 4.760 3.960 -0.001 0.000 0.167 772 G HA3 0.800 4.760 3.960 -0.001 0.000 0.167 772 G C 0.547 175.466 174.900 0.031 0.000 1.212 772 G CA 0.374 45.489 45.100 0.025 0.000 0.928 772 G HN 1.551 nan 8.290 nan 0.000 0.607 773 A N 1.384 124.219 122.820 0.026 0.000 2.567 773 A HA 0.480 4.800 4.320 -0.001 0.000 0.240 773 A C -1.721 175.899 177.584 0.059 0.000 1.053 773 A CA -0.356 51.702 52.037 0.035 0.000 0.755 773 A CB -0.503 18.514 19.000 0.029 0.000 0.978 773 A HN 0.390 nan 8.150 nan 0.000 0.507 774 P HA 0.131 nan 4.420 nan 0.000 0.272 774 P C -0.439 176.929 177.300 0.114 0.000 1.230 774 P CA -0.188 62.976 63.100 0.106 0.000 0.788 774 P CB 0.621 32.408 31.700 0.146 0.000 0.949 775 E N 1.365 121.628 120.200 0.106 0.000 2.175 775 E HA 0.365 4.715 4.350 -0.001 0.000 0.278 775 E C -0.762 175.910 176.600 0.120 0.000 0.969 775 E CA -0.706 55.759 56.400 0.109 0.000 0.796 775 E CB 0.531 30.272 29.700 0.068 0.000 1.104 775 E HN 0.208 nan 8.360 nan 0.000 0.395 776 I N 4.261 124.936 120.570 0.175 0.000 2.377 776 I HA 0.403 4.572 4.170 -0.001 0.000 0.293 776 I C 0.039 176.276 176.117 0.200 0.000 0.987 776 I CA -0.591 60.792 61.300 0.138 0.000 1.185 776 I CB 1.221 39.314 38.000 0.154 0.000 1.341 776 I HN 0.560 nan 8.210 nan 0.000 0.455 777 R N 4.631 125.177 120.500 0.078 0.000 2.534 777 R HA 0.498 4.838 4.340 -0.001 0.000 0.301 777 R C -0.911 175.443 176.300 0.091 0.000 0.961 777 R CA -0.846 55.314 56.100 0.100 0.000 0.871 777 R CB 1.981 32.297 30.300 0.026 0.000 1.170 777 R HN 0.461 nan 8.270 nan 0.000 0.446 778 N N 2.574 121.387 118.700 0.189 0.000 2.407 778 N HA 0.202 4.942 4.740 -0.001 0.000 0.277 778 N C -1.294 174.232 175.510 0.027 0.000 0.995 778 N CA -0.698 52.440 53.050 0.146 0.000 0.903 778 N CB 1.861 40.542 38.487 0.323 0.000 1.218 778 N HN 0.326 nan 8.380 nan 0.000 0.487 779 L N 3.634 124.814 121.223 -0.071 0.000 2.268 779 L HA 0.383 4.722 4.340 -0.001 0.000 0.289 779 L C -1.013 175.789 176.870 -0.114 0.000 1.064 779 L CA -0.432 54.346 54.840 -0.104 0.000 0.824 779 L CB 0.492 42.478 42.059 -0.122 0.000 1.202 779 L HN 0.215 nan 8.230 nan 0.000 0.433 780 V N 4.623 124.473 119.914 -0.107 0.000 2.350 780 V HA 0.385 4.505 4.120 -0.001 0.000 0.276 780 V C -0.520 175.535 176.094 -0.064 0.000 1.028 780 V CA -0.505 61.750 62.300 -0.076 0.000 0.860 780 V CB 1.307 33.114 31.823 -0.025 0.000 0.990 780 V HN 0.683 nan 8.190 nan 0.000 0.453 781 D N 4.040 124.403 120.400 -0.062 0.000 2.375 781 D HA 0.266 4.905 4.640 -0.001 0.000 0.259 781 D C 0.498 176.776 176.300 -0.038 0.000 1.235 781 D CA -0.396 53.576 54.000 -0.045 0.000 0.924 781 D CB 1.392 42.161 40.800 -0.053 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.365 122.929 120.570 -0.011 0.000 3.176 782 I HA 0.087 4.256 4.170 -0.001 0.000 0.275 782 I C 1.365 177.477 176.117 -0.009 0.000 1.298 782 I CA 1.060 62.360 61.300 -0.000 0.000 1.445 782 I CB -0.241 37.778 38.000 0.033 0.000 1.075 782 I HN 0.614 nan 8.210 nan 0.000 0.482 783 G N 0.911 109.701 108.800 -0.016 0.000 2.583 783 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.292 783 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.292 783 G C 0.601 175.497 174.900 -0.007 0.000 1.203 783 G CA 0.492 45.579 45.100 -0.022 0.000 0.987 783 G HN 0.692 nan 8.290 nan 0.000 0.554 784 S N -0.117 115.577 115.700 -0.011 0.000 2.575 784 S HA 0.527 4.997 4.470 -0.001 0.000 0.237 784 S C 0.863 175.465 174.600 0.004 0.000 0.975 784 S CA 0.123 58.323 58.200 -0.000 0.000 0.960 784 S CB 0.092 63.291 63.200 -0.001 0.000 0.822 784 S HN 0.693 nan 8.310 nan 0.000 0.472 785 L N 3.128 124.353 121.223 0.004 0.000 2.505 785 L HA 0.247 4.586 4.340 -0.001 0.000 0.279 785 L C -0.341 176.544 176.870 0.024 0.000 1.211 785 L CA -0.266 54.581 54.840 0.011 0.000 1.059 785 L CB -0.714 41.352 42.059 0.011 0.000 1.340 785 L HN 0.143 nan 8.230 nan 0.000 0.447 786 D N 2.841 123.255 120.400 0.022 0.000 2.399 786 D HA 0.008 4.647 4.640 -0.001 0.000 0.241 786 D C 0.673 176.994 176.300 0.035 0.000 1.133 786 D CA 0.245 54.262 54.000 0.028 0.000 0.890 786 D CB 0.340 41.153 40.800 0.022 0.000 1.201 786 D HN 0.325 nan 8.370 nan 0.000 0.432 787 N N 0.506 119.232 118.700 0.042 0.000 2.725 787 N HA -0.174 4.566 4.740 -0.001 0.000 0.251 787 N C -0.948 174.604 175.510 0.069 0.000 1.031 787 N CA 0.835 53.916 53.050 0.051 0.000 0.720 787 N CB -1.299 37.210 38.487 0.036 0.000 0.930 787 N HN 0.290 nan 8.380 nan 0.000 0.543 788 T N 0.464 115.064 114.554 0.077 0.000 2.916 788 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 788 T C -0.269 174.499 174.700 0.115 0.000 1.031 788 T CA -0.742 61.415 62.100 0.096 0.000 0.993 788 T CB 2.329 71.239 68.868 0.070 0.000 1.045 788 T HN 0.038 nan 8.240 nan 0.000 0.454 789 E N 2.532 122.831 120.200 0.165 0.000 2.199 789 E HA 0.468 4.817 4.350 -0.001 0.000 0.265 789 E C -0.755 175.966 176.600 0.202 0.000 0.882 789 E CA -0.681 55.815 56.400 0.159 0.000 0.759 789 E CB 2.304 32.073 29.700 0.114 0.000 1.148 789 E HN 0.487 nan 8.360 nan 0.000 0.412 790 I N 2.727 123.400 120.570 0.171 0.000 2.331 790 I HA 0.231 4.400 4.170 -0.001 0.000 0.292 790 I C -0.251 176.002 176.117 0.227 0.000 0.998 790 I CA -0.812 60.602 61.300 0.189 0.000 1.267 790 I CB 1.450 39.552 38.000 0.170 0.000 1.386 790 I HN 0.206 nan 8.210 nan 0.000 0.476 791 V N 8.016 128.061 119.914 0.219 0.000 2.628 791 V HA 0.501 4.620 4.120 -0.001 0.000 0.306 791 V C -0.449 175.661 176.094 0.027 0.000 1.045 791 V CA -0.728 61.681 62.300 0.183 0.000 0.905 791 V CB 2.006 33.999 31.823 0.283 0.000 0.997 791 V HN 0.751 nan 8.190 nan 0.000 0.436 792 M N 7.217 126.753 119.600 -0.106 0.000 2.129 792 M HA 0.567 5.047 4.480 -0.001 0.000 0.348 792 M C -0.573 175.568 176.300 -0.265 0.000 1.116 792 M CA -0.432 54.574 55.300 -0.491 0.000 1.022 792 M CB 0.605 32.870 32.600 -0.559 0.000 1.599 792 M HN 0.751 nan 8.290 nan 0.000 0.449 793 R N 4.661 124.995 120.500 -0.277 0.000 2.637 793 R HA 0.697 5.037 4.340 -0.001 0.000 0.291 793 R C -1.960 174.239 176.300 -0.169 0.000 0.963 793 R CA -0.629 55.377 56.100 -0.157 0.000 0.901 793 R CB 1.513 31.740 30.300 -0.121 0.000 1.160 793 R HN 0.805 nan 8.270 nan 0.000 0.457 794 L N 3.297 124.403 121.223 -0.195 0.000 2.296 794 L HA 0.423 4.762 4.340 -0.001 0.000 0.286 794 L C -0.492 176.264 176.870 -0.190 0.000 1.023 794 L CA -0.406 54.247 54.840 -0.312 0.000 0.812 794 L CB 1.916 43.745 42.059 -0.383 0.000 1.223 794 L HN 0.607 nan 8.230 nan 0.000 0.421 795 E N 2.091 122.196 120.200 -0.158 0.000 2.158 795 E HA 0.527 4.876 4.350 -0.001 0.000 0.271 795 E C -0.595 175.945 176.600 -0.101 0.000 0.911 795 E CA -0.503 55.857 56.400 -0.066 0.000 0.767 795 E CB 2.157 31.869 29.700 0.019 0.000 1.120 795 E HN 0.615 nan 8.360 nan 0.000 0.405 796 T N -0.941 113.567 114.554 -0.077 0.000 2.838 796 T HA 0.311 4.661 4.350 -0.001 0.000 0.292 796 T C 0.060 174.759 174.700 -0.002 0.000 1.113 796 T CA -0.778 61.239 62.100 -0.138 0.000 1.008 796 T CB 1.156 69.963 68.868 -0.101 0.000 1.259 796 T HN 0.425 nan 8.240 nan 0.000 0.520 797 H N -0.074 118.985 119.070 -0.017 0.000 2.520 797 H HA 0.452 5.007 4.556 -0.001 0.000 0.284 797 H C 0.397 175.724 175.328 -0.002 0.000 1.037 797 H CA -0.929 55.114 56.048 -0.008 0.000 1.168 797 H CB -0.485 29.273 29.762 -0.007 0.000 1.497 797 H HN 0.485 nan 8.280 nan 0.000 0.547 798 I N 1.816 122.437 120.570 0.085 0.000 2.821 798 I HA -0.165 4.005 4.170 -0.001 0.000 0.294 798 I C 0.781 176.940 176.117 0.069 0.000 1.210 798 I CA 0.559 61.896 61.300 0.062 0.000 1.430 798 I CB 0.372 38.399 38.000 0.044 0.000 1.356 798 I HN 0.022 nan 8.210 nan 0.000 0.563 799 D N 4.739 125.177 120.400 0.063 0.000 2.713 799 D HA 0.037 4.677 4.640 -0.001 0.000 0.229 799 D C 1.261 177.601 176.300 0.066 0.000 1.136 799 D CA -0.025 54.009 54.000 0.057 0.000 1.010 799 D CB 0.327 41.154 40.800 0.045 0.000 1.084 799 D HN 0.544 nan 8.370 nan 0.000 0.495 800 S N 0.307 116.053 115.700 0.077 0.000 2.496 800 S HA 0.229 4.699 4.470 -0.001 0.000 0.224 800 S C 1.604 176.257 174.600 0.088 0.000 0.996 800 S CA 0.349 58.608 58.200 0.099 0.000 0.927 800 S CB -0.210 63.060 63.200 0.117 0.000 0.774 800 S HN 0.532 nan 8.310 nan 0.000 0.524 801 G N 3.107 111.947 108.800 0.067 0.000 2.543 801 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.286 801 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.286 801 G C 0.124 175.066 174.900 0.070 0.000 1.153 801 G CA 0.548 45.684 45.100 0.059 0.000 0.968 801 G HN 0.766 nan 8.290 nan 0.000 0.544 802 D N 0.215 120.661 120.400 0.076 0.000 2.402 802 D HA 0.348 4.988 4.640 -0.001 0.000 0.216 802 D C 0.724 177.108 176.300 0.141 0.000 1.128 802 D CA -0.186 53.877 54.000 0.105 0.000 0.833 802 D CB 0.288 41.135 40.800 0.078 0.000 0.971 802 D HN 0.463 nan 8.370 nan 0.000 0.503 803 I N 1.448 122.086 120.570 0.113 0.000 2.460 803 I HA 0.498 4.667 4.170 -0.001 0.000 0.298 803 I C -0.284 175.925 176.117 0.153 0.000 0.989 803 I CA -1.033 60.280 61.300 0.021 0.000 1.173 803 I CB 0.716 38.697 38.000 -0.032 0.000 1.338 803 I HN -0.041 nan 8.210 nan 0.000 0.456 804 F N 4.391 124.164 119.950 -0.295 0.000 2.745 804 F HA 0.685 5.212 4.527 -0.001 0.000 0.316 804 F C -2.037 173.408 175.800 -0.592 0.000 1.155 804 F CA -1.423 56.423 58.000 -0.257 0.000 0.937 804 F CB 1.177 40.097 39.000 -0.134 0.000 1.361 804 F HN 0.181 nan 8.300 nan 0.000 0.472 805 Y N 0.032 120.110 120.300 -0.369 0.000 2.425 805 Y HA 0.686 5.235 4.550 -0.001 0.000 0.344 805 Y C 0.033 175.754 175.900 -0.298 0.000 0.969 805 Y CA -0.696 57.042 58.100 -0.603 0.000 1.052 805 Y CB 2.436 40.109 38.460 -1.310 0.000 1.215 805 Y HN 0.896 nan 8.280 nan 0.000 0.451 806 T N -1.344 113.127 114.554 -0.138 0.000 2.896 806 T HA 0.476 4.826 4.350 -0.001 0.000 0.297 806 T C -1.102 173.411 174.700 -0.312 0.000 1.108 806 T CA -1.078 60.959 62.100 -0.104 0.000 1.004 806 T CB 2.041 70.828 68.868 -0.135 0.000 1.159 806 T HN 0.585 nan 8.240 nan 0.000 0.499 807 D N 1.153 121.218 120.400 -0.558 0.000 2.340 807 D HA 0.368 5.007 4.640 -0.001 0.000 0.251 807 D C -0.613 175.418 176.300 -0.448 0.000 1.080 807 D CA -0.792 52.699 54.000 -0.849 0.000 0.971 807 D CB 1.287 41.325 40.800 -1.270 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 1.033 122.037 121.223 -0.366 0.000 2.294 808 L HA 0.215 4.554 4.340 -0.001 0.000 0.283 808 L C -0.070 176.676 176.870 -0.206 0.000 1.015 808 L CA -0.787 53.927 54.840 -0.210 0.000 0.831 808 L CB 0.489 42.489 42.059 -0.098 0.000 1.217 808 L HN 0.458 nan 8.230 nan 0.000 0.420 809 N N 2.143 120.728 118.700 -0.192 0.000 2.693 809 N HA -0.234 4.505 4.740 -0.001 0.000 0.249 809 N C 0.965 176.259 175.510 -0.361 0.000 1.119 809 N CA 0.913 53.847 53.050 -0.194 0.000 0.717 809 N CB -1.077 37.375 38.487 -0.057 0.000 1.071 809 N HN 1.083 nan 8.380 nan 0.000 0.555 810 G N -1.686 106.905 108.800 -0.347 0.000 2.155 810 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.257 810 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.257 810 G C 0.610 175.487 174.900 -0.039 0.000 0.983 810 G CA 0.649 45.569 45.100 -0.300 0.000 0.676 810 G HN 0.489 nan 8.290 nan 0.000 0.528 811 L N -0.347 120.792 121.223 -0.140 0.000 2.467 811 L HA 0.506 4.846 4.340 -0.001 0.000 0.213 811 L C 0.970 177.727 176.870 -0.188 0.000 1.053 811 L CA 1.946 56.620 54.840 -0.277 0.000 0.847 811 L CB 0.163 41.905 42.059 -0.528 0.000 1.075 811 L HN 0.696 nan 8.230 nan 0.000 0.479 812 Q N -1.708 117.985 119.800 -0.179 0.000 2.435 812 Q HA 0.351 4.691 4.340 -0.001 0.000 0.282 812 Q C -1.690 174.200 176.000 -0.182 0.000 1.020 812 Q CA -0.727 55.035 55.803 -0.069 0.000 0.820 812 Q CB 1.080 29.837 28.738 0.031 0.000 1.436 812 Q HN -0.037 nan 8.270 nan 0.000 0.395 813 F N 1.456 121.364 119.950 -0.070 0.000 2.427 813 F HA 0.581 5.108 4.527 -0.001 0.000 0.346 813 F C -0.155 175.605 175.800 -0.066 0.000 1.120 813 F CA -0.812 57.156 58.000 -0.054 0.000 1.033 813 F CB 1.590 40.604 39.000 0.023 0.000 1.126 813 F HN 0.534 nan 8.300 nan 0.000 0.462 814 I N 3.981 124.549 120.570 -0.005 0.000 2.441 814 I HA 0.327 4.497 4.170 -0.001 0.000 0.295 814 I C -0.412 175.557 176.117 -0.247 0.000 0.994 814 I CA -0.867 60.380 61.300 -0.088 0.000 1.144 814 I CB 1.199 39.101 38.000 -0.163 0.000 1.314 814 I HN 0.499 nan 8.210 nan 0.000 0.445 815 K N 6.729 126.943 120.400 -0.309 0.000 2.412 815 K HA 0.227 4.547 4.320 -0.001 0.000 0.281 815 K C -0.816 175.335 176.600 -0.748 0.000 1.027 815 K CA -0.307 55.528 56.287 -0.754 0.000 0.989 815 K CB 0.489 32.690 32.500 -0.498 0.000 0.935 815 K HN 0.503 nan 8.250 nan 0.000 0.475 816 R N 3.251 123.124 120.500 -1.044 0.000 2.664 816 R HA 0.356 4.696 4.340 -0.001 0.000 0.286 816 R C -0.487 175.320 176.300 -0.823 0.000 0.967 816 R CA -0.781 54.639 56.100 -1.134 0.000 0.933 816 R CB 1.525 30.593 30.300 -2.053 0.000 1.146 816 R HN 0.665 nan 8.270 nan 0.000 0.468 817 R N 1.545 121.775 120.500 -0.451 0.000 2.476 817 R HA 0.285 4.625 4.340 -0.001 0.000 0.305 817 R C -0.478 175.861 176.300 0.066 0.000 0.965 817 R CA -0.675 55.337 56.100 -0.148 0.000 0.867 817 R CB 1.561 31.814 30.300 -0.078 0.000 1.176 817 R HN 0.579 nan 8.270 nan 0.000 0.447 818 R N 5.014 125.663 120.500 0.249 0.000 2.522 818 R HA 0.121 4.460 4.340 -0.001 0.000 0.284 818 R C -1.033 175.353 176.300 0.144 0.000 1.032 818 R CA 0.196 56.473 56.100 0.294 0.000 1.049 818 R CB 0.426 30.885 30.300 0.266 0.000 0.956 818 R HN 0.544 nan 8.270 nan 0.000 0.422 819 L N 4.957 126.242 121.223 0.105 0.000 2.342 819 L HA 0.224 4.563 4.340 -0.001 0.000 0.276 819 L C 0.095 176.959 176.870 -0.010 0.000 0.997 819 L CA -0.716 54.140 54.840 0.028 0.000 0.838 819 L CB 1.964 44.007 42.059 -0.026 0.000 1.224 819 L HN 0.682 nan 8.230 nan 0.000 0.416 820 D N 1.581 121.982 120.400 0.003 0.000 2.348 820 D HA -0.119 4.520 4.640 -0.001 0.000 0.216 820 D C 1.735 178.019 176.300 -0.026 0.000 0.970 820 D CA 0.838 54.835 54.000 -0.005 0.000 0.889 820 D CB 0.359 41.165 40.800 0.010 0.000 0.912 820 D HN 0.556 nan 8.370 nan 0.000 0.524 821 K N 0.185 120.560 120.400 -0.040 0.000 2.486 821 K HA 0.007 4.327 4.320 -0.001 0.000 0.194 821 K C 0.680 177.220 176.600 -0.101 0.000 1.033 821 K CA 0.363 56.622 56.287 -0.046 0.000 1.004 821 K CB 0.301 32.788 32.500 -0.022 0.000 0.798 821 K HN 0.107 nan 8.250 nan 0.000 0.495 822 L N 2.209 123.335 121.223 -0.163 0.000 2.334 822 L HA 0.457 4.797 4.340 -0.001 0.000 0.272 822 L C -2.248 174.521 176.870 -0.168 0.000 1.020 822 L CA -2.941 51.762 54.840 -0.228 0.000 0.812 822 L CB 1.332 43.154 42.059 -0.396 0.000 1.264 822 L HN -0.053 nan 8.230 nan 0.000 0.439 823 P HA 0.032 nan 4.420 nan 0.000 0.272 823 P C 0.836 178.017 177.300 -0.199 0.000 1.240 823 P CA -0.376 62.634 63.100 -0.149 0.000 0.791 823 P CB 1.156 32.797 31.700 -0.097 0.000 0.978 824 L N 0.891 122.025 121.223 -0.149 0.000 2.021 824 L HA -0.282 4.057 4.340 -0.001 0.000 0.215 824 L C 2.475 179.256 176.870 -0.148 0.000 1.074 824 L CA 1.905 56.677 54.840 -0.113 0.000 0.760 824 L CB -0.627 41.364 42.059 -0.114 0.000 0.889 824 L HN 0.428 nan 8.230 nan 0.000 0.433 825 Q N -0.375 119.232 119.800 -0.322 0.000 2.291 825 Q HA -0.160 4.180 4.340 -0.001 0.000 0.205 825 Q C 1.873 177.779 176.000 -0.158 0.000 0.970 825 Q CA 1.467 57.118 55.803 -0.254 0.000 0.876 825 Q CB -0.503 28.021 28.738 -0.357 0.000 0.935 825 Q HN 0.605 nan 8.270 nan 0.000 0.455 826 A N 1.448 123.960 122.820 -0.514 0.000 2.067 826 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 826 A C 1.634 179.028 177.584 -0.316 0.000 1.156 826 A CA 0.724 52.296 52.037 -0.777 0.000 0.683 826 A CB -0.174 18.017 19.000 -1.349 0.000 0.808 826 A HN 0.338 nan 8.150 nan 0.000 0.455 827 N N -1.156 117.477 118.700 -0.112 0.000 2.336 827 N HA 0.053 4.793 4.740 -0.001 0.000 0.189 827 N C -0.825 174.789 175.510 0.172 0.000 1.113 827 N CA 0.181 53.285 53.050 0.089 0.000 0.858 827 N CB 0.055 38.644 38.487 0.170 0.000 0.970 827 N HN 0.445 nan 8.380 nan 0.000 0.471 828 Y N 0.346 120.613 120.300 -0.056 0.000 2.319 828 Y HA 0.175 4.725 4.550 -0.001 0.000 0.328 828 Y C -0.136 175.710 175.900 -0.089 0.000 1.133 828 Y CA -0.073 58.070 58.100 0.072 0.000 1.265 828 Y CB 0.324 38.896 38.460 0.185 0.000 1.218 828 Y HN -0.062 nan 8.280 nan 0.000 0.508 829 Y N 3.181 123.611 120.300 0.218 0.000 2.605 829 Y HA 0.451 5.001 4.550 -0.001 0.000 0.343 829 Y C -2.284 173.327 175.900 -0.481 0.000 1.036 829 Y CA -2.938 55.146 58.100 -0.026 0.000 1.065 829 Y CB 1.464 39.900 38.460 -0.041 0.000 1.288 829 Y HN 0.445 nan 8.280 nan 0.000 0.481 830 P HA 0.115 nan 4.420 nan 0.000 0.268 830 P C -0.645 176.413 177.300 -0.403 0.000 1.205 830 P CA 0.243 62.758 63.100 -0.975 0.000 0.771 830 P CB 0.531 31.549 31.700 -1.137 0.000 0.858 831 I N 4.717 125.133 120.570 -0.257 0.000 2.692 831 I HA 0.170 4.340 4.170 -0.001 0.000 0.285 831 I C -1.737 174.307 176.117 -0.122 0.000 1.191 831 I CA -2.415 58.804 61.300 -0.136 0.000 1.128 831 I CB 0.708 38.687 38.000 -0.037 0.000 1.585 831 I HN 0.201 nan 8.210 nan 0.000 0.558 832 P HA -0.061 nan 4.420 nan 0.000 0.221 832 P C 1.092 178.359 177.300 -0.055 0.000 1.150 832 P CA 1.224 64.249 63.100 -0.124 0.000 0.800 832 P CB 0.571 32.168 31.700 -0.172 0.000 0.787 833 S N -3.478 112.193 115.700 -0.049 0.000 2.615 833 S HA 0.461 4.931 4.470 -0.001 0.000 0.277 833 S C 0.550 175.234 174.600 0.140 0.000 1.068 833 S CA 0.337 58.564 58.200 0.045 0.000 1.315 833 S CB 0.296 63.545 63.200 0.081 0.000 1.193 833 S HN 0.317 nan 8.310 nan 0.000 0.656 834 G N 1.545 110.431 108.800 0.143 0.000 2.466 834 G HA2 0.558 4.518 3.960 -0.001 0.000 0.291 834 G HA3 0.558 4.518 3.960 -0.001 0.000 0.291 834 G C -1.482 173.662 174.900 0.406 0.000 1.460 834 G CA -0.453 44.857 45.100 0.350 0.000 0.791 834 G HN 0.879 nan 8.290 nan 0.000 0.505 835 M N -0.606 119.252 119.600 0.431 0.000 2.520 835 M HA 0.883 5.363 4.480 -0.001 0.000 0.280 835 M C -1.724 174.812 176.300 0.392 0.000 1.232 835 M CA -1.020 54.493 55.300 0.354 0.000 0.892 835 M CB 2.521 35.240 32.600 0.198 0.000 1.728 835 M HN 1.174 nan 8.290 nan 0.000 0.475 836 F N 0.913 121.010 119.950 0.244 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.768 174.166 175.800 0.223 0.000 1.117 836 F CA -1.191 56.891 58.000 0.136 0.000 0.951 836 F CB 1.106 40.100 39.000 -0.011 0.000 1.323 836 F HN 0.780 nan 8.300 nan 0.000 0.451 837 I N -0.142 120.667 120.570 0.400 0.000 2.785 837 I HA 0.896 5.066 4.170 -0.001 0.000 0.302 837 I C -1.374 174.932 176.117 0.315 0.000 1.069 837 I CA -0.910 60.589 61.300 0.331 0.000 1.045 837 I CB 2.412 40.519 38.000 0.179 0.000 1.236 837 I HN 0.941 nan 8.210 nan 0.000 0.429 838 E N 1.893 122.260 120.200 0.279 0.000 2.407 838 E HA 0.528 4.878 4.350 -0.001 0.000 0.279 838 E C -2.048 174.635 176.600 0.138 0.000 1.012 838 E CA -0.850 55.654 56.400 0.174 0.000 0.800 838 E CB 2.178 31.970 29.700 0.152 0.000 1.276 838 E HN 0.740 nan 8.360 nan 0.000 0.452 839 D N 0.754 121.203 120.400 0.083 0.000 2.726 839 D HA 0.460 5.099 4.640 -0.001 0.000 0.241 839 D C 0.962 177.290 176.300 0.047 0.000 1.150 839 D CA -0.164 53.878 54.000 0.069 0.000 1.089 839 D CB -0.080 40.754 40.800 0.056 0.000 1.260 839 D HN 0.447 nan 8.370 nan 0.000 0.637 840 A N -0.734 122.107 122.820 0.035 0.000 1.978 840 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 840 A C 1.546 179.133 177.584 0.005 0.000 1.170 840 A CA 1.598 53.648 52.037 0.021 0.000 0.636 840 A CB -0.726 18.285 19.000 0.019 0.000 0.810 840 A HN 0.515 nan 8.150 nan 0.000 0.448 841 N N -1.833 116.869 118.700 0.004 0.000 2.460 841 N HA 0.070 4.809 4.740 -0.001 0.000 0.193 841 N C -0.384 175.114 175.510 -0.021 0.000 1.080 841 N CA 0.778 53.822 53.050 -0.010 0.000 0.869 841 N CB 0.594 39.078 38.487 -0.006 0.000 1.201 841 N HN 0.302 nan 8.380 nan 0.000 0.457 842 T N 0.624 115.171 114.554 -0.012 0.000 2.893 842 T HA 0.456 4.806 4.350 -0.001 0.000 0.293 842 T C -0.591 174.098 174.700 -0.018 0.000 1.027 842 T CA -0.640 61.446 62.100 -0.023 0.000 0.988 842 T CB 2.856 71.715 68.868 -0.014 0.000 1.043 842 T HN -0.038 nan 8.240 nan 0.000 0.461 843 R N 1.927 122.398 120.500 -0.047 0.000 2.686 843 R HA 0.732 5.071 4.340 -0.001 0.000 0.286 843 R C -1.946 174.327 176.300 -0.046 0.000 0.969 843 R CA -0.902 55.170 56.100 -0.047 0.000 0.898 843 R CB 1.275 31.479 30.300 -0.159 0.000 1.183 843 R HN 0.450 nan 8.270 nan 0.000 0.456 844 L N 2.680 123.908 121.223 0.007 0.000 2.349 844 L HA 0.491 4.830 4.340 -0.001 0.000 0.278 844 L C -1.308 175.600 176.870 0.063 0.000 0.996 844 L CA 0.077 54.915 54.840 -0.003 0.000 0.825 844 L CB 2.241 44.286 42.059 -0.023 0.000 1.243 844 L HN 0.638 nan 8.230 nan 0.000 0.412 845 T N 5.707 120.277 114.554 0.026 0.000 2.807 845 T HA 0.545 4.894 4.350 -0.001 0.000 0.279 845 T C -0.971 173.790 174.700 0.102 0.000 0.993 845 T CA -0.261 61.895 62.100 0.093 0.000 0.970 845 T CB 1.346 70.198 68.868 -0.026 0.000 0.950 845 T HN 0.444 nan 8.240 nan 0.000 0.441 846 L N 5.284 126.603 121.223 0.160 0.000 2.294 846 L HA 0.518 4.858 4.340 -0.001 0.000 0.283 846 L C -1.247 175.765 176.870 0.236 0.000 1.015 846 L CA -0.693 54.251 54.840 0.173 0.000 0.831 846 L CB 0.447 42.586 42.059 0.132 0.000 1.217 846 L HN 0.411 nan 8.230 nan 0.000 0.420 847 L N 3.967 125.331 121.223 0.235 0.000 2.325 847 L HA 0.627 4.966 4.340 -0.001 0.000 0.279 847 L C 0.553 177.568 176.870 0.242 0.000 1.054 847 L CA -0.229 54.747 54.840 0.227 0.000 0.804 847 L CB 1.399 43.557 42.059 0.166 0.000 1.200 847 L HN 0.760 nan 8.230 nan 0.000 0.436 848 T N -2.213 112.439 114.554 0.164 0.000 2.912 848 T HA 0.615 4.965 4.350 -0.001 0.000 0.288 848 T C 0.692 175.354 174.700 -0.063 0.000 1.030 848 T CA -0.306 61.811 62.100 0.028 0.000 1.020 848 T CB 1.953 70.843 68.868 0.035 0.000 1.056 848 T HN 0.672 nan 8.240 nan 0.000 0.480 849 G N 1.140 109.827 108.800 -0.189 0.000 3.284 849 G HA2 0.415 4.374 3.960 -0.001 0.000 0.236 849 G HA3 0.415 4.374 3.960 -0.001 0.000 0.236 849 G C 0.150 174.985 174.900 -0.108 0.000 1.158 849 G CA -0.326 44.697 45.100 -0.129 0.000 0.774 849 G HN 0.947 nan 8.290 nan 0.000 0.545 850 Q N -0.170 119.562 119.800 -0.115 0.000 2.479 850 Q HA 0.315 4.654 4.340 -0.001 0.000 0.276 850 Q C -3.535 172.427 176.000 -0.063 0.000 0.989 850 Q CA -2.327 53.434 55.803 -0.070 0.000 0.864 850 Q CB 1.819 30.530 28.738 -0.044 0.000 1.444 850 Q HN -0.011 nan 8.270 nan 0.000 0.388 851 P HA 0.476 nan 4.420 nan 0.000 0.280 851 P C -0.664 176.623 177.300 -0.022 0.000 1.244 851 P CA -0.164 62.918 63.100 -0.030 0.000 0.784 851 P CB 1.021 32.710 31.700 -0.018 0.000 0.913 852 L N 1.398 122.602 121.223 -0.030 0.000 2.491 852 L HA 0.671 5.011 4.340 -0.001 0.000 0.254 852 L C 0.661 177.549 176.870 0.029 0.000 1.048 852 L CA -1.134 53.711 54.840 0.008 0.000 0.855 852 L CB 2.110 44.158 42.059 -0.019 0.000 1.466 852 L HN 0.350 nan 8.230 nan 0.000 0.409 853 G N -0.950 107.921 108.800 0.119 0.000 2.400 853 G HA2 0.689 4.648 3.960 -0.001 0.000 0.301 853 G HA3 0.689 4.648 3.960 -0.001 0.000 0.301 853 G C -0.541 174.373 174.900 0.024 0.000 1.154 853 G CA 0.056 45.279 45.100 0.204 0.000 0.852 853 G HN 0.863 nan 8.290 nan 0.000 0.511 854 G N -1.345 107.287 108.800 -0.279 0.000 2.600 854 G HA2 0.686 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.686 4.645 3.960 -0.001 0.000 0.293 854 G C -1.203 173.251 174.900 -0.744 0.000 1.408 854 G CA 0.368 45.106 45.100 -0.603 0.000 0.782 854 G HN 1.240 nan 8.290 nan 0.000 0.482 855 S N -1.909 113.418 115.700 -0.622 0.000 2.703 855 S HA 0.726 5.196 4.470 -0.001 0.000 0.273 855 S C -1.542 172.615 174.600 -0.737 0.000 1.178 855 S CA 0.308 58.150 58.200 -0.596 0.000 0.838 855 S CB 1.337 64.260 63.200 -0.461 0.000 1.178 855 S HN 1.549 nan 8.310 nan 0.000 0.494 856 S N 1.645 116.612 115.700 -1.223 0.000 2.664 856 S HA 0.485 4.955 4.470 -0.001 0.000 0.262 856 S C 0.068 174.411 174.600 -0.428 0.000 1.229 856 S CA -0.626 57.119 58.200 -0.758 0.000 1.151 856 S CB 0.005 62.707 63.200 -0.831 0.000 1.054 856 S HN 0.580 nan 8.310 nan 0.000 0.483 857 L N 3.162 124.279 121.223 -0.178 0.000 2.592 857 L HA 0.512 4.852 4.340 -0.001 0.000 0.227 857 L C 0.829 177.691 176.870 -0.013 0.000 1.127 857 L CA 0.268 55.084 54.840 -0.040 0.000 0.884 857 L CB 0.067 42.162 42.059 0.059 0.000 1.065 857 L HN 0.711 nan 8.230 nan 0.000 0.457 858 A N -1.245 121.555 122.820 -0.034 0.000 2.604 858 A HA 0.449 4.768 4.320 -0.001 0.000 0.295 858 A C -0.476 177.106 177.584 -0.004 0.000 1.067 858 A CA -0.445 51.590 52.037 -0.003 0.000 0.683 858 A CB 1.198 20.203 19.000 0.008 0.000 1.281 858 A HN -0.141 nan 8.150 nan 0.000 0.407 859 S N -0.057 115.654 115.700 0.019 0.000 2.558 859 S HA 0.402 4.872 4.470 -0.001 0.000 0.293 859 S C 1.527 176.147 174.600 0.033 0.000 1.292 859 S CA 1.873 60.092 58.200 0.032 0.000 1.063 859 S CB -0.031 63.191 63.200 0.037 0.000 0.831 859 S HN 2.663 nan 8.310 nan 0.000 0.499 860 G N 3.367 112.189 108.800 0.037 0.000 2.179 860 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G C -0.143 174.756 174.900 -0.002 0.000 0.977 860 G CA 0.489 45.611 45.100 0.037 0.000 0.641 860 G HN 0.719 nan 8.290 nan 0.000 0.533 861 E N -0.521 119.662 120.200 -0.027 0.000 2.222 861 E HA 0.769 5.119 4.350 -0.001 0.000 0.272 861 E C -0.148 176.388 176.600 -0.105 0.000 0.982 861 E CA -0.715 55.645 56.400 -0.067 0.000 0.842 861 E CB 1.701 31.362 29.700 -0.065 0.000 1.144 861 E HN 0.245 nan 8.360 nan 0.000 0.397 862 L N 1.655 122.809 121.223 -0.116 0.000 2.388 862 L HA 0.469 4.808 4.340 -0.001 0.000 0.264 862 L C -0.627 176.168 176.870 -0.125 0.000 0.998 862 L CA -0.627 54.134 54.840 -0.132 0.000 0.817 862 L CB 2.020 44.031 42.059 -0.080 0.000 1.338 862 L HN 0.661 nan 8.230 nan 0.000 0.414 863 E N 2.827 122.945 120.200 -0.136 0.000 2.390 863 E HA 0.703 5.053 4.350 -0.001 0.000 0.277 863 E C -1.557 174.992 176.600 -0.085 0.000 0.939 863 E CA -0.840 55.511 56.400 -0.082 0.000 0.769 863 E CB 3.348 33.047 29.700 -0.002 0.000 1.251 863 E HN 0.530 nan 8.360 nan 0.000 0.450 864 I N 2.228 122.783 120.570 -0.024 0.000 2.571 864 I HA 0.322 4.492 4.170 -0.001 0.000 0.289 864 I C -1.392 174.783 176.117 0.096 0.000 1.115 864 I CA -1.134 60.174 61.300 0.013 0.000 1.045 864 I CB 1.933 39.943 38.000 0.017 0.000 1.238 864 I HN 0.777 nan 8.210 nan 0.000 0.424 865 M N 6.308 126.002 119.600 0.157 0.000 2.228 865 M HA 0.223 4.703 4.480 -0.001 0.000 0.351 865 M C 0.573 176.968 176.300 0.159 0.000 1.233 865 M CA 0.608 56.010 55.300 0.171 0.000 1.129 865 M CB 0.939 33.614 32.600 0.125 0.000 1.604 865 M HN 0.576 nan 8.290 nan 0.000 0.457 866 Q N 1.421 121.350 119.800 0.215 0.000 2.287 866 Q HA 0.254 4.594 4.340 -0.001 0.000 0.201 866 Q C -0.252 175.959 176.000 0.352 0.000 0.946 866 Q CA 0.845 56.844 55.803 0.327 0.000 0.868 866 Q CB 0.373 29.335 28.738 0.374 0.000 0.967 866 Q HN 0.767 nan 8.270 nan 0.000 0.516 867 D N -0.949 119.588 120.400 0.228 0.000 2.671 867 D HA 0.288 4.928 4.640 -0.001 0.000 0.273 867 D C -1.431 174.942 176.300 0.121 0.000 1.264 867 D CA -0.492 53.618 54.000 0.184 0.000 0.788 867 D CB 1.452 42.352 40.800 0.166 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.795 121.355 120.500 0.101 0.000 2.584 868 R HA 0.693 5.032 4.340 -0.001 0.000 0.276 868 R C -1.079 175.267 176.300 0.077 0.000 1.046 868 R CA -1.045 55.099 56.100 0.072 0.000 0.906 868 R CB 2.133 32.448 30.300 0.026 0.000 1.215 868 R HN 0.324 nan 8.270 nan 0.000 0.449 869 R N 3.752 124.294 120.500 0.070 0.000 2.451 869 R HA 0.486 4.825 4.340 -0.001 0.000 0.307 869 R C -1.502 174.832 176.300 0.058 0.000 0.965 869 R CA -0.577 55.560 56.100 0.063 0.000 0.865 869 R CB 1.332 31.665 30.300 0.054 0.000 1.174 869 R HN 0.718 nan 8.270 nan 0.000 0.455 870 L N 3.986 125.242 121.223 0.055 0.000 2.406 870 L HA 0.512 4.852 4.340 -0.001 0.000 0.272 870 L C 0.690 177.585 176.870 0.042 0.000 0.980 870 L CA -0.565 54.305 54.840 0.050 0.000 0.831 870 L CB 2.166 44.257 42.059 0.053 0.000 1.253 870 L HN 0.820 nan 8.230 nan 0.000 0.406 871 A N 1.608 124.449 122.820 0.035 0.000 2.067 871 A HA 0.134 4.453 4.320 -0.001 0.000 0.217 871 A C 0.983 178.583 177.584 0.027 0.000 1.156 871 A CA 0.705 52.759 52.037 0.029 0.000 0.683 871 A CB 0.017 19.030 19.000 0.022 0.000 0.808 871 A HN 0.605 nan 8.150 nan 0.000 0.455 872 S N -0.105 115.612 115.700 0.028 0.000 2.608 872 S HA 0.405 4.874 4.470 -0.001 0.000 0.291 872 S C -0.561 174.059 174.600 0.033 0.000 1.146 872 S CA -0.632 57.583 58.200 0.025 0.000 1.043 872 S CB 1.417 64.627 63.200 0.017 0.000 1.037 872 S HN 0.502 nan 8.310 nan 0.000 0.520 873 D N 0.297 120.717 120.400 0.033 0.000 2.341 873 D HA 0.210 4.849 4.640 -0.001 0.000 0.245 873 D C -0.182 176.138 176.300 0.033 0.000 1.106 873 D CA -0.406 53.621 54.000 0.046 0.000 0.905 873 D CB 0.670 41.496 40.800 0.044 0.000 1.202 873 D HN 0.490 nan 8.370 nan 0.000 0.426 874 D N 1.968 122.393 120.400 0.041 0.000 2.525 874 D HA 0.073 4.712 4.640 -0.001 0.000 0.229 874 D C -0.391 175.876 176.300 -0.055 0.000 1.202 874 D CA -0.319 53.674 54.000 -0.012 0.000 0.828 874 D CB -0.445 40.337 40.800 -0.029 0.000 1.008 874 D HN 0.677 nan 8.370 nan 0.000 0.493 875 E N -0.179 120.013 120.200 -0.014 0.000 2.637 875 E HA -0.223 4.126 4.350 -0.001 0.000 0.265 875 E C 0.235 176.805 176.600 -0.051 0.000 1.073 875 E CA 0.201 56.589 56.400 -0.019 0.000 0.778 875 E CB -0.709 28.974 29.700 -0.029 0.000 1.362 875 E HN 0.240 nan 8.360 nan 0.000 0.413 876 R N -0.583 119.868 120.500 -0.081 0.000 2.509 876 R HA 0.210 4.550 4.340 -0.001 0.000 0.300 876 R C 1.362 177.749 176.300 0.145 0.000 0.985 876 R CA 0.661 56.660 56.100 -0.167 0.000 1.092 876 R CB 1.000 30.812 30.300 -0.814 0.000 1.237 876 R HN 0.404 nan 8.270 nan 0.000 0.546 877 G N 0.941 109.882 108.800 0.233 0.000 2.179 877 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.220 877 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.220 877 G C 0.729 175.746 174.900 0.195 0.000 0.990 877 G CA 0.262 45.561 45.100 0.332 0.000 0.646 877 G HN 0.307 nan 8.290 nan 0.000 0.517 878 L N 1.306 122.726 121.223 0.329 0.000 2.093 878 L HA 0.456 4.796 4.340 -0.001 0.000 0.208 878 L C 2.178 179.038 176.870 -0.017 0.000 1.085 878 L CA 2.704 57.628 54.840 0.141 0.000 0.755 878 L CB -0.582 41.716 42.059 0.397 0.000 0.904 878 L HN 1.703 nan 8.230 nan 0.000 0.435 879 G N -0.324 108.501 108.800 0.042 0.000 2.176 879 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.252 879 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.252 879 G C 0.039 174.946 174.900 0.013 0.000 1.024 879 G CA 0.612 45.717 45.100 0.008 0.000 0.755 879 G HN 0.803 nan 8.290 nan 0.000 0.507 880 Q N -2.074 117.749 119.800 0.038 0.000 2.633 880 Q HA 0.672 5.011 4.340 -0.001 0.000 0.289 880 Q C 0.434 176.466 176.000 0.053 0.000 0.940 880 Q CA -0.628 55.197 55.803 0.037 0.000 0.785 880 Q CB 0.420 29.177 28.738 0.032 0.000 1.467 880 Q HN 0.957 nan 8.270 nan 0.000 0.401 881 G N 0.089 108.916 108.800 0.045 0.000 2.504 881 G HA2 0.489 4.449 3.960 -0.001 0.000 0.257 881 G HA3 0.489 4.449 3.960 -0.001 0.000 0.257 881 G C -0.911 174.021 174.900 0.054 0.000 1.451 881 G CA -0.571 44.558 45.100 0.049 0.000 1.059 881 G HN 0.400 nan 8.290 nan 0.000 0.550 882 V N 0.788 120.735 119.914 0.056 0.000 2.305 882 V HA 0.351 4.470 4.120 -0.001 0.000 0.275 882 V C 0.086 176.218 176.094 0.063 0.000 1.020 882 V CA -0.162 62.178 62.300 0.066 0.000 0.811 882 V CB 0.983 32.849 31.823 0.072 0.000 1.031 882 V HN 0.548 nan 8.190 nan 0.000 0.439 883 L N 3.265 124.524 121.223 0.060 0.000 3.298 883 L HA 0.307 4.647 4.340 -0.001 0.000 0.296 883 L C 0.665 177.566 176.870 0.051 0.000 1.237 883 L CA 0.041 54.911 54.840 0.050 0.000 1.038 883 L CB 0.771 42.853 42.059 0.039 0.000 1.423 883 L HN 0.672 nan 8.230 nan 0.000 0.605 884 D N -1.919 118.520 120.400 0.066 0.000 2.525 884 D HA 0.048 4.687 4.640 -0.001 0.000 0.229 884 D C 0.138 176.483 176.300 0.076 0.000 1.202 884 D CA -0.445 53.596 54.000 0.068 0.000 0.828 884 D CB -0.437 40.413 40.800 0.082 0.000 1.008 884 D HN 0.082 nan 8.370 nan 0.000 0.493 885 N N 1.711 120.453 118.700 0.070 0.000 2.345 885 N HA 0.085 4.825 4.740 -0.001 0.000 0.243 885 N C 0.172 175.696 175.510 0.022 0.000 1.246 885 N CA 0.410 53.500 53.050 0.068 0.000 0.863 885 N CB 0.602 39.125 38.487 0.060 0.000 1.096 885 N HN 0.334 nan 8.380 nan 0.000 0.446 886 K N -0.351 120.049 120.400 0.001 0.000 2.508 886 K HA 0.551 4.871 4.320 -0.001 0.000 0.260 886 K C -3.260 173.313 176.600 -0.045 0.000 0.949 886 K CA -2.050 54.193 56.287 -0.073 0.000 0.834 886 K CB 1.338 33.712 32.500 -0.210 0.000 1.365 886 K HN 0.119 nan 8.250 nan 0.000 0.437 887 P HA -0.045 nan 4.420 nan 0.000 0.264 887 P C -0.997 176.322 177.300 0.030 0.000 1.183 887 P CA -0.398 62.681 63.100 -0.035 0.000 0.763 887 P CB 0.709 32.377 31.700 -0.053 0.000 0.807 888 V N 5.158 125.057 119.914 -0.025 0.000 2.841 888 V HA 0.469 4.589 4.120 -0.001 0.000 0.310 888 V C -1.279 174.687 176.094 -0.213 0.000 1.090 888 V CA -1.107 61.155 62.300 -0.063 0.000 0.930 888 V CB 2.111 33.870 31.823 -0.107 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 7.032 128.159 121.223 -0.160 0.000 2.270 889 L HA 0.583 4.923 4.340 -0.001 0.000 0.286 889 L C -0.322 176.527 176.870 -0.035 0.000 1.059 889 L CA 0.123 54.901 54.840 -0.103 0.000 0.839 889 L CB 0.212 42.233 42.059 -0.062 0.000 1.221 889 L HN 0.699 nan 8.230 nan 0.000 0.431 890 H N 5.542 124.625 119.070 0.020 0.000 2.582 890 H HA 0.476 5.032 4.556 -0.001 0.000 0.345 890 H C -0.078 175.138 175.328 -0.186 0.000 1.104 890 H CA -0.168 55.831 56.048 -0.081 0.000 1.390 890 H CB 1.200 30.979 29.762 0.028 0.000 1.461 890 H HN 0.684 nan 8.280 nan 0.000 0.551 891 I N 0.170 120.560 120.570 -0.300 0.000 2.689 891 I HA 0.610 4.779 4.170 -0.001 0.000 0.299 891 I C -1.433 174.325 176.117 -0.598 0.000 1.059 891 I CA -0.943 60.197 61.300 -0.266 0.000 1.055 891 I CB 2.150 40.092 38.000 -0.097 0.000 1.243 891 I HN 0.247 nan 8.210 nan 0.000 0.425 892 Y N 2.520 122.863 120.300 0.072 0.000 2.638 892 Y HA 0.690 5.239 4.550 -0.001 0.000 0.335 892 Y C -0.619 175.328 175.900 0.078 0.000 1.155 892 Y CA -1.089 57.060 58.100 0.081 0.000 1.046 892 Y CB 1.604 40.132 38.460 0.114 0.000 1.303 892 Y HN 0.419 nan 8.280 nan 0.000 0.460 893 R N 1.372 122.026 120.500 0.257 0.000 2.686 893 R HA 0.611 4.951 4.340 -0.001 0.000 0.286 893 R C -1.912 174.497 176.300 0.181 0.000 0.969 893 R CA -1.151 55.055 56.100 0.178 0.000 0.898 893 R CB 2.579 32.943 30.300 0.106 0.000 1.183 893 R HN 0.642 nan 8.270 nan 0.000 0.456 894 L N 2.435 123.747 121.223 0.147 0.000 2.342 894 L HA 0.415 4.755 4.340 -0.001 0.000 0.276 894 L C -1.229 175.670 176.870 0.048 0.000 0.997 894 L CA -0.551 54.353 54.840 0.108 0.000 0.838 894 L CB 1.777 43.917 42.059 0.135 0.000 1.224 894 L HN 0.303 nan 8.230 nan 0.000 0.416 895 V N 6.212 126.138 119.914 0.020 0.000 2.326 895 V HA 0.392 4.511 4.120 -0.001 0.000 0.281 895 V C -0.318 175.750 176.094 -0.044 0.000 1.015 895 V CA -0.573 61.719 62.300 -0.015 0.000 0.823 895 V CB 1.391 33.197 31.823 -0.028 0.000 1.009 895 V HN 0.625 nan 8.190 nan 0.000 0.436 896 L N 5.588 126.781 121.223 -0.049 0.000 2.275 896 L HA 0.674 5.014 4.340 -0.001 0.000 0.288 896 L C -0.128 176.702 176.870 -0.068 0.000 1.046 896 L CA 0.657 55.459 54.840 -0.063 0.000 0.805 896 L CB 1.039 43.059 42.059 -0.066 0.000 1.193 896 L HN 0.723 nan 8.230 nan 0.000 0.426 897 E N 3.646 123.799 120.200 -0.080 0.000 2.383 897 E HA 0.432 4.782 4.350 -0.001 0.000 0.275 897 E C -1.243 175.309 176.600 -0.079 0.000 0.918 897 E CA -1.212 55.137 56.400 -0.085 0.000 0.764 897 E CB 1.502 31.134 29.700 -0.113 0.000 1.252 897 E HN 0.253 nan 8.360 nan 0.000 0.449 898 K N 1.435 121.792 120.400 -0.071 0.000 2.297 898 K HA 0.169 4.488 4.320 -0.001 0.000 0.286 898 K C 0.425 176.980 176.600 -0.075 0.000 1.053 898 K CA -0.124 56.124 56.287 -0.063 0.000 0.940 898 K CB 1.145 33.613 32.500 -0.053 0.000 1.019 898 K HN 0.487 nan 8.250 nan 0.000 0.475 899 V N -0.368 119.503 119.914 -0.072 0.000 3.346 899 V HA 0.020 4.140 4.120 -0.001 0.000 0.309 899 V C 1.205 177.262 176.094 -0.060 0.000 1.457 899 V CA -0.261 61.989 62.300 -0.084 0.000 1.069 899 V CB -0.269 31.486 31.823 -0.114 0.000 0.944 899 V HN 0.617 nan 8.190 nan 0.000 0.449 900 N N 1.557 120.230 118.700 -0.045 0.000 2.289 900 N HA -0.196 4.543 4.740 -0.001 0.000 0.184 900 N C 1.053 176.542 175.510 -0.034 0.000 1.016 900 N CA 1.759 54.790 53.050 -0.032 0.000 0.872 900 N CB -0.549 37.923 38.487 -0.024 0.000 0.973 900 N HN 0.553 nan 8.380 nan 0.000 0.433 901 N N 0.064 118.739 118.700 -0.043 0.000 2.336 901 N HA 0.061 4.801 4.740 -0.001 0.000 0.189 901 N C -0.239 175.240 175.510 -0.052 0.000 1.113 901 N CA -0.061 52.963 53.050 -0.043 0.000 0.858 901 N CB 0.081 38.542 38.487 -0.043 0.000 0.970 901 N HN 0.223 nan 8.380 nan 0.000 0.471 902 c N 1.386 119.949 118.600 -0.062 0.000 2.601 902 c HA 0.254 4.823 4.570 -0.001 0.000 0.409 902 c C 1.063 175.115 174.090 -0.064 0.000 1.293 902 c CA -0.963 55.321 56.329 -0.075 0.000 2.101 902 c CB 0.762 43.213 42.510 -0.099 0.000 2.639 902 c HN 0.012 nan 8.230 nan 0.000 0.592 903 V N 5.723 125.596 119.914 -0.069 0.000 2.397 903 V HA 0.182 4.301 4.120 -0.001 0.000 0.262 903 V C 0.672 176.729 176.094 -0.062 0.000 1.047 903 V CA 0.468 62.733 62.300 -0.059 0.000 1.003 903 V CB -0.695 31.088 31.823 -0.066 0.000 1.037 903 V HN 0.793 nan 8.190 nan 0.000 0.480 904 R N 4.621 125.097 120.500 -0.039 0.000 2.758 904 R HA 0.537 4.876 4.340 -0.001 0.000 0.265 904 R C -2.432 173.864 176.300 -0.007 0.000 1.016 904 R CA -1.870 54.215 56.100 -0.025 0.000 1.040 904 R CB 1.066 31.356 30.300 -0.017 0.000 1.152 904 R HN 0.400 nan 8.270 nan 0.000 0.503 905 P HA -0.044 nan 4.420 nan 0.000 0.270 905 P C -0.389 176.955 177.300 0.073 0.000 1.223 905 P CA -0.152 62.941 63.100 -0.011 0.000 0.785 905 P CB 0.566 32.183 31.700 -0.139 0.000 0.923 906 S N 0.955 116.728 115.700 0.122 0.000 2.596 906 S HA 0.032 4.501 4.470 -0.001 0.000 0.260 906 S C 1.299 175.981 174.600 0.137 0.000 1.336 906 S CA -0.207 58.063 58.200 0.117 0.000 0.993 906 S CB 0.333 63.604 63.200 0.118 0.000 0.923 906 S HN 0.522 nan 8.310 nan 0.000 0.567 907 K N -0.445 120.016 120.400 0.102 0.000 2.280 907 K HA -0.049 4.270 4.320 -0.001 0.000 0.202 907 K C 1.017 177.674 176.600 0.095 0.000 1.047 907 K CA 1.000 57.344 56.287 0.095 0.000 0.942 907 K CB -0.366 32.174 32.500 0.067 0.000 0.739 907 K HN 0.588 nan 8.250 nan 0.000 0.457 908 L N 0.491 121.772 121.223 0.097 0.000 2.592 908 L HA 0.093 4.433 4.340 -0.001 0.000 0.227 908 L C 0.857 177.779 176.870 0.087 0.000 1.127 908 L CA 0.448 55.329 54.840 0.068 0.000 0.884 908 L CB -0.466 41.618 42.059 0.041 0.000 1.065 908 L HN 0.185 nan 8.230 nan 0.000 0.457 909 H N 2.088 121.196 119.070 0.062 0.000 2.803 909 H HA 0.115 4.671 4.556 -0.001 0.000 0.330 909 H C -1.605 173.763 175.328 0.067 0.000 1.057 909 H CA -1.431 54.666 56.048 0.082 0.000 1.458 909 H CB 1.642 31.480 29.762 0.126 0.000 1.470 909 H HN -0.066 nan 8.280 nan 0.000 0.560 910 P HA 0.137 nan 4.420 nan 0.000 0.249 910 P C -0.386 177.030 177.300 0.193 0.000 1.229 910 P CA 0.184 63.334 63.100 0.083 0.000 0.788 910 P CB 0.468 32.142 31.700 -0.044 0.000 1.072 911 A N -0.358 122.739 122.820 0.462 0.000 2.299 911 A HA 0.763 5.083 4.320 -0.001 0.000 0.332 911 A C 0.284 177.915 177.584 0.079 0.000 1.131 911 A CA -0.306 51.850 52.037 0.199 0.000 0.844 911 A CB 1.059 20.145 19.000 0.144 0.000 1.251 911 A HN 0.169 nan 8.150 nan 0.000 0.486 912 G N -1.465 107.258 108.800 -0.128 0.000 2.680 912 G HA2 0.637 4.596 3.960 -0.001 0.000 0.290 912 G HA3 0.637 4.596 3.960 -0.001 0.000 0.290 912 G C -1.879 172.644 174.900 -0.628 0.000 1.355 912 G CA -0.416 44.509 45.100 -0.292 0.000 0.903 912 G HN 0.531 nan 8.290 nan 0.000 0.474 913 Y N -0.906 119.356 120.300 -0.064 0.000 2.534 913 Y HA 0.487 5.036 4.550 -0.001 0.000 0.345 913 Y C 0.353 176.012 175.900 -0.401 0.000 1.031 913 Y CA -0.847 57.148 58.100 -0.175 0.000 1.022 913 Y CB 1.995 40.342 38.460 -0.188 0.000 1.292 913 Y HN 0.356 nan 8.280 nan 0.000 0.459 914 L N 2.146 123.203 121.223 -0.277 0.000 2.464 914 L HA 0.344 4.683 4.340 -0.001 0.000 0.264 914 L C 0.771 177.482 176.870 -0.265 0.000 1.199 914 L CA -0.468 54.128 54.840 -0.407 0.000 0.818 914 L CB 0.757 42.659 42.059 -0.262 0.000 1.102 914 L HN 0.808 nan 8.230 nan 0.000 0.473 915 T N -2.410 111.978 114.554 -0.277 0.000 2.816 915 T HA 0.049 4.398 4.350 -0.001 0.000 0.282 915 T C 1.205 175.847 174.700 -0.096 0.000 0.993 915 T CA -0.136 61.855 62.100 -0.182 0.000 0.994 915 T CB 1.443 70.200 68.868 -0.185 0.000 1.025 915 T HN 0.620 nan 8.240 nan 0.000 0.529 916 S N 0.681 116.335 115.700 -0.076 0.000 2.368 916 S HA -0.231 4.238 4.470 -0.001 0.000 0.226 916 S C 2.306 176.909 174.600 0.006 0.000 1.044 916 S CA 1.890 60.075 58.200 -0.025 0.000 1.062 916 S CB -1.272 61.899 63.200 -0.049 0.000 0.931 916 S HN 0.948 nan 8.310 nan 0.000 0.440 917 A N 0.931 123.731 122.820 -0.032 0.000 1.930 917 A HA 0.294 4.614 4.320 -0.001 0.000 0.217 917 A C 2.450 180.023 177.584 -0.017 0.000 1.175 917 A CA 1.797 53.818 52.037 -0.026 0.000 0.627 917 A CB -1.254 17.720 19.000 -0.042 0.000 0.815 917 A HN 0.795 nan 8.150 nan 0.000 0.443 918 A N -0.989 121.808 122.820 -0.038 0.000 1.929 918 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 918 A C 2.000 179.606 177.584 0.036 0.000 1.176 918 A CA 1.913 53.931 52.037 -0.031 0.000 0.628 918 A CB -0.817 18.111 19.000 -0.121 0.000 0.816 918 A HN 0.751 nan 8.150 nan 0.000 0.444 919 H N 0.155 119.204 119.070 -0.034 0.000 2.321 919 H HA -0.042 4.513 4.556 -0.001 0.000 0.300 919 H C 1.920 177.277 175.328 0.049 0.000 1.087 919 H CA 2.212 58.276 56.048 0.027 0.000 1.319 919 H CB -0.097 29.674 29.762 0.016 0.000 1.379 919 H HN 0.404 nan 8.280 nan 0.000 0.501 920 K N -0.198 120.162 120.400 -0.066 0.000 2.097 920 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 920 K C 2.387 178.946 176.600 -0.068 0.000 1.049 920 K CA 0.900 57.128 56.287 -0.098 0.000 0.933 920 K CB -0.145 32.344 32.500 -0.018 0.000 0.717 920 K HN 0.389 nan 8.250 nan 0.000 0.442 921 A N 0.912 123.716 122.820 -0.027 0.000 1.902 921 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 921 A C 2.221 179.802 177.584 -0.005 0.000 1.181 921 A CA 2.065 54.100 52.037 -0.003 0.000 0.623 921 A CB -0.706 18.307 19.000 0.021 0.000 0.818 921 A HN 0.286 nan 8.150 nan 0.000 0.443 922 S N -0.647 115.054 115.700 0.001 0.000 2.368 922 S HA -0.247 4.222 4.470 -0.001 0.000 0.225 922 S C 2.144 176.722 174.600 -0.035 0.000 1.030 922 S CA 1.775 59.989 58.200 0.024 0.000 0.999 922 S CB -0.423 62.836 63.200 0.100 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.597 120.329 119.800 -0.113 0.000 2.170 923 Q HA -0.096 4.244 4.340 -0.001 0.000 0.203 923 Q C 2.507 178.451 176.000 -0.093 0.000 0.976 923 Q CA 1.684 57.422 55.803 -0.109 0.000 0.858 923 Q CB -0.331 28.322 28.738 -0.140 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.269 115.925 115.700 -0.072 0.000 2.423 924 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 924 S C 1.854 176.394 174.600 -0.100 0.000 1.014 924 S CA 0.709 58.864 58.200 -0.075 0.000 0.965 924 S CB -0.230 62.945 63.200 -0.041 0.000 0.785 924 S HN 0.284 nan 8.310 nan 0.000 0.495 925 L N 0.005 121.178 121.223 -0.083 0.000 2.168 925 L HA 0.219 4.559 4.340 -0.001 0.000 0.203 925 L C 2.524 179.307 176.870 -0.144 0.000 1.078 925 L CA 0.730 55.514 54.840 -0.093 0.000 0.780 925 L CB -0.359 41.669 42.059 -0.052 0.000 0.939 925 L HN 0.284 nan 8.230 nan 0.000 0.451 926 L N -1.187 119.954 121.223 -0.136 0.000 2.202 926 L HA 0.024 4.364 4.340 -0.001 0.000 0.205 926 L C 0.200 176.903 176.870 -0.278 0.000 1.083 926 L CA 0.808 55.545 54.840 -0.170 0.000 0.790 926 L CB 0.092 42.085 42.059 -0.110 0.000 0.942 926 L HN 0.201 nan 8.230 nan 0.000 0.452 927 D N 0.432 120.662 120.400 -0.284 0.000 2.613 927 D HA 0.235 4.875 4.640 -0.001 0.000 0.312 927 D C -2.344 173.708 176.300 -0.414 0.000 1.202 927 D CA -1.009 52.748 54.000 -0.406 0.000 0.825 927 D CB 1.299 42.060 40.800 -0.066 0.000 1.113 927 D HN 0.061 nan 8.370 nan 0.000 0.502 928 P HA 0.118 nan 4.420 nan 0.000 0.274 928 P C 0.622 177.775 177.300 -0.244 0.000 1.260 928 P CA -0.502 62.410 63.100 -0.314 0.000 0.793 928 P CB 1.490 33.013 31.700 -0.296 0.000 1.048 929 L N 0.705 121.854 121.223 -0.123 0.000 2.514 929 L HA 0.068 4.407 4.340 -0.001 0.000 0.280 929 L C 0.909 177.782 176.870 0.004 0.000 1.223 929 L CA 0.473 55.294 54.840 -0.031 0.000 0.864 929 L CB -0.345 41.714 42.059 0.000 0.000 1.118 929 L HN 0.280 nan 8.230 nan 0.000 0.494 930 D N 3.073 123.563 120.400 0.149 0.000 2.225 930 D HA 0.342 4.981 4.640 -0.001 0.000 0.249 930 D C -0.345 176.011 176.300 0.094 0.000 1.052 930 D CA -0.310 53.765 54.000 0.125 0.000 0.909 930 D CB 1.697 42.662 40.800 0.274 0.000 1.186 930 D HN 0.371 nan 8.370 nan 0.000 0.431 931 K N 1.312 121.647 120.400 -0.109 0.000 2.345 931 K HA 0.470 4.790 4.320 -0.001 0.000 0.255 931 K C -1.070 175.479 176.600 -0.085 0.000 0.934 931 K CA -0.657 55.676 56.287 0.077 0.000 0.801 931 K CB 1.614 34.112 32.500 -0.004 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.626 122.783 119.950 0.345 0.000 2.529 932 F HA 0.493 5.019 4.527 -0.001 0.000 0.320 932 F C -0.019 176.073 175.800 0.487 0.000 1.118 932 F CA -0.858 57.329 58.000 0.312 0.000 0.915 932 F CB 1.297 40.291 39.000 -0.011 0.000 1.161 932 F HN 0.200 nan 8.300 nan 0.000 0.445 933 I N 3.610 124.569 120.570 0.648 0.000 2.362 933 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 933 I C -0.543 175.876 176.117 0.502 0.000 0.994 933 I CA -0.832 60.772 61.300 0.507 0.000 1.158 933 I CB 1.198 39.394 38.000 0.326 0.000 1.315 933 I HN 0.438 nan 8.210 nan 0.000 0.451 934 F N 5.807 125.935 119.950 0.297 0.000 2.578 934 F HA 0.174 4.700 4.527 -0.001 0.000 0.376 934 F C 1.215 176.940 175.800 -0.126 0.000 1.085 934 F CA 0.158 58.031 58.000 -0.212 0.000 1.260 934 F CB 1.155 40.047 39.000 -0.179 0.000 1.095 934 F HN 0.611 nan 8.300 nan 0.000 0.573 935 A N 4.752 127.032 122.820 -0.900 0.000 1.898 935 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 935 A C 1.081 178.412 177.584 -0.421 0.000 1.183 935 A CA 0.683 52.398 52.037 -0.537 0.000 0.622 935 A CB -0.466 18.186 19.000 -0.579 0.000 0.824 935 A HN 0.780 nan 8.150 nan 0.000 0.444 936 E N -0.498 119.298 120.200 -0.673 0.000 2.385 936 E HA 0.130 4.479 4.350 -0.001 0.000 0.254 936 E C 0.191 176.887 176.600 0.159 0.000 1.228 936 E CA -0.628 55.676 56.400 -0.159 0.000 0.956 936 E CB 0.178 29.837 29.700 -0.069 0.000 1.116 936 E HN 0.242 nan 8.360 nan 0.000 0.507 937 N N 0.495 119.310 118.700 0.191 0.000 2.216 937 N HA -0.082 4.658 4.740 -0.001 0.000 0.183 937 N C -0.152 175.524 175.510 0.277 0.000 1.017 937 N CA 0.960 54.137 53.050 0.211 0.000 0.861 937 N CB 0.226 38.793 38.487 0.133 0.000 0.986 937 N HN 0.436 nan 8.380 nan 0.000 0.428 938 E N -0.771 119.620 120.200 0.319 0.000 2.256 938 E HA 0.124 4.474 4.350 -0.001 0.000 0.268 938 E C -1.549 175.196 176.600 0.242 0.000 0.877 938 E CA -0.706 55.821 56.400 0.211 0.000 0.757 938 E CB 1.234 31.012 29.700 0.129 0.000 1.183 938 E HN 0.003 nan 8.360 nan 0.000 0.418 939 W N 8.028 129.074 121.300 -0.424 0.000 2.298 939 W HA 0.403 5.063 4.660 -0.001 0.000 0.327 939 W C -1.280 175.056 176.519 -0.304 0.000 0.988 939 W CA -1.437 55.508 57.345 -0.666 0.000 1.448 939 W CB -0.027 28.496 29.460 -1.562 0.000 1.243 939 W HN 0.454 nan 8.180 nan 0.000 0.388 940 I N 6.168 126.845 120.570 0.179 0.000 2.496 940 I HA 0.226 4.396 4.170 -0.001 0.000 0.285 940 I C 1.464 177.551 176.117 -0.050 0.000 1.080 940 I CA 0.986 62.305 61.300 0.031 0.000 1.404 940 I CB 0.462 38.510 38.000 0.081 0.000 1.403 940 I HN 0.788 nan 8.210 nan 0.000 0.539 941 G N 4.364 113.051 108.800 -0.189 0.000 2.143 941 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.249 941 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.249 941 G C 0.429 175.055 174.900 -0.457 0.000 0.981 941 G CA -0.065 44.900 45.100 -0.224 0.000 0.665 941 G HN 0.990 nan 8.290 nan 0.000 0.528 942 A N -0.371 121.919 122.820 -0.882 0.000 2.531 942 A HA 0.546 4.865 4.320 -0.001 0.000 0.236 942 A C 0.588 177.734 177.584 -0.731 0.000 1.062 942 A CA 0.892 52.050 52.037 -1.465 0.000 0.760 942 A CB 0.224 18.071 19.000 -1.921 0.000 0.995 942 A HN 0.654 nan 8.150 nan 0.000 0.501 943 Q N 0.725 120.172 119.800 -0.589 0.000 2.351 943 Q HA 0.531 4.871 4.340 -0.001 0.000 0.273 943 Q C 1.089 176.967 176.000 -0.203 0.000 1.077 943 Q CA -0.254 55.376 55.803 -0.289 0.000 0.843 943 Q CB 1.910 30.546 28.738 -0.170 0.000 1.367 943 Q HN 0.786 nan 8.270 nan 0.000 0.449 944 G N 0.047 108.768 108.800 -0.131 0.000 2.603 944 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.214 944 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.214 944 G C 0.193 175.064 174.900 -0.048 0.000 1.140 944 G CA 0.564 45.603 45.100 -0.101 0.000 0.800 944 G HN 0.435 nan 8.290 nan 0.000 0.533 945 Q N -1.413 118.375 119.800 -0.020 0.000 2.472 945 Q HA 0.525 4.865 4.340 -0.001 0.000 0.281 945 Q C -2.369 173.653 176.000 0.038 0.000 0.997 945 Q CA -0.931 54.876 55.803 0.007 0.000 0.828 945 Q CB 2.224 30.952 28.738 -0.017 0.000 1.443 945 Q HN 0.051 nan 8.270 nan 0.000 0.390 946 F N 1.140 121.000 119.950 -0.151 0.000 2.569 946 F HA 0.644 5.170 4.527 -0.001 0.000 0.312 946 F C 0.477 176.031 175.800 -0.409 0.000 1.109 946 F CA 0.459 58.303 58.000 -0.260 0.000 0.919 946 F CB 2.080 40.937 39.000 -0.238 0.000 1.211 946 F HN 0.674 nan 8.300 nan 0.000 0.446 947 G N 3.014 110.826 108.800 -1.647 0.000 2.141 947 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.231 947 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.231 947 G C 1.022 175.245 174.900 -1.129 0.000 0.984 947 G CA 0.241 44.098 45.100 -2.072 0.000 0.660 947 G HN 1.572 nan 8.290 nan 0.000 0.525 948 G N 1.167 109.602 108.800 -0.607 0.000 2.470 948 G HA2 0.011 3.971 3.960 -0.001 0.000 0.220 948 G HA3 0.011 3.971 3.960 -0.001 0.000 0.220 948 G C 1.237 176.073 174.900 -0.107 0.000 1.121 948 G CA 1.747 46.726 45.100 -0.202 0.000 0.766 948 G HN 0.836 nan 8.290 nan 0.000 0.553 949 D N -0.680 119.568 120.400 -0.254 0.000 2.328 949 D HA 0.014 4.654 4.640 -0.001 0.000 0.221 949 D C 0.260 176.552 176.300 -0.014 0.000 1.072 949 D CA -0.445 53.499 54.000 -0.094 0.000 0.850 949 D CB -0.846 39.905 40.800 -0.083 0.000 0.922 949 D HN 0.449 nan 8.370 nan 0.000 0.516 950 H N 1.059 120.024 119.070 -0.176 0.000 2.683 950 H HA 0.255 4.810 4.556 -0.001 0.000 0.339 950 H C -2.019 173.279 175.328 -0.049 0.000 1.081 950 H CA -1.869 54.098 56.048 -0.135 0.000 1.432 950 H CB 0.777 30.407 29.762 -0.220 0.000 1.462 950 H HN -0.013 nan 8.280 nan 0.000 0.557 951 P HA -0.060 nan 4.420 nan 0.000 0.268 951 P C -0.561 176.808 177.300 0.115 0.000 1.205 951 P CA 0.063 63.227 63.100 0.106 0.000 0.771 951 P CB 0.729 32.469 31.700 0.066 0.000 0.858 952 S N 2.299 118.102 115.700 0.172 0.000 2.464 952 S HA 0.559 5.028 4.470 -0.001 0.000 0.313 952 S C 0.058 174.766 174.600 0.179 0.000 1.078 952 S CA -0.581 57.749 58.200 0.217 0.000 1.096 952 S CB -0.737 62.710 63.200 0.410 0.000 1.032 952 S HN 0.493 nan 8.310 nan 0.000 0.498 953 A N 4.545 127.461 122.820 0.160 0.000 2.332 953 A HA 0.470 4.790 4.320 -0.001 0.000 0.258 953 A C 0.632 178.281 177.584 0.107 0.000 1.087 953 A CA -0.577 51.531 52.037 0.120 0.000 0.802 953 A CB 0.216 19.282 19.000 0.111 0.000 1.042 953 A HN 0.913 nan 8.150 nan 0.000 0.489 954 R N 0.248 120.778 120.500 0.051 0.000 2.678 954 R HA -0.067 4.272 4.340 -0.001 0.000 0.264 954 R C 1.267 177.571 176.300 0.006 0.000 0.995 954 R CA 0.998 57.100 56.100 0.003 0.000 1.098 954 R CB 0.325 30.613 30.300 -0.020 0.000 0.949 954 R HN 0.923 nan 8.270 nan 0.000 0.422 955 E N 1.838 122.002 120.200 -0.060 0.000 2.268 955 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 955 E C 0.308 176.926 176.600 0.031 0.000 0.995 955 E CA 1.412 57.757 56.400 -0.093 0.000 0.836 955 E CB -0.029 29.591 29.700 -0.133 0.000 0.763 955 E HN 0.759 nan 8.360 nan 0.000 0.491 956 D N 0.701 121.080 120.400 -0.035 0.000 2.340 956 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 956 D C 0.332 176.617 176.300 -0.024 0.000 1.039 956 D CA -0.120 53.816 54.000 -0.107 0.000 0.866 956 D CB -0.010 40.674 40.800 -0.195 0.000 0.913 956 D HN 0.167 nan 8.370 nan 0.000 0.523 957 L N 0.742 122.003 121.223 0.063 0.000 2.309 957 L HA 0.535 4.874 4.340 -0.001 0.000 0.282 957 L C -1.172 175.818 176.870 0.200 0.000 1.036 957 L CA -0.497 54.398 54.840 0.092 0.000 0.806 957 L CB 1.717 43.820 42.059 0.073 0.000 1.220 957 L HN -0.221 nan 8.230 nan 0.000 0.429 958 D N 2.366 122.905 120.400 0.232 0.000 2.575 958 D HA 0.360 4.999 4.640 -0.001 0.000 0.236 958 D C -1.271 175.183 176.300 0.256 0.000 1.075 958 D CA -0.269 53.891 54.000 0.266 0.000 0.860 958 D CB 2.423 43.427 40.800 0.339 0.000 1.475 958 D HN 0.245 nan 8.370 nan 0.000 0.474 959 V N 3.531 123.574 119.914 0.214 0.000 2.267 959 V HA 0.111 4.230 4.120 -0.001 0.000 0.254 959 V C 1.353 177.578 176.094 0.218 0.000 1.144 959 V CA 0.027 62.466 62.300 0.231 0.000 0.992 959 V CB 0.328 32.275 31.823 0.207 0.000 1.199 959 V HN 0.579 nan 8.190 nan 0.000 0.493 960 S N 3.098 118.956 115.700 0.263 0.000 2.382 960 S HA -0.029 4.440 4.470 -0.001 0.000 0.228 960 S C 0.689 175.342 174.600 0.088 0.000 1.027 960 S CA 0.947 59.257 58.200 0.183 0.000 0.991 960 S CB 0.152 63.521 63.200 0.282 0.000 0.823 960 S HN 0.500 nan 8.310 nan 0.000 0.469 961 V N 1.470 121.477 119.914 0.155 0.000 2.686 961 V HA 0.524 4.644 4.120 -0.001 0.000 0.306 961 V C -0.759 175.408 176.094 0.121 0.000 1.065 961 V CA -0.534 61.833 62.300 0.113 0.000 0.894 961 V CB 1.877 33.793 31.823 0.154 0.000 1.004 961 V HN 0.372 nan 8.190 nan 0.000 0.424 962 M N 5.644 125.237 119.600 -0.011 0.000 2.197 962 M HA 0.682 5.162 4.480 -0.001 0.000 0.301 962 M C -1.045 175.091 176.300 -0.273 0.000 0.987 962 M CA -0.515 54.650 55.300 -0.225 0.000 0.921 962 M CB 1.482 33.957 32.600 -0.209 0.000 1.569 962 M HN 0.745 nan 8.290 nan 0.000 0.431 963 R N 4.198 124.466 120.500 -0.387 0.000 2.510 963 R HA 0.421 4.760 4.340 -0.001 0.000 0.294 963 R C -1.385 174.688 176.300 -0.378 0.000 1.056 963 R CA -0.677 55.246 56.100 -0.295 0.000 0.918 963 R CB 1.766 31.974 30.300 -0.153 0.000 1.187 963 R HN 0.905 nan 8.270 nan 0.000 0.437 964 R N 4.487 124.822 120.500 -0.276 0.000 2.442 964 R HA 0.126 4.466 4.340 -0.001 0.000 0.291 964 R C 0.196 176.385 176.300 -0.186 0.000 1.069 964 R CA 0.073 56.037 56.100 -0.228 0.000 1.022 964 R CB 0.618 30.841 30.300 -0.128 0.000 0.976 964 R HN 0.711 nan 8.270 nan 0.000 0.443 965 L N 3.047 124.152 121.223 -0.198 0.000 2.585 965 L HA 0.140 4.480 4.340 -0.001 0.000 0.226 965 L C 0.289 177.105 176.870 -0.089 0.000 1.113 965 L CA 0.056 54.800 54.840 -0.160 0.000 0.876 965 L CB 0.386 42.316 42.059 -0.215 0.000 1.072 965 L HN 0.719 nan 8.230 nan 0.000 0.468 966 T N -2.762 111.752 114.554 -0.067 0.000 2.887 966 T HA 0.452 4.801 4.350 -0.001 0.000 0.288 966 T C -0.265 174.428 174.700 -0.011 0.000 1.021 966 T CA -0.921 61.159 62.100 -0.034 0.000 1.000 966 T CB 2.453 71.307 68.868 -0.023 0.000 1.034 966 T HN -0.088 nan 8.240 nan 0.000 0.467 967 K N 0.906 121.305 120.400 -0.001 0.000 2.117 967 K HA 0.346 4.666 4.320 -0.001 0.000 0.240 967 K C 1.610 178.226 176.600 0.026 0.000 1.031 967 K CA -0.312 55.987 56.287 0.019 0.000 0.909 967 K CB 0.589 33.099 32.500 0.016 0.000 1.097 967 K HN 0.798 nan 8.250 nan 0.000 0.492 968 S N -0.632 115.093 115.700 0.041 0.000 2.447 968 S HA -0.150 4.320 4.470 -0.001 0.000 0.233 968 S C 1.814 176.431 174.600 0.029 0.000 1.006 968 S CA 1.400 59.624 58.200 0.040 0.000 0.957 968 S CB -0.386 62.845 63.200 0.052 0.000 0.773 968 S HN 0.638 nan 8.310 nan 0.000 0.507 969 S N 1.898 117.613 115.700 0.025 0.000 2.474 969 S HA 0.320 4.790 4.470 -0.001 0.000 0.235 969 S C 0.904 175.512 174.600 0.013 0.000 0.997 969 S CA 0.185 58.397 58.200 0.019 0.000 0.949 969 S CB -0.745 62.466 63.200 0.018 0.000 0.766 969 S HN 0.795 nan 8.310 nan 0.000 0.517 970 A N 1.933 124.759 122.820 0.011 0.000 2.451 970 A HA 0.348 4.667 4.320 -0.001 0.000 0.266 970 A C 1.254 178.845 177.584 0.011 0.000 1.119 970 A CA -0.330 51.711 52.037 0.006 0.000 0.786 970 A CB 0.132 19.132 19.000 -0.000 0.000 1.061 970 A HN 0.474 nan 8.150 nan 0.000 0.503 971 K N 1.821 122.226 120.400 0.008 0.000 2.063 971 K HA -0.102 4.217 4.320 -0.001 0.000 0.208 971 K C 0.086 176.696 176.600 0.016 0.000 1.048 971 K CA 1.698 57.992 56.287 0.012 0.000 0.928 971 K CB -0.039 32.465 32.500 0.007 0.000 0.713 971 K HN 0.661 nan 8.250 nan 0.000 0.442 972 T N 2.471 117.031 114.554 0.011 0.000 2.781 972 T HA 0.178 4.528 4.350 -0.001 0.000 0.305 972 T C -0.818 173.895 174.700 0.022 0.000 1.001 972 T CA -0.671 61.438 62.100 0.015 0.000 0.950 972 T CB 1.422 70.287 68.868 -0.004 0.000 0.955 972 T HN 0.081 nan 8.240 nan 0.000 0.471 973 Q N 2.774 122.606 119.800 0.054 0.000 2.340 973 Q HA 0.378 4.717 4.340 -0.001 0.000 0.249 973 Q C 0.112 176.166 176.000 0.090 0.000 0.957 973 Q CA 0.145 55.985 55.803 0.062 0.000 0.882 973 Q CB 1.217 29.997 28.738 0.069 0.000 1.235 973 Q HN 0.545 nan 8.270 nan 0.000 0.439 974 R N 0.391 120.910 120.500 0.032 0.000 2.628 974 R HA 0.659 4.998 4.340 -0.001 0.000 0.288 974 R C -1.086 175.167 176.300 -0.077 0.000 0.980 974 R CA -0.665 55.438 56.100 0.004 0.000 0.891 974 R CB 1.863 32.129 30.300 -0.056 0.000 1.188 974 R HN 0.259 nan 8.270 nan 0.000 0.450 975 V N 1.464 121.329 119.914 -0.083 0.000 2.588 975 V HA 0.603 4.723 4.120 -0.001 0.000 0.304 975 V C 0.154 175.969 176.094 -0.465 0.000 1.042 975 V CA -0.842 61.275 62.300 -0.305 0.000 0.877 975 V CB 2.062 33.715 31.823 -0.284 0.000 0.996 975 V HN 0.946 nan 8.190 nan 0.000 0.425 976 G N 2.917 111.240 108.800 -0.795 0.000 2.371 976 G HA2 0.671 4.630 3.960 -0.001 0.000 0.326 976 G HA3 0.671 4.630 3.960 -0.001 0.000 0.326 976 G C -1.677 172.793 174.900 -0.716 0.000 1.127 976 G CA -0.313 44.170 45.100 -1.029 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.447 120.843 120.300 0.159 0.000 2.406 977 Y HA 0.454 5.004 4.550 -0.001 0.000 0.340 977 Y C -0.133 176.035 175.900 0.447 0.000 0.975 977 Y CA -0.901 57.374 58.100 0.292 0.000 1.056 977 Y CB 2.737 41.331 38.460 0.223 0.000 1.210 977 Y HN 0.344 nan 8.280 nan 0.000 0.448 978 V N 5.288 125.496 119.914 0.490 0.000 2.370 978 V HA 0.398 4.518 4.120 -0.001 0.000 0.283 978 V C -0.343 175.976 176.094 0.376 0.000 1.023 978 V CA -0.739 61.773 62.300 0.354 0.000 0.857 978 V CB 1.198 33.179 31.823 0.264 0.000 0.985 978 V HN 0.587 nan 8.190 nan 0.000 0.443 979 L N 4.815 126.246 121.223 0.348 0.000 2.296 979 L HA 0.577 4.916 4.340 -0.001 0.000 0.286 979 L C -0.702 176.363 176.870 0.324 0.000 1.023 979 L CA -0.634 54.402 54.840 0.327 0.000 0.812 979 L CB 1.496 43.741 42.059 0.311 0.000 1.223 979 L HN 0.694 nan 8.230 nan 0.000 0.421 980 H N 3.806 123.026 119.070 0.250 0.000 2.547 980 H HA 0.402 4.957 4.556 -0.001 0.000 0.342 980 H C -1.043 174.369 175.328 0.140 0.000 1.048 980 H CA -0.549 55.618 56.048 0.198 0.000 1.204 980 H CB 1.402 31.356 29.762 0.320 0.000 1.493 980 H HN 0.432 nan 8.280 nan 0.000 0.511 981 R N 4.487 124.631 120.500 -0.593 0.000 2.295 981 R HA 0.265 4.604 4.340 -0.001 0.000 0.324 981 R C -0.297 175.570 176.300 -0.722 0.000 0.968 981 R CA -0.407 55.415 56.100 -0.463 0.000 0.837 981 R CB 1.259 31.419 30.300 -0.235 0.000 1.133 981 R HN 0.780 nan 8.270 nan 0.000 0.450 982 T N 1.597 115.877 114.554 -0.458 0.000 2.793 982 T HA 0.157 4.506 4.350 -0.001 0.000 0.299 982 T C -0.439 174.082 174.700 -0.299 0.000 1.038 982 T CA -0.379 61.551 62.100 -0.284 0.000 0.948 982 T CB 0.575 69.362 68.868 -0.136 0.000 1.231 982 T HN 0.664 nan 8.240 nan 0.000 0.538 983 N N 0.611 119.159 118.700 -0.253 0.000 2.399 983 N HA 0.470 5.210 4.740 -0.001 0.000 0.284 983 N C -1.460 173.884 175.510 -0.277 0.000 1.025 983 N CA -0.498 52.343 53.050 -0.349 0.000 0.885 983 N CB 0.677 38.802 38.487 -0.603 0.000 1.339 983 N HN 0.468 nan 8.380 nan 0.000 0.487 984 L N 2.556 123.612 121.223 -0.278 0.000 2.331 984 L HA 0.546 4.885 4.340 -0.001 0.000 0.275 984 L C 0.510 177.251 176.870 -0.216 0.000 1.022 984 L CA -0.973 53.738 54.840 -0.215 0.000 0.812 984 L CB 1.593 43.533 42.059 -0.198 0.000 1.257 984 L HN 0.381 nan 8.230 nan 0.000 0.435 985 M N 2.046 121.540 119.600 -0.176 0.000 2.245 985 M HA 0.091 4.571 4.480 -0.001 0.000 0.344 985 M C -0.182 176.028 176.300 -0.150 0.000 1.170 985 M CA -0.153 55.047 55.300 -0.167 0.000 1.135 985 M CB 0.533 33.041 32.600 -0.154 0.000 1.574 985 M HN 0.454 nan 8.290 nan 0.000 0.452 986 Q N 2.057 121.773 119.800 -0.139 0.000 2.323 986 Q HA 0.178 4.517 4.340 -0.001 0.000 0.257 986 Q C -0.229 175.713 176.000 -0.097 0.000 1.022 986 Q CA 0.145 55.880 55.803 -0.113 0.000 0.919 986 Q CB 0.819 29.495 28.738 -0.104 0.000 1.220 986 Q HN 0.799 nan 8.270 nan 0.000 0.427 987 c N 0.609 119.155 118.600 -0.090 0.000 2.976 987 c HA 0.374 4.944 4.570 -0.001 0.000 0.274 987 c C 1.264 175.314 174.090 -0.066 0.000 1.487 987 c CA -0.043 56.238 56.329 -0.080 0.000 1.789 987 c CB -0.400 42.056 42.510 -0.089 0.000 2.771 987 c HN 1.000 nan 8.230 nan 0.000 0.551 988 G N 1.399 110.161 108.800 -0.062 0.000 2.141 988 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.231 988 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.231 988 G C -0.014 174.856 174.900 -0.050 0.000 0.984 988 G CA 0.342 45.411 45.100 -0.052 0.000 0.660 988 G HN 0.452 nan 8.290 nan 0.000 0.525 989 T N 2.890 117.410 114.554 -0.057 0.000 2.729 989 T HA 0.498 4.848 4.350 -0.001 0.000 0.296 989 T C -1.689 172.978 174.700 -0.055 0.000 0.928 989 T CA -0.593 61.475 62.100 -0.054 0.000 1.045 989 T CB 1.492 70.324 68.868 -0.059 0.000 0.902 989 T HN 0.185 nan 8.240 nan 0.000 0.500 990 P HA 0.077 nan 4.420 nan 0.000 0.264 990 P C 0.011 177.277 177.300 -0.057 0.000 1.183 990 P CA -0.217 62.857 63.100 -0.044 0.000 0.763 990 P CB 0.468 32.150 31.700 -0.030 0.000 0.807 991 E N 2.502 122.666 120.200 -0.060 0.000 2.290 991 E HA 0.044 4.394 4.350 -0.001 0.000 0.277 991 E C 0.019 176.566 176.600 -0.089 0.000 1.035 991 E CA -0.525 55.828 56.400 -0.078 0.000 0.873 991 E CB 0.506 30.164 29.700 -0.070 0.000 1.029 991 E HN 0.455 nan 8.360 nan 0.000 0.419 992 E N 3.618 123.724 120.200 -0.156 0.000 2.319 992 E HA 0.087 4.437 4.350 -0.001 0.000 0.268 992 E C -0.664 175.760 176.600 -0.293 0.000 1.050 992 E CA -0.858 55.368 56.400 -0.290 0.000 0.878 992 E CB 0.329 29.728 29.700 -0.502 0.000 1.066 992 E HN 0.634 nan 8.360 nan 0.000 0.406 993 H N 0.366 119.429 119.070 -0.012 0.000 3.232 993 H HA 0.057 4.612 4.556 -0.001 0.000 0.276 993 H C -0.377 174.955 175.328 0.007 0.000 0.882 993 H CA 0.558 56.602 56.048 -0.006 0.000 1.415 993 H CB -0.372 29.385 29.762 -0.007 0.000 1.405 993 H HN 0.600 nan 8.280 nan 0.000 0.543 994 T N 0.929 115.501 114.554 0.029 0.000 2.901 994 T HA 0.368 4.717 4.350 -0.001 0.000 0.293 994 T C -0.244 174.503 174.700 0.077 0.000 1.084 994 T CA -1.332 60.800 62.100 0.053 0.000 1.008 994 T CB 1.926 70.798 68.868 0.007 0.000 1.170 994 T HN 0.746 nan 8.240 nan 0.000 0.509 995 Q N 0.595 120.451 119.800 0.092 0.000 2.259 995 Q HA 0.374 4.714 4.340 -0.001 0.000 0.246 995 Q C -0.518 175.510 176.000 0.047 0.000 0.920 995 Q CA -0.841 55.006 55.803 0.072 0.000 0.895 995 Q CB 1.227 30.019 28.738 0.089 0.000 1.220 995 Q HN 0.429 nan 8.270 nan 0.000 0.439 996 K N 1.706 122.120 120.400 0.024 0.000 2.412 996 K HA 0.104 4.424 4.320 -0.001 0.000 0.281 996 K C -1.030 175.572 176.600 0.003 0.000 1.027 996 K CA -0.147 56.144 56.287 0.006 0.000 0.989 996 K CB 0.214 32.707 32.500 -0.012 0.000 0.935 996 K HN 0.318 nan 8.250 nan 0.000 0.475 997 L N 4.109 125.330 121.223 -0.004 0.000 2.265 997 L HA 0.340 4.679 4.340 -0.001 0.000 0.289 997 L C -1.081 175.751 176.870 -0.064 0.000 1.033 997 L CA -0.128 54.701 54.840 -0.019 0.000 0.814 997 L CB 1.012 43.070 42.059 -0.002 0.000 1.203 997 L HN 0.569 nan 8.230 nan 0.000 0.423 998 D N 3.526 123.883 120.400 -0.072 0.000 2.472 998 D HA 0.156 4.796 4.640 -0.001 0.000 0.234 998 D C 1.122 177.329 176.300 -0.156 0.000 1.088 998 D CA -0.270 53.667 54.000 -0.105 0.000 0.882 998 D CB 1.198 41.982 40.800 -0.026 0.000 1.037 998 D HN 0.389 nan 8.370 nan 0.000 0.520 999 V N 1.415 121.140 119.914 -0.316 0.000 2.720 999 V HA -0.186 3.934 4.120 -0.001 0.000 0.256 999 V C 2.115 177.918 176.094 -0.486 0.000 1.082 999 V CA 1.051 62.988 62.300 -0.606 0.000 1.101 999 V CB -1.088 30.091 31.823 -1.073 0.000 0.693 999 V HN 0.611 nan 8.190 nan 0.000 0.479 1000 c N 0.574 119.017 118.600 -0.262 0.000 2.437 1000 c HA 0.024 4.593 4.570 -0.001 0.000 0.283 1000 c C 2.120 176.104 174.090 -0.176 0.000 1.424 1000 c CA 1.226 57.461 56.329 -0.156 0.000 1.782 1000 c CB -1.755 40.650 42.510 -0.175 0.000 1.833 1000 c HN 0.772 nan 8.230 nan 0.000 0.532 1001 H N -0.998 118.056 119.070 -0.027 0.000 2.542 1001 H HA 0.258 4.814 4.556 -0.001 0.000 0.283 1001 H C 1.718 177.084 175.328 0.064 0.000 1.059 1001 H CA -0.015 56.057 56.048 0.040 0.000 1.162 1001 H CB 0.055 29.822 29.762 0.009 0.000 1.539 1001 H HN 0.338 nan 8.280 nan 0.000 0.543 1002 L N -0.226 121.062 121.223 0.108 0.000 2.141 1002 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 1002 L C -0.157 176.862 176.870 0.248 0.000 1.094 1002 L CA 0.668 55.599 54.840 0.152 0.000 0.763 1002 L CB 0.074 42.188 42.059 0.092 0.000 0.908 1002 L HN 0.165 nan 8.230 nan 0.000 0.437 1003 L N -0.317 121.006 121.223 0.166 0.000 2.334 1003 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 1003 L C -2.005 174.911 176.870 0.077 0.000 1.036 1003 L CA -1.937 52.921 54.840 0.030 0.000 0.807 1003 L CB 0.573 42.393 42.059 -0.398 0.000 1.231 1003 L HN -0.237 nan 8.230 nan 0.000 0.438 1004 P HA 0.157 nan 4.420 nan 0.000 0.274 1004 P C -0.667 176.753 177.300 0.200 0.000 1.256 1004 P CA -0.232 62.945 63.100 0.128 0.000 0.795 1004 P CB 0.421 32.174 31.700 0.087 0.000 1.038 1005 N N -2.989 115.812 118.700 0.169 0.000 2.758 1005 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 1005 N C -0.055 175.548 175.510 0.154 0.000 1.076 1005 N CA 0.362 53.500 53.050 0.147 0.000 0.696 1005 N CB -2.100 36.461 38.487 0.123 0.000 0.979 1005 N HN 0.315 nan 8.380 nan 0.000 0.550 1006 V N 0.222 120.187 119.914 0.085 0.000 2.655 1006 V HA 0.325 4.445 4.120 -0.001 0.000 0.300 1006 V C 1.370 177.370 176.094 -0.155 0.000 1.044 1006 V CA 1.130 63.303 62.300 -0.211 0.000 1.095 1006 V CB 1.244 32.837 31.823 -0.383 0.000 0.952 1006 V HN 0.466 nan 8.190 nan 0.000 0.485 1007 A N 6.995 129.696 122.820 -0.197 0.000 2.287 1007 A HA 0.496 4.815 4.320 -0.001 0.000 0.214 1007 A C 0.915 178.461 177.584 -0.063 0.000 1.228 1007 A CA -0.000 51.984 52.037 -0.088 0.000 0.939 1007 A CB 0.260 19.223 19.000 -0.061 0.000 0.992 1007 A HN 0.776 nan 8.150 nan 0.000 0.502 1008 R N -1.732 118.701 120.500 -0.112 0.000 2.634 1008 R HA 0.475 4.814 4.340 -0.001 0.000 0.263 1008 R C -2.339 173.928 176.300 -0.054 0.000 1.060 1008 R CA -0.315 55.780 56.100 -0.009 0.000 0.898 1008 R CB 1.430 31.743 30.300 0.022 0.000 1.253 1008 R HN 0.309 nan 8.270 nan 0.000 0.461 1009 c N 2.706 121.320 118.600 0.023 0.000 2.481 1009 c HA 0.629 5.199 4.570 -0.001 0.000 0.324 1009 c C -1.333 172.833 174.090 0.127 0.000 1.170 1009 c CA -0.237 56.108 56.329 0.027 0.000 1.361 1009 c CB 1.420 43.904 42.510 -0.043 0.000 1.977 1009 c HN 0.809 nan 8.230 nan 0.000 0.459 1010 E N 3.527 123.835 120.200 0.181 0.000 2.272 1010 E HA 0.349 4.698 4.350 -0.001 0.000 0.269 1010 E C -1.058 175.709 176.600 0.278 0.000 0.877 1010 E CA -0.665 55.860 56.400 0.209 0.000 0.755 1010 E CB 2.411 32.205 29.700 0.157 0.000 1.192 1010 E HN 0.688 nan 8.360 nan 0.000 0.422 1011 R N 1.291 121.935 120.500 0.240 0.000 2.390 1011 R HA 0.289 4.629 4.340 -0.001 0.000 0.291 1011 R C -0.200 176.122 176.300 0.037 0.000 1.070 1011 R CA 0.173 56.329 56.100 0.093 0.000 1.014 1011 R CB 0.662 30.987 30.300 0.042 0.000 1.007 1011 R HN 0.653 nan 8.270 nan 0.000 0.466 1012 T N -0.232 114.317 114.554 -0.009 0.000 2.907 1012 T HA 0.354 4.703 4.350 -0.001 0.000 0.290 1012 T C 0.144 174.823 174.700 -0.036 0.000 1.066 1012 T CA -0.767 61.354 62.100 0.035 0.000 1.012 1012 T CB 1.404 70.364 68.868 0.154 0.000 1.184 1012 T HN 0.624 nan 8.240 nan 0.000 0.522 1013 T N 0.157 114.696 114.554 -0.026 0.000 2.795 1013 T HA 0.205 4.554 4.350 -0.001 0.000 0.314 1013 T C 1.582 176.197 174.700 -0.142 0.000 1.069 1013 T CA -0.679 61.383 62.100 -0.064 0.000 1.071 1013 T CB -0.067 68.782 68.868 -0.033 0.000 0.988 1013 T HN 0.566 nan 8.240 nan 0.000 0.543 1014 L N 0.959 122.083 121.223 -0.165 0.000 2.362 1014 L HA -0.014 4.325 4.340 -0.001 0.000 0.219 1014 L C 2.815 179.393 176.870 -0.487 0.000 1.134 1014 L CA 1.314 55.987 54.840 -0.277 0.000 0.807 1014 L CB -1.006 40.974 42.059 -0.132 0.000 0.927 1014 L HN 0.979 nan 8.230 nan 0.000 0.447 1015 T N -4.864 109.508 114.554 -0.304 0.000 3.129 1015 T HA 0.016 4.365 4.350 -0.001 0.000 0.251 1015 T C 0.747 175.344 174.700 -0.171 0.000 1.117 1015 T CA -0.214 61.741 62.100 -0.243 0.000 1.034 1015 T CB -0.150 68.699 68.868 -0.032 0.000 0.968 1015 T HN 0.208 nan 8.240 nan 0.000 0.526 1016 F N -0.893 119.067 119.950 0.017 0.000 2.794 1016 F HA -0.193 4.334 4.527 -0.001 0.000 0.335 1016 F C 1.030 176.829 175.800 -0.002 0.000 0.653 1016 F CA -0.032 57.970 58.000 0.004 0.000 1.266 1016 F CB -2.299 36.699 39.000 -0.003 0.000 1.666 1016 F HN 0.243 nan 8.300 nan 0.000 0.314 1017 L N -0.879 120.415 121.223 0.118 0.000 2.529 1017 L HA 0.099 4.439 4.340 -0.001 0.000 0.223 1017 L C 1.079 177.971 176.870 0.037 0.000 1.113 1017 L CA 0.874 55.756 54.840 0.070 0.000 0.861 1017 L CB 0.167 42.250 42.059 0.040 0.000 1.012 1017 L HN 0.339 nan 8.230 nan 0.000 0.461 1018 Q N 0.453 120.274 119.800 0.036 0.000 2.305 1018 Q HA 0.273 4.612 4.340 -0.001 0.000 0.271 1018 Q C -1.177 174.841 176.000 0.029 0.000 1.046 1018 Q CA -0.719 55.093 55.803 0.016 0.000 0.798 1018 Q CB 1.896 30.630 28.738 -0.008 0.000 1.286 1018 Q HN 0.080 nan 8.270 nan 0.000 0.435 1019 N N 4.476 123.193 118.700 0.027 0.000 2.458 1019 N HA 0.183 4.922 4.740 -0.001 0.000 0.270 1019 N C 0.295 175.823 175.510 0.029 0.000 1.102 1019 N CA 0.205 53.279 53.050 0.040 0.000 0.967 1019 N CB 1.107 39.615 38.487 0.036 0.000 1.078 1019 N HN 0.644 nan 8.380 nan 0.000 0.471 1020 L N 0.530 121.773 121.223 0.035 0.000 2.537 1020 L HA 0.291 4.631 4.340 -0.001 0.000 0.224 1020 L C 0.623 177.520 176.870 0.044 0.000 1.065 1020 L CA 0.443 55.297 54.840 0.023 0.000 0.860 1020 L CB 0.333 42.393 42.059 0.002 0.000 1.086 1020 L HN 0.517 nan 8.230 nan 0.000 0.482 1021 E N -0.434 119.811 120.200 0.075 0.000 2.347 1021 E HA 0.126 4.476 4.350 -0.001 0.000 0.285 1021 E C -1.326 175.368 176.600 0.157 0.000 0.925 1021 E CA -0.540 55.920 56.400 0.100 0.000 0.779 1021 E CB 1.551 31.303 29.700 0.087 0.000 1.233 1021 E HN 0.088 nan 8.360 nan 0.000 0.414 1022 H N 6.042 125.137 119.070 0.042 0.000 2.604 1022 H HA 0.322 4.877 4.556 -0.001 0.000 0.306 1022 H C -0.840 174.513 175.328 0.042 0.000 1.075 1022 H CA -0.482 55.589 56.048 0.038 0.000 1.357 1022 H CB 0.698 30.472 29.762 0.020 0.000 1.426 1022 H HN 0.385 nan 8.280 nan 0.000 0.470 1023 L N 5.322 126.423 121.223 -0.202 0.000 2.275 1023 L HA 0.125 4.465 4.340 -0.001 0.000 0.288 1023 L C 0.070 176.769 176.870 -0.285 0.000 1.046 1023 L CA -0.916 53.827 54.840 -0.162 0.000 0.805 1023 L CB 1.222 43.260 42.059 -0.035 0.000 1.193 1023 L HN 0.651 nan 8.230 nan 0.000 0.426 1024 D N 2.703 122.989 120.400 -0.191 0.000 2.458 1024 D HA 0.159 4.798 4.640 -0.001 0.000 0.243 1024 D C 1.187 177.432 176.300 -0.091 0.000 1.146 1024 D CA 1.097 55.007 54.000 -0.149 0.000 0.877 1024 D CB 1.301 42.051 40.800 -0.084 0.000 1.176 1024 D HN 0.835 nan 8.370 nan 0.000 0.461 1025 G N 2.869 111.628 108.800 -0.068 0.000 2.175 1025 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G C 0.763 175.688 174.900 0.042 0.000 0.979 1025 G CA 0.455 45.549 45.100 -0.010 0.000 0.663 1025 G HN 0.642 nan 8.290 nan 0.000 0.533 1026 M N -2.636 116.950 119.600 -0.024 0.000 2.461 1026 M HA -0.186 4.294 4.480 -0.001 0.000 0.203 1026 M C 0.020 176.337 176.300 0.027 0.000 0.428 1026 M CA 0.881 56.162 55.300 -0.032 0.000 0.509 1026 M CB -1.861 30.698 32.600 -0.068 0.000 1.851 1026 M HN 0.234 nan 8.290 nan 0.000 0.834 1027 V N 0.802 120.721 119.914 0.009 0.000 2.384 1027 V HA 0.726 4.846 4.120 -0.001 0.000 0.287 1027 V C 0.577 176.591 176.094 -0.134 0.000 1.020 1027 V CA -0.371 61.926 62.300 -0.004 0.000 0.850 1027 V CB 1.787 33.604 31.823 -0.009 0.000 0.987 1027 V HN 0.395 nan 8.190 nan 0.000 0.436 1028 A N 8.050 130.708 122.820 -0.270 0.000 2.310 1028 A HA 0.728 5.048 4.320 -0.001 0.000 0.300 1028 A C -2.439 174.866 177.584 -0.464 0.000 1.269 1028 A CA -1.409 50.239 52.037 -0.648 0.000 0.909 1028 A CB 0.042 18.364 19.000 -1.131 0.000 1.144 1028 A HN 0.619 nan 8.150 nan 0.000 0.540 1029 P HA 0.156 nan 4.420 nan 0.000 0.271 1029 P C -0.096 177.186 177.300 -0.030 0.000 1.216 1029 P CA -0.070 62.979 63.100 -0.084 0.000 0.776 1029 P CB 0.533 32.245 31.700 0.021 0.000 0.881 1030 E N 0.269 120.463 120.200 -0.010 0.000 2.408 1030 E HA 0.188 4.537 4.350 -0.001 0.000 0.259 1030 E C 0.234 176.878 176.600 0.073 0.000 1.110 1030 E CA -0.603 55.819 56.400 0.037 0.000 0.929 1030 E CB 0.428 30.134 29.700 0.009 0.000 0.971 1030 E HN 0.305 nan 8.360 nan 0.000 0.438 1031 V N -1.047 118.914 119.914 0.079 0.000 2.973 1031 V HA 0.335 4.455 4.120 -0.001 0.000 0.314 1031 V C 0.189 176.283 176.094 0.000 0.000 1.066 1031 V CA -1.098 61.238 62.300 0.060 0.000 1.021 1031 V CB 1.253 33.118 31.823 0.071 0.000 1.076 1031 V HN 0.741 nan 8.190 nan 0.000 0.462 1032 c N 2.512 121.109 118.600 -0.006 0.000 2.580 1032 c HA 0.435 5.004 4.570 -0.001 0.000 0.371 1032 c C -2.077 171.957 174.090 -0.093 0.000 1.308 1032 c CA -0.321 55.986 56.329 -0.036 0.000 2.428 1032 c CB -0.068 42.439 42.510 -0.006 0.000 2.529 1032 c HN 0.825 nan 8.230 nan 0.000 0.657 1033 P HA 0.048 nan 4.420 nan 0.000 0.265 1033 P C 0.266 177.409 177.300 -0.260 0.000 1.193 1033 P CA 0.902 63.864 63.100 -0.230 0.000 0.765 1033 P CB 0.176 31.720 31.700 -0.259 0.000 0.823 1034 M N -1.168 118.226 119.600 -0.344 0.000 2.939 1034 M HA -0.180 4.299 4.480 -0.001 0.000 0.194 1034 M C -0.148 176.149 176.300 -0.006 0.000 0.617 1034 M CA 1.379 56.462 55.300 -0.363 0.000 0.734 1034 M CB -2.082 29.955 32.600 -0.938 0.000 2.637 1034 M HN 0.412 nan 8.290 nan 0.000 0.316 1035 E N 0.544 120.735 120.200 -0.014 0.000 2.222 1035 E HA 0.692 5.041 4.350 -0.001 0.000 0.272 1035 E C 0.090 176.754 176.600 0.107 0.000 0.982 1035 E CA -0.100 56.372 56.400 0.119 0.000 0.842 1035 E CB 1.415 31.151 29.700 0.060 0.000 1.144 1035 E HN 0.138 nan 8.360 nan 0.000 0.397 1036 T N 0.617 115.257 114.554 0.142 0.000 2.881 1036 T HA 0.680 5.030 4.350 -0.001 0.000 0.290 1036 T C -0.807 173.902 174.700 0.015 0.000 1.000 1036 T CA -0.662 61.525 62.100 0.144 0.000 0.978 1036 T CB 1.570 70.528 68.868 0.150 0.000 0.997 1036 T HN 0.514 nan 8.240 nan 0.000 0.443 1037 A N 1.961 124.796 122.820 0.024 0.000 2.469 1037 A HA 0.997 5.317 4.320 -0.001 0.000 0.299 1037 A C -0.991 176.498 177.584 -0.157 0.000 1.098 1037 A CA -0.946 51.012 52.037 -0.131 0.000 0.737 1037 A CB 1.536 20.421 19.000 -0.193 0.000 1.312 1037 A HN 1.108 nan 8.150 nan 0.000 0.414 1038 A N 0.300 122.930 122.820 -0.317 0.000 2.365 1038 A HA 0.830 5.150 4.320 -0.001 0.000 0.318 1038 A C -1.592 175.811 177.584 -0.303 0.000 1.091 1038 A CA -0.356 51.608 52.037 -0.120 0.000 0.763 1038 A CB 0.782 19.740 19.000 -0.071 0.000 1.248 1038 A HN 0.860 nan 8.150 nan 0.000 0.442 1039 Y N 0.042 120.555 120.300 0.355 0.000 2.512 1039 Y HA 0.571 5.120 4.550 -0.001 0.000 0.348 1039 Y C -0.270 175.804 175.900 0.290 0.000 0.990 1039 Y CA -0.889 57.374 58.100 0.272 0.000 1.033 1039 Y CB 2.498 41.077 38.460 0.197 0.000 1.259 1039 Y HN 0.417 nan 8.280 nan 0.000 0.461 1040 V N 2.421 122.533 119.914 0.330 0.000 2.444 1040 V HA 0.499 4.618 4.120 -0.001 0.000 0.294 1040 V C -0.606 175.572 176.094 0.141 0.000 1.022 1040 V CA -0.914 61.474 62.300 0.146 0.000 0.850 1040 V CB 1.696 33.542 31.823 0.037 0.000 0.992 1040 V HN 0.832 nan 8.190 nan 0.000 0.426 1041 S N 3.477 119.265 115.700 0.147 0.000 2.541 1041 S HA 0.732 5.202 4.470 -0.001 0.000 0.283 1041 S C -0.238 174.288 174.600 -0.123 0.000 1.196 1041 S CA -0.600 57.610 58.200 0.015 0.000 1.062 1041 S CB 1.631 64.919 63.200 0.146 0.000 1.009 1041 S HN 0.561 nan 8.310 nan 0.000 0.502 1042 S N 2.268 117.759 115.700 -0.348 0.000 2.472 1042 S HA 0.547 5.016 4.470 -0.001 0.000 0.303 1042 S C -0.965 173.286 174.600 -0.581 0.000 1.099 1042 S CA -0.771 57.260 58.200 -0.280 0.000 1.077 1042 S CB 0.564 63.686 63.200 -0.130 0.000 1.031 1042 S HN 0.785 nan 8.310 nan 0.000 0.487 1043 H N 0.618 119.679 119.070 -0.015 0.000 2.679 1043 H HA 0.336 4.892 4.556 -0.001 0.000 0.360 1043 H C -0.749 174.577 175.328 -0.004 0.000 1.105 1043 H CA -0.644 55.398 56.048 -0.009 0.000 1.196 1043 H CB 1.671 31.430 29.762 -0.005 0.000 1.636 1043 H HN 0.493 nan 8.280 nan 0.000 0.531 1044 S N 2.125 117.876 115.700 0.086 0.000 2.510 1044 S HA 0.242 4.712 4.470 -0.001 0.000 0.279 1044 S C 0.725 175.366 174.600 0.068 0.000 1.284 1044 S CA -0.397 57.838 58.200 0.058 0.000 1.059 1044 S CB 0.593 63.816 63.200 0.039 0.000 0.901 1044 S HN 0.728 nan 8.310 nan 0.000 0.491 1045 S N 0.000 115.730 115.700 0.050 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.224 58.200 0.041 0.000 1.107 1045 S CB 0.000 63.223 63.200 0.039 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517