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 3bvx_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIAPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.008 176.000 0.014 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 30 Q CB 0.000 28.747 28.738 0.014 0.000 1.108 31 c N 2.253 120.857 118.600 0.007 0.000 2.662 31 c HA 0.379 4.949 4.570 -0.001 0.000 0.420 31 c C 1.082 175.184 174.090 0.020 0.000 1.314 31 c CA -0.147 56.188 56.329 0.010 0.000 1.963 31 c CB 0.409 42.911 42.510 -0.012 0.000 2.686 31 c HN 0.766 nan 8.230 nan 0.000 0.609 32 Q N 1.649 121.476 119.800 0.046 0.000 2.364 32 Q HA 0.060 4.400 4.340 -0.001 0.000 0.267 32 Q C -0.009 176.021 176.000 0.051 0.000 0.999 32 Q CA 0.249 56.094 55.803 0.070 0.000 0.886 32 Q CB 0.539 29.357 28.738 0.134 0.000 1.243 32 Q HN 0.626 nan 8.270 nan 0.000 0.415 33 D N 1.774 122.203 120.400 0.049 0.000 2.339 33 D HA 0.042 4.681 4.640 -0.001 0.000 0.256 33 D C 0.485 176.831 176.300 0.077 0.000 1.214 33 D CA -0.128 53.884 54.000 0.021 0.000 0.877 33 D CB 1.217 42.029 40.800 0.020 0.000 1.111 33 D HN 0.387 nan 8.370 nan 0.000 0.478 34 V N 2.180 122.091 119.914 -0.007 0.000 3.647 34 V HA 0.094 4.213 4.120 -0.001 0.000 0.279 34 V C 1.113 177.253 176.094 0.077 0.000 1.314 34 V CA 0.086 62.444 62.300 0.097 0.000 1.125 34 V CB 0.268 31.971 31.823 -0.200 0.000 0.907 34 V HN 0.381 nan 8.190 nan 0.000 0.434 35 V N -0.041 119.833 119.914 -0.067 0.000 3.013 35 V HA 0.118 4.237 4.120 -0.001 0.000 0.238 35 V C 2.245 178.300 176.094 -0.065 0.000 1.161 35 V CA 1.214 63.421 62.300 -0.154 0.000 1.170 35 V CB 0.086 31.778 31.823 -0.218 0.000 0.917 35 V HN 0.489 nan 8.190 nan 0.000 0.478 36 Q N -0.384 119.438 119.800 0.036 0.000 2.319 36 Q HA 0.146 4.485 4.340 -0.001 0.000 0.209 36 Q C -0.531 175.549 176.000 0.133 0.000 0.884 36 Q CA 0.176 56.017 55.803 0.065 0.000 0.938 36 Q CB 0.729 29.481 28.738 0.024 0.000 1.098 36 Q HN 0.505 nan 8.270 nan 0.000 0.517 37 D N 1.271 121.784 120.400 0.189 0.000 2.414 37 D HA 0.179 4.818 4.640 -0.001 0.000 0.232 37 D C -0.653 175.771 176.300 0.207 0.000 1.070 37 D CA -0.260 53.839 54.000 0.164 0.000 0.839 37 D CB 2.274 43.147 40.800 0.121 0.000 1.079 37 D HN -0.173 nan 8.370 nan 0.000 0.521 38 V N 4.615 124.615 119.914 0.143 0.000 2.439 38 V HA 0.151 4.271 4.120 -0.001 0.000 0.271 38 V C -1.919 174.159 176.094 -0.027 0.000 1.040 38 V CA -1.249 61.061 62.300 0.017 0.000 1.002 38 V CB 0.635 32.472 31.823 0.023 0.000 1.000 38 V HN 0.299 nan 8.190 nan 0.000 0.477 39 P HA 0.075 nan 4.420 nan 0.000 0.269 39 P C -0.444 176.829 177.300 -0.044 0.000 1.209 39 P CA -0.153 62.919 63.100 -0.047 0.000 0.776 39 P CB 0.385 32.039 31.700 -0.078 0.000 0.876 40 N N 2.589 121.277 118.700 -0.019 0.000 2.439 40 N HA 0.315 5.055 4.740 -0.001 0.000 0.249 40 N C -1.178 174.324 175.510 -0.013 0.000 1.003 40 N CA -0.365 52.676 53.050 -0.015 0.000 0.942 40 N CB 0.069 38.556 38.487 -0.000 0.000 1.115 40 N HN 0.112 nan 8.380 nan 0.000 0.505 41 V N 0.461 120.360 119.914 -0.025 0.000 3.001 41 V HA 0.544 4.663 4.120 -0.001 0.000 0.314 41 V C 0.657 176.737 176.094 -0.024 0.000 1.099 41 V CA -0.749 61.539 62.300 -0.020 0.000 0.989 41 V CB 2.060 33.860 31.823 -0.038 0.000 1.040 41 V HN 0.367 nan 8.190 nan 0.000 0.434 42 D N 0.946 121.339 120.400 -0.012 0.000 2.144 42 D HA 0.021 4.660 4.640 -0.001 0.000 0.200 42 D C 0.502 176.772 176.300 -0.051 0.000 0.978 42 D CA 1.610 55.600 54.000 -0.017 0.000 0.833 42 D CB 0.470 41.276 40.800 0.010 0.000 0.961 42 D HN 0.418 nan 8.370 nan 0.000 0.470 43 V N 1.576 121.437 119.914 -0.087 0.000 2.483 43 V HA 0.202 4.322 4.120 -0.001 0.000 0.297 43 V C -0.324 175.674 176.094 -0.160 0.000 1.027 43 V CA -0.736 61.482 62.300 -0.136 0.000 0.855 43 V CB 2.346 34.043 31.823 -0.209 0.000 0.995 43 V HN -0.068 nan 8.190 nan 0.000 0.424 44 Q N 4.590 124.309 119.800 -0.136 0.000 2.341 44 Q HA 0.432 4.772 4.340 -0.001 0.000 0.268 44 Q C 0.402 176.304 176.000 -0.162 0.000 1.013 44 Q CA -0.676 55.038 55.803 -0.148 0.000 0.798 44 Q CB 1.871 30.543 28.738 -0.110 0.000 1.253 44 Q HN 0.668 nan 8.270 nan 0.000 0.457 45 M N 3.090 122.546 119.600 -0.240 0.000 2.213 45 M HA -0.146 4.333 4.480 -0.001 0.000 0.263 45 M C 1.595 177.789 176.300 -0.177 0.000 1.062 45 M CA 0.898 56.044 55.300 -0.257 0.000 1.105 45 M CB -0.763 31.550 32.600 -0.478 0.000 1.385 45 M HN 0.568 nan 8.290 nan 0.000 0.417 46 L N 0.712 121.825 121.223 -0.183 0.000 2.056 46 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 46 L C 2.109 178.969 176.870 -0.016 0.000 1.078 46 L CA 1.836 56.602 54.840 -0.124 0.000 0.749 46 L CB -0.467 41.495 42.059 -0.161 0.000 0.901 46 L HN 0.305 nan 8.230 nan 0.000 0.433 47 E N -0.886 119.291 120.200 -0.038 0.000 2.150 47 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 47 E C 2.074 178.683 176.600 0.016 0.000 0.985 47 E CA 1.135 57.527 56.400 -0.013 0.000 0.814 47 E CB -0.235 29.444 29.700 -0.036 0.000 0.752 47 E HN 0.377 nan 8.360 nan 0.000 0.466 48 L N 0.113 121.347 121.223 0.018 0.000 2.056 48 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 48 L C 1.994 178.932 176.870 0.114 0.000 1.078 48 L CA 1.684 56.543 54.840 0.032 0.000 0.749 48 L CB -0.524 41.542 42.059 0.011 0.000 0.901 48 L HN 0.065 nan 8.230 nan 0.000 0.433 49 Y N 0.094 120.393 120.300 -0.001 0.000 2.207 49 Y HA -0.273 4.277 4.550 -0.001 0.000 0.287 49 Y C 2.545 178.529 175.900 0.140 0.000 1.156 49 Y CA 1.865 60.048 58.100 0.137 0.000 1.182 49 Y CB -0.619 37.920 38.460 0.132 0.000 0.979 49 Y HN 0.384 nan 8.280 nan 0.000 0.521 50 D N -0.323 120.186 120.400 0.182 0.000 2.144 50 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 50 D C 2.152 178.490 176.300 0.064 0.000 0.978 50 D CA 1.372 55.434 54.000 0.103 0.000 0.833 50 D CB -0.075 40.759 40.800 0.058 0.000 0.961 50 D HN 0.454 nan 8.370 nan 0.000 0.470 51 R N -0.856 119.665 120.500 0.035 0.000 2.280 51 R HA 0.179 4.518 4.340 -0.001 0.000 0.195 51 R C 0.726 177.005 176.300 -0.036 0.000 0.935 51 R CA -0.191 55.908 56.100 -0.003 0.000 1.033 51 R CB -0.143 30.148 30.300 -0.016 0.000 0.964 51 R HN 0.107 nan 8.270 nan 0.000 0.489 52 M N 1.596 121.152 119.600 -0.074 0.000 2.238 52 M HA -0.012 4.467 4.480 -0.001 0.000 0.347 52 M C 1.220 177.413 176.300 -0.178 0.000 1.173 52 M CA 0.168 55.331 55.300 -0.227 0.000 1.147 52 M CB 1.637 33.904 32.600 -0.554 0.000 1.547 52 M HN 0.238 nan 8.290 nan 0.000 0.455 53 S N 2.802 118.375 115.700 -0.212 0.000 2.470 53 S HA 0.027 4.497 4.470 -0.001 0.000 0.222 53 S C 0.780 175.432 174.600 0.088 0.000 1.024 53 S CA 0.349 58.525 58.200 -0.040 0.000 0.931 53 S CB -0.117 63.060 63.200 -0.039 0.000 0.791 53 S HN 0.797 nan 8.310 nan 0.000 0.513 54 F N 0.237 120.110 119.950 -0.130 0.000 2.973 54 F HA -0.162 4.365 4.527 -0.001 0.000 0.299 54 F C 0.319 176.127 175.800 0.014 0.000 0.737 54 F CA 0.629 58.563 58.000 -0.109 0.000 1.151 54 F CB -1.808 37.105 39.000 -0.144 0.000 1.440 54 F HN 0.128 nan 8.300 nan 0.000 0.367 55 K N 1.500 121.978 120.400 0.130 0.000 2.401 55 K HA 0.124 4.443 4.320 -0.001 0.000 0.278 55 K C 0.183 176.887 176.600 0.173 0.000 1.018 55 K CA 0.025 56.392 56.287 0.132 0.000 0.981 55 K CB 0.515 33.056 32.500 0.068 0.000 0.933 55 K HN 0.063 nan 8.250 nan 0.000 0.477 56 D N 3.860 124.376 120.400 0.193 0.000 2.518 56 D HA 0.153 4.792 4.640 -0.001 0.000 0.230 56 D C -0.147 176.205 176.300 0.088 0.000 1.138 56 D CA -0.507 53.620 54.000 0.213 0.000 0.964 56 D CB -0.285 40.654 40.800 0.231 0.000 1.011 56 D HN 0.400 nan 8.370 nan 0.000 0.517 57 I N -0.766 119.842 120.570 0.063 0.000 2.437 57 I HA 0.461 4.630 4.170 -0.001 0.000 0.298 57 I C 0.161 176.274 176.117 -0.007 0.000 0.984 57 I CA -0.996 60.317 61.300 0.023 0.000 1.214 57 I CB 1.490 39.501 38.000 0.018 0.000 1.365 57 I HN -0.025 nan 8.210 nan 0.000 0.469 58 D N 4.330 124.723 120.400 -0.011 0.000 2.382 58 D HA 0.142 4.782 4.640 -0.001 0.000 0.259 58 D C 1.036 177.325 176.300 -0.018 0.000 1.224 58 D CA 0.237 54.224 54.000 -0.022 0.000 0.894 58 D CB 1.488 42.282 40.800 -0.010 0.000 1.127 58 D HN 0.828 nan 8.370 nan 0.000 0.487 59 G N 2.359 111.133 108.800 -0.045 0.000 3.042 59 G HA2 0.440 4.399 3.960 -0.001 0.000 0.212 59 G HA3 0.440 4.399 3.960 -0.001 0.000 0.212 59 G C 0.881 175.784 174.900 0.005 0.000 1.166 59 G CA 0.437 45.508 45.100 -0.049 0.000 0.767 59 G HN 0.945 nan 8.290 nan 0.000 0.546 60 G N -0.534 108.275 108.800 0.014 0.000 2.445 60 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.212 60 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.212 60 G C 1.191 176.115 174.900 0.041 0.000 1.217 60 G CA 0.714 45.834 45.100 0.034 0.000 1.002 60 G HN 1.109 nan 8.290 nan 0.000 0.574 61 V N -3.555 116.381 119.914 0.037 0.000 2.392 61 V HA 0.077 4.196 4.120 -0.001 0.000 0.249 61 V C 1.470 177.596 176.094 0.053 0.000 1.059 61 V CA 2.393 64.698 62.300 0.009 0.000 1.051 61 V CB -0.603 31.189 31.823 -0.053 0.000 0.658 61 V HN 1.433 nan 8.190 nan 0.000 0.455 62 W N 2.674 123.883 121.300 -0.151 0.000 2.497 62 W HA 0.407 5.067 4.660 -0.001 0.000 0.354 62 W C 1.175 177.661 176.519 -0.055 0.000 1.111 62 W CA -1.644 55.607 57.345 -0.157 0.000 1.510 62 W CB 0.208 29.538 29.460 -0.217 0.000 1.466 62 W HN 0.060 nan 8.180 nan 0.000 0.409 63 K N 2.798 123.290 120.400 0.154 0.000 2.147 63 K HA -0.161 4.158 4.320 -0.001 0.000 0.205 63 K C 0.841 177.363 176.600 -0.130 0.000 1.049 63 K CA 1.388 57.671 56.287 -0.007 0.000 0.936 63 K CB 0.202 32.692 32.500 -0.016 0.000 0.722 63 K HN 0.563 nan 8.250 nan 0.000 0.446 64 Q N -0.714 118.960 119.800 -0.211 0.000 2.198 64 Q HA 0.148 4.487 4.340 -0.001 0.000 0.209 64 Q C 0.753 176.385 176.000 -0.613 0.000 0.848 64 Q CA -0.374 55.284 55.803 -0.241 0.000 0.974 64 Q CB 1.356 30.098 28.738 0.007 0.000 1.115 64 Q HN 0.205 nan 8.270 nan 0.000 0.494 65 G N 0.615 108.619 108.800 -1.326 0.000 3.407 65 G HA2 0.521 4.480 3.960 -0.001 0.000 0.187 65 G HA3 0.521 4.480 3.960 -0.001 0.000 0.187 65 G C -1.431 173.173 174.900 -0.493 0.000 1.262 65 G CA -0.351 43.661 45.100 -1.813 0.000 0.808 65 G HN 0.346 nan 8.290 nan 0.000 0.687 66 W N -1.347 119.685 121.300 -0.446 0.000 2.988 66 W HA 0.638 5.297 4.660 -0.000 0.000 0.355 66 W C -1.443 175.169 176.519 0.154 0.000 1.233 66 W CA -1.187 56.113 57.345 -0.076 0.000 1.176 66 W CB 0.682 30.109 29.460 -0.055 0.000 1.477 66 W HN 0.188 nan 8.180 nan 0.000 0.582 67 N N 2.193 121.045 118.700 0.253 0.000 2.402 67 N HA 0.202 4.942 4.740 -0.001 0.000 0.259 67 N C -0.291 175.349 175.510 0.216 0.000 1.167 67 N CA 0.060 53.210 53.050 0.166 0.000 0.949 67 N CB 0.230 38.817 38.487 0.166 0.000 1.212 67 N HN 0.411 nan 8.380 nan 0.000 0.493 68 I N 2.134 122.733 120.570 0.050 0.000 2.556 68 I HA 0.001 4.170 4.170 -0.001 0.000 0.284 68 I C 0.772 177.042 176.117 0.255 0.000 1.114 68 I CA 0.288 61.694 61.300 0.177 0.000 1.418 68 I CB 0.473 38.520 38.000 0.078 0.000 1.394 68 I HN 0.127 nan 8.210 nan 0.000 0.552 69 K N 6.194 126.782 120.400 0.313 0.000 2.259 69 K HA 0.608 4.927 4.320 -0.001 0.000 0.249 69 K C -1.307 175.449 176.600 0.260 0.000 0.942 69 K CA -0.685 55.715 56.287 0.189 0.000 0.816 69 K CB 2.162 34.742 32.500 0.133 0.000 1.155 69 K HN 0.481 nan 8.250 nan 0.000 0.428 70 Y N -2.037 118.351 120.300 0.146 0.000 2.581 70 Y HA 0.441 4.990 4.550 -0.001 0.000 0.345 70 Y C -1.076 174.894 175.900 0.116 0.000 1.036 70 Y CA -1.569 56.618 58.100 0.145 0.000 1.042 70 Y CB 1.176 39.741 38.460 0.175 0.000 1.289 70 Y HN 0.406 nan 8.280 nan 0.000 0.471 71 D N 3.593 124.144 120.400 0.251 0.000 2.316 71 D HA 0.280 4.920 4.640 -0.001 0.000 0.245 71 D C -1.709 174.749 176.300 0.265 0.000 1.171 71 D CA -2.751 51.337 54.000 0.146 0.000 0.856 71 D CB 1.628 42.491 40.800 0.104 0.000 1.090 71 D HN 0.419 nan 8.370 nan 0.000 0.476 72 P HA -0.100 nan 4.420 nan 0.000 0.222 72 P C 1.386 178.827 177.300 0.235 0.000 1.147 72 P CA 0.696 63.989 63.100 0.322 0.000 0.790 72 P CB 0.309 32.136 31.700 0.212 0.000 0.780 73 L N -0.614 120.697 121.223 0.146 0.000 2.610 73 L HA 0.061 4.400 4.340 -0.001 0.000 0.232 73 L C 2.623 179.532 176.870 0.066 0.000 1.149 73 L CA 0.478 55.380 54.840 0.103 0.000 0.872 73 L CB -0.705 41.393 42.059 0.066 0.000 0.992 73 L HN -0.020 nan 8.230 nan 0.000 0.447 74 K N 0.426 120.849 120.400 0.037 0.000 2.057 74 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 74 K C -0.076 176.375 176.600 -0.248 0.000 1.049 74 K CA 1.152 57.347 56.287 -0.154 0.000 0.931 74 K CB 0.101 32.434 32.500 -0.278 0.000 0.714 74 K HN 0.072 nan 8.250 nan 0.000 0.440 75 Y N 0.717 121.132 120.300 0.192 0.000 2.361 75 Y HA 0.251 4.801 4.550 -0.000 0.000 0.332 75 Y C 0.021 175.995 175.900 0.124 0.000 1.101 75 Y CA -0.959 57.245 58.100 0.173 0.000 1.137 75 Y CB 1.443 39.959 38.460 0.093 0.000 1.207 75 Y HN 0.288 nan 8.280 nan 0.000 0.463 76 N N -0.711 118.132 118.700 0.238 0.000 3.364 76 N HA 0.510 5.249 4.740 -0.001 0.000 0.294 76 N C 0.000 175.514 175.510 0.007 0.000 1.562 76 N CA -0.421 52.693 53.050 0.107 0.000 0.862 76 N CB 0.305 38.848 38.487 0.094 0.000 1.691 76 N HN 0.449 nan 8.380 nan 0.000 0.572 77 A N -1.247 121.470 122.820 -0.172 0.000 1.978 77 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 77 A C 0.841 178.198 177.584 -0.378 0.000 1.170 77 A CA 1.291 53.128 52.037 -0.333 0.000 0.636 77 A CB -1.064 17.641 19.000 -0.491 0.000 0.810 77 A HN 0.688 nan 8.150 nan 0.000 0.448 78 H N -2.727 116.405 119.070 0.103 0.000 2.529 78 H HA 0.169 4.725 4.556 -0.001 0.000 0.277 78 H C -0.391 175.047 175.328 0.183 0.000 1.004 78 H CA 0.655 56.767 56.048 0.106 0.000 1.167 78 H CB 0.001 29.813 29.762 0.083 0.000 1.445 78 H HN 0.727 nan 8.280 nan 0.000 0.554 79 H N 0.510 119.655 119.070 0.124 0.000 2.809 79 H HA 0.271 4.827 4.556 -0.000 0.000 0.268 79 H C -0.800 174.674 175.328 0.243 0.000 1.403 79 H CA -0.439 55.707 56.048 0.163 0.000 1.564 79 H CB 0.280 30.129 29.762 0.145 0.000 1.834 79 H HN -0.032 nan 8.280 nan 0.000 0.613 80 K N 2.039 122.415 120.400 -0.040 0.000 2.087 80 K HA 0.332 4.651 4.320 -0.001 0.000 0.255 80 K C -0.717 175.705 176.600 -0.297 0.000 0.988 80 K CA -1.274 54.962 56.287 -0.086 0.000 0.915 80 K CB 1.716 34.150 32.500 -0.110 0.000 1.043 80 K HN 0.214 nan 8.250 nan 0.000 0.457 81 L N 2.277 123.188 121.223 -0.519 0.000 2.265 81 L HA 0.219 4.558 4.340 -0.001 0.000 0.288 81 L C -0.633 175.964 176.870 -0.456 0.000 1.058 81 L CA -0.214 54.186 54.840 -0.733 0.000 0.809 81 L CB 0.471 41.921 42.059 -1.016 0.000 1.179 81 L HN 0.324 nan 8.230 nan 0.000 0.429 82 K N 3.948 124.110 120.400 -0.396 0.000 2.227 82 K HA 0.561 4.881 4.320 -0.001 0.000 0.280 82 K C -1.473 174.797 176.600 -0.550 0.000 1.041 82 K CA -0.284 55.734 56.287 -0.449 0.000 0.905 82 K CB 0.963 33.261 32.500 -0.337 0.000 1.068 82 K HN 0.435 nan 8.250 nan 0.000 0.470 83 V N 6.063 125.529 119.914 -0.747 0.000 2.444 83 V HA 0.464 4.583 4.120 -0.001 0.000 0.294 83 V C -0.915 174.629 176.094 -0.917 0.000 1.022 83 V CA -0.713 61.099 62.300 -0.813 0.000 0.850 83 V CB 0.960 32.127 31.823 -1.092 0.000 0.992 83 V HN 0.600 nan 8.190 nan 0.000 0.426 84 F N 3.596 123.295 119.950 -0.419 0.000 2.361 84 F HA 0.504 5.030 4.527 -0.001 0.000 0.364 84 F C 0.178 175.795 175.800 -0.306 0.000 1.117 84 F CA -0.737 57.073 58.000 -0.316 0.000 1.071 84 F CB 1.802 40.684 39.000 -0.197 0.000 1.188 84 F HN 0.195 nan 8.300 nan 0.000 0.464 85 V N 5.219 125.085 119.914 -0.081 0.000 2.385 85 V HA 0.268 4.387 4.120 -0.001 0.000 0.269 85 V C -0.206 175.980 176.094 0.154 0.000 1.043 85 V CA -0.591 61.729 62.300 0.034 0.000 0.906 85 V CB 1.287 33.203 31.823 0.156 0.000 0.995 85 V HN 0.425 nan 8.190 nan 0.000 0.467 86 V N 8.376 128.334 119.914 0.073 0.000 2.284 86 V HA 0.318 4.437 4.120 -0.001 0.000 0.274 86 V C -2.389 173.735 176.094 0.050 0.000 1.023 86 V CA -1.914 60.392 62.300 0.011 0.000 0.808 86 V CB 1.457 33.197 31.823 -0.139 0.000 1.035 86 V HN 0.722 nan 8.190 nan 0.000 0.445 87 P HA 0.345 nan 4.420 nan 0.000 0.271 87 P C -0.865 176.408 177.300 -0.046 0.000 1.216 87 P CA 0.243 63.298 63.100 -0.074 0.000 0.776 87 P CB 0.381 31.842 31.700 -0.399 0.000 0.881 88 H N -1.186 117.856 119.070 -0.048 0.000 2.990 88 H HA 0.789 5.345 4.556 -0.001 0.000 0.336 88 H C -1.508 173.907 175.328 0.145 0.000 1.306 88 H CA -1.109 54.816 56.048 -0.205 0.000 1.118 88 H CB 0.939 30.534 29.762 -0.278 0.000 1.856 88 H HN 0.191 nan 8.280 nan 0.000 0.538 89 S N 0.642 116.340 115.700 -0.004 0.000 2.776 89 S HA 0.209 4.679 4.470 -0.001 0.000 0.284 89 S C -1.834 172.683 174.600 -0.137 0.000 1.160 89 S CA -0.658 57.586 58.200 0.073 0.000 1.051 89 S CB 0.160 63.589 63.200 0.382 0.000 1.037 89 S HN 0.837 nan 8.310 nan 0.000 0.485 90 H N 4.386 123.357 119.070 -0.166 0.000 2.800 90 H HA 0.422 4.977 4.556 -0.001 0.000 0.291 90 H C -0.093 174.847 175.328 -0.647 0.000 1.076 90 H CA 0.290 56.159 56.048 -0.298 0.000 1.452 90 H CB 0.271 29.926 29.762 -0.178 0.000 1.461 90 H HN 0.554 nan 8.280 nan 0.000 0.488 91 N N 5.510 123.562 118.700 -1.081 0.000 2.564 91 N HA 0.051 4.790 4.740 -0.001 0.000 0.248 91 N C -1.160 173.899 175.510 -0.751 0.000 0.986 91 N CA -0.615 51.664 53.050 -1.284 0.000 0.921 91 N CB 1.008 39.018 38.487 -0.795 0.000 1.136 91 N HN 0.658 nan 8.380 nan 0.000 0.509 92 D N 2.651 122.653 120.400 -0.664 0.000 2.371 92 D HA 0.094 4.734 4.640 -0.001 0.000 0.256 92 D C -2.082 174.287 176.300 0.115 0.000 1.193 92 D CA -0.843 53.048 54.000 -0.181 0.000 0.881 92 D CB 1.358 42.337 40.800 0.299 0.000 1.143 92 D HN 0.207 nan 8.370 nan 0.000 0.473 93 P HA 0.217 nan 4.420 nan 0.000 0.230 93 P C -0.037 177.468 177.300 0.343 0.000 1.791 93 P CA -0.084 63.047 63.100 0.053 0.000 1.020 93 P CB 0.288 31.873 31.700 -0.192 0.000 1.977 94 G N 0.696 109.881 108.800 0.642 0.000 2.907 94 G HA2 0.001 3.961 3.960 -0.001 0.000 0.686 94 G HA3 0.001 3.961 3.960 -0.001 0.000 0.686 94 G C -1.047 174.393 174.900 0.900 0.000 1.115 94 G CA -0.563 44.929 45.100 0.655 0.000 0.760 94 G HN 0.370 nan 8.290 nan 0.000 0.620 95 W N 2.078 123.716 121.300 0.564 0.000 4.506 95 W HA 0.240 4.900 4.660 -0.001 0.000 0.159 95 W C 0.818 177.519 176.519 0.304 0.000 3.471 95 W CA 0.928 58.576 57.345 0.505 0.000 1.165 95 W CB -0.795 29.050 29.460 0.642 0.000 2.094 95 W HN 0.565 nan 8.180 nan 0.000 0.385 96 I N 2.169 122.757 120.570 0.030 0.000 3.603 96 I HA 0.170 4.339 4.170 -0.001 0.000 0.297 96 I C 0.221 176.211 176.117 -0.213 0.000 1.269 96 I CA 0.997 62.136 61.300 -0.268 0.000 1.361 96 I CB -1.071 36.705 38.000 -0.375 0.000 1.063 96 I HN -0.016 nan 8.210 nan 0.000 0.448 97 Q N 0.570 120.093 119.800 -0.462 0.000 2.423 97 Q HA 0.356 4.696 4.340 -0.001 0.000 0.278 97 Q C 0.132 175.869 176.000 -0.438 0.000 1.097 97 Q CA -0.357 55.060 55.803 -0.644 0.000 0.809 97 Q CB 2.603 30.538 28.738 -1.338 0.000 1.391 97 Q HN 0.279 nan 8.270 nan 0.000 0.428 98 T N -2.047 112.373 114.554 -0.224 0.000 2.748 98 T HA 0.135 4.485 4.350 -0.001 0.000 0.304 98 T C 1.124 175.926 174.700 0.170 0.000 1.041 98 T CA -0.405 61.655 62.100 -0.068 0.000 1.033 98 T CB 0.284 69.145 68.868 -0.012 0.000 0.995 98 T HN 0.526 nan 8.240 nan 0.000 0.536 99 F N 1.219 121.257 119.950 0.147 0.000 2.063 99 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 99 F C 2.475 178.496 175.800 0.368 0.000 1.109 99 F CA 2.400 60.568 58.000 0.280 0.000 1.212 99 F CB -0.349 38.699 39.000 0.080 0.000 0.973 99 F HN 0.784 nan 8.300 nan 0.000 0.480 100 E N 0.327 120.773 120.200 0.410 0.000 2.152 100 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 100 E C 1.994 178.750 176.600 0.260 0.000 0.983 100 E CA 1.603 58.208 56.400 0.341 0.000 0.818 100 E CB -0.264 29.622 29.700 0.310 0.000 0.758 100 E HN 0.614 nan 8.360 nan 0.000 0.467 101 E N -0.959 119.342 120.200 0.168 0.000 2.051 101 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 101 E C 1.801 178.470 176.600 0.115 0.000 0.991 101 E CA 1.193 57.645 56.400 0.086 0.000 0.799 101 E CB -0.254 29.427 29.700 -0.032 0.000 0.748 101 E HN 0.341 nan 8.360 nan 0.000 0.449 102 Y N -0.449 119.912 120.300 0.101 0.000 2.181 102 Y HA -0.263 4.286 4.550 -0.001 0.000 0.288 102 Y C 2.214 178.131 175.900 0.029 0.000 1.146 102 Y CA 1.259 59.370 58.100 0.019 0.000 1.164 102 Y CB -0.791 37.734 38.460 0.109 0.000 0.982 102 Y HN 0.200 nan 8.280 nan 0.000 0.515 103 Y N 0.859 121.252 120.300 0.155 0.000 2.128 103 Y HA -0.287 4.262 4.550 -0.001 0.000 0.284 103 Y C 2.291 178.220 175.900 0.049 0.000 1.154 103 Y CA 1.939 60.065 58.100 0.042 0.000 1.149 103 Y CB -0.360 38.111 38.460 0.017 0.000 0.976 103 Y HN 0.055 nan 8.280 nan 0.000 0.505 104 Q N -1.009 118.802 119.800 0.019 0.000 2.123 104 Q HA -0.200 4.140 4.340 -0.001 0.000 0.199 104 Q C 2.290 178.306 176.000 0.027 0.000 0.966 104 Q CA 1.779 57.553 55.803 -0.047 0.000 0.845 104 Q CB -0.663 28.146 28.738 0.119 0.000 0.907 104 Q HN 0.685 nan 8.270 nan 0.000 0.439 105 H N -0.396 118.688 119.070 0.024 0.000 2.497 105 H HA 0.003 4.559 4.556 -0.001 0.000 0.282 105 H C 0.435 175.854 175.328 0.151 0.000 1.003 105 H CA 0.934 57.031 56.048 0.081 0.000 1.307 105 H CB 0.912 30.689 29.762 0.023 0.000 1.437 105 H HN 0.189 nan 8.280 nan 0.000 0.544 106 D N -1.391 119.060 120.400 0.085 0.000 3.081 106 D HA 0.014 4.653 4.640 -0.001 0.000 0.243 106 D C 1.692 178.024 176.300 0.053 0.000 1.388 106 D CA 0.355 54.400 54.000 0.075 0.000 1.245 106 D CB 0.194 40.997 40.800 0.005 0.000 1.319 106 D HN 0.137 nan 8.370 nan 0.000 0.377 107 T N 2.418 116.944 114.554 -0.045 0.000 2.867 107 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 107 T C 1.909 176.439 174.700 -0.282 0.000 1.057 107 T CA 1.289 63.330 62.100 -0.099 0.000 1.136 107 T CB -0.016 68.651 68.868 -0.334 0.000 0.874 107 T HN 0.236 nan 8.240 nan 0.000 0.466 108 K N 0.770 120.814 120.400 -0.593 0.000 2.211 108 K HA -0.133 4.187 4.320 -0.001 0.000 0.203 108 K C 1.881 178.206 176.600 -0.457 0.000 1.050 108 K CA 1.327 57.248 56.287 -0.611 0.000 0.945 108 K CB -0.349 31.579 32.500 -0.955 0.000 0.732 108 K HN 0.397 nan 8.250 nan 0.000 0.451 109 H N 1.040 120.011 119.070 -0.166 0.000 2.395 109 H HA 0.057 4.612 4.556 -0.001 0.000 0.299 109 H C 2.288 177.595 175.328 -0.035 0.000 1.070 109 H CA 1.360 57.362 56.048 -0.076 0.000 1.356 109 H CB -0.145 29.578 29.762 -0.065 0.000 1.401 109 H HN 0.183 nan 8.280 nan 0.000 0.524 110 I N 0.787 121.420 120.570 0.106 0.000 2.163 110 I HA -0.276 3.893 4.170 -0.001 0.000 0.243 110 I C 2.432 178.556 176.117 0.013 0.000 1.085 110 I CA 1.151 62.565 61.300 0.191 0.000 1.347 110 I CB -0.241 37.945 38.000 0.310 0.000 1.044 110 I HN 0.102 nan 8.210 nan 0.000 0.408 111 L N -0.480 120.528 121.223 -0.358 0.000 2.109 111 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 111 L C 2.675 179.185 176.870 -0.600 0.000 1.086 111 L CA 0.898 55.283 54.840 -0.759 0.000 0.760 111 L CB -0.442 40.594 42.059 -1.704 0.000 0.910 111 L HN 0.165 nan 8.230 nan 0.000 0.437 112 S N 0.210 115.683 115.700 -0.379 0.000 2.353 112 S HA -0.157 4.313 4.470 -0.001 0.000 0.222 112 S C 1.713 176.268 174.600 -0.074 0.000 1.035 112 S CA 1.498 59.712 58.200 0.025 0.000 1.025 112 S CB -0.292 62.982 63.200 0.124 0.000 0.902 112 S HN 0.450 nan 8.310 nan 0.000 0.440 113 N N 1.610 120.253 118.700 -0.095 0.000 2.270 113 N HA 0.104 4.844 4.740 -0.001 0.000 0.181 113 N C 1.724 176.858 175.510 -0.627 0.000 1.016 113 N CA 1.005 53.917 53.050 -0.229 0.000 0.870 113 N CB -0.590 37.866 38.487 -0.052 0.000 0.979 113 N HN 0.396 nan 8.380 nan 0.000 0.431 114 A N 1.091 123.610 122.820 -0.502 0.000 1.902 114 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 114 A C 2.183 179.479 177.584 -0.479 0.000 1.181 114 A CA 0.998 52.577 52.037 -0.764 0.000 0.623 114 A CB -0.716 18.139 19.000 -0.242 0.000 0.818 114 A HN 0.238 nan 8.150 nan 0.000 0.443 115 L N 0.196 121.283 121.223 -0.226 0.000 2.017 115 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 115 L C 2.474 179.272 176.870 -0.120 0.000 1.073 115 L CA 2.597 57.384 54.840 -0.088 0.000 0.745 115 L CB -0.709 41.365 42.059 0.024 0.000 0.894 115 L HN 0.515 nan 8.230 nan 0.000 0.432 116 R N -1.665 118.733 120.500 -0.170 0.000 2.070 116 R HA -0.252 4.087 4.340 -0.001 0.000 0.233 116 R C 2.409 178.614 176.300 -0.158 0.000 1.137 116 R CA 2.045 58.064 56.100 -0.134 0.000 0.945 116 R CB -0.627 29.599 30.300 -0.123 0.000 0.845 116 R HN 0.558 nan 8.270 nan 0.000 0.430 117 H N 0.205 118.981 119.070 -0.490 0.000 2.357 117 H HA 0.023 4.579 4.556 -0.001 0.000 0.301 117 H C 2.118 177.241 175.328 -0.341 0.000 1.082 117 H CA 1.963 57.721 56.048 -0.484 0.000 1.342 117 H CB -0.059 29.155 29.762 -0.914 0.000 1.389 117 H HN 0.141 nan 8.280 nan 0.000 0.511 118 L N -0.825 120.230 121.223 -0.281 0.000 2.046 118 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 118 L C 2.442 179.269 176.870 -0.070 0.000 1.077 118 L CA 1.732 56.487 54.840 -0.140 0.000 0.747 118 L CB -0.580 41.417 42.059 -0.103 0.000 0.896 118 L HN 0.434 nan 8.230 nan 0.000 0.432 119 H N 0.244 119.237 119.070 -0.129 0.000 2.353 119 H HA -0.210 4.346 4.556 -0.001 0.000 0.298 119 H C 1.645 176.914 175.328 -0.098 0.000 1.103 119 H CA 2.131 58.127 56.048 -0.086 0.000 1.293 119 H CB 0.071 29.790 29.762 -0.072 0.000 1.372 119 H HN 0.233 nan 8.280 nan 0.000 0.501 120 D N -0.425 119.903 120.400 -0.121 0.000 2.347 120 D HA 0.008 4.648 4.640 -0.001 0.000 0.213 120 D C -0.220 175.961 176.300 -0.200 0.000 0.985 120 D CA 0.483 54.376 54.000 -0.178 0.000 0.879 120 D CB 0.088 40.797 40.800 -0.151 0.000 0.919 120 D HN 0.404 nan 8.370 nan 0.000 0.526 121 N N 0.609 119.194 118.700 -0.192 0.000 2.716 121 N HA 0.144 4.883 4.740 -0.001 0.000 0.253 121 N C -2.227 173.250 175.510 -0.056 0.000 1.170 121 N CA -1.038 51.937 53.050 -0.125 0.000 0.807 121 N CB 2.392 40.787 38.487 -0.153 0.000 1.183 121 N HN -0.134 nan 8.380 nan 0.000 0.524 122 P HA -0.085 nan 4.420 nan 0.000 0.221 122 P C 0.912 178.232 177.300 0.034 0.000 1.145 122 P CA 1.174 64.260 63.100 -0.022 0.000 0.795 122 P CB 0.537 32.219 31.700 -0.030 0.000 0.775 123 E N -1.674 118.576 120.200 0.083 0.000 2.447 123 E HA 0.054 4.404 4.350 -0.001 0.000 0.195 123 E C 0.815 177.548 176.600 0.222 0.000 1.028 123 E CA 0.069 56.566 56.400 0.161 0.000 0.876 123 E CB -0.293 29.534 29.700 0.212 0.000 0.885 123 E HN 0.257 nan 8.360 nan 0.000 0.500 124 M N 1.629 121.298 119.600 0.114 0.000 2.243 124 M HA 0.095 4.574 4.480 -0.001 0.000 0.341 124 M C -0.306 175.980 176.300 -0.023 0.000 1.130 124 M CA 0.268 55.537 55.300 -0.051 0.000 1.162 124 M CB 0.490 33.062 32.600 -0.045 0.000 1.497 124 M HN -0.344 nan 8.290 nan 0.000 0.456 125 K N 2.990 123.338 120.400 -0.087 0.000 2.444 125 K HA 0.650 4.969 4.320 -0.001 0.000 0.252 125 K C -1.746 174.889 176.600 0.059 0.000 0.993 125 K CA -0.543 55.752 56.287 0.013 0.000 0.847 125 K CB 2.273 34.804 32.500 0.051 0.000 1.340 125 K HN 0.661 nan 8.250 nan 0.000 0.446 126 F N 1.508 121.375 119.950 -0.138 0.000 2.654 126 F HA 0.426 4.952 4.527 -0.001 0.000 0.314 126 F C -1.464 174.230 175.800 -0.175 0.000 1.116 126 F CA -1.240 56.661 58.000 -0.164 0.000 1.017 126 F CB 1.026 40.012 39.000 -0.023 0.000 1.285 126 F HN 0.454 nan 8.300 nan 0.000 0.448 127 I N 1.874 122.102 120.570 -0.571 0.000 2.648 127 I HA 0.603 4.772 4.170 -0.001 0.000 0.304 127 I C -1.693 173.999 176.117 -0.708 0.000 1.009 127 I CA -0.612 60.325 61.300 -0.606 0.000 1.114 127 I CB 2.496 40.078 38.000 -0.696 0.000 1.293 127 I HN 0.696 nan 8.210 nan 0.000 0.449 128 W N 4.588 125.500 121.300 -0.646 0.000 2.957 128 W HA 0.634 5.294 4.660 -0.001 0.000 0.336 128 W C -0.763 175.675 176.519 -0.134 0.000 1.087 128 W CA -0.555 56.540 57.345 -0.416 0.000 1.235 128 W CB 2.664 31.927 29.460 -0.329 0.000 1.399 128 W HN 0.786 nan 8.180 nan 0.000 0.480 129 A N 3.465 125.929 122.820 -0.592 0.000 2.013 129 A HA 0.168 4.487 4.320 -0.001 0.000 0.204 129 A C -0.056 177.489 177.584 -0.066 0.000 1.262 129 A CA 0.463 52.393 52.037 -0.179 0.000 0.800 129 A CB 0.040 18.978 19.000 -0.103 0.000 0.909 129 A HN 0.507 nan 8.150 nan 0.000 0.472 130 E N 0.927 120.979 120.200 -0.246 0.000 2.001 130 E HA 0.321 4.671 4.350 -0.001 0.000 0.279 130 E C 0.405 177.176 176.600 0.284 0.000 1.045 130 E CA -0.292 56.127 56.400 0.032 0.000 0.833 130 E CB 0.845 30.548 29.700 0.005 0.000 1.077 130 E HN 0.261 nan 8.360 nan 0.000 0.397 131 I N 1.594 122.229 120.570 0.108 0.000 2.761 131 I HA -0.183 3.987 4.170 -0.001 0.000 0.261 131 I C 1.971 177.756 176.117 -0.554 0.000 1.198 131 I CA 0.880 62.173 61.300 -0.011 0.000 1.482 131 I CB -1.334 36.706 38.000 0.066 0.000 1.100 131 I HN 0.425 nan 8.210 nan 0.000 0.445 132 S N 0.774 115.843 115.700 -1.053 0.000 2.374 132 S HA -0.262 4.208 4.470 -0.001 0.000 0.227 132 S C 2.181 176.479 174.600 -0.504 0.000 1.037 132 S CA 1.315 58.508 58.200 -1.678 0.000 1.024 132 S CB -1.111 61.126 63.200 -1.606 0.000 0.861 132 S HN 0.480 nan 8.310 nan 0.000 0.456 133 Y N 0.002 120.323 120.300 0.035 0.000 2.220 133 Y HA 0.082 4.631 4.550 -0.001 0.000 0.291 133 Y C 2.266 178.234 175.900 0.113 0.000 1.129 133 Y CA 0.973 59.191 58.100 0.198 0.000 1.161 133 Y CB -0.375 38.301 38.460 0.360 0.000 0.997 133 Y HN 0.302 nan 8.280 nan 0.000 0.522 134 F N 0.188 120.227 119.950 0.148 0.000 2.134 134 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 134 F C 2.332 177.994 175.800 -0.231 0.000 1.097 134 F CA 1.195 59.168 58.000 -0.044 0.000 1.264 134 F CB -0.370 38.599 39.000 -0.051 0.000 1.001 134 F HN -0.019 nan 8.300 nan 0.000 0.479 135 A N 0.146 122.642 122.820 -0.541 0.000 1.933 135 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 135 A C 2.163 179.618 177.584 -0.216 0.000 1.175 135 A CA 1.613 53.130 52.037 -0.868 0.000 0.628 135 A CB -0.675 17.622 19.000 -1.171 0.000 0.814 135 A HN 0.325 nan 8.150 nan 0.000 0.444 136 R N -0.602 119.811 120.500 -0.146 0.000 2.081 136 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 136 R C 1.694 177.961 176.300 -0.055 0.000 1.131 136 R CA 1.887 57.925 56.100 -0.104 0.000 0.960 136 R CB -1.334 28.851 30.300 -0.191 0.000 0.856 136 R HN 0.492 nan 8.270 nan 0.000 0.436 137 F N -0.001 119.881 119.950 -0.113 0.000 2.113 137 F HA -0.145 4.382 4.527 -0.001 0.000 0.297 137 F C 2.029 177.778 175.800 -0.084 0.000 1.103 137 F CA 1.620 59.611 58.000 -0.016 0.000 1.248 137 F CB -0.910 38.007 39.000 -0.139 0.000 0.999 137 F HN 0.125 nan 8.300 nan 0.000 0.475 138 Y N 0.325 120.475 120.300 -0.251 0.000 2.030 138 Y HA -0.367 4.183 4.550 -0.001 0.000 0.274 138 Y C 2.781 178.599 175.900 -0.137 0.000 1.153 138 Y CA 2.522 60.510 58.100 -0.186 0.000 1.115 138 Y CB -1.249 37.331 38.460 0.200 0.000 0.969 138 Y HN 0.269 nan 8.280 nan 0.000 0.488 139 H N -0.341 118.773 119.070 0.073 0.000 2.518 139 H HA -0.138 4.418 4.556 -0.001 0.000 0.294 139 H C 1.155 176.398 175.328 -0.142 0.000 1.083 139 H CA 2.025 58.063 56.048 -0.016 0.000 1.264 139 H CB -0.315 29.485 29.762 0.064 0.000 1.370 139 H HN 0.405 nan 8.280 nan 0.000 0.560 140 D N -0.700 119.547 120.400 -0.254 0.000 2.360 140 D HA 0.088 4.727 4.640 -0.001 0.000 0.210 140 D C 0.152 176.219 176.300 -0.388 0.000 1.047 140 D CA 0.014 53.843 54.000 -0.286 0.000 0.854 140 D CB 0.187 40.899 40.800 -0.147 0.000 0.936 140 D HN 0.317 nan 8.370 nan 0.000 0.514 141 L N 0.733 121.635 121.223 -0.534 0.000 2.426 141 L HA 0.295 4.635 4.340 -0.001 0.000 0.271 141 L C 1.404 178.046 176.870 -0.381 0.000 1.169 141 L CA -0.495 54.041 54.840 -0.507 0.000 0.836 141 L CB 0.746 42.453 42.059 -0.587 0.000 1.112 141 L HN -0.034 nan 8.230 nan 0.000 0.465 142 G N 0.878 109.513 108.800 -0.275 0.000 2.606 142 G HA2 0.042 4.001 3.960 -0.001 0.000 0.252 142 G HA3 0.042 4.001 3.960 -0.001 0.000 0.252 142 G C 0.638 175.420 174.900 -0.196 0.000 1.206 142 G CA -0.311 44.667 45.100 -0.203 0.000 0.861 142 G HN 0.785 nan 8.290 nan 0.000 0.561 143 E N 0.209 120.324 120.200 -0.142 0.000 2.118 143 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 143 E C 2.308 178.858 176.600 -0.082 0.000 0.992 143 E CA 1.604 57.940 56.400 -0.106 0.000 0.804 143 E CB -0.118 29.546 29.700 -0.061 0.000 0.741 143 E HN 0.619 nan 8.360 nan 0.000 0.458 144 N N 0.340 118.994 118.700 -0.077 0.000 2.104 144 N HA -0.212 4.527 4.740 -0.001 0.000 0.190 144 N C 1.382 176.849 175.510 -0.072 0.000 1.024 144 N CA 1.396 54.409 53.050 -0.062 0.000 0.853 144 N CB -0.050 38.399 38.487 -0.064 0.000 1.008 144 N HN 0.016 nan 8.380 nan 0.000 0.424 145 K N 1.071 121.408 120.400 -0.104 0.000 2.155 145 K HA 0.006 4.326 4.320 -0.001 0.000 0.203 145 K C 2.072 178.628 176.600 -0.073 0.000 1.052 145 K CA 0.613 56.839 56.287 -0.102 0.000 0.948 145 K CB -0.177 32.240 32.500 -0.139 0.000 0.728 145 K HN 0.376 nan 8.250 nan 0.000 0.448 146 K N 0.816 121.136 120.400 -0.134 0.000 2.032 146 K HA -0.074 4.245 4.320 -0.001 0.000 0.209 146 K C 2.263 178.921 176.600 0.096 0.000 1.048 146 K CA 1.087 57.321 56.287 -0.088 0.000 0.927 146 K CB -0.205 32.157 32.500 -0.229 0.000 0.712 146 K HN 0.046 nan 8.250 nan 0.000 0.441 147 L N 1.079 122.335 121.223 0.054 0.000 2.056 147 L HA -0.213 4.127 4.340 -0.001 0.000 0.207 147 L C 2.588 179.515 176.870 0.095 0.000 1.078 147 L CA 1.245 56.136 54.840 0.085 0.000 0.749 147 L CB -0.380 41.706 42.059 0.046 0.000 0.901 147 L HN 0.273 nan 8.230 nan 0.000 0.433 148 Q N -0.847 118.986 119.800 0.055 0.000 2.096 148 Q HA -0.282 4.057 4.340 -0.001 0.000 0.204 148 Q C 2.200 178.278 176.000 0.130 0.000 0.982 148 Q CA 1.844 57.683 55.803 0.060 0.000 0.850 148 Q CB -0.196 28.509 28.738 -0.055 0.000 0.901 148 Q HN 0.374 nan 8.270 nan 0.000 0.422 149 M N 1.075 120.778 119.600 0.171 0.000 2.132 149 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 149 M C 1.600 178.080 176.300 0.301 0.000 1.065 149 M CA 1.746 57.215 55.300 0.281 0.000 1.122 149 M CB 0.052 32.896 32.600 0.406 0.000 1.365 149 M HN -0.103 nan 8.290 nan 0.000 0.411 150 K N -0.982 119.592 120.400 0.291 0.000 2.152 150 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 150 K C 2.269 178.975 176.600 0.176 0.000 1.048 150 K CA 1.541 57.979 56.287 0.251 0.000 0.933 150 K CB -0.411 32.222 32.500 0.221 0.000 0.721 150 K HN 0.404 nan 8.250 nan 0.000 0.447 151 S N 1.504 117.295 115.700 0.151 0.000 2.368 151 S HA -0.086 4.384 4.470 -0.001 0.000 0.224 151 S C 1.935 176.600 174.600 0.108 0.000 1.029 151 S CA 1.049 59.319 58.200 0.117 0.000 0.988 151 S CB -0.229 63.039 63.200 0.115 0.000 0.838 151 S HN 0.396 nan 8.310 nan 0.000 0.462 152 I N -0.802 119.842 120.570 0.124 0.000 2.830 152 I HA 0.041 4.211 4.170 -0.001 0.000 0.263 152 I C 1.809 177.970 176.117 0.073 0.000 1.230 152 I CA 0.681 62.035 61.300 0.091 0.000 1.480 152 I CB -0.351 37.703 38.000 0.091 0.000 1.095 152 I HN 0.097 nan 8.210 nan 0.000 0.455 153 V N 1.575 121.554 119.914 0.108 0.000 2.346 153 V HA -0.186 3.933 4.120 -0.001 0.000 0.244 153 V C 2.692 178.833 176.094 0.077 0.000 1.037 153 V CA 1.994 64.349 62.300 0.092 0.000 1.029 153 V CB -0.698 31.249 31.823 0.207 0.000 0.663 153 V HN 0.426 nan 8.190 nan 0.000 0.454 154 K N 0.417 120.870 120.400 0.089 0.000 2.147 154 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 154 K C 1.496 178.121 176.600 0.042 0.000 1.049 154 K CA 1.505 57.830 56.287 0.063 0.000 0.936 154 K CB -0.071 32.468 32.500 0.065 0.000 0.722 154 K HN 0.450 nan 8.250 nan 0.000 0.446 155 N N -0.554 118.170 118.700 0.040 0.000 2.270 155 N HA 0.042 4.782 4.740 -0.001 0.000 0.198 155 N C 0.501 176.021 175.510 0.016 0.000 1.117 155 N CA 0.898 53.963 53.050 0.026 0.000 0.845 155 N CB 1.320 39.822 38.487 0.026 0.000 0.980 155 N HN 0.428 nan 8.380 nan 0.000 0.486 156 G N 1.198 110.005 108.800 0.012 0.000 2.157 156 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.248 156 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.248 156 G C 0.878 175.771 174.900 -0.011 0.000 0.979 156 G CA 0.213 45.310 45.100 -0.005 0.000 0.650 156 G HN 0.360 nan 8.290 nan 0.000 0.529 157 Q N -1.336 118.465 119.800 0.001 0.000 2.062 157 Q HA 0.218 4.558 4.340 -0.001 0.000 0.196 157 Q C 1.115 177.113 176.000 -0.003 0.000 0.967 157 Q CA 1.020 56.828 55.803 0.008 0.000 0.832 157 Q CB 0.169 28.918 28.738 0.017 0.000 0.899 157 Q HN 0.557 nan 8.270 nan 0.000 0.442 158 L N 1.348 122.553 121.223 -0.030 0.000 2.265 158 L HA 0.296 4.635 4.340 -0.001 0.000 0.289 158 L C -0.946 175.757 176.870 -0.279 0.000 1.033 158 L CA -0.064 54.713 54.840 -0.105 0.000 0.814 158 L CB 1.393 43.406 42.059 -0.077 0.000 1.203 158 L HN -0.049 nan 8.230 nan 0.000 0.423 159 E N 4.484 124.484 120.200 -0.333 0.000 2.176 159 E HA 0.349 4.698 4.350 -0.001 0.000 0.267 159 E C -1.391 174.951 176.600 -0.429 0.000 0.893 159 E CA -0.704 55.506 56.400 -0.318 0.000 0.761 159 E CB 0.943 30.536 29.700 -0.180 0.000 1.133 159 E HN 0.532 nan 8.360 nan 0.000 0.409 160 F N 3.175 123.088 119.950 -0.062 0.000 2.412 160 F HA 0.218 4.745 4.527 -0.001 0.000 0.348 160 F C 0.305 176.082 175.800 -0.038 0.000 1.102 160 F CA -0.537 57.439 58.000 -0.039 0.000 1.196 160 F CB 1.199 40.187 39.000 -0.019 0.000 1.144 160 F HN 0.192 nan 8.300 nan 0.000 0.541 161 V N -0.080 119.907 119.914 0.122 0.000 2.495 161 V HA 0.613 4.732 4.120 -0.001 0.000 0.298 161 V C 0.168 176.397 176.094 0.225 0.000 1.031 161 V CA -0.524 61.842 62.300 0.110 0.000 0.871 161 V CB 0.872 32.652 31.823 -0.071 0.000 0.988 161 V HN 0.999 nan 8.190 nan 0.000 0.432 162 T N 3.260 118.021 114.554 0.346 0.000 12.940 162 T HA -0.305 4.045 4.350 -0.001 0.000 0.419 162 T C 1.753 176.685 174.700 0.387 0.000 1.444 162 T CA 2.841 65.190 62.100 0.415 0.000 2.373 162 T CB -1.690 67.321 68.868 0.238 0.000 2.821 162 T HN 2.782 nan 8.240 nan 0.000 0.696 163 G N 1.859 110.826 108.800 0.278 0.000 2.136 163 G HA2 0.111 4.071 3.960 -0.001 0.000 0.242 163 G HA3 0.111 4.071 3.960 -0.001 0.000 0.242 163 G C 0.331 175.374 174.900 0.238 0.000 0.989 163 G CA 0.582 45.822 45.100 0.232 0.000 0.682 163 G HN 1.582 nan 8.290 nan 0.000 0.522 164 G N -1.546 107.392 108.800 0.231 0.000 2.606 164 G HA2 0.342 4.301 3.960 -0.001 0.000 0.252 164 G HA3 0.342 4.301 3.960 -0.001 0.000 0.252 164 G C 0.992 176.066 174.900 0.289 0.000 1.206 164 G CA 0.222 45.467 45.100 0.241 0.000 0.861 164 G HN 0.354 nan 8.290 nan 0.000 0.561 165 W N 0.468 121.810 121.300 0.071 0.000 2.342 165 W HA -0.036 4.624 4.660 -0.001 0.000 0.297 165 W C 0.691 177.240 176.519 0.050 0.000 1.213 165 W CA 1.858 59.229 57.345 0.044 0.000 1.251 165 W CB 0.243 29.710 29.460 0.012 0.000 1.136 165 W HN 0.408 nan 8.180 nan 0.000 0.526 166 V N -2.752 117.279 119.914 0.195 0.000 3.156 166 V HA 0.492 4.612 4.120 -0.001 0.000 0.310 166 V C -0.443 175.739 176.094 0.146 0.000 1.234 166 V CA -1.292 61.071 62.300 0.103 0.000 1.065 166 V CB 1.732 33.636 31.823 0.135 0.000 1.088 166 V HN -0.058 nan 8.190 nan 0.000 0.451 167 M N 3.958 123.672 119.600 0.190 0.000 2.152 167 M HA 0.512 4.991 4.480 -0.001 0.000 0.354 167 M C -2.685 173.778 176.300 0.272 0.000 1.173 167 M CA -1.860 53.573 55.300 0.221 0.000 1.110 167 M CB 1.353 34.108 32.600 0.258 0.000 1.366 167 M HN 0.634 nan 8.290 nan 0.000 0.415 168 P HA 0.132 nan 4.420 nan 0.000 0.276 168 P C -0.945 176.369 177.300 0.023 0.000 1.244 168 P CA -0.208 62.944 63.100 0.088 0.000 0.801 168 P CB 0.555 32.293 31.700 0.063 0.000 1.006 169 D N 0.634 121.004 120.400 -0.049 0.000 2.478 169 D HA -0.090 4.549 4.640 -0.001 0.000 0.234 169 D C 0.732 177.045 176.300 0.020 0.000 1.154 169 D CA 0.756 54.708 54.000 -0.080 0.000 0.874 169 D CB 0.447 41.209 40.800 -0.064 0.000 1.198 169 D HN 0.310 nan 8.370 nan 0.000 0.455 170 E N 1.458 121.715 120.200 0.095 0.000 2.511 170 E HA 0.179 4.529 4.350 -0.001 0.000 0.209 170 E C 0.964 177.739 176.600 0.292 0.000 0.986 170 E CA 0.081 56.605 56.400 0.207 0.000 0.974 170 E CB 0.625 30.466 29.700 0.235 0.000 1.030 170 E HN 0.473 nan 8.360 nan 0.000 0.490 171 A N 1.524 124.467 122.820 0.205 0.000 1.887 171 A HA 0.014 4.333 4.320 -0.001 0.000 0.210 171 A C 1.830 179.303 177.584 -0.185 0.000 1.221 171 A CA 0.624 52.549 52.037 -0.186 0.000 0.635 171 A CB 0.016 18.883 19.000 -0.221 0.000 0.881 171 A HN 0.032 nan 8.150 nan 0.000 0.456 172 N N 0.624 119.303 118.700 -0.035 0.000 2.356 172 N HA 0.010 4.749 4.740 -0.001 0.000 0.178 172 N C 0.469 175.968 175.510 -0.018 0.000 1.075 172 N CA 0.756 53.780 53.050 -0.043 0.000 0.889 172 N CB 0.059 38.566 38.487 0.032 0.000 0.999 172 N HN 0.502 nan 8.380 nan 0.000 0.464 173 S N 0.774 116.474 115.700 -0.001 0.000 2.562 173 S HA 0.031 4.500 4.470 -0.001 0.000 0.281 173 S C 0.028 174.641 174.600 0.021 0.000 1.333 173 S CA -0.565 57.646 58.200 0.019 0.000 1.052 173 S CB 1.122 64.335 63.200 0.022 0.000 0.884 173 S HN 0.208 nan 8.310 nan 0.000 0.506 174 H N 3.412 122.458 119.070 -0.040 0.000 2.582 174 H HA 0.051 4.606 4.556 -0.001 0.000 0.345 174 H C 1.247 176.543 175.328 -0.052 0.000 1.104 174 H CA -0.268 55.743 56.048 -0.063 0.000 1.390 174 H CB 0.553 30.227 29.762 -0.145 0.000 1.461 174 H HN 1.027 nan 8.280 nan 0.000 0.551 175 W N 5.722 126.921 121.300 -0.169 0.000 2.350 175 W HA -0.161 4.499 4.660 -0.001 0.000 0.289 175 W C 1.128 177.714 176.519 0.111 0.000 1.215 175 W CA 0.377 57.701 57.345 -0.035 0.000 1.236 175 W CB -0.489 28.887 29.460 -0.140 0.000 1.130 175 W HN 0.536 nan 8.180 nan 0.000 0.541 176 R N 0.812 120.924 120.500 -0.648 0.000 2.096 176 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 176 R C 2.011 178.144 176.300 -0.280 0.000 1.127 176 R CA 1.920 57.551 56.100 -0.783 0.000 0.968 176 R CB -0.416 29.363 30.300 -0.868 0.000 0.861 176 R HN 0.156 nan 8.270 nan 0.000 0.440 177 N N -0.161 118.458 118.700 -0.135 0.000 2.376 177 N HA -0.058 4.682 4.740 -0.001 0.000 0.177 177 N C 1.760 177.270 175.510 0.001 0.000 1.024 177 N CA 0.716 53.730 53.050 -0.061 0.000 0.893 177 N CB -0.042 38.429 38.487 -0.026 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.544 121.483 119.914 0.042 0.000 2.287 178 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 178 V C 2.351 178.488 176.094 0.071 0.000 1.053 178 V CA 1.147 63.490 62.300 0.072 0.000 1.027 178 V CB -0.514 31.371 31.823 0.104 0.000 0.646 178 V HN 0.195 nan 8.190 nan 0.000 0.447 179 L N -0.356 120.919 121.223 0.088 0.000 2.083 179 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 179 L C 2.169 179.048 176.870 0.013 0.000 1.083 179 L CA 1.777 56.660 54.840 0.072 0.000 0.752 179 L CB -0.660 41.477 42.059 0.130 0.000 0.899 179 L HN 0.287 nan 8.230 nan 0.000 0.433 180 L N -0.117 121.091 121.223 -0.024 0.000 2.012 180 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 180 L C 2.576 179.433 176.870 -0.023 0.000 1.073 180 L CA 2.330 57.144 54.840 -0.043 0.000 0.748 180 L CB -0.730 41.284 42.059 -0.075 0.000 0.891 180 L HN 0.674 nan 8.230 nan 0.000 0.431 181 Q N -1.093 118.716 119.800 0.016 0.000 2.172 181 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 181 Q C 2.031 178.111 176.000 0.133 0.000 0.964 181 Q CA 1.941 57.788 55.803 0.073 0.000 0.855 181 Q CB -1.135 27.684 28.738 0.135 0.000 0.918 181 Q HN 0.454 nan 8.270 nan 0.000 0.444 182 L N 0.930 122.217 121.223 0.107 0.000 2.017 182 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 182 L C 1.934 178.881 176.870 0.129 0.000 1.073 182 L CA 2.467 57.384 54.840 0.129 0.000 0.745 182 L CB -1.021 41.092 42.059 0.090 0.000 0.894 182 L HN 0.342 nan 8.230 nan 0.000 0.432 183 T N -1.028 113.568 114.554 0.071 0.000 2.821 183 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 183 T C 1.720 176.465 174.700 0.075 0.000 1.046 183 T CA 1.407 63.541 62.100 0.057 0.000 1.139 183 T CB -0.149 68.723 68.868 0.006 0.000 0.871 183 T HN 0.349 nan 8.240 nan 0.000 0.454 184 E N 1.009 121.227 120.200 0.030 0.000 2.051 184 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 184 E C 2.344 179.052 176.600 0.180 0.000 0.991 184 E CA 1.512 57.882 56.400 -0.049 0.000 0.799 184 E CB -0.830 28.654 29.700 -0.360 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.138 108.870 108.800 0.346 0.000 2.402 185 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G C 1.494 176.605 174.900 0.352 0.000 1.162 185 G CA 0.631 46.023 45.100 0.488 0.000 0.777 185 G HN 0.257 nan 8.290 nan 0.000 0.539 186 Q N -0.176 119.768 119.800 0.241 0.000 2.230 186 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 186 Q C 2.771 178.862 176.000 0.151 0.000 0.963 186 Q CA 1.326 57.233 55.803 0.173 0.000 0.866 186 Q CB -0.147 28.676 28.738 0.143 0.000 0.931 186 Q HN 0.404 nan 8.270 nan 0.000 0.452 187 T N 0.176 114.827 114.554 0.163 0.000 2.777 187 T HA -0.184 4.165 4.350 -0.001 0.000 0.266 187 T C 1.079 175.863 174.700 0.140 0.000 1.040 187 T CA 1.051 63.220 62.100 0.114 0.000 1.141 187 T CB -0.347 68.584 68.868 0.104 0.000 0.868 187 T HN 0.476 nan 8.240 nan 0.000 0.444 188 W N 1.568 122.943 121.300 0.125 0.000 2.355 188 W HA -0.055 4.604 4.660 -0.001 0.000 0.309 188 W C 1.805 178.419 176.519 0.159 0.000 1.206 188 W CA 0.949 58.441 57.345 0.245 0.000 1.284 188 W CB -0.438 29.230 29.460 0.347 0.000 1.145 188 W HN 0.137 nan 8.180 nan 0.000 0.502 189 L N 0.671 122.100 121.223 0.343 0.000 2.083 189 L HA -0.234 4.105 4.340 -0.001 0.000 0.209 189 L C 2.472 179.270 176.870 -0.120 0.000 1.083 189 L CA 1.652 56.522 54.840 0.049 0.000 0.752 189 L CB -0.917 41.111 42.059 -0.052 0.000 0.899 189 L HN -0.065 nan 8.230 nan 0.000 0.433 190 K N 0.323 120.671 120.400 -0.086 0.000 2.097 190 K HA -0.218 4.101 4.320 -0.001 0.000 0.205 190 K C 2.099 178.556 176.600 -0.238 0.000 1.050 190 K CA 1.471 57.683 56.287 -0.125 0.000 0.938 190 K CB -0.166 32.290 32.500 -0.074 0.000 0.718 190 K HN 0.242 nan 8.250 nan 0.000 0.442 191 Q N -1.371 118.205 119.800 -0.374 0.000 2.046 191 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 191 Q C 1.453 176.951 176.000 -0.835 0.000 0.975 191 Q CA 1.791 57.202 55.803 -0.653 0.000 0.836 191 Q CB -0.044 28.143 28.738 -0.919 0.000 0.896 191 Q HN 0.387 nan 8.270 nan 0.000 0.428 192 F N -1.402 118.155 119.950 -0.654 0.000 2.505 192 F HA 0.115 4.642 4.527 -0.001 0.000 0.289 192 F C 1.631 177.145 175.800 -0.476 0.000 1.101 192 F CA 0.101 57.646 58.000 -0.759 0.000 1.446 192 F CB 0.478 38.528 39.000 -1.583 0.000 1.123 192 F HN 0.094 nan 8.300 nan 0.000 0.564 193 M N -0.936 118.525 119.600 -0.231 0.000 2.306 193 M HA 0.235 4.714 4.480 -0.001 0.000 0.292 193 M C 0.186 176.476 176.300 -0.017 0.000 1.018 193 M CA 0.154 55.433 55.300 -0.036 0.000 1.007 193 M CB -0.946 31.675 32.600 0.035 0.000 1.510 193 M HN 0.075 nan 8.290 nan 0.000 0.537 194 N N 2.167 120.818 118.700 -0.082 0.000 2.727 194 N HA -0.133 4.607 4.740 -0.001 0.000 0.249 194 N C -1.009 174.488 175.510 -0.022 0.000 1.048 194 N CA 0.706 53.721 53.050 -0.059 0.000 0.714 194 N CB -0.940 37.527 38.487 -0.033 0.000 0.959 194 N HN 0.403 nan 8.380 nan 0.000 0.544 195 V N -3.731 116.170 119.914 -0.022 0.000 3.049 195 V HA 0.869 4.989 4.120 -0.001 0.000 0.309 195 V C 0.039 176.122 176.094 -0.019 0.000 1.148 195 V CA -0.522 61.782 62.300 0.005 0.000 0.990 195 V CB 2.349 34.222 31.823 0.084 0.000 1.039 195 V HN 0.056 nan 8.190 nan 0.000 0.430 196 T N 3.867 118.400 114.554 -0.035 0.000 2.930 196 T HA 0.570 4.920 4.350 -0.001 0.000 0.313 196 T C -2.737 171.884 174.700 -0.131 0.000 1.019 196 T CA -0.761 61.298 62.100 -0.069 0.000 1.004 196 T CB 1.379 70.196 68.868 -0.085 0.000 0.987 196 T HN 0.755 nan 8.240 nan 0.000 0.456 197 P HA 0.172 nan 4.420 nan 0.000 0.266 197 P C 0.832 177.747 177.300 -0.642 0.000 1.195 197 P CA -0.147 62.839 63.100 -0.190 0.000 0.768 197 P CB 0.546 32.249 31.700 0.004 0.000 0.838 198 T N -1.831 112.402 114.554 -0.535 0.000 3.043 198 T HA 0.538 4.888 4.350 -0.001 0.000 0.272 198 T C 0.326 174.849 174.700 -0.295 0.000 0.990 198 T CA -0.289 61.373 62.100 -0.730 0.000 0.897 198 T CB 0.133 68.783 68.868 -0.363 0.000 1.111 198 T HN 0.404 nan 8.240 nan 0.000 0.529 199 A N 0.900 123.705 122.820 -0.026 0.000 2.342 199 A HA 0.803 5.123 4.320 -0.001 0.000 0.323 199 A C -0.135 177.722 177.584 0.455 0.000 1.125 199 A CA -0.694 51.478 52.037 0.225 0.000 0.785 199 A CB 1.776 20.923 19.000 0.245 0.000 1.221 199 A HN 0.267 nan 8.150 nan 0.000 0.463 200 S N 2.130 118.085 115.700 0.424 0.000 2.549 200 S HA 0.664 5.134 4.470 -0.001 0.000 0.297 200 S C -1.106 173.686 174.600 0.320 0.000 1.115 200 S CA -0.436 57.949 58.200 0.310 0.000 1.059 200 S CB 0.732 63.931 63.200 -0.001 0.000 1.046 200 S HN 0.792 nan 8.310 nan 0.000 0.506 201 W N 4.571 125.892 121.300 0.035 0.000 2.499 201 W HA 0.633 5.292 4.660 -0.001 0.000 0.320 201 W C -1.421 175.053 176.519 -0.076 0.000 1.010 201 W CA -0.847 56.471 57.345 -0.044 0.000 1.267 201 W CB 1.200 30.606 29.460 -0.091 0.000 1.316 201 W HN 0.782 nan 8.180 nan 0.000 0.431 202 A N 7.861 130.523 122.820 -0.264 0.000 3.030 202 A HA 0.258 4.577 4.320 -0.001 0.000 0.335 202 A C 0.391 177.736 177.584 -0.397 0.000 1.089 202 A CA -0.458 51.443 52.037 -0.226 0.000 0.807 202 A CB -0.457 18.526 19.000 -0.028 0.000 1.099 202 A HN 0.697 nan 8.150 nan 0.000 0.474 203 I N -2.334 117.811 120.570 -0.708 0.000 3.419 203 I HA 0.286 4.455 4.170 -0.001 0.000 0.286 203 I C 1.322 177.150 176.117 -0.481 0.000 1.268 203 I CA 1.339 62.193 61.300 -0.744 0.000 1.414 203 I CB 0.458 37.747 38.000 -1.184 0.000 1.074 203 I HN 0.341 nan 8.210 nan 0.000 0.457 204 A N 0.385 122.886 122.820 -0.531 0.000 2.312 204 A HA 0.485 4.805 4.320 -0.001 0.000 0.215 204 A C -2.007 175.159 177.584 -0.696 0.000 1.256 204 A CA -0.268 51.433 52.037 -0.559 0.000 0.966 204 A CB -0.748 17.780 19.000 -0.787 0.000 1.053 204 A HN 0.245 nan 8.150 nan 0.000 0.510 205 P HA 0.146 nan 4.420 nan 0.000 0.268 205 P C -0.736 176.141 177.300 -0.705 0.000 1.208 205 P CA 0.245 62.847 63.100 -0.830 0.000 0.777 205 P CB 0.084 31.447 31.700 -0.562 0.000 0.875 206 F N 1.708 121.421 119.950 -0.396 0.000 2.541 206 F HA 0.542 5.068 4.527 -0.001 0.000 0.351 206 F C 1.430 177.169 175.800 -0.102 0.000 1.209 206 F CA -0.662 57.077 58.000 -0.436 0.000 1.277 206 F CB -1.160 37.727 39.000 -0.188 0.000 1.632 206 F HN 0.514 nan 8.300 nan 0.000 0.619 207 G N 1.245 109.790 108.800 -0.424 0.000 2.662 207 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.686 207 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.686 207 G C -1.477 173.040 174.900 -0.639 0.000 1.271 207 G CA -1.158 43.784 45.100 -0.263 0.000 0.816 207 G HN 0.615 nan 8.290 nan 0.000 0.608 208 H N -0.610 118.143 119.070 -0.528 0.000 2.851 208 H HA 0.748 5.303 4.556 -0.001 0.000 0.372 208 H C -0.394 174.810 175.328 -0.207 0.000 1.158 208 H CA 0.026 55.961 56.048 -0.188 0.000 1.159 208 H CB 2.062 31.876 29.762 0.087 0.000 1.757 208 H HN 0.693 nan 8.280 nan 0.000 0.546 209 S N 2.171 118.012 115.700 0.236 0.000 2.501 209 S HA 0.270 4.739 4.470 -0.001 0.000 0.301 209 S C -1.836 172.795 174.600 0.052 0.000 1.096 209 S CA -1.788 56.562 58.200 0.250 0.000 1.063 209 S CB 1.348 64.739 63.200 0.319 0.000 1.042 209 S HN 0.453 nan 8.310 nan 0.000 0.494 210 P HA 0.039 nan 4.420 nan 0.000 0.237 210 P C 1.063 178.110 177.300 -0.422 0.000 1.178 210 P CA 0.626 63.326 63.100 -0.665 0.000 0.766 210 P CB -0.251 31.220 31.700 -0.383 0.000 0.876 211 T N -0.077 114.363 114.554 -0.191 0.000 2.833 211 T HA -0.099 4.250 4.350 -0.001 0.000 0.269 211 T C 1.839 176.486 174.700 -0.090 0.000 1.054 211 T CA 1.230 63.255 62.100 -0.124 0.000 1.135 211 T CB -0.389 68.444 68.868 -0.058 0.000 0.869 211 T HN 0.006 nan 8.240 nan 0.000 0.466 212 M N 0.939 120.450 119.600 -0.149 0.000 2.059 212 M HA -0.002 4.478 4.480 -0.001 0.000 0.259 212 M C -0.588 175.572 176.300 -0.233 0.000 1.072 212 M CA 1.292 56.503 55.300 -0.148 0.000 1.117 212 M CB -2.526 30.012 32.600 -0.103 0.000 1.320 212 M HN 0.140 nan 8.290 nan 0.000 0.408 213 P HA -0.206 nan 4.420 nan 0.000 0.218 213 P C 1.676 178.846 177.300 -0.216 0.000 1.148 213 P CA 1.462 64.365 63.100 -0.330 0.000 0.822 213 P CB -0.429 30.974 31.700 -0.496 0.000 0.784 214 Y N 1.093 121.202 120.300 -0.318 0.000 2.097 214 Y HA -0.214 4.336 4.550 -0.001 0.000 0.282 214 Y C 2.447 178.260 175.900 -0.145 0.000 1.152 214 Y CA 1.753 59.729 58.100 -0.207 0.000 1.136 214 Y CB -0.949 37.403 38.460 -0.180 0.000 0.975 214 Y HN -0.240 nan 8.280 nan 0.000 0.498 215 I N -0.413 120.186 120.570 0.049 0.000 2.202 215 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 215 I C 2.293 178.347 176.117 -0.104 0.000 1.091 215 I CA 1.190 62.487 61.300 -0.004 0.000 1.368 215 I CB -0.417 37.637 38.000 0.089 0.000 1.058 215 I HN 0.268 nan 8.210 nan 0.000 0.410 216 L N 0.107 121.215 121.223 -0.191 0.000 2.046 216 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 216 L C 2.698 179.554 176.870 -0.024 0.000 1.077 216 L CA 1.206 55.867 54.840 -0.297 0.000 0.747 216 L CB -0.690 41.009 42.059 -0.600 0.000 0.896 216 L HN 0.357 nan 8.230 nan 0.000 0.432 217 Q N 1.111 120.862 119.800 -0.082 0.000 2.170 217 Q HA -0.199 4.141 4.340 -0.001 0.000 0.203 217 Q C 1.701 177.663 176.000 -0.064 0.000 0.976 217 Q CA 1.484 57.258 55.803 -0.047 0.000 0.858 217 Q CB 0.108 28.785 28.738 -0.103 0.000 0.907 217 Q HN 0.465 nan 8.270 nan 0.000 0.433 218 K N -0.392 119.931 120.400 -0.130 0.000 2.487 218 K HA 0.094 4.413 4.320 -0.001 0.000 0.192 218 K C 0.707 177.275 176.600 -0.053 0.000 1.027 218 K CA 0.187 56.394 56.287 -0.133 0.000 1.054 218 K CB 0.468 32.821 32.500 -0.245 0.000 0.824 218 K HN -0.058 nan 8.250 nan 0.000 0.510 219 S N -0.354 115.370 115.700 0.039 0.000 2.754 219 S HA 0.208 4.677 4.470 -0.001 0.000 0.247 219 S C 0.796 175.496 174.600 0.168 0.000 1.031 219 S CA 0.100 58.369 58.200 0.116 0.000 1.014 219 S CB 1.324 64.638 63.200 0.190 0.000 0.918 219 S HN 0.522 nan 8.310 nan 0.000 0.519 220 G N 1.203 110.055 108.800 0.087 0.000 2.195 220 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.246 220 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.246 220 G C -0.011 174.862 174.900 -0.045 0.000 0.984 220 G CA -0.457 44.635 45.100 -0.014 0.000 0.633 220 G HN 0.432 nan 8.290 nan 0.000 0.525 221 F N 0.443 120.353 119.950 -0.067 0.000 2.450 221 F HA 0.592 5.118 4.527 -0.001 0.000 0.339 221 F C 1.580 177.322 175.800 -0.098 0.000 1.146 221 F CA 0.080 58.036 58.000 -0.073 0.000 1.267 221 F CB 0.923 39.882 39.000 -0.067 0.000 1.178 221 F HN -0.198 nan 8.300 nan 0.000 0.585 222 K N 0.655 121.072 120.400 0.029 0.000 2.425 222 K HA 0.253 4.573 4.320 -0.001 0.000 0.201 222 K C -0.406 176.134 176.600 -0.100 0.000 1.128 222 K CA 0.288 56.533 56.287 -0.069 0.000 1.000 222 K CB 0.280 32.691 32.500 -0.149 0.000 0.961 222 K HN 0.527 nan 8.250 nan 0.000 0.555 223 N N 0.694 119.315 118.700 -0.131 0.000 2.484 223 N HA 0.397 5.137 4.740 -0.001 0.000 0.269 223 N C -0.910 174.445 175.510 -0.259 0.000 1.237 223 N CA -0.397 52.409 53.050 -0.407 0.000 0.838 223 N CB 2.522 40.208 38.487 -1.334 0.000 1.593 223 N HN -0.082 nan 8.380 nan 0.000 0.485 224 M N -0.379 119.084 119.600 -0.229 0.000 2.569 224 M HA 0.630 5.110 4.480 -0.001 0.000 0.279 224 M C -1.945 174.417 176.300 0.104 0.000 1.253 224 M CA -0.958 54.334 55.300 -0.014 0.000 0.867 224 M CB 2.891 35.472 32.600 -0.032 0.000 1.727 224 M HN 0.465 nan 8.290 nan 0.000 0.467 225 L N 3.538 124.839 121.223 0.130 0.000 2.386 225 L HA 0.876 5.216 4.340 -0.001 0.000 0.271 225 L C -1.437 175.307 176.870 -0.209 0.000 0.993 225 L CA -0.746 54.125 54.840 0.051 0.000 0.819 225 L CB 2.006 44.140 42.059 0.124 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.964 121.322 120.570 -0.354 0.000 3.042 226 I HA 0.625 4.794 4.170 -0.001 0.000 0.310 226 I C -0.697 175.117 176.117 -0.505 0.000 1.117 226 I CA -0.567 60.335 61.300 -0.664 0.000 1.003 226 I CB 2.243 39.565 38.000 -1.131 0.000 1.228 226 I HN 0.741 nan 8.210 nan 0.000 0.443 227 Q N 1.849 121.416 119.800 -0.389 0.000 2.546 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.226 227 Q C 0.000 175.898 176.000 -0.171 0.000 0.769 227 Q CA 0.375 56.032 55.803 -0.243 0.000 0.954 227 Q CB 0.609 29.205 28.738 -0.238 0.000 1.319 227 Q HN 0.659 nan 8.270 nan 0.000 0.534 228 R N 2.054 122.484 120.500 -0.118 0.000 2.608 228 R HA 0.344 4.683 4.340 -0.001 0.000 0.277 228 R C -0.692 175.330 176.300 -0.463 0.000 1.341 228 R CA 0.579 56.342 56.100 -0.562 0.000 1.199 228 R CB 0.254 29.889 30.300 -1.108 0.000 1.156 228 R HN 0.396 nan 8.270 nan 0.000 0.558 229 T N -2.475 112.030 114.554 -0.082 0.000 2.916 229 T HA 0.136 4.485 4.350 -0.001 0.000 0.292 229 T C -0.022 174.921 174.700 0.405 0.000 1.055 229 T CA -0.891 61.299 62.100 0.151 0.000 1.009 229 T CB 1.768 70.581 68.868 -0.092 0.000 1.118 229 T HN 0.415 nan 8.240 nan 0.000 0.497 230 H N 1.948 121.230 119.070 0.353 0.000 3.064 230 H HA -0.038 4.518 4.556 -0.001 0.000 0.329 230 H C 1.035 176.434 175.328 0.118 0.000 1.020 230 H CA 0.439 56.610 56.048 0.205 0.000 1.402 230 H CB 0.332 30.240 29.762 0.243 0.000 1.379 230 H HN 0.925 nan 8.280 nan 0.000 0.594 231 Y N 2.307 122.721 120.300 0.190 0.000 2.256 231 Y HA -0.160 4.390 4.550 -0.001 0.000 0.288 231 Y C 2.205 178.284 175.900 0.298 0.000 1.155 231 Y CA 0.902 59.142 58.100 0.234 0.000 1.203 231 Y CB -0.612 37.923 38.460 0.125 0.000 0.980 231 Y HN 0.301 nan 8.280 nan 0.000 0.530 232 S N 0.399 116.139 115.700 0.067 0.000 2.383 232 S HA -0.125 4.344 4.470 -0.001 0.000 0.227 232 S C 2.086 176.613 174.600 -0.122 0.000 1.026 232 S CA 1.212 59.342 58.200 -0.118 0.000 0.981 232 S CB -0.569 62.327 63.200 -0.506 0.000 0.818 232 S HN 0.374 nan 8.310 nan 0.000 0.472 233 V N 1.986 121.886 119.914 -0.023 0.000 2.358 233 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 233 V C 2.228 178.360 176.094 0.064 0.000 1.047 233 V CA 1.592 63.907 62.300 0.026 0.000 1.035 233 V CB -0.516 31.426 31.823 0.198 0.000 0.658 233 V HN 0.418 nan 8.190 nan 0.000 0.452 234 K N 0.124 120.604 120.400 0.134 0.000 2.063 234 K HA -0.241 4.079 4.320 -0.001 0.000 0.208 234 K C 2.277 179.006 176.600 0.216 0.000 1.048 234 K CA 1.740 58.120 56.287 0.156 0.000 0.928 234 K CB -0.231 32.419 32.500 0.251 0.000 0.713 234 K HN 0.358 nan 8.250 nan 0.000 0.442 235 K N 1.215 121.743 120.400 0.212 0.000 2.026 235 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 235 K C 2.138 178.831 176.600 0.155 0.000 1.048 235 K CA 1.709 58.129 56.287 0.223 0.000 0.929 235 K CB 0.050 32.609 32.500 0.099 0.000 0.713 235 K HN -0.033 nan 8.250 nan 0.000 0.439 236 E N 0.937 121.150 120.200 0.022 0.000 2.051 236 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 236 E C 1.947 178.542 176.600 -0.009 0.000 0.991 236 E CA 1.448 57.820 56.400 -0.047 0.000 0.799 236 E CB -0.198 29.425 29.700 -0.129 0.000 0.748 236 E HN 0.352 nan 8.360 nan 0.000 0.449 237 L N -0.257 120.971 121.223 0.009 0.000 2.109 237 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 237 L C 2.494 179.384 176.870 0.033 0.000 1.086 237 L CA 0.892 55.730 54.840 -0.003 0.000 0.760 237 L CB -0.558 41.483 42.059 -0.030 0.000 0.910 237 L HN 0.209 nan 8.230 nan 0.000 0.437 238 A N -0.326 122.566 122.820 0.119 0.000 1.933 238 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 238 A C 2.209 179.979 177.584 0.309 0.000 1.175 238 A CA 1.409 53.571 52.037 0.208 0.000 0.628 238 A CB -0.407 18.868 19.000 0.458 0.000 0.814 238 A HN 0.467 nan 8.150 nan 0.000 0.444 239 Q N -0.942 118.987 119.800 0.215 0.000 2.224 239 Q HA -0.130 4.209 4.340 -0.001 0.000 0.203 239 Q C 1.338 177.328 176.000 -0.017 0.000 0.970 239 Q CA 1.154 56.934 55.803 -0.038 0.000 0.865 239 Q CB -0.013 28.576 28.738 -0.248 0.000 0.922 239 Q HN 0.618 nan 8.270 nan 0.000 0.445 240 Q N -0.154 119.649 119.800 0.005 0.000 2.319 240 Q HA 0.132 4.472 4.340 -0.001 0.000 0.202 240 Q C -0.361 175.656 176.000 0.029 0.000 0.896 240 Q CA -0.023 55.781 55.803 0.001 0.000 0.942 240 Q CB 0.625 29.353 28.738 -0.016 0.000 1.083 240 Q HN 0.271 nan 8.270 nan 0.000 0.510 241 R N 0.900 121.423 120.500 0.038 0.000 3.322 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.253 241 R C -0.131 176.204 176.300 0.058 0.000 0.987 241 R CA 0.463 56.578 56.100 0.024 0.000 0.666 241 R CB -1.854 28.486 30.300 0.066 0.000 1.072 241 R HN 0.394 nan 8.270 nan 0.000 0.447 242 Q N 0.048 119.870 119.800 0.037 0.000 2.186 242 Q HA 0.194 4.533 4.340 -0.001 0.000 0.241 242 Q C 1.178 177.259 176.000 0.135 0.000 0.849 242 Q CA -0.232 55.627 55.803 0.094 0.000 1.053 242 Q CB 0.553 29.309 28.738 0.030 0.000 1.146 242 Q HN 0.440 nan 8.270 nan 0.000 0.475 243 L N 0.108 121.344 121.223 0.022 0.000 2.492 243 L HA 0.052 4.391 4.340 -0.001 0.000 0.223 243 L C 0.298 177.161 176.870 -0.013 0.000 1.132 243 L CA 0.920 55.747 54.840 -0.022 0.000 0.850 243 L CB 0.325 42.183 42.059 -0.336 0.000 0.966 243 L HN 0.185 nan 8.230 nan 0.000 0.454 244 E N 0.160 120.399 120.200 0.065 0.000 2.158 244 E HA 0.522 4.872 4.350 -0.001 0.000 0.271 244 E C -1.224 175.286 176.600 -0.150 0.000 0.911 244 E CA -0.543 55.694 56.400 -0.271 0.000 0.767 244 E CB 1.574 31.253 29.700 -0.035 0.000 1.120 244 E HN -0.002 nan 8.360 nan 0.000 0.405 245 F N -0.279 119.406 119.950 -0.442 0.000 2.686 245 F HA 0.469 4.995 4.527 -0.001 0.000 0.311 245 F C -1.558 174.119 175.800 -0.206 0.000 1.128 245 F CA -1.384 56.503 58.000 -0.189 0.000 0.946 245 F CB 0.773 39.696 39.000 -0.127 0.000 1.336 245 F HN 0.161 nan 8.300 nan 0.000 0.457 246 L N 2.636 124.008 121.223 0.248 0.000 2.282 246 L HA 0.179 4.519 4.340 -0.001 0.000 0.287 246 L C -1.108 175.989 176.870 0.378 0.000 1.075 246 L CA -0.224 54.761 54.840 0.242 0.000 0.839 246 L CB 0.496 42.701 42.059 0.243 0.000 1.219 246 L HN 0.585 nan 8.230 nan 0.000 0.434 247 W N 6.791 128.193 121.300 0.171 0.000 2.342 247 W HA 0.349 5.008 4.660 -0.001 0.000 0.310 247 W C 0.209 176.753 176.519 0.042 0.000 1.128 247 W CA -1.296 56.172 57.345 0.205 0.000 1.322 247 W CB 0.510 30.131 29.460 0.268 0.000 1.251 247 W HN 0.512 nan 8.180 nan 0.000 0.439 248 R N 3.734 124.412 120.500 0.297 0.000 2.758 248 R HA 0.547 4.887 4.340 -0.001 0.000 0.265 248 R C -0.107 176.102 176.300 -0.152 0.000 1.016 248 R CA -0.901 55.198 56.100 -0.001 0.000 1.040 248 R CB 1.089 31.371 30.300 -0.030 0.000 1.152 248 R HN 0.241 nan 8.270 nan 0.000 0.503 249 Q N 1.330 120.886 119.800 -0.407 0.000 2.394 249 Q HA 0.069 4.408 4.340 -0.001 0.000 0.248 249 Q C 1.452 177.060 176.000 -0.653 0.000 0.992 249 Q CA 0.066 55.432 55.803 -0.729 0.000 0.888 249 Q CB 0.886 28.738 28.738 -1.477 0.000 1.257 249 Q HN 0.848 nan 8.270 nan 0.000 0.462 250 I N -2.072 118.221 120.570 -0.461 0.000 2.454 250 I HA -0.145 4.024 4.170 -0.001 0.000 0.254 250 I C 1.314 177.376 176.117 -0.092 0.000 1.156 250 I CA 1.236 62.431 61.300 -0.174 0.000 1.433 250 I CB -0.368 37.626 38.000 -0.011 0.000 1.082 250 I HN 0.672 nan 8.210 nan 0.000 0.432 251 W N 1.534 122.891 121.300 0.094 0.000 3.278 251 W HA 0.354 5.014 4.660 -0.001 0.000 0.308 251 W C 0.193 176.788 176.519 0.127 0.000 1.253 251 W CA -0.644 56.817 57.345 0.193 0.000 1.759 251 W CB -0.663 29.004 29.460 0.345 0.000 1.093 251 W HN -0.044 nan 8.180 nan 0.000 0.648 252 D N 1.480 121.663 120.400 -0.362 0.000 2.411 252 D HA 0.046 4.685 4.640 -0.001 0.000 0.225 252 D C 0.913 177.191 176.300 -0.037 0.000 1.156 252 D CA 0.072 53.964 54.000 -0.181 0.000 0.874 252 D CB 0.291 40.870 40.800 -0.367 0.000 1.034 252 D HN 0.015 nan 8.370 nan 0.000 0.502 253 N N 3.193 121.930 118.700 0.061 0.000 2.216 253 N HA -0.119 4.620 4.740 -0.001 0.000 0.183 253 N C 1.324 176.852 175.510 0.031 0.000 1.017 253 N CA 0.610 53.688 53.050 0.046 0.000 0.861 253 N CB 0.312 38.845 38.487 0.077 0.000 0.986 253 N HN 0.433 nan 8.380 nan 0.000 0.428 254 K N 0.000 120.423 120.400 0.038 0.000 2.116 254 K HA -0.026 4.293 4.320 -0.001 0.000 0.203 254 K C 0.887 177.500 176.600 0.021 0.000 1.052 254 K CA 1.228 57.535 56.287 0.032 0.000 0.952 254 K CB 0.164 32.688 32.500 0.040 0.000 0.729 254 K HN 0.194 nan 8.250 nan 0.000 0.446 255 G N 0.654 109.458 108.800 0.006 0.000 2.148 255 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.203 255 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.203 255 G C 0.122 175.021 174.900 -0.001 0.000 0.993 255 G CA 0.333 45.433 45.100 0.001 0.000 0.661 255 G HN 0.358 nan 8.290 nan 0.000 0.518 256 D N 0.610 121.009 120.400 -0.000 0.000 2.310 256 D HA 0.002 4.641 4.640 -0.001 0.000 0.212 256 D C 2.602 178.884 176.300 -0.029 0.000 0.965 256 D CA 1.715 55.712 54.000 -0.005 0.000 0.879 256 D CB -0.180 40.624 40.800 0.006 0.000 0.921 256 D HN 0.659 nan 8.370 nan 0.000 0.510 257 T N -2.205 112.319 114.554 -0.049 0.000 3.113 257 T HA 0.293 4.642 4.350 -0.001 0.000 0.256 257 T C 0.972 175.628 174.700 -0.074 0.000 1.131 257 T CA -0.044 62.003 62.100 -0.089 0.000 1.074 257 T CB -0.028 68.763 68.868 -0.128 0.000 0.944 257 T HN 0.054 nan 8.240 nan 0.000 0.516 258 A N 1.360 124.165 122.820 -0.027 0.000 2.498 258 A HA 0.572 4.891 4.320 -0.001 0.000 0.239 258 A C -0.295 177.307 177.584 0.030 0.000 1.068 258 A CA -0.389 51.664 52.037 0.027 0.000 0.766 258 A CB -0.050 18.994 19.000 0.075 0.000 1.003 258 A HN 0.549 nan 8.150 nan 0.000 0.497 259 L N 2.508 123.769 121.223 0.063 0.000 2.409 259 L HA 0.570 4.909 4.340 -0.001 0.000 0.272 259 L C -0.682 176.245 176.870 0.094 0.000 0.980 259 L CA -0.549 54.324 54.840 0.055 0.000 0.826 259 L CB 1.461 43.516 42.059 -0.007 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.806 123.718 119.950 -0.064 0.000 2.578 260 F HA 0.411 4.937 4.527 -0.001 0.000 0.376 260 F C 0.027 175.709 175.800 -0.196 0.000 1.085 260 F CA 0.779 58.707 58.000 -0.120 0.000 1.260 260 F CB 0.483 39.430 39.000 -0.088 0.000 1.095 260 F HN 0.565 nan 8.300 nan 0.000 0.573 261 T N 5.319 119.293 114.554 -0.965 0.000 2.881 261 T HA 0.203 4.553 4.350 -0.001 0.000 0.290 261 T C -1.622 172.440 174.700 -1.063 0.000 1.000 261 T CA -0.482 61.134 62.100 -0.807 0.000 0.978 261 T CB 0.899 69.277 68.868 -0.817 0.000 0.997 261 T HN 0.622 nan 8.240 nan 0.000 0.443 262 H N 2.796 121.559 119.070 -0.513 0.000 2.504 262 H HA 0.638 5.193 4.556 -0.001 0.000 0.322 262 H C -0.409 174.726 175.328 -0.321 0.000 1.055 262 H CA -0.765 55.100 56.048 -0.305 0.000 1.231 262 H CB 0.788 30.590 29.762 0.067 0.000 1.417 262 H HN 0.477 nan 8.280 nan 0.000 0.472 263 M N 6.864 126.135 119.600 -0.548 0.000 2.157 263 M HA 0.308 4.787 4.480 -0.001 0.000 0.354 263 M C -1.045 175.002 176.300 -0.422 0.000 1.170 263 M CA -0.602 54.447 55.300 -0.417 0.000 1.060 263 M CB 0.758 33.168 32.600 -0.317 0.000 1.615 263 M HN 0.673 nan 8.290 nan 0.000 0.460 264 M N 6.715 126.165 119.600 -0.250 0.000 2.242 264 M HA 0.242 4.722 4.480 -0.001 0.000 0.344 264 M C -1.638 174.528 176.300 -0.223 0.000 1.140 264 M CA -1.361 53.839 55.300 -0.166 0.000 1.160 264 M CB 0.574 33.104 32.600 -0.117 0.000 1.491 264 M HN 0.477 nan 8.290 nan 0.000 0.459 265 P HA 0.129 nan 4.420 nan 0.000 0.252 265 P C -0.323 176.780 177.300 -0.328 0.000 1.218 265 P CA 0.853 63.656 63.100 -0.495 0.000 0.807 265 P CB 0.345 31.439 31.700 -1.010 0.000 1.072 266 F N -2.336 117.621 119.950 0.011 0.000 2.611 266 F HA 0.303 4.829 4.527 -0.001 0.000 0.374 266 F C 2.086 177.979 175.800 0.154 0.000 1.110 266 F CA -1.263 56.780 58.000 0.072 0.000 1.090 266 F CB 0.269 39.246 39.000 -0.039 0.000 1.388 266 F HN -0.328 nan 8.300 nan 0.000 0.501 267 Y N 0.402 120.855 120.300 0.257 0.000 2.373 267 Y HA 0.076 4.625 4.550 -0.001 0.000 0.293 267 Y C 0.834 176.666 175.900 -0.113 0.000 1.129 267 Y CA 1.072 59.183 58.100 0.020 0.000 1.226 267 Y CB 0.057 38.424 38.460 -0.156 0.000 1.000 267 Y HN 0.322 nan 8.280 nan 0.000 0.549 268 S N -1.678 113.893 115.700 -0.215 0.000 2.651 268 S HA 0.258 4.727 4.470 -0.001 0.000 0.279 268 S C -0.359 174.201 174.600 -0.067 0.000 1.148 268 S CA -0.396 57.589 58.200 -0.359 0.000 0.837 268 S CB 0.386 63.350 63.200 -0.393 0.000 1.138 268 S HN 0.287 nan 8.310 nan 0.000 0.478 269 Y N 0.879 121.142 120.300 -0.061 0.000 2.466 269 Y HA 0.322 4.871 4.550 -0.001 0.000 0.272 269 Y C 0.370 176.363 175.900 0.154 0.000 1.169 269 Y CA -0.679 57.420 58.100 -0.002 0.000 1.285 269 Y CB -1.006 37.367 38.460 -0.144 0.000 1.078 269 Y HN 0.541 nan 8.280 nan 0.000 0.523 270 D N 0.518 121.004 120.400 0.143 0.000 2.377 270 D HA 0.001 4.640 4.640 -0.001 0.000 0.245 270 D C 1.223 177.676 176.300 0.256 0.000 1.196 270 D CA -0.464 53.673 54.000 0.230 0.000 0.962 270 D CB 0.848 41.741 40.800 0.154 0.000 1.127 270 D HN 0.250 nan 8.370 nan 0.000 0.471 271 I N -0.192 120.498 120.570 0.200 0.000 2.226 271 I HA -0.146 4.023 4.170 -0.001 0.000 0.245 271 I C -0.755 175.414 176.117 0.088 0.000 1.100 271 I CA 0.789 62.189 61.300 0.166 0.000 1.374 271 I CB -1.165 36.917 38.000 0.136 0.000 1.057 271 I HN 0.333 nan 8.210 nan 0.000 0.413 272 P HA -0.165 nan 4.420 nan 0.000 0.219 272 P C 0.610 177.623 177.300 -0.478 0.000 1.146 272 P CA 1.631 64.564 63.100 -0.279 0.000 0.808 272 P CB -0.104 31.431 31.700 -0.275 0.000 0.779 273 H N -2.956 116.129 119.070 0.025 0.000 2.486 273 H HA 0.220 4.776 4.556 -0.001 0.000 0.284 273 H C 0.850 176.290 175.328 0.186 0.000 1.103 273 H CA 0.564 56.640 56.048 0.047 0.000 1.089 273 H CB -0.201 29.654 29.762 0.155 0.000 1.603 273 H HN 0.109 nan 8.280 nan 0.000 0.557 274 T N -4.283 110.400 114.554 0.216 0.000 3.016 274 T HA -0.021 4.329 4.350 -0.001 0.000 0.271 274 T C 1.763 176.593 174.700 0.217 0.000 0.968 274 T CA 0.341 62.592 62.100 0.252 0.000 0.891 274 T CB -0.699 68.308 68.868 0.231 0.000 1.149 274 T HN 0.509 nan 8.240 nan 0.000 0.524 275 c N 1.527 120.227 118.600 0.167 0.000 2.563 275 c HA 0.714 5.284 4.570 -0.001 0.000 0.268 275 c C 1.323 175.547 174.090 0.222 0.000 1.365 275 c CA 0.382 56.850 56.329 0.232 0.000 1.754 275 c CB -1.161 41.448 42.510 0.165 0.000 1.932 275 c HN 0.889 nan 8.230 nan 0.000 0.536 276 G N -0.239 108.615 108.800 0.091 0.000 2.324 276 G HA2 0.363 4.322 3.960 -0.001 0.000 0.293 276 G HA3 0.363 4.322 3.960 -0.001 0.000 0.293 276 G C -2.757 171.775 174.900 -0.613 0.000 1.297 276 G CA 0.224 45.310 45.100 -0.024 0.000 0.853 276 G HN -0.104 nan 8.290 nan 0.000 0.535 277 P HA 0.116 nan 4.420 nan 0.000 0.231 277 P C -0.146 176.734 177.300 -0.701 0.000 1.168 277 P CA 0.959 63.349 63.100 -1.183 0.000 0.779 277 P CB 0.410 31.744 31.700 -0.609 0.000 0.844 278 D N 1.077 121.187 120.400 -0.483 0.000 2.454 278 D HA 0.140 4.780 4.640 -0.001 0.000 0.225 278 D C -1.503 174.460 176.300 -0.562 0.000 1.081 278 D CA -2.594 51.162 54.000 -0.407 0.000 0.864 278 D CB 1.378 42.023 40.800 -0.258 0.000 1.040 278 D HN -0.000 nan 8.370 nan 0.000 0.517 279 P HA -0.125 nan 4.420 nan 0.000 0.223 279 P C 1.231 177.723 177.300 -1.348 0.000 1.151 279 P CA 0.614 62.974 63.100 -1.234 0.000 0.787 279 P CB 0.500 31.190 31.700 -1.683 0.000 0.788 280 K N 0.367 120.086 120.400 -1.135 0.000 2.147 280 K HA -0.070 4.249 4.320 -0.001 0.000 0.205 280 K C 1.766 178.180 176.600 -0.310 0.000 1.049 280 K CA 1.109 57.036 56.287 -0.600 0.000 0.936 280 K CB -0.223 32.117 32.500 -0.267 0.000 0.722 280 K HN -0.064 nan 8.250 nan 0.000 0.446 281 V N 0.356 120.095 119.914 -0.293 0.000 2.331 281 V HA -0.228 3.892 4.120 -0.001 0.000 0.242 281 V C 2.394 178.458 176.094 -0.050 0.000 1.034 281 V CA 1.373 63.600 62.300 -0.122 0.000 1.027 281 V CB -0.299 31.465 31.823 -0.099 0.000 0.667 281 V HN 0.471 nan 8.190 nan 0.000 0.457 282 c N -0.697 117.796 118.600 -0.178 0.000 2.422 282 c HA -0.185 4.385 4.570 -0.001 0.000 0.279 282 c C 2.970 177.030 174.090 -0.050 0.000 1.305 282 c CA 0.719 57.013 56.329 -0.058 0.000 1.757 282 c CB -1.537 40.863 42.510 -0.183 0.000 1.962 282 c HN 0.762 nan 8.230 nan 0.000 0.499 283 c N 0.897 119.379 118.600 -0.196 0.000 2.419 283 c HA -0.142 4.428 4.570 -0.001 0.000 0.281 283 c C 2.592 176.572 174.090 -0.182 0.000 1.336 283 c CA 1.200 57.463 56.329 -0.110 0.000 1.770 283 c CB -1.457 41.064 42.510 0.018 0.000 1.929 283 c HN 0.640 nan 8.230 nan 0.000 0.509 284 Q N -1.363 118.274 119.800 -0.271 0.000 2.488 284 Q HA -0.019 4.321 4.340 -0.001 0.000 0.211 284 Q C 0.660 175.989 176.000 -1.119 0.000 0.967 284 Q CA 1.006 56.458 55.803 -0.587 0.000 0.926 284 Q CB -0.020 28.353 28.738 -0.608 0.000 0.992 284 Q HN 0.742 nan 8.270 nan 0.000 0.506 285 F N -0.302 119.361 119.950 -0.478 0.000 2.698 285 F HA 0.164 4.691 4.527 -0.001 0.000 0.304 285 F C 0.188 175.721 175.800 -0.445 0.000 1.108 285 F CA -0.619 57.007 58.000 -0.623 0.000 1.263 285 F CB 0.796 39.676 39.000 -0.200 0.000 1.013 285 F HN -0.142 nan 8.300 nan 0.000 0.532 286 D N 0.095 120.281 120.400 -0.357 0.000 2.467 286 D HA 0.134 4.774 4.640 -0.001 0.000 0.220 286 D C 0.455 176.574 176.300 -0.302 0.000 1.103 286 D CA -0.338 53.561 54.000 -0.167 0.000 0.886 286 D CB 0.100 40.861 40.800 -0.065 0.000 1.025 286 D HN 0.102 nan 8.370 nan 0.000 0.514 287 F N 1.792 121.746 119.950 0.007 0.000 2.802 287 F HA 0.110 4.636 4.527 -0.001 0.000 0.300 287 F C 2.321 178.066 175.800 -0.091 0.000 1.168 287 F CA 0.221 58.199 58.000 -0.037 0.000 1.433 287 F CB 0.128 39.128 39.000 -0.000 0.000 1.115 287 F HN 0.262 nan 8.300 nan 0.000 0.582 288 K N 0.670 120.999 120.400 -0.118 0.000 2.486 288 K HA 0.031 4.351 4.320 -0.001 0.000 0.194 288 K C 1.117 177.680 176.600 -0.060 0.000 1.033 288 K CA 0.310 56.397 56.287 -0.334 0.000 1.004 288 K CB 0.106 32.281 32.500 -0.541 0.000 0.798 288 K HN 0.204 nan 8.250 nan 0.000 0.495 289 R N 0.104 120.590 120.500 -0.023 0.000 2.568 289 R HA 0.186 4.526 4.340 -0.001 0.000 0.288 289 R C 0.848 177.175 176.300 0.046 0.000 1.077 289 R CA -0.129 55.981 56.100 0.017 0.000 1.102 289 R CB 0.222 30.508 30.300 -0.024 0.000 1.278 289 R HN 0.185 nan 8.270 nan 0.000 0.560 290 M N -1.386 118.278 119.600 0.107 0.000 2.441 290 M HA 0.207 4.686 4.480 -0.001 0.000 0.244 290 M C 1.131 177.471 176.300 0.068 0.000 1.122 290 M CA 0.596 55.940 55.300 0.072 0.000 1.041 290 M CB 1.096 33.747 32.600 0.085 0.000 1.438 290 M HN 0.452 nan 8.290 nan 0.000 0.484 291 G N 0.091 108.949 108.800 0.097 0.000 3.288 291 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.195 291 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.195 291 G C 0.996 175.908 174.900 0.019 0.000 1.093 291 G CA 0.257 45.387 45.100 0.050 0.000 0.852 291 G HN 0.404 nan 8.290 nan 0.000 0.453 292 S N 0.215 115.891 115.700 -0.040 0.000 2.474 292 S HA 0.181 4.651 4.470 -0.001 0.000 0.235 292 S C 1.738 176.158 174.600 -0.301 0.000 0.997 292 S CA 1.500 59.578 58.200 -0.204 0.000 0.949 292 S CB -0.458 62.542 63.200 -0.333 0.000 0.766 292 S HN 0.374 nan 8.310 nan 0.000 0.517 293 F N 1.749 121.696 119.950 -0.005 0.000 2.765 293 F HA 0.420 4.946 4.527 -0.001 0.000 0.302 293 F C 1.891 177.690 175.800 -0.000 0.000 1.111 293 F CA 0.062 58.058 58.000 -0.007 0.000 1.359 293 F CB -0.039 38.952 39.000 -0.014 0.000 1.097 293 F HN 0.370 nan 8.300 nan 0.000 0.577 294 G N 1.140 110.012 108.800 0.121 0.000 2.143 294 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.248 294 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.248 294 G C -0.116 174.836 174.900 0.087 0.000 0.991 294 G CA 0.033 45.182 45.100 0.082 0.000 0.689 294 G HN 0.303 nan 8.290 nan 0.000 0.522 295 L N 0.139 121.427 121.223 0.107 0.000 2.323 295 L HA 0.865 5.205 4.340 -0.001 0.000 0.265 295 L C 0.516 177.419 176.870 0.054 0.000 1.012 295 L CA -0.391 54.494 54.840 0.075 0.000 0.820 295 L CB 2.339 44.441 42.059 0.072 0.000 1.334 295 L HN 0.447 nan 8.230 nan 0.000 0.427 296 S N -0.835 114.885 115.700 0.033 0.000 2.705 296 S HA 0.536 5.005 4.470 -0.001 0.000 0.280 296 S C -1.239 173.375 174.600 0.023 0.000 1.174 296 S CA -0.807 57.404 58.200 0.019 0.000 0.823 296 S CB 1.615 64.817 63.200 0.002 0.000 1.162 296 S HN 0.521 nan 8.310 nan 0.000 0.487 297 c N 2.733 121.351 118.600 0.031 0.000 2.265 297 c HA 0.540 5.110 4.570 -0.001 0.000 0.332 297 c C -1.217 172.862 174.090 -0.017 0.000 1.248 297 c CA -1.075 55.311 56.329 0.096 0.000 1.727 297 c CB 0.677 43.282 42.510 0.158 0.000 2.348 297 c HN 0.758 nan 8.230 nan 0.000 0.519 298 P HA -0.102 nan 4.420 nan 0.000 0.219 298 P C 1.205 178.203 177.300 -0.502 0.000 1.146 298 P CA 1.381 64.166 63.100 -0.525 0.000 0.808 298 P CB 0.028 31.158 31.700 -0.949 0.000 0.779 299 W N -0.086 121.192 121.300 -0.037 0.000 3.077 299 W HA 0.157 4.816 4.660 -0.001 0.000 0.245 299 W C 0.577 177.069 176.519 -0.045 0.000 1.316 299 W CA 0.198 57.517 57.345 -0.044 0.000 1.537 299 W CB -0.634 28.791 29.460 -0.058 0.000 1.131 299 W HN 0.130 nan 8.180 nan 0.000 0.695 300 K N -1.025 119.429 120.400 0.090 0.000 3.467 300 K HA -0.174 4.146 4.320 -0.001 0.000 0.309 300 K C -0.418 176.204 176.600 0.038 0.000 1.350 300 K CA 0.521 56.830 56.287 0.036 0.000 0.934 300 K CB -1.979 30.529 32.500 0.014 0.000 1.312 300 K HN -0.093 nan 8.250 nan 0.000 0.461 301 V N 1.900 121.849 119.914 0.057 0.000 2.376 301 V HA 0.302 4.422 4.120 -0.001 0.000 0.287 301 V C -1.830 174.249 176.094 -0.026 0.000 1.015 301 V CA -1.518 60.785 62.300 0.006 0.000 0.834 301 V CB 1.394 33.214 31.823 -0.006 0.000 1.001 301 V HN -0.030 nan 8.190 nan 0.000 0.428 302 P HA 0.397 nan 4.420 nan 0.000 0.276 302 P C -2.834 174.373 177.300 -0.155 0.000 1.252 302 P CA -2.066 60.991 63.100 -0.071 0.000 0.802 302 P CB 0.145 31.817 31.700 -0.047 0.000 1.035 303 P HA 0.228 nan 4.420 nan 0.000 0.269 303 P C -0.264 176.932 177.300 -0.174 0.000 1.209 303 P CA 0.252 63.143 63.100 -0.348 0.000 0.776 303 P CB 0.531 31.971 31.700 -0.433 0.000 0.876 304 R N 0.709 121.111 120.500 -0.164 0.000 2.599 304 R HA 0.413 4.752 4.340 -0.001 0.000 0.295 304 R C -0.243 176.113 176.300 0.094 0.000 0.963 304 R CA -0.681 55.397 56.100 -0.035 0.000 0.883 304 R CB 1.263 31.522 30.300 -0.068 0.000 1.171 304 R HN 0.357 nan 8.270 nan 0.000 0.450 305 T N 3.974 118.577 114.554 0.081 0.000 2.908 305 T HA 0.049 4.399 4.350 -0.001 0.000 0.301 305 T C 0.747 175.434 174.700 -0.021 0.000 1.019 305 T CA 0.086 62.209 62.100 0.038 0.000 1.152 305 T CB 0.135 69.006 68.868 0.006 0.000 0.966 305 T HN 0.192 nan 8.240 nan 0.000 0.540 306 I N 3.965 124.474 120.570 -0.102 0.000 2.496 306 I HA 0.269 4.438 4.170 -0.001 0.000 0.285 306 I C 0.975 177.040 176.117 -0.086 0.000 1.080 306 I CA -0.023 61.217 61.300 -0.100 0.000 1.404 306 I CB 0.313 38.213 38.000 -0.168 0.000 1.403 306 I HN 0.761 nan 8.210 nan 0.000 0.539 307 S N 3.672 119.333 115.700 -0.065 0.000 2.661 307 S HA 0.441 4.911 4.470 -0.001 0.000 0.285 307 S C 0.352 174.920 174.600 -0.053 0.000 1.138 307 S CA -0.756 57.414 58.200 -0.050 0.000 0.855 307 S CB 2.188 65.366 63.200 -0.036 0.000 1.136 307 S HN 0.498 nan 8.310 nan 0.000 0.484 308 D N 0.940 121.319 120.400 -0.034 0.000 2.182 308 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 308 D C 1.921 178.197 176.300 -0.041 0.000 0.986 308 D CA 1.889 55.871 54.000 -0.030 0.000 0.847 308 D CB -0.206 40.591 40.800 -0.004 0.000 0.942 308 D HN 0.837 nan 8.370 nan 0.000 0.467 309 Q N 0.674 120.455 119.800 -0.033 0.000 2.432 309 Q HA -0.080 4.260 4.340 -0.001 0.000 0.205 309 Q C 0.910 176.887 176.000 -0.039 0.000 0.945 309 Q CA 0.968 56.754 55.803 -0.029 0.000 0.924 309 Q CB 0.015 28.742 28.738 -0.019 0.000 1.016 309 Q HN 0.184 nan 8.270 nan 0.000 0.503 310 N N -0.598 118.070 118.700 -0.054 0.000 2.171 310 N HA -0.053 4.687 4.740 -0.001 0.000 0.212 310 N C 1.247 176.702 175.510 -0.091 0.000 1.184 310 N CA 0.319 53.336 53.050 -0.055 0.000 0.888 310 N CB 0.144 38.607 38.487 -0.041 0.000 1.038 310 N HN 0.071 nan 8.380 nan 0.000 0.517 311 V N 0.458 120.281 119.914 -0.152 0.000 2.490 311 V HA -0.039 4.080 4.120 -0.001 0.000 0.250 311 V C 2.212 178.072 176.094 -0.390 0.000 1.061 311 V CA 2.002 64.154 62.300 -0.248 0.000 1.064 311 V CB -0.829 30.830 31.823 -0.273 0.000 0.670 311 V HN 0.437 nan 8.190 nan 0.000 0.461 312 A N -0.199 122.380 122.820 -0.403 0.000 1.898 312 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 312 A C 2.423 180.043 177.584 0.059 0.000 1.181 312 A CA 2.005 53.939 52.037 -0.171 0.000 0.620 312 A CB -0.946 18.077 19.000 0.039 0.000 0.819 312 A HN 0.784 nan 8.150 nan 0.000 0.442 313 A N -0.396 122.433 122.820 0.014 0.000 1.898 313 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 313 A C 2.241 179.859 177.584 0.058 0.000 1.181 313 A CA 1.349 53.414 52.037 0.047 0.000 0.620 313 A CB -0.424 18.589 19.000 0.021 0.000 0.819 313 A HN 0.415 nan 8.150 nan 0.000 0.442 314 R N -0.020 120.505 120.500 0.042 0.000 2.092 314 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 314 R C 2.418 178.748 176.300 0.049 0.000 1.119 314 R CA 1.439 57.618 56.100 0.133 0.000 0.970 314 R CB -0.897 29.487 30.300 0.139 0.000 0.864 314 R HN 0.523 nan 8.270 nan 0.000 0.440 315 S N 1.318 117.001 115.700 -0.029 0.000 2.368 315 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 315 S C 1.421 175.889 174.600 -0.220 0.000 1.030 315 S CA 1.549 59.642 58.200 -0.178 0.000 0.999 315 S CB -0.295 62.942 63.200 0.061 0.000 0.844 315 S HN 0.301 nan 8.310 nan 0.000 0.459 316 D N 1.204 121.672 120.400 0.114 0.000 2.126 316 D HA -0.113 4.526 4.640 -0.001 0.000 0.190 316 D C 1.886 178.183 176.300 -0.004 0.000 1.001 316 D CA 1.019 55.138 54.000 0.199 0.000 0.841 316 D CB -0.209 40.721 40.800 0.218 0.000 0.949 316 D HN 0.196 nan 8.370 nan 0.000 0.446 317 L N -0.209 120.990 121.223 -0.039 0.000 2.042 317 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 317 L C 2.255 178.939 176.870 -0.310 0.000 1.076 317 L CA 0.663 55.456 54.840 -0.079 0.000 0.749 317 L CB -0.242 41.846 42.059 0.049 0.000 0.893 317 L HN 0.201 nan 8.230 nan 0.000 0.432 318 L N -0.977 119.875 121.223 -0.619 0.000 2.072 318 L HA -0.113 4.226 4.340 -0.001 0.000 0.205 318 L C 2.283 178.455 176.870 -1.163 0.000 1.079 318 L CA 1.467 55.611 54.840 -1.160 0.000 0.752 318 L CB -0.298 40.762 42.059 -1.664 0.000 0.906 318 L HN -0.087 nan 8.230 nan 0.000 0.436 319 V N -0.022 119.344 119.914 -0.914 0.000 2.407 319 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 319 V C 2.297 178.229 176.094 -0.269 0.000 1.055 319 V CA 1.908 63.835 62.300 -0.622 0.000 1.049 319 V CB -0.768 30.688 31.823 -0.611 0.000 0.662 319 V HN 0.581 nan 8.190 nan 0.000 0.455 320 D N -0.736 119.566 120.400 -0.163 0.000 2.123 320 D HA -0.210 4.429 4.640 -0.001 0.000 0.196 320 D C 2.233 178.512 176.300 -0.035 0.000 0.992 320 D CA 1.196 55.207 54.000 0.018 0.000 0.833 320 D CB -0.007 40.859 40.800 0.110 0.000 0.954 320 D HN 0.296 nan 8.370 nan 0.000 0.455 321 Q N -0.522 119.190 119.800 -0.148 0.000 2.050 321 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 321 Q C 2.138 178.164 176.000 0.043 0.000 0.980 321 Q CA 0.991 56.735 55.803 -0.098 0.000 0.840 321 Q CB -0.598 28.020 28.738 -0.201 0.000 0.898 321 Q HN 0.552 nan 8.270 nan 0.000 0.424 322 W N 1.486 122.688 121.300 -0.164 0.000 2.338 322 W HA -0.103 4.556 4.660 -0.001 0.000 0.304 322 W C 2.103 178.517 176.519 -0.176 0.000 1.212 322 W CA 0.770 58.020 57.345 -0.159 0.000 1.264 322 W CB -0.646 28.692 29.460 -0.204 0.000 1.142 322 W HN 0.210 nan 8.180 nan 0.000 0.512 323 K N 0.098 120.471 120.400 -0.045 0.000 2.148 323 K HA -0.133 4.187 4.320 -0.001 0.000 0.204 323 K C 1.943 178.399 176.600 -0.240 0.000 1.050 323 K CA 1.171 57.277 56.287 -0.302 0.000 0.942 323 K CB -0.195 31.790 32.500 -0.859 0.000 0.724 323 K HN 0.075 nan 8.250 nan 0.000 0.446 324 K N 0.994 121.343 120.400 -0.085 0.000 2.025 324 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 324 K C 2.094 178.771 176.600 0.128 0.000 1.049 324 K CA 1.191 57.555 56.287 0.128 0.000 0.933 324 K CB -0.009 32.577 32.500 0.143 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.791 121.272 120.400 0.134 0.000 2.103 325 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 325 K C 1.999 178.726 176.600 0.212 0.000 1.048 325 K CA 1.335 57.729 56.287 0.178 0.000 0.930 325 K CB -0.098 32.525 32.500 0.204 0.000 0.716 325 K HN 0.148 nan 8.250 nan 0.000 0.444 326 A N 1.048 123.972 122.820 0.173 0.000 2.067 326 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 326 A C 1.688 179.443 177.584 0.285 0.000 1.158 326 A CA 1.205 53.381 52.037 0.231 0.000 0.661 326 A CB -0.290 18.798 19.000 0.146 0.000 0.801 326 A HN 0.289 nan 8.150 nan 0.000 0.452 327 E N 0.034 120.379 120.200 0.241 0.000 2.333 327 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 327 E C 1.560 178.290 176.600 0.216 0.000 1.007 327 E CA 0.651 57.203 56.400 0.254 0.000 0.845 327 E CB -0.224 29.650 29.700 0.291 0.000 0.766 327 E HN 0.719 nan 8.360 nan 0.000 0.507 328 L N -0.709 120.598 121.223 0.140 0.000 2.591 328 L HA 0.053 4.393 4.340 -0.001 0.000 0.228 328 L C 0.171 176.833 176.870 -0.347 0.000 1.133 328 L CA 0.230 55.017 54.840 -0.088 0.000 0.880 328 L CB -0.033 41.854 42.059 -0.287 0.000 1.033 328 L HN 0.003 nan 8.230 nan 0.000 0.450 329 Y N -1.744 118.643 120.300 0.146 0.000 2.634 329 Y HA 0.372 4.922 4.550 -0.001 0.000 0.340 329 Y C 1.082 177.101 175.900 0.199 0.000 1.058 329 Y CA -0.954 57.253 58.100 0.178 0.000 1.081 329 Y CB 1.313 39.888 38.460 0.191 0.000 1.295 329 Y HN -0.292 nan 8.280 nan 0.000 0.487 330 R N -0.522 120.223 120.500 0.408 0.000 2.265 330 R HA 0.085 4.425 4.340 -0.001 0.000 0.194 330 R C 0.324 176.757 176.300 0.223 0.000 0.931 330 R CA 0.763 57.009 56.100 0.244 0.000 1.032 330 R CB 0.315 30.692 30.300 0.128 0.000 0.980 330 R HN 0.750 nan 8.270 nan 0.000 0.497 331 T N -0.906 113.822 114.554 0.289 0.000 2.922 331 T HA 0.105 4.454 4.350 -0.001 0.000 0.281 331 T C 0.612 175.459 174.700 0.245 0.000 1.005 331 T CA -0.951 61.285 62.100 0.227 0.000 0.982 331 T CB 1.251 70.231 68.868 0.186 0.000 1.158 331 T HN 0.070 nan 8.240 nan 0.000 0.566 332 N N 0.076 118.895 118.700 0.198 0.000 2.322 332 N HA 0.127 4.866 4.740 -0.001 0.000 0.216 332 N C -0.641 174.855 175.510 -0.023 0.000 1.144 332 N CA -0.349 52.779 53.050 0.130 0.000 0.830 332 N CB -0.228 38.246 38.487 -0.020 0.000 1.034 332 N HN 0.380 nan 8.380 nan 0.000 0.484 333 V N 1.237 121.170 119.914 0.032 0.000 2.409 333 V HA 0.416 4.536 4.120 -0.001 0.000 0.291 333 V C -0.632 175.542 176.094 0.133 0.000 1.020 333 V CA -0.974 61.345 62.300 0.032 0.000 0.848 333 V CB 1.506 33.326 31.823 -0.005 0.000 0.990 333 V HN 0.167 nan 8.190 nan 0.000 0.430 334 L N 5.685 126.928 121.223 0.034 0.000 2.341 334 L HA 0.692 5.031 4.340 -0.001 0.000 0.278 334 L C -0.867 175.870 176.870 -0.222 0.000 1.005 334 L CA -0.518 54.265 54.840 -0.095 0.000 0.818 334 L CB 1.709 43.605 42.059 -0.271 0.000 1.259 334 L HN 0.625 nan 8.230 nan 0.000 0.418 335 L N 6.246 127.130 121.223 -0.565 0.000 2.265 335 L HA 0.547 4.887 4.340 -0.001 0.000 0.288 335 L C -0.988 175.591 176.870 -0.484 0.000 1.058 335 L CA 0.151 54.492 54.840 -0.832 0.000 0.809 335 L CB 0.744 41.817 42.059 -1.643 0.000 1.179 335 L HN 0.431 nan 8.230 nan 0.000 0.429 336 I N 7.434 127.801 120.570 -0.338 0.000 2.502 336 I HA 0.330 4.500 4.170 -0.001 0.000 0.276 336 I C -2.271 173.824 176.117 -0.037 0.000 1.057 336 I CA -2.033 59.161 61.300 -0.176 0.000 1.163 336 I CB 0.952 38.819 38.000 -0.221 0.000 1.288 336 I HN 0.423 nan 8.210 nan 0.000 0.479 337 P HA 0.111 nan 4.420 nan 0.000 0.267 337 P C -0.402 177.077 177.300 0.298 0.000 1.200 337 P CA -0.168 63.061 63.100 0.215 0.000 0.772 337 P CB 0.787 32.647 31.700 0.267 0.000 0.855 338 L N 3.100 124.543 121.223 0.366 0.000 2.454 338 L HA 0.755 5.094 4.340 -0.001 0.000 0.258 338 L C -0.093 176.856 176.870 0.132 0.000 1.025 338 L CA 0.383 55.364 54.840 0.235 0.000 0.901 338 L CB 0.432 42.562 42.059 0.118 0.000 1.210 338 L HN 0.606 nan 8.230 nan 0.000 0.457 339 G N 1.620 110.386 108.800 -0.057 0.000 2.342 339 G HA2 0.483 4.442 3.960 -0.001 0.000 0.297 339 G HA3 0.483 4.442 3.960 -0.001 0.000 0.297 339 G C -2.213 172.585 174.900 -0.171 0.000 1.313 339 G CA -0.252 44.563 45.100 -0.474 0.000 0.830 339 G HN 0.378 nan 8.290 nan 0.000 0.506 340 D N -1.730 118.625 120.400 -0.075 0.000 2.879 340 D HA 0.309 4.948 4.640 -0.001 0.000 0.346 340 D C -1.538 174.909 176.300 0.245 0.000 1.390 340 D CA -0.450 53.686 54.000 0.227 0.000 0.838 340 D CB 1.465 42.359 40.800 0.157 0.000 1.416 340 D HN 0.219 nan 8.370 nan 0.000 0.493 341 D N 0.381 120.991 120.400 0.349 0.000 2.417 341 D HA 0.228 4.868 4.640 -0.001 0.000 0.250 341 D C 0.206 176.694 176.300 0.314 0.000 1.166 341 D CA 0.511 54.716 54.000 0.342 0.000 0.881 341 D CB -0.258 40.852 40.800 0.516 0.000 1.164 341 D HN 0.371 nan 8.370 nan 0.000 0.467 342 F N 0.183 120.212 119.950 0.132 0.000 3.079 342 F HA -0.316 4.211 4.527 -0.001 0.000 0.274 342 F C 1.136 176.980 175.800 0.073 0.000 0.940 342 F CA 0.546 58.595 58.000 0.081 0.000 0.932 342 F CB -0.780 38.261 39.000 0.068 0.000 0.891 342 F HN 0.215 nan 8.300 nan 0.000 0.722 343 R N -0.349 120.243 120.500 0.153 0.000 2.652 343 R HA 0.448 4.787 4.340 -0.001 0.000 0.271 343 R C 0.711 177.045 176.300 0.056 0.000 1.129 343 R CA -0.654 55.424 56.100 -0.038 0.000 1.200 343 R CB -0.075 30.099 30.300 -0.211 0.000 1.146 343 R HN 0.248 nan 8.270 nan 0.000 0.581 344 F N -0.715 119.056 119.950 -0.299 0.000 3.040 344 F HA -0.291 4.236 4.527 -0.001 0.000 0.298 344 F C 1.346 177.080 175.800 -0.111 0.000 0.948 344 F CA 0.993 58.597 58.000 -0.661 0.000 1.022 344 F CB -0.888 37.447 39.000 -1.108 0.000 1.023 344 F HN 0.599 nan 8.300 nan 0.000 0.742 345 K N 0.121 120.553 120.400 0.053 0.000 2.102 345 K HA 0.066 4.386 4.320 -0.001 0.000 0.208 345 K C 0.685 177.413 176.600 0.213 0.000 1.027 345 K CA 0.559 56.953 56.287 0.178 0.000 0.958 345 K CB 0.165 32.733 32.500 0.113 0.000 0.819 345 K HN 0.259 nan 8.250 nan 0.000 0.453 346 Q N 1.575 121.461 119.800 0.144 0.000 2.373 346 Q HA 0.072 4.412 4.340 -0.001 0.000 0.255 346 Q C 0.644 176.809 176.000 0.274 0.000 0.980 346 Q CA -0.043 55.870 55.803 0.183 0.000 0.882 346 Q CB 0.872 29.756 28.738 0.243 0.000 1.249 346 Q HN 0.274 nan 8.270 nan 0.000 0.438 347 N N 0.684 119.518 118.700 0.224 0.000 2.104 347 N HA -0.171 4.568 4.740 -0.001 0.000 0.190 347 N C 1.440 177.091 175.510 0.235 0.000 1.024 347 N CA 1.967 55.151 53.050 0.224 0.000 0.853 347 N CB -0.364 38.207 38.487 0.140 0.000 1.008 347 N HN 0.779 nan 8.380 nan 0.000 0.424 348 T N -1.049 113.641 114.554 0.227 0.000 2.833 348 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 348 T C 1.711 176.596 174.700 0.309 0.000 1.054 348 T CA 1.176 63.434 62.100 0.264 0.000 1.135 348 T CB -0.118 68.896 68.868 0.243 0.000 0.869 348 T HN 0.350 nan 8.240 nan 0.000 0.466 349 E N -0.195 120.133 120.200 0.214 0.000 2.072 349 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 349 E C 1.821 178.313 176.600 -0.180 0.000 0.982 349 E CA 0.694 56.985 56.400 -0.182 0.000 0.803 349 E CB -0.257 29.170 29.700 -0.456 0.000 0.755 349 E HN 0.702 nan 8.360 nan 0.000 0.453 350 W N 1.759 122.955 121.300 -0.174 0.000 2.335 350 W HA -0.200 4.459 4.660 -0.001 0.000 0.311 350 W C 2.126 178.499 176.519 -0.243 0.000 1.213 350 W CA 1.325 58.478 57.345 -0.320 0.000 1.274 350 W CB -0.253 28.667 29.460 -0.899 0.000 1.148 350 W HN 0.186 nan 8.180 nan 0.000 0.498 351 D N -0.649 119.844 120.400 0.155 0.000 2.117 351 D HA -0.160 4.480 4.640 -0.001 0.000 0.198 351 D C 2.284 178.685 176.300 0.168 0.000 0.982 351 D CA 1.333 55.485 54.000 0.252 0.000 0.828 351 D CB -0.910 40.034 40.800 0.239 0.000 0.967 351 D HN 0.019 nan 8.370 nan 0.000 0.464 352 V N 0.941 120.931 119.914 0.127 0.000 2.427 352 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 352 V C 2.220 178.353 176.094 0.066 0.000 1.051 352 V CA 1.507 63.861 62.300 0.091 0.000 1.048 352 V CB -0.055 31.865 31.823 0.162 0.000 0.666 352 V HN 0.141 nan 8.190 nan 0.000 0.456 353 Q N -0.271 119.602 119.800 0.121 0.000 2.020 353 Q HA -0.197 4.142 4.340 -0.001 0.000 0.198 353 Q C 2.339 178.553 176.000 0.357 0.000 0.974 353 Q CA 1.956 57.934 55.803 0.292 0.000 0.829 353 Q CB -0.489 28.383 28.738 0.224 0.000 0.894 353 Q HN 0.613 nan 8.270 nan 0.000 0.433 354 R N 0.396 121.080 120.500 0.307 0.000 2.073 354 R HA -0.100 4.240 4.340 -0.001 0.000 0.234 354 R C 2.229 178.717 176.300 0.313 0.000 1.134 354 R CA 1.351 57.689 56.100 0.398 0.000 0.952 354 R CB -0.065 30.477 30.300 0.403 0.000 0.850 354 R HN 0.059 nan 8.270 nan 0.000 0.433 355 V N 1.821 121.834 119.914 0.165 0.000 2.427 355 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 355 V C 1.951 177.994 176.094 -0.085 0.000 1.051 355 V CA 1.703 64.041 62.300 0.063 0.000 1.048 355 V CB -0.549 31.300 31.823 0.043 0.000 0.666 355 V HN 0.430 nan 8.190 nan 0.000 0.456 356 N N -0.661 117.879 118.700 -0.267 0.000 2.171 356 N HA -0.142 4.598 4.740 -0.001 0.000 0.184 356 N C 1.858 177.060 175.510 -0.514 0.000 1.021 356 N CA 1.513 54.193 53.050 -0.617 0.000 0.854 356 N CB -0.284 37.239 38.487 -1.606 0.000 0.994 356 N HN 0.510 nan 8.380 nan 0.000 0.426 357 Y N 2.005 122.113 120.300 -0.321 0.000 2.224 357 Y HA -0.095 4.454 4.550 -0.001 0.000 0.289 357 Y C 2.379 177.778 175.900 -0.836 0.000 1.146 357 Y CA 1.095 58.869 58.100 -0.543 0.000 1.182 357 Y CB -0.081 38.164 38.460 -0.359 0.000 0.983 357 Y HN 0.136 nan 8.280 nan 0.000 0.524 358 E N -0.222 119.854 120.200 -0.206 0.000 2.085 358 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 358 E C 2.227 178.778 176.600 -0.081 0.000 0.994 358 E CA 1.135 57.487 56.400 -0.079 0.000 0.801 358 E CB -0.137 29.637 29.700 0.123 0.000 0.743 358 E HN 0.465 nan 8.360 nan 0.000 0.453 359 R N 0.338 120.769 120.500 -0.116 0.000 2.081 359 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 359 R C 2.486 178.752 176.300 -0.057 0.000 1.131 359 R CA 0.987 57.044 56.100 -0.071 0.000 0.960 359 R CB -0.327 29.912 30.300 -0.103 0.000 0.856 359 R HN 0.163 nan 8.270 nan 0.000 0.436 360 L N -0.418 120.702 121.223 -0.172 0.000 2.017 360 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 360 L C 2.261 179.167 176.870 0.061 0.000 1.073 360 L CA 1.545 56.318 54.840 -0.112 0.000 0.745 360 L CB -0.449 41.453 42.059 -0.263 0.000 0.894 360 L HN 0.167 nan 8.230 nan 0.000 0.432 361 F N -0.161 119.798 119.950 0.016 0.000 2.171 361 F HA -0.229 4.298 4.527 -0.001 0.000 0.300 361 F C 2.708 178.512 175.800 0.007 0.000 1.090 361 F CA 0.924 58.922 58.000 -0.003 0.000 1.293 361 F CB -0.201 38.757 39.000 -0.071 0.000 1.013 361 F HN 0.188 nan 8.300 nan 0.000 0.486 362 E N 0.107 120.432 120.200 0.208 0.000 2.077 362 E HA -0.308 4.042 4.350 -0.001 0.000 0.193 362 E C 1.976 178.658 176.600 0.135 0.000 0.989 362 E CA 1.586 58.070 56.400 0.141 0.000 0.800 362 E CB -0.195 29.573 29.700 0.113 0.000 0.746 362 E HN 0.488 nan 8.360 nan 0.000 0.452 363 H N 0.263 119.377 119.070 0.073 0.000 2.299 363 H HA -0.055 4.501 4.556 -0.001 0.000 0.302 363 H C 2.080 177.487 175.328 0.131 0.000 1.078 363 H CA 2.221 58.325 56.048 0.093 0.000 1.323 363 H CB -0.173 29.639 29.762 0.083 0.000 1.381 363 H HN 0.151 nan 8.280 nan 0.000 0.498 364 I N 0.427 121.066 120.570 0.115 0.000 2.163 364 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 364 I C 1.662 177.804 176.117 0.041 0.000 1.085 364 I CA 1.386 62.703 61.300 0.029 0.000 1.347 364 I CB -0.303 37.644 38.000 -0.089 0.000 1.044 364 I HN 0.366 nan 8.210 nan 0.000 0.408 365 N N 0.295 119.011 118.700 0.026 0.000 2.459 365 N HA -0.097 4.643 4.740 -0.001 0.000 0.181 365 N C 1.821 177.314 175.510 -0.028 0.000 1.046 365 N CA 1.427 54.468 53.050 -0.015 0.000 0.904 365 N CB -0.190 38.281 38.487 -0.027 0.000 0.964 365 N HN 0.406 nan 8.380 nan 0.000 0.444 366 S N -1.016 114.660 115.700 -0.040 0.000 2.517 366 S HA 0.148 4.618 4.470 -0.001 0.000 0.214 366 S C 0.539 175.082 174.600 -0.096 0.000 0.991 366 S CA -0.170 57.996 58.200 -0.055 0.000 0.906 366 S CB 0.318 63.496 63.200 -0.037 0.000 0.789 366 S HN -0.020 nan 8.310 nan 0.000 0.513 367 Q N 1.222 120.936 119.800 -0.143 0.000 2.430 367 Q HA 0.549 4.889 4.340 -0.001 0.000 0.245 367 Q C 0.813 176.661 176.000 -0.252 0.000 1.021 367 Q CA 0.073 55.742 55.803 -0.223 0.000 0.867 367 Q CB 1.353 29.845 28.738 -0.410 0.000 1.210 367 Q HN 0.430 nan 8.270 nan 0.000 0.487 368 A N 2.669 125.409 122.820 -0.134 0.000 2.024 368 A HA -0.251 4.069 4.320 -0.001 0.000 0.220 368 A C 1.561 179.071 177.584 -0.124 0.000 1.164 368 A CA 2.041 54.021 52.037 -0.095 0.000 0.643 368 A CB -0.684 18.290 19.000 -0.043 0.000 0.806 368 A HN 0.879 nan 8.150 nan 0.000 0.451 369 H N -3.398 115.583 119.070 -0.148 0.000 2.518 369 H HA 0.017 4.572 4.556 -0.001 0.000 0.289 369 H C 1.461 176.714 175.328 -0.124 0.000 1.051 369 H CA 1.406 57.357 56.048 -0.162 0.000 1.280 369 H CB -0.710 28.902 29.762 -0.251 0.000 1.380 369 H HN 0.507 nan 8.280 nan 0.000 0.566 370 F N 0.947 120.622 119.950 -0.458 0.000 2.367 370 F HA -0.029 4.497 4.527 -0.001 0.000 0.298 370 F C 0.662 176.418 175.800 -0.074 0.000 1.094 370 F CA 0.272 58.149 58.000 -0.205 0.000 1.409 370 F CB 0.008 38.856 39.000 -0.254 0.000 1.064 370 F HN 0.127 nan 8.300 nan 0.000 0.528 371 N N 0.824 119.575 118.700 0.085 0.000 2.727 371 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 371 N C -1.094 174.407 175.510 -0.015 0.000 1.048 371 N CA 0.396 53.475 53.050 0.049 0.000 0.714 371 N CB -1.515 37.043 38.487 0.119 0.000 0.959 371 N HN 0.036 nan 8.380 nan 0.000 0.544 372 V N 0.568 120.468 119.914 -0.023 0.000 2.735 372 V HA 0.401 4.520 4.120 -0.001 0.000 0.310 372 V C 0.168 176.183 176.094 -0.131 0.000 1.061 372 V CA -0.670 61.563 62.300 -0.112 0.000 0.913 372 V CB 2.457 34.248 31.823 -0.054 0.000 1.005 372 V HN 0.178 nan 8.190 nan 0.000 0.428 373 Q N 3.055 122.720 119.800 -0.225 0.000 2.339 373 Q HA 0.763 5.102 4.340 -0.001 0.000 0.268 373 Q C -0.827 174.924 176.000 -0.414 0.000 1.027 373 Q CA -0.141 55.506 55.803 -0.261 0.000 0.759 373 Q CB 1.667 30.256 28.738 -0.249 0.000 1.244 373 Q HN 0.997 nan 8.270 nan 0.000 0.464 374 A N 4.314 126.879 122.820 -0.426 0.000 2.355 374 A HA 0.889 5.209 4.320 -0.001 0.000 0.324 374 A C -1.271 175.648 177.584 -1.108 0.000 1.117 374 A CA -0.531 51.088 52.037 -0.697 0.000 0.785 374 A CB 1.265 20.052 19.000 -0.354 0.000 1.254 374 A HN 0.809 nan 8.150 nan 0.000 0.453 375 Q N 0.874 119.905 119.800 -1.282 0.000 2.578 375 Q HA 0.535 4.874 4.340 -0.001 0.000 0.284 375 Q C -1.566 173.982 176.000 -0.753 0.000 0.960 375 Q CA -0.767 54.321 55.803 -1.193 0.000 0.809 375 Q CB 0.833 29.242 28.738 -0.548 0.000 1.462 375 Q HN 0.488 nan 8.270 nan 0.000 0.392 376 F N 0.405 120.243 119.950 -0.186 0.000 2.518 376 F HA 0.559 5.086 4.527 -0.001 0.000 0.359 376 F C 1.204 177.039 175.800 0.059 0.000 1.118 376 F CA 1.178 59.206 58.000 0.048 0.000 1.287 376 F CB 1.025 40.116 39.000 0.152 0.000 1.132 376 F HN 0.748 nan 8.300 nan 0.000 0.587 377 G N 0.539 109.514 108.800 0.292 0.000 2.687 377 G HA2 0.578 4.538 3.960 -0.001 0.000 0.291 377 G HA3 0.578 4.538 3.960 -0.001 0.000 0.291 377 G C -1.192 173.718 174.900 0.017 0.000 1.420 377 G CA -0.719 44.502 45.100 0.202 0.000 0.796 377 G HN 0.663 nan 8.290 nan 0.000 0.485 378 T N -1.889 112.602 114.554 -0.106 0.000 2.937 378 T HA 0.474 4.824 4.350 -0.001 0.000 0.283 378 T C 1.280 175.835 174.700 -0.241 0.000 1.012 378 T CA -0.454 61.541 62.100 -0.175 0.000 0.997 378 T CB 1.532 70.311 68.868 -0.149 0.000 1.136 378 T HN 0.590 nan 8.240 nan 0.000 0.551 379 L N 0.518 121.595 121.223 -0.242 0.000 2.046 379 L HA 0.037 4.376 4.340 -0.001 0.000 0.208 379 L C 2.749 179.582 176.870 -0.063 0.000 1.077 379 L CA 1.969 56.693 54.840 -0.193 0.000 0.747 379 L CB -1.124 40.860 42.059 -0.125 0.000 0.896 379 L HN 0.893 nan 8.230 nan 0.000 0.432 380 Q N -0.077 119.714 119.800 -0.014 0.000 2.124 380 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 380 Q C 2.058 177.997 176.000 -0.102 0.000 0.977 380 Q CA 1.919 57.746 55.803 0.040 0.000 0.850 380 Q CB -0.156 28.579 28.738 -0.005 0.000 0.901 380 Q HN 0.636 nan 8.270 nan 0.000 0.429 381 E N -1.137 118.914 120.200 -0.248 0.000 2.077 381 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 381 E C 1.698 177.855 176.600 -0.738 0.000 0.989 381 E CA 1.210 57.336 56.400 -0.457 0.000 0.800 381 E CB -0.327 29.040 29.700 -0.555 0.000 0.746 381 E HN 0.482 nan 8.360 nan 0.000 0.452 382 Y N 0.647 120.415 120.300 -0.888 0.000 2.070 382 Y HA -0.271 4.278 4.550 -0.001 0.000 0.280 382 Y C 1.899 177.493 175.900 -0.510 0.000 1.148 382 Y CA 1.739 59.346 58.100 -0.822 0.000 1.125 382 Y CB -0.653 37.359 38.460 -0.747 0.000 0.975 382 Y HN -0.040 nan 8.280 nan 0.000 0.492 383 F N 0.580 120.273 119.950 -0.428 0.000 2.134 383 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 383 F C 2.229 177.801 175.800 -0.379 0.000 1.097 383 F CA 1.252 58.977 58.000 -0.458 0.000 1.264 383 F CB -0.314 38.612 39.000 -0.123 0.000 1.001 383 F HN 0.101 nan 8.300 nan 0.000 0.479 384 D N 0.332 120.682 120.400 -0.083 0.000 2.123 384 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 384 D C 2.271 178.491 176.300 -0.134 0.000 0.992 384 D CA 1.443 55.401 54.000 -0.071 0.000 0.833 384 D CB -0.540 40.206 40.800 -0.090 0.000 0.954 384 D HN 0.259 nan 8.370 nan 0.000 0.455 385 A N 0.435 123.112 122.820 -0.238 0.000 1.930 385 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 385 A C 2.509 179.965 177.584 -0.214 0.000 1.175 385 A CA 0.858 52.800 52.037 -0.158 0.000 0.627 385 A CB -0.597 18.372 19.000 -0.050 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.139 119.509 119.914 -0.443 0.000 2.343 386 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 386 V C 2.401 178.304 176.094 -0.319 0.000 1.051 386 V CA 2.110 64.148 62.300 -0.437 0.000 1.036 386 V CB -0.993 30.384 31.823 -0.744 0.000 0.654 386 V HN 0.650 nan 8.190 nan 0.000 0.451 387 H N -0.360 118.591 119.070 -0.198 0.000 2.470 387 H HA -0.048 4.507 4.556 -0.001 0.000 0.289 387 H C 2.409 177.700 175.328 -0.062 0.000 1.033 387 H CA 1.208 57.173 56.048 -0.139 0.000 1.331 387 H CB -0.033 29.610 29.762 -0.199 0.000 1.414 387 H HN 0.546 nan 8.280 nan 0.000 0.545 388 Q N 0.380 120.197 119.800 0.029 0.000 2.084 388 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 388 Q C 2.541 178.559 176.000 0.030 0.000 0.978 388 Q CA 1.455 57.271 55.803 0.022 0.000 0.844 388 Q CB -0.016 28.723 28.738 0.002 0.000 0.898 388 Q HN 0.405 nan 8.270 nan 0.000 0.426 389 A N 0.948 123.780 122.820 0.021 0.000 1.902 389 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 389 A C 1.944 179.560 177.584 0.053 0.000 1.181 389 A CA 1.591 53.655 52.037 0.045 0.000 0.623 389 A CB -0.521 18.510 19.000 0.052 0.000 0.818 389 A HN 0.450 nan 8.150 nan 0.000 0.443 390 E N -0.203 120.044 120.200 0.079 0.000 2.077 390 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 390 E C 2.219 178.859 176.600 0.068 0.000 0.989 390 E CA 1.006 57.461 56.400 0.092 0.000 0.800 390 E CB -0.132 29.731 29.700 0.272 0.000 0.746 390 E HN 0.581 nan 8.360 nan 0.000 0.452 391 R N -0.197 120.345 120.500 0.071 0.000 2.120 391 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 391 R C 2.126 178.445 176.300 0.032 0.000 1.123 391 R CA 0.904 57.031 56.100 0.046 0.000 0.975 391 R CB -0.159 30.163 30.300 0.037 0.000 0.866 391 R HN 0.126 nan 8.270 nan 0.000 0.446 392 A N 0.220 123.060 122.820 0.034 0.000 2.235 392 A HA 0.156 4.476 4.320 -0.001 0.000 0.208 392 A C 1.355 178.953 177.584 0.023 0.000 1.172 392 A CA 0.799 52.854 52.037 0.030 0.000 0.786 392 A CB -0.243 18.782 19.000 0.041 0.000 0.804 392 A HN 0.458 nan 8.150 nan 0.000 0.479 393 G N -0.295 108.515 108.800 0.017 0.000 2.143 393 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.248 393 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.248 393 G C 0.710 175.605 174.900 -0.009 0.000 0.991 393 G CA 0.721 45.822 45.100 0.001 0.000 0.689 393 G HN 0.947 nan 8.290 nan 0.000 0.522 394 Q N -0.985 118.818 119.800 0.004 0.000 2.435 394 Q HA 0.612 4.952 4.340 -0.001 0.000 0.207 394 Q C 1.012 176.987 176.000 -0.041 0.000 0.956 394 Q CA 1.321 57.128 55.803 0.007 0.000 0.917 394 Q CB 0.229 29.013 28.738 0.076 0.000 0.997 394 Q HN 1.674 nan 8.270 nan 0.000 0.497 395 A N 0.472 123.220 122.820 -0.120 0.000 2.604 395 A HA 0.572 4.892 4.320 -0.001 0.000 0.295 395 A C -1.875 175.480 177.584 -0.382 0.000 1.067 395 A CA -0.755 51.113 52.037 -0.282 0.000 0.683 395 A CB 1.813 20.556 19.000 -0.428 0.000 1.281 395 A HN 0.196 nan 8.150 nan 0.000 0.407 396 E N 1.186 121.154 120.200 -0.388 0.000 2.241 396 E HA 0.635 4.984 4.350 -0.001 0.000 0.263 396 E C -1.710 174.750 176.600 -0.233 0.000 0.882 396 E CA -0.397 55.846 56.400 -0.262 0.000 0.769 396 E CB 0.973 30.631 29.700 -0.070 0.000 1.185 396 E HN 0.469 nan 8.360 nan 0.000 0.415 397 F N 4.767 124.823 119.950 0.177 0.000 2.379 397 F HA 0.407 4.934 4.527 -0.000 0.000 0.332 397 F C -1.556 174.343 175.800 0.165 0.000 1.096 397 F CA -1.767 56.359 58.000 0.210 0.000 1.105 397 F CB 0.912 40.114 39.000 0.338 0.000 1.189 397 F HN 0.362 nan 8.300 nan 0.000 0.515 398 P HA 0.119 nan 4.420 nan 0.000 0.274 398 P C -0.704 176.736 177.300 0.233 0.000 1.237 398 P CA -0.386 62.846 63.100 0.219 0.000 0.793 398 P CB 0.916 32.713 31.700 0.162 0.000 0.977 399 T N -0.538 114.105 114.554 0.147 0.000 2.907 399 T HA 0.680 5.030 4.350 -0.001 0.000 0.284 399 T C -0.307 174.422 174.700 0.049 0.000 1.004 399 T CA -0.791 61.388 62.100 0.131 0.000 1.063 399 T CB 0.966 69.891 68.868 0.094 0.000 0.992 399 T HN 0.445 nan 8.240 nan 0.000 0.483 400 L N 1.855 123.108 121.223 0.049 0.000 2.445 400 L HA 0.725 5.064 4.340 -0.001 0.000 0.262 400 L C -0.652 176.210 176.870 -0.012 0.000 0.974 400 L CA -0.424 54.335 54.840 -0.135 0.000 0.822 400 L CB 2.196 43.927 42.059 -0.546 0.000 1.339 400 L HN 1.110 nan 8.230 nan 0.000 0.409 401 S N 2.473 118.121 115.700 -0.086 0.000 2.632 401 S HA 1.062 5.531 4.470 -0.001 0.000 0.289 401 S C -0.317 174.210 174.600 -0.122 0.000 1.115 401 S CA -0.028 58.180 58.200 0.013 0.000 0.889 401 S CB 2.065 65.238 63.200 -0.045 0.000 1.116 401 S HN 1.658 nan 8.310 nan 0.000 0.486 402 G N 0.966 109.758 108.800 -0.015 0.000 2.331 402 G HA2 0.320 4.280 3.960 -0.001 0.000 0.479 402 G HA3 0.320 4.280 3.960 -0.001 0.000 0.479 402 G C -1.794 173.014 174.900 -0.152 0.000 1.262 402 G CA -0.011 44.980 45.100 -0.183 0.000 1.029 402 G HN 1.276 nan 8.290 nan 0.000 0.487 403 D N -1.606 118.574 120.400 -0.366 0.000 2.687 403 D HA 0.744 5.383 4.640 -0.001 0.000 0.264 403 D C -0.612 175.202 176.300 -0.811 0.000 1.091 403 D CA -1.081 52.724 54.000 -0.324 0.000 1.123 403 D CB 1.114 41.904 40.800 -0.016 0.000 1.407 403 D HN 0.430 nan 8.370 nan 0.000 0.591 404 F N -0.418 119.407 119.950 -0.207 0.000 2.679 404 F HA 0.408 4.934 4.527 -0.001 0.000 0.354 404 F C -0.790 174.831 175.800 -0.298 0.000 1.423 404 F CA -0.681 57.196 58.000 -0.207 0.000 1.141 404 F CB 0.262 39.170 39.000 -0.153 0.000 1.168 404 F HN -0.003 nan 8.300 nan 0.000 0.530 405 F N -0.708 119.425 119.950 0.305 0.000 2.561 405 F HA 0.519 5.045 4.527 -0.001 0.000 0.321 405 F C 0.600 176.658 175.800 0.429 0.000 1.065 405 F CA -1.196 57.051 58.000 0.411 0.000 0.934 405 F CB 1.768 41.006 39.000 0.396 0.000 1.215 405 F HN -0.272 nan 8.300 nan 0.000 0.471 406 T N 1.551 116.486 114.554 0.636 0.000 2.806 406 T HA 0.108 4.458 4.350 -0.001 0.000 0.290 406 T C -0.881 174.288 174.700 0.781 0.000 0.966 406 T CA -0.200 62.343 62.100 0.737 0.000 1.060 406 T CB 0.113 69.281 68.868 0.501 0.000 0.927 406 T HN 0.350 nan 8.240 nan 0.000 0.485 407 Y N 3.191 123.823 120.300 0.554 0.000 2.610 407 Y HA 0.386 4.935 4.550 -0.001 0.000 0.332 407 Y C -0.090 175.871 175.900 0.100 0.000 1.201 407 Y CA -1.153 57.098 58.100 0.251 0.000 1.465 407 Y CB 0.000 38.480 38.460 0.034 0.000 1.283 407 Y HN 0.679 nan 8.280 nan 0.000 0.563 408 A N 5.271 127.730 122.820 -0.601 0.000 2.356 408 A HA 0.388 4.708 4.320 -0.001 0.000 0.310 408 A C 0.012 177.055 177.584 -0.901 0.000 1.075 408 A CA -0.273 51.221 52.037 -0.904 0.000 0.746 408 A CB 0.692 18.872 19.000 -1.367 0.000 1.221 408 A HN 0.796 nan 8.150 nan 0.000 0.443 409 D N 1.422 121.402 120.400 -0.699 0.000 2.346 409 D HA 0.061 4.700 4.640 -0.001 0.000 0.206 409 D C 0.535 176.835 176.300 -0.001 0.000 1.001 409 D CA 0.526 54.341 54.000 -0.308 0.000 0.871 409 D CB 0.145 40.850 40.800 -0.159 0.000 0.943 409 D HN 0.719 nan 8.370 nan 0.000 0.518 410 R N -2.301 118.139 120.500 -0.100 0.000 2.709 410 R HA 0.430 4.769 4.340 -0.001 0.000 0.270 410 R C -0.170 176.020 176.300 -0.184 0.000 1.038 410 R CA -0.251 55.638 56.100 -0.352 0.000 0.872 410 R CB 0.856 31.026 30.300 -0.216 0.000 1.259 410 R HN -0.108 nan 8.270 nan 0.000 0.473 411 S N 0.212 115.766 115.700 -0.243 0.000 3.938 411 S HA -0.288 4.182 4.470 -0.001 0.000 0.624 411 S C 0.383 175.056 174.600 0.122 0.000 2.186 411 S CA 1.903 60.098 58.200 -0.009 0.000 4.144 411 S CB -1.084 62.092 63.200 -0.040 0.000 0.230 411 S HN 1.092 nan 8.310 nan 0.000 0.755 412 D N 1.441 121.900 120.400 0.099 0.000 2.427 412 D HA 0.196 4.835 4.640 -0.001 0.000 0.224 412 D C 0.018 176.411 176.300 0.155 0.000 1.157 412 D CA -0.136 53.982 54.000 0.197 0.000 0.828 412 D CB -1.431 39.474 40.800 0.175 0.000 0.974 412 D HN 0.501 nan 8.370 nan 0.000 0.498 413 N N 0.945 119.640 118.700 -0.008 0.000 2.807 413 N HA 0.060 4.799 4.740 -0.001 0.000 0.259 413 N C -0.945 174.569 175.510 0.006 0.000 1.149 413 N CA -0.330 52.718 53.050 -0.003 0.000 1.042 413 N CB 0.194 38.664 38.487 -0.028 0.000 1.367 413 N HN 0.134 nan 8.380 nan 0.000 0.516 414 Y N 0.255 120.631 120.300 0.126 0.000 2.316 414 Y HA 0.118 4.667 4.550 -0.001 0.000 0.331 414 Y C 0.103 176.183 175.900 0.300 0.000 1.083 414 Y CA -0.652 57.587 58.100 0.231 0.000 1.206 414 Y CB 0.607 39.154 38.460 0.146 0.000 1.195 414 Y HN 0.408 nan 8.280 nan 0.000 0.497 415 W N 2.400 123.816 121.300 0.194 0.000 1.809 415 W HA 0.224 4.884 4.660 -0.001 0.000 0.399 415 W C 0.860 177.415 176.519 0.061 0.000 0.636 415 W CA -0.617 56.872 57.345 0.240 0.000 2.178 415 W CB -0.510 29.190 29.460 0.401 0.000 1.632 415 W HN 0.546 nan 8.180 nan 0.000 0.470 416 S N -2.090 113.638 115.700 0.046 0.000 2.535 416 S HA 0.124 4.593 4.470 -0.001 0.000 0.214 416 S C 1.951 176.281 174.600 -0.451 0.000 0.980 416 S CA 0.350 58.218 58.200 -0.554 0.000 0.907 416 S CB 0.155 63.356 63.200 0.001 0.000 0.790 416 S HN 0.335 nan 8.310 nan 0.000 0.510 417 G N 1.931 110.663 108.800 -0.113 0.000 2.408 417 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 417 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 417 G C 1.236 176.108 174.900 -0.046 0.000 1.150 417 G CA 0.843 45.884 45.100 -0.099 0.000 0.776 417 G HN 0.810 nan 8.290 nan 0.000 0.542 418 Y N -1.083 119.182 120.300 -0.058 0.000 2.578 418 Y HA 0.224 4.774 4.550 -0.001 0.000 0.297 418 Y C 1.919 177.935 175.900 0.193 0.000 1.176 418 Y CA -0.203 57.943 58.100 0.077 0.000 1.315 418 Y CB -0.511 38.077 38.460 0.213 0.000 1.031 418 Y HN 0.321 nan 8.280 nan 0.000 0.524 419 Y N 0.251 120.321 120.300 -0.383 0.000 2.574 419 Y HA -0.103 4.447 4.550 -0.001 0.000 0.294 419 Y C 1.435 177.283 175.900 -0.087 0.000 1.142 419 Y CA 0.648 58.568 58.100 -0.301 0.000 1.314 419 Y CB 0.163 38.484 38.460 -0.232 0.000 0.991 419 Y HN 0.260 nan 8.280 nan 0.000 0.555 420 T N -2.270 112.346 114.554 0.104 0.000 2.966 420 T HA 0.053 4.402 4.350 -0.001 0.000 0.254 420 T C 0.622 175.407 174.700 0.142 0.000 0.961 420 T CA -0.158 62.007 62.100 0.108 0.000 0.915 420 T CB 0.169 69.069 68.868 0.054 0.000 1.186 420 T HN -0.090 nan 8.240 nan 0.000 0.505 421 S N 2.379 118.160 115.700 0.136 0.000 2.558 421 S HA 0.241 4.711 4.470 -0.001 0.000 0.291 421 S C 0.368 175.101 174.600 0.221 0.000 1.306 421 S CA -0.050 58.242 58.200 0.153 0.000 1.056 421 S CB 0.133 63.409 63.200 0.128 0.000 0.836 421 S HN 0.395 nan 8.310 nan 0.000 0.504 422 R N 1.037 121.685 120.500 0.246 0.000 3.152 422 R HA -0.117 4.222 4.340 -0.001 0.000 0.252 422 R C -2.087 174.465 176.300 0.421 0.000 0.930 422 R CA 0.640 56.962 56.100 0.370 0.000 0.642 422 R CB -1.755 28.785 30.300 0.400 0.000 1.205 422 R HN 0.499 nan 8.270 nan 0.000 0.452 423 P HA -0.199 nan 4.420 nan 0.000 0.225 423 P C 1.091 178.609 177.300 0.363 0.000 1.156 423 P CA 0.853 64.176 63.100 0.372 0.000 0.787 423 P CB 0.001 31.963 31.700 0.438 0.000 0.802 424 Y N 1.562 121.959 120.300 0.161 0.000 2.165 424 Y HA -0.257 4.292 4.550 -0.001 0.000 0.286 424 Y C 2.242 178.152 175.900 0.016 0.000 1.155 424 Y CA 2.079 60.192 58.100 0.022 0.000 1.164 424 Y CB -0.877 37.459 38.460 -0.206 0.000 0.978 424 Y HN 0.063 nan 8.280 nan 0.000 0.513 425 H N -0.916 118.401 119.070 0.412 0.000 2.470 425 H HA 0.032 4.588 4.556 -0.001 0.000 0.289 425 H C 2.028 177.512 175.328 0.260 0.000 1.033 425 H CA 1.137 57.350 56.048 0.275 0.000 1.331 425 H CB -0.034 29.957 29.762 0.382 0.000 1.414 425 H HN 0.243 nan 8.280 nan 0.000 0.545 426 K N 0.415 121.047 120.400 0.388 0.000 2.057 426 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 426 K C 2.243 178.911 176.600 0.113 0.000 1.049 426 K CA 1.289 57.738 56.287 0.269 0.000 0.931 426 K CB 0.061 32.696 32.500 0.226 0.000 0.714 426 K HN 0.034 nan 8.250 nan 0.000 0.440 427 R N 1.386 121.926 120.500 0.068 0.000 2.075 427 R HA -0.015 4.324 4.340 -0.001 0.000 0.232 427 R C 2.070 178.141 176.300 -0.380 0.000 1.126 427 R CA 1.454 57.522 56.100 -0.053 0.000 0.963 427 R CB -0.417 29.946 30.300 0.105 0.000 0.858 427 R HN 0.163 nan 8.270 nan 0.000 0.435 428 M N 0.254 119.505 119.600 -0.582 0.000 2.149 428 M HA -0.196 4.283 4.480 -0.001 0.000 0.261 428 M C 1.433 177.415 176.300 -0.530 0.000 1.064 428 M CA 2.411 57.111 55.300 -0.999 0.000 1.102 428 M CB -0.306 31.912 32.600 -0.636 0.000 1.369 428 M HN 0.288 nan 8.290 nan 0.000 0.408 429 D N -0.292 119.985 120.400 -0.205 0.000 2.123 429 D HA -0.215 4.425 4.640 -0.001 0.000 0.196 429 D C 1.895 178.122 176.300 -0.122 0.000 0.992 429 D CA 1.396 55.373 54.000 -0.037 0.000 0.833 429 D CB 0.125 41.051 40.800 0.210 0.000 0.954 429 D HN 0.196 nan 8.370 nan 0.000 0.455 430 R N 0.132 120.537 120.500 -0.157 0.000 2.081 430 R HA -0.040 4.300 4.340 -0.001 0.000 0.235 430 R C 2.477 178.637 176.300 -0.234 0.000 1.131 430 R CA 0.588 56.584 56.100 -0.173 0.000 0.960 430 R CB -1.167 29.046 30.300 -0.145 0.000 0.856 430 R HN 0.250 nan 8.270 nan 0.000 0.436 431 V N 1.495 121.199 119.914 -0.350 0.000 2.261 431 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 431 V C 2.378 178.358 176.094 -0.190 0.000 1.047 431 V CA 1.625 63.714 62.300 -0.352 0.000 1.015 431 V CB -0.599 30.811 31.823 -0.688 0.000 0.642 431 V HN 0.146 nan 8.190 nan 0.000 0.446 432 L N -0.450 120.643 121.223 -0.217 0.000 2.141 432 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 432 L C 2.297 179.114 176.870 -0.089 0.000 1.094 432 L CA 1.975 56.759 54.840 -0.093 0.000 0.763 432 L CB -0.670 41.308 42.059 -0.134 0.000 0.908 432 L HN 0.335 nan 8.230 nan 0.000 0.437 433 M N -1.262 118.259 119.600 -0.131 0.000 2.082 433 M HA -0.333 4.146 4.480 -0.001 0.000 0.258 433 M C 2.371 178.571 176.300 -0.166 0.000 1.069 433 M CA 2.445 57.651 55.300 -0.157 0.000 1.102 433 M CB -0.399 32.077 32.600 -0.207 0.000 1.336 433 M HN 0.564 nan 8.290 nan 0.000 0.404 434 H N -0.901 118.009 119.070 -0.267 0.000 2.395 434 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 434 H C 1.440 176.619 175.328 -0.250 0.000 1.070 434 H CA 2.256 58.120 56.048 -0.306 0.000 1.356 434 H CB -0.415 29.088 29.762 -0.431 0.000 1.401 434 H HN 0.562 nan 8.280 nan 0.000 0.524 435 Y N -0.898 119.263 120.300 -0.232 0.000 2.373 435 Y HA -0.117 4.433 4.550 -0.001 0.000 0.293 435 Y C 2.575 178.351 175.900 -0.206 0.000 1.129 435 Y CA 0.599 58.555 58.100 -0.240 0.000 1.226 435 Y CB 0.201 38.590 38.460 -0.118 0.000 1.000 435 Y HN 0.108 nan 8.280 nan 0.000 0.549 436 V N 0.348 120.231 119.914 -0.051 0.000 2.295 436 V HA -0.324 3.796 4.120 -0.001 0.000 0.246 436 V C 2.427 178.456 176.094 -0.109 0.000 1.049 436 V CA 2.140 64.393 62.300 -0.079 0.000 1.024 436 V CB -0.564 31.204 31.823 -0.091 0.000 0.648 436 V HN 0.345 nan 8.190 nan 0.000 0.447 437 R N 0.453 120.857 120.500 -0.160 0.000 2.083 437 R HA -0.201 4.139 4.340 -0.001 0.000 0.237 437 R C 2.233 178.471 176.300 -0.104 0.000 1.137 437 R CA 1.981 57.999 56.100 -0.138 0.000 0.951 437 R CB -0.498 29.706 30.300 -0.161 0.000 0.851 437 R HN 0.467 nan 8.270 nan 0.000 0.434 438 A N 0.516 123.226 122.820 -0.185 0.000 1.930 438 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 438 A C 2.348 179.937 177.584 0.007 0.000 1.175 438 A CA 1.493 53.519 52.037 -0.019 0.000 0.627 438 A CB -0.665 18.297 19.000 -0.064 0.000 0.815 438 A HN 0.572 nan 8.150 nan 0.000 0.443 439 A N -0.155 122.657 122.820 -0.013 0.000 1.898 439 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 439 A C 1.931 179.484 177.584 -0.052 0.000 1.181 439 A CA 1.506 53.529 52.037 -0.023 0.000 0.620 439 A CB -0.448 18.533 19.000 -0.032 0.000 0.819 439 A HN 0.613 nan 8.150 nan 0.000 0.442 440 E N -0.992 119.170 120.200 -0.064 0.000 2.106 440 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 440 E C 2.048 178.593 176.600 -0.092 0.000 0.984 440 E CA 1.261 57.610 56.400 -0.085 0.000 0.806 440 E CB -0.233 29.414 29.700 -0.088 0.000 0.750 440 E HN 0.752 nan 8.360 nan 0.000 0.458 441 M N 0.722 120.291 119.600 -0.051 0.000 2.098 441 M HA -0.131 4.348 4.480 -0.001 0.000 0.262 441 M C 2.157 178.458 176.300 0.002 0.000 1.072 441 M CA 1.304 56.572 55.300 -0.054 0.000 1.133 441 M CB 0.050 32.717 32.600 0.111 0.000 1.344 441 M HN 0.072 nan 8.290 nan 0.000 0.414 442 L N 0.137 121.421 121.223 0.101 0.000 2.079 442 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 442 L C 2.604 179.644 176.870 0.282 0.000 1.081 442 L CA 1.723 56.688 54.840 0.207 0.000 0.752 442 L CB -0.522 41.515 42.059 -0.037 0.000 0.896 442 L HN 0.522 nan 8.230 nan 0.000 0.433 443 S N -1.053 114.727 115.700 0.134 0.000 2.527 443 S HA 0.075 4.545 4.470 -0.001 0.000 0.222 443 S C 1.928 176.694 174.600 0.277 0.000 0.985 443 S CA 0.378 58.724 58.200 0.242 0.000 0.921 443 S CB 0.057 63.206 63.200 -0.086 0.000 0.772 443 S HN 0.297 nan 8.310 nan 0.000 0.529 444 A N 0.835 123.647 122.820 -0.012 0.000 2.066 444 A HA 0.127 4.447 4.320 -0.001 0.000 0.218 444 A C 1.673 179.155 177.584 -0.171 0.000 1.157 444 A CA 0.614 52.549 52.037 -0.171 0.000 0.670 444 A CB -1.131 17.617 19.000 -0.420 0.000 0.804 444 A HN 0.753 nan 8.150 nan 0.000 0.453 445 W N -0.544 120.768 121.300 0.020 0.000 2.392 445 W HA -0.026 4.633 4.660 -0.001 0.000 0.279 445 W C 0.828 177.130 176.519 -0.361 0.000 1.225 445 W CA 0.961 58.216 57.345 -0.151 0.000 1.233 445 W CB -0.138 29.193 29.460 -0.216 0.000 1.122 445 W HN 0.394 nan 8.180 nan 0.000 0.561 446 H N -2.215 116.921 119.070 0.110 0.000 2.731 446 H HA 0.362 4.917 4.556 -0.001 0.000 0.368 446 H C -0.210 175.033 175.328 -0.142 0.000 1.168 446 H CA -0.921 55.038 56.048 -0.147 0.000 1.181 446 H CB 1.544 30.975 29.762 -0.552 0.000 1.743 446 H HN -0.424 nan 8.280 nan 0.000 0.547 447 S N 0.882 116.556 115.700 -0.044 0.000 2.565 447 S HA 0.170 4.639 4.470 -0.001 0.000 0.274 447 S C -1.052 173.448 174.600 -0.168 0.000 1.309 447 S CA -0.504 57.686 58.200 -0.017 0.000 1.043 447 S CB 0.219 63.416 63.200 -0.005 0.000 0.939 447 S HN 0.333 nan 8.310 nan 0.000 0.504 448 W N 1.263 122.561 121.300 -0.003 0.000 2.702 448 W HA 0.342 5.001 4.660 -0.001 0.000 0.331 448 W C -0.017 176.457 176.519 -0.075 0.000 1.049 448 W CA -0.908 56.406 57.345 -0.052 0.000 1.230 448 W CB 0.608 29.998 29.460 -0.117 0.000 1.408 448 W HN 0.585 nan 8.180 nan 0.000 0.492 449 D N 0.768 121.244 120.400 0.125 0.000 2.449 449 D HA 0.141 4.781 4.640 -0.001 0.000 0.236 449 D C 1.642 177.948 176.300 0.009 0.000 1.149 449 D CA 1.171 55.215 54.000 0.073 0.000 0.878 449 D CB 1.160 42.037 40.800 0.130 0.000 1.198 449 D HN 0.572 nan 8.370 nan 0.000 0.446 450 G N 2.892 111.707 108.800 0.025 0.000 2.470 450 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.220 450 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.220 450 G C 1.328 176.213 174.900 -0.025 0.000 1.121 450 G CA 0.342 45.443 45.100 0.002 0.000 0.766 450 G HN 0.488 nan 8.290 nan 0.000 0.553 451 M N 1.020 120.621 119.600 0.002 0.000 2.358 451 M HA 0.024 4.503 4.480 -0.001 0.000 0.264 451 M C 2.793 179.042 176.300 -0.085 0.000 1.064 451 M CA 1.054 56.383 55.300 0.049 0.000 1.093 451 M CB -0.740 31.995 32.600 0.224 0.000 1.401 451 M HN 0.327 nan 8.290 nan 0.000 0.440 452 A N -0.184 122.339 122.820 -0.496 0.000 2.168 452 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 452 A C 1.266 178.657 177.584 -0.322 0.000 1.152 452 A CA 0.438 51.984 52.037 -0.817 0.000 0.716 452 A CB -0.345 17.964 19.000 -1.151 0.000 0.794 452 A HN 0.592 nan 8.150 nan 0.000 0.465 453 R N -1.934 118.450 120.500 -0.193 0.000 3.770 453 R HA -0.180 4.160 4.340 -0.001 0.000 0.305 453 R C 0.684 176.882 176.300 -0.171 0.000 1.184 453 R CA 0.741 56.768 56.100 -0.123 0.000 0.823 453 R CB -2.116 28.145 30.300 -0.065 0.000 1.285 453 R HN 0.469 nan 8.270 nan 0.000 0.499 454 I N 0.634 121.052 120.570 -0.255 0.000 2.163 454 I HA -0.186 3.984 4.170 -0.001 0.000 0.240 454 I C 2.128 178.125 176.117 -0.200 0.000 1.081 454 I CA 1.707 62.810 61.300 -0.329 0.000 1.353 454 I CB -0.713 36.952 38.000 -0.559 0.000 1.054 454 I HN 0.192 nan 8.210 nan 0.000 0.407 455 E N 0.647 120.767 120.200 -0.133 0.000 2.110 455 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 455 E C 2.094 178.648 176.600 -0.077 0.000 0.988 455 E CA 1.133 57.480 56.400 -0.088 0.000 0.804 455 E CB -0.237 29.435 29.700 -0.047 0.000 0.745 455 E HN 0.487 nan 8.360 nan 0.000 0.458 456 E N 0.472 120.631 120.200 -0.070 0.000 2.051 456 E HA -0.249 4.100 4.350 -0.001 0.000 0.192 456 E C 1.924 178.484 176.600 -0.068 0.000 0.991 456 E CA 1.038 57.406 56.400 -0.054 0.000 0.799 456 E CB 0.104 29.779 29.700 -0.042 0.000 0.748 456 E HN -0.029 nan 8.360 nan 0.000 0.449 457 R N 0.357 120.805 120.500 -0.087 0.000 2.081 457 R HA -0.031 4.308 4.340 -0.001 0.000 0.235 457 R C 2.406 178.649 176.300 -0.095 0.000 1.131 457 R CA 1.011 57.058 56.100 -0.088 0.000 0.960 457 R CB -0.562 29.677 30.300 -0.102 0.000 0.856 457 R HN 0.282 nan 8.270 nan 0.000 0.436 458 L N -0.146 121.011 121.223 -0.110 0.000 2.093 458 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 458 L C 2.370 179.175 176.870 -0.107 0.000 1.085 458 L CA 1.421 56.196 54.840 -0.108 0.000 0.755 458 L CB -0.421 41.569 42.059 -0.115 0.000 0.904 458 L HN 0.298 nan 8.230 nan 0.000 0.435 459 E N 0.210 120.351 120.200 -0.099 0.000 2.077 459 E HA -0.312 4.037 4.350 -0.001 0.000 0.193 459 E C 2.210 178.731 176.600 -0.131 0.000 0.989 459 E CA 1.429 57.760 56.400 -0.114 0.000 0.800 459 E CB -0.020 29.634 29.700 -0.077 0.000 0.746 459 E HN 0.424 nan 8.360 nan 0.000 0.452 460 Q N 0.006 119.749 119.800 -0.095 0.000 2.061 460 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 460 Q C 2.096 178.041 176.000 -0.091 0.000 0.984 460 Q CA 1.727 57.481 55.803 -0.081 0.000 0.846 460 Q CB -0.255 28.450 28.738 -0.054 0.000 0.902 460 Q HN 0.356 nan 8.270 nan 0.000 0.421 461 A N 1.066 123.831 122.820 -0.090 0.000 1.877 461 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 461 A C 2.107 179.626 177.584 -0.107 0.000 1.186 461 A CA 1.478 53.464 52.037 -0.085 0.000 0.620 461 A CB -0.529 18.424 19.000 -0.079 0.000 0.822 461 A HN 0.381 nan 8.150 nan 0.000 0.443 462 R N -0.829 119.586 120.500 -0.141 0.000 2.096 462 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 462 R C 2.441 178.586 176.300 -0.258 0.000 1.127 462 R CA 1.602 57.594 56.100 -0.181 0.000 0.968 462 R CB -0.262 29.916 30.300 -0.203 0.000 0.861 462 R HN 0.491 nan 8.270 nan 0.000 0.440 463 R N 0.168 120.481 120.500 -0.312 0.000 2.090 463 R HA -0.055 4.284 4.340 -0.001 0.000 0.228 463 R C 2.023 178.249 176.300 -0.124 0.000 1.110 463 R CA 0.840 56.677 56.100 -0.438 0.000 0.973 463 R CB 0.058 30.113 30.300 -0.410 0.000 0.869 463 R HN 0.171 nan 8.270 nan 0.000 0.440 464 E N 0.711 120.878 120.200 -0.056 0.000 2.107 464 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 464 E C 1.928 178.562 176.600 0.057 0.000 0.982 464 E CA 0.666 57.084 56.400 0.030 0.000 0.809 464 E CB -0.123 29.585 29.700 0.014 0.000 0.756 464 E HN 0.145 nan 8.360 nan 0.000 0.459 465 L N 1.107 122.332 121.223 0.003 0.000 2.093 465 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 465 L C 2.128 179.044 176.870 0.077 0.000 1.085 465 L CA 1.527 56.389 54.840 0.037 0.000 0.755 465 L CB -0.557 41.488 42.059 -0.024 0.000 0.904 465 L HN -0.107 nan 8.230 nan 0.000 0.435 466 S N -0.388 115.320 115.700 0.014 0.000 2.368 466 S HA -0.176 4.294 4.470 -0.001 0.000 0.225 466 S C 1.841 176.581 174.600 0.233 0.000 1.030 466 S CA 1.564 59.802 58.200 0.064 0.000 0.999 466 S CB -0.562 62.571 63.200 -0.113 0.000 0.844 466 S HN 0.465 nan 8.310 nan 0.000 0.459 467 L N 0.632 122.036 121.223 0.302 0.000 2.083 467 L HA -0.004 4.336 4.340 -0.001 0.000 0.209 467 L C 1.853 178.830 176.870 0.179 0.000 1.083 467 L CA 1.614 56.631 54.840 0.294 0.000 0.752 467 L CB -0.595 41.614 42.059 0.250 0.000 0.899 467 L HN 0.287 nan 8.230 nan 0.000 0.433 468 F N -0.311 119.614 119.950 -0.043 0.000 2.451 468 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 468 F C 2.166 177.889 175.800 -0.128 0.000 1.101 468 F CA 0.840 58.705 58.000 -0.225 0.000 1.436 468 F CB -0.201 38.708 39.000 -0.152 0.000 1.074 468 F HN 0.241 nan 8.300 nan 0.000 0.553 469 Q N -0.399 119.370 119.800 -0.052 0.000 2.488 469 Q HA -0.137 4.203 4.340 -0.001 0.000 0.211 469 Q C 0.481 176.420 176.000 -0.102 0.000 0.967 469 Q CA 0.420 56.165 55.803 -0.097 0.000 0.926 469 Q CB -1.323 27.428 28.738 0.021 0.000 0.992 469 Q HN 0.496 nan 8.270 nan 0.000 0.506 470 H N 1.993 120.948 119.070 -0.192 0.000 3.073 470 H HA -0.122 4.434 4.556 -0.001 0.000 0.340 470 H C 1.333 176.498 175.328 -0.271 0.000 1.054 470 H CA 0.779 56.706 56.048 -0.202 0.000 1.372 470 H CB 0.562 30.222 29.762 -0.170 0.000 1.314 470 H HN 0.245 nan 8.280 nan 0.000 0.603 471 H N 2.117 120.763 119.070 -0.706 0.000 2.563 471 H HA -0.009 4.547 4.556 -0.001 0.000 0.272 471 H C -0.308 174.567 175.328 -0.755 0.000 1.005 471 H CA 0.711 56.305 56.048 -0.757 0.000 1.171 471 H CB 0.305 29.618 29.762 -0.748 0.000 1.351 471 H HN 0.610 nan 8.280 nan 0.000 0.602 472 D N 0.443 120.111 120.400 -1.220 0.000 2.469 472 D HA 0.128 4.767 4.640 -0.001 0.000 0.215 472 D C 1.596 177.861 176.300 -0.060 0.000 1.154 472 D CA 0.304 54.129 54.000 -0.292 0.000 0.832 472 D CB 0.848 41.709 40.800 0.102 0.000 1.008 472 D HN 0.534 nan 8.370 nan 0.000 0.506 473 G N 1.236 109.797 108.800 -0.399 0.000 2.600 473 G HA2 0.001 3.960 3.960 -0.001 0.000 0.225 473 G HA3 0.001 3.960 3.960 -0.001 0.000 0.225 473 G C 1.342 175.627 174.900 -1.025 0.000 1.623 473 G CA -0.214 44.398 45.100 -0.814 0.000 0.903 473 G HN 0.196 nan 8.290 nan 0.000 0.574 474 I N 2.023 121.718 120.570 -1.459 0.000 2.423 474 I HA -0.180 3.989 4.170 -0.001 0.000 0.254 474 I C 2.903 178.910 176.117 -0.183 0.000 1.151 474 I CA 2.070 62.835 61.300 -0.892 0.000 1.421 474 I CB -0.052 37.601 38.000 -0.578 0.000 1.079 474 I HN 0.379 nan 8.210 nan 0.000 0.431 475 T N -1.652 112.846 114.554 -0.094 0.000 3.007 475 T HA 0.002 4.351 4.350 -0.001 0.000 0.270 475 T C 1.554 176.390 174.700 0.226 0.000 1.107 475 T CA 0.692 62.928 62.100 0.227 0.000 1.118 475 T CB -0.543 68.462 68.868 0.228 0.000 0.889 475 T HN 0.647 nan 8.240 nan 0.000 0.506 476 G N 1.325 110.213 108.800 0.147 0.000 2.176 476 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.252 476 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.252 476 G C 0.569 175.536 174.900 0.112 0.000 1.024 476 G CA 0.668 45.878 45.100 0.183 0.000 0.755 476 G HN 1.177 nan 8.290 nan 0.000 0.507 477 T N -3.274 111.336 114.554 0.094 0.000 3.215 477 T HA 0.740 5.089 4.350 -0.001 0.000 0.271 477 T C 0.840 175.732 174.700 0.320 0.000 1.012 477 T CA 1.030 63.117 62.100 -0.021 0.000 0.899 477 T CB 0.973 69.629 68.868 -0.354 0.000 1.089 477 T HN 1.565 nan 8.240 nan 0.000 0.552 478 A N 1.271 124.300 122.820 0.349 0.000 2.281 478 A HA 0.689 5.008 4.320 -0.001 0.000 0.329 478 A C 0.204 177.901 177.584 0.189 0.000 1.122 478 A CA -0.944 51.342 52.037 0.413 0.000 0.850 478 A CB 0.866 20.144 19.000 0.463 0.000 1.207 478 A HN 0.405 nan 8.150 nan 0.000 0.495 479 K N -0.165 120.279 120.400 0.074 0.000 2.276 479 K HA 0.139 4.458 4.320 -0.001 0.000 0.259 479 K C 1.080 177.699 176.600 0.031 0.000 1.001 479 K CA 0.360 56.666 56.287 0.032 0.000 0.927 479 K CB 0.352 32.864 32.500 0.020 0.000 0.969 479 K HN 0.739 nan 8.250 nan 0.000 0.490 480 T N 1.323 115.922 114.554 0.076 0.000 2.665 480 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 480 T C 1.654 176.394 174.700 0.067 0.000 1.035 480 T CA 1.830 63.976 62.100 0.077 0.000 1.151 480 T CB -0.405 68.515 68.868 0.086 0.000 0.862 480 T HN 0.683 nan 8.240 nan 0.000 0.438 481 H N 0.479 119.543 119.070 -0.009 0.000 2.495 481 H HA 0.115 4.670 4.556 -0.001 0.000 0.287 481 H C 2.007 177.310 175.328 -0.041 0.000 1.033 481 H CA 0.804 56.839 56.048 -0.022 0.000 1.307 481 H CB -0.757 28.984 29.762 -0.036 0.000 1.401 481 H HN 0.278 nan 8.280 nan 0.000 0.555 482 V N 1.148 120.713 119.914 -0.582 0.000 2.488 482 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 482 V C 3.008 178.924 176.094 -0.297 0.000 1.046 482 V CA 1.063 63.058 62.300 -0.508 0.000 1.053 482 V CB -0.418 31.151 31.823 -0.423 0.000 0.679 482 V HN 0.230 nan 8.190 nan 0.000 0.458 483 V N -0.017 119.857 119.914 -0.066 0.000 2.332 483 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 483 V C 2.465 178.552 176.094 -0.012 0.000 1.055 483 V CA 1.905 64.223 62.300 0.029 0.000 1.038 483 V CB -0.506 31.296 31.823 -0.035 0.000 0.651 483 V HN 0.416 nan 8.190 nan 0.000 0.450 484 V N 0.388 120.301 119.914 -0.003 0.000 2.343 484 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 484 V C 2.304 178.421 176.094 0.038 0.000 1.051 484 V CA 2.433 64.762 62.300 0.048 0.000 1.036 484 V CB -0.662 31.195 31.823 0.057 0.000 0.654 484 V HN 0.643 nan 8.190 nan 0.000 0.451 485 D N -1.014 119.362 120.400 -0.039 0.000 2.117 485 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 485 D C 2.009 178.325 176.300 0.026 0.000 0.987 485 D CA 1.619 55.593 54.000 -0.044 0.000 0.829 485 D CB -0.243 40.467 40.800 -0.151 0.000 0.961 485 D HN 0.593 nan 8.370 nan 0.000 0.460 486 Y N 0.440 120.788 120.300 0.080 0.000 2.181 486 Y HA -0.144 4.405 4.550 -0.001 0.000 0.288 486 Y C 2.566 178.454 175.900 -0.020 0.000 1.146 486 Y CA 1.168 59.314 58.100 0.077 0.000 1.164 486 Y CB -0.112 38.467 38.460 0.198 0.000 0.982 486 Y HN 0.086 nan 8.280 nan 0.000 0.515 487 E N 0.458 120.770 120.200 0.187 0.000 2.072 487 E HA -0.256 4.093 4.350 -0.001 0.000 0.191 487 E C 1.988 178.674 176.600 0.144 0.000 0.985 487 E CA 1.285 57.810 56.400 0.208 0.000 0.801 487 E CB -0.041 29.867 29.700 0.347 0.000 0.750 487 E HN 0.564 nan 8.360 nan 0.000 0.452 488 Q N -0.032 119.839 119.800 0.118 0.000 2.084 488 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 488 Q C 2.331 178.374 176.000 0.072 0.000 0.978 488 Q CA 1.393 57.248 55.803 0.087 0.000 0.844 488 Q CB -0.076 28.704 28.738 0.070 0.000 0.898 488 Q HN 0.191 nan 8.270 nan 0.000 0.426 489 R N 0.094 120.641 120.500 0.080 0.000 2.073 489 R HA -0.076 4.264 4.340 -0.001 0.000 0.234 489 R C 2.271 178.593 176.300 0.038 0.000 1.134 489 R CA 1.510 57.650 56.100 0.065 0.000 0.952 489 R CB -0.176 30.188 30.300 0.106 0.000 0.850 489 R HN 0.293 nan 8.270 nan 0.000 0.433 490 M N 0.303 119.916 119.600 0.022 0.000 2.229 490 M HA -0.178 4.302 4.480 -0.001 0.000 0.264 490 M C 2.139 178.439 176.300 0.001 0.000 1.063 490 M CA 1.587 56.869 55.300 -0.030 0.000 1.114 490 M CB -0.157 32.368 32.600 -0.126 0.000 1.387 490 M HN 0.214 nan 8.290 nan 0.000 0.420 491 Q N 0.016 119.845 119.800 0.048 0.000 2.084 491 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 491 Q C 1.937 177.951 176.000 0.024 0.000 0.978 491 Q CA 1.007 56.848 55.803 0.064 0.000 0.844 491 Q CB -0.041 28.752 28.738 0.091 0.000 0.898 491 Q HN 0.400 nan 8.270 nan 0.000 0.426 492 E N 0.531 120.742 120.200 0.019 0.000 2.110 492 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 492 E C 1.902 178.491 176.600 -0.018 0.000 0.988 492 E CA 1.115 57.515 56.400 0.001 0.000 0.804 492 E CB -0.220 29.484 29.700 0.007 0.000 0.745 492 E HN 0.354 nan 8.360 nan 0.000 0.458 493 A N 1.018 123.825 122.820 -0.021 0.000 1.898 493 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 493 A C 2.385 179.938 177.584 -0.053 0.000 1.181 493 A CA 0.941 52.954 52.037 -0.040 0.000 0.620 493 A CB -0.656 18.319 19.000 -0.042 0.000 0.819 493 A HN 0.185 nan 8.150 nan 0.000 0.442 494 L N -0.734 120.457 121.223 -0.053 0.000 2.046 494 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 494 L C 2.589 179.392 176.870 -0.113 0.000 1.077 494 L CA 1.732 56.517 54.840 -0.092 0.000 0.747 494 L CB -0.394 41.623 42.059 -0.070 0.000 0.896 494 L HN 0.356 nan 8.230 nan 0.000 0.432 495 K N -0.150 120.208 120.400 -0.070 0.000 2.057 495 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 495 K C 2.229 178.788 176.600 -0.067 0.000 1.049 495 K CA 1.341 57.588 56.287 -0.067 0.000 0.931 495 K CB -0.256 32.220 32.500 -0.041 0.000 0.714 495 K HN 0.295 nan 8.250 nan 0.000 0.440 496 A N 0.964 123.748 122.820 -0.061 0.000 1.902 496 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 496 A C 2.404 179.944 177.584 -0.073 0.000 1.181 496 A CA 1.523 53.522 52.037 -0.064 0.000 0.623 496 A CB -0.983 17.980 19.000 -0.062 0.000 0.818 496 A HN 0.419 nan 8.150 nan 0.000 0.443 497 C N -1.031 118.223 119.300 -0.077 0.000 2.429 497 C HA -0.122 4.338 4.460 -0.001 0.000 0.277 497 C C 2.858 177.809 174.990 -0.065 0.000 1.262 497 C CA 1.248 60.225 59.018 -0.067 0.000 1.733 497 C CB -1.299 26.411 27.740 -0.049 0.000 2.010 497 C HN 0.790 nan 8.230 nan 0.000 0.483 498 Q N 0.256 119.989 119.800 -0.112 0.000 2.096 498 Q HA -0.287 4.053 4.340 -0.001 0.000 0.204 498 Q C 2.169 178.179 176.000 0.016 0.000 0.982 498 Q CA 2.073 57.831 55.803 -0.075 0.000 0.850 498 Q CB -0.266 28.399 28.738 -0.122 0.000 0.901 498 Q HN 0.585 nan 8.270 nan 0.000 0.422 499 M N -0.188 119.402 119.600 -0.016 0.000 2.086 499 M HA -0.136 4.344 4.480 -0.001 0.000 0.261 499 M C 1.856 178.156 176.300 0.001 0.000 1.067 499 M CA 1.564 56.866 55.300 0.004 0.000 1.116 499 M CB -0.491 32.093 32.600 -0.026 0.000 1.348 499 M HN 0.136 nan 8.290 nan 0.000 0.407 500 V N 0.220 120.098 119.914 -0.061 0.000 2.295 500 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 500 V C 2.447 178.506 176.094 -0.059 0.000 1.049 500 V CA 2.213 64.428 62.300 -0.142 0.000 1.024 500 V CB -0.712 31.005 31.823 -0.177 0.000 0.648 500 V HN 0.554 nan 8.190 nan 0.000 0.447 501 M N 0.252 119.876 119.600 0.040 0.000 2.080 501 M HA -0.264 4.216 4.480 -0.001 0.000 0.260 501 M C 2.379 178.767 176.300 0.146 0.000 1.068 501 M CA 2.412 57.796 55.300 0.139 0.000 1.109 501 M CB -0.465 32.330 32.600 0.326 0.000 1.342 501 M HN 0.553 nan 8.290 nan 0.000 0.405 502 Q N -0.249 119.703 119.800 0.255 0.000 2.172 502 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 502 Q C 1.795 177.997 176.000 0.337 0.000 0.964 502 Q CA 1.103 57.083 55.803 0.296 0.000 0.855 502 Q CB -0.601 28.405 28.738 0.446 0.000 0.918 502 Q HN 0.420 nan 8.270 nan 0.000 0.444 503 Q N 0.603 120.579 119.800 0.294 0.000 2.124 503 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 503 Q C 2.251 178.511 176.000 0.433 0.000 0.977 503 Q CA 1.713 57.764 55.803 0.414 0.000 0.850 503 Q CB -0.191 28.703 28.738 0.261 0.000 0.901 503 Q HN 0.510 nan 8.270 nan 0.000 0.429 504 S N 0.400 116.242 115.700 0.236 0.000 2.368 504 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 504 S C 2.222 176.881 174.600 0.098 0.000 1.029 504 S CA 0.983 59.371 58.200 0.313 0.000 0.988 504 S CB -0.188 63.129 63.200 0.194 0.000 0.838 504 S HN 0.127 nan 8.310 nan 0.000 0.462 505 V N 0.991 120.844 119.914 -0.102 0.000 2.295 505 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 505 V C 2.022 178.124 176.094 0.014 0.000 1.049 505 V CA 1.860 63.980 62.300 -0.300 0.000 1.024 505 V CB -0.815 30.427 31.823 -0.967 0.000 0.648 505 V HN 0.546 nan 8.190 nan 0.000 0.447 506 Y N 1.466 121.854 120.300 0.146 0.000 2.114 506 Y HA -0.295 4.255 4.550 -0.001 0.000 0.282 506 Y C 2.741 178.720 175.900 0.131 0.000 1.165 506 Y CA 2.315 60.564 58.100 0.249 0.000 1.148 506 Y CB -0.461 38.027 38.460 0.047 0.000 0.972 506 Y HN 0.105 nan 8.280 nan 0.000 0.504 507 R N -0.154 120.262 120.500 -0.141 0.000 2.075 507 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 507 R C 2.246 178.221 176.300 -0.542 0.000 1.126 507 R CA 1.665 57.316 56.100 -0.748 0.000 0.963 507 R CB -0.395 29.467 30.300 -0.730 0.000 0.858 507 R HN 0.467 nan 8.270 nan 0.000 0.435 508 L N 0.217 121.275 121.223 -0.275 0.000 2.291 508 L HA -0.054 4.285 4.340 -0.001 0.000 0.214 508 L C 1.394 178.144 176.870 -0.201 0.000 1.120 508 L CA 0.741 55.381 54.840 -0.333 0.000 0.799 508 L CB 0.144 41.848 42.059 -0.591 0.000 0.925 508 L HN 0.241 nan 8.230 nan 0.000 0.446 509 L N -1.324 119.882 121.223 -0.028 0.000 3.122 509 L HA 0.225 4.565 4.340 -0.001 0.000 0.274 509 L C -0.186 176.764 176.870 0.133 0.000 1.222 509 L CA -0.101 54.811 54.840 0.120 0.000 1.028 509 L CB 0.596 42.877 42.059 0.371 0.000 1.386 509 L HN -0.004 nan 8.230 nan 0.000 0.578 510 T N -0.012 114.544 114.554 0.004 0.000 2.856 510 T HA 0.193 4.542 4.350 -0.001 0.000 0.283 510 T C -0.145 174.490 174.700 -0.109 0.000 1.008 510 T CA -0.563 61.533 62.100 -0.006 0.000 0.997 510 T CB 2.459 71.325 68.868 -0.003 0.000 0.992 510 T HN 0.004 nan 8.240 nan 0.000 0.454 511 K N 3.451 123.800 120.400 -0.084 0.000 2.491 511 K HA -0.005 4.315 4.320 -0.001 0.000 0.279 511 K C -1.787 174.782 176.600 -0.052 0.000 1.026 511 K CA -1.064 55.180 56.287 -0.073 0.000 1.070 511 K CB 0.423 32.887 32.500 -0.061 0.000 0.887 511 K HN 0.179 nan 8.250 nan 0.000 0.481 512 P HA -0.185 nan 4.420 nan 0.000 0.216 512 P C 0.732 178.038 177.300 0.010 0.000 1.150 512 P CA 1.394 64.464 63.100 -0.050 0.000 0.837 512 P CB 0.199 31.866 31.700 -0.056 0.000 0.786 513 S N -2.219 113.481 115.700 0.001 0.000 2.607 513 S HA 0.060 4.529 4.470 -0.001 0.000 0.224 513 S C 1.609 176.221 174.600 0.019 0.000 0.969 513 S CA 0.469 58.675 58.200 0.010 0.000 0.927 513 S CB -1.098 62.100 63.200 -0.002 0.000 0.772 513 S HN 0.105 nan 8.310 nan 0.000 0.533 514 I N -0.790 119.800 120.570 0.033 0.000 3.616 514 I HA 0.207 4.376 4.170 -0.001 0.000 0.296 514 I C 0.597 176.767 176.117 0.088 0.000 1.226 514 I CA -0.399 60.930 61.300 0.050 0.000 1.394 514 I CB -0.067 37.961 38.000 0.046 0.000 1.171 514 I HN 0.263 nan 8.210 nan 0.000 0.442 515 Y N 2.776 123.027 120.300 -0.082 0.000 2.802 515 Y HA -0.064 4.486 4.550 -0.001 0.000 0.333 515 Y C 0.489 176.358 175.900 -0.051 0.000 1.244 515 Y CA 0.117 58.123 58.100 -0.157 0.000 1.558 515 Y CB 0.410 38.694 38.460 -0.294 0.000 1.233 515 Y HN -0.107 nan 8.280 nan 0.000 0.547 516 S N 8.673 124.159 115.700 -0.356 0.000 2.440 516 S HA 0.335 4.805 4.470 -0.001 0.000 0.142 516 S C -2.885 171.532 174.600 -0.306 0.000 1.578 516 S CA -1.161 56.846 58.200 -0.321 0.000 1.260 516 S CB -0.063 63.070 63.200 -0.112 0.000 1.407 516 S HN 0.648 nan 8.310 nan 0.000 0.392 517 P HA 0.309 nan 4.420 nan 0.000 0.275 517 P C -1.098 175.966 177.300 -0.393 0.000 1.227 517 P CA -0.155 62.739 63.100 -0.343 0.000 0.781 517 P CB 0.799 32.210 31.700 -0.482 0.000 0.906 518 D N 2.111 122.455 120.400 -0.094 0.000 2.392 518 D HA 0.155 4.795 4.640 -0.001 0.000 0.228 518 D C 0.218 176.561 176.300 0.071 0.000 1.074 518 D CA -0.693 53.237 54.000 -0.116 0.000 0.838 518 D CB 0.128 40.884 40.800 -0.074 0.000 1.067 518 D HN 0.043 nan 8.370 nan 0.000 0.511 519 F N 1.677 121.745 119.950 0.197 0.000 2.771 519 F HA -0.039 4.487 4.527 -0.001 0.000 0.299 519 F C 2.431 178.313 175.800 0.136 0.000 1.177 519 F CA 0.506 58.628 58.000 0.203 0.000 1.450 519 F CB -0.426 38.673 39.000 0.166 0.000 1.114 519 F HN 0.381 nan 8.300 nan 0.000 0.587 520 S N -1.673 114.174 115.700 0.246 0.000 2.535 520 S HA 0.087 4.556 4.470 -0.001 0.000 0.214 520 S C 0.441 175.087 174.600 0.078 0.000 0.980 520 S CA -0.381 57.901 58.200 0.135 0.000 0.907 520 S CB -0.620 62.638 63.200 0.096 0.000 0.790 520 S HN 0.097 nan 8.310 nan 0.000 0.510 521 F N 3.023 122.903 119.950 -0.118 0.000 2.371 521 F HA 0.575 5.102 4.527 -0.001 0.000 0.329 521 F C -0.040 175.529 175.800 -0.386 0.000 1.107 521 F CA -0.642 57.148 58.000 -0.350 0.000 1.137 521 F CB 1.459 40.064 39.000 -0.659 0.000 1.214 521 F HN -0.044 nan 8.300 nan 0.000 0.536 522 S N 5.483 120.430 115.700 -1.256 0.000 2.466 522 S HA 0.173 4.642 4.470 -0.001 0.000 0.313 522 S C 0.293 174.302 174.600 -0.986 0.000 1.078 522 S CA -0.358 57.356 58.200 -0.811 0.000 1.115 522 S CB -0.149 62.687 63.200 -0.607 0.000 1.006 522 S HN 0.666 nan 8.310 nan 0.000 0.487 523 Y N 1.484 121.606 120.300 -0.297 0.000 2.314 523 Y HA 0.146 4.696 4.550 -0.001 0.000 0.293 523 Y C 0.330 175.706 175.900 -0.873 0.000 1.129 523 Y CA 0.757 58.551 58.100 -0.511 0.000 1.201 523 Y CB 0.174 38.402 38.460 -0.386 0.000 0.999 523 Y HN 0.490 nan 8.280 nan 0.000 0.541 524 F N -1.284 118.653 119.950 -0.022 0.000 2.599 524 F HA 0.447 4.973 4.527 -0.001 0.000 0.311 524 F C -0.030 175.805 175.800 0.058 0.000 1.076 524 F CA -1.519 56.518 58.000 0.061 0.000 0.937 524 F CB 1.548 40.722 39.000 0.291 0.000 1.282 524 F HN -0.407 nan 8.300 nan 0.000 0.460 525 T N -0.131 114.577 114.554 0.258 0.000 2.888 525 T HA 0.718 5.067 4.350 -0.001 0.000 0.284 525 T C -0.579 174.217 174.700 0.161 0.000 1.017 525 T CA -0.852 61.336 62.100 0.147 0.000 1.022 525 T CB 1.310 70.203 68.868 0.042 0.000 1.013 525 T HN 0.506 nan 8.240 nan 0.000 0.465 526 L N 1.759 122.986 121.223 0.008 0.000 2.397 526 L HA 0.413 4.753 4.340 -0.001 0.000 0.271 526 L C 0.082 176.918 176.870 -0.057 0.000 1.148 526 L CA -0.304 54.447 54.840 -0.147 0.000 0.825 526 L CB 0.686 42.579 42.059 -0.276 0.000 1.117 526 L HN 0.809 nan 8.230 nan 0.000 0.456 527 D N 1.578 121.950 120.400 -0.046 0.000 2.425 527 D HA 0.206 4.845 4.640 -0.001 0.000 0.240 527 D C -1.240 175.000 176.300 -0.100 0.000 1.080 527 D CA -0.382 53.588 54.000 -0.051 0.000 0.836 527 D CB 1.105 41.917 40.800 0.021 0.000 1.125 527 D HN 0.278 nan 8.370 nan 0.000 0.525 528 D N 2.405 122.757 120.400 -0.079 0.000 2.481 528 D HA 0.190 4.829 4.640 -0.001 0.000 0.246 528 D C 0.109 176.360 176.300 -0.082 0.000 1.109 528 D CA -0.460 53.526 54.000 -0.022 0.000 0.845 528 D CB 1.854 42.729 40.800 0.125 0.000 1.160 528 D HN 0.248 nan 8.370 nan 0.000 0.534 529 S N 2.674 118.301 115.700 -0.121 0.000 2.522 529 S HA 0.024 4.493 4.470 -0.001 0.000 0.227 529 S C 1.375 175.936 174.600 -0.064 0.000 0.986 529 S CA 0.558 58.678 58.200 -0.134 0.000 0.929 529 S CB 0.384 63.497 63.200 -0.144 0.000 0.769 529 S HN 0.491 nan 8.310 nan 0.000 0.529 530 R N -0.692 119.803 120.500 -0.008 0.000 2.549 530 R HA 0.216 4.555 4.340 -0.001 0.000 0.344 530 R C -0.702 175.678 176.300 0.135 0.000 0.979 530 R CA -0.099 56.019 56.100 0.030 0.000 1.140 530 R CB 0.827 31.136 30.300 0.014 0.000 1.377 530 R HN 0.349 nan 8.270 nan 0.000 0.541 531 W N 1.416 122.676 121.300 -0.067 0.000 3.211 531 W HA 0.301 4.961 4.660 -0.001 0.000 0.335 531 W C -2.976 173.513 176.519 -0.051 0.000 1.113 531 W CA -1.899 55.406 57.345 -0.067 0.000 1.235 531 W CB 1.877 31.311 29.460 -0.043 0.000 1.365 531 W HN -0.196 nan 8.180 nan 0.000 0.476 532 P HA 0.124 nan 4.420 nan 0.000 0.237 532 P C 0.412 177.354 177.300 -0.596 0.000 1.178 532 P CA 1.427 63.686 63.100 -1.401 0.000 0.766 532 P CB 0.307 31.384 31.700 -1.039 0.000 0.876 533 G N -0.956 107.660 108.800 -0.307 0.000 2.692 533 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.686 533 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.686 533 G C -0.413 174.416 174.900 -0.119 0.000 1.243 533 G CA -0.813 44.193 45.100 -0.156 0.000 0.782 533 G HN 0.016 nan 8.290 nan 0.000 0.625 534 S N 0.221 115.892 115.700 -0.049 0.000 2.580 534 S HA 0.577 5.047 4.470 -0.001 0.000 0.274 534 S C 1.695 176.286 174.600 -0.014 0.000 1.329 534 S CA 1.183 59.381 58.200 -0.004 0.000 1.036 534 S CB 1.309 64.554 63.200 0.074 0.000 0.919 534 S HN 2.603 nan 8.310 nan 0.000 0.515 535 G N 0.616 109.407 108.800 -0.015 0.000 2.228 535 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.270 535 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.270 535 G C 0.712 175.575 174.900 -0.062 0.000 0.976 535 G CA 0.606 45.683 45.100 -0.038 0.000 0.636 535 G HN 0.602 nan 8.290 nan 0.000 0.542 536 V N -0.311 119.551 119.914 -0.088 0.000 2.521 536 V HA 0.527 4.647 4.120 -0.001 0.000 0.239 536 V C 0.873 176.894 176.094 -0.121 0.000 1.053 536 V CA 2.229 64.459 62.300 -0.117 0.000 1.073 536 V CB 0.927 32.638 31.823 -0.186 0.000 0.746 536 V HN 0.482 nan 8.190 nan 0.000 0.476 537 E N -0.537 119.584 120.200 -0.131 0.000 2.343 537 E HA 0.204 4.554 4.350 -0.001 0.000 0.278 537 E C -1.286 175.272 176.600 -0.070 0.000 0.910 537 E CA -0.441 55.895 56.400 -0.107 0.000 0.757 537 E CB 1.574 31.182 29.700 -0.152 0.000 1.218 537 E HN 0.138 nan 8.360 nan 0.000 0.435 538 D N 2.621 123.001 120.400 -0.034 0.000 2.845 538 D HA 0.044 4.683 4.640 -0.001 0.000 0.235 538 D C 0.215 176.510 176.300 -0.009 0.000 1.158 538 D CA 0.242 54.242 54.000 0.000 0.000 0.990 538 D CB 0.009 40.824 40.800 0.025 0.000 1.094 538 D HN 0.410 nan 8.370 nan 0.000 0.486 539 S N 0.380 116.054 115.700 -0.044 0.000 2.458 539 S HA 0.097 4.567 4.470 -0.001 0.000 0.223 539 S C 1.153 175.724 174.600 -0.050 0.000 1.019 539 S CA -0.174 57.994 58.200 -0.054 0.000 0.937 539 S CB 0.295 63.445 63.200 -0.084 0.000 0.788 539 S HN 0.214 nan 8.310 nan 0.000 0.511 540 R N 3.087 123.543 120.500 -0.073 0.000 2.401 540 R HA 0.230 4.569 4.340 -0.001 0.000 0.299 540 R C 0.273 176.555 176.300 -0.030 0.000 1.064 540 R CA 0.192 56.213 56.100 -0.133 0.000 1.000 540 R CB 0.472 30.538 30.300 -0.389 0.000 0.973 540 R HN 0.465 nan 8.270 nan 0.000 0.438 541 T N 0.372 114.923 114.554 -0.005 0.000 2.907 541 T HA 0.112 4.462 4.350 -0.001 0.000 0.298 541 T C 0.285 175.064 174.700 0.133 0.000 1.017 541 T CA -0.530 61.607 62.100 0.062 0.000 1.118 541 T CB 1.151 70.051 68.868 0.054 0.000 0.948 541 T HN 0.368 nan 8.240 nan 0.000 0.531 542 T N 4.783 119.437 114.554 0.165 0.000 2.806 542 T HA 0.386 4.736 4.350 -0.001 0.000 0.290 542 T C 0.491 175.294 174.700 0.171 0.000 0.966 542 T CA -0.516 61.713 62.100 0.214 0.000 1.060 542 T CB 0.240 69.209 68.868 0.169 0.000 0.927 542 T HN 0.603 nan 8.240 nan 0.000 0.485 543 I N 4.040 124.732 120.570 0.203 0.000 2.436 543 I HA 0.187 4.356 4.170 -0.001 0.000 0.289 543 I C 0.158 176.361 176.117 0.144 0.000 1.083 543 I CA 0.005 61.405 61.300 0.166 0.000 1.372 543 I CB 0.217 38.321 38.000 0.173 0.000 1.408 543 I HN 0.455 nan 8.210 nan 0.000 0.516 544 I N 8.077 128.716 120.570 0.116 0.000 2.297 544 I HA 0.320 4.489 4.170 -0.001 0.000 0.291 544 I C -0.170 176.008 176.117 0.100 0.000 1.033 544 I CA -0.192 61.168 61.300 0.100 0.000 1.253 544 I CB 0.537 38.584 38.000 0.078 0.000 1.396 544 I HN 0.385 nan 8.210 nan 0.000 0.476 545 L N 5.772 127.058 121.223 0.106 0.000 2.333 545 L HA 0.958 5.297 4.340 -0.001 0.000 0.269 545 L C 0.160 177.087 176.870 0.094 0.000 1.010 545 L CA -0.699 54.202 54.840 0.103 0.000 0.818 545 L CB 2.159 44.285 42.059 0.111 0.000 1.306 545 L HN 0.689 nan 8.230 nan 0.000 0.430 546 G N 0.029 108.881 108.800 0.087 0.000 2.473 546 G HA2 0.114 4.074 3.960 -0.001 0.000 0.298 546 G HA3 0.114 4.074 3.960 -0.001 0.000 0.298 546 G C -0.188 174.755 174.900 0.071 0.000 1.575 546 G CA -0.395 44.753 45.100 0.080 0.000 0.846 546 G HN 0.719 nan 8.290 nan 0.000 0.585 547 E N -0.094 120.146 120.200 0.066 0.000 2.160 547 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 547 E C 0.632 177.261 176.600 0.048 0.000 0.991 547 E CA 1.507 57.940 56.400 0.055 0.000 0.810 547 E CB 0.123 29.852 29.700 0.048 0.000 0.742 547 E HN 0.413 nan 8.360 nan 0.000 0.466 548 D N -0.239 120.189 120.400 0.047 0.000 2.388 548 D HA 0.125 4.765 4.640 -0.001 0.000 0.221 548 D C 1.087 177.413 176.300 0.043 0.000 1.133 548 D CA 0.123 54.147 54.000 0.040 0.000 0.831 548 D CB 0.893 41.715 40.800 0.036 0.000 0.962 548 D HN 0.339 nan 8.370 nan 0.000 0.502 549 I N -0.926 119.674 120.570 0.051 0.000 4.420 549 I HA 0.120 4.289 4.170 -0.001 0.000 0.292 549 I C -1.386 174.768 176.117 0.062 0.000 1.153 549 I CA 0.052 61.383 61.300 0.053 0.000 1.315 549 I CB 1.294 39.326 38.000 0.053 0.000 1.616 549 I HN -0.171 nan 8.210 nan 0.000 0.450 550 L N 1.343 122.609 121.223 0.071 0.000 2.830 550 L HA 0.471 4.811 4.340 -0.001 0.000 0.259 550 L C -2.611 174.312 176.870 0.088 0.000 0.943 550 L CA -0.803 54.088 54.840 0.085 0.000 0.997 550 L CB 1.565 43.681 42.059 0.095 0.000 1.427 550 L HN -0.178 nan 8.230 nan 0.000 0.456 551 P HA 0.138 nan 4.420 nan 0.000 0.227 551 P C -0.506 176.847 177.300 0.088 0.000 1.161 551 P CA 0.762 63.911 63.100 0.081 0.000 0.788 551 P CB 0.391 32.132 31.700 0.069 0.000 0.822 552 S N -2.494 113.269 115.700 0.105 0.000 2.596 552 S HA 0.751 5.221 4.470 -0.001 0.000 0.270 552 S C -1.371 173.325 174.600 0.158 0.000 1.155 552 S CA -0.750 57.514 58.200 0.106 0.000 0.827 552 S CB 2.266 65.513 63.200 0.079 0.000 1.130 552 S HN -0.197 nan 8.310 nan 0.000 0.467 553 K N 0.634 121.124 120.400 0.151 0.000 2.535 553 K HA 0.545 4.865 4.320 -0.001 0.000 0.251 553 K C -1.983 174.750 176.600 0.222 0.000 0.942 553 K CA -0.237 56.189 56.287 0.233 0.000 0.798 553 K CB 0.897 33.502 32.500 0.175 0.000 1.267 553 K HN 0.853 nan 8.250 nan 0.000 0.434 554 H N 0.923 120.142 119.070 0.249 0.000 2.683 554 H HA 0.419 4.974 4.556 -0.001 0.000 0.339 554 H C -0.113 175.442 175.328 0.378 0.000 1.081 554 H CA 0.073 56.316 56.048 0.325 0.000 1.432 554 H CB 0.895 30.935 29.762 0.463 0.000 1.462 554 H HN 0.389 nan 8.280 nan 0.000 0.557 555 V N 1.105 121.271 119.914 0.420 0.000 2.914 555 V HA 0.774 4.893 4.120 -0.001 0.000 0.314 555 V C -0.715 175.709 176.094 0.550 0.000 1.084 555 V CA -0.881 61.663 62.300 0.407 0.000 0.963 555 V CB 2.102 33.908 31.823 -0.028 0.000 1.025 555 V HN 0.465 nan 8.190 nan 0.000 0.432 556 V N 3.949 124.207 119.914 0.573 0.000 2.638 556 V HA 0.635 4.755 4.120 -0.001 0.000 0.306 556 V C -0.459 175.988 176.094 0.589 0.000 1.052 556 V CA -0.364 62.239 62.300 0.504 0.000 0.885 556 V CB 1.844 33.807 31.823 0.233 0.000 0.999 556 V HN 0.946 nan 8.190 nan 0.000 0.424 557 M N 3.983 123.904 119.600 0.535 0.000 2.404 557 M HA 0.503 4.982 4.480 -0.001 0.000 0.338 557 M C -0.517 176.064 176.300 0.467 0.000 1.150 557 M CA -0.269 55.325 55.300 0.490 0.000 1.016 557 M CB 1.270 34.103 32.600 0.387 0.000 1.672 557 M HN 0.761 nan 8.290 nan 0.000 0.448 558 H N 1.862 121.164 119.070 0.386 0.000 2.492 558 H HA 0.494 5.050 4.556 -0.001 0.000 0.345 558 H C -1.380 174.088 175.328 0.233 0.000 1.136 558 H CA -0.595 55.646 56.048 0.322 0.000 1.202 558 H CB 1.227 31.253 29.762 0.440 0.000 1.524 558 H HN 0.653 nan 8.280 nan 0.000 0.506 559 N N 3.027 121.495 118.700 -0.386 0.000 2.569 559 N HA 0.040 4.779 4.740 -0.001 0.000 0.254 559 N C 0.275 175.455 175.510 -0.549 0.000 1.004 559 N CA -0.313 52.524 53.050 -0.356 0.000 0.904 559 N CB 1.611 39.999 38.487 -0.166 0.000 1.165 559 N HN 0.630 nan 8.380 nan 0.000 0.513 560 T N 2.849 117.126 114.554 -0.461 0.000 3.035 560 T HA 0.171 4.521 4.350 -0.001 0.000 0.268 560 T C 0.676 175.335 174.700 -0.068 0.000 1.109 560 T CA 0.491 62.486 62.100 -0.175 0.000 1.119 560 T CB -0.233 68.668 68.868 0.055 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.775 123.903 121.223 -0.157 0.000 2.395 561 L HA 0.321 4.661 4.340 -0.001 0.000 0.269 561 L C -1.668 175.055 176.870 -0.245 0.000 1.133 561 L CA -1.964 52.749 54.840 -0.212 0.000 0.812 561 L CB 0.652 42.445 42.059 -0.443 0.000 1.125 561 L HN -0.045 nan 8.230 nan 0.000 0.452 562 P HA 0.069 nan 4.420 nan 0.000 0.235 562 P C -1.028 176.294 177.300 0.038 0.000 1.725 562 P CA 0.260 63.351 63.100 -0.015 0.000 0.894 562 P CB -0.363 31.385 31.700 0.080 0.000 1.704 563 H N -2.989 116.103 119.070 0.036 0.000 3.012 563 H HA 0.245 4.801 4.556 -0.001 0.000 0.367 563 H C -1.006 174.352 175.328 0.051 0.000 1.211 563 H CA -1.062 55.029 56.048 0.072 0.000 1.139 563 H CB 0.032 29.866 29.762 0.120 0.000 1.838 563 H HN -0.115 nan 8.280 nan 0.000 0.550 564 W N 1.724 123.140 121.300 0.194 0.000 2.257 564 W HA 0.218 4.878 4.660 -0.001 0.000 0.337 564 W C 0.893 177.526 176.519 0.190 0.000 1.321 564 W CA 0.425 57.849 57.345 0.133 0.000 1.267 564 W CB 0.435 29.957 29.460 0.104 0.000 1.187 564 W HN 0.508 nan 8.180 nan 0.000 0.565 565 R N 2.256 122.969 120.500 0.353 0.000 2.621 565 R HA 0.299 4.638 4.340 -0.001 0.000 0.284 565 R C -1.069 175.369 176.300 0.231 0.000 0.998 565 R CA -0.666 55.594 56.100 0.266 0.000 0.895 565 R CB 1.376 31.759 30.300 0.138 0.000 1.195 565 R HN 0.495 nan 8.270 nan 0.000 0.450 566 E N 2.492 122.804 120.200 0.187 0.000 2.179 566 E HA 0.243 4.592 4.350 -0.001 0.000 0.275 566 E C -1.221 175.428 176.600 0.082 0.000 0.945 566 E CA -0.753 55.732 56.400 0.141 0.000 0.792 566 E CB 2.352 32.127 29.700 0.126 0.000 1.125 566 E HN 0.389 nan 8.360 nan 0.000 0.397 567 Q N 3.141 122.967 119.800 0.044 0.000 2.353 567 Q HA 0.271 4.610 4.340 -0.001 0.000 0.275 567 Q C -1.436 174.525 176.000 -0.065 0.000 1.029 567 Q CA -0.631 55.168 55.803 -0.006 0.000 0.848 567 Q CB 1.499 30.225 28.738 -0.020 0.000 1.390 567 Q HN 0.554 nan 8.270 nan 0.000 0.401 568 L N 3.127 124.307 121.223 -0.072 0.000 2.456 568 L HA 0.331 4.671 4.340 -0.001 0.000 0.272 568 L C 0.167 176.908 176.870 -0.216 0.000 1.189 568 L CA -0.313 54.446 54.840 -0.136 0.000 0.846 568 L CB 0.623 42.639 42.059 -0.071 0.000 1.111 568 L HN 0.475 nan 8.230 nan 0.000 0.475 569 V N -0.600 119.082 119.914 -0.386 0.000 2.823 569 V HA 0.667 4.786 4.120 -0.001 0.000 0.312 569 V C -0.908 174.930 176.094 -0.427 0.000 1.072 569 V CA -0.874 61.161 62.300 -0.441 0.000 0.937 569 V CB 2.115 33.635 31.823 -0.506 0.000 1.013 569 V HN 0.793 nan 8.190 nan 0.000 0.430 570 D N 1.924 122.078 120.400 -0.410 0.000 2.575 570 D HA 0.635 5.274 4.640 -0.001 0.000 0.236 570 D C -1.358 174.669 176.300 -0.455 0.000 1.075 570 D CA -0.392 53.478 54.000 -0.217 0.000 0.860 570 D CB 2.469 43.233 40.800 -0.060 0.000 1.475 570 D HN 0.443 nan 8.370 nan 0.000 0.474 571 F N -0.037 119.995 119.950 0.137 0.000 2.603 571 F HA 0.342 4.868 4.527 -0.001 0.000 0.317 571 F C -0.520 175.465 175.800 0.309 0.000 1.066 571 F CA -1.049 57.045 58.000 0.157 0.000 0.941 571 F CB 1.558 40.683 39.000 0.209 0.000 1.291 571 F HN 0.172 nan 8.300 nan 0.000 0.472 572 Y N 1.976 122.432 120.300 0.260 0.000 2.304 572 Y HA 0.580 5.129 4.550 -0.001 0.000 0.328 572 Y C 0.173 176.192 175.900 0.198 0.000 1.123 572 Y CA -1.482 56.721 58.100 0.173 0.000 1.218 572 Y CB 1.045 39.558 38.460 0.089 0.000 1.207 572 Y HN 0.343 nan 8.280 nan 0.000 0.495 573 V N -0.493 119.612 119.914 0.318 0.000 3.078 573 V HA 0.562 4.682 4.120 -0.001 0.000 0.311 573 V C 0.274 176.497 176.094 0.215 0.000 1.138 573 V CA -0.812 61.641 62.300 0.254 0.000 1.007 573 V CB 1.689 33.664 31.823 0.253 0.000 1.045 573 V HN 0.659 nan 8.190 nan 0.000 0.432 574 S N 0.091 115.901 115.700 0.183 0.000 2.631 574 S HA 0.306 4.775 4.470 -0.001 0.000 0.217 574 S C 0.603 175.342 174.600 0.230 0.000 0.958 574 S CA 0.434 58.730 58.200 0.159 0.000 0.920 574 S CB -0.313 62.953 63.200 0.111 0.000 0.776 574 S HN 1.515 nan 8.310 nan 0.000 0.517 575 S N 1.230 117.078 115.700 0.248 0.000 2.541 575 S HA 0.583 5.053 4.470 -0.001 0.000 0.271 575 S C -2.660 171.860 174.600 -0.134 0.000 1.133 575 S CA -1.315 56.921 58.200 0.061 0.000 0.876 575 S CB 1.939 65.168 63.200 0.049 0.000 1.105 575 S HN 0.016 nan 8.310 nan 0.000 0.470 576 P HA 0.198 nan 4.420 nan 0.000 0.240 576 P C -0.104 177.054 177.300 -0.237 0.000 1.190 576 P CA 0.353 63.080 63.100 -0.623 0.000 0.781 576 P CB -0.183 30.836 31.700 -1.136 0.000 0.931 577 F N 0.777 120.742 119.950 0.025 0.000 2.467 577 F HA 0.288 4.814 4.527 -0.001 0.000 0.349 577 F C 0.277 176.121 175.800 0.074 0.000 1.182 577 F CA -0.868 57.174 58.000 0.070 0.000 1.279 577 F CB 0.498 39.507 39.000 0.015 0.000 1.626 577 F HN -0.348 nan 8.300 nan 0.000 0.596 578 V N 1.253 121.305 119.914 0.230 0.000 2.709 578 V HA 0.545 4.664 4.120 -0.001 0.000 0.308 578 V C -0.370 175.791 176.094 0.111 0.000 1.062 578 V CA -0.756 61.635 62.300 0.150 0.000 0.901 578 V CB 2.320 34.225 31.823 0.137 0.000 1.003 578 V HN 0.536 nan 8.190 nan 0.000 0.425 579 S N 3.083 118.828 115.700 0.076 0.000 2.634 579 S HA 0.898 5.367 4.470 -0.001 0.000 0.296 579 S C -1.034 173.552 174.600 -0.022 0.000 1.104 579 S CA -0.809 57.416 58.200 0.042 0.000 0.920 579 S CB 2.123 65.362 63.200 0.066 0.000 1.111 579 S HN 0.449 nan 8.310 nan 0.000 0.493 580 V N 1.894 121.760 119.914 -0.079 0.000 2.555 580 V HA 0.791 4.911 4.120 -0.001 0.000 0.302 580 V C 0.107 176.126 176.094 -0.125 0.000 1.038 580 V CA -0.417 61.757 62.300 -0.209 0.000 0.887 580 V CB 1.590 33.096 31.823 -0.529 0.000 0.991 580 V HN 1.210 nan 8.190 nan 0.000 0.434 581 T N -0.388 114.111 114.554 -0.092 0.000 2.916 581 T HA 0.667 5.016 4.350 -0.001 0.000 0.292 581 T C -0.875 173.820 174.700 -0.008 0.000 1.055 581 T CA -0.913 61.158 62.100 -0.047 0.000 1.009 581 T CB 2.005 70.837 68.868 -0.060 0.000 1.118 581 T HN 0.715 nan 8.240 nan 0.000 0.497 582 D N 0.378 120.744 120.400 -0.056 0.000 2.387 582 D HA 0.226 4.865 4.640 -0.001 0.000 0.251 582 D C 0.407 176.595 176.300 -0.187 0.000 1.141 582 D CA -1.167 52.688 54.000 -0.241 0.000 0.987 582 D CB 0.486 41.143 40.800 -0.239 0.000 1.116 582 D HN 0.337 nan 8.370 nan 0.000 0.491 583 L N 0.176 121.270 121.223 -0.217 0.000 2.777 583 L HA 0.314 4.654 4.340 -0.001 0.000 0.244 583 L C 1.212 178.016 176.870 -0.109 0.000 1.235 583 L CA 0.342 55.096 54.840 -0.144 0.000 1.062 583 L CB -0.877 41.102 42.059 -0.132 0.000 1.340 583 L HN 0.669 nan 8.230 nan 0.000 0.439 584 A N -1.040 121.720 122.820 -0.101 0.000 2.470 584 A HA 0.220 4.540 4.320 -0.001 0.000 0.251 584 A C 1.248 178.794 177.584 -0.063 0.000 1.245 584 A CA 0.268 52.262 52.037 -0.072 0.000 0.932 584 A CB -0.222 18.740 19.000 -0.062 0.000 1.037 584 A HN 0.431 nan 8.150 nan 0.000 0.522 585 N N 0.118 118.775 118.700 -0.072 0.000 2.878 585 N HA -0.147 4.593 4.740 -0.001 0.000 0.247 585 N C -0.848 174.631 175.510 -0.051 0.000 1.021 585 N CA 0.920 53.935 53.050 -0.058 0.000 0.873 585 N CB -1.887 36.573 38.487 -0.044 0.000 1.128 585 N HN 0.563 nan 8.380 nan 0.000 0.571 586 N N 1.268 119.933 118.700 -0.057 0.000 2.412 586 N HA 0.097 4.836 4.740 -0.001 0.000 0.258 586 N C -2.462 173.001 175.510 -0.077 0.000 1.236 586 N CA -0.197 52.814 53.050 -0.064 0.000 0.882 586 N CB 0.164 38.618 38.487 -0.055 0.000 1.066 586 N HN 0.301 nan 8.380 nan 0.000 0.465 587 P HA 0.098 nan 4.420 nan 0.000 0.271 587 P C -0.402 176.798 177.300 -0.167 0.000 1.218 587 P CA -0.141 62.846 63.100 -0.188 0.000 0.780 587 P CB 0.700 32.127 31.700 -0.455 0.000 0.901 588 V N 2.444 122.300 119.914 -0.096 0.000 2.487 588 V HA 0.226 4.346 4.120 -0.001 0.000 0.298 588 V C 0.420 176.512 176.094 -0.003 0.000 1.028 588 V CA -0.814 61.471 62.300 -0.026 0.000 0.860 588 V CB 1.329 33.155 31.823 0.004 0.000 0.991 588 V HN 0.539 nan 8.190 nan 0.000 0.427 589 E N 3.035 123.260 120.200 0.042 0.000 2.414 589 E HA 0.479 4.829 4.350 -0.001 0.000 0.263 589 E C -0.190 176.481 176.600 0.118 0.000 1.000 589 E CA 0.103 56.559 56.400 0.094 0.000 0.914 589 E CB 0.853 30.611 29.700 0.096 0.000 0.948 589 E HN 0.902 nan 8.360 nan 0.000 0.444 590 A N 4.232 127.111 122.820 0.098 0.000 2.515 590 A HA 0.425 4.745 4.320 -0.001 0.000 0.296 590 A C -1.359 176.248 177.584 0.038 0.000 1.094 590 A CA -0.715 51.393 52.037 0.117 0.000 0.718 590 A CB 1.947 21.011 19.000 0.107 0.000 1.307 590 A HN 0.659 nan 8.150 nan 0.000 0.408 591 Q N 0.930 120.761 119.800 0.051 0.000 2.337 591 Q HA 0.644 4.984 4.340 -0.001 0.000 0.270 591 Q C -1.972 174.030 176.000 0.003 0.000 1.043 591 Q CA -0.538 55.254 55.803 -0.019 0.000 0.794 591 Q CB 2.137 30.902 28.738 0.044 0.000 1.281 591 Q HN 0.582 nan 8.270 nan 0.000 0.446 592 V N 2.629 122.476 119.914 -0.111 0.000 2.483 592 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 592 V C -0.465 175.807 176.094 0.297 0.000 1.035 592 V CA -0.288 62.062 62.300 0.084 0.000 0.896 592 V CB 1.847 33.695 31.823 0.043 0.000 0.986 592 V HN 0.857 nan 8.190 nan 0.000 0.447 593 S N 4.807 120.705 115.700 0.329 0.000 2.632 593 S HA 0.688 5.157 4.470 -0.001 0.000 0.289 593 S C -2.767 171.889 174.600 0.093 0.000 1.115 593 S CA -1.170 57.207 58.200 0.294 0.000 0.889 593 S CB 2.384 65.709 63.200 0.208 0.000 1.116 593 S HN 0.538 nan 8.310 nan 0.000 0.486 594 P HA 0.264 nan 4.420 nan 0.000 0.274 594 P C -1.162 175.800 177.300 -0.563 0.000 1.256 594 P CA -0.509 62.195 63.100 -0.659 0.000 0.795 594 P CB 0.384 31.276 31.700 -1.347 0.000 1.038 595 V N 1.780 121.288 119.914 -0.676 0.000 2.334 595 V HA 0.182 4.302 4.120 -0.001 0.000 0.267 595 V C -0.546 175.246 176.094 -0.504 0.000 1.040 595 V CA -0.156 61.821 62.300 -0.539 0.000 0.866 595 V CB -0.542 30.855 31.823 -0.709 0.000 1.019 595 V HN 0.515 nan 8.190 nan 0.000 0.468 596 W N 2.913 124.125 121.300 -0.146 0.000 2.433 596 W HA 0.595 5.254 4.660 -0.001 0.000 0.315 596 W C 0.306 176.761 176.519 -0.107 0.000 1.087 596 W CA -0.415 56.838 57.345 -0.154 0.000 1.205 596 W CB 1.702 31.080 29.460 -0.137 0.000 1.288 596 W HN 0.364 nan 8.180 nan 0.000 0.504 597 S N 2.328 118.089 115.700 0.102 0.000 2.659 597 S HA 0.299 4.768 4.470 -0.001 0.000 0.312 597 S C -1.351 173.070 174.600 -0.297 0.000 1.114 597 S CA -0.763 57.419 58.200 -0.031 0.000 1.063 597 S CB 0.462 63.686 63.200 0.040 0.000 0.996 597 S HN 0.324 nan 8.310 nan 0.000 0.478 598 W N 3.139 124.243 121.300 -0.327 0.000 2.316 598 W HA 0.439 5.098 4.660 -0.001 0.000 0.321 598 W C 0.657 176.820 176.519 -0.593 0.000 1.203 598 W CA -0.194 56.959 57.345 -0.320 0.000 1.214 598 W CB 0.542 29.905 29.460 -0.160 0.000 1.169 598 W HN 0.545 nan 8.180 nan 0.000 0.561 599 H N 1.432 120.533 119.070 0.051 0.000 2.667 599 H HA 0.098 4.653 4.556 -0.001 0.000 0.353 599 H C -1.117 174.190 175.328 -0.034 0.000 1.072 599 H CA -1.000 55.013 56.048 -0.057 0.000 1.214 599 H CB 1.794 31.427 29.762 -0.215 0.000 1.600 599 H HN 0.409 nan 8.280 nan 0.000 0.527 600 H N 2.269 121.387 119.070 0.080 0.000 2.846 600 H HA 0.057 4.613 4.556 -0.001 0.000 0.278 600 H C -0.538 174.828 175.328 0.063 0.000 1.117 600 H CA -0.304 55.783 56.048 0.066 0.000 1.406 600 H CB 0.309 30.102 29.762 0.051 0.000 1.445 600 H HN 0.426 nan 8.280 nan 0.000 0.469 601 D N 3.717 123.831 120.400 -0.478 0.000 2.365 601 D HA -0.014 4.625 4.640 -0.001 0.000 0.237 601 D C 0.967 176.991 176.300 -0.460 0.000 1.190 601 D CA 0.023 53.849 54.000 -0.291 0.000 0.867 601 D CB 0.900 41.718 40.800 0.030 0.000 1.050 601 D HN 0.788 nan 8.370 nan 0.000 0.491 602 T N 1.533 115.929 114.554 -0.264 0.000 3.035 602 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 602 T C 1.791 176.469 174.700 -0.037 0.000 1.109 602 T CA 0.144 62.189 62.100 -0.091 0.000 1.119 602 T CB 0.219 69.118 68.868 0.052 0.000 0.900 602 T HN 0.280 nan 8.240 nan 0.000 0.503 603 L N 2.140 123.336 121.223 -0.045 0.000 2.145 603 L HA 0.107 4.446 4.340 -0.001 0.000 0.201 603 L C 2.931 179.792 176.870 -0.016 0.000 1.075 603 L CA 2.080 56.910 54.840 -0.017 0.000 0.773 603 L CB -1.573 40.478 42.059 -0.013 0.000 0.936 603 L HN 0.556 nan 8.230 nan 0.000 0.451 604 T N -4.123 110.418 114.554 -0.020 0.000 3.100 604 T HA 0.003 4.353 4.350 -0.001 0.000 0.253 604 T C 0.778 175.479 174.700 0.002 0.000 1.118 604 T CA -0.190 61.904 62.100 -0.011 0.000 1.058 604 T CB 0.114 68.971 68.868 -0.018 0.000 0.953 604 T HN 0.103 nan 8.240 nan 0.000 0.515 605 K N 2.040 122.425 120.400 -0.024 0.000 3.096 605 K HA -0.128 4.192 4.320 -0.001 0.000 0.266 605 K C 0.098 176.750 176.600 0.088 0.000 1.043 605 K CA 1.243 57.554 56.287 0.041 0.000 0.758 605 K CB -2.908 29.644 32.500 0.086 0.000 1.260 605 K HN 0.870 nan 8.250 nan 0.000 0.481 606 T N -2.776 111.811 114.554 0.056 0.000 2.901 606 T HA 0.802 5.151 4.350 -0.001 0.000 0.293 606 T C 0.276 175.111 174.700 0.224 0.000 1.084 606 T CA -1.072 61.127 62.100 0.165 0.000 1.008 606 T CB 2.247 71.214 68.868 0.165 0.000 1.170 606 T HN 0.151 nan 8.240 nan 0.000 0.509 607 I N 3.050 123.795 120.570 0.291 0.000 2.330 607 I HA 0.516 4.685 4.170 -0.001 0.000 0.289 607 I C -0.307 176.083 176.117 0.454 0.000 1.001 607 I CA -0.690 60.805 61.300 0.325 0.000 1.193 607 I CB 0.530 38.705 38.000 0.291 0.000 1.345 607 I HN 0.926 nan 8.210 nan 0.000 0.461 608 H N 5.874 125.104 119.070 0.268 0.000 3.016 608 H HA 0.664 5.219 4.556 -0.001 0.000 0.362 608 H C -3.188 171.943 175.328 -0.328 0.000 1.233 608 H CA -2.353 53.694 56.048 -0.001 0.000 1.124 608 H CB 1.878 31.630 29.762 -0.018 0.000 1.850 608 H HN 0.155 nan 8.280 nan 0.000 0.549 609 P HA 0.223 nan 4.420 nan 0.000 0.290 609 P C -1.036 176.220 177.300 -0.073 0.000 1.275 609 P CA -0.636 61.967 63.100 -0.829 0.000 0.841 609 P CB 1.917 32.740 31.700 -1.462 0.000 1.042 610 Q N 0.685 120.562 119.800 0.128 0.000 2.377 610 Q HA 0.607 4.946 4.340 -0.001 0.000 0.271 610 Q C 0.055 176.166 176.000 0.185 0.000 1.077 610 Q CA -0.612 55.322 55.803 0.219 0.000 0.820 610 Q CB 2.905 31.704 28.738 0.102 0.000 1.347 610 Q HN 0.605 nan 8.270 nan 0.000 0.444 611 G N 0.366 109.140 108.800 -0.042 0.000 2.400 611 G HA2 0.373 4.333 3.960 -0.001 0.000 0.333 611 G HA3 0.373 4.333 3.960 -0.001 0.000 0.333 611 G C -0.468 174.192 174.900 -0.399 0.000 1.143 611 G CA -0.336 44.420 45.100 -0.572 0.000 0.914 611 G HN 0.410 nan 8.290 nan 0.000 0.480 612 S N -0.718 114.689 115.700 -0.489 0.000 2.576 612 S HA 0.328 4.798 4.470 -0.001 0.000 0.276 612 S C 1.518 175.867 174.600 -0.418 0.000 1.339 612 S CA 0.293 58.244 58.200 -0.416 0.000 1.039 612 S CB 0.731 63.627 63.200 -0.506 0.000 0.902 612 S HN 0.930 nan 8.310 nan 0.000 0.516 613 T N -0.217 114.169 114.554 -0.279 0.000 3.134 613 T HA 0.202 4.552 4.350 -0.001 0.000 0.260 613 T C 0.893 175.513 174.700 -0.133 0.000 1.027 613 T CA 0.373 62.377 62.100 -0.160 0.000 0.913 613 T CB -0.218 68.608 68.868 -0.070 0.000 1.046 613 T HN 0.704 nan 8.240 nan 0.000 0.553 614 T N -2.414 111.954 114.554 -0.311 0.000 3.186 614 T HA 0.407 4.756 4.350 -0.001 0.000 0.292 614 T C -0.021 174.451 174.700 -0.381 0.000 0.915 614 T CA -0.533 61.445 62.100 -0.202 0.000 0.902 614 T CB 0.278 69.083 68.868 -0.105 0.000 1.192 614 T HN 0.253 nan 8.240 nan 0.000 0.563 615 K N 0.562 120.486 120.400 -0.792 0.000 2.426 615 K HA 0.706 5.026 4.320 -0.001 0.000 0.251 615 K C -1.901 173.954 176.600 -1.242 0.000 0.941 615 K CA -0.778 55.080 56.287 -0.716 0.000 0.808 615 K CB 2.280 34.481 32.500 -0.499 0.000 1.265 615 K HN 0.143 nan 8.250 nan 0.000 0.432 616 Y N -0.082 120.115 120.300 -0.171 0.000 2.581 616 Y HA 0.466 5.015 4.550 -0.001 0.000 0.345 616 Y C -0.281 175.587 175.900 -0.054 0.000 1.036 616 Y CA -1.159 56.866 58.100 -0.125 0.000 1.042 616 Y CB 1.930 40.396 38.460 0.009 0.000 1.289 616 Y HN 0.211 nan 8.280 nan 0.000 0.471 617 R N 1.775 122.369 120.500 0.156 0.000 2.338 617 R HA 0.582 4.922 4.340 -0.001 0.000 0.317 617 R C -1.335 175.127 176.300 0.270 0.000 0.968 617 R CA -0.665 55.580 56.100 0.243 0.000 0.849 617 R CB 1.593 32.016 30.300 0.204 0.000 1.128 617 R HN 0.666 nan 8.270 nan 0.000 0.448 618 I N 4.483 125.241 120.570 0.314 0.000 2.441 618 I HA 0.437 4.607 4.170 -0.001 0.000 0.295 618 I C -1.097 175.212 176.117 0.319 0.000 0.994 618 I CA -0.830 60.648 61.300 0.296 0.000 1.144 618 I CB 1.165 39.353 38.000 0.313 0.000 1.314 618 I HN 0.535 nan 8.210 nan 0.000 0.445 619 I N 7.998 128.724 120.570 0.260 0.000 2.498 619 I HA 0.528 4.697 4.170 -0.001 0.000 0.290 619 I C -0.936 175.335 176.117 0.257 0.000 1.032 619 I CA -0.462 60.941 61.300 0.172 0.000 1.073 619 I CB 1.686 39.746 38.000 0.100 0.000 1.251 619 I HN 0.499 nan 8.210 nan 0.000 0.426 620 F N 2.402 122.382 119.950 0.050 0.000 2.713 620 F HA 0.580 5.106 4.527 -0.001 0.000 0.311 620 F C -1.077 174.710 175.800 -0.021 0.000 1.141 620 F CA -1.274 56.732 58.000 0.010 0.000 0.939 620 F CB 1.363 40.356 39.000 -0.012 0.000 1.325 620 F HN 0.227 nan 8.300 nan 0.000 0.453 621 K N 1.940 122.435 120.400 0.160 0.000 2.285 621 K HA 0.731 5.051 4.320 -0.001 0.000 0.286 621 K C -0.674 175.972 176.600 0.077 0.000 1.072 621 K CA -0.390 55.923 56.287 0.043 0.000 0.913 621 K CB 0.933 33.493 32.500 0.100 0.000 1.067 621 K HN 0.929 nan 8.250 nan 0.000 0.479 622 A N 4.637 127.405 122.820 -0.087 0.000 2.310 622 A HA 0.383 4.703 4.320 -0.001 0.000 0.299 622 A C -0.601 177.121 177.584 0.231 0.000 1.147 622 A CA -0.665 51.398 52.037 0.043 0.000 0.818 622 A CB 0.656 19.640 19.000 -0.027 0.000 1.096 622 A HN 0.881 nan 8.150 nan 0.000 0.495 623 R N 2.139 122.891 120.500 0.419 0.000 2.360 623 R HA 0.599 4.938 4.340 -0.001 0.000 0.318 623 R C -1.869 174.700 176.300 0.448 0.000 0.950 623 R CA -0.229 56.103 56.100 0.388 0.000 0.837 623 R CB 1.242 31.751 30.300 0.348 0.000 1.165 623 R HN 0.498 nan 8.270 nan 0.000 0.458 624 V N 6.267 126.404 119.914 0.371 0.000 2.656 624 V HA 0.460 4.580 4.120 -0.001 0.000 0.307 624 V C -2.251 173.767 176.094 -0.126 0.000 1.051 624 V CA -2.332 60.084 62.300 0.192 0.000 0.893 624 V CB 1.956 33.863 31.823 0.140 0.000 0.999 624 V HN 0.782 nan 8.190 nan 0.000 0.426 625 P HA 0.225 nan 4.420 nan 0.000 0.271 625 P C -2.745 174.082 177.300 -0.788 0.000 1.244 625 P CA -1.381 60.843 63.100 -1.459 0.000 0.793 625 P CB -0.236 30.793 31.700 -1.119 0.000 0.984 626 P HA 0.082 nan 4.420 nan 0.000 0.264 626 P C 0.104 177.359 177.300 -0.075 0.000 1.193 626 P CA 0.620 63.530 63.100 -0.318 0.000 0.763 626 P CB -0.242 31.341 31.700 -0.194 0.000 0.810 627 M N 0.270 119.871 119.600 0.002 0.000 2.253 627 M HA -0.215 4.265 4.480 -0.001 0.000 0.199 627 M C 0.569 177.073 176.300 0.340 0.000 0.342 627 M CA 1.014 56.455 55.300 0.235 0.000 0.417 627 M CB -2.060 30.768 32.600 0.380 0.000 1.338 627 M HN 0.595 nan 8.290 nan 0.000 0.920 628 G N -0.227 108.630 108.800 0.095 0.000 3.086 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.282 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.282 628 G C -1.373 173.663 174.900 0.227 0.000 1.343 628 G CA -0.975 44.157 45.100 0.053 0.000 0.895 628 G HN 0.175 nan 8.290 nan 0.000 0.557 629 L N -0.491 120.849 121.223 0.196 0.000 2.409 629 L HA 0.805 5.144 4.340 -0.001 0.000 0.262 629 L C -0.262 176.712 176.870 0.173 0.000 0.992 629 L CA -1.022 53.964 54.840 0.243 0.000 0.817 629 L CB 2.470 44.678 42.059 0.249 0.000 1.350 629 L HN 0.779 nan 8.230 nan 0.000 0.411 630 A N 0.839 123.802 122.820 0.237 0.000 2.455 630 A HA 0.814 5.133 4.320 -0.001 0.000 0.300 630 A C -0.821 176.921 177.584 0.263 0.000 1.040 630 A CA -0.445 51.714 52.037 0.203 0.000 0.697 630 A CB 1.796 20.958 19.000 0.271 0.000 1.265 630 A HN 0.551 nan 8.150 nan 0.000 0.407 631 T N 2.013 116.622 114.554 0.092 0.000 2.824 631 T HA 0.664 5.013 4.350 -0.001 0.000 0.280 631 T C -1.088 173.556 174.700 -0.093 0.000 0.995 631 T CA 0.194 62.403 62.100 0.181 0.000 1.009 631 T CB 0.427 69.403 68.868 0.180 0.000 0.955 631 T HN 0.440 nan 8.240 nan 0.000 0.452 632 Y N 0.270 120.672 120.300 0.170 0.000 2.605 632 Y HA 0.672 5.222 4.550 -0.001 0.000 0.343 632 Y C -0.344 175.497 175.900 -0.098 0.000 1.036 632 Y CA -1.143 56.970 58.100 0.021 0.000 1.065 632 Y CB 1.703 40.184 38.460 0.035 0.000 1.288 632 Y HN 0.304 nan 8.280 nan 0.000 0.481 633 V N 3.125 123.011 119.914 -0.046 0.000 2.588 633 V HA 0.429 4.549 4.120 -0.001 0.000 0.304 633 V C -0.759 175.271 176.094 -0.107 0.000 1.042 633 V CA -0.949 61.246 62.300 -0.174 0.000 0.877 633 V CB 1.739 33.388 31.823 -0.290 0.000 0.996 633 V HN 0.494 nan 8.190 nan 0.000 0.425 634 L N 3.957 125.140 121.223 -0.066 0.000 2.282 634 L HA 0.674 5.014 4.340 -0.001 0.000 0.288 634 L C -0.080 176.798 176.870 0.012 0.000 1.033 634 L CA -0.103 54.717 54.840 -0.033 0.000 0.807 634 L CB 1.797 43.853 42.059 -0.005 0.000 1.209 634 L HN 0.610 nan 8.230 nan 0.000 0.423 635 T N 3.706 118.275 114.554 0.024 0.000 2.861 635 T HA 0.457 4.806 4.350 -0.001 0.000 0.287 635 T C -0.221 174.524 174.700 0.075 0.000 1.003 635 T CA -0.387 61.742 62.100 0.048 0.000 0.977 635 T CB 2.362 71.248 68.868 0.030 0.000 0.996 635 T HN 0.380 nan 8.240 nan 0.000 0.448 636 I N 3.033 123.656 120.570 0.090 0.000 2.662 636 I HA 0.540 4.710 4.170 -0.001 0.000 0.291 636 I C 0.337 176.517 176.117 0.104 0.000 1.046 636 I CA 0.221 61.590 61.300 0.116 0.000 1.361 636 I CB 0.752 38.824 38.000 0.121 0.000 1.429 636 I HN 0.841 nan 8.210 nan 0.000 0.558 637 S N 3.545 119.325 115.700 0.134 0.000 2.732 637 S HA 0.394 4.863 4.470 -0.001 0.000 0.293 637 S C -0.112 174.525 174.600 0.062 0.000 1.159 637 S CA -0.815 57.429 58.200 0.074 0.000 0.847 637 S CB 1.569 64.790 63.200 0.036 0.000 1.169 637 S HN 0.624 nan 8.310 nan 0.000 0.501 638 D N 0.899 121.273 120.400 -0.044 0.000 2.347 638 D HA 0.201 4.841 4.640 -0.001 0.000 0.213 638 D C 0.683 176.735 176.300 -0.414 0.000 0.985 638 D CA 0.969 54.905 54.000 -0.107 0.000 0.879 638 D CB 0.321 41.070 40.800 -0.085 0.000 0.919 638 D HN 0.663 nan 8.370 nan 0.000 0.526 639 S N -1.378 113.975 115.700 -0.579 0.000 2.727 639 S HA 0.308 4.777 4.470 -0.001 0.000 0.278 639 S C -0.671 173.483 174.600 -0.744 0.000 1.186 639 S CA -1.064 56.528 58.200 -1.012 0.000 0.836 639 S CB 1.901 64.795 63.200 -0.511 0.000 1.186 639 S HN -0.202 nan 8.310 nan 0.000 0.499 640 K N 1.991 122.069 120.400 -0.538 0.000 2.466 640 K HA 0.183 4.503 4.320 -0.001 0.000 0.278 640 K C -2.394 174.215 176.600 0.016 0.000 1.048 640 K CA -0.544 55.735 56.287 -0.014 0.000 1.088 640 K CB -0.502 32.032 32.500 0.056 0.000 0.884 640 K HN 0.364 nan 8.250 nan 0.000 0.478 641 P HA 0.003 nan 4.420 nan 0.000 0.274 641 P C 0.458 177.757 177.300 -0.002 0.000 1.231 641 P CA -0.318 62.811 63.100 0.048 0.000 0.790 641 P CB 0.746 32.500 31.700 0.089 0.000 0.951 642 E N 0.940 121.088 120.200 -0.087 0.000 2.153 642 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 642 E C 0.469 176.847 176.600 -0.369 0.000 0.988 642 E CA 1.124 57.370 56.400 -0.257 0.000 0.811 642 E CB -0.026 29.435 29.700 -0.399 0.000 0.746 642 E HN 0.466 nan 8.360 nan 0.000 0.466 643 H N -0.551 118.528 119.070 0.015 0.000 2.505 643 H HA 0.231 4.786 4.556 -0.001 0.000 0.286 643 H C -0.471 174.851 175.328 -0.010 0.000 1.072 643 H CA 0.167 56.219 56.048 0.007 0.000 1.141 643 H CB 0.730 30.496 29.762 0.007 0.000 1.550 643 H HN -0.053 nan 8.280 nan 0.000 0.547 644 T N 1.486 116.057 114.554 0.028 0.000 2.792 644 T HA 0.323 4.673 4.350 -0.001 0.000 0.280 644 T C 0.397 174.975 174.700 -0.205 0.000 0.990 644 T CA -0.663 61.387 62.100 -0.084 0.000 0.960 644 T CB 2.048 70.859 68.868 -0.094 0.000 0.939 644 T HN 0.284 nan 8.240 nan 0.000 0.439 645 S N 2.515 118.055 115.700 -0.265 0.000 2.718 645 S HA 0.772 5.242 4.470 -0.001 0.000 0.300 645 S C -1.339 172.905 174.600 -0.593 0.000 1.117 645 S CA -0.789 57.258 58.200 -0.255 0.000 1.002 645 S CB 0.846 64.015 63.200 -0.051 0.000 1.092 645 S HN 0.578 nan 8.310 nan 0.000 0.542 646 Y N -0.076 120.231 120.300 0.013 0.000 2.391 646 Y HA 0.648 5.197 4.550 -0.001 0.000 0.341 646 Y C 0.564 176.516 175.900 0.087 0.000 0.965 646 Y CA -0.788 57.304 58.100 -0.013 0.000 1.067 646 Y CB 1.759 40.074 38.460 -0.242 0.000 1.199 646 Y HN 1.031 nan 8.280 nan 0.000 0.450 647 A N 2.013 125.025 122.820 0.319 0.000 2.407 647 A HA 0.486 4.806 4.320 -0.001 0.000 0.248 647 A C 0.279 178.061 177.584 0.330 0.000 1.082 647 A CA -0.332 51.877 52.037 0.286 0.000 0.785 647 A CB -0.055 19.114 19.000 0.283 0.000 1.020 647 A HN 0.767 nan 8.150 nan 0.000 0.489 648 S N 2.139 117.969 115.700 0.217 0.000 2.632 648 S HA 0.515 4.984 4.470 -0.001 0.000 0.271 648 S C -0.316 174.385 174.600 0.168 0.000 1.260 648 S CA -0.845 57.468 58.200 0.188 0.000 1.010 648 S CB 0.686 63.954 63.200 0.113 0.000 0.965 648 S HN 0.695 nan 8.310 nan 0.000 0.534 649 N N 0.467 119.244 118.700 0.128 0.000 2.260 649 N HA 0.495 5.234 4.740 -0.001 0.000 0.293 649 N C -1.984 173.478 175.510 -0.081 0.000 1.058 649 N CA -0.540 52.547 53.050 0.061 0.000 0.824 649 N CB 2.039 40.651 38.487 0.209 0.000 1.551 649 N HN 0.587 nan 8.380 nan 0.000 0.475 650 L N 2.381 123.516 121.223 -0.147 0.000 2.406 650 L HA 0.499 4.838 4.340 -0.001 0.000 0.272 650 L C -1.536 175.194 176.870 -0.233 0.000 0.980 650 L CA -0.493 54.231 54.840 -0.193 0.000 0.831 650 L CB 1.553 43.551 42.059 -0.102 0.000 1.253 650 L HN 0.450 nan 8.230 nan 0.000 0.406 651 L N 6.594 127.643 121.223 -0.290 0.000 2.262 651 L HA 0.463 4.802 4.340 -0.001 0.000 0.288 651 L C -1.163 175.702 176.870 -0.009 0.000 1.035 651 L CA -0.478 54.257 54.840 -0.175 0.000 0.820 651 L CB 1.243 43.218 42.059 -0.141 0.000 1.204 651 L HN 0.686 nan 8.230 nan 0.000 0.424 652 L N 6.730 127.954 121.223 0.002 0.000 2.265 652 L HA 0.539 4.879 4.340 -0.001 0.000 0.289 652 L C -0.323 176.586 176.870 0.066 0.000 1.033 652 L CA -0.490 54.377 54.840 0.044 0.000 0.814 652 L CB 1.031 43.108 42.059 0.030 0.000 1.203 652 L HN 0.657 nan 8.230 nan 0.000 0.423 653 R N 1.847 122.394 120.500 0.077 0.000 2.739 653 R HA 0.420 4.760 4.340 -0.001 0.000 0.266 653 R C -1.621 174.707 176.300 0.048 0.000 1.044 653 R CA -1.058 55.079 56.100 0.063 0.000 0.885 653 R CB 1.073 31.408 30.300 0.059 0.000 1.260 653 R HN 0.194 nan 8.270 nan 0.000 0.477 654 K N 1.536 121.955 120.400 0.032 0.000 2.219 654 K HA 0.236 4.556 4.320 -0.001 0.000 0.258 654 K C -0.302 176.292 176.600 -0.010 0.000 1.008 654 K CA -0.227 56.068 56.287 0.014 0.000 0.928 654 K CB 0.333 32.841 32.500 0.014 0.000 0.983 654 K HN 0.793 nan 8.250 nan 0.000 0.484 655 N N 0.539 119.223 118.700 -0.027 0.000 2.688 655 N HA -0.129 4.610 4.740 -0.001 0.000 0.258 655 N C -2.482 172.971 175.510 -0.094 0.000 1.016 655 N CA 0.399 53.414 53.050 -0.058 0.000 0.747 655 N CB -1.604 36.853 38.487 -0.050 0.000 0.895 655 N HN 0.495 nan 8.380 nan 0.000 0.543 656 P HA 0.203 nan 4.420 nan 0.000 0.274 656 P C 0.241 177.365 177.300 -0.294 0.000 1.246 656 P CA 0.099 63.084 63.100 -0.190 0.000 0.795 656 P CB 0.934 32.485 31.700 -0.249 0.000 1.006 657 T N -2.918 111.449 114.554 -0.311 0.000 2.907 657 T HA 0.491 4.841 4.350 -0.001 0.000 0.290 657 T C 0.275 174.769 174.700 -0.345 0.000 1.066 657 T CA -0.754 61.169 62.100 -0.297 0.000 1.012 657 T CB 0.665 69.427 68.868 -0.177 0.000 1.184 657 T HN 0.483 nan 8.240 nan 0.000 0.522 658 S N 0.498 116.060 115.700 -0.230 0.000 2.584 658 S HA 0.461 4.931 4.470 -0.001 0.000 0.270 658 S C -0.183 174.505 174.600 0.147 0.000 1.346 658 S CA -0.809 57.352 58.200 -0.066 0.000 1.018 658 S CB -0.284 62.907 63.200 -0.015 0.000 0.899 658 S HN 0.696 nan 8.310 nan 0.000 0.542 659 L N 1.936 123.360 121.223 0.335 0.000 2.470 659 L HA 0.371 4.711 4.340 -0.001 0.000 0.256 659 L C -2.386 174.593 176.870 0.181 0.000 1.357 659 L CA -1.559 53.450 54.840 0.282 0.000 0.902 659 L CB 1.630 43.938 42.059 0.416 0.000 1.121 659 L HN 0.585 nan 8.230 nan 0.000 0.507 660 P HA 0.175 nan 4.420 nan 0.000 0.272 660 P C -0.059 177.240 177.300 -0.002 0.000 1.223 660 P CA -0.155 62.981 63.100 0.060 0.000 0.784 660 P CB 1.747 33.469 31.700 0.038 0.000 0.923 661 L N 0.909 122.138 121.223 0.011 0.000 3.347 661 L HA 0.277 4.616 4.340 -0.001 0.000 0.306 661 L C 1.362 178.289 176.870 0.096 0.000 1.301 661 L CA -0.094 54.726 54.840 -0.033 0.000 0.985 661 L CB 0.071 42.086 42.059 -0.073 0.000 1.400 661 L HN 0.736 nan 8.230 nan 0.000 0.601 662 G N 0.951 109.792 108.800 0.068 0.000 2.611 662 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.301 662 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.301 662 G C 0.499 175.453 174.900 0.090 0.000 1.233 662 G CA 0.609 45.770 45.100 0.101 0.000 0.993 662 G HN 0.442 nan 8.290 nan 0.000 0.553 663 Q N -0.443 119.393 119.800 0.061 0.000 2.482 663 Q HA 0.165 4.505 4.340 -0.001 0.000 0.209 663 Q C 0.719 176.558 176.000 -0.268 0.000 0.961 663 Q CA 0.109 55.846 55.803 -0.110 0.000 0.945 663 Q CB 0.198 28.791 28.738 -0.242 0.000 1.012 663 Q HN 0.479 nan 8.270 nan 0.000 0.515 664 Y N 3.136 123.237 120.300 -0.331 0.000 2.721 664 Y HA -0.041 4.508 4.550 -0.001 0.000 0.329 664 Y C -1.462 174.285 175.900 -0.255 0.000 1.211 664 Y CA -1.562 56.320 58.100 -0.363 0.000 1.512 664 Y CB 0.835 39.224 38.460 -0.118 0.000 1.249 664 Y HN 0.067 nan 8.280 nan 0.000 0.549 665 P HA -0.042 nan 4.420 nan 0.000 0.245 665 P C -0.709 176.420 177.300 -0.286 0.000 1.212 665 P CA 0.664 63.487 63.100 -0.462 0.000 0.774 665 P CB 0.287 31.617 31.700 -0.616 0.000 0.999 666 E N 0.786 120.857 120.200 -0.215 0.000 2.199 666 E HA 0.249 4.598 4.350 -0.001 0.000 0.265 666 E C -0.905 175.798 176.600 0.172 0.000 0.882 666 E CA -0.816 55.595 56.400 0.017 0.000 0.759 666 E CB 0.661 30.402 29.700 0.068 0.000 1.148 666 E HN -0.211 nan 8.360 nan 0.000 0.412 667 D N 2.773 123.241 120.400 0.113 0.000 2.382 667 D HA 0.101 4.741 4.640 -0.001 0.000 0.245 667 D C -0.110 176.248 176.300 0.097 0.000 1.120 667 D CA -0.193 53.880 54.000 0.123 0.000 0.890 667 D CB 1.208 42.067 40.800 0.099 0.000 1.201 667 D HN 0.232 nan 8.370 nan 0.000 0.433 668 V N 2.661 122.616 119.914 0.068 0.000 2.763 668 V HA -0.024 4.096 4.120 -0.001 0.000 0.306 668 V C 0.662 176.555 176.094 -0.335 0.000 1.059 668 V CA 0.239 62.471 62.300 -0.113 0.000 1.138 668 V CB 0.508 32.243 31.823 -0.146 0.000 0.940 668 V HN 0.372 nan 8.190 nan 0.000 0.489 669 K N 3.284 123.432 120.400 -0.420 0.000 2.166 669 K HA 0.760 5.079 4.320 -0.001 0.000 0.245 669 K C -1.007 175.175 176.600 -0.697 0.000 0.967 669 K CA -0.229 55.847 56.287 -0.351 0.000 0.863 669 K CB 1.289 33.722 32.500 -0.111 0.000 1.107 669 K HN 0.414 nan 8.250 nan 0.000 0.436 670 F N -0.669 119.293 119.950 0.020 0.000 2.588 670 F HA 0.787 5.314 4.527 -0.001 0.000 0.314 670 F C 0.521 176.324 175.800 0.006 0.000 1.069 670 F CA -0.682 57.321 58.000 0.004 0.000 0.931 670 F CB 2.773 41.773 39.000 0.001 0.000 1.260 670 F HN 0.521 nan 8.300 nan 0.000 0.465 671 G N 0.349 109.259 108.800 0.183 0.000 2.576 671 G HA2 0.414 4.373 3.960 -0.001 0.000 0.290 671 G HA3 0.414 4.373 3.960 -0.001 0.000 0.290 671 G C -2.159 172.794 174.900 0.088 0.000 1.442 671 G CA -0.847 44.318 45.100 0.108 0.000 0.792 671 G HN 0.372 nan 8.290 nan 0.000 0.491 672 D N 0.725 121.163 120.400 0.064 0.000 2.357 672 D HA 0.388 5.028 4.640 -0.001 0.000 0.242 672 D C -2.008 174.321 176.300 0.050 0.000 1.153 672 D CA -0.641 53.390 54.000 0.052 0.000 0.918 672 D CB 0.903 41.727 40.800 0.041 0.000 1.181 672 D HN 0.003 nan 8.370 nan 0.000 0.435 673 P HA 0.095 nan 4.420 nan 0.000 0.264 673 P C -0.468 176.861 177.300 0.049 0.000 1.183 673 P CA 0.359 63.490 63.100 0.052 0.000 0.763 673 P CB 0.431 32.164 31.700 0.055 0.000 0.807 674 R N 0.468 120.999 120.500 0.052 0.000 2.716 674 R HA 0.443 4.783 4.340 -0.001 0.000 0.271 674 R C -1.113 175.226 176.300 0.065 0.000 1.028 674 R CA -1.030 55.101 56.100 0.050 0.000 0.883 674 R CB 1.141 31.466 30.300 0.043 0.000 1.250 674 R HN 0.224 nan 8.270 nan 0.000 0.465 675 E N 1.510 121.748 120.200 0.063 0.000 2.398 675 E HA 0.292 4.642 4.350 -0.001 0.000 0.263 675 E C -0.027 176.628 176.600 0.092 0.000 1.046 675 E CA -0.103 56.348 56.400 0.084 0.000 0.908 675 E CB 0.913 30.645 29.700 0.053 0.000 0.963 675 E HN 0.456 nan 8.360 nan 0.000 0.431 676 I N -2.296 118.364 120.570 0.150 0.000 2.994 676 I HA 0.549 4.718 4.170 -0.001 0.000 0.306 676 I C -0.701 175.559 176.117 0.239 0.000 1.195 676 I CA -0.872 60.517 61.300 0.149 0.000 1.001 676 I CB 2.463 40.526 38.000 0.106 0.000 1.244 676 I HN 0.143 nan 8.210 nan 0.000 0.437 677 S N 3.352 119.163 115.700 0.185 0.000 2.548 677 S HA 0.847 5.316 4.470 -0.001 0.000 0.286 677 S C -0.835 173.883 174.600 0.197 0.000 1.098 677 S CA -0.640 57.684 58.200 0.207 0.000 0.930 677 S CB 1.855 65.124 63.200 0.115 0.000 1.070 677 S HN 0.514 nan 8.310 nan 0.000 0.480 678 L N 1.924 123.292 121.223 0.241 0.000 2.434 678 L HA 0.662 5.001 4.340 -0.001 0.000 0.260 678 L C -0.535 176.432 176.870 0.161 0.000 0.983 678 L CA -0.638 54.314 54.840 0.188 0.000 0.820 678 L CB 2.339 44.522 42.059 0.208 0.000 1.361 678 L HN 0.489 nan 8.230 nan 0.000 0.410 679 R N 1.671 122.242 120.500 0.118 0.000 2.515 679 R HA 0.657 4.997 4.340 -0.001 0.000 0.291 679 R C -1.928 174.422 176.300 0.083 0.000 1.046 679 R CA -0.493 55.665 56.100 0.096 0.000 0.914 679 R CB 2.253 32.600 30.300 0.079 0.000 1.191 679 R HN 0.400 nan 8.270 nan 0.000 0.435 680 V N 4.725 124.686 119.914 0.079 0.000 2.427 680 V HA 0.543 4.662 4.120 -0.001 0.000 0.286 680 V C 1.089 177.217 176.094 0.056 0.000 1.034 680 V CA 0.659 63.000 62.300 0.068 0.000 0.893 680 V CB 1.043 32.909 31.823 0.071 0.000 0.982 680 V HN 1.113 nan 8.190 nan 0.000 0.452 681 G N 5.388 114.219 108.800 0.051 0.000 2.596 681 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.295 681 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.295 681 G C 0.609 175.532 174.900 0.038 0.000 1.240 681 G CA 0.651 45.777 45.100 0.043 0.000 0.985 681 G HN 0.679 nan 8.290 nan 0.000 0.555 682 N N 2.212 120.931 118.700 0.031 0.000 2.461 682 N HA 0.207 4.946 4.740 -0.001 0.000 0.188 682 N C 1.498 177.021 175.510 0.022 0.000 1.134 682 N CA 1.266 54.330 53.050 0.024 0.000 0.878 682 N CB -0.232 38.266 38.487 0.017 0.000 0.972 682 N HN 0.858 nan 8.380 nan 0.000 0.456 683 G N 1.427 110.245 108.800 0.029 0.000 2.486 683 G HA2 0.157 4.116 3.960 -0.001 0.000 0.272 683 G HA3 0.157 4.116 3.960 -0.001 0.000 0.272 683 G C -2.297 172.618 174.900 0.025 0.000 1.426 683 G CA -0.582 44.534 45.100 0.027 0.000 1.058 683 G HN 0.045 nan 8.290 nan 0.000 0.531 684 P HA 0.193 nan 4.420 nan 0.000 0.272 684 P C -0.492 176.833 177.300 0.042 0.000 1.223 684 P CA 0.060 63.172 63.100 0.019 0.000 0.784 684 P CB 0.790 32.498 31.700 0.012 0.000 0.923 685 T N 2.866 117.444 114.554 0.040 0.000 2.767 685 T HA 0.439 4.789 4.350 -0.001 0.000 0.288 685 T C 0.065 174.808 174.700 0.071 0.000 0.963 685 T CA -0.333 61.814 62.100 0.078 0.000 1.019 685 T CB 0.062 68.991 68.868 0.101 0.000 0.923 685 T HN 0.178 nan 8.240 nan 0.000 0.468 686 L N 2.751 124.021 121.223 0.078 0.000 2.322 686 L HA 0.763 5.103 4.340 -0.001 0.000 0.281 686 L C 0.177 176.996 176.870 -0.084 0.000 1.014 686 L CA -1.152 53.657 54.840 -0.053 0.000 0.815 686 L CB 1.559 43.582 42.059 -0.061 0.000 1.247 686 L HN 0.645 nan 8.230 nan 0.000 0.421 687 A N 3.241 125.916 122.820 -0.241 0.000 2.337 687 A HA 0.868 5.188 4.320 -0.001 0.000 0.329 687 A C -1.203 176.131 177.584 -0.417 0.000 1.146 687 A CA -0.307 51.637 52.037 -0.155 0.000 0.800 687 A CB 0.839 19.781 19.000 -0.097 0.000 1.220 687 A HN 0.505 nan 8.150 nan 0.000 0.472 688 F N 0.793 120.778 119.950 0.058 0.000 2.546 688 F HA 0.528 5.055 4.527 -0.001 0.000 0.320 688 F C 1.090 176.928 175.800 0.063 0.000 1.076 688 F CA -0.277 57.775 58.000 0.086 0.000 0.928 688 F CB 2.202 41.259 39.000 0.095 0.000 1.189 688 F HN 0.679 nan 8.300 nan 0.000 0.465 689 S N 0.092 115.940 115.700 0.246 0.000 2.608 689 S HA 0.115 4.584 4.470 -0.001 0.000 0.261 689 S C 1.013 175.713 174.600 0.167 0.000 1.314 689 S CA -0.100 58.191 58.200 0.151 0.000 0.992 689 S CB 0.756 64.037 63.200 0.135 0.000 0.935 689 S HN 0.847 nan 8.310 nan 0.000 0.564 690 E N -0.149 120.117 120.200 0.111 0.000 2.409 690 E HA -0.189 4.160 4.350 -0.001 0.000 0.198 690 E C 1.193 177.857 176.600 0.107 0.000 1.024 690 E CA 0.915 57.373 56.400 0.098 0.000 0.861 690 E CB -0.447 29.294 29.700 0.069 0.000 0.788 690 E HN 0.768 nan 8.360 nan 0.000 0.521 691 Q N 0.177 120.055 119.800 0.130 0.000 2.280 691 Q HA 0.217 4.557 4.340 -0.001 0.000 0.202 691 Q C 0.851 176.948 176.000 0.162 0.000 0.903 691 Q CA 0.471 56.353 55.803 0.132 0.000 0.948 691 Q CB 0.849 29.667 28.738 0.132 0.000 1.058 691 Q HN 0.471 nan 8.270 nan 0.000 0.493 692 G N 0.350 109.266 108.800 0.194 0.000 2.136 692 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.242 692 G C -0.323 174.814 174.900 0.395 0.000 0.989 692 G CA -0.179 45.047 45.100 0.210 0.000 0.682 692 G HN 0.271 nan 8.290 nan 0.000 0.522 693 L N -0.149 121.348 121.223 0.456 0.000 2.329 693 L HA 0.685 5.025 4.340 -0.001 0.000 0.279 693 L C 0.747 177.924 176.870 0.512 0.000 1.014 693 L CA -1.360 53.796 54.840 0.527 0.000 0.814 693 L CB 1.628 43.918 42.059 0.386 0.000 1.257 693 L HN 0.130 nan 8.230 nan 0.000 0.424 694 L N 3.374 124.875 121.223 0.464 0.000 2.559 694 L HA -0.050 4.290 4.340 -0.001 0.000 0.282 694 L C 1.047 177.984 176.870 0.111 0.000 1.232 694 L CA 0.946 55.792 54.840 0.011 0.000 0.885 694 L CB 0.186 42.296 42.059 0.086 0.000 1.131 694 L HN 0.827 nan 8.230 nan 0.000 0.498 695 K N 1.244 121.588 120.400 -0.095 0.000 2.474 695 K HA 0.328 4.647 4.320 -0.001 0.000 0.204 695 K C -0.132 176.392 176.600 -0.126 0.000 1.220 695 K CA 0.306 56.548 56.287 -0.075 0.000 0.966 695 K CB 0.435 32.860 32.500 -0.125 0.000 1.049 695 K HN 0.606 nan 8.250 nan 0.000 0.554 696 S N 0.303 115.908 115.700 -0.158 0.000 2.567 696 S HA 0.575 5.044 4.470 -0.001 0.000 0.270 696 S C -1.132 173.411 174.600 -0.096 0.000 1.152 696 S CA -1.015 57.123 58.200 -0.104 0.000 0.835 696 S CB 1.241 64.419 63.200 -0.036 0.000 1.115 696 S HN 0.176 nan 8.310 nan 0.000 0.459 697 I N 1.436 121.972 120.570 -0.057 0.000 2.466 697 I HA 0.445 4.614 4.170 -0.001 0.000 0.289 697 I C -0.520 175.576 176.117 -0.036 0.000 1.026 697 I CA -0.369 60.903 61.300 -0.047 0.000 1.078 697 I CB 2.091 40.051 38.000 -0.067 0.000 1.249 697 I HN 0.735 nan 8.210 nan 0.000 0.429 698 Q N 6.100 125.878 119.800 -0.037 0.000 2.368 698 Q HA 0.411 4.750 4.340 -0.001 0.000 0.263 698 Q C 0.051 175.997 176.000 -0.089 0.000 1.009 698 Q CA -0.502 55.216 55.803 -0.141 0.000 0.818 698 Q CB 1.583 30.143 28.738 -0.297 0.000 1.239 698 Q HN 0.779 nan 8.270 nan 0.000 0.464 699 L N 2.136 123.308 121.223 -0.084 0.000 2.056 699 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 699 L C 1.202 178.044 176.870 -0.047 0.000 1.078 699 L CA 1.197 56.005 54.840 -0.054 0.000 0.749 699 L CB -0.184 41.844 42.059 -0.052 0.000 0.901 699 L HN 0.663 nan 8.230 nan 0.000 0.433 700 T N -6.132 108.383 114.554 -0.064 0.000 2.906 700 T HA 0.185 4.535 4.350 -0.001 0.000 0.295 700 T C 0.577 175.244 174.700 -0.055 0.000 1.075 700 T CA -0.806 61.266 62.100 -0.047 0.000 1.005 700 T CB 2.007 70.851 68.868 -0.041 0.000 1.136 700 T HN -0.139 nan 8.240 nan 0.000 0.498 701 Q N 0.815 120.596 119.800 -0.031 0.000 2.268 701 Q HA -0.228 4.111 4.340 -0.001 0.000 0.213 701 Q C 1.398 177.376 176.000 -0.037 0.000 0.995 701 Q CA 2.829 58.618 55.803 -0.022 0.000 0.901 701 Q CB -0.319 28.415 28.738 -0.006 0.000 0.921 701 Q HN 0.979 nan 8.270 nan 0.000 0.421 702 D N -1.900 118.473 120.400 -0.046 0.000 2.422 702 D HA -0.006 4.633 4.640 -0.001 0.000 0.218 702 D C 0.714 176.975 176.300 -0.065 0.000 1.047 702 D CA 0.430 54.404 54.000 -0.042 0.000 0.885 702 D CB -0.217 40.566 40.800 -0.029 0.000 1.035 702 D HN 0.052 nan 8.370 nan 0.000 0.502 703 S N -0.013 115.633 115.700 -0.089 0.000 2.624 703 S HA 0.482 4.951 4.470 -0.001 0.000 0.263 703 S C -2.462 172.037 174.600 -0.168 0.000 1.287 703 S CA -1.172 56.967 58.200 -0.102 0.000 0.990 703 S CB 0.729 63.876 63.200 -0.089 0.000 0.950 703 S HN -0.102 nan 8.310 nan 0.000 0.561 704 P HA 0.222 nan 4.420 nan 0.000 0.274 704 P C -0.646 176.507 177.300 -0.245 0.000 1.237 704 P CA -0.318 62.694 63.100 -0.146 0.000 0.793 704 P CB 0.169 31.842 31.700 -0.046 0.000 0.977 705 H N 0.447 119.505 119.070 -0.019 0.000 3.015 705 H HA 0.125 4.680 4.556 -0.001 0.000 0.268 705 H C -0.146 175.154 175.328 -0.047 0.000 1.113 705 H CA -0.152 55.875 56.048 -0.035 0.000 1.479 705 H CB -0.158 29.582 29.762 -0.036 0.000 1.493 705 H HN 0.103 nan 8.280 nan 0.000 0.486 706 V N 7.404 127.319 119.914 0.002 0.000 2.455 706 V HA 0.079 4.199 4.120 -0.001 0.000 0.273 706 V C -1.872 174.175 176.094 -0.079 0.000 1.045 706 V CA -1.629 60.650 62.300 -0.034 0.000 0.976 706 V CB 0.882 32.674 31.823 -0.051 0.000 0.993 706 V HN 0.564 nan 8.190 nan 0.000 0.475 707 P HA 0.168 nan 4.420 nan 0.000 0.266 707 P C -0.795 176.367 177.300 -0.230 0.000 1.215 707 P CA 0.207 63.166 63.100 -0.235 0.000 0.763 707 P CB 0.523 31.936 31.700 -0.478 0.000 0.806 708 V N 4.134 123.941 119.914 -0.177 0.000 2.555 708 V HA 0.197 4.316 4.120 -0.001 0.000 0.283 708 V C -0.645 175.359 176.094 -0.150 0.000 1.020 708 V CA -0.466 61.718 62.300 -0.195 0.000 0.883 708 V CB 1.009 32.703 31.823 -0.214 0.000 1.030 708 V HN 0.556 nan 8.190 nan 0.000 0.448 709 H N 4.044 122.962 119.070 -0.254 0.000 2.457 709 H HA 0.665 5.220 4.556 -0.001 0.000 0.335 709 H C -1.272 173.926 175.328 -0.217 0.000 1.115 709 H CA -1.114 54.827 56.048 -0.177 0.000 1.219 709 H CB 1.231 30.927 29.762 -0.110 0.000 1.471 709 H HN 0.440 nan 8.280 nan 0.000 0.491 710 F N 3.620 123.343 119.950 -0.379 0.000 2.399 710 F HA 0.372 4.899 4.527 -0.001 0.000 0.334 710 F C 0.364 175.639 175.800 -0.876 0.000 1.097 710 F CA -0.413 57.272 58.000 -0.525 0.000 1.076 710 F CB 1.084 39.908 39.000 -0.295 0.000 1.162 710 F HN 0.362 nan 8.300 nan 0.000 0.495 711 K N 3.332 123.449 120.400 -0.471 0.000 2.523 711 K HA 0.465 4.784 4.320 -0.001 0.000 0.257 711 K C -1.979 174.341 176.600 -0.467 0.000 0.932 711 K CA -0.603 55.450 56.287 -0.391 0.000 0.812 711 K CB 1.483 33.810 32.500 -0.289 0.000 1.326 711 K HN 0.438 nan 8.250 nan 0.000 0.433 712 F N 3.891 123.755 119.950 -0.143 0.000 2.436 712 F HA 0.505 5.032 4.527 -0.001 0.000 0.340 712 F C -0.347 175.405 175.800 -0.080 0.000 1.113 712 F CA -0.584 57.349 58.000 -0.112 0.000 1.022 712 F CB 1.186 40.109 39.000 -0.127 0.000 1.128 712 F HN 0.238 nan 8.300 nan 0.000 0.466 713 L N 2.600 123.862 121.223 0.065 0.000 2.277 713 L HA 0.630 4.970 4.340 -0.001 0.000 0.254 713 L C -1.201 175.659 176.870 -0.016 0.000 1.044 713 L CA -1.029 53.800 54.840 -0.019 0.000 0.842 713 L CB 2.284 44.272 42.059 -0.119 0.000 1.422 713 L HN 0.467 nan 8.230 nan 0.000 0.422 714 K N -0.192 120.162 120.400 -0.077 0.000 2.443 714 K HA 0.631 4.950 4.320 -0.001 0.000 0.252 714 K C -1.769 174.764 176.600 -0.112 0.000 0.933 714 K CA -0.771 55.503 56.287 -0.022 0.000 0.792 714 K CB 1.666 34.182 32.500 0.027 0.000 1.185 714 K HN 0.262 nan 8.250 nan 0.000 0.425 715 Y N 0.682 121.042 120.300 0.100 0.000 2.352 715 Y HA 0.480 5.030 4.550 -0.001 0.000 0.326 715 Y C 1.100 177.056 175.900 0.094 0.000 1.166 715 Y CA -0.065 58.106 58.100 0.118 0.000 1.182 715 Y CB 1.986 40.583 38.460 0.229 0.000 1.216 715 Y HN 0.897 nan 8.280 nan 0.000 0.474 716 G N 0.596 109.538 108.800 0.236 0.000 2.971 716 G HA2 0.634 4.594 3.960 -0.001 0.000 0.235 716 G HA3 0.634 4.594 3.960 -0.001 0.000 0.235 716 G C -1.416 173.557 174.900 0.121 0.000 1.351 716 G CA -0.715 44.471 45.100 0.142 0.000 1.039 716 G HN 0.433 nan 8.290 nan 0.000 0.563 717 V N -0.181 119.773 119.914 0.066 0.000 2.864 717 V HA 0.477 4.596 4.120 -0.001 0.000 0.314 717 V C -0.098 175.993 176.094 -0.006 0.000 1.073 717 V CA -0.870 61.447 62.300 0.029 0.000 0.956 717 V CB 1.975 33.819 31.823 0.034 0.000 1.023 717 V HN 0.664 nan 8.190 nan 0.000 0.435 718 R N 1.243 121.714 120.500 -0.050 0.000 2.543 718 R HA 0.222 4.561 4.340 -0.001 0.000 0.277 718 R C 1.128 177.387 176.300 -0.068 0.000 1.074 718 R CA 0.395 56.432 56.100 -0.104 0.000 1.076 718 R CB 0.689 30.872 30.300 -0.195 0.000 0.993 718 R HN 0.914 nan 8.270 nan 0.000 0.459 719 S N 1.363 117.040 115.700 -0.039 0.000 2.501 719 S HA -0.029 4.441 4.470 -0.001 0.000 0.220 719 S C 0.578 175.234 174.600 0.094 0.000 0.997 719 S CA -0.043 58.181 58.200 0.040 0.000 0.919 719 S CB -0.143 63.105 63.200 0.080 0.000 0.778 719 S HN 0.765 nan 8.310 nan 0.000 0.523 720 H N -0.672 118.398 119.070 0.000 0.000 2.747 720 H HA 0.659 5.214 4.556 -0.001 0.000 0.371 720 H C 0.665 175.989 175.328 -0.006 0.000 1.161 720 H CA -0.372 55.674 56.048 -0.003 0.000 1.167 720 H CB 1.045 30.805 29.762 -0.003 0.000 1.732 720 H HN 0.397 nan 8.280 nan 0.000 0.544 721 G N 1.802 110.624 108.800 0.037 0.000 2.593 721 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.237 721 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.237 721 G C -1.019 173.851 174.900 -0.050 0.000 1.312 721 G CA -0.055 45.031 45.100 -0.022 0.000 0.896 721 G HN 0.790 nan 8.290 nan 0.000 0.574 722 D N 1.489 121.852 120.400 -0.061 0.000 2.345 722 D HA 0.455 5.094 4.640 -0.001 0.000 0.247 722 D C 0.933 177.198 176.300 -0.060 0.000 1.108 722 D CA 0.191 54.159 54.000 -0.053 0.000 0.894 722 D CB 0.623 41.391 40.800 -0.053 0.000 1.203 722 D HN 0.472 nan 8.370 nan 0.000 0.430 723 R N 1.104 121.579 120.500 -0.043 0.000 2.407 723 R HA 0.332 4.672 4.340 -0.001 0.000 0.303 723 R C 0.081 176.367 176.300 -0.024 0.000 0.981 723 R CA -0.665 55.417 56.100 -0.030 0.000 0.905 723 R CB 1.252 31.545 30.300 -0.013 0.000 1.099 723 R HN 0.318 nan 8.270 nan 0.000 0.459 724 S N 0.498 116.194 115.700 -0.007 0.000 2.563 724 S HA 0.284 4.754 4.470 -0.001 0.000 0.284 724 S C 0.529 175.143 174.600 0.024 0.000 1.331 724 S CA 0.082 58.296 58.200 0.022 0.000 1.047 724 S CB 1.126 64.372 63.200 0.077 0.000 0.859 724 S HN 0.798 nan 8.310 nan 0.000 0.514 725 G N -0.079 108.736 108.800 0.024 0.000 2.846 725 G HA2 0.584 4.543 3.960 -0.001 0.000 0.299 725 G HA3 0.584 4.543 3.960 -0.001 0.000 0.299 725 G C 0.524 175.442 174.900 0.030 0.000 1.242 725 G CA -0.113 45.009 45.100 0.036 0.000 0.800 725 G HN 0.708 nan 8.290 nan 0.000 0.538 726 A N -1.275 121.554 122.820 0.015 0.000 2.019 726 A HA 0.093 4.413 4.320 -0.001 0.000 0.219 726 A C 1.900 179.406 177.584 -0.131 0.000 1.164 726 A CA 1.966 53.957 52.037 -0.077 0.000 0.644 726 A CB -0.608 18.277 19.000 -0.191 0.000 0.805 726 A HN 0.583 nan 8.150 nan 0.000 0.449 727 Y N -0.767 119.468 120.300 -0.110 0.000 2.266 727 Y HA 0.336 4.885 4.550 -0.001 0.000 0.294 727 Y C 0.920 176.702 175.900 -0.196 0.000 1.127 727 Y CA 0.067 58.030 58.100 -0.228 0.000 1.140 727 Y CB -0.157 37.821 38.460 -0.803 0.000 1.071 727 Y HN 0.019 nan 8.280 nan 0.000 0.525 728 L N 0.508 121.677 121.223 -0.089 0.000 2.334 728 L HA 0.214 4.554 4.340 -0.001 0.000 0.277 728 L C -0.946 175.965 176.870 0.068 0.000 1.075 728 L CA -0.363 54.424 54.840 -0.088 0.000 0.804 728 L CB 1.170 43.127 42.059 -0.170 0.000 1.174 728 L HN 0.114 nan 8.230 nan 0.000 0.438 729 F N 4.859 124.743 119.950 -0.110 0.000 2.375 729 F HA 0.475 5.001 4.527 -0.001 0.000 0.361 729 F C -0.654 175.060 175.800 -0.143 0.000 1.117 729 F CA -0.751 57.148 58.000 -0.169 0.000 1.037 729 F CB 0.669 39.502 39.000 -0.278 0.000 1.192 729 F HN 0.309 nan 8.300 nan 0.000 0.452 730 L N 8.989 130.100 121.223 -0.187 0.000 2.529 730 L HA 0.345 4.684 4.340 -0.001 0.000 0.246 730 L C -2.339 174.348 176.870 -0.304 0.000 1.394 730 L CA -1.849 52.828 54.840 -0.273 0.000 0.906 730 L CB 0.992 42.977 42.059 -0.123 0.000 1.170 730 L HN 0.415 nan 8.230 nan 0.000 0.501 731 P HA 0.064 nan 4.420 nan 0.000 0.274 731 P C -0.569 176.645 177.300 -0.144 0.000 1.237 731 P CA -0.364 62.556 63.100 -0.299 0.000 0.793 731 P CB 0.597 32.001 31.700 -0.492 0.000 0.977 732 N N 0.639 119.326 118.700 -0.023 0.000 3.250 732 N HA 0.286 5.026 4.740 -0.001 0.000 0.307 732 N C 0.652 176.171 175.510 0.014 0.000 1.355 732 N CA -0.213 52.824 53.050 -0.023 0.000 1.192 732 N CB -0.830 37.655 38.487 -0.003 0.000 1.478 732 N HN 0.748 nan 8.380 nan 0.000 0.543 733 G N 0.809 109.614 108.800 0.009 0.000 2.655 733 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.680 733 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.680 733 G C -3.071 171.901 174.900 0.120 0.000 1.302 733 G CA -1.116 44.007 45.100 0.038 0.000 0.872 733 G HN 0.366 nan 8.290 nan 0.000 0.540 734 P HA 0.451 nan 4.420 nan 0.000 0.269 734 P C 0.534 177.801 177.300 -0.054 0.000 1.217 734 P CA 0.639 63.803 63.100 0.108 0.000 0.783 734 P CB 0.341 32.070 31.700 0.049 0.000 0.898 735 A N 1.889 124.490 122.820 -0.365 0.000 2.425 735 A HA 0.356 4.676 4.320 -0.001 0.000 0.242 735 A C 0.212 177.646 177.584 -0.250 0.000 1.077 735 A CA 0.341 52.009 52.037 -0.614 0.000 0.781 735 A CB -0.306 18.078 19.000 -1.027 0.000 1.020 735 A HN 0.464 nan 8.150 nan 0.000 0.494 736 S N 2.741 118.332 115.700 -0.181 0.000 2.475 736 S HA 0.591 5.060 4.470 -0.001 0.000 0.298 736 S C -2.660 171.902 174.600 -0.063 0.000 1.119 736 S CA -1.038 57.113 58.200 -0.082 0.000 1.085 736 S CB 1.266 64.440 63.200 -0.043 0.000 1.028 736 S HN 0.605 nan 8.310 nan 0.000 0.489 737 P HA 0.069 nan 4.420 nan 0.000 0.266 737 P C -0.544 176.763 177.300 0.011 0.000 1.195 737 P CA -0.269 62.828 63.100 -0.005 0.000 0.768 737 P CB 0.220 31.928 31.700 0.014 0.000 0.838 738 V N 4.014 123.948 119.914 0.033 0.000 2.599 738 V HA -0.046 4.074 4.120 -0.001 0.000 0.300 738 V C 1.167 177.280 176.094 0.032 0.000 1.034 738 V CA 0.262 62.582 62.300 0.034 0.000 1.115 738 V CB -0.400 31.451 31.823 0.046 0.000 0.934 738 V HN 0.482 nan 8.190 nan 0.000 0.485 739 E N 5.232 125.446 120.200 0.023 0.000 2.265 739 E HA 0.100 4.450 4.350 -0.001 0.000 0.272 739 E C 0.523 177.137 176.600 0.024 0.000 1.067 739 E CA 0.001 56.416 56.400 0.025 0.000 0.900 739 E CB 0.969 30.681 29.700 0.021 0.000 1.017 739 E HN 0.556 nan 8.360 nan 0.000 0.431 740 L N 2.030 123.273 121.223 0.033 0.000 2.529 740 L HA 0.094 4.433 4.340 -0.001 0.000 0.223 740 L C 1.392 178.283 176.870 0.036 0.000 1.113 740 L CA 0.406 55.264 54.840 0.030 0.000 0.861 740 L CB -0.435 41.651 42.059 0.045 0.000 1.012 740 L HN 0.770 nan 8.230 nan 0.000 0.461 741 G N 1.190 110.013 108.800 0.039 0.000 2.566 741 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.280 741 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.280 741 G C -0.029 174.900 174.900 0.048 0.000 1.225 741 G CA -0.076 45.049 45.100 0.042 0.000 0.966 741 G HN 0.432 nan 8.290 nan 0.000 0.560 742 Q N 1.557 121.388 119.800 0.052 0.000 2.644 742 Q HA 0.406 4.746 4.340 -0.001 0.000 0.245 742 Q C -2.282 173.759 176.000 0.069 0.000 1.064 742 Q CA -1.479 54.358 55.803 0.057 0.000 0.860 742 Q CB 1.843 30.610 28.738 0.049 0.000 1.145 742 Q HN 0.579 nan 8.270 nan 0.000 0.515 743 P HA 0.103 nan 4.420 nan 0.000 0.274 743 P C -0.288 177.081 177.300 0.115 0.000 1.237 743 P CA -0.367 62.788 63.100 0.090 0.000 0.793 743 P CB 1.094 32.831 31.700 0.062 0.000 0.977 744 V N 2.005 122.025 119.914 0.176 0.000 2.530 744 V HA 0.150 4.269 4.120 -0.001 0.000 0.282 744 V C 0.479 176.728 176.094 0.258 0.000 1.048 744 V CA -0.252 62.171 62.300 0.206 0.000 0.997 744 V CB 1.287 33.266 31.823 0.261 0.000 0.987 744 V HN 0.257 nan 8.190 nan 0.000 0.477 745 V N 6.219 126.229 119.914 0.161 0.000 2.495 745 V HA 0.481 4.600 4.120 -0.001 0.000 0.298 745 V C -0.477 175.644 176.094 0.044 0.000 1.031 745 V CA -0.633 61.740 62.300 0.121 0.000 0.871 745 V CB 1.703 33.558 31.823 0.054 0.000 0.988 745 V HN 0.664 nan 8.190 nan 0.000 0.432 746 L N 6.604 127.847 121.223 0.032 0.000 2.325 746 L HA 0.735 5.075 4.340 -0.001 0.000 0.281 746 L C -0.653 176.110 176.870 -0.178 0.000 1.004 746 L CA -0.027 54.709 54.840 -0.174 0.000 0.823 746 L CB 1.775 43.636 42.059 -0.330 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.415 747 V N 4.066 123.866 119.914 -0.191 0.000 2.384 747 V HA 0.548 4.667 4.120 -0.001 0.000 0.287 747 V C -0.005 176.024 176.094 -0.109 0.000 1.020 747 V CA -0.400 61.808 62.300 -0.153 0.000 0.850 747 V CB 1.545 33.294 31.823 -0.124 0.000 0.987 747 V HN 0.836 nan 8.190 nan 0.000 0.436 748 T N 5.352 119.869 114.554 -0.061 0.000 2.770 748 T HA 0.434 4.783 4.350 -0.001 0.000 0.283 748 T C -0.383 174.347 174.700 0.050 0.000 0.988 748 T CA -0.554 61.566 62.100 0.034 0.000 0.957 748 T CB 1.103 70.032 68.868 0.101 0.000 0.930 748 T HN 0.664 nan 8.240 nan 0.000 0.443 749 K N 2.471 122.917 120.400 0.076 0.000 2.394 749 K HA 0.682 5.001 4.320 -0.001 0.000 0.260 749 K C -0.359 176.302 176.600 0.101 0.000 0.967 749 K CA -0.576 55.756 56.287 0.075 0.000 0.855 749 K CB 0.958 33.495 32.500 0.062 0.000 1.101 749 K HN 0.784 nan 8.250 nan 0.000 0.433 750 G N 2.277 111.134 108.800 0.095 0.000 2.680 750 G HA2 0.167 4.126 3.960 -0.001 0.000 0.290 750 G HA3 0.167 4.126 3.960 -0.001 0.000 0.290 750 G C -0.210 174.737 174.900 0.079 0.000 1.355 750 G CA -0.661 44.498 45.100 0.097 0.000 0.903 750 G HN 0.657 nan 8.290 nan 0.000 0.474 751 K N -0.311 120.131 120.400 0.070 0.000 2.097 751 K HA 0.100 4.420 4.320 -0.001 0.000 0.206 751 K C 1.749 178.386 176.600 0.063 0.000 1.049 751 K CA 1.273 57.597 56.287 0.062 0.000 0.933 751 K CB -0.165 32.369 32.500 0.056 0.000 0.717 751 K HN 0.419 nan 8.250 nan 0.000 0.442 752 L N -0.871 120.391 121.223 0.065 0.000 2.470 752 L HA 0.225 4.564 4.340 -0.001 0.000 0.219 752 L C 0.455 177.363 176.870 0.063 0.000 1.071 752 L CA -0.013 54.865 54.840 0.064 0.000 0.850 752 L CB 0.408 42.508 42.059 0.068 0.000 1.040 752 L HN 0.161 nan 8.230 nan 0.000 0.475 753 E N -0.151 120.091 120.200 0.071 0.000 2.311 753 E HA 0.381 4.731 4.350 -0.001 0.000 0.281 753 E C -1.473 175.174 176.600 0.079 0.000 0.905 753 E CA -0.193 56.250 56.400 0.071 0.000 0.778 753 E CB 2.109 31.851 29.700 0.070 0.000 1.240 753 E HN -0.123 nan 8.360 nan 0.000 0.410 754 S N 1.523 117.267 115.700 0.073 0.000 2.600 754 S HA 0.733 5.203 4.470 -0.001 0.000 0.300 754 S C -1.230 173.397 174.600 0.045 0.000 1.087 754 S CA -0.704 57.534 58.200 0.064 0.000 0.965 754 S CB 1.930 65.168 63.200 0.064 0.000 1.089 754 S HN 0.425 nan 8.310 nan 0.000 0.496 755 S N 0.620 116.322 115.700 0.004 0.000 2.550 755 S HA 0.700 5.170 4.470 -0.001 0.000 0.270 755 S C -1.893 172.614 174.600 -0.155 0.000 1.145 755 S CA -0.502 57.675 58.200 -0.039 0.000 0.852 755 S CB 1.145 64.348 63.200 0.005 0.000 1.119 755 S HN 0.452 nan 8.310 nan 0.000 0.465 756 V N 3.206 122.965 119.914 -0.258 0.000 2.444 756 V HA 0.672 4.792 4.120 -0.001 0.000 0.294 756 V C -0.452 175.511 176.094 -0.218 0.000 1.022 756 V CA -0.510 61.567 62.300 -0.372 0.000 0.850 756 V CB 1.602 32.884 31.823 -0.901 0.000 0.992 756 V HN 0.865 nan 8.190 nan 0.000 0.426 757 S N 3.158 118.789 115.700 -0.115 0.000 2.513 757 S HA 0.796 5.265 4.470 -0.001 0.000 0.299 757 S C -0.866 173.683 174.600 -0.085 0.000 1.087 757 S CA -0.619 57.525 58.200 -0.095 0.000 1.012 757 S CB 2.157 65.407 63.200 0.083 0.000 1.044 757 S HN 0.662 nan 8.310 nan 0.000 0.485 758 V N 2.035 121.775 119.914 -0.290 0.000 2.760 758 V HA 0.805 4.925 4.120 -0.001 0.000 0.309 758 V C -0.087 175.665 176.094 -0.569 0.000 1.077 758 V CA -0.420 61.729 62.300 -0.251 0.000 0.910 758 V CB 1.806 33.612 31.823 -0.028 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 7.000 115.490 108.800 -0.516 0.000 2.546 759 G HA2 0.533 4.493 3.960 -0.001 0.000 0.320 759 G HA3 0.533 4.493 3.960 -0.001 0.000 0.320 759 G C -0.534 174.271 174.900 -0.158 0.000 0.984 759 G CA -0.330 44.523 45.100 -0.413 0.000 1.183 759 G HN 0.702 nan 8.290 nan 0.000 0.443 760 L N 2.665 123.749 121.223 -0.230 0.000 2.387 760 L HA 0.405 4.744 4.340 -0.001 0.000 0.266 760 L C -2.020 174.752 176.870 -0.163 0.000 1.059 760 L CA -2.357 52.373 54.840 -0.184 0.000 0.801 760 L CB 1.749 43.620 42.059 -0.312 0.000 1.223 760 L HN 0.203 nan 8.230 nan 0.000 0.456 761 P HA 0.076 nan 4.420 nan 0.000 0.266 761 P C 0.032 177.245 177.300 -0.146 0.000 1.215 761 P CA 0.374 63.415 63.100 -0.098 0.000 0.763 761 P CB 0.925 32.590 31.700 -0.058 0.000 0.806 762 S N -0.188 115.433 115.700 -0.132 0.000 2.929 762 S HA -0.115 4.354 4.470 -0.001 0.000 0.271 762 S C 0.216 174.709 174.600 -0.179 0.000 1.295 762 S CA 1.247 59.370 58.200 -0.129 0.000 1.277 762 S CB -1.636 61.509 63.200 -0.091 0.000 1.557 762 S HN 0.407 nan 8.310 nan 0.000 0.666 763 V N 1.244 120.995 119.914 -0.271 0.000 2.655 763 V HA 0.441 4.560 4.120 -0.001 0.000 0.301 763 V C -0.187 175.688 176.094 -0.366 0.000 1.082 763 V CA -0.818 61.277 62.300 -0.341 0.000 0.899 763 V CB 2.088 33.542 31.823 -0.616 0.000 1.014 763 V HN 0.104 nan 8.190 nan 0.000 0.429 764 V N 4.135 123.847 119.914 -0.337 0.000 2.368 764 V HA 0.314 4.434 4.120 -0.001 0.000 0.266 764 V C -0.137 175.752 176.094 -0.341 0.000 1.045 764 V CA -0.294 61.707 62.300 -0.498 0.000 0.899 764 V CB 0.659 32.083 31.823 -0.666 0.000 1.006 764 V HN 0.935 nan 8.190 nan 0.000 0.470 765 H N 4.535 123.354 119.070 -0.420 0.000 2.476 765 H HA 0.602 5.157 4.556 -0.001 0.000 0.328 765 H C -0.427 174.790 175.328 -0.186 0.000 1.073 765 H CA -0.239 55.666 56.048 -0.239 0.000 1.229 765 H CB 1.198 30.846 29.762 -0.189 0.000 1.432 765 H HN 0.685 nan 8.280 nan 0.000 0.477 766 Q N 4.187 123.679 119.800 -0.514 0.000 2.285 766 Q HA 0.351 4.691 4.340 -0.001 0.000 0.269 766 Q C -1.382 174.430 176.000 -0.314 0.000 1.030 766 Q CA -0.882 54.713 55.803 -0.347 0.000 0.788 766 Q CB 1.612 30.250 28.738 -0.167 0.000 1.266 766 Q HN 0.750 nan 8.270 nan 0.000 0.438 767 T N 5.091 119.530 114.554 -0.191 0.000 2.758 767 T HA 0.538 4.888 4.350 -0.001 0.000 0.285 767 T C -0.271 174.459 174.700 0.050 0.000 0.981 767 T CA -0.269 61.840 62.100 0.015 0.000 0.965 767 T CB 0.255 69.301 68.868 0.297 0.000 0.927 767 T HN 0.456 nan 8.240 nan 0.000 0.448 768 I N 3.583 124.197 120.570 0.074 0.000 2.474 768 I HA 0.502 4.671 4.170 -0.001 0.000 0.294 768 I C -0.238 175.936 176.117 0.095 0.000 1.005 768 I CA -0.820 60.521 61.300 0.068 0.000 1.113 768 I CB 1.874 39.904 38.000 0.050 0.000 1.289 768 I HN 0.375 nan 8.210 nan 0.000 0.436 769 M N 5.656 125.311 119.600 0.091 0.000 2.253 769 M HA 0.493 4.972 4.480 -0.001 0.000 0.314 769 M C 0.103 176.446 176.300 0.073 0.000 1.019 769 M CA -0.377 54.980 55.300 0.094 0.000 0.932 769 M CB 2.285 34.956 32.600 0.118 0.000 1.606 769 M HN 0.507 nan 8.290 nan 0.000 0.430 770 R N 0.999 121.537 120.500 0.063 0.000 2.566 770 R HA 0.347 4.687 4.340 -0.001 0.000 0.388 770 R C 0.790 177.120 176.300 0.049 0.000 0.989 770 R CA 0.294 56.425 56.100 0.052 0.000 1.164 770 R CB 1.199 31.523 30.300 0.039 0.000 1.459 770 R HN 1.143 nan 8.270 nan 0.000 0.553 771 G N -0.254 108.578 108.800 0.053 0.000 2.253 771 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 771 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 771 G C 0.341 175.264 174.900 0.038 0.000 0.997 771 G CA -0.358 44.769 45.100 0.045 0.000 0.640 771 G HN 0.504 nan 8.290 nan 0.000 0.496 772 G N 0.132 108.955 108.800 0.038 0.000 3.234 772 G HA2 0.784 4.744 3.960 -0.001 0.000 0.159 772 G HA3 0.784 4.744 3.960 -0.001 0.000 0.159 772 G C 0.545 175.467 174.900 0.036 0.000 1.175 772 G CA 0.452 45.570 45.100 0.031 0.000 0.900 772 G HN 1.514 nan 8.290 nan 0.000 0.621 773 A N 1.281 124.119 122.820 0.031 0.000 2.540 773 A HA 0.519 4.839 4.320 -0.001 0.000 0.239 773 A C -1.854 175.768 177.584 0.064 0.000 1.061 773 A CA -0.463 51.598 52.037 0.040 0.000 0.758 773 A CB -0.396 18.624 19.000 0.034 0.000 0.991 773 A HN 0.367 nan 8.150 nan 0.000 0.502 774 P HA 0.158 nan 4.420 nan 0.000 0.272 774 P C -0.449 176.924 177.300 0.122 0.000 1.230 774 P CA -0.194 62.974 63.100 0.114 0.000 0.788 774 P CB 0.597 32.389 31.700 0.154 0.000 0.949 775 E N 1.202 121.471 120.200 0.116 0.000 2.179 775 E HA 0.391 4.741 4.350 -0.001 0.000 0.275 775 E C -0.831 175.848 176.600 0.132 0.000 0.945 775 E CA -0.684 55.787 56.400 0.118 0.000 0.792 775 E CB 0.566 30.312 29.700 0.076 0.000 1.125 775 E HN 0.201 nan 8.360 nan 0.000 0.397 776 I N 4.146 124.828 120.570 0.187 0.000 2.404 776 I HA 0.415 4.584 4.170 -0.001 0.000 0.293 776 I C -0.054 176.188 176.117 0.209 0.000 0.992 776 I CA -0.619 60.773 61.300 0.154 0.000 1.149 776 I CB 1.284 39.389 38.000 0.175 0.000 1.315 776 I HN 0.565 nan 8.210 nan 0.000 0.446 777 R N 4.613 125.164 120.500 0.084 0.000 2.513 777 R HA 0.492 4.832 4.340 -0.001 0.000 0.301 777 R C -0.949 175.403 176.300 0.087 0.000 0.968 777 R CA -0.844 55.316 56.100 0.101 0.000 0.872 777 R CB 2.032 32.348 30.300 0.027 0.000 1.177 777 R HN 0.463 nan 8.270 nan 0.000 0.444 778 N N 2.613 121.427 118.700 0.189 0.000 2.407 778 N HA 0.204 4.944 4.740 -0.001 0.000 0.277 778 N C -1.282 174.244 175.510 0.026 0.000 0.995 778 N CA -0.704 52.432 53.050 0.144 0.000 0.903 778 N CB 1.864 40.542 38.487 0.319 0.000 1.218 778 N HN 0.313 nan 8.380 nan 0.000 0.487 779 L N 3.671 124.850 121.223 -0.073 0.000 2.268 779 L HA 0.387 4.726 4.340 -0.001 0.000 0.289 779 L C -0.991 175.809 176.870 -0.116 0.000 1.064 779 L CA -0.483 54.294 54.840 -0.105 0.000 0.824 779 L CB 0.538 42.525 42.059 -0.121 0.000 1.202 779 L HN 0.217 nan 8.230 nan 0.000 0.433 780 V N 4.649 124.496 119.914 -0.111 0.000 2.350 780 V HA 0.390 4.510 4.120 -0.001 0.000 0.276 780 V C -0.503 175.549 176.094 -0.070 0.000 1.028 780 V CA -0.511 61.740 62.300 -0.081 0.000 0.860 780 V CB 1.317 33.120 31.823 -0.033 0.000 0.990 780 V HN 0.696 nan 8.190 nan 0.000 0.453 781 D N 4.068 124.428 120.400 -0.067 0.000 2.375 781 D HA 0.262 4.902 4.640 -0.001 0.000 0.259 781 D C 0.441 176.714 176.300 -0.044 0.000 1.235 781 D CA -0.388 53.581 54.000 -0.052 0.000 0.924 781 D CB 1.367 42.130 40.800 -0.061 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.326 122.885 120.570 -0.018 0.000 3.444 782 I HA 0.116 4.286 4.170 -0.001 0.000 0.287 782 I C 1.299 177.407 176.117 -0.014 0.000 1.302 782 I CA 0.987 62.283 61.300 -0.007 0.000 1.368 782 I CB -0.290 37.726 38.000 0.026 0.000 1.048 782 I HN 0.619 nan 8.210 nan 0.000 0.487 783 G N 1.000 109.786 108.800 -0.023 0.000 2.583 783 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.292 783 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.292 783 G C 0.495 175.385 174.900 -0.016 0.000 1.203 783 G CA 0.372 45.452 45.100 -0.033 0.000 0.987 783 G HN 0.691 nan 8.290 nan 0.000 0.554 784 S N -0.236 115.452 115.700 -0.019 0.000 2.588 784 S HA 0.558 5.028 4.470 -0.001 0.000 0.245 784 S C 0.698 175.298 174.600 0.000 0.000 1.021 784 S CA 0.012 58.208 58.200 -0.006 0.000 1.006 784 S CB 0.080 63.276 63.200 -0.008 0.000 0.830 784 S HN 0.709 nan 8.310 nan 0.000 0.468 785 L N 2.907 124.131 121.223 0.001 0.000 2.448 785 L HA 0.292 4.631 4.340 -0.001 0.000 0.278 785 L C -0.299 176.585 176.870 0.024 0.000 1.201 785 L CA -0.344 54.502 54.840 0.011 0.000 1.036 785 L CB -0.580 41.486 42.059 0.011 0.000 1.325 785 L HN 0.164 nan 8.230 nan 0.000 0.441 786 D N 2.644 123.058 120.400 0.023 0.000 2.382 786 D HA 0.001 4.640 4.640 -0.001 0.000 0.240 786 D C 0.661 176.984 176.300 0.038 0.000 1.146 786 D CA 0.318 54.336 54.000 0.030 0.000 0.897 786 D CB 0.350 41.165 40.800 0.025 0.000 1.197 786 D HN 0.308 nan 8.370 nan 0.000 0.432 787 N N 0.533 119.260 118.700 0.044 0.000 2.725 787 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 787 N C -0.990 174.562 175.510 0.070 0.000 1.031 787 N CA 0.847 53.929 53.050 0.054 0.000 0.720 787 N CB -1.148 37.366 38.487 0.045 0.000 0.930 787 N HN 0.282 nan 8.380 nan 0.000 0.543 788 T N 0.461 115.060 114.554 0.076 0.000 2.916 788 T HA 0.411 4.761 4.350 -0.001 0.000 0.298 788 T C -0.300 174.465 174.700 0.109 0.000 1.031 788 T CA -0.716 61.440 62.100 0.093 0.000 0.993 788 T CB 2.301 71.210 68.868 0.068 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.466 122.759 120.200 0.155 0.000 2.199 789 E HA 0.463 4.813 4.350 -0.001 0.000 0.265 789 E C -0.724 175.990 176.600 0.191 0.000 0.882 789 E CA -0.662 55.828 56.400 0.150 0.000 0.759 789 E CB 2.305 32.075 29.700 0.117 0.000 1.148 789 E HN 0.490 nan 8.360 nan 0.000 0.412 790 I N 2.807 123.474 120.570 0.162 0.000 2.315 790 I HA 0.257 4.427 4.170 -0.001 0.000 0.291 790 I C -0.250 175.999 176.117 0.221 0.000 1.006 790 I CA -0.864 60.543 61.300 0.178 0.000 1.265 790 I CB 1.433 39.526 38.000 0.156 0.000 1.387 790 I HN 0.196 nan 8.210 nan 0.000 0.475 791 V N 8.037 128.080 119.914 0.215 0.000 2.628 791 V HA 0.493 4.612 4.120 -0.001 0.000 0.306 791 V C -0.428 175.695 176.094 0.049 0.000 1.045 791 V CA -0.717 61.694 62.300 0.185 0.000 0.905 791 V CB 2.064 34.050 31.823 0.272 0.000 0.997 791 V HN 0.760 nan 8.190 nan 0.000 0.436 792 M N 7.293 126.846 119.600 -0.079 0.000 2.129 792 M HA 0.559 5.039 4.480 -0.001 0.000 0.348 792 M C -0.525 175.619 176.300 -0.260 0.000 1.116 792 M CA -0.419 54.602 55.300 -0.465 0.000 1.022 792 M CB 0.575 32.869 32.600 -0.509 0.000 1.599 792 M HN 0.761 nan 8.290 nan 0.000 0.449 793 R N 4.654 124.985 120.500 -0.282 0.000 2.664 793 R HA 0.716 5.056 4.340 -0.001 0.000 0.286 793 R C -1.946 174.247 176.300 -0.178 0.000 0.967 793 R CA -0.634 55.365 56.100 -0.168 0.000 0.933 793 R CB 1.469 31.688 30.300 -0.135 0.000 1.146 793 R HN 0.809 nan 8.270 nan 0.000 0.468 794 L N 3.103 124.207 121.223 -0.199 0.000 2.313 794 L HA 0.431 4.770 4.340 -0.001 0.000 0.283 794 L C -0.538 176.214 176.870 -0.198 0.000 1.013 794 L CA -0.452 54.204 54.840 -0.307 0.000 0.816 794 L CB 1.982 43.813 42.059 -0.381 0.000 1.236 794 L HN 0.623 nan 8.230 nan 0.000 0.419 795 E N 2.024 122.121 120.200 -0.171 0.000 2.158 795 E HA 0.546 4.896 4.350 -0.001 0.000 0.271 795 E C -0.628 175.911 176.600 -0.103 0.000 0.911 795 E CA -0.513 55.835 56.400 -0.086 0.000 0.767 795 E CB 2.235 31.925 29.700 -0.017 0.000 1.120 795 E HN 0.627 nan 8.360 nan 0.000 0.405 796 T N -1.380 113.128 114.554 -0.077 0.000 2.804 796 T HA 0.315 4.665 4.350 -0.001 0.000 0.290 796 T C 0.137 174.853 174.700 0.025 0.000 1.099 796 T CA -0.707 61.327 62.100 -0.111 0.000 1.011 796 T CB 1.021 69.841 68.868 -0.080 0.000 1.291 796 T HN 0.584 nan 8.240 nan 0.000 0.523 797 H N -0.718 118.341 119.070 -0.018 0.000 2.520 797 H HA 0.413 4.968 4.556 -0.001 0.000 0.284 797 H C 0.137 175.464 175.328 -0.003 0.000 1.037 797 H CA -0.540 55.503 56.048 -0.009 0.000 1.168 797 H CB 0.069 29.826 29.762 -0.008 0.000 1.497 797 H HN 0.311 nan 8.280 nan 0.000 0.547 798 I N 1.748 122.384 120.570 0.111 0.000 2.618 798 I HA -0.123 4.047 4.170 -0.001 0.000 0.284 798 I C 0.489 176.648 176.117 0.071 0.000 1.146 798 I CA 0.263 61.607 61.300 0.074 0.000 1.425 798 I CB 0.493 38.526 38.000 0.055 0.000 1.383 798 I HN 0.165 nan 8.210 nan 0.000 0.562 799 D N 4.574 125.011 120.400 0.061 0.000 2.713 799 D HA 0.043 4.683 4.640 -0.001 0.000 0.229 799 D C 1.203 177.540 176.300 0.062 0.000 1.136 799 D CA -0.044 53.987 54.000 0.051 0.000 1.010 799 D CB 0.361 41.183 40.800 0.037 0.000 1.084 799 D HN 0.537 nan 8.370 nan 0.000 0.495 800 S N 0.271 116.015 115.700 0.073 0.000 2.496 800 S HA 0.259 4.729 4.470 -0.001 0.000 0.224 800 S C 1.604 176.253 174.600 0.082 0.000 0.996 800 S CA 0.268 58.525 58.200 0.095 0.000 0.927 800 S CB -0.101 63.167 63.200 0.114 0.000 0.774 800 S HN 0.523 nan 8.310 nan 0.000 0.524 801 G N 3.212 112.050 108.800 0.062 0.000 2.557 801 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.292 801 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.292 801 G C 0.166 175.105 174.900 0.065 0.000 1.162 801 G CA 0.583 45.716 45.100 0.055 0.000 0.964 801 G HN 0.758 nan 8.290 nan 0.000 0.541 802 D N 0.191 120.634 120.400 0.072 0.000 2.440 802 D HA 0.354 4.994 4.640 -0.001 0.000 0.216 802 D C 0.723 177.105 176.300 0.136 0.000 1.150 802 D CA -0.220 53.840 54.000 0.101 0.000 0.832 802 D CB 0.301 41.147 40.800 0.076 0.000 0.992 802 D HN 0.463 nan 8.370 nan 0.000 0.502 803 I N 1.448 122.079 120.570 0.102 0.000 2.437 803 I HA 0.500 4.670 4.170 -0.001 0.000 0.298 803 I C -0.074 176.123 176.117 0.134 0.000 0.984 803 I CA -1.104 60.201 61.300 0.008 0.000 1.214 803 I CB 0.618 38.588 38.000 -0.050 0.000 1.365 803 I HN 0.010 nan 8.210 nan 0.000 0.469 804 F N 3.961 123.721 119.950 -0.316 0.000 2.745 804 F HA 0.680 5.207 4.527 -0.001 0.000 0.316 804 F C -2.044 173.390 175.800 -0.610 0.000 1.155 804 F CA -1.183 56.654 58.000 -0.271 0.000 0.937 804 F CB 1.538 40.453 39.000 -0.142 0.000 1.361 804 F HN 0.168 nan 8.300 nan 0.000 0.472 805 Y N 0.178 120.258 120.300 -0.367 0.000 2.442 805 Y HA 0.669 5.219 4.550 -0.001 0.000 0.344 805 Y C -0.046 175.689 175.900 -0.274 0.000 0.976 805 Y CA -0.730 57.017 58.100 -0.588 0.000 1.040 805 Y CB 2.457 40.150 38.460 -1.278 0.000 1.228 805 Y HN 0.872 nan 8.280 nan 0.000 0.451 806 T N -1.369 113.117 114.554 -0.113 0.000 2.906 806 T HA 0.494 4.844 4.350 -0.001 0.000 0.295 806 T C -1.062 173.462 174.700 -0.293 0.000 1.075 806 T CA -1.061 60.992 62.100 -0.078 0.000 1.005 806 T CB 2.043 70.838 68.868 -0.121 0.000 1.136 806 T HN 0.578 nan 8.240 nan 0.000 0.498 807 D N 1.011 121.084 120.400 -0.545 0.000 2.340 807 D HA 0.384 5.023 4.640 -0.001 0.000 0.251 807 D C -0.619 175.412 176.300 -0.449 0.000 1.080 807 D CA -0.808 52.669 54.000 -0.871 0.000 0.971 807 D CB 1.256 41.284 40.800 -1.287 0.000 1.137 807 D HN 0.558 nan 8.370 nan 0.000 0.475 808 L N 0.848 121.849 121.223 -0.370 0.000 2.316 808 L HA 0.223 4.562 4.340 -0.001 0.000 0.280 808 L C -0.138 176.605 176.870 -0.213 0.000 1.006 808 L CA -0.810 53.904 54.840 -0.211 0.000 0.836 808 L CB 0.569 42.570 42.059 -0.096 0.000 1.221 808 L HN 0.455 nan 8.230 nan 0.000 0.418 809 N N 2.113 120.695 118.700 -0.196 0.000 2.714 809 N HA -0.232 4.508 4.740 -0.001 0.000 0.250 809 N C 0.982 176.272 175.510 -0.366 0.000 1.117 809 N CA 0.893 53.824 53.050 -0.199 0.000 0.719 809 N CB -1.070 37.377 38.487 -0.066 0.000 1.081 809 N HN 1.087 nan 8.380 nan 0.000 0.557 810 G N -1.660 106.928 108.800 -0.353 0.000 2.168 810 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.263 810 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.263 810 G C 0.639 175.506 174.900 -0.055 0.000 0.977 810 G CA 0.695 45.612 45.100 -0.304 0.000 0.659 810 G HN 0.479 nan 8.290 nan 0.000 0.533 811 L N -0.300 120.826 121.223 -0.160 0.000 2.467 811 L HA 0.496 4.836 4.340 -0.001 0.000 0.213 811 L C 1.028 177.774 176.870 -0.207 0.000 1.053 811 L CA 1.992 56.649 54.840 -0.304 0.000 0.847 811 L CB 0.136 41.857 42.059 -0.565 0.000 1.075 811 L HN 0.708 nan 8.230 nan 0.000 0.479 812 Q N -1.850 117.833 119.800 -0.196 0.000 2.482 812 Q HA 0.354 4.693 4.340 -0.001 0.000 0.286 812 Q C -1.719 174.158 176.000 -0.205 0.000 1.007 812 Q CA -0.739 55.016 55.803 -0.081 0.000 0.801 812 Q CB 1.179 29.928 28.738 0.018 0.000 1.455 812 Q HN -0.040 nan 8.270 nan 0.000 0.398 813 F N 1.306 121.212 119.950 -0.073 0.000 2.458 813 F HA 0.601 5.128 4.527 -0.001 0.000 0.336 813 F C -0.241 175.521 175.800 -0.064 0.000 1.114 813 F CA -0.845 57.123 58.000 -0.052 0.000 0.987 813 F CB 1.767 40.780 39.000 0.022 0.000 1.130 813 F HN 0.543 nan 8.300 nan 0.000 0.458 814 I N 3.856 124.428 120.570 0.003 0.000 2.474 814 I HA 0.336 4.505 4.170 -0.001 0.000 0.294 814 I C -0.470 175.511 176.117 -0.226 0.000 1.005 814 I CA -0.867 60.386 61.300 -0.078 0.000 1.113 814 I CB 1.250 39.157 38.000 -0.155 0.000 1.289 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.731 126.955 120.400 -0.292 0.000 2.412 815 K HA 0.234 4.553 4.320 -0.001 0.000 0.281 815 K C -0.830 175.328 176.600 -0.738 0.000 1.027 815 K CA -0.316 55.528 56.287 -0.737 0.000 0.989 815 K CB 0.488 32.698 32.500 -0.483 0.000 0.935 815 K HN 0.499 nan 8.250 nan 0.000 0.475 816 R N 3.256 123.131 120.500 -1.041 0.000 2.664 816 R HA 0.346 4.685 4.340 -0.001 0.000 0.286 816 R C -0.497 175.311 176.300 -0.820 0.000 0.967 816 R CA -0.785 54.637 56.100 -1.129 0.000 0.933 816 R CB 1.537 30.602 30.300 -2.058 0.000 1.146 816 R HN 0.655 nan 8.270 nan 0.000 0.468 817 R N 1.572 121.804 120.500 -0.447 0.000 2.439 817 R HA 0.285 4.624 4.340 -0.001 0.000 0.310 817 R C -0.435 175.909 176.300 0.074 0.000 0.955 817 R CA -0.658 55.355 56.100 -0.145 0.000 0.853 817 R CB 1.436 31.691 30.300 -0.075 0.000 1.171 817 R HN 0.527 nan 8.270 nan 0.000 0.449 818 R N 5.016 125.666 120.500 0.250 0.000 2.522 818 R HA 0.112 4.451 4.340 -0.001 0.000 0.284 818 R C -0.985 175.401 176.300 0.143 0.000 1.032 818 R CA 0.260 56.536 56.100 0.293 0.000 1.049 818 R CB 0.378 30.836 30.300 0.263 0.000 0.956 818 R HN 0.542 nan 8.270 nan 0.000 0.422 819 L N 4.822 126.107 121.223 0.103 0.000 2.343 819 L HA 0.226 4.565 4.340 -0.001 0.000 0.278 819 L C 0.205 177.072 176.870 -0.004 0.000 0.996 819 L CA -0.701 54.160 54.840 0.035 0.000 0.831 819 L CB 2.054 44.107 42.059 -0.009 0.000 1.232 819 L HN 0.656 nan 8.230 nan 0.000 0.413 820 D N 1.551 121.954 120.400 0.005 0.000 2.347 820 D HA -0.102 4.537 4.640 -0.001 0.000 0.215 820 D C 1.656 177.941 176.300 -0.024 0.000 0.976 820 D CA 0.708 54.705 54.000 -0.005 0.000 0.884 820 D CB 0.369 41.175 40.800 0.010 0.000 0.915 820 D HN 0.551 nan 8.370 nan 0.000 0.526 821 K N 0.241 120.621 120.400 -0.034 0.000 2.504 821 K HA 0.012 4.331 4.320 -0.001 0.000 0.195 821 K C 0.682 177.223 176.600 -0.099 0.000 1.036 821 K CA 0.367 56.630 56.287 -0.040 0.000 0.984 821 K CB 0.344 32.840 32.500 -0.008 0.000 0.788 821 K HN 0.104 nan 8.250 nan 0.000 0.488 822 L N 2.169 123.296 121.223 -0.160 0.000 2.330 822 L HA 0.470 4.809 4.340 -0.001 0.000 0.271 822 L C -2.271 174.496 176.870 -0.173 0.000 1.013 822 L CA -2.879 51.822 54.840 -0.232 0.000 0.816 822 L CB 1.513 43.342 42.059 -0.383 0.000 1.287 822 L HN -0.045 nan 8.230 nan 0.000 0.435 823 P HA 0.067 nan 4.420 nan 0.000 0.274 823 P C 0.794 177.969 177.300 -0.208 0.000 1.256 823 P CA -0.481 62.524 63.100 -0.159 0.000 0.795 823 P CB 1.291 32.920 31.700 -0.120 0.000 1.038 824 L N 0.830 121.958 121.223 -0.157 0.000 2.013 824 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 824 L C 2.446 179.229 176.870 -0.145 0.000 1.073 824 L CA 1.863 56.638 54.840 -0.110 0.000 0.753 824 L CB -0.644 41.347 42.059 -0.113 0.000 0.890 824 L HN 0.418 nan 8.230 nan 0.000 0.432 825 Q N -0.318 119.281 119.800 -0.334 0.000 2.364 825 Q HA -0.152 4.187 4.340 -0.001 0.000 0.207 825 Q C 1.816 177.707 176.000 -0.181 0.000 0.970 825 Q CA 1.421 57.053 55.803 -0.285 0.000 0.888 825 Q CB -0.441 28.035 28.738 -0.437 0.000 0.951 825 Q HN 0.608 nan 8.270 nan 0.000 0.469 826 A N 1.380 123.882 122.820 -0.531 0.000 2.067 826 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 826 A C 1.597 178.991 177.584 -0.318 0.000 1.156 826 A CA 0.602 52.166 52.037 -0.789 0.000 0.683 826 A CB -0.129 18.037 19.000 -1.390 0.000 0.808 826 A HN 0.321 nan 8.150 nan 0.000 0.455 827 N N -1.069 117.561 118.700 -0.116 0.000 2.398 827 N HA 0.059 4.799 4.740 -0.001 0.000 0.188 827 N C -0.860 174.742 175.510 0.155 0.000 1.122 827 N CA 0.206 53.307 53.050 0.085 0.000 0.866 827 N CB 0.042 38.628 38.487 0.165 0.000 0.970 827 N HN 0.455 nan 8.380 nan 0.000 0.462 828 Y N 0.218 120.471 120.300 -0.078 0.000 2.304 828 Y HA 0.210 4.760 4.550 -0.001 0.000 0.328 828 Y C -0.139 175.697 175.900 -0.106 0.000 1.123 828 Y CA -0.111 58.025 58.100 0.059 0.000 1.218 828 Y CB 0.418 38.989 38.460 0.186 0.000 1.207 828 Y HN -0.062 nan 8.280 nan 0.000 0.495 829 Y N 3.012 123.455 120.300 0.239 0.000 2.605 829 Y HA 0.444 4.993 4.550 -0.001 0.000 0.343 829 Y C -2.295 173.295 175.900 -0.515 0.000 1.036 829 Y CA -2.886 55.197 58.100 -0.028 0.000 1.065 829 Y CB 1.571 40.008 38.460 -0.038 0.000 1.288 829 Y HN 0.444 nan 8.280 nan 0.000 0.481 830 P HA 0.103 nan 4.420 nan 0.000 0.268 830 P C -0.698 176.358 177.300 -0.407 0.000 1.204 830 P CA 0.276 62.782 63.100 -0.990 0.000 0.768 830 P CB 0.490 31.518 31.700 -1.120 0.000 0.842 831 I N 5.215 125.631 120.570 -0.256 0.000 2.620 831 I HA 0.171 4.340 4.170 -0.001 0.000 0.280 831 I C -1.702 174.345 176.117 -0.117 0.000 1.143 831 I CA -2.462 58.760 61.300 -0.131 0.000 1.163 831 I CB 0.777 38.759 38.000 -0.031 0.000 1.461 831 I HN 0.205 nan 8.210 nan 0.000 0.530 832 P HA -0.055 nan 4.420 nan 0.000 0.221 832 P C 1.049 178.318 177.300 -0.052 0.000 1.150 832 P CA 1.188 64.216 63.100 -0.119 0.000 0.800 832 P CB 0.580 32.180 31.700 -0.167 0.000 0.787 833 S N -3.497 112.177 115.700 -0.044 0.000 2.551 833 S HA 0.467 4.937 4.470 -0.001 0.000 0.276 833 S C 0.537 175.228 174.600 0.151 0.000 1.051 833 S CA 0.317 58.549 58.200 0.053 0.000 1.377 833 S CB 0.268 63.522 63.200 0.091 0.000 1.208 833 S HN 0.326 nan 8.310 nan 0.000 0.656 834 G N 1.533 110.428 108.800 0.158 0.000 2.466 834 G HA2 0.561 4.520 3.960 -0.001 0.000 0.291 834 G HA3 0.561 4.520 3.960 -0.001 0.000 0.291 834 G C -1.473 173.678 174.900 0.419 0.000 1.460 834 G CA -0.424 44.897 45.100 0.368 0.000 0.791 834 G HN 0.897 nan 8.290 nan 0.000 0.505 835 M N -0.666 119.198 119.600 0.440 0.000 2.578 835 M HA 0.888 5.368 4.480 -0.001 0.000 0.276 835 M C -1.759 174.784 176.300 0.405 0.000 1.245 835 M CA -1.021 54.500 55.300 0.368 0.000 0.871 835 M CB 2.519 35.244 32.600 0.209 0.000 1.722 835 M HN 1.170 nan 8.290 nan 0.000 0.473 836 F N 0.785 120.879 119.950 0.240 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.684 174.252 175.800 0.225 0.000 1.117 836 F CA -1.197 56.883 58.000 0.133 0.000 0.951 836 F CB 1.112 40.106 39.000 -0.010 0.000 1.323 836 F HN 0.783 nan 8.300 nan 0.000 0.451 837 I N -0.228 120.577 120.570 0.391 0.000 2.785 837 I HA 0.897 5.066 4.170 -0.001 0.000 0.302 837 I C -1.366 174.941 176.117 0.318 0.000 1.069 837 I CA -0.891 60.603 61.300 0.325 0.000 1.045 837 I CB 2.407 40.513 38.000 0.176 0.000 1.236 837 I HN 0.959 nan 8.210 nan 0.000 0.429 838 E N 1.951 122.320 120.200 0.282 0.000 2.423 838 E HA 0.541 4.891 4.350 -0.001 0.000 0.280 838 E C -2.065 174.621 176.600 0.143 0.000 1.030 838 E CA -0.831 55.679 56.400 0.182 0.000 0.812 838 E CB 2.227 32.032 29.700 0.173 0.000 1.313 838 E HN 0.745 nan 8.360 nan 0.000 0.456 839 D N 0.508 120.962 120.400 0.089 0.000 2.784 839 D HA 0.452 5.091 4.640 -0.001 0.000 0.256 839 D C 0.865 177.195 176.300 0.050 0.000 1.129 839 D CA -0.161 53.883 54.000 0.072 0.000 1.102 839 D CB 0.043 40.878 40.800 0.058 0.000 1.330 839 D HN 0.451 nan 8.370 nan 0.000 0.626 840 A N -0.718 122.124 122.820 0.037 0.000 2.019 840 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 840 A C 1.507 179.096 177.584 0.008 0.000 1.164 840 A CA 1.558 53.609 52.037 0.023 0.000 0.644 840 A CB -0.713 18.298 19.000 0.019 0.000 0.805 840 A HN 0.512 nan 8.150 nan 0.000 0.449 841 N N -1.792 116.912 118.700 0.008 0.000 2.397 841 N HA 0.074 4.814 4.740 -0.001 0.000 0.190 841 N C -0.456 175.046 175.510 -0.014 0.000 1.099 841 N CA 0.752 53.799 53.050 -0.005 0.000 0.876 841 N CB 0.689 39.174 38.487 -0.002 0.000 1.143 841 N HN 0.304 nan 8.380 nan 0.000 0.468 842 T N 0.538 115.089 114.554 -0.005 0.000 2.893 842 T HA 0.442 4.791 4.350 -0.001 0.000 0.293 842 T C -0.626 174.069 174.700 -0.008 0.000 1.027 842 T CA -0.655 61.437 62.100 -0.014 0.000 0.988 842 T CB 2.863 71.729 68.868 -0.003 0.000 1.043 842 T HN -0.045 nan 8.240 nan 0.000 0.461 843 R N 1.991 122.469 120.500 -0.037 0.000 2.686 843 R HA 0.732 5.071 4.340 -0.001 0.000 0.286 843 R C -1.921 174.357 176.300 -0.037 0.000 0.969 843 R CA -0.906 55.173 56.100 -0.035 0.000 0.898 843 R CB 1.298 31.510 30.300 -0.146 0.000 1.183 843 R HN 0.462 nan 8.270 nan 0.000 0.456 844 L N 2.688 123.920 121.223 0.014 0.000 2.349 844 L HA 0.497 4.836 4.340 -0.001 0.000 0.278 844 L C -1.282 175.626 176.870 0.063 0.000 0.996 844 L CA 0.081 54.922 54.840 0.002 0.000 0.825 844 L CB 2.252 44.300 42.059 -0.019 0.000 1.243 844 L HN 0.641 nan 8.230 nan 0.000 0.412 845 T N 5.658 120.227 114.554 0.025 0.000 2.807 845 T HA 0.566 4.915 4.350 -0.001 0.000 0.279 845 T C -1.060 173.700 174.700 0.100 0.000 0.993 845 T CA -0.274 61.879 62.100 0.088 0.000 0.970 845 T CB 1.415 70.260 68.868 -0.039 0.000 0.950 845 T HN 0.459 nan 8.240 nan 0.000 0.441 846 L N 5.116 126.434 121.223 0.159 0.000 2.319 846 L HA 0.536 4.876 4.340 -0.001 0.000 0.281 846 L C -1.276 175.736 176.870 0.237 0.000 1.005 846 L CA -0.695 54.249 54.840 0.174 0.000 0.828 846 L CB 0.523 42.663 42.059 0.135 0.000 1.227 846 L HN 0.410 nan 8.230 nan 0.000 0.415 847 L N 4.033 125.398 121.223 0.236 0.000 2.343 847 L HA 0.650 4.989 4.340 -0.001 0.000 0.275 847 L C 0.107 177.123 176.870 0.243 0.000 1.056 847 L CA -0.239 54.738 54.840 0.229 0.000 0.804 847 L CB 1.490 43.650 42.059 0.168 0.000 1.203 847 L HN 0.607 nan 8.230 nan 0.000 0.440 848 T N 0.357 115.006 114.554 0.158 0.000 2.861 848 T HA 0.418 4.767 4.350 -0.001 0.000 0.287 848 T C 0.842 175.504 174.700 -0.064 0.000 1.003 848 T CA -0.402 61.717 62.100 0.032 0.000 0.977 848 T CB 1.896 70.815 68.868 0.085 0.000 0.996 848 T HN 0.783 nan 8.240 nan 0.000 0.448 849 G N 1.944 110.632 108.800 -0.186 0.000 3.181 849 G HA2 0.309 4.269 3.960 -0.001 0.000 0.219 849 G HA3 0.309 4.269 3.960 -0.001 0.000 0.219 849 G C 0.240 175.074 174.900 -0.111 0.000 1.182 849 G CA -0.137 44.882 45.100 -0.134 0.000 0.791 849 G HN 0.628 nan 8.290 nan 0.000 0.537 850 Q N -0.356 119.376 119.800 -0.113 0.000 2.479 850 Q HA 0.291 4.631 4.340 -0.001 0.000 0.276 850 Q C -3.545 172.419 176.000 -0.059 0.000 0.989 850 Q CA -2.330 53.434 55.803 -0.066 0.000 0.864 850 Q CB 1.831 30.547 28.738 -0.036 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.459 nan 4.420 nan 0.000 0.281 851 P C -0.685 176.603 177.300 -0.019 0.000 1.252 851 P CA -0.157 62.926 63.100 -0.027 0.000 0.778 851 P CB 1.033 32.724 31.700 -0.016 0.000 0.895 852 L N 1.659 122.865 121.223 -0.029 0.000 2.403 852 L HA 0.681 5.020 4.340 -0.001 0.000 0.253 852 L C 0.774 177.663 176.870 0.031 0.000 1.045 852 L CA -1.151 53.695 54.840 0.010 0.000 0.845 852 L CB 2.045 44.094 42.059 -0.017 0.000 1.447 852 L HN 0.340 nan 8.230 nan 0.000 0.411 853 G N -1.014 107.860 108.800 0.123 0.000 2.425 853 G HA2 0.675 4.635 3.960 -0.001 0.000 0.302 853 G HA3 0.675 4.635 3.960 -0.001 0.000 0.302 853 G C -0.523 174.410 174.900 0.055 0.000 1.159 853 G CA 0.093 45.323 45.100 0.217 0.000 0.865 853 G HN 0.868 nan 8.290 nan 0.000 0.515 854 G N -1.446 107.203 108.800 -0.253 0.000 2.550 854 G HA2 0.673 4.632 3.960 -0.001 0.000 0.293 854 G HA3 0.673 4.632 3.960 -0.001 0.000 0.293 854 G C -1.189 173.263 174.900 -0.745 0.000 1.402 854 G CA 0.431 45.185 45.100 -0.576 0.000 0.784 854 G HN 1.266 nan 8.290 nan 0.000 0.482 855 S N -1.876 113.440 115.700 -0.640 0.000 2.703 855 S HA 0.733 5.202 4.470 -0.001 0.000 0.273 855 S C -1.534 172.598 174.600 -0.781 0.000 1.178 855 S CA 0.315 58.130 58.200 -0.642 0.000 0.838 855 S CB 1.330 64.222 63.200 -0.512 0.000 1.178 855 S HN 1.556 nan 8.310 nan 0.000 0.494 856 S N 1.609 116.538 115.700 -1.286 0.000 2.718 856 S HA 0.496 4.965 4.470 -0.001 0.000 0.294 856 S C 0.135 174.475 174.600 -0.433 0.000 1.157 856 S CA -0.649 57.090 58.200 -0.768 0.000 1.121 856 S CB 0.030 62.735 63.200 -0.825 0.000 1.015 856 S HN 0.580 nan 8.310 nan 0.000 0.479 857 L N 3.189 124.296 121.223 -0.193 0.000 2.567 857 L HA 0.493 4.832 4.340 -0.001 0.000 0.225 857 L C 0.861 177.717 176.870 -0.023 0.000 1.119 857 L CA 0.219 55.028 54.840 -0.053 0.000 0.871 857 L CB 0.014 42.100 42.059 0.046 0.000 1.036 857 L HN 0.700 nan 8.230 nan 0.000 0.459 858 A N -1.185 121.609 122.820 -0.042 0.000 2.606 858 A HA 0.467 4.786 4.320 -0.001 0.000 0.293 858 A C -0.454 177.123 177.584 -0.011 0.000 1.082 858 A CA -0.428 51.603 52.037 -0.010 0.000 0.685 858 A CB 1.257 20.258 19.000 0.002 0.000 1.284 858 A HN -0.139 nan 8.150 nan 0.000 0.408 859 S N -0.201 115.506 115.700 0.013 0.000 2.558 859 S HA 0.394 4.864 4.470 -0.001 0.000 0.293 859 S C 1.517 176.132 174.600 0.024 0.000 1.292 859 S CA 1.895 60.111 58.200 0.026 0.000 1.063 859 S CB -0.084 63.136 63.200 0.033 0.000 0.831 859 S HN 2.645 nan 8.310 nan 0.000 0.499 860 G N 3.402 112.219 108.800 0.029 0.000 2.179 860 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G C -0.155 174.737 174.900 -0.012 0.000 0.977 860 G CA 0.473 45.590 45.100 0.028 0.000 0.641 860 G HN 0.713 nan 8.290 nan 0.000 0.533 861 E N -0.495 119.681 120.200 -0.039 0.000 2.212 861 E HA 0.760 5.109 4.350 -0.001 0.000 0.270 861 E C -0.156 176.375 176.600 -0.116 0.000 0.956 861 E CA -0.742 55.611 56.400 -0.078 0.000 0.825 861 E CB 1.754 31.408 29.700 -0.078 0.000 1.167 861 E HN 0.247 nan 8.360 nan 0.000 0.400 862 L N 1.671 122.819 121.223 -0.125 0.000 2.370 862 L HA 0.498 4.837 4.340 -0.001 0.000 0.266 862 L C -0.528 176.262 176.870 -0.135 0.000 1.002 862 L CA -0.644 54.111 54.840 -0.141 0.000 0.818 862 L CB 1.965 43.972 42.059 -0.086 0.000 1.325 862 L HN 0.658 nan 8.230 nan 0.000 0.418 863 E N 2.537 122.649 120.200 -0.146 0.000 2.390 863 E HA 0.702 5.051 4.350 -0.001 0.000 0.277 863 E C -1.550 174.994 176.600 -0.093 0.000 0.939 863 E CA -0.843 55.503 56.400 -0.090 0.000 0.769 863 E CB 3.291 32.981 29.700 -0.017 0.000 1.251 863 E HN 0.529 nan 8.360 nan 0.000 0.450 864 I N 2.113 122.668 120.570 -0.025 0.000 2.610 864 I HA 0.325 4.494 4.170 -0.001 0.000 0.289 864 I C -1.434 174.743 176.117 0.100 0.000 1.163 864 I CA -1.077 60.232 61.300 0.015 0.000 1.044 864 I CB 1.943 39.956 38.000 0.021 0.000 1.251 864 I HN 0.784 nan 8.210 nan 0.000 0.424 865 M N 6.290 125.988 119.600 0.163 0.000 2.228 865 M HA 0.230 4.709 4.480 -0.001 0.000 0.351 865 M C 0.574 176.970 176.300 0.160 0.000 1.233 865 M CA 0.627 56.031 55.300 0.172 0.000 1.129 865 M CB 0.935 33.609 32.600 0.124 0.000 1.604 865 M HN 0.584 nan 8.290 nan 0.000 0.457 866 Q N 1.420 121.349 119.800 0.215 0.000 2.287 866 Q HA 0.254 4.593 4.340 -0.001 0.000 0.201 866 Q C -0.255 175.952 176.000 0.344 0.000 0.946 866 Q CA 0.817 56.816 55.803 0.327 0.000 0.868 866 Q CB 0.379 29.340 28.738 0.372 0.000 0.967 866 Q HN 0.770 nan 8.270 nan 0.000 0.516 867 D N -0.921 119.611 120.400 0.220 0.000 2.671 867 D HA 0.291 4.931 4.640 -0.001 0.000 0.273 867 D C -1.446 174.923 176.300 0.116 0.000 1.264 867 D CA -0.497 53.611 54.000 0.179 0.000 0.788 867 D CB 1.440 42.336 40.800 0.160 0.000 1.324 867 D HN 0.038 nan 8.370 nan 0.000 0.424 868 R N 0.838 121.395 120.500 0.095 0.000 2.584 868 R HA 0.671 5.010 4.340 -0.001 0.000 0.276 868 R C -1.134 175.208 176.300 0.070 0.000 1.046 868 R CA -1.041 55.098 56.100 0.066 0.000 0.906 868 R CB 2.027 32.337 30.300 0.018 0.000 1.215 868 R HN 0.328 nan 8.270 nan 0.000 0.449 869 R N 3.810 124.348 120.500 0.064 0.000 2.451 869 R HA 0.465 4.804 4.340 -0.001 0.000 0.307 869 R C -1.499 174.833 176.300 0.054 0.000 0.965 869 R CA -0.568 55.567 56.100 0.058 0.000 0.865 869 R CB 1.244 31.575 30.300 0.050 0.000 1.174 869 R HN 0.710 nan 8.270 nan 0.000 0.455 870 L N 3.948 125.202 121.223 0.051 0.000 2.376 870 L HA 0.516 4.855 4.340 -0.001 0.000 0.275 870 L C 0.762 177.656 176.870 0.040 0.000 0.987 870 L CA -0.524 54.344 54.840 0.047 0.000 0.828 870 L CB 2.151 44.239 42.059 0.048 0.000 1.249 870 L HN 0.798 nan 8.230 nan 0.000 0.409 871 A N 1.630 124.471 122.820 0.035 0.000 2.067 871 A HA 0.127 4.447 4.320 -0.001 0.000 0.217 871 A C 0.971 178.571 177.584 0.027 0.000 1.156 871 A CA 0.716 52.771 52.037 0.029 0.000 0.683 871 A CB -0.019 18.996 19.000 0.025 0.000 0.808 871 A HN 0.617 nan 8.150 nan 0.000 0.455 872 S N -0.210 115.506 115.700 0.027 0.000 2.651 872 S HA 0.420 4.890 4.470 -0.001 0.000 0.291 872 S C -0.626 173.992 174.600 0.029 0.000 1.141 872 S CA -0.657 57.557 58.200 0.023 0.000 1.027 872 S CB 1.445 64.654 63.200 0.015 0.000 1.043 872 S HN 0.470 nan 8.310 nan 0.000 0.530 873 D N 0.326 120.743 120.400 0.028 0.000 2.304 873 D HA 0.234 4.874 4.640 -0.001 0.000 0.247 873 D C -0.151 176.163 176.300 0.023 0.000 1.089 873 D CA -0.391 53.632 54.000 0.039 0.000 0.910 873 D CB 0.684 41.506 40.800 0.036 0.000 1.199 873 D HN 0.503 nan 8.370 nan 0.000 0.426 874 D N 2.079 122.497 120.400 0.031 0.000 2.463 874 D HA 0.055 4.694 4.640 -0.001 0.000 0.224 874 D C -0.385 175.871 176.300 -0.073 0.000 1.174 874 D CA -0.241 53.744 54.000 -0.026 0.000 0.829 874 D CB -0.320 40.454 40.800 -0.044 0.000 0.993 874 D HN 0.616 nan 8.370 nan 0.000 0.497 875 E N -0.075 120.107 120.200 -0.030 0.000 2.637 875 E HA -0.214 4.136 4.350 -0.001 0.000 0.265 875 E C 0.207 176.764 176.600 -0.072 0.000 1.073 875 E CA 0.217 56.596 56.400 -0.035 0.000 0.778 875 E CB -0.875 28.802 29.700 -0.038 0.000 1.362 875 E HN 0.281 nan 8.360 nan 0.000 0.413 876 R N -0.621 119.807 120.500 -0.121 0.000 2.508 876 R HA 0.219 4.559 4.340 -0.001 0.000 0.300 876 R C 1.425 177.761 176.300 0.060 0.000 0.970 876 R CA 0.680 56.626 56.100 -0.257 0.000 1.102 876 R CB 1.114 30.797 30.300 -1.028 0.000 1.246 876 R HN 0.408 nan 8.270 nan 0.000 0.539 877 G N 0.717 109.644 108.800 0.212 0.000 2.231 877 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.206 877 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.206 877 G C 0.720 175.715 174.900 0.158 0.000 0.996 877 G CA 0.181 45.476 45.100 0.325 0.000 0.645 877 G HN 0.262 nan 8.290 nan 0.000 0.498 878 L N 1.480 122.901 121.223 0.331 0.000 2.093 878 L HA 0.458 4.798 4.340 -0.001 0.000 0.208 878 L C 2.188 179.053 176.870 -0.010 0.000 1.085 878 L CA 2.871 57.800 54.840 0.149 0.000 0.755 878 L CB -0.565 41.742 42.059 0.413 0.000 0.904 878 L HN 1.704 nan 8.230 nan 0.000 0.435 879 G N -0.559 108.264 108.800 0.039 0.000 2.147 879 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.244 879 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.244 879 G C 0.049 174.956 174.900 0.012 0.000 1.005 879 G CA 0.533 45.634 45.100 0.001 0.000 0.713 879 G HN 0.796 nan 8.290 nan 0.000 0.515 880 Q N -1.921 117.902 119.800 0.039 0.000 2.578 880 Q HA 0.648 4.987 4.340 -0.001 0.000 0.284 880 Q C 0.379 176.411 176.000 0.053 0.000 0.960 880 Q CA -0.637 55.189 55.803 0.037 0.000 0.809 880 Q CB 0.437 29.196 28.738 0.034 0.000 1.462 880 Q HN 0.986 nan 8.270 nan 0.000 0.392 881 G N 0.096 108.923 108.800 0.044 0.000 2.494 881 G HA2 0.481 4.440 3.960 -0.001 0.000 0.270 881 G HA3 0.481 4.440 3.960 -0.001 0.000 0.270 881 G C -0.854 174.077 174.900 0.052 0.000 1.423 881 G CA -0.592 44.536 45.100 0.046 0.000 1.055 881 G HN 0.400 nan 8.290 nan 0.000 0.536 882 V N 0.839 120.785 119.914 0.052 0.000 2.289 882 V HA 0.335 4.455 4.120 -0.001 0.000 0.272 882 V C 0.072 176.201 176.094 0.059 0.000 1.026 882 V CA -0.133 62.204 62.300 0.062 0.000 0.807 882 V CB 0.793 32.657 31.823 0.067 0.000 1.044 882 V HN 0.534 nan 8.190 nan 0.000 0.443 883 L N 3.279 124.535 121.223 0.055 0.000 3.358 883 L HA 0.336 4.675 4.340 -0.001 0.000 0.301 883 L C 0.556 177.453 176.870 0.045 0.000 1.276 883 L CA 0.018 54.885 54.840 0.045 0.000 1.028 883 L CB 0.718 42.798 42.059 0.035 0.000 1.421 883 L HN 0.653 nan 8.230 nan 0.000 0.604 884 D N -2.238 118.198 120.400 0.060 0.000 2.559 884 D HA 0.060 4.699 4.640 -0.001 0.000 0.234 884 D C 0.135 176.475 176.300 0.068 0.000 1.226 884 D CA -0.466 53.570 54.000 0.061 0.000 0.830 884 D CB -0.352 40.493 40.800 0.075 0.000 1.028 884 D HN 0.074 nan 8.370 nan 0.000 0.492 885 N N 1.680 120.417 118.700 0.062 0.000 2.395 885 N HA 0.104 4.843 4.740 -0.001 0.000 0.246 885 N C 0.189 175.706 175.510 0.011 0.000 1.246 885 N CA 0.362 53.448 53.050 0.060 0.000 0.879 885 N CB 0.654 39.173 38.487 0.053 0.000 1.098 885 N HN 0.317 nan 8.380 nan 0.000 0.444 886 K N -0.421 119.971 120.400 -0.013 0.000 2.512 886 K HA 0.566 4.886 4.320 -0.001 0.000 0.263 886 K C -3.241 173.325 176.600 -0.056 0.000 0.966 886 K CA -2.036 54.196 56.287 -0.090 0.000 0.851 886 K CB 1.275 33.631 32.500 -0.240 0.000 1.395 886 K HN 0.127 nan 8.250 nan 0.000 0.440 887 P HA -0.002 nan 4.420 nan 0.000 0.265 887 P C -1.050 176.264 177.300 0.023 0.000 1.193 887 P CA -0.445 62.630 63.100 -0.041 0.000 0.765 887 P CB 0.775 32.438 31.700 -0.061 0.000 0.823 888 V N 5.166 125.058 119.914 -0.036 0.000 2.760 888 V HA 0.462 4.581 4.120 -0.001 0.000 0.309 888 V C -1.302 174.656 176.094 -0.227 0.000 1.077 888 V CA -1.094 61.160 62.300 -0.077 0.000 0.910 888 V CB 2.058 33.813 31.823 -0.113 0.000 1.008 888 V HN 0.283 nan 8.190 nan 0.000 0.424 889 L N 7.136 128.257 121.223 -0.170 0.000 2.270 889 L HA 0.586 4.926 4.340 -0.001 0.000 0.286 889 L C -0.339 176.507 176.870 -0.041 0.000 1.059 889 L CA 0.159 54.933 54.840 -0.109 0.000 0.839 889 L CB 0.256 42.273 42.059 -0.070 0.000 1.221 889 L HN 0.699 nan 8.230 nan 0.000 0.431 890 H N 5.661 124.742 119.070 0.018 0.000 2.582 890 H HA 0.491 5.047 4.556 -0.001 0.000 0.345 890 H C -0.107 175.109 175.328 -0.186 0.000 1.104 890 H CA -0.194 55.805 56.048 -0.082 0.000 1.390 890 H CB 1.228 31.014 29.762 0.040 0.000 1.461 890 H HN 0.689 nan 8.280 nan 0.000 0.551 891 I N 0.173 120.560 120.570 -0.305 0.000 2.689 891 I HA 0.604 4.774 4.170 -0.001 0.000 0.299 891 I C -1.429 174.327 176.117 -0.602 0.000 1.059 891 I CA -0.964 60.177 61.300 -0.265 0.000 1.055 891 I CB 2.171 40.110 38.000 -0.102 0.000 1.243 891 I HN 0.243 nan 8.210 nan 0.000 0.425 892 Y N 2.482 122.827 120.300 0.075 0.000 2.625 892 Y HA 0.696 5.245 4.550 -0.001 0.000 0.338 892 Y C -0.592 175.358 175.900 0.082 0.000 1.123 892 Y CA -1.081 57.071 58.100 0.085 0.000 1.046 892 Y CB 1.633 40.165 38.460 0.120 0.000 1.299 892 Y HN 0.418 nan 8.280 nan 0.000 0.464 893 R N 1.368 122.024 120.500 0.259 0.000 2.750 893 R HA 0.628 4.967 4.340 -0.001 0.000 0.281 893 R C -1.931 174.480 176.300 0.184 0.000 0.972 893 R CA -1.164 55.044 56.100 0.181 0.000 0.912 893 R CB 2.661 33.027 30.300 0.109 0.000 1.187 893 R HN 0.644 nan 8.270 nan 0.000 0.464 894 L N 2.210 123.522 121.223 0.148 0.000 2.343 894 L HA 0.434 4.773 4.340 -0.001 0.000 0.278 894 L C -1.261 175.638 176.870 0.049 0.000 0.996 894 L CA -0.572 54.331 54.840 0.106 0.000 0.831 894 L CB 1.870 44.005 42.059 0.126 0.000 1.232 894 L HN 0.312 nan 8.230 nan 0.000 0.413 895 V N 6.168 126.094 119.914 0.020 0.000 2.326 895 V HA 0.401 4.520 4.120 -0.001 0.000 0.281 895 V C -0.333 175.736 176.094 -0.041 0.000 1.015 895 V CA -0.590 61.703 62.300 -0.013 0.000 0.823 895 V CB 1.382 33.189 31.823 -0.027 0.000 1.009 895 V HN 0.640 nan 8.190 nan 0.000 0.436 896 L N 5.265 126.461 121.223 -0.045 0.000 2.289 896 L HA 0.670 5.009 4.340 -0.001 0.000 0.285 896 L C -0.115 176.718 176.870 -0.062 0.000 1.049 896 L CA 0.698 55.504 54.840 -0.057 0.000 0.804 896 L CB 1.019 43.042 42.059 -0.060 0.000 1.195 896 L HN 0.720 nan 8.230 nan 0.000 0.428 897 E N 3.385 123.541 120.200 -0.073 0.000 2.383 897 E HA 0.418 4.767 4.350 -0.001 0.000 0.275 897 E C -1.212 175.345 176.600 -0.071 0.000 0.918 897 E CA -1.202 55.151 56.400 -0.078 0.000 0.764 897 E CB 1.554 31.189 29.700 -0.109 0.000 1.252 897 E HN 0.259 nan 8.360 nan 0.000 0.449 898 K N 1.413 121.775 120.400 -0.064 0.000 2.297 898 K HA 0.170 4.489 4.320 -0.001 0.000 0.286 898 K C 0.382 176.941 176.600 -0.068 0.000 1.053 898 K CA -0.135 56.118 56.287 -0.056 0.000 0.940 898 K CB 1.003 33.474 32.500 -0.048 0.000 1.019 898 K HN 0.460 nan 8.250 nan 0.000 0.475 899 V N -0.377 119.499 119.914 -0.064 0.000 3.252 899 V HA 0.047 4.167 4.120 -0.001 0.000 0.320 899 V C 1.055 177.116 176.094 -0.055 0.000 1.459 899 V CA -0.321 61.934 62.300 -0.076 0.000 1.095 899 V CB -0.229 31.534 31.823 -0.100 0.000 0.997 899 V HN 0.614 nan 8.190 nan 0.000 0.469 900 N N 1.669 120.344 118.700 -0.040 0.000 2.381 900 N HA -0.162 4.577 4.740 -0.001 0.000 0.182 900 N C 1.005 176.496 175.510 -0.033 0.000 1.025 900 N CA 1.764 54.797 53.050 -0.029 0.000 0.888 900 N CB -0.535 37.939 38.487 -0.021 0.000 0.965 900 N HN 0.712 nan 8.380 nan 0.000 0.438 901 N N -0.534 118.142 118.700 -0.041 0.000 2.336 901 N HA 0.127 4.867 4.740 -0.001 0.000 0.189 901 N C -0.414 175.066 175.510 -0.051 0.000 1.113 901 N CA -0.278 52.748 53.050 -0.041 0.000 0.858 901 N CB 0.357 38.819 38.487 -0.042 0.000 0.970 901 N HN 0.140 nan 8.380 nan 0.000 0.471 902 c N 1.169 119.733 118.600 -0.060 0.000 2.601 902 c HA 0.228 4.797 4.570 -0.001 0.000 0.409 902 c C 0.907 174.960 174.090 -0.063 0.000 1.293 902 c CA -0.981 55.304 56.329 -0.073 0.000 2.101 902 c CB 0.439 42.892 42.510 -0.095 0.000 2.639 902 c HN 0.068 nan 8.230 nan 0.000 0.592 903 V N 5.503 125.376 119.914 -0.069 0.000 2.387 903 V HA 0.236 4.355 4.120 -0.001 0.000 0.260 903 V C 0.601 176.656 176.094 -0.065 0.000 1.054 903 V CA 0.326 62.589 62.300 -0.062 0.000 0.967 903 V CB -0.502 31.280 31.823 -0.069 0.000 1.036 903 V HN 0.800 nan 8.190 nan 0.000 0.481 904 R N 4.654 125.128 120.500 -0.043 0.000 2.758 904 R HA 0.556 4.895 4.340 -0.001 0.000 0.265 904 R C -2.472 173.818 176.300 -0.017 0.000 1.016 904 R CA -1.883 54.199 56.100 -0.029 0.000 1.040 904 R CB 1.202 31.490 30.300 -0.019 0.000 1.152 904 R HN 0.397 nan 8.270 nan 0.000 0.503 905 P HA -0.037 nan 4.420 nan 0.000 0.270 905 P C -0.401 176.932 177.300 0.055 0.000 1.223 905 P CA -0.221 62.856 63.100 -0.039 0.000 0.785 905 P CB 0.578 32.176 31.700 -0.168 0.000 0.923 906 S N 1.104 116.863 115.700 0.098 0.000 2.596 906 S HA 0.058 4.528 4.470 -0.001 0.000 0.260 906 S C 1.167 175.847 174.600 0.133 0.000 1.336 906 S CA -0.135 58.129 58.200 0.108 0.000 0.993 906 S CB 0.265 63.531 63.200 0.111 0.000 0.923 906 S HN 0.305 nan 8.310 nan 0.000 0.567 907 K N 0.516 120.976 120.400 0.100 0.000 2.211 907 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 907 K C 1.598 178.254 176.600 0.094 0.000 1.047 907 K CA 1.232 57.575 56.287 0.093 0.000 0.935 907 K CB -0.536 32.003 32.500 0.065 0.000 0.728 907 K HN 0.605 nan 8.250 nan 0.000 0.452 908 L N -0.053 121.228 121.223 0.096 0.000 2.558 908 L HA 0.012 4.352 4.340 -0.001 0.000 0.225 908 L C 1.236 178.160 176.870 0.090 0.000 1.128 908 L CA -0.073 54.809 54.840 0.069 0.000 0.868 908 L CB -0.284 41.803 42.059 0.047 0.000 1.006 908 L HN 0.208 nan 8.230 nan 0.000 0.454 909 H N 2.519 121.626 119.070 0.062 0.000 2.683 909 H HA 0.098 4.653 4.556 -0.001 0.000 0.339 909 H C -1.720 173.649 175.328 0.069 0.000 1.081 909 H CA -1.468 54.629 56.048 0.082 0.000 1.432 909 H CB 1.854 31.691 29.762 0.124 0.000 1.462 909 H HN -0.095 nan 8.280 nan 0.000 0.557 910 P HA 0.143 nan 4.420 nan 0.000 0.249 910 P C -0.423 176.983 177.300 0.177 0.000 1.229 910 P CA 0.191 63.321 63.100 0.050 0.000 0.788 910 P CB 0.480 32.137 31.700 -0.071 0.000 1.072 911 A N -0.364 122.734 122.820 0.464 0.000 2.322 911 A HA 0.759 5.079 4.320 -0.001 0.000 0.327 911 A C 0.263 177.917 177.584 0.116 0.000 1.134 911 A CA -0.335 51.843 52.037 0.235 0.000 0.831 911 A CB 1.134 20.265 19.000 0.219 0.000 1.288 911 A HN 0.162 nan 8.150 nan 0.000 0.472 912 G N -1.422 107.318 108.800 -0.099 0.000 2.730 912 G HA2 0.643 4.603 3.960 -0.001 0.000 0.289 912 G HA3 0.643 4.603 3.960 -0.001 0.000 0.289 912 G C -1.763 172.755 174.900 -0.636 0.000 1.341 912 G CA -0.460 44.468 45.100 -0.288 0.000 0.932 912 G HN 0.562 nan 8.290 nan 0.000 0.481 913 Y N -0.969 119.300 120.300 -0.052 0.000 2.534 913 Y HA 0.469 5.018 4.550 -0.001 0.000 0.345 913 Y C 0.346 176.009 175.900 -0.395 0.000 1.031 913 Y CA -0.919 57.082 58.100 -0.166 0.000 1.022 913 Y CB 2.116 40.467 38.460 -0.181 0.000 1.292 913 Y HN 0.320 nan 8.280 nan 0.000 0.459 914 L N 2.133 123.185 121.223 -0.284 0.000 2.464 914 L HA 0.324 4.664 4.340 -0.001 0.000 0.264 914 L C 0.738 177.452 176.870 -0.260 0.000 1.199 914 L CA -0.491 54.103 54.840 -0.410 0.000 0.818 914 L CB 0.757 42.653 42.059 -0.272 0.000 1.102 914 L HN 0.782 nan 8.230 nan 0.000 0.473 915 T N -2.405 111.984 114.554 -0.275 0.000 2.816 915 T HA 0.035 4.385 4.350 -0.001 0.000 0.282 915 T C 1.184 175.829 174.700 -0.091 0.000 0.993 915 T CA -0.131 61.862 62.100 -0.179 0.000 0.994 915 T CB 1.437 70.197 68.868 -0.181 0.000 1.025 915 T HN 0.634 nan 8.240 nan 0.000 0.529 916 S N 0.687 116.347 115.700 -0.067 0.000 2.365 916 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 916 S C 2.326 176.935 174.600 0.016 0.000 1.039 916 S CA 1.506 59.702 58.200 -0.007 0.000 1.033 916 S CB -1.235 61.946 63.200 -0.031 0.000 0.887 916 S HN 0.939 nan 8.310 nan 0.000 0.447 917 A N 0.970 123.774 122.820 -0.026 0.000 1.969 917 A HA 0.313 4.632 4.320 -0.001 0.000 0.218 917 A C 2.432 180.008 177.584 -0.013 0.000 1.169 917 A CA 1.695 53.721 52.037 -0.019 0.000 0.635 917 A CB -1.201 17.778 19.000 -0.035 0.000 0.810 917 A HN 0.795 nan 8.150 nan 0.000 0.445 918 A N -1.395 121.404 122.820 -0.036 0.000 1.929 918 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 918 A C 2.079 179.688 177.584 0.042 0.000 1.176 918 A CA 1.479 53.499 52.037 -0.029 0.000 0.628 918 A CB -0.885 18.040 19.000 -0.125 0.000 0.816 918 A HN 0.765 nan 8.150 nan 0.000 0.444 919 H N 0.115 119.166 119.070 -0.031 0.000 2.321 919 H HA -0.070 4.486 4.556 -0.001 0.000 0.300 919 H C 1.843 177.203 175.328 0.054 0.000 1.087 919 H CA 1.869 57.935 56.048 0.030 0.000 1.319 919 H CB -0.040 29.735 29.762 0.022 0.000 1.379 919 H HN 0.427 nan 8.280 nan 0.000 0.501 920 K N 0.174 120.533 120.400 -0.067 0.000 2.097 920 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 920 K C 2.373 178.935 176.600 -0.064 0.000 1.049 920 K CA 0.901 57.129 56.287 -0.099 0.000 0.933 920 K CB -0.051 32.439 32.500 -0.017 0.000 0.717 920 K HN 0.280 nan 8.250 nan 0.000 0.442 921 A N 0.742 123.549 122.820 -0.022 0.000 1.930 921 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 921 A C 2.186 179.772 177.584 0.002 0.000 1.175 921 A CA 1.956 53.994 52.037 0.002 0.000 0.627 921 A CB -0.577 18.438 19.000 0.025 0.000 0.815 921 A HN 0.278 nan 8.150 nan 0.000 0.443 922 S N -0.635 115.070 115.700 0.008 0.000 2.368 922 S HA -0.226 4.243 4.470 -0.001 0.000 0.225 922 S C 2.126 176.710 174.600 -0.026 0.000 1.030 922 S CA 1.669 59.889 58.200 0.033 0.000 0.999 922 S CB -0.399 62.870 63.200 0.116 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.652 120.391 119.800 -0.102 0.000 2.170 923 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.484 178.430 176.000 -0.089 0.000 0.976 923 Q CA 1.651 57.393 55.803 -0.101 0.000 0.858 923 Q CB -0.312 28.346 28.738 -0.134 0.000 0.907 923 Q HN 0.808 nan 8.270 nan 0.000 0.433 924 S N 0.244 115.903 115.700 -0.069 0.000 2.423 924 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 924 S C 1.849 176.391 174.600 -0.097 0.000 1.014 924 S CA 0.693 58.851 58.200 -0.070 0.000 0.965 924 S CB -0.223 62.956 63.200 -0.036 0.000 0.785 924 S HN 0.288 nan 8.310 nan 0.000 0.495 925 L N 0.010 121.183 121.223 -0.083 0.000 2.127 925 L HA 0.218 4.558 4.340 -0.001 0.000 0.203 925 L C 2.521 179.299 176.870 -0.154 0.000 1.080 925 L CA 0.756 55.537 54.840 -0.098 0.000 0.768 925 L CB -0.372 41.654 42.059 -0.056 0.000 0.924 925 L HN 0.284 nan 8.230 nan 0.000 0.444 926 L N -1.225 119.912 121.223 -0.144 0.000 2.249 926 L HA 0.037 4.377 4.340 -0.001 0.000 0.207 926 L C 0.184 176.875 176.870 -0.298 0.000 1.090 926 L CA 0.770 55.500 54.840 -0.183 0.000 0.802 926 L CB 0.118 42.107 42.059 -0.116 0.000 0.947 926 L HN 0.199 nan 8.230 nan 0.000 0.453 927 D N 0.420 120.640 120.400 -0.300 0.000 2.613 927 D HA 0.229 4.869 4.640 -0.001 0.000 0.312 927 D C -2.339 173.713 176.300 -0.414 0.000 1.202 927 D CA -1.002 52.743 54.000 -0.426 0.000 0.825 927 D CB 1.350 42.111 40.800 -0.064 0.000 1.113 927 D HN 0.049 nan 8.370 nan 0.000 0.502 928 P HA 0.096 nan 4.420 nan 0.000 0.274 928 P C 0.607 177.776 177.300 -0.220 0.000 1.260 928 P CA -0.470 62.449 63.100 -0.301 0.000 0.793 928 P CB 1.480 33.008 31.700 -0.287 0.000 1.048 929 L N 0.720 121.881 121.223 -0.103 0.000 2.514 929 L HA 0.067 4.406 4.340 -0.001 0.000 0.280 929 L C 0.920 177.809 176.870 0.032 0.000 1.223 929 L CA 0.458 55.294 54.840 -0.007 0.000 0.864 929 L CB -0.348 41.721 42.059 0.018 0.000 1.118 929 L HN 0.285 nan 8.230 nan 0.000 0.494 930 D N 3.158 123.666 120.400 0.180 0.000 2.210 930 D HA 0.321 4.961 4.640 -0.001 0.000 0.249 930 D C -0.335 176.037 176.300 0.119 0.000 1.062 930 D CA -0.272 53.827 54.000 0.165 0.000 0.891 930 D CB 1.644 42.631 40.800 0.312 0.000 1.186 930 D HN 0.371 nan 8.370 nan 0.000 0.432 931 K N 1.441 121.800 120.400 -0.068 0.000 2.376 931 K HA 0.452 4.772 4.320 -0.001 0.000 0.257 931 K C -1.025 175.558 176.600 -0.028 0.000 0.939 931 K CA -0.635 55.717 56.287 0.108 0.000 0.809 931 K CB 1.556 34.066 32.500 0.017 0.000 1.121 931 K HN 0.228 nan 8.250 nan 0.000 0.425 932 F N 2.739 122.894 119.950 0.341 0.000 2.507 932 F HA 0.496 5.023 4.527 -0.001 0.000 0.325 932 F C 0.028 176.111 175.800 0.472 0.000 1.116 932 F CA -0.880 57.304 58.000 0.307 0.000 0.930 932 F CB 1.275 40.278 39.000 0.004 0.000 1.146 932 F HN 0.198 nan 8.300 nan 0.000 0.447 933 I N 3.541 124.496 120.570 0.642 0.000 2.362 933 I HA 0.220 4.389 4.170 -0.001 0.000 0.289 933 I C -0.559 175.866 176.117 0.513 0.000 0.994 933 I CA -0.844 60.765 61.300 0.515 0.000 1.158 933 I CB 1.258 39.459 38.000 0.334 0.000 1.315 933 I HN 0.429 nan 8.210 nan 0.000 0.451 934 F N 5.656 125.791 119.950 0.308 0.000 2.578 934 F HA 0.194 4.721 4.527 -0.001 0.000 0.376 934 F C 1.185 176.919 175.800 -0.110 0.000 1.085 934 F CA 0.064 57.958 58.000 -0.177 0.000 1.260 934 F CB 1.196 40.114 39.000 -0.137 0.000 1.095 934 F HN 0.591 nan 8.300 nan 0.000 0.573 935 A N 4.428 126.711 122.820 -0.895 0.000 2.081 935 A HA 0.094 4.414 4.320 -0.001 0.000 0.214 935 A C 0.982 178.299 177.584 -0.445 0.000 1.158 935 A CA 0.488 52.215 52.037 -0.516 0.000 0.724 935 A CB -0.259 18.423 19.000 -0.531 0.000 0.826 935 A HN 0.706 nan 8.150 nan 0.000 0.463 936 E N -0.623 119.157 120.200 -0.701 0.000 2.446 936 E HA 0.205 4.555 4.350 -0.001 0.000 0.251 936 E C 0.016 176.713 176.600 0.161 0.000 1.087 936 E CA -0.775 55.522 56.400 -0.172 0.000 0.937 936 E CB 0.289 29.925 29.700 -0.106 0.000 1.254 936 E HN 0.165 nan 8.360 nan 0.000 0.479 937 N N 0.548 119.360 118.700 0.188 0.000 2.300 937 N HA -0.069 4.670 4.740 -0.001 0.000 0.179 937 N C -0.067 175.612 175.510 0.281 0.000 1.016 937 N CA 0.869 54.047 53.050 0.214 0.000 0.876 937 N CB 0.358 38.926 38.487 0.135 0.000 0.979 937 N HN 0.430 nan 8.380 nan 0.000 0.432 938 E N -0.638 119.749 120.200 0.312 0.000 2.256 938 E HA 0.110 4.459 4.350 -0.001 0.000 0.268 938 E C -1.481 175.254 176.600 0.225 0.000 0.877 938 E CA -0.697 55.830 56.400 0.211 0.000 0.757 938 E CB 1.268 31.047 29.700 0.131 0.000 1.183 938 E HN 0.006 nan 8.360 nan 0.000 0.418 939 W N 8.053 129.081 121.300 -0.454 0.000 2.295 939 W HA 0.378 5.037 4.660 -0.001 0.000 0.333 939 W C -1.148 175.180 176.519 -0.318 0.000 0.990 939 W CA -1.362 55.560 57.345 -0.705 0.000 1.453 939 W CB -0.103 28.412 29.460 -1.574 0.000 1.263 939 W HN 0.458 nan 8.180 nan 0.000 0.380 940 I N 5.955 126.623 120.570 0.164 0.000 2.556 940 I HA 0.202 4.372 4.170 -0.001 0.000 0.284 940 I C 1.454 177.563 176.117 -0.013 0.000 1.114 940 I CA 1.129 62.450 61.300 0.036 0.000 1.418 940 I CB 0.478 38.526 38.000 0.080 0.000 1.394 940 I HN 0.774 nan 8.210 nan 0.000 0.552 941 G N 4.347 113.055 108.800 -0.153 0.000 2.157 941 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.248 941 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.248 941 G C 0.406 175.069 174.900 -0.395 0.000 0.979 941 G CA -0.078 44.923 45.100 -0.165 0.000 0.650 941 G HN 0.975 nan 8.290 nan 0.000 0.529 942 A N -0.312 122.008 122.820 -0.833 0.000 2.498 942 A HA 0.579 4.898 4.320 -0.001 0.000 0.239 942 A C 0.560 177.723 177.584 -0.701 0.000 1.068 942 A CA 0.821 51.996 52.037 -1.436 0.000 0.766 942 A CB 0.258 18.052 19.000 -2.010 0.000 1.003 942 A HN 0.616 nan 8.150 nan 0.000 0.497 943 Q N 0.484 119.950 119.800 -0.556 0.000 2.351 943 Q HA 0.526 4.865 4.340 -0.001 0.000 0.273 943 Q C 1.080 176.969 176.000 -0.185 0.000 1.077 943 Q CA -0.200 55.444 55.803 -0.265 0.000 0.843 943 Q CB 1.938 30.587 28.738 -0.147 0.000 1.367 943 Q HN 0.806 nan 8.270 nan 0.000 0.449 944 G N -0.016 108.717 108.800 -0.113 0.000 2.603 944 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.214 944 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.214 944 G C 0.176 175.059 174.900 -0.027 0.000 1.140 944 G CA 0.528 45.581 45.100 -0.079 0.000 0.800 944 G HN 0.430 nan 8.290 nan 0.000 0.533 945 Q N -1.364 118.433 119.800 -0.005 0.000 2.472 945 Q HA 0.535 4.875 4.340 -0.001 0.000 0.281 945 Q C -2.349 173.681 176.000 0.050 0.000 0.997 945 Q CA -0.938 54.878 55.803 0.021 0.000 0.828 945 Q CB 2.263 30.998 28.738 -0.005 0.000 1.443 945 Q HN 0.041 nan 8.270 nan 0.000 0.390 946 F N 0.984 120.847 119.950 -0.144 0.000 2.556 946 F HA 0.642 5.168 4.527 -0.001 0.000 0.314 946 F C 0.511 176.064 175.800 -0.412 0.000 1.106 946 F CA 0.449 58.297 58.000 -0.254 0.000 0.911 946 F CB 2.081 40.942 39.000 -0.231 0.000 1.190 946 F HN 0.681 nan 8.300 nan 0.000 0.448 947 G N 3.047 110.863 108.800 -1.640 0.000 2.141 947 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.231 947 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.231 947 G C 1.026 175.246 174.900 -1.134 0.000 0.984 947 G CA 0.253 44.096 45.100 -2.095 0.000 0.660 947 G HN 1.550 nan 8.290 nan 0.000 0.525 948 G N 1.069 109.498 108.800 -0.618 0.000 2.470 948 G HA2 0.043 4.002 3.960 -0.001 0.000 0.220 948 G HA3 0.043 4.002 3.960 -0.001 0.000 0.220 948 G C 1.174 176.011 174.900 -0.105 0.000 1.121 948 G CA 1.737 46.698 45.100 -0.232 0.000 0.766 948 G HN 0.831 nan 8.290 nan 0.000 0.553 949 D N -0.821 119.439 120.400 -0.232 0.000 2.342 949 D HA 0.038 4.677 4.640 -0.001 0.000 0.221 949 D C 0.300 176.592 176.300 -0.014 0.000 1.101 949 D CA -0.568 53.389 54.000 -0.073 0.000 0.837 949 D CB -0.964 39.801 40.800 -0.059 0.000 0.938 949 D HN 0.454 nan 8.370 nan 0.000 0.508 950 H N 1.061 120.018 119.070 -0.188 0.000 2.815 950 H HA 0.206 4.762 4.556 -0.001 0.000 0.350 950 H C -1.982 173.312 175.328 -0.057 0.000 1.080 950 H CA -1.648 54.315 56.048 -0.140 0.000 1.433 950 H CB 0.514 30.142 29.762 -0.222 0.000 1.432 950 H HN -0.009 nan 8.280 nan 0.000 0.592 951 P HA -0.050 nan 4.420 nan 0.000 0.268 951 P C -0.638 176.728 177.300 0.109 0.000 1.204 951 P CA 0.085 63.245 63.100 0.100 0.000 0.768 951 P CB 0.756 32.494 31.700 0.063 0.000 0.842 952 S N 2.259 118.058 115.700 0.165 0.000 2.434 952 S HA 0.599 5.068 4.470 -0.001 0.000 0.318 952 S C -0.086 174.626 174.600 0.186 0.000 1.062 952 S CA -0.546 57.784 58.200 0.216 0.000 1.116 952 S CB -0.608 62.831 63.200 0.398 0.000 0.977 952 S HN 0.477 nan 8.310 nan 0.000 0.480 953 A N 4.556 127.481 122.820 0.175 0.000 2.286 953 A HA 0.584 4.903 4.320 -0.001 0.000 0.286 953 A C 0.471 178.129 177.584 0.124 0.000 1.097 953 A CA -0.688 51.428 52.037 0.132 0.000 0.821 953 A CB 0.324 19.396 19.000 0.120 0.000 1.076 953 A HN 0.910 nan 8.150 nan 0.000 0.490 954 R N -0.070 120.474 120.500 0.073 0.000 2.697 954 R HA -0.028 4.311 4.340 -0.001 0.000 0.265 954 R C 1.344 177.661 176.300 0.029 0.000 1.009 954 R CA 0.964 57.083 56.100 0.032 0.000 1.099 954 R CB 0.336 30.639 30.300 0.004 0.000 0.965 954 R HN 0.912 nan 8.270 nan 0.000 0.428 955 E N 1.466 121.651 120.200 -0.026 0.000 2.268 955 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 955 E C 0.273 176.908 176.600 0.059 0.000 0.995 955 E CA 1.346 57.707 56.400 -0.064 0.000 0.836 955 E CB -0.006 29.634 29.700 -0.101 0.000 0.763 955 E HN 0.741 nan 8.360 nan 0.000 0.491 956 D N 0.666 121.064 120.400 -0.003 0.000 2.340 956 D HA 0.004 4.643 4.640 -0.001 0.000 0.220 956 D C 0.340 176.641 176.300 0.002 0.000 1.039 956 D CA -0.123 53.833 54.000 -0.075 0.000 0.866 956 D CB -0.009 40.689 40.800 -0.170 0.000 0.913 956 D HN 0.165 nan 8.370 nan 0.000 0.523 957 L N 0.734 122.006 121.223 0.082 0.000 2.322 957 L HA 0.525 4.865 4.340 -0.001 0.000 0.279 957 L C -1.092 175.909 176.870 0.217 0.000 1.036 957 L CA -0.445 54.461 54.840 0.111 0.000 0.807 957 L CB 1.692 43.806 42.059 0.092 0.000 1.226 957 L HN -0.218 nan 8.230 nan 0.000 0.433 958 D N 2.210 122.757 120.400 0.245 0.000 2.671 958 D HA 0.361 5.000 4.640 -0.001 0.000 0.232 958 D C -1.323 175.137 176.300 0.267 0.000 1.114 958 D CA -0.266 53.900 54.000 0.278 0.000 0.858 958 D CB 2.398 43.408 40.800 0.350 0.000 1.544 958 D HN 0.228 nan 8.370 nan 0.000 0.471 959 V N 3.484 123.532 119.914 0.224 0.000 2.267 959 V HA 0.123 4.242 4.120 -0.001 0.000 0.254 959 V C 1.310 177.537 176.094 0.222 0.000 1.144 959 V CA -0.005 62.438 62.300 0.239 0.000 0.992 959 V CB 0.384 32.337 31.823 0.216 0.000 1.199 959 V HN 0.581 nan 8.190 nan 0.000 0.493 960 S N 3.008 118.867 115.700 0.265 0.000 2.382 960 S HA -0.014 4.455 4.470 -0.001 0.000 0.228 960 S C 0.675 175.328 174.600 0.087 0.000 1.027 960 S CA 0.869 59.178 58.200 0.181 0.000 0.991 960 S CB 0.168 63.535 63.200 0.277 0.000 0.823 960 S HN 0.497 nan 8.310 nan 0.000 0.469 961 V N 1.513 121.520 119.914 0.155 0.000 2.760 961 V HA 0.528 4.647 4.120 -0.001 0.000 0.309 961 V C -0.761 175.405 176.094 0.120 0.000 1.077 961 V CA -0.574 61.793 62.300 0.112 0.000 0.910 961 V CB 1.901 33.815 31.823 0.153 0.000 1.008 961 V HN 0.374 nan 8.190 nan 0.000 0.424 962 M N 5.607 125.197 119.600 -0.015 0.000 2.197 962 M HA 0.686 5.166 4.480 -0.001 0.000 0.301 962 M C -1.076 175.056 176.300 -0.281 0.000 0.987 962 M CA -0.497 54.661 55.300 -0.238 0.000 0.921 962 M CB 1.465 33.935 32.600 -0.216 0.000 1.569 962 M HN 0.744 nan 8.290 nan 0.000 0.431 963 R N 4.091 124.356 120.500 -0.391 0.000 2.515 963 R HA 0.431 4.770 4.340 -0.001 0.000 0.291 963 R C -1.366 174.707 176.300 -0.379 0.000 1.046 963 R CA -0.680 55.244 56.100 -0.294 0.000 0.914 963 R CB 1.827 32.034 30.300 -0.155 0.000 1.191 963 R HN 0.903 nan 8.270 nan 0.000 0.435 964 R N 4.534 124.866 120.500 -0.279 0.000 2.442 964 R HA 0.131 4.471 4.340 -0.001 0.000 0.291 964 R C 0.204 176.393 176.300 -0.185 0.000 1.069 964 R CA 0.083 56.046 56.100 -0.228 0.000 1.022 964 R CB 0.614 30.835 30.300 -0.131 0.000 0.976 964 R HN 0.703 nan 8.270 nan 0.000 0.443 965 L N 2.992 124.099 121.223 -0.193 0.000 2.616 965 L HA 0.144 4.484 4.340 -0.001 0.000 0.229 965 L C 0.299 177.114 176.870 -0.092 0.000 1.110 965 L CA 0.051 54.795 54.840 -0.159 0.000 0.884 965 L CB 0.465 42.398 42.059 -0.211 0.000 1.115 965 L HN 0.705 nan 8.230 nan 0.000 0.481 966 T N -2.735 111.777 114.554 -0.070 0.000 2.887 966 T HA 0.453 4.802 4.350 -0.001 0.000 0.288 966 T C -0.241 174.449 174.700 -0.017 0.000 1.021 966 T CA -0.907 61.169 62.100 -0.039 0.000 1.000 966 T CB 2.485 71.336 68.868 -0.029 0.000 1.034 966 T HN -0.092 nan 8.240 nan 0.000 0.467 967 K N 0.811 121.207 120.400 -0.007 0.000 2.117 967 K HA 0.336 4.655 4.320 -0.001 0.000 0.240 967 K C 1.655 178.268 176.600 0.021 0.000 1.031 967 K CA -0.231 56.063 56.287 0.013 0.000 0.909 967 K CB 0.490 32.996 32.500 0.011 0.000 1.097 967 K HN 0.796 nan 8.250 nan 0.000 0.492 968 S N -0.721 115.000 115.700 0.035 0.000 2.447 968 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 968 S C 1.770 176.385 174.600 0.024 0.000 1.006 968 S CA 1.359 59.579 58.200 0.034 0.000 0.957 968 S CB -0.322 62.906 63.200 0.047 0.000 0.773 968 S HN 0.620 nan 8.310 nan 0.000 0.507 969 S N 1.523 117.236 115.700 0.021 0.000 2.561 969 S HA 0.435 4.904 4.470 -0.001 0.000 0.225 969 S C 0.797 175.403 174.600 0.010 0.000 0.977 969 S CA 0.027 58.237 58.200 0.017 0.000 0.926 969 S CB -0.638 62.572 63.200 0.017 0.000 0.769 969 S HN 0.763 nan 8.310 nan 0.000 0.533 970 A N 2.092 124.916 122.820 0.007 0.000 2.454 970 A HA 0.435 4.755 4.320 -0.001 0.000 0.260 970 A C 1.214 178.802 177.584 0.007 0.000 1.106 970 A CA -0.205 51.834 52.037 0.002 0.000 0.780 970 A CB 0.263 19.260 19.000 -0.004 0.000 1.044 970 A HN 0.554 nan 8.150 nan 0.000 0.498 971 K N 1.782 122.185 120.400 0.005 0.000 2.296 971 K HA 0.010 4.329 4.320 -0.001 0.000 0.200 971 K C 0.169 176.776 176.600 0.012 0.000 1.048 971 K CA 1.522 57.814 56.287 0.009 0.000 0.966 971 K CB 0.144 32.648 32.500 0.007 0.000 0.754 971 K HN 0.441 nan 8.250 nan 0.000 0.466 972 T N 2.663 117.220 114.554 0.005 0.000 2.781 972 T HA 0.204 4.554 4.350 -0.001 0.000 0.305 972 T C -0.928 173.783 174.700 0.018 0.000 1.001 972 T CA -0.747 61.358 62.100 0.008 0.000 0.950 972 T CB 1.083 69.944 68.868 -0.011 0.000 0.955 972 T HN 0.127 nan 8.240 nan 0.000 0.471 973 Q N 2.745 122.575 119.800 0.050 0.000 2.340 973 Q HA 0.402 4.742 4.340 -0.001 0.000 0.249 973 Q C 0.111 176.163 176.000 0.088 0.000 0.957 973 Q CA 0.050 55.886 55.803 0.055 0.000 0.882 973 Q CB 1.310 30.083 28.738 0.058 0.000 1.235 973 Q HN 0.547 nan 8.270 nan 0.000 0.439 974 R N 0.350 120.867 120.500 0.028 0.000 2.575 974 R HA 0.636 4.976 4.340 -0.001 0.000 0.293 974 R C -1.090 175.161 176.300 -0.081 0.000 0.983 974 R CA -0.651 55.449 56.100 0.000 0.000 0.887 974 R CB 1.835 32.099 30.300 -0.060 0.000 1.184 974 R HN 0.253 nan 8.270 nan 0.000 0.445 975 V N 1.579 121.442 119.914 -0.086 0.000 2.531 975 V HA 0.601 4.721 4.120 -0.001 0.000 0.301 975 V C 0.241 176.052 176.094 -0.471 0.000 1.034 975 V CA -0.825 61.288 62.300 -0.312 0.000 0.865 975 V CB 2.004 33.652 31.823 -0.292 0.000 0.995 975 V HN 0.946 nan 8.190 nan 0.000 0.424 976 G N 2.937 111.252 108.800 -0.808 0.000 2.389 976 G HA2 0.669 4.629 3.960 -0.001 0.000 0.328 976 G HA3 0.669 4.629 3.960 -0.001 0.000 0.328 976 G C -1.674 172.780 174.900 -0.743 0.000 1.133 976 G CA -0.310 44.148 45.100 -1.069 0.000 0.891 976 G HN 0.505 nan 8.290 nan 0.000 0.485 977 Y N 0.150 120.536 120.300 0.143 0.000 2.442 977 Y HA 0.474 5.024 4.550 -0.001 0.000 0.344 977 Y C -0.159 176.012 175.900 0.452 0.000 0.976 977 Y CA -0.903 57.372 58.100 0.292 0.000 1.040 977 Y CB 2.762 41.361 38.460 0.231 0.000 1.228 977 Y HN 0.344 nan 8.280 nan 0.000 0.451 978 V N 5.158 125.368 119.914 0.494 0.000 2.384 978 V HA 0.412 4.531 4.120 -0.001 0.000 0.287 978 V C -0.364 175.957 176.094 0.379 0.000 1.020 978 V CA -0.755 61.759 62.300 0.358 0.000 0.850 978 V CB 1.240 33.226 31.823 0.272 0.000 0.987 978 V HN 0.587 nan 8.190 nan 0.000 0.436 979 L N 4.662 126.096 121.223 0.350 0.000 2.317 979 L HA 0.615 4.954 4.340 -0.001 0.000 0.281 979 L C -0.668 176.408 176.870 0.344 0.000 1.024 979 L CA -0.652 54.390 54.840 0.336 0.000 0.810 979 L CB 1.536 43.784 42.059 0.315 0.000 1.240 979 L HN 0.703 nan 8.230 nan 0.000 0.427 980 H N 3.080 122.304 119.070 0.257 0.000 2.689 980 H HA 0.448 5.003 4.556 -0.001 0.000 0.346 980 H C -1.143 174.274 175.328 0.149 0.000 1.037 980 H CA -0.648 55.521 56.048 0.203 0.000 1.234 980 H CB 1.536 31.486 29.762 0.315 0.000 1.572 980 H HN 0.478 nan 8.280 nan 0.000 0.524 981 R N 4.235 124.374 120.500 -0.602 0.000 2.343 981 R HA 0.329 4.668 4.340 -0.001 0.000 0.320 981 R C -0.335 175.528 176.300 -0.728 0.000 0.956 981 R CA -0.466 55.357 56.100 -0.461 0.000 0.836 981 R CB 1.277 31.441 30.300 -0.227 0.000 1.151 981 R HN 0.754 nan 8.270 nan 0.000 0.450 982 T N 1.570 115.857 114.554 -0.445 0.000 2.793 982 T HA 0.182 4.531 4.350 -0.001 0.000 0.299 982 T C -0.512 174.014 174.700 -0.289 0.000 1.038 982 T CA -0.439 61.495 62.100 -0.276 0.000 0.948 982 T CB 0.574 69.358 68.868 -0.141 0.000 1.231 982 T HN 0.679 nan 8.240 nan 0.000 0.538 983 N N 0.527 119.083 118.700 -0.240 0.000 2.399 983 N HA 0.484 5.223 4.740 -0.001 0.000 0.284 983 N C -1.458 173.895 175.510 -0.262 0.000 1.025 983 N CA -0.508 52.342 53.050 -0.335 0.000 0.885 983 N CB 0.715 38.848 38.487 -0.589 0.000 1.339 983 N HN 0.472 nan 8.380 nan 0.000 0.487 984 L N 2.482 123.546 121.223 -0.264 0.000 2.331 984 L HA 0.541 4.881 4.340 -0.001 0.000 0.275 984 L C 0.551 177.299 176.870 -0.203 0.000 1.022 984 L CA -1.110 53.608 54.840 -0.202 0.000 0.812 984 L CB 1.495 43.442 42.059 -0.186 0.000 1.257 984 L HN 0.381 nan 8.230 nan 0.000 0.435 985 M N 2.146 121.646 119.600 -0.165 0.000 2.245 985 M HA 0.012 4.492 4.480 -0.001 0.000 0.335 985 M C -0.175 176.040 176.300 -0.143 0.000 1.155 985 M CA 0.591 55.797 55.300 -0.156 0.000 1.055 985 M CB 0.183 32.688 32.600 -0.158 0.000 1.670 985 M HN 0.499 nan 8.290 nan 0.000 0.447 986 Q N 2.280 122.001 119.800 -0.132 0.000 2.368 986 Q HA 0.252 4.592 4.340 -0.001 0.000 0.256 986 Q C -0.336 175.607 176.000 -0.096 0.000 0.980 986 Q CA -0.094 55.642 55.803 -0.112 0.000 0.887 986 Q CB 1.199 29.872 28.738 -0.108 0.000 1.221 986 Q HN 0.792 nan 8.270 nan 0.000 0.458 987 c N 0.734 119.281 118.600 -0.088 0.000 3.115 987 c HA 0.369 4.938 4.570 -0.001 0.000 0.277 987 c C 1.274 175.325 174.090 -0.066 0.000 1.460 987 c CA 0.042 56.324 56.329 -0.079 0.000 1.789 987 c CB -0.404 42.054 42.510 -0.086 0.000 2.674 987 c HN 1.066 nan 8.230 nan 0.000 0.582 988 G N 1.430 110.192 108.800 -0.064 0.000 2.141 988 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.231 988 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.231 988 G C -0.041 174.827 174.900 -0.053 0.000 0.984 988 G CA 0.309 45.376 45.100 -0.055 0.000 0.660 988 G HN 0.451 nan 8.290 nan 0.000 0.525 989 T N 2.702 117.221 114.554 -0.058 0.000 2.743 989 T HA 0.514 4.864 4.350 -0.001 0.000 0.293 989 T C -1.768 172.897 174.700 -0.058 0.000 0.945 989 T CA -0.686 61.381 62.100 -0.054 0.000 1.030 989 T CB 1.634 70.470 68.868 -0.053 0.000 0.912 989 T HN 0.174 nan 8.240 nan 0.000 0.483 990 P HA 0.101 nan 4.420 nan 0.000 0.265 990 P C 0.056 177.313 177.300 -0.072 0.000 1.193 990 P CA -0.263 62.800 63.100 -0.062 0.000 0.765 990 P CB 0.482 32.151 31.700 -0.053 0.000 0.823 991 E N 2.482 122.627 120.200 -0.091 0.000 2.360 991 E HA 0.009 4.358 4.350 -0.001 0.000 0.269 991 E C -0.255 176.273 176.600 -0.119 0.000 1.022 991 E CA -0.356 55.984 56.400 -0.101 0.000 0.887 991 E CB 0.490 30.122 29.700 -0.113 0.000 0.990 991 E HN 0.363 nan 8.360 nan 0.000 0.426 992 E N 3.541 123.693 120.200 -0.079 0.000 2.344 992 E HA 0.010 4.360 4.350 -0.001 0.000 0.270 992 E C -0.305 176.249 176.600 -0.076 0.000 1.021 992 E CA -0.157 56.211 56.400 -0.053 0.000 0.887 992 E CB 0.402 30.104 29.700 0.003 0.000 0.997 992 E HN 0.523 nan 8.360 nan 0.000 0.429 993 H N 2.102 121.166 119.070 -0.011 0.000 3.195 993 H HA -0.054 4.501 4.556 -0.001 0.000 0.302 993 H C 0.648 175.980 175.328 0.006 0.000 0.950 993 H CA 0.763 56.808 56.048 -0.005 0.000 1.398 993 H CB -0.075 29.684 29.762 -0.006 0.000 1.377 993 H HN 0.504 nan 8.280 nan 0.000 0.572 994 T N 0.750 115.372 114.554 0.114 0.000 2.858 994 T HA 0.441 4.790 4.350 -0.001 0.000 0.285 994 T C -0.098 174.655 174.700 0.089 0.000 1.052 994 T CA -1.214 60.944 62.100 0.097 0.000 1.009 994 T CB 2.024 70.936 68.868 0.072 0.000 1.241 994 T HN 0.517 nan 8.240 nan 0.000 0.542 995 Q N 0.674 120.527 119.800 0.089 0.000 2.230 995 Q HA 0.437 4.776 4.340 -0.001 0.000 0.253 995 Q C -0.405 175.626 176.000 0.051 0.000 0.919 995 Q CA -1.187 54.657 55.803 0.068 0.000 0.908 995 Q CB 1.140 29.925 28.738 0.078 0.000 1.245 995 Q HN 0.310 nan 8.270 nan 0.000 0.437 996 K N 1.546 121.964 120.400 0.029 0.000 2.382 996 K HA 0.125 4.444 4.320 -0.001 0.000 0.275 996 K C -0.564 176.042 176.600 0.009 0.000 1.009 996 K CA -0.275 56.019 56.287 0.012 0.000 0.970 996 K CB 0.346 32.842 32.500 -0.007 0.000 0.934 996 K HN 0.397 nan 8.250 nan 0.000 0.479 997 L N 2.898 124.123 121.223 0.003 0.000 2.280 997 L HA 0.245 4.585 4.340 -0.001 0.000 0.287 997 L C -0.720 176.115 176.870 -0.060 0.000 1.023 997 L CA -0.235 54.597 54.840 -0.013 0.000 0.819 997 L CB 1.037 43.102 42.059 0.009 0.000 1.212 997 L HN 0.426 nan 8.230 nan 0.000 0.420 998 D N 3.619 123.975 120.400 -0.074 0.000 2.472 998 D HA 0.160 4.800 4.640 -0.001 0.000 0.234 998 D C 1.087 177.291 176.300 -0.160 0.000 1.088 998 D CA -0.290 53.643 54.000 -0.111 0.000 0.882 998 D CB 1.267 42.042 40.800 -0.043 0.000 1.037 998 D HN 0.393 nan 8.370 nan 0.000 0.520 999 V N 1.379 121.101 119.914 -0.321 0.000 2.594 999 V HA -0.172 3.948 4.120 -0.001 0.000 0.253 999 V C 2.106 177.897 176.094 -0.505 0.000 1.069 999 V CA 1.001 62.942 62.300 -0.599 0.000 1.082 999 V CB -1.091 30.084 31.823 -1.080 0.000 0.680 999 V HN 0.603 nan 8.190 nan 0.000 0.469 1000 c N 0.457 118.899 118.600 -0.264 0.000 2.472 1000 c HA 0.064 4.633 4.570 -0.001 0.000 0.278 1000 c C 1.985 175.991 174.090 -0.139 0.000 1.447 1000 c CA 1.025 57.274 56.329 -0.133 0.000 1.773 1000 c CB -1.890 40.536 42.510 -0.140 0.000 1.793 1000 c HN 0.756 nan 8.230 nan 0.000 0.544 1001 H N -1.053 117.996 119.070 -0.035 0.000 2.505 1001 H HA 0.274 4.829 4.556 -0.001 0.000 0.286 1001 H C 1.645 177.008 175.328 0.058 0.000 1.072 1001 H CA -0.033 56.036 56.048 0.035 0.000 1.141 1001 H CB 0.089 29.852 29.762 0.001 0.000 1.550 1001 H HN 0.337 nan 8.280 nan 0.000 0.547 1002 L N -0.141 121.144 121.223 0.104 0.000 2.217 1002 L HA 0.029 4.368 4.340 -0.001 0.000 0.211 1002 L C 0.134 177.149 176.870 0.242 0.000 1.107 1002 L CA 0.818 55.746 54.840 0.146 0.000 0.783 1002 L CB 0.209 42.318 42.059 0.084 0.000 0.919 1002 L HN 0.216 nan 8.230 nan 0.000 0.442 1003 L N -0.206 121.120 121.223 0.172 0.000 2.334 1003 L HA 0.402 4.742 4.340 -0.001 0.000 0.273 1003 L C -2.107 174.819 176.870 0.093 0.000 1.013 1003 L CA -2.030 52.845 54.840 0.058 0.000 0.816 1003 L CB 1.610 43.476 42.059 -0.322 0.000 1.278 1003 L HN -0.210 nan 8.230 nan 0.000 0.431 1004 P HA 0.140 nan 4.420 nan 0.000 0.274 1004 P C -0.876 176.543 177.300 0.199 0.000 1.256 1004 P CA -0.293 62.881 63.100 0.122 0.000 0.795 1004 P CB 0.286 32.034 31.700 0.079 0.000 1.038 1005 N N -3.303 115.489 118.700 0.154 0.000 2.740 1005 N HA -0.148 4.591 4.740 -0.001 0.000 0.248 1005 N C -0.027 175.559 175.510 0.126 0.000 1.062 1005 N CA 0.043 53.171 53.050 0.129 0.000 0.704 1005 N CB -1.864 36.690 38.487 0.111 0.000 0.968 1005 N HN 0.254 nan 8.380 nan 0.000 0.547 1006 V N -0.072 119.868 119.914 0.043 0.000 2.655 1006 V HA 0.403 4.523 4.120 -0.001 0.000 0.300 1006 V C 1.164 177.150 176.094 -0.180 0.000 1.044 1006 V CA 1.108 63.260 62.300 -0.247 0.000 1.095 1006 V CB 1.281 32.863 31.823 -0.402 0.000 0.952 1006 V HN 0.423 nan 8.190 nan 0.000 0.485 1007 A N 6.888 129.577 122.820 -0.218 0.000 2.211 1007 A HA 0.485 4.805 4.320 -0.001 0.000 0.208 1007 A C 0.965 178.501 177.584 -0.079 0.000 1.250 1007 A CA 0.042 52.016 52.037 -0.106 0.000 0.935 1007 A CB 0.255 19.209 19.000 -0.076 0.000 0.982 1007 A HN 0.779 nan 8.150 nan 0.000 0.490 1008 R N -1.622 118.802 120.500 -0.127 0.000 2.629 1008 R HA 0.489 4.829 4.340 -0.001 0.000 0.266 1008 R C -2.305 173.966 176.300 -0.048 0.000 1.051 1008 R CA -0.341 55.746 56.100 -0.022 0.000 0.895 1008 R CB 1.541 31.823 30.300 -0.029 0.000 1.246 1008 R HN 0.296 nan 8.270 nan 0.000 0.459 1009 c N 2.698 121.330 118.600 0.054 0.000 2.431 1009 c HA 0.610 5.180 4.570 -0.001 0.000 0.321 1009 c C -1.181 173.008 174.090 0.165 0.000 1.202 1009 c CA -0.213 56.152 56.329 0.059 0.000 1.398 1009 c CB 1.179 43.687 42.510 -0.004 0.000 2.047 1009 c HN 0.910 nan 8.230 nan 0.000 0.465 1010 E N 3.077 123.392 120.200 0.190 0.000 2.248 1010 E HA 0.432 4.781 4.350 -0.001 0.000 0.267 1010 E C -0.917 175.860 176.600 0.294 0.000 0.877 1010 E CA -0.605 55.924 56.400 0.214 0.000 0.759 1010 E CB 1.868 31.651 29.700 0.139 0.000 1.182 1010 E HN 0.639 nan 8.360 nan 0.000 0.418 1011 R N 1.522 122.178 120.500 0.260 0.000 2.390 1011 R HA 0.295 4.634 4.340 -0.001 0.000 0.291 1011 R C -0.446 175.888 176.300 0.057 0.000 1.070 1011 R CA 0.157 56.332 56.100 0.126 0.000 1.014 1011 R CB 0.599 30.949 30.300 0.083 0.000 1.007 1011 R HN 0.692 nan 8.270 nan 0.000 0.466 1012 T N -0.280 114.282 114.554 0.012 0.000 2.907 1012 T HA 0.348 4.697 4.350 -0.001 0.000 0.290 1012 T C 0.096 174.783 174.700 -0.022 0.000 1.066 1012 T CA -0.778 61.349 62.100 0.046 0.000 1.012 1012 T CB 1.386 70.350 68.868 0.161 0.000 1.184 1012 T HN 0.625 nan 8.240 nan 0.000 0.522 1013 T N 0.176 114.720 114.554 -0.016 0.000 2.791 1013 T HA 0.180 4.529 4.350 -0.001 0.000 0.323 1013 T C 1.577 176.201 174.700 -0.126 0.000 1.082 1013 T CA -0.652 61.416 62.100 -0.053 0.000 1.084 1013 T CB -0.067 68.785 68.868 -0.026 0.000 0.992 1013 T HN 0.565 nan 8.240 nan 0.000 0.547 1014 L N 1.123 122.255 121.223 -0.152 0.000 2.362 1014 L HA -0.034 4.306 4.340 -0.001 0.000 0.219 1014 L C 2.869 179.441 176.870 -0.497 0.000 1.134 1014 L CA 1.413 56.091 54.840 -0.270 0.000 0.807 1014 L CB -0.994 40.996 42.059 -0.116 0.000 0.927 1014 L HN 0.992 nan 8.230 nan 0.000 0.447 1015 T N -4.676 109.698 114.554 -0.301 0.000 3.148 1015 T HA 0.010 4.359 4.350 -0.001 0.000 0.253 1015 T C 0.853 175.444 174.700 -0.182 0.000 1.134 1015 T CA -0.133 61.818 62.100 -0.249 0.000 1.051 1015 T CB -0.322 68.526 68.868 -0.033 0.000 0.959 1015 T HN 0.330 nan 8.240 nan 0.000 0.525 1016 F N -0.892 119.069 119.950 0.017 0.000 2.794 1016 F HA -0.212 4.315 4.527 -0.001 0.000 0.335 1016 F C 1.097 176.895 175.800 -0.004 0.000 0.653 1016 F CA 0.129 58.132 58.000 0.004 0.000 1.266 1016 F CB -2.107 36.891 39.000 -0.004 0.000 1.666 1016 F HN 0.206 nan 8.300 nan 0.000 0.314 1017 L N -0.438 120.853 121.223 0.114 0.000 2.529 1017 L HA 0.102 4.442 4.340 -0.001 0.000 0.223 1017 L C 0.939 177.829 176.870 0.034 0.000 1.113 1017 L CA 0.872 55.751 54.840 0.065 0.000 0.861 1017 L CB 0.225 42.305 42.059 0.036 0.000 1.012 1017 L HN 0.312 nan 8.230 nan 0.000 0.461 1018 Q N 0.506 120.326 119.800 0.034 0.000 2.305 1018 Q HA 0.269 4.608 4.340 -0.001 0.000 0.271 1018 Q C -1.169 174.848 176.000 0.028 0.000 1.046 1018 Q CA -0.719 55.092 55.803 0.014 0.000 0.798 1018 Q CB 1.879 30.612 28.738 -0.008 0.000 1.286 1018 Q HN 0.078 nan 8.270 nan 0.000 0.435 1019 N N 4.545 123.260 118.700 0.024 0.000 2.470 1019 N HA 0.176 4.915 4.740 -0.001 0.000 0.268 1019 N C 0.266 175.793 175.510 0.027 0.000 1.136 1019 N CA 0.222 53.293 53.050 0.035 0.000 0.961 1019 N CB 1.099 39.602 38.487 0.025 0.000 1.067 1019 N HN 0.655 nan 8.380 nan 0.000 0.468 1020 L N 0.594 121.838 121.223 0.035 0.000 2.537 1020 L HA 0.280 4.619 4.340 -0.001 0.000 0.224 1020 L C 0.627 177.525 176.870 0.047 0.000 1.065 1020 L CA 0.392 55.248 54.840 0.026 0.000 0.860 1020 L CB 0.348 42.413 42.059 0.009 0.000 1.086 1020 L HN 0.543 nan 8.230 nan 0.000 0.482 1021 E N -0.469 119.778 120.200 0.079 0.000 2.354 1021 E HA 0.116 4.465 4.350 -0.001 0.000 0.283 1021 E C -1.334 175.367 176.600 0.167 0.000 0.938 1021 E CA -0.583 55.880 56.400 0.105 0.000 0.777 1021 E CB 1.472 31.227 29.700 0.092 0.000 1.222 1021 E HN 0.105 nan 8.360 nan 0.000 0.423 1022 H N 6.037 125.133 119.070 0.043 0.000 2.652 1022 H HA 0.332 4.887 4.556 -0.001 0.000 0.298 1022 H C -0.785 174.567 175.328 0.041 0.000 1.076 1022 H CA -0.582 55.488 56.048 0.038 0.000 1.360 1022 H CB 0.652 30.427 29.762 0.021 0.000 1.421 1022 H HN 0.365 nan 8.280 nan 0.000 0.464 1023 L N 5.053 126.270 121.223 -0.010 0.000 2.292 1023 L HA 0.109 4.449 4.340 -0.001 0.000 0.284 1023 L C 0.138 176.894 176.870 -0.192 0.000 1.065 1023 L CA -0.933 53.866 54.840 -0.069 0.000 0.806 1023 L CB 1.125 43.200 42.059 0.027 0.000 1.175 1023 L HN 0.679 nan 8.230 nan 0.000 0.431 1024 D N 2.767 123.072 120.400 -0.158 0.000 2.531 1024 D HA 0.124 4.763 4.640 -0.001 0.000 0.239 1024 D C 1.178 177.435 176.300 -0.073 0.000 1.144 1024 D CA 1.462 55.384 54.000 -0.130 0.000 0.869 1024 D CB 0.927 41.681 40.800 -0.078 0.000 1.160 1024 D HN 0.838 nan 8.370 nan 0.000 0.484 1025 G N 3.213 111.978 108.800 -0.059 0.000 2.168 1025 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.263 1025 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.263 1025 G C 0.816 175.753 174.900 0.063 0.000 0.977 1025 G CA 0.392 45.492 45.100 -0.000 0.000 0.659 1025 G HN 0.648 nan 8.290 nan 0.000 0.533 1026 M N -2.596 117.015 119.600 0.019 0.000 2.576 1026 M HA -0.195 4.284 4.480 -0.001 0.000 0.200 1026 M C 0.147 176.496 176.300 0.081 0.000 0.487 1026 M CA 0.957 56.273 55.300 0.026 0.000 0.553 1026 M CB -1.885 30.706 32.600 -0.015 0.000 2.042 1026 M HN 0.235 nan 8.290 nan 0.000 0.758 1027 V N 0.806 120.749 119.914 0.048 0.000 2.398 1027 V HA 0.701 4.820 4.120 -0.001 0.000 0.286 1027 V C 0.666 176.690 176.094 -0.115 0.000 1.026 1027 V CA -0.310 61.998 62.300 0.013 0.000 0.868 1027 V CB 1.728 33.542 31.823 -0.014 0.000 0.982 1027 V HN 0.376 nan 8.190 nan 0.000 0.443 1028 A N 7.941 130.606 122.820 -0.258 0.000 2.310 1028 A HA 0.719 5.039 4.320 -0.001 0.000 0.300 1028 A C -2.416 174.890 177.584 -0.464 0.000 1.269 1028 A CA -1.414 50.227 52.037 -0.660 0.000 0.909 1028 A CB 0.027 18.312 19.000 -1.191 0.000 1.144 1028 A HN 0.640 nan 8.150 nan 0.000 0.540 1029 P HA 0.161 nan 4.420 nan 0.000 0.272 1029 P C -0.039 177.249 177.300 -0.020 0.000 1.223 1029 P CA -0.130 62.925 63.100 -0.076 0.000 0.784 1029 P CB 0.572 32.291 31.700 0.031 0.000 0.923 1030 E N -0.194 120.011 120.200 0.009 0.000 2.392 1030 E HA 0.266 4.615 4.350 -0.001 0.000 0.256 1030 E C -0.018 176.635 176.600 0.088 0.000 1.145 1030 E CA -0.788 55.646 56.400 0.056 0.000 0.929 1030 E CB 0.470 30.185 29.700 0.024 0.000 0.998 1030 E HN 0.280 nan 8.360 nan 0.000 0.442 1031 V N -1.632 118.334 119.914 0.087 0.000 2.966 1031 V HA 0.387 4.507 4.120 -0.001 0.000 0.317 1031 V C 0.087 176.185 176.094 0.007 0.000 1.070 1031 V CA -1.114 61.227 62.300 0.068 0.000 1.008 1031 V CB 1.301 33.170 31.823 0.077 0.000 1.070 1031 V HN 0.748 nan 8.190 nan 0.000 0.457 1032 c N 2.639 121.238 118.600 -0.002 0.000 2.580 1032 c HA 0.433 5.003 4.570 -0.001 0.000 0.371 1032 c C -2.080 171.956 174.090 -0.089 0.000 1.308 1032 c CA -0.304 56.005 56.329 -0.034 0.000 2.428 1032 c CB -0.041 42.465 42.510 -0.007 0.000 2.529 1032 c HN 0.812 nan 8.230 nan 0.000 0.657 1033 P HA 0.046 nan 4.420 nan 0.000 0.265 1033 P C 0.264 177.419 177.300 -0.243 0.000 1.193 1033 P CA 0.895 63.863 63.100 -0.220 0.000 0.765 1033 P CB 0.181 31.730 31.700 -0.252 0.000 0.823 1034 M N -1.147 118.261 119.600 -0.320 0.000 2.907 1034 M HA -0.183 4.297 4.480 -0.001 0.000 0.186 1034 M C -0.177 176.139 176.300 0.028 0.000 0.631 1034 M CA 1.391 56.499 55.300 -0.320 0.000 0.700 1034 M CB -2.085 30.011 32.600 -0.839 0.000 2.523 1034 M HN 0.411 nan 8.290 nan 0.000 0.323 1035 E N 0.415 120.615 120.200 0.000 0.000 2.227 1035 E HA 0.718 5.068 4.350 -0.001 0.000 0.268 1035 E C 0.116 176.787 176.600 0.118 0.000 0.990 1035 E CA -0.140 56.331 56.400 0.119 0.000 0.856 1035 E CB 1.425 31.162 29.700 0.063 0.000 1.159 1035 E HN 0.135 nan 8.360 nan 0.000 0.401 1036 T N 0.507 115.150 114.554 0.148 0.000 2.881 1036 T HA 0.696 5.045 4.350 -0.001 0.000 0.290 1036 T C -0.835 173.883 174.700 0.029 0.000 1.000 1036 T CA -0.659 61.536 62.100 0.158 0.000 0.978 1036 T CB 1.594 70.569 68.868 0.178 0.000 0.997 1036 T HN 0.521 nan 8.240 nan 0.000 0.443 1037 A N 1.914 124.751 122.820 0.029 0.000 2.515 1037 A HA 1.006 5.326 4.320 -0.001 0.000 0.296 1037 A C -1.044 176.439 177.584 -0.167 0.000 1.094 1037 A CA -0.936 51.020 52.037 -0.137 0.000 0.718 1037 A CB 1.543 20.416 19.000 -0.212 0.000 1.307 1037 A HN 1.119 nan 8.150 nan 0.000 0.408 1038 A N 0.149 122.779 122.820 -0.316 0.000 2.401 1038 A HA 0.834 5.153 4.320 -0.001 0.000 0.310 1038 A C -1.506 175.881 177.584 -0.330 0.000 1.075 1038 A CA -0.375 51.589 52.037 -0.121 0.000 0.746 1038 A CB 0.807 19.775 19.000 -0.054 0.000 1.277 1038 A HN 0.861 nan 8.150 nan 0.000 0.425 1039 Y N 0.031 120.547 120.300 0.361 0.000 2.512 1039 Y HA 0.581 5.131 4.550 -0.001 0.000 0.348 1039 Y C -0.281 175.794 175.900 0.291 0.000 0.990 1039 Y CA -0.931 57.337 58.100 0.280 0.000 1.033 1039 Y CB 2.628 41.216 38.460 0.214 0.000 1.259 1039 Y HN 0.425 nan 8.280 nan 0.000 0.461 1040 V N 2.299 122.415 119.914 0.337 0.000 2.531 1040 V HA 0.455 4.574 4.120 -0.001 0.000 0.301 1040 V C -0.692 175.487 176.094 0.141 0.000 1.034 1040 V CA -0.913 61.478 62.300 0.151 0.000 0.865 1040 V CB 1.835 33.680 31.823 0.037 0.000 0.995 1040 V HN 0.827 nan 8.190 nan 0.000 0.424 1041 S N 3.356 119.146 115.700 0.151 0.000 2.525 1041 S HA 0.733 5.202 4.470 -0.001 0.000 0.290 1041 S C -0.238 174.300 174.600 -0.104 0.000 1.152 1041 S CA -0.603 57.613 58.200 0.026 0.000 1.072 1041 S CB 1.606 64.901 63.200 0.158 0.000 1.027 1041 S HN 0.570 nan 8.310 nan 0.000 0.500 1042 S N 2.340 117.847 115.700 -0.321 0.000 2.501 1042 S HA 0.541 5.011 4.470 -0.001 0.000 0.301 1042 S C -0.880 173.373 174.600 -0.579 0.000 1.096 1042 S CA -0.781 57.254 58.200 -0.275 0.000 1.063 1042 S CB 0.539 63.655 63.200 -0.140 0.000 1.042 1042 S HN 0.788 nan 8.310 nan 0.000 0.494 1043 H N 0.465 119.520 119.070 -0.025 0.000 2.679 1043 H HA 0.353 4.908 4.556 -0.001 0.000 0.360 1043 H C -0.443 174.876 175.328 -0.014 0.000 1.105 1043 H CA -0.516 55.520 56.048 -0.019 0.000 1.196 1043 H CB 1.879 31.632 29.762 -0.015 0.000 1.636 1043 H HN 0.585 nan 8.280 nan 0.000 0.531 1044 S N 2.387 118.134 115.700 0.078 0.000 2.528 1044 S HA 0.324 4.793 4.470 -0.001 0.000 0.277 1044 S C 0.286 174.922 174.600 0.060 0.000 1.297 1044 S CA -0.284 57.946 58.200 0.049 0.000 1.052 1044 S CB 0.127 63.343 63.200 0.027 0.000 0.917 1044 S HN 0.752 nan 8.310 nan 0.000 0.492 1045 S N 0.000 115.726 115.700 0.043 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1045 S CB 0.000 63.219 63.200 0.032 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517