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 3bvv_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 0.000 176.007 176.000 0.012 0.000 1.003 30 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 31 c N 3.181 121.784 118.600 0.005 0.000 2.644 31 c HA 0.169 4.739 4.570 -0.001 0.000 0.417 31 c C 0.733 174.834 174.090 0.018 0.000 1.304 31 c CA -0.243 56.091 56.329 0.008 0.000 2.035 31 c CB 0.495 42.997 42.510 -0.014 0.000 2.673 31 c HN 0.698 nan 8.230 nan 0.000 0.602 32 Q N 1.754 121.580 119.800 0.044 0.000 2.361 32 Q HA 0.037 4.377 4.340 -0.001 0.000 0.276 32 Q C -0.007 176.024 176.000 0.050 0.000 1.022 32 Q CA 0.480 56.324 55.803 0.070 0.000 0.898 32 Q CB 0.518 29.334 28.738 0.131 0.000 1.246 32 Q HN 0.637 nan 8.270 nan 0.000 0.410 33 D N 1.838 122.270 120.400 0.053 0.000 2.316 33 D HA 0.067 4.707 4.640 -0.001 0.000 0.245 33 D C 0.512 176.860 176.300 0.079 0.000 1.171 33 D CA -0.191 53.823 54.000 0.023 0.000 0.856 33 D CB 1.277 42.089 40.800 0.021 0.000 1.090 33 D HN 0.386 nan 8.370 nan 0.000 0.476 34 V N 2.214 122.125 119.914 -0.006 0.000 3.649 34 V HA 0.084 4.203 4.120 -0.001 0.000 0.275 34 V C 1.081 177.223 176.094 0.080 0.000 1.281 34 V CA 0.137 62.487 62.300 0.082 0.000 1.143 34 V CB 0.230 31.910 31.823 -0.237 0.000 0.892 34 V HN 0.388 nan 8.190 nan 0.000 0.441 35 V N 0.024 119.905 119.914 -0.054 0.000 3.013 35 V HA 0.113 4.233 4.120 -0.001 0.000 0.238 35 V C 2.226 178.308 176.094 -0.019 0.000 1.161 35 V CA 1.206 63.427 62.300 -0.132 0.000 1.170 35 V CB 0.083 31.773 31.823 -0.222 0.000 0.917 35 V HN 0.494 nan 8.190 nan 0.000 0.478 36 Q N -0.333 119.500 119.800 0.056 0.000 2.319 36 Q HA 0.159 4.498 4.340 -0.001 0.000 0.209 36 Q C -0.531 175.552 176.000 0.137 0.000 0.884 36 Q CA 0.193 56.044 55.803 0.080 0.000 0.938 36 Q CB 0.720 29.476 28.738 0.031 0.000 1.098 36 Q HN 0.487 nan 8.270 nan 0.000 0.517 37 D N 1.385 121.900 120.400 0.193 0.000 2.453 37 D HA 0.175 4.815 4.640 -0.001 0.000 0.238 37 D C -0.712 175.697 176.300 0.182 0.000 1.088 37 D CA -0.235 53.861 54.000 0.160 0.000 0.854 37 D CB 2.151 43.025 40.800 0.123 0.000 1.076 37 D HN -0.156 nan 8.370 nan 0.000 0.533 38 V N 4.440 124.430 119.914 0.126 0.000 2.439 38 V HA 0.129 4.249 4.120 -0.001 0.000 0.271 38 V C -1.820 174.251 176.094 -0.039 0.000 1.040 38 V CA -1.115 61.181 62.300 -0.007 0.000 1.002 38 V CB 0.399 32.229 31.823 0.012 0.000 1.000 38 V HN 0.297 nan 8.190 nan 0.000 0.477 39 P HA 0.098 nan 4.420 nan 0.000 0.268 39 P C -0.414 176.856 177.300 -0.049 0.000 1.205 39 P CA -0.181 62.886 63.100 -0.054 0.000 0.771 39 P CB 0.348 31.997 31.700 -0.085 0.000 0.858 40 N N 2.652 121.338 118.700 -0.023 0.000 2.462 40 N HA 0.311 5.050 4.740 -0.001 0.000 0.242 40 N C -1.078 174.423 175.510 -0.016 0.000 1.010 40 N CA -0.403 52.637 53.050 -0.017 0.000 0.939 40 N CB 0.033 38.519 38.487 -0.003 0.000 1.127 40 N HN 0.122 nan 8.380 nan 0.000 0.509 41 V N 0.475 120.372 119.914 -0.027 0.000 2.864 41 V HA 0.536 4.656 4.120 -0.001 0.000 0.314 41 V C 0.634 176.713 176.094 -0.026 0.000 1.073 41 V CA -0.743 61.543 62.300 -0.023 0.000 0.956 41 V CB 2.056 33.853 31.823 -0.042 0.000 1.023 41 V HN 0.370 nan 8.190 nan 0.000 0.435 42 D N 1.211 121.603 120.400 -0.014 0.000 2.144 42 D HA 0.007 4.646 4.640 -0.001 0.000 0.200 42 D C 0.532 176.801 176.300 -0.052 0.000 0.978 42 D CA 1.601 55.590 54.000 -0.019 0.000 0.833 42 D CB 0.405 41.210 40.800 0.008 0.000 0.961 42 D HN 0.434 nan 8.370 nan 0.000 0.470 43 V N 1.499 121.361 119.914 -0.087 0.000 2.483 43 V HA 0.213 4.332 4.120 -0.001 0.000 0.297 43 V C -0.339 175.659 176.094 -0.161 0.000 1.027 43 V CA -0.747 61.471 62.300 -0.137 0.000 0.855 43 V CB 2.363 34.060 31.823 -0.210 0.000 0.995 43 V HN -0.079 nan 8.190 nan 0.000 0.424 44 Q N 4.576 124.294 119.800 -0.137 0.000 2.341 44 Q HA 0.440 4.779 4.340 -0.001 0.000 0.268 44 Q C 0.388 176.293 176.000 -0.159 0.000 1.013 44 Q CA -0.680 55.035 55.803 -0.147 0.000 0.798 44 Q CB 1.893 30.567 28.738 -0.108 0.000 1.253 44 Q HN 0.672 nan 8.270 nan 0.000 0.457 45 M N 3.039 122.497 119.600 -0.235 0.000 2.213 45 M HA -0.146 4.333 4.480 -0.001 0.000 0.263 45 M C 1.591 177.790 176.300 -0.168 0.000 1.062 45 M CA 0.898 56.046 55.300 -0.254 0.000 1.105 45 M CB -0.751 31.564 32.600 -0.475 0.000 1.385 45 M HN 0.559 nan 8.290 nan 0.000 0.417 46 L N 0.690 121.809 121.223 -0.173 0.000 2.056 46 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 46 L C 2.483 179.349 176.870 -0.008 0.000 1.078 46 L CA 1.794 56.566 54.840 -0.113 0.000 0.749 46 L CB -0.639 41.329 42.059 -0.151 0.000 0.901 46 L HN 0.261 nan 8.230 nan 0.000 0.433 47 E N -0.391 119.791 120.200 -0.032 0.000 2.077 47 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 47 E C 2.204 178.818 176.600 0.022 0.000 0.989 47 E CA 1.446 57.841 56.400 -0.009 0.000 0.800 47 E CB -0.291 29.389 29.700 -0.033 0.000 0.746 47 E HN 0.429 nan 8.360 nan 0.000 0.452 48 L N 0.474 121.709 121.223 0.020 0.000 2.012 48 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 48 L C 2.307 179.243 176.870 0.110 0.000 1.073 48 L CA 1.674 56.533 54.840 0.031 0.000 0.748 48 L CB -0.988 41.077 42.059 0.010 0.000 0.891 48 L HN 0.144 nan 8.230 nan 0.000 0.431 49 Y N -0.110 120.192 120.300 0.003 0.000 2.207 49 Y HA -0.277 4.273 4.550 -0.001 0.000 0.287 49 Y C 2.572 178.568 175.900 0.160 0.000 1.156 49 Y CA 1.834 60.027 58.100 0.155 0.000 1.182 49 Y CB -0.639 37.913 38.460 0.152 0.000 0.979 49 Y HN 0.361 nan 8.280 nan 0.000 0.521 50 D N -0.496 120.019 120.400 0.192 0.000 2.144 50 D HA -0.150 4.490 4.640 -0.001 0.000 0.200 50 D C 2.324 178.665 176.300 0.069 0.000 0.978 50 D CA 1.134 55.199 54.000 0.109 0.000 0.833 50 D CB -0.068 40.770 40.800 0.063 0.000 0.961 50 D HN 0.232 nan 8.370 nan 0.000 0.470 51 R N -1.102 119.420 120.500 0.038 0.000 2.140 51 R HA 0.163 4.503 4.340 -0.001 0.000 0.213 51 R C 0.714 176.991 176.300 -0.038 0.000 1.059 51 R CA 0.015 56.112 56.100 -0.005 0.000 1.000 51 R CB 0.074 30.358 30.300 -0.026 0.000 0.910 51 R HN 0.138 nan 8.270 nan 0.000 0.455 52 M N 0.726 120.269 119.600 -0.095 0.000 2.252 52 M HA -0.038 4.442 4.480 -0.001 0.000 0.333 52 M C 1.270 177.514 176.300 -0.093 0.000 1.111 52 M CA 0.264 55.410 55.300 -0.256 0.000 1.140 52 M CB 1.534 33.686 32.600 -0.746 0.000 1.538 52 M HN 0.145 nan 8.290 nan 0.000 0.448 53 S N 1.176 116.811 115.700 -0.108 0.000 2.503 53 S HA 0.110 4.580 4.470 -0.001 0.000 0.217 53 S C 0.594 175.303 174.600 0.181 0.000 0.999 53 S CA -0.280 57.951 58.200 0.051 0.000 0.914 53 S CB -0.191 63.015 63.200 0.009 0.000 0.782 53 S HN 0.766 nan 8.310 nan 0.000 0.520 54 F N 0.985 120.868 119.950 -0.111 0.000 3.093 54 F HA -0.150 4.377 4.527 -0.001 0.000 0.287 54 F C 0.165 175.980 175.800 0.025 0.000 0.882 54 F CA 0.304 58.246 58.000 -0.096 0.000 1.063 54 F CB -1.864 37.055 39.000 -0.136 0.000 1.097 54 F HN 0.096 nan 8.300 nan 0.000 0.604 55 K N 1.082 121.565 120.400 0.139 0.000 2.350 55 K HA 0.173 4.493 4.320 -0.001 0.000 0.279 55 K C 0.270 176.982 176.600 0.187 0.000 1.027 55 K CA -0.150 56.220 56.287 0.138 0.000 0.969 55 K CB 0.644 33.185 32.500 0.070 0.000 0.954 55 K HN 0.094 nan 8.250 nan 0.000 0.474 56 D N 3.525 124.044 120.400 0.198 0.000 2.540 56 D HA 0.183 4.823 4.640 -0.001 0.000 0.251 56 D C -0.311 176.032 176.300 0.072 0.000 1.159 56 D CA -0.524 53.597 54.000 0.202 0.000 0.974 56 D CB -0.563 40.372 40.800 0.224 0.000 0.996 56 D HN 0.473 nan 8.370 nan 0.000 0.512 57 I N -1.476 119.123 120.570 0.049 0.000 2.577 57 I HA 0.512 4.682 4.170 -0.001 0.000 0.305 57 I C 0.104 176.209 176.117 -0.021 0.000 0.986 57 I CA -1.039 60.268 61.300 0.011 0.000 1.189 57 I CB 1.444 39.452 38.000 0.013 0.000 1.355 57 I HN -0.142 nan 8.210 nan 0.000 0.476 58 D N 3.964 124.351 120.400 -0.022 0.000 2.346 58 D HA 0.174 4.813 4.640 -0.001 0.000 0.260 58 D C 1.007 177.293 176.300 -0.025 0.000 1.252 58 D CA 0.074 54.056 54.000 -0.031 0.000 0.895 58 D CB 1.427 42.216 40.800 -0.018 0.000 1.097 58 D HN 0.821 nan 8.370 nan 0.000 0.489 59 G N 2.438 111.208 108.800 -0.051 0.000 2.985 59 G HA2 0.428 4.387 3.960 -0.001 0.000 0.209 59 G HA3 0.428 4.387 3.960 -0.001 0.000 0.209 59 G C 0.900 175.802 174.900 0.002 0.000 1.165 59 G CA 0.364 45.437 45.100 -0.044 0.000 0.776 59 G HN 0.927 nan 8.290 nan 0.000 0.541 60 G N -0.577 108.228 108.800 0.009 0.000 2.464 60 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.216 60 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.216 60 G C 1.208 176.129 174.900 0.034 0.000 1.186 60 G CA 0.731 45.848 45.100 0.028 0.000 1.010 60 G HN 1.105 nan 8.290 nan 0.000 0.585 61 V N -3.537 116.396 119.914 0.033 0.000 2.407 61 V HA 0.082 4.202 4.120 -0.001 0.000 0.248 61 V C 1.480 177.600 176.094 0.042 0.000 1.055 61 V CA 2.417 64.718 62.300 0.002 0.000 1.049 61 V CB -0.578 31.213 31.823 -0.054 0.000 0.662 61 V HN 1.417 nan 8.190 nan 0.000 0.455 62 W N 2.658 123.865 121.300 -0.155 0.000 2.365 62 W HA 0.419 5.078 4.660 -0.001 0.000 0.371 62 W C 1.182 177.662 176.519 -0.065 0.000 1.006 62 W CA -1.694 55.553 57.345 -0.163 0.000 1.528 62 W CB 0.142 29.471 29.460 -0.218 0.000 1.497 62 W HN 0.067 nan 8.180 nan 0.000 0.367 63 K N 2.596 123.082 120.400 0.143 0.000 2.147 63 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 63 K C 0.851 177.373 176.600 -0.129 0.000 1.049 63 K CA 1.449 57.729 56.287 -0.012 0.000 0.936 63 K CB 0.180 32.666 32.500 -0.024 0.000 0.722 63 K HN 0.559 nan 8.250 nan 0.000 0.446 64 Q N -0.755 118.931 119.800 -0.189 0.000 2.188 64 Q HA 0.153 4.493 4.340 -0.001 0.000 0.212 64 Q C 0.785 176.432 176.000 -0.588 0.000 0.846 64 Q CA -0.338 55.327 55.803 -0.231 0.000 0.989 64 Q CB 1.311 30.043 28.738 -0.009 0.000 1.114 64 Q HN 0.209 nan 8.270 nan 0.000 0.488 65 G N 0.600 108.632 108.800 -1.280 0.000 3.392 65 G HA2 0.524 4.483 3.960 -0.001 0.000 0.185 65 G HA3 0.524 4.483 3.960 -0.001 0.000 0.185 65 G C -1.470 173.110 174.900 -0.533 0.000 1.206 65 G CA -0.353 43.704 45.100 -1.738 0.000 0.776 65 G HN 0.353 nan 8.290 nan 0.000 0.697 66 W N -1.320 119.683 121.300 -0.495 0.000 2.988 66 W HA 0.654 5.314 4.660 -0.001 0.000 0.355 66 W C -1.445 175.159 176.519 0.142 0.000 1.233 66 W CA -1.174 56.115 57.345 -0.093 0.000 1.176 66 W CB 0.677 30.099 29.460 -0.064 0.000 1.477 66 W HN 0.181 nan 8.180 nan 0.000 0.582 67 N N 2.075 120.926 118.700 0.251 0.000 2.402 67 N HA 0.221 4.961 4.740 -0.001 0.000 0.259 67 N C -0.326 175.320 175.510 0.227 0.000 1.167 67 N CA 0.009 53.161 53.050 0.171 0.000 0.949 67 N CB 0.284 38.871 38.487 0.167 0.000 1.212 67 N HN 0.404 nan 8.380 nan 0.000 0.493 68 I N 2.348 122.959 120.570 0.069 0.000 2.588 68 I HA 0.016 4.186 4.170 -0.001 0.000 0.283 68 I C 0.707 176.982 176.117 0.264 0.000 1.119 68 I CA 0.113 61.521 61.300 0.181 0.000 1.419 68 I CB 0.459 38.510 38.000 0.085 0.000 1.394 68 I HN 0.028 nan 8.210 nan 0.000 0.562 69 K N 6.556 127.148 120.400 0.319 0.000 2.259 69 K HA 0.516 4.835 4.320 -0.001 0.000 0.252 69 K C -1.003 175.766 176.600 0.281 0.000 0.936 69 K CA -0.720 55.691 56.287 0.206 0.000 0.810 69 K CB 2.196 34.785 32.500 0.149 0.000 1.143 69 K HN 0.509 nan 8.250 nan 0.000 0.427 70 Y N -2.041 118.350 120.300 0.152 0.000 2.553 70 Y HA 0.439 4.988 4.550 -0.001 0.000 0.347 70 Y C -0.535 175.438 175.900 0.121 0.000 1.019 70 Y CA -1.497 56.693 58.100 0.150 0.000 1.032 70 Y CB 1.174 39.749 38.460 0.191 0.000 1.284 70 Y HN 0.388 nan 8.280 nan 0.000 0.466 71 D N 4.500 125.030 120.400 0.216 0.000 2.336 71 D HA 0.225 4.864 4.640 -0.001 0.000 0.249 71 D C -1.598 174.848 176.300 0.244 0.000 1.213 71 D CA -2.586 51.489 54.000 0.125 0.000 0.870 71 D CB 1.438 42.287 40.800 0.083 0.000 1.076 71 D HN 0.448 nan 8.370 nan 0.000 0.483 72 P HA -0.124 nan 4.420 nan 0.000 0.221 72 P C 1.324 178.779 177.300 0.257 0.000 1.145 72 P CA 0.735 64.032 63.100 0.327 0.000 0.795 72 P CB 0.322 32.140 31.700 0.197 0.000 0.775 73 L N -0.718 120.594 121.223 0.149 0.000 2.599 73 L HA 0.103 4.442 4.340 -0.001 0.000 0.230 73 L C 2.603 179.502 176.870 0.048 0.000 1.141 73 L CA 0.327 55.229 54.840 0.104 0.000 0.877 73 L CB -0.642 41.457 42.059 0.066 0.000 1.009 73 L HN -0.040 nan 8.230 nan 0.000 0.447 74 K N 0.506 120.893 120.400 -0.021 0.000 2.097 74 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 74 K C -0.078 176.325 176.600 -0.328 0.000 1.049 74 K CA 1.124 57.264 56.287 -0.246 0.000 0.933 74 K CB 0.104 32.336 32.500 -0.446 0.000 0.717 74 K HN 0.099 nan 8.250 nan 0.000 0.442 75 Y N 0.657 121.076 120.300 0.197 0.000 2.387 75 Y HA 0.266 4.816 4.550 -0.000 0.000 0.330 75 Y C 0.129 176.112 175.900 0.139 0.000 1.133 75 Y CA -1.045 57.163 58.100 0.179 0.000 1.152 75 Y CB 1.297 39.823 38.460 0.111 0.000 1.215 75 Y HN 0.245 nan 8.280 nan 0.000 0.466 76 N N -0.926 117.938 118.700 0.272 0.000 3.378 76 N HA 0.495 5.235 4.740 -0.001 0.000 0.294 76 N C -0.055 175.497 175.510 0.070 0.000 1.544 76 N CA -0.439 52.700 53.050 0.149 0.000 0.872 76 N CB 0.306 38.869 38.487 0.126 0.000 1.670 76 N HN 0.489 nan 8.380 nan 0.000 0.551 77 A N -1.338 121.443 122.820 -0.065 0.000 2.024 77 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 77 A C 0.890 178.324 177.584 -0.249 0.000 1.164 77 A CA 1.309 53.217 52.037 -0.214 0.000 0.643 77 A CB -1.005 17.769 19.000 -0.377 0.000 0.806 77 A HN 0.677 nan 8.150 nan 0.000 0.451 78 H N -2.875 116.251 119.070 0.093 0.000 2.551 78 H HA 0.156 4.711 4.556 -0.001 0.000 0.271 78 H C -0.405 175.026 175.328 0.172 0.000 0.984 78 H CA 0.611 56.718 56.048 0.099 0.000 1.164 78 H CB 0.149 29.958 29.762 0.077 0.000 1.437 78 H HN 0.709 nan 8.280 nan 0.000 0.550 79 H N 0.554 119.705 119.070 0.136 0.000 2.852 79 H HA 0.293 4.848 4.556 -0.000 0.000 0.274 79 H C -0.740 174.702 175.328 0.189 0.000 1.321 79 H CA -0.447 55.684 56.048 0.138 0.000 1.582 79 H CB 0.277 30.109 29.762 0.117 0.000 1.699 79 H HN -0.058 nan 8.280 nan 0.000 0.546 80 K N 2.202 122.562 120.400 -0.067 0.000 2.087 80 K HA 0.316 4.635 4.320 -0.001 0.000 0.255 80 K C -0.719 175.771 176.600 -0.184 0.000 0.988 80 K CA -1.254 54.991 56.287 -0.070 0.000 0.915 80 K CB 1.695 34.139 32.500 -0.094 0.000 1.043 80 K HN 0.229 nan 8.250 nan 0.000 0.457 81 L N 2.336 123.379 121.223 -0.299 0.000 2.281 81 L HA 0.174 4.514 4.340 -0.001 0.000 0.285 81 L C -0.932 175.731 176.870 -0.345 0.000 1.074 81 L CA 0.261 54.860 54.840 -0.401 0.000 0.817 81 L CB 0.242 41.852 42.059 -0.749 0.000 1.168 81 L HN 0.386 nan 8.230 nan 0.000 0.434 82 K N 4.443 124.651 120.400 -0.319 0.000 2.234 82 K HA 0.560 4.880 4.320 -0.001 0.000 0.277 82 K C -1.186 175.086 176.600 -0.547 0.000 1.038 82 K CA -0.561 55.468 56.287 -0.431 0.000 0.888 82 K CB 1.645 33.930 32.500 -0.358 0.000 1.091 82 K HN 0.394 nan 8.250 nan 0.000 0.467 83 V N 4.646 124.113 119.914 -0.746 0.000 2.409 83 V HA 0.384 4.503 4.120 -0.001 0.000 0.291 83 V C -0.936 174.608 176.094 -0.916 0.000 1.020 83 V CA -0.814 60.994 62.300 -0.820 0.000 0.848 83 V CB 0.640 31.798 31.823 -1.109 0.000 0.990 83 V HN 0.547 nan 8.190 nan 0.000 0.430 84 F N 3.707 123.409 119.950 -0.413 0.000 2.361 84 F HA 0.505 5.031 4.527 -0.001 0.000 0.364 84 F C 0.182 175.801 175.800 -0.301 0.000 1.117 84 F CA -0.729 57.083 58.000 -0.314 0.000 1.071 84 F CB 1.752 40.637 39.000 -0.192 0.000 1.188 84 F HN 0.184 nan 8.300 nan 0.000 0.464 85 V N 5.082 124.959 119.914 -0.061 0.000 2.385 85 V HA 0.295 4.414 4.120 -0.001 0.000 0.269 85 V C -0.195 176.003 176.094 0.174 0.000 1.043 85 V CA -0.628 61.701 62.300 0.049 0.000 0.906 85 V CB 1.227 33.147 31.823 0.162 0.000 0.995 85 V HN 0.434 nan 8.190 nan 0.000 0.467 86 V N 8.384 128.349 119.914 0.085 0.000 2.275 86 V HA 0.311 4.430 4.120 -0.001 0.000 0.272 86 V C -2.357 173.777 176.094 0.066 0.000 1.028 86 V CA -1.910 60.405 62.300 0.026 0.000 0.810 86 V CB 1.368 33.114 31.823 -0.128 0.000 1.043 86 V HN 0.719 nan 8.190 nan 0.000 0.453 87 P HA 0.333 nan 4.420 nan 0.000 0.271 87 P C -0.833 176.467 177.300 0.001 0.000 1.216 87 P CA 0.255 63.337 63.100 -0.030 0.000 0.771 87 P CB 0.365 31.862 31.700 -0.340 0.000 0.864 88 H N -1.145 117.922 119.070 -0.005 0.000 2.990 88 H HA 0.791 5.346 4.556 -0.001 0.000 0.336 88 H C -1.491 173.938 175.328 0.169 0.000 1.306 88 H CA -1.120 54.827 56.048 -0.168 0.000 1.118 88 H CB 0.993 30.611 29.762 -0.240 0.000 1.856 88 H HN 0.200 nan 8.280 nan 0.000 0.538 89 S N 0.693 116.401 115.700 0.013 0.000 2.736 89 S HA 0.209 4.678 4.470 -0.001 0.000 0.285 89 S C -1.815 172.710 174.600 -0.125 0.000 1.163 89 S CA -0.671 57.582 58.200 0.088 0.000 1.025 89 S CB 0.193 63.621 63.200 0.381 0.000 1.030 89 S HN 0.840 nan 8.310 nan 0.000 0.486 90 H N 4.441 123.414 119.070 -0.162 0.000 2.864 90 H HA 0.421 4.976 4.556 -0.001 0.000 0.281 90 H C -0.119 174.821 175.328 -0.647 0.000 1.093 90 H CA 0.291 56.158 56.048 -0.302 0.000 1.453 90 H CB 0.240 29.877 29.762 -0.209 0.000 1.462 90 H HN 0.559 nan 8.280 nan 0.000 0.480 91 N N 5.491 123.538 118.700 -1.088 0.000 2.564 91 N HA 0.053 4.793 4.740 -0.001 0.000 0.248 91 N C -1.173 173.876 175.510 -0.769 0.000 0.986 91 N CA -0.617 51.666 53.050 -1.277 0.000 0.921 91 N CB 1.041 39.062 38.487 -0.777 0.000 1.136 91 N HN 0.652 nan 8.380 nan 0.000 0.509 92 D N 2.720 122.701 120.400 -0.698 0.000 2.371 92 D HA 0.102 4.742 4.640 -0.001 0.000 0.256 92 D C -2.062 174.286 176.300 0.080 0.000 1.193 92 D CA -0.936 52.937 54.000 -0.212 0.000 0.881 92 D CB 1.352 42.284 40.800 0.220 0.000 1.143 92 D HN 0.205 nan 8.370 nan 0.000 0.473 93 P HA 0.195 nan 4.420 nan 0.000 0.235 93 P C 0.039 177.531 177.300 0.321 0.000 1.765 93 P CA -0.037 63.071 63.100 0.013 0.000 1.034 93 P CB 0.185 31.765 31.700 -0.200 0.000 1.984 94 G N 0.550 109.717 108.800 0.611 0.000 2.907 94 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.686 94 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.686 94 G C -1.020 174.407 174.900 0.879 0.000 1.115 94 G CA -0.561 44.929 45.100 0.650 0.000 0.760 94 G HN 0.376 nan 8.290 nan 0.000 0.620 95 W N 1.873 123.512 121.300 0.564 0.000 4.511 95 W HA 0.187 4.847 4.660 -0.001 0.000 0.159 95 W C 1.713 178.410 176.519 0.297 0.000 3.471 95 W CA 1.290 58.933 57.345 0.497 0.000 1.173 95 W CB -0.899 28.935 29.460 0.623 0.000 2.090 95 W HN 0.978 nan 8.180 nan 0.000 0.393 96 I N 0.821 121.384 120.570 -0.012 0.000 3.783 96 I HA 0.281 4.451 4.170 -0.001 0.000 0.310 96 I C 0.393 176.365 176.117 -0.243 0.000 1.274 96 I CA 0.588 61.706 61.300 -0.304 0.000 1.294 96 I CB -0.050 37.633 38.000 -0.529 0.000 1.051 96 I HN -0.148 nan 8.210 nan 0.000 0.435 97 Q N 1.956 121.472 119.800 -0.473 0.000 2.458 97 Q HA 0.388 4.727 4.340 -0.001 0.000 0.282 97 Q C -0.206 175.572 176.000 -0.371 0.000 1.106 97 Q CA -0.349 55.111 55.803 -0.571 0.000 0.814 97 Q CB 2.230 30.290 28.738 -1.130 0.000 1.425 97 Q HN 0.342 nan 8.270 nan 0.000 0.437 98 T N -2.328 112.117 114.554 -0.182 0.000 2.766 98 T HA 0.173 4.523 4.350 -0.001 0.000 0.295 98 T C 1.102 175.927 174.700 0.208 0.000 1.024 98 T CA -0.466 61.614 62.100 -0.033 0.000 1.018 98 T CB 0.269 69.143 68.868 0.010 0.000 1.002 98 T HN 0.510 nan 8.240 nan 0.000 0.532 99 F N 1.226 121.273 119.950 0.161 0.000 2.063 99 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 99 F C 2.445 178.469 175.800 0.373 0.000 1.109 99 F CA 2.428 60.596 58.000 0.281 0.000 1.212 99 F CB -0.362 38.685 39.000 0.079 0.000 0.973 99 F HN 0.782 nan 8.300 nan 0.000 0.480 100 E N 0.350 120.814 120.200 0.440 0.000 2.106 100 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 100 E C 2.024 178.787 176.600 0.272 0.000 0.984 100 E CA 1.684 58.301 56.400 0.362 0.000 0.806 100 E CB -0.291 29.601 29.700 0.320 0.000 0.750 100 E HN 0.615 nan 8.360 nan 0.000 0.458 101 E N -0.992 119.318 120.200 0.183 0.000 2.051 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 101 E C 1.835 178.507 176.600 0.119 0.000 0.991 101 E CA 1.216 57.673 56.400 0.095 0.000 0.799 101 E CB -0.255 29.433 29.700 -0.021 0.000 0.748 101 E HN 0.340 nan 8.360 nan 0.000 0.449 102 Y N -0.538 119.824 120.300 0.103 0.000 2.181 102 Y HA -0.251 4.298 4.550 -0.001 0.000 0.288 102 Y C 2.196 178.118 175.900 0.037 0.000 1.146 102 Y CA 1.234 59.348 58.100 0.022 0.000 1.164 102 Y CB -0.706 37.824 38.460 0.117 0.000 0.982 102 Y HN 0.191 nan 8.280 nan 0.000 0.515 103 Y N 0.841 121.235 120.300 0.157 0.000 2.128 103 Y HA -0.287 4.263 4.550 -0.001 0.000 0.284 103 Y C 2.287 178.221 175.900 0.055 0.000 1.154 103 Y CA 1.909 60.036 58.100 0.044 0.000 1.149 103 Y CB -0.345 38.129 38.460 0.025 0.000 0.976 103 Y HN 0.056 nan 8.280 nan 0.000 0.505 104 Q N -1.047 118.777 119.800 0.039 0.000 2.123 104 Q HA -0.197 4.142 4.340 -0.001 0.000 0.199 104 Q C 2.289 178.306 176.000 0.029 0.000 0.966 104 Q CA 1.729 57.514 55.803 -0.030 0.000 0.845 104 Q CB -0.642 28.171 28.738 0.124 0.000 0.907 104 Q HN 0.662 nan 8.270 nan 0.000 0.439 105 H N -0.102 118.988 119.070 0.032 0.000 2.415 105 H HA -0.000 4.555 4.556 -0.001 0.000 0.297 105 H C 0.568 175.999 175.328 0.172 0.000 1.048 105 H CA 1.070 57.171 56.048 0.089 0.000 1.365 105 H CB 0.895 30.672 29.762 0.025 0.000 1.421 105 H HN 0.215 nan 8.280 nan 0.000 0.533 106 D N -1.324 119.179 120.400 0.172 0.000 3.208 106 D HA 0.014 4.653 4.640 -0.001 0.000 0.281 106 D C 1.770 178.126 176.300 0.094 0.000 1.328 106 D CA 0.413 54.508 54.000 0.158 0.000 1.102 106 D CB 0.120 40.968 40.800 0.080 0.000 1.267 106 D HN 0.159 nan 8.370 nan 0.000 0.405 107 T N 2.439 116.981 114.554 -0.020 0.000 2.821 107 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 107 T C 1.951 176.493 174.700 -0.264 0.000 1.046 107 T CA 1.371 63.417 62.100 -0.090 0.000 1.139 107 T CB -0.069 68.595 68.868 -0.340 0.000 0.871 107 T HN 0.245 nan 8.240 nan 0.000 0.454 108 K N 0.809 120.867 120.400 -0.569 0.000 2.147 108 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 108 K C 1.941 178.279 176.600 -0.436 0.000 1.049 108 K CA 1.426 57.348 56.287 -0.609 0.000 0.936 108 K CB -0.390 31.520 32.500 -0.983 0.000 0.722 108 K HN 0.395 nan 8.250 nan 0.000 0.446 109 H N 1.079 120.058 119.070 -0.151 0.000 2.363 109 H HA 0.032 4.587 4.556 -0.001 0.000 0.301 109 H C 2.319 177.635 175.328 -0.020 0.000 1.074 109 H CA 1.478 57.488 56.048 -0.063 0.000 1.354 109 H CB -0.208 29.524 29.762 -0.050 0.000 1.397 109 H HN 0.192 nan 8.280 nan 0.000 0.516 110 I N 0.760 121.401 120.570 0.120 0.000 2.127 110 I HA -0.284 3.886 4.170 -0.001 0.000 0.241 110 I C 2.488 178.619 176.117 0.024 0.000 1.075 110 I CA 1.184 62.605 61.300 0.203 0.000 1.334 110 I CB -0.297 37.896 38.000 0.321 0.000 1.040 110 I HN 0.092 nan 8.210 nan 0.000 0.405 111 L N -0.396 120.626 121.223 -0.335 0.000 2.093 111 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 111 L C 2.683 179.195 176.870 -0.597 0.000 1.085 111 L CA 1.013 55.410 54.840 -0.738 0.000 0.755 111 L CB -0.474 40.592 42.059 -1.655 0.000 0.904 111 L HN 0.169 nan 8.230 nan 0.000 0.435 112 S N 0.116 115.588 115.700 -0.380 0.000 2.356 112 S HA -0.143 4.326 4.470 -0.001 0.000 0.223 112 S C 1.700 176.256 174.600 -0.075 0.000 1.032 112 S CA 1.400 59.606 58.200 0.010 0.000 1.005 112 S CB -0.276 62.989 63.200 0.109 0.000 0.867 112 S HN 0.459 nan 8.310 nan 0.000 0.449 113 N N 1.599 120.242 118.700 -0.095 0.000 2.354 113 N HA 0.125 4.864 4.740 -0.001 0.000 0.179 113 N C 1.706 176.834 175.510 -0.638 0.000 1.021 113 N CA 0.955 53.869 53.050 -0.226 0.000 0.887 113 N CB -0.532 37.931 38.487 -0.040 0.000 0.974 113 N HN 0.392 nan 8.380 nan 0.000 0.437 114 A N 1.146 123.664 122.820 -0.502 0.000 1.902 114 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 114 A C 2.186 179.474 177.584 -0.494 0.000 1.181 114 A CA 0.926 52.507 52.037 -0.760 0.000 0.623 114 A CB -0.687 18.149 19.000 -0.273 0.000 0.818 114 A HN 0.218 nan 8.150 nan 0.000 0.443 115 L N 0.163 121.243 121.223 -0.239 0.000 2.012 115 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 115 L C 2.485 179.278 176.870 -0.127 0.000 1.073 115 L CA 2.584 57.367 54.840 -0.097 0.000 0.748 115 L CB -0.691 41.380 42.059 0.021 0.000 0.891 115 L HN 0.514 nan 8.230 nan 0.000 0.431 116 R N -1.777 118.617 120.500 -0.176 0.000 2.070 116 R HA -0.245 4.094 4.340 -0.001 0.000 0.233 116 R C 2.417 178.614 176.300 -0.173 0.000 1.137 116 R CA 1.945 57.962 56.100 -0.140 0.000 0.945 116 R CB -0.574 29.650 30.300 -0.126 0.000 0.845 116 R HN 0.539 nan 8.270 nan 0.000 0.430 117 H N 0.157 118.935 119.070 -0.486 0.000 2.357 117 H HA 0.008 4.563 4.556 -0.001 0.000 0.301 117 H C 2.044 177.152 175.328 -0.366 0.000 1.082 117 H CA 1.965 57.706 56.048 -0.512 0.000 1.342 117 H CB -0.015 29.154 29.762 -0.989 0.000 1.389 117 H HN 0.149 nan 8.280 nan 0.000 0.511 118 L N -0.668 120.369 121.223 -0.310 0.000 2.056 118 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 118 L C 2.608 179.419 176.870 -0.097 0.000 1.078 118 L CA 1.485 56.224 54.840 -0.169 0.000 0.749 118 L CB -0.680 41.303 42.059 -0.126 0.000 0.901 118 L HN 0.503 nan 8.230 nan 0.000 0.433 119 H N 0.618 119.600 119.070 -0.146 0.000 2.319 119 H HA -0.220 4.336 4.556 -0.001 0.000 0.297 119 H C 1.291 176.552 175.328 -0.111 0.000 1.097 119 H CA 2.197 58.185 56.048 -0.099 0.000 1.285 119 H CB 0.179 29.891 29.762 -0.082 0.000 1.368 119 H HN 0.328 nan 8.280 nan 0.000 0.495 120 D N 0.289 120.605 120.400 -0.140 0.000 2.347 120 D HA 0.004 4.643 4.640 -0.001 0.000 0.213 120 D C -0.022 176.148 176.300 -0.217 0.000 0.985 120 D CA 0.456 54.344 54.000 -0.187 0.000 0.879 120 D CB 0.020 40.732 40.800 -0.147 0.000 0.919 120 D HN 0.325 nan 8.370 nan 0.000 0.526 121 N N 0.647 119.216 118.700 -0.218 0.000 2.716 121 N HA 0.142 4.881 4.740 -0.001 0.000 0.253 121 N C -2.189 173.278 175.510 -0.071 0.000 1.170 121 N CA -1.052 51.913 53.050 -0.142 0.000 0.807 121 N CB 2.323 40.709 38.487 -0.169 0.000 1.183 121 N HN -0.123 nan 8.380 nan 0.000 0.524 122 P HA -0.103 nan 4.420 nan 0.000 0.221 122 P C 0.950 178.265 177.300 0.025 0.000 1.145 122 P CA 1.213 64.292 63.100 -0.035 0.000 0.795 122 P CB 0.545 32.221 31.700 -0.041 0.000 0.775 123 E N -1.632 118.614 120.200 0.077 0.000 2.442 123 E HA 0.049 4.398 4.350 -0.001 0.000 0.195 123 E C 0.848 177.584 176.600 0.228 0.000 1.030 123 E CA 0.084 56.580 56.400 0.161 0.000 0.869 123 E CB -0.405 29.422 29.700 0.211 0.000 0.857 123 E HN 0.260 nan 8.360 nan 0.000 0.505 124 M N 1.564 121.232 119.600 0.112 0.000 2.243 124 M HA 0.093 4.572 4.480 -0.001 0.000 0.341 124 M C -0.345 175.938 176.300 -0.028 0.000 1.130 124 M CA 0.244 55.511 55.300 -0.055 0.000 1.162 124 M CB 0.473 33.037 32.600 -0.061 0.000 1.497 124 M HN -0.364 nan 8.290 nan 0.000 0.456 125 K N 3.170 123.517 120.400 -0.089 0.000 2.444 125 K HA 0.654 4.973 4.320 -0.001 0.000 0.252 125 K C -1.732 174.908 176.600 0.065 0.000 0.993 125 K CA -0.462 55.833 56.287 0.013 0.000 0.847 125 K CB 2.089 34.622 32.500 0.055 0.000 1.340 125 K HN 0.675 nan 8.250 nan 0.000 0.446 126 F N 1.392 121.260 119.950 -0.136 0.000 2.672 126 F HA 0.453 4.980 4.527 -0.001 0.000 0.311 126 F C -1.417 174.278 175.800 -0.174 0.000 1.113 126 F CA -1.271 56.635 58.000 -0.156 0.000 0.996 126 F CB 1.036 40.021 39.000 -0.025 0.000 1.286 126 F HN 0.459 nan 8.300 nan 0.000 0.441 127 I N 1.788 122.029 120.570 -0.548 0.000 2.648 127 I HA 0.603 4.772 4.170 -0.001 0.000 0.304 127 I C -1.713 173.982 176.117 -0.703 0.000 1.009 127 I CA -0.610 60.330 61.300 -0.601 0.000 1.114 127 I CB 2.501 40.088 38.000 -0.688 0.000 1.293 127 I HN 0.695 nan 8.210 nan 0.000 0.449 128 W N 4.491 125.401 121.300 -0.649 0.000 2.957 128 W HA 0.627 5.286 4.660 -0.001 0.000 0.336 128 W C -0.716 175.723 176.519 -0.133 0.000 1.087 128 W CA -0.537 56.559 57.345 -0.416 0.000 1.235 128 W CB 2.672 31.936 29.460 -0.327 0.000 1.399 128 W HN 0.795 nan 8.180 nan 0.000 0.480 129 A N 3.484 125.944 122.820 -0.600 0.000 1.963 129 A HA 0.147 4.466 4.320 -0.001 0.000 0.207 129 A C 0.016 177.556 177.584 -0.074 0.000 1.243 129 A CA 0.551 52.470 52.037 -0.197 0.000 0.728 129 A CB -0.017 18.920 19.000 -0.106 0.000 0.895 129 A HN 0.506 nan 8.150 nan 0.000 0.467 130 E N 1.028 121.072 120.200 -0.260 0.000 2.001 130 E HA 0.307 4.657 4.350 -0.001 0.000 0.279 130 E C 0.442 177.207 176.600 0.276 0.000 1.045 130 E CA -0.282 56.134 56.400 0.026 0.000 0.833 130 E CB 0.745 30.448 29.700 0.005 0.000 1.077 130 E HN 0.283 nan 8.360 nan 0.000 0.397 131 I N 1.473 122.107 120.570 0.108 0.000 2.676 131 I HA -0.201 3.969 4.170 -0.001 0.000 0.259 131 I C 1.985 177.780 176.117 -0.537 0.000 1.194 131 I CA 0.928 62.220 61.300 -0.012 0.000 1.473 131 I CB -1.381 36.663 38.000 0.074 0.000 1.096 131 I HN 0.417 nan 8.210 nan 0.000 0.443 132 S N 1.146 116.223 115.700 -1.039 0.000 2.365 132 S HA -0.268 4.201 4.470 -0.001 0.000 0.225 132 S C 2.142 176.453 174.600 -0.481 0.000 1.039 132 S CA 1.316 58.514 58.200 -1.669 0.000 1.033 132 S CB -1.034 61.214 63.200 -1.587 0.000 0.887 132 S HN 0.367 nan 8.310 nan 0.000 0.447 133 Y N 0.574 120.892 120.300 0.030 0.000 2.200 133 Y HA 0.136 4.686 4.550 -0.001 0.000 0.290 133 Y C 2.219 178.178 175.900 0.099 0.000 1.137 133 Y CA 0.409 58.621 58.100 0.186 0.000 1.163 133 Y CB -0.912 37.755 38.460 0.344 0.000 0.988 133 Y HN 0.337 nan 8.280 nan 0.000 0.518 134 F N -0.003 120.021 119.950 0.122 0.000 2.146 134 F HA -0.154 4.373 4.527 -0.001 0.000 0.298 134 F C 2.340 177.970 175.800 -0.283 0.000 1.096 134 F CA 1.229 59.177 58.000 -0.088 0.000 1.275 134 F CB -0.471 38.468 39.000 -0.103 0.000 1.008 134 F HN -0.019 nan 8.300 nan 0.000 0.480 135 A N 0.222 122.692 122.820 -0.583 0.000 1.902 135 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 135 A C 2.155 179.623 177.584 -0.193 0.000 1.181 135 A CA 1.782 53.312 52.037 -0.846 0.000 0.623 135 A CB -0.727 17.654 19.000 -1.032 0.000 0.818 135 A HN 0.368 nan 8.150 nan 0.000 0.443 136 R N -0.581 119.851 120.500 -0.113 0.000 2.080 136 R HA -0.149 4.191 4.340 -0.001 0.000 0.236 136 R C 1.768 178.033 176.300 -0.059 0.000 1.137 136 R CA 2.167 58.219 56.100 -0.079 0.000 0.943 136 R CB -1.285 28.881 30.300 -0.223 0.000 0.846 136 R HN 0.466 nan 8.270 nan 0.000 0.431 137 F N 0.126 119.988 119.950 -0.147 0.000 2.069 137 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 137 F C 2.087 177.800 175.800 -0.145 0.000 1.113 137 F CA 2.062 60.037 58.000 -0.041 0.000 1.214 137 F CB -0.953 37.959 39.000 -0.148 0.000 0.978 137 F HN 0.206 nan 8.300 nan 0.000 0.474 138 Y N 0.215 120.280 120.300 -0.393 0.000 2.165 138 Y HA -0.292 4.257 4.550 -0.001 0.000 0.286 138 Y C 2.674 178.378 175.900 -0.327 0.000 1.155 138 Y CA 2.351 60.209 58.100 -0.404 0.000 1.164 138 Y CB -0.783 37.563 38.460 -0.190 0.000 0.978 138 Y HN 0.146 nan 8.280 nan 0.000 0.513 139 H N -0.715 118.354 119.070 -0.002 0.000 2.524 139 H HA -0.058 4.497 4.556 -0.001 0.000 0.282 139 H C 0.995 176.218 175.328 -0.175 0.000 1.016 139 H CA 1.399 57.412 56.048 -0.058 0.000 1.270 139 H CB -0.069 29.729 29.762 0.059 0.000 1.394 139 H HN 0.464 nan 8.280 nan 0.000 0.568 140 D N 0.027 120.342 120.400 -0.142 0.000 2.349 140 D HA 0.073 4.713 4.640 -0.001 0.000 0.215 140 D C 0.582 176.705 176.300 -0.296 0.000 1.016 140 D CA 0.053 53.949 54.000 -0.173 0.000 0.870 140 D CB 0.327 41.061 40.800 -0.110 0.000 0.917 140 D HN 0.193 nan 8.370 nan 0.000 0.524 141 L N 0.540 121.488 121.223 -0.457 0.000 2.417 141 L HA 0.319 4.659 4.340 -0.001 0.000 0.268 141 L C 1.394 178.083 176.870 -0.302 0.000 1.158 141 L CA -0.611 53.960 54.840 -0.448 0.000 0.819 141 L CB 0.837 42.558 42.059 -0.565 0.000 1.112 141 L HN -0.031 nan 8.230 nan 0.000 0.458 142 G N 0.717 109.387 108.800 -0.217 0.000 2.594 142 G HA2 0.029 3.989 3.960 -0.001 0.000 0.243 142 G HA3 0.029 3.989 3.960 -0.001 0.000 0.243 142 G C 0.647 175.456 174.900 -0.151 0.000 1.229 142 G CA -0.291 44.719 45.100 -0.150 0.000 0.843 142 G HN 0.803 nan 8.290 nan 0.000 0.578 143 E N 0.210 120.349 120.200 -0.102 0.000 2.118 143 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 143 E C 2.273 178.838 176.600 -0.058 0.000 0.992 143 E CA 1.796 58.152 56.400 -0.074 0.000 0.804 143 E CB -0.175 29.505 29.700 -0.033 0.000 0.741 143 E HN 0.675 nan 8.360 nan 0.000 0.458 144 N N -0.041 118.625 118.700 -0.057 0.000 2.104 144 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 144 N C 1.502 176.978 175.510 -0.057 0.000 1.024 144 N CA 1.319 54.340 53.050 -0.048 0.000 0.853 144 N CB -0.049 38.408 38.487 -0.050 0.000 1.008 144 N HN 0.028 nan 8.380 nan 0.000 0.424 145 K N 1.040 121.389 120.400 -0.085 0.000 2.097 145 K HA -0.028 4.291 4.320 -0.001 0.000 0.205 145 K C 2.084 178.651 176.600 -0.055 0.000 1.050 145 K CA 0.710 56.947 56.287 -0.084 0.000 0.938 145 K CB -0.208 32.219 32.500 -0.121 0.000 0.718 145 K HN 0.345 nan 8.250 nan 0.000 0.442 146 K N 0.880 121.213 120.400 -0.112 0.000 2.044 146 K HA -0.107 4.213 4.320 -0.001 0.000 0.210 146 K C 2.286 178.950 176.600 0.108 0.000 1.049 146 K CA 1.196 57.445 56.287 -0.063 0.000 0.927 146 K CB -0.229 32.156 32.500 -0.192 0.000 0.713 146 K HN 0.055 nan 8.250 nan 0.000 0.443 147 L N 0.963 122.222 121.223 0.061 0.000 2.046 147 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 147 L C 2.592 179.518 176.870 0.092 0.000 1.077 147 L CA 1.320 56.210 54.840 0.083 0.000 0.747 147 L CB -0.387 41.701 42.059 0.048 0.000 0.896 147 L HN 0.268 nan 8.230 nan 0.000 0.432 148 Q N -0.923 118.912 119.800 0.059 0.000 2.084 148 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 148 Q C 2.201 178.277 176.000 0.126 0.000 0.978 148 Q CA 1.697 57.539 55.803 0.064 0.000 0.844 148 Q CB -0.176 28.543 28.738 -0.033 0.000 0.898 148 Q HN 0.354 nan 8.270 nan 0.000 0.426 149 M N 1.191 120.890 119.600 0.165 0.000 2.086 149 M HA -0.170 4.310 4.480 -0.001 0.000 0.261 149 M C 1.616 178.085 176.300 0.282 0.000 1.067 149 M CA 1.796 57.257 55.300 0.267 0.000 1.116 149 M CB -0.005 32.831 32.600 0.393 0.000 1.348 149 M HN -0.093 nan 8.290 nan 0.000 0.407 150 K N -1.004 119.560 120.400 0.273 0.000 2.103 150 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 150 K C 2.292 178.988 176.600 0.160 0.000 1.048 150 K CA 1.622 58.046 56.287 0.228 0.000 0.930 150 K CB -0.480 32.140 32.500 0.200 0.000 0.716 150 K HN 0.399 nan 8.250 nan 0.000 0.444 151 S N 1.433 117.216 115.700 0.138 0.000 2.355 151 S HA -0.102 4.368 4.470 -0.001 0.000 0.222 151 S C 1.965 176.622 174.600 0.096 0.000 1.031 151 S CA 1.251 59.515 58.200 0.106 0.000 0.993 151 S CB -0.246 63.017 63.200 0.105 0.000 0.859 151 S HN 0.401 nan 8.310 nan 0.000 0.453 152 I N -0.641 119.996 120.570 0.110 0.000 2.614 152 I HA 0.013 4.182 4.170 -0.001 0.000 0.258 152 I C 1.847 178.000 176.117 0.060 0.000 1.189 152 I CA 0.819 62.166 61.300 0.078 0.000 1.462 152 I CB -0.384 37.662 38.000 0.077 0.000 1.092 152 I HN 0.107 nan 8.210 nan 0.000 0.442 153 V N 1.516 121.487 119.914 0.094 0.000 2.346 153 V HA -0.198 3.921 4.120 -0.001 0.000 0.244 153 V C 2.716 178.850 176.094 0.066 0.000 1.037 153 V CA 2.071 64.418 62.300 0.079 0.000 1.029 153 V CB -0.751 31.184 31.823 0.186 0.000 0.663 153 V HN 0.429 nan 8.190 nan 0.000 0.454 154 K N 1.448 121.894 120.400 0.077 0.000 2.103 154 K HA -0.241 4.079 4.320 -0.001 0.000 0.207 154 K C 1.813 178.433 176.600 0.033 0.000 1.048 154 K CA 1.931 58.249 56.287 0.053 0.000 0.930 154 K CB -0.242 32.291 32.500 0.055 0.000 0.716 154 K HN 0.666 nan 8.250 nan 0.000 0.444 155 N N -0.490 118.229 118.700 0.032 0.000 2.461 155 N HA -0.021 4.719 4.740 -0.001 0.000 0.188 155 N C 0.879 176.394 175.510 0.008 0.000 1.134 155 N CA 1.193 54.254 53.050 0.018 0.000 0.878 155 N CB 0.293 38.790 38.487 0.018 0.000 0.972 155 N HN 0.342 nan 8.380 nan 0.000 0.456 156 G N -0.227 108.575 108.800 0.004 0.000 2.159 156 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.256 156 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.256 156 G C 0.777 175.665 174.900 -0.020 0.000 0.977 156 G CA 0.494 45.585 45.100 -0.015 0.000 0.652 156 G HN 0.467 nan 8.290 nan 0.000 0.531 157 Q N -1.327 118.468 119.800 -0.008 0.000 2.083 157 Q HA 0.194 4.533 4.340 -0.001 0.000 0.198 157 Q C 1.214 177.208 176.000 -0.011 0.000 0.969 157 Q CA 1.085 56.887 55.803 -0.001 0.000 0.838 157 Q CB 0.182 28.924 28.738 0.006 0.000 0.900 157 Q HN 0.592 nan 8.270 nan 0.000 0.436 158 L N 1.181 122.380 121.223 -0.040 0.000 2.272 158 L HA 0.297 4.636 4.340 -0.001 0.000 0.289 158 L C -0.945 175.759 176.870 -0.276 0.000 1.032 158 L CA -0.079 54.692 54.840 -0.115 0.000 0.810 158 L CB 1.467 43.469 42.059 -0.095 0.000 1.205 158 L HN -0.072 nan 8.230 nan 0.000 0.422 159 E N 4.216 124.210 120.200 -0.343 0.000 2.210 159 E HA 0.364 4.714 4.350 -0.001 0.000 0.266 159 E C -1.472 174.851 176.600 -0.462 0.000 0.883 159 E CA -0.749 55.451 56.400 -0.335 0.000 0.761 159 E CB 1.010 30.594 29.700 -0.193 0.000 1.156 159 E HN 0.499 nan 8.360 nan 0.000 0.412 160 F N 3.134 123.040 119.950 -0.072 0.000 2.412 160 F HA 0.222 4.748 4.527 -0.001 0.000 0.348 160 F C 0.289 176.061 175.800 -0.048 0.000 1.102 160 F CA -0.492 57.477 58.000 -0.051 0.000 1.196 160 F CB 1.240 40.221 39.000 -0.031 0.000 1.144 160 F HN 0.186 nan 8.300 nan 0.000 0.541 161 V N 0.050 120.026 119.914 0.104 0.000 2.495 161 V HA 0.661 4.780 4.120 -0.001 0.000 0.298 161 V C 0.220 176.442 176.094 0.214 0.000 1.031 161 V CA -0.495 61.862 62.300 0.095 0.000 0.871 161 V CB 0.911 32.678 31.823 -0.093 0.000 0.988 161 V HN 0.978 nan 8.190 nan 0.000 0.432 162 T N 3.277 118.032 114.554 0.335 0.000 13.132 162 T HA -0.300 4.049 4.350 -0.001 0.000 0.419 162 T C 1.742 176.673 174.700 0.386 0.000 1.442 162 T CA 2.813 65.160 62.100 0.411 0.000 2.366 162 T CB -1.702 67.310 68.868 0.240 0.000 2.813 162 T HN 2.790 nan 8.240 nan 0.000 0.650 163 G N 1.902 110.867 108.800 0.275 0.000 2.136 163 G HA2 0.122 4.081 3.960 -0.001 0.000 0.242 163 G HA3 0.122 4.081 3.960 -0.001 0.000 0.242 163 G C 0.309 175.353 174.900 0.239 0.000 0.989 163 G CA 0.579 45.819 45.100 0.233 0.000 0.682 163 G HN 1.569 nan 8.290 nan 0.000 0.522 164 G N -1.607 107.333 108.800 0.233 0.000 2.572 164 G HA2 0.361 4.321 3.960 -0.001 0.000 0.261 164 G HA3 0.361 4.321 3.960 -0.001 0.000 0.261 164 G C 0.990 176.069 174.900 0.299 0.000 1.197 164 G CA 0.188 45.437 45.100 0.248 0.000 0.870 164 G HN 0.346 nan 8.290 nan 0.000 0.548 165 W N 0.409 121.758 121.300 0.081 0.000 2.342 165 W HA -0.051 4.609 4.660 -0.001 0.000 0.297 165 W C 0.712 177.266 176.519 0.058 0.000 1.213 165 W CA 1.915 59.294 57.345 0.056 0.000 1.251 165 W CB 0.233 29.710 29.460 0.029 0.000 1.136 165 W HN 0.403 nan 8.180 nan 0.000 0.526 166 V N -2.674 117.366 119.914 0.210 0.000 3.105 166 V HA 0.499 4.618 4.120 -0.001 0.000 0.311 166 V C -0.428 175.754 176.094 0.147 0.000 1.287 166 V CA -1.280 61.087 62.300 0.112 0.000 1.066 166 V CB 1.732 33.639 31.823 0.141 0.000 1.105 166 V HN -0.051 nan 8.190 nan 0.000 0.462 167 M N 3.922 123.633 119.600 0.186 0.000 2.152 167 M HA 0.507 4.987 4.480 -0.001 0.000 0.354 167 M C -2.679 173.779 176.300 0.264 0.000 1.173 167 M CA -1.892 53.537 55.300 0.215 0.000 1.110 167 M CB 1.335 34.088 32.600 0.255 0.000 1.366 167 M HN 0.630 nan 8.290 nan 0.000 0.415 168 P HA 0.128 nan 4.420 nan 0.000 0.276 168 P C -0.946 176.367 177.300 0.022 0.000 1.244 168 P CA -0.211 62.943 63.100 0.089 0.000 0.801 168 P CB 0.554 32.293 31.700 0.065 0.000 1.006 169 D N 0.666 121.037 120.400 -0.047 0.000 2.478 169 D HA -0.088 4.552 4.640 -0.001 0.000 0.234 169 D C 0.709 177.022 176.300 0.022 0.000 1.154 169 D CA 0.747 54.700 54.000 -0.078 0.000 0.874 169 D CB 0.446 41.208 40.800 -0.063 0.000 1.198 169 D HN 0.310 nan 8.370 nan 0.000 0.455 170 E N 1.425 121.683 120.200 0.097 0.000 2.511 170 E HA 0.186 4.536 4.350 -0.001 0.000 0.209 170 E C 0.921 177.695 176.600 0.290 0.000 0.986 170 E CA 0.057 56.580 56.400 0.206 0.000 0.974 170 E CB 0.656 30.497 29.700 0.235 0.000 1.030 170 E HN 0.471 nan 8.360 nan 0.000 0.490 171 A N 1.500 124.443 122.820 0.204 0.000 1.887 171 A HA 0.017 4.336 4.320 -0.001 0.000 0.210 171 A C 1.827 179.299 177.584 -0.188 0.000 1.221 171 A CA 0.608 52.536 52.037 -0.180 0.000 0.635 171 A CB 0.019 18.894 19.000 -0.209 0.000 0.881 171 A HN 0.032 nan 8.150 nan 0.000 0.456 172 N N 0.657 119.336 118.700 -0.036 0.000 2.392 172 N HA 0.009 4.748 4.740 -0.001 0.000 0.177 172 N C 0.449 175.948 175.510 -0.018 0.000 1.066 172 N CA 0.758 53.782 53.050 -0.043 0.000 0.895 172 N CB 0.046 38.552 38.487 0.031 0.000 0.988 172 N HN 0.499 nan 8.380 nan 0.000 0.457 173 S N 0.800 116.500 115.700 0.000 0.000 2.562 173 S HA 0.032 4.502 4.470 -0.001 0.000 0.281 173 S C 0.039 174.653 174.600 0.022 0.000 1.333 173 S CA -0.563 57.649 58.200 0.019 0.000 1.052 173 S CB 1.107 64.321 63.200 0.024 0.000 0.884 173 S HN 0.204 nan 8.310 nan 0.000 0.506 174 H N 3.431 122.479 119.070 -0.037 0.000 2.652 174 H HA 0.034 4.590 4.556 -0.001 0.000 0.349 174 H C 1.280 176.581 175.328 -0.046 0.000 1.099 174 H CA -0.184 55.828 56.048 -0.061 0.000 1.417 174 H CB 0.517 30.192 29.762 -0.145 0.000 1.457 174 H HN 1.030 nan 8.280 nan 0.000 0.568 175 W N 5.835 127.030 121.300 -0.175 0.000 2.325 175 W HA -0.188 4.472 4.660 -0.001 0.000 0.299 175 W C 1.131 177.711 176.519 0.101 0.000 1.215 175 W CA 0.485 57.802 57.345 -0.046 0.000 1.244 175 W CB -0.501 28.867 29.460 -0.153 0.000 1.140 175 W HN 0.539 nan 8.180 nan 0.000 0.523 176 R N 0.774 120.903 120.500 -0.618 0.000 2.096 176 R HA -0.140 4.200 4.340 -0.001 0.000 0.235 176 R C 2.007 178.149 176.300 -0.263 0.000 1.127 176 R CA 1.922 57.570 56.100 -0.752 0.000 0.968 176 R CB -0.416 29.382 30.300 -0.836 0.000 0.861 176 R HN 0.164 nan 8.270 nan 0.000 0.440 177 N N -0.227 118.400 118.700 -0.122 0.000 2.376 177 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 177 N C 1.716 177.231 175.510 0.008 0.000 1.024 177 N CA 0.657 53.676 53.050 -0.052 0.000 0.893 177 N CB 0.044 38.519 38.487 -0.020 0.000 0.980 177 N HN -0.000 nan 8.380 nan 0.000 0.439 178 V N 1.446 121.387 119.914 0.046 0.000 2.343 178 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 178 V C 2.331 178.471 176.094 0.076 0.000 1.051 178 V CA 1.076 63.421 62.300 0.075 0.000 1.036 178 V CB -0.479 31.407 31.823 0.104 0.000 0.654 178 V HN 0.190 nan 8.190 nan 0.000 0.451 179 L N -0.294 120.984 121.223 0.091 0.000 2.056 179 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 179 L C 2.173 179.057 176.870 0.023 0.000 1.078 179 L CA 1.789 56.676 54.840 0.079 0.000 0.749 179 L CB -0.691 41.450 42.059 0.137 0.000 0.901 179 L HN 0.282 nan 8.230 nan 0.000 0.433 180 L N -0.097 121.118 121.223 -0.013 0.000 2.012 180 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 180 L C 2.580 179.443 176.870 -0.012 0.000 1.073 180 L CA 2.344 57.165 54.840 -0.032 0.000 0.748 180 L CB -0.743 41.279 42.059 -0.063 0.000 0.891 180 L HN 0.679 nan 8.230 nan 0.000 0.431 181 Q N -1.088 118.727 119.800 0.025 0.000 2.172 181 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 181 Q C 2.022 178.105 176.000 0.139 0.000 0.964 181 Q CA 1.945 57.796 55.803 0.080 0.000 0.855 181 Q CB -1.129 27.693 28.738 0.139 0.000 0.918 181 Q HN 0.458 nan 8.270 nan 0.000 0.444 182 L N 0.926 122.217 121.223 0.113 0.000 2.017 182 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 182 L C 1.939 178.891 176.870 0.136 0.000 1.073 182 L CA 2.485 57.406 54.840 0.134 0.000 0.745 182 L CB -1.040 41.077 42.059 0.096 0.000 0.894 182 L HN 0.340 nan 8.230 nan 0.000 0.432 183 T N -0.970 113.633 114.554 0.082 0.000 2.788 183 T HA -0.191 4.158 4.350 -0.001 0.000 0.268 183 T C 1.727 176.480 174.700 0.088 0.000 1.044 183 T CA 1.460 63.602 62.100 0.069 0.000 1.139 183 T CB -0.183 68.698 68.868 0.022 0.000 0.867 183 T HN 0.339 nan 8.240 nan 0.000 0.454 184 E N 0.988 121.214 120.200 0.043 0.000 2.051 184 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 184 E C 2.367 179.084 176.600 0.195 0.000 0.991 184 E CA 1.540 57.921 56.400 -0.032 0.000 0.799 184 E CB -0.879 28.620 29.700 -0.336 0.000 0.748 184 E HN 0.443 nan 8.360 nan 0.000 0.449 185 G N -0.109 108.904 108.800 0.354 0.000 2.402 185 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 185 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 185 G C 1.502 176.619 174.900 0.361 0.000 1.162 185 G CA 0.702 46.096 45.100 0.490 0.000 0.777 185 G HN 0.265 nan 8.290 nan 0.000 0.539 186 Q N -0.237 119.714 119.800 0.251 0.000 2.172 186 Q HA -0.049 4.290 4.340 -0.001 0.000 0.200 186 Q C 2.810 178.906 176.000 0.160 0.000 0.964 186 Q CA 1.383 57.295 55.803 0.182 0.000 0.855 186 Q CB -0.178 28.651 28.738 0.150 0.000 0.918 186 Q HN 0.408 nan 8.270 nan 0.000 0.444 187 T N 0.217 114.875 114.554 0.173 0.000 2.746 187 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 187 T C 1.086 175.880 174.700 0.156 0.000 1.039 187 T CA 1.081 63.258 62.100 0.129 0.000 1.142 187 T CB -0.367 68.572 68.868 0.119 0.000 0.866 187 T HN 0.468 nan 8.240 nan 0.000 0.444 188 W N 1.566 122.957 121.300 0.151 0.000 2.335 188 W HA -0.055 4.604 4.660 -0.001 0.000 0.311 188 W C 1.807 178.431 176.519 0.175 0.000 1.213 188 W CA 0.950 58.459 57.345 0.273 0.000 1.274 188 W CB -0.430 29.264 29.460 0.391 0.000 1.148 188 W HN 0.146 nan 8.180 nan 0.000 0.498 189 L N 0.583 122.012 121.223 0.343 0.000 2.046 189 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 189 L C 2.608 179.407 176.870 -0.117 0.000 1.077 189 L CA 1.846 56.721 54.840 0.057 0.000 0.747 189 L CB -0.927 41.111 42.059 -0.034 0.000 0.896 189 L HN -0.011 nan 8.230 nan 0.000 0.432 190 K N 0.029 120.379 120.400 -0.083 0.000 2.057 190 K HA -0.261 4.058 4.320 -0.001 0.000 0.207 190 K C 2.191 178.650 176.600 -0.236 0.000 1.049 190 K CA 1.598 57.813 56.287 -0.120 0.000 0.931 190 K CB -0.030 32.426 32.500 -0.073 0.000 0.714 190 K HN 0.254 nan 8.250 nan 0.000 0.440 191 Q N -0.821 118.760 119.800 -0.366 0.000 2.046 191 Q HA -0.146 4.193 4.340 -0.001 0.000 0.200 191 Q C 1.483 176.984 176.000 -0.832 0.000 0.975 191 Q CA 1.756 57.172 55.803 -0.644 0.000 0.836 191 Q CB 0.041 28.235 28.738 -0.906 0.000 0.896 191 Q HN 0.313 nan 8.270 nan 0.000 0.428 192 F N -1.407 118.153 119.950 -0.651 0.000 2.505 192 F HA 0.119 4.645 4.527 -0.001 0.000 0.289 192 F C 1.627 177.135 175.800 -0.486 0.000 1.101 192 F CA 0.279 57.823 58.000 -0.760 0.000 1.446 192 F CB 0.397 38.434 39.000 -1.605 0.000 1.123 192 F HN 0.098 nan 8.300 nan 0.000 0.564 193 M N -0.977 118.481 119.600 -0.237 0.000 2.313 193 M HA 0.238 4.717 4.480 -0.001 0.000 0.273 193 M C 0.260 176.547 176.300 -0.022 0.000 1.049 193 M CA 0.146 55.419 55.300 -0.046 0.000 1.004 193 M CB -1.117 31.495 32.600 0.019 0.000 1.461 193 M HN 0.097 nan 8.290 nan 0.000 0.514 194 N N 2.006 120.655 118.700 -0.085 0.000 2.727 194 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 194 N C -0.973 174.522 175.510 -0.025 0.000 1.048 194 N CA 0.740 53.755 53.050 -0.059 0.000 0.714 194 N CB -0.915 37.549 38.487 -0.038 0.000 0.959 194 N HN 0.394 nan 8.380 nan 0.000 0.544 195 V N -3.946 115.955 119.914 -0.022 0.000 3.049 195 V HA 0.870 4.989 4.120 -0.001 0.000 0.309 195 V C 0.004 176.088 176.094 -0.017 0.000 1.148 195 V CA -0.493 61.809 62.300 0.003 0.000 0.990 195 V CB 2.355 34.225 31.823 0.078 0.000 1.039 195 V HN 0.047 nan 8.190 nan 0.000 0.430 196 T N 3.883 118.417 114.554 -0.034 0.000 2.930 196 T HA 0.579 4.929 4.350 -0.001 0.000 0.313 196 T C -2.744 171.879 174.700 -0.129 0.000 1.019 196 T CA -0.770 61.291 62.100 -0.065 0.000 1.004 196 T CB 1.380 70.200 68.868 -0.081 0.000 0.987 196 T HN 0.772 nan 8.240 nan 0.000 0.456 197 P HA 0.164 nan 4.420 nan 0.000 0.266 197 P C 0.834 177.757 177.300 -0.627 0.000 1.195 197 P CA -0.142 62.845 63.100 -0.190 0.000 0.768 197 P CB 0.517 32.218 31.700 0.003 0.000 0.838 198 T N -1.770 112.467 114.554 -0.528 0.000 3.084 198 T HA 0.548 4.898 4.350 -0.001 0.000 0.270 198 T C 0.314 174.837 174.700 -0.295 0.000 1.008 198 T CA -0.294 61.378 62.100 -0.714 0.000 0.900 198 T CB 0.121 68.776 68.868 -0.354 0.000 1.084 198 T HN 0.417 nan 8.240 nan 0.000 0.538 199 A N 0.824 123.624 122.820 -0.033 0.000 2.343 199 A HA 0.798 5.118 4.320 -0.001 0.000 0.316 199 A C -0.206 177.643 177.584 0.442 0.000 1.104 199 A CA -0.706 51.464 52.037 0.221 0.000 0.768 199 A CB 1.833 20.974 19.000 0.236 0.000 1.213 199 A HN 0.253 nan 8.150 nan 0.000 0.456 200 S N 2.223 118.176 115.700 0.422 0.000 2.509 200 S HA 0.648 5.117 4.470 -0.001 0.000 0.297 200 S C -1.101 173.688 174.600 0.316 0.000 1.118 200 S CA -0.420 57.968 58.200 0.314 0.000 1.074 200 S CB 0.683 63.897 63.200 0.024 0.000 1.038 200 S HN 0.783 nan 8.310 nan 0.000 0.498 201 W N 4.986 126.308 121.300 0.037 0.000 2.393 201 W HA 0.634 5.294 4.660 -0.001 0.000 0.315 201 W C -1.350 175.124 176.519 -0.075 0.000 1.009 201 W CA -0.870 56.449 57.345 -0.044 0.000 1.313 201 W CB 1.117 30.520 29.460 -0.094 0.000 1.269 201 W HN 0.776 nan 8.180 nan 0.000 0.420 202 A N 7.928 130.610 122.820 -0.231 0.000 2.842 202 A HA 0.264 4.583 4.320 -0.001 0.000 0.339 202 A C 0.411 177.765 177.584 -0.383 0.000 1.177 202 A CA -0.481 51.427 52.037 -0.216 0.000 0.797 202 A CB -0.420 18.569 19.000 -0.018 0.000 1.094 202 A HN 0.704 nan 8.150 nan 0.000 0.474 203 I N -2.170 117.989 120.570 -0.684 0.000 3.419 203 I HA 0.300 4.469 4.170 -0.001 0.000 0.286 203 I C 1.288 177.107 176.117 -0.497 0.000 1.268 203 I CA 1.279 62.138 61.300 -0.736 0.000 1.414 203 I CB 0.479 37.781 38.000 -1.164 0.000 1.074 203 I HN 0.347 nan 8.210 nan 0.000 0.457 204 A N 0.432 122.931 122.820 -0.535 0.000 2.226 204 A HA 0.487 4.806 4.320 -0.001 0.000 0.207 204 A C -2.017 175.151 177.584 -0.695 0.000 1.293 204 A CA -0.208 51.476 52.037 -0.588 0.000 0.968 204 A CB -0.742 17.769 19.000 -0.815 0.000 1.044 204 A HN 0.242 nan 8.150 nan 0.000 0.493 205 P HA 0.158 nan 4.420 nan 0.000 0.269 205 P C -0.760 176.125 177.300 -0.691 0.000 1.215 205 P CA 0.253 62.869 63.100 -0.807 0.000 0.780 205 P CB 0.099 31.474 31.700 -0.543 0.000 0.898 206 F N 1.900 121.618 119.950 -0.386 0.000 2.541 206 F HA 0.537 5.063 4.527 -0.001 0.000 0.351 206 F C 1.427 177.161 175.800 -0.111 0.000 1.209 206 F CA -0.629 57.107 58.000 -0.441 0.000 1.277 206 F CB -1.150 37.718 39.000 -0.220 0.000 1.632 206 F HN 0.505 nan 8.300 nan 0.000 0.619 207 G N 1.233 109.782 108.800 -0.418 0.000 2.662 207 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 207 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 207 G C -1.475 173.052 174.900 -0.620 0.000 1.271 207 G CA -1.157 43.778 45.100 -0.275 0.000 0.816 207 G HN 0.603 nan 8.290 nan 0.000 0.608 208 H N -0.582 118.182 119.070 -0.510 0.000 2.717 208 H HA 0.735 5.291 4.556 -0.001 0.000 0.366 208 H C -0.353 174.867 175.328 -0.180 0.000 1.132 208 H CA 0.037 55.984 56.048 -0.170 0.000 1.180 208 H CB 2.027 31.842 29.762 0.087 0.000 1.678 208 H HN 0.682 nan 8.280 nan 0.000 0.537 209 S N 2.407 118.252 115.700 0.242 0.000 2.501 209 S HA 0.260 4.729 4.470 -0.001 0.000 0.301 209 S C -1.763 172.874 174.600 0.063 0.000 1.096 209 S CA -1.811 56.542 58.200 0.255 0.000 1.063 209 S CB 1.310 64.699 63.200 0.315 0.000 1.042 209 S HN 0.448 nan 8.310 nan 0.000 0.494 210 P HA 0.013 nan 4.420 nan 0.000 0.234 210 P C 1.100 178.148 177.300 -0.420 0.000 1.167 210 P CA 0.748 63.469 63.100 -0.631 0.000 0.763 210 P CB -0.260 31.232 31.700 -0.346 0.000 0.835 211 T N -0.313 114.126 114.554 -0.191 0.000 2.803 211 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 211 T C 1.739 176.386 174.700 -0.087 0.000 1.052 211 T CA 1.363 63.386 62.100 -0.128 0.000 1.136 211 T CB -0.486 68.344 68.868 -0.063 0.000 0.864 211 T HN 0.025 nan 8.240 nan 0.000 0.467 212 M N 1.704 121.216 119.600 -0.146 0.000 2.077 212 M HA 0.020 4.500 4.480 -0.001 0.000 0.261 212 M C -1.079 175.083 176.300 -0.230 0.000 1.070 212 M CA 1.263 56.476 55.300 -0.145 0.000 1.125 212 M CB -1.027 31.517 32.600 -0.094 0.000 1.339 212 M HN 0.038 nan 8.290 nan 0.000 0.409 213 P HA -0.187 nan 4.420 nan 0.000 0.218 213 P C 1.429 178.604 177.300 -0.209 0.000 1.149 213 P CA 1.367 64.272 63.100 -0.325 0.000 0.817 213 P CB -0.498 30.904 31.700 -0.496 0.000 0.785 214 Y N 1.098 121.211 120.300 -0.312 0.000 2.097 214 Y HA -0.204 4.345 4.550 -0.001 0.000 0.282 214 Y C 2.388 178.203 175.900 -0.142 0.000 1.152 214 Y CA 1.711 59.690 58.100 -0.202 0.000 1.136 214 Y CB -0.931 37.425 38.460 -0.173 0.000 0.975 214 Y HN -0.243 nan 8.280 nan 0.000 0.498 215 I N -0.410 120.193 120.570 0.055 0.000 2.252 215 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 215 I C 2.275 178.329 176.117 -0.104 0.000 1.102 215 I CA 1.153 62.450 61.300 -0.004 0.000 1.385 215 I CB -0.409 37.641 38.000 0.083 0.000 1.064 215 I HN 0.265 nan 8.210 nan 0.000 0.414 216 L N 0.096 121.206 121.223 -0.189 0.000 2.046 216 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 216 L C 2.688 179.538 176.870 -0.033 0.000 1.077 216 L CA 1.230 55.890 54.840 -0.301 0.000 0.747 216 L CB -0.717 40.973 42.059 -0.615 0.000 0.896 216 L HN 0.348 nan 8.230 nan 0.000 0.432 217 Q N 1.068 120.819 119.800 -0.082 0.000 2.226 217 Q HA -0.192 4.148 4.340 -0.001 0.000 0.204 217 Q C 1.676 177.637 176.000 -0.064 0.000 0.975 217 Q CA 1.464 57.239 55.803 -0.047 0.000 0.866 217 Q CB 0.128 28.807 28.738 -0.099 0.000 0.915 217 Q HN 0.475 nan 8.270 nan 0.000 0.440 218 K N -0.545 119.781 120.400 -0.124 0.000 2.444 218 K HA 0.113 4.433 4.320 -0.001 0.000 0.193 218 K C 0.696 177.264 176.600 -0.053 0.000 1.024 218 K CA 0.140 56.348 56.287 -0.131 0.000 1.077 218 K CB 0.541 32.897 32.500 -0.241 0.000 0.833 218 K HN -0.070 nan 8.250 nan 0.000 0.517 219 S N -0.191 115.531 115.700 0.036 0.000 2.754 219 S HA 0.200 4.669 4.470 -0.001 0.000 0.247 219 S C 0.786 175.489 174.600 0.171 0.000 1.031 219 S CA 0.106 58.374 58.200 0.114 0.000 1.014 219 S CB 1.268 64.576 63.200 0.178 0.000 0.918 219 S HN 0.520 nan 8.310 nan 0.000 0.519 220 G N 1.245 110.098 108.800 0.090 0.000 2.176 220 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G C -0.013 174.869 174.900 -0.031 0.000 0.979 220 G CA -0.391 44.707 45.100 -0.003 0.000 0.641 220 G HN 0.441 nan 8.290 nan 0.000 0.530 221 F N 0.393 120.306 119.950 -0.063 0.000 2.450 221 F HA 0.546 5.073 4.527 -0.001 0.000 0.339 221 F C 1.623 177.367 175.800 -0.093 0.000 1.146 221 F CA 0.111 58.069 58.000 -0.069 0.000 1.267 221 F CB 0.869 39.832 39.000 -0.062 0.000 1.178 221 F HN -0.176 nan 8.300 nan 0.000 0.585 222 K N 0.759 121.183 120.400 0.040 0.000 2.464 222 K HA 0.251 4.570 4.320 -0.001 0.000 0.206 222 K C -0.386 176.157 176.600 -0.095 0.000 1.186 222 K CA 0.255 56.506 56.287 -0.060 0.000 0.990 222 K CB 0.342 32.759 32.500 -0.138 0.000 1.003 222 K HN 0.533 nan 8.250 nan 0.000 0.562 223 N N 0.799 119.426 118.700 -0.123 0.000 2.484 223 N HA 0.391 5.131 4.740 -0.001 0.000 0.269 223 N C -0.940 174.420 175.510 -0.250 0.000 1.237 223 N CA -0.400 52.409 53.050 -0.401 0.000 0.838 223 N CB 2.536 40.222 38.487 -1.334 0.000 1.593 223 N HN -0.072 nan 8.380 nan 0.000 0.485 224 M N -0.343 119.127 119.600 -0.217 0.000 2.569 224 M HA 0.634 5.113 4.480 -0.001 0.000 0.279 224 M C -1.977 174.389 176.300 0.111 0.000 1.253 224 M CA -0.943 54.354 55.300 -0.005 0.000 0.867 224 M CB 2.896 35.483 32.600 -0.023 0.000 1.727 224 M HN 0.469 nan 8.290 nan 0.000 0.467 225 L N 3.575 124.880 121.223 0.136 0.000 2.386 225 L HA 0.875 5.214 4.340 -0.001 0.000 0.271 225 L C -1.444 175.314 176.870 -0.186 0.000 0.993 225 L CA -0.744 54.135 54.840 0.066 0.000 0.819 225 L CB 2.010 44.149 42.059 0.133 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.951 121.323 120.570 -0.329 0.000 3.042 226 I HA 0.619 4.789 4.170 -0.001 0.000 0.310 226 I C -0.714 175.116 176.117 -0.479 0.000 1.117 226 I CA -0.565 60.359 61.300 -0.628 0.000 1.003 226 I CB 2.258 39.600 38.000 -1.097 0.000 1.228 226 I HN 0.739 nan 8.210 nan 0.000 0.443 227 Q N 1.895 121.473 119.800 -0.370 0.000 2.546 227 Q HA 0.333 4.673 4.340 -0.001 0.000 0.226 227 Q C 0.032 175.939 176.000 -0.156 0.000 0.769 227 Q CA 0.356 56.023 55.803 -0.228 0.000 0.954 227 Q CB 0.597 29.201 28.738 -0.225 0.000 1.319 227 Q HN 0.664 nan 8.270 nan 0.000 0.534 228 R N 2.043 122.477 120.500 -0.110 0.000 2.891 228 R HA 0.336 4.675 4.340 -0.001 0.000 0.248 228 R C -0.708 175.329 176.300 -0.438 0.000 1.439 228 R CA 0.574 56.345 56.100 -0.549 0.000 1.288 228 R CB 0.213 29.859 30.300 -1.091 0.000 1.212 228 R HN 0.387 nan 8.270 nan 0.000 0.605 229 T N -2.636 111.885 114.554 -0.055 0.000 2.924 229 T HA 0.146 4.496 4.350 -0.001 0.000 0.291 229 T C -0.024 174.924 174.700 0.413 0.000 1.045 229 T CA -0.893 61.303 62.100 0.160 0.000 1.015 229 T CB 1.755 70.577 68.868 -0.077 0.000 1.103 229 T HN 0.393 nan 8.240 nan 0.000 0.496 230 H N 1.852 121.128 119.070 0.344 0.000 3.064 230 H HA -0.031 4.524 4.556 -0.001 0.000 0.329 230 H C 1.094 176.482 175.328 0.100 0.000 1.020 230 H CA 0.428 56.586 56.048 0.183 0.000 1.402 230 H CB 0.339 30.230 29.762 0.214 0.000 1.379 230 H HN 0.926 nan 8.280 nan 0.000 0.594 231 Y N 2.391 122.812 120.300 0.201 0.000 2.241 231 Y HA -0.195 4.354 4.550 -0.001 0.000 0.286 231 Y C 2.168 178.241 175.900 0.289 0.000 1.166 231 Y CA 1.074 59.315 58.100 0.234 0.000 1.203 231 Y CB -0.668 37.867 38.460 0.126 0.000 0.977 231 Y HN 0.296 nan 8.280 nan 0.000 0.529 232 S N 0.273 116.021 115.700 0.081 0.000 2.406 232 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 232 S C 2.076 176.599 174.600 -0.129 0.000 1.020 232 S CA 1.095 59.234 58.200 -0.101 0.000 0.965 232 S CB -0.510 62.419 63.200 -0.452 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 1.989 121.882 119.914 -0.035 0.000 2.358 233 V HA -0.173 3.947 4.120 -0.001 0.000 0.246 233 V C 2.240 178.372 176.094 0.062 0.000 1.047 233 V CA 1.588 63.900 62.300 0.019 0.000 1.035 233 V CB -0.519 31.416 31.823 0.186 0.000 0.658 233 V HN 0.404 nan 8.190 nan 0.000 0.452 234 K N 0.154 120.633 120.400 0.133 0.000 2.032 234 K HA -0.264 4.056 4.320 -0.001 0.000 0.209 234 K C 2.283 179.016 176.600 0.221 0.000 1.048 234 K CA 1.940 58.323 56.287 0.161 0.000 0.927 234 K CB -0.258 32.395 32.500 0.256 0.000 0.712 234 K HN 0.352 nan 8.250 nan 0.000 0.441 235 K N 1.124 121.656 120.400 0.221 0.000 2.026 235 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 235 K C 2.138 178.832 176.600 0.156 0.000 1.048 235 K CA 1.772 58.196 56.287 0.229 0.000 0.929 235 K CB 0.034 32.598 32.500 0.106 0.000 0.713 235 K HN -0.007 nan 8.250 nan 0.000 0.439 236 E N 0.811 121.024 120.200 0.022 0.000 2.051 236 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 236 E C 1.927 178.520 176.600 -0.012 0.000 0.991 236 E CA 1.379 57.750 56.400 -0.048 0.000 0.799 236 E CB -0.145 29.478 29.700 -0.130 0.000 0.748 236 E HN 0.341 nan 8.360 nan 0.000 0.449 237 L N -0.250 120.977 121.223 0.008 0.000 2.109 237 L HA -0.041 4.298 4.340 -0.001 0.000 0.207 237 L C 2.505 179.395 176.870 0.034 0.000 1.086 237 L CA 0.876 55.714 54.840 -0.004 0.000 0.760 237 L CB -0.565 41.476 42.059 -0.030 0.000 0.910 237 L HN 0.211 nan 8.230 nan 0.000 0.437 238 A N -0.218 122.676 122.820 0.123 0.000 1.902 238 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 238 A C 2.209 179.978 177.584 0.310 0.000 1.181 238 A CA 1.468 53.635 52.037 0.217 0.000 0.623 238 A CB -0.466 18.816 19.000 0.470 0.000 0.818 238 A HN 0.451 nan 8.150 nan 0.000 0.443 239 Q N -0.921 119.014 119.800 0.225 0.000 2.234 239 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 239 Q C 1.321 177.310 176.000 -0.018 0.000 0.980 239 Q CA 1.311 57.089 55.803 -0.041 0.000 0.869 239 Q CB -0.027 28.557 28.738 -0.258 0.000 0.912 239 Q HN 0.614 nan 8.270 nan 0.000 0.436 240 Q N -0.293 119.510 119.800 0.005 0.000 2.247 240 Q HA 0.148 4.487 4.340 -0.001 0.000 0.204 240 Q C -0.393 175.623 176.000 0.026 0.000 0.872 240 Q CA -0.045 55.757 55.803 -0.001 0.000 0.951 240 Q CB 0.680 29.407 28.738 -0.019 0.000 1.099 240 Q HN 0.263 nan 8.270 nan 0.000 0.501 241 R N 0.925 121.447 120.500 0.036 0.000 3.322 241 R HA -0.212 4.128 4.340 -0.001 0.000 0.253 241 R C -0.090 176.241 176.300 0.052 0.000 0.987 241 R CA 0.469 56.582 56.100 0.021 0.000 0.666 241 R CB -1.727 28.611 30.300 0.063 0.000 1.072 241 R HN 0.386 nan 8.270 nan 0.000 0.447 242 Q N -0.034 119.785 119.800 0.032 0.000 2.186 242 Q HA 0.183 4.522 4.340 -0.001 0.000 0.241 242 Q C 1.175 177.253 176.000 0.130 0.000 0.849 242 Q CA -0.225 55.631 55.803 0.087 0.000 1.053 242 Q CB 0.552 29.307 28.738 0.028 0.000 1.146 242 Q HN 0.445 nan 8.270 nan 0.000 0.475 243 L N 0.095 121.327 121.223 0.014 0.000 2.418 243 L HA 0.040 4.380 4.340 -0.001 0.000 0.218 243 L C 0.324 177.175 176.870 -0.031 0.000 1.125 243 L CA 0.932 55.751 54.840 -0.034 0.000 0.835 243 L CB 0.307 42.162 42.059 -0.339 0.000 0.953 243 L HN 0.179 nan 8.230 nan 0.000 0.454 244 E N 0.188 120.409 120.200 0.035 0.000 2.158 244 E HA 0.522 4.871 4.350 -0.001 0.000 0.271 244 E C -1.215 175.287 176.600 -0.164 0.000 0.911 244 E CA -0.539 55.686 56.400 -0.292 0.000 0.767 244 E CB 1.512 31.161 29.700 -0.084 0.000 1.120 244 E HN 0.003 nan 8.360 nan 0.000 0.405 245 F N -0.303 119.381 119.950 -0.444 0.000 2.668 245 F HA 0.455 4.981 4.527 -0.001 0.000 0.309 245 F C -1.552 174.130 175.800 -0.197 0.000 1.117 245 F CA -1.385 56.502 58.000 -0.188 0.000 0.951 245 F CB 0.740 39.666 39.000 -0.124 0.000 1.323 245 F HN 0.159 nan 8.300 nan 0.000 0.451 246 L N 2.705 124.077 121.223 0.249 0.000 2.282 246 L HA 0.166 4.505 4.340 -0.001 0.000 0.287 246 L C -1.047 176.047 176.870 0.374 0.000 1.075 246 L CA -0.195 54.791 54.840 0.244 0.000 0.839 246 L CB 0.419 42.623 42.059 0.242 0.000 1.219 246 L HN 0.587 nan 8.230 nan 0.000 0.434 247 W N 6.835 128.241 121.300 0.176 0.000 2.416 247 W HA 0.327 4.986 4.660 -0.001 0.000 0.318 247 W C 0.260 176.804 176.519 0.042 0.000 1.150 247 W CA -1.294 56.174 57.345 0.205 0.000 1.392 247 W CB 0.416 30.038 29.460 0.271 0.000 1.311 247 W HN 0.512 nan 8.180 nan 0.000 0.436 248 R N 3.762 124.438 120.500 0.293 0.000 2.758 248 R HA 0.535 4.874 4.340 -0.001 0.000 0.265 248 R C -0.039 176.169 176.300 -0.153 0.000 1.016 248 R CA -0.899 55.199 56.100 -0.003 0.000 1.040 248 R CB 1.074 31.354 30.300 -0.034 0.000 1.152 248 R HN 0.246 nan 8.270 nan 0.000 0.503 249 Q N 1.284 120.835 119.800 -0.414 0.000 2.454 249 Q HA 0.058 4.397 4.340 -0.001 0.000 0.247 249 Q C 1.472 177.076 176.000 -0.661 0.000 1.028 249 Q CA 0.095 55.453 55.803 -0.742 0.000 0.910 249 Q CB 0.808 28.640 28.738 -1.511 0.000 1.276 249 Q HN 0.850 nan 8.270 nan 0.000 0.489 250 I N -2.209 118.075 120.570 -0.477 0.000 2.567 250 I HA -0.146 4.023 4.170 -0.001 0.000 0.257 250 I C 1.303 177.365 176.117 -0.092 0.000 1.184 250 I CA 1.248 62.440 61.300 -0.180 0.000 1.451 250 I CB -0.354 37.641 38.000 -0.008 0.000 1.089 250 I HN 0.672 nan 8.210 nan 0.000 0.441 251 W N 1.276 122.638 121.300 0.104 0.000 3.278 251 W HA 0.364 5.023 4.660 -0.001 0.000 0.308 251 W C 0.237 176.831 176.519 0.125 0.000 1.253 251 W CA -0.659 56.805 57.345 0.197 0.000 1.759 251 W CB -0.673 28.999 29.460 0.353 0.000 1.093 251 W HN -0.066 nan 8.180 nan 0.000 0.648 252 D N 1.931 122.093 120.400 -0.398 0.000 2.422 252 D HA -0.027 4.612 4.640 -0.001 0.000 0.227 252 D C 1.022 177.297 176.300 -0.042 0.000 1.190 252 D CA 0.179 54.061 54.000 -0.197 0.000 0.905 252 D CB 0.308 40.890 40.800 -0.364 0.000 1.034 252 D HN 0.090 nan 8.370 nan 0.000 0.507 253 N N 3.800 122.536 118.700 0.059 0.000 2.216 253 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 253 N C 1.442 176.970 175.510 0.030 0.000 1.017 253 N CA 1.185 54.262 53.050 0.046 0.000 0.861 253 N CB 0.146 38.681 38.487 0.080 0.000 0.986 253 N HN 0.336 nan 8.380 nan 0.000 0.428 254 K N -1.312 119.111 120.400 0.038 0.000 2.116 254 K HA 0.084 4.404 4.320 -0.001 0.000 0.203 254 K C 0.616 177.229 176.600 0.021 0.000 1.052 254 K CA 1.031 57.338 56.287 0.032 0.000 0.952 254 K CB 0.018 32.541 32.500 0.040 0.000 0.729 254 K HN 0.272 nan 8.250 nan 0.000 0.446 255 G N 0.844 109.648 108.800 0.007 0.000 2.148 255 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.203 255 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.203 255 G C 0.103 175.003 174.900 0.001 0.000 0.993 255 G CA 0.349 45.450 45.100 0.002 0.000 0.661 255 G HN 0.367 nan 8.290 nan 0.000 0.518 256 D N 0.654 121.056 120.400 0.002 0.000 2.310 256 D HA -0.025 4.614 4.640 -0.001 0.000 0.212 256 D C 2.565 178.850 176.300 -0.025 0.000 0.965 256 D CA 1.714 55.713 54.000 -0.002 0.000 0.879 256 D CB -0.264 40.542 40.800 0.009 0.000 0.921 256 D HN 0.674 nan 8.370 nan 0.000 0.510 257 T N -2.014 112.514 114.554 -0.044 0.000 3.113 257 T HA 0.289 4.639 4.350 -0.001 0.000 0.256 257 T C 0.998 175.654 174.700 -0.072 0.000 1.131 257 T CA -0.037 62.014 62.100 -0.081 0.000 1.074 257 T CB -0.040 68.757 68.868 -0.118 0.000 0.944 257 T HN 0.072 nan 8.240 nan 0.000 0.516 258 A N 1.384 124.188 122.820 -0.026 0.000 2.540 258 A HA 0.543 4.863 4.320 -0.001 0.000 0.239 258 A C -0.267 177.336 177.584 0.031 0.000 1.061 258 A CA -0.315 51.738 52.037 0.027 0.000 0.758 258 A CB -0.124 18.917 19.000 0.069 0.000 0.991 258 A HN 0.548 nan 8.150 nan 0.000 0.502 259 L N 2.742 124.004 121.223 0.066 0.000 2.409 259 L HA 0.545 4.885 4.340 -0.001 0.000 0.272 259 L C -0.637 176.293 176.870 0.099 0.000 0.980 259 L CA -0.550 54.325 54.840 0.058 0.000 0.826 259 L CB 1.414 43.471 42.059 -0.003 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.901 123.814 119.950 -0.062 0.000 2.602 260 F HA 0.360 4.886 4.527 -0.001 0.000 0.385 260 F C 0.058 175.742 175.800 -0.194 0.000 1.063 260 F CA 0.851 58.779 58.000 -0.119 0.000 1.233 260 F CB 0.408 39.352 39.000 -0.093 0.000 1.067 260 F HN 0.563 nan 8.300 nan 0.000 0.564 261 T N 5.374 119.364 114.554 -0.940 0.000 2.861 261 T HA 0.203 4.553 4.350 -0.001 0.000 0.287 261 T C -1.610 172.464 174.700 -1.043 0.000 1.003 261 T CA -0.487 61.139 62.100 -0.789 0.000 0.977 261 T CB 0.933 69.329 68.868 -0.786 0.000 0.996 261 T HN 0.609 nan 8.240 nan 0.000 0.448 262 H N 2.786 121.555 119.070 -0.501 0.000 2.541 262 H HA 0.623 5.178 4.556 -0.001 0.000 0.316 262 H C -0.398 174.747 175.328 -0.304 0.000 1.043 262 H CA -0.745 55.126 56.048 -0.295 0.000 1.232 262 H CB 0.747 30.555 29.762 0.077 0.000 1.406 262 H HN 0.478 nan 8.280 nan 0.000 0.469 263 M N 6.963 126.242 119.600 -0.536 0.000 2.113 263 M HA 0.295 4.774 4.480 -0.001 0.000 0.352 263 M C -0.927 175.135 176.300 -0.398 0.000 1.170 263 M CA -0.590 54.471 55.300 -0.400 0.000 1.053 263 M CB 0.680 33.094 32.600 -0.310 0.000 1.601 263 M HN 0.667 nan 8.290 nan 0.000 0.459 264 M N 6.686 126.151 119.600 -0.226 0.000 2.240 264 M HA 0.193 4.673 4.480 -0.001 0.000 0.333 264 M C -1.617 174.556 176.300 -0.213 0.000 1.110 264 M CA -1.204 54.008 55.300 -0.147 0.000 1.173 264 M CB 0.362 32.895 32.600 -0.110 0.000 1.458 264 M HN 0.481 nan 8.290 nan 0.000 0.458 265 P HA 0.131 nan 4.420 nan 0.000 0.245 265 P C -0.370 176.745 177.300 -0.309 0.000 1.199 265 P CA 0.857 63.654 63.100 -0.505 0.000 0.807 265 P CB 0.385 31.472 31.700 -1.021 0.000 1.002 266 F N -1.932 118.030 119.950 0.020 0.000 2.611 266 F HA 0.307 4.834 4.527 -0.001 0.000 0.374 266 F C 1.951 177.849 175.800 0.164 0.000 1.110 266 F CA -1.451 56.598 58.000 0.082 0.000 1.090 266 F CB -0.815 38.167 39.000 -0.030 0.000 1.388 266 F HN -0.320 nan 8.300 nan 0.000 0.501 267 Y N 0.095 120.554 120.300 0.265 0.000 2.373 267 Y HA 0.116 4.666 4.550 -0.001 0.000 0.293 267 Y C 0.880 176.710 175.900 -0.117 0.000 1.129 267 Y CA 1.314 59.432 58.100 0.029 0.000 1.226 267 Y CB 0.076 38.461 38.460 -0.124 0.000 1.000 267 Y HN 0.356 nan 8.280 nan 0.000 0.549 268 S N -1.697 113.872 115.700 -0.218 0.000 2.618 268 S HA 0.255 4.725 4.470 -0.001 0.000 0.277 268 S C -0.356 174.188 174.600 -0.094 0.000 1.138 268 S CA -0.388 57.581 58.200 -0.385 0.000 0.844 268 S CB 0.330 63.238 63.200 -0.486 0.000 1.127 268 S HN 0.289 nan 8.310 nan 0.000 0.474 269 Y N 0.886 121.148 120.300 -0.064 0.000 2.466 269 Y HA 0.310 4.859 4.550 -0.001 0.000 0.272 269 Y C 0.409 176.394 175.900 0.143 0.000 1.169 269 Y CA -0.590 57.503 58.100 -0.012 0.000 1.285 269 Y CB -1.048 37.320 38.460 -0.154 0.000 1.078 269 Y HN 0.550 nan 8.280 nan 0.000 0.523 270 D N 0.574 121.041 120.400 0.111 0.000 2.371 270 D HA -0.006 4.633 4.640 -0.001 0.000 0.242 270 D C 1.241 177.686 176.300 0.241 0.000 1.218 270 D CA -0.437 53.691 54.000 0.213 0.000 0.945 270 D CB 0.811 41.694 40.800 0.137 0.000 1.137 270 D HN 0.241 nan 8.370 nan 0.000 0.464 271 I N -0.254 120.431 120.570 0.190 0.000 2.226 271 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 271 I C -0.749 175.417 176.117 0.081 0.000 1.100 271 I CA 0.873 62.267 61.300 0.157 0.000 1.374 271 I CB -1.182 36.896 38.000 0.130 0.000 1.057 271 I HN 0.345 nan 8.210 nan 0.000 0.413 272 P HA -0.157 nan 4.420 nan 0.000 0.221 272 P C 0.585 177.599 177.300 -0.477 0.000 1.145 272 P CA 1.609 64.552 63.100 -0.263 0.000 0.795 272 P CB -0.114 31.429 31.700 -0.262 0.000 0.775 273 H N -2.978 116.100 119.070 0.014 0.000 2.486 273 H HA 0.218 4.774 4.556 -0.001 0.000 0.284 273 H C 0.914 176.345 175.328 0.171 0.000 1.103 273 H CA 0.577 56.644 56.048 0.033 0.000 1.089 273 H CB -0.228 29.620 29.762 0.143 0.000 1.603 273 H HN 0.104 nan 8.280 nan 0.000 0.557 274 T N -4.211 110.465 114.554 0.204 0.000 2.986 274 T HA -0.022 4.328 4.350 -0.001 0.000 0.264 274 T C 1.806 176.631 174.700 0.207 0.000 0.964 274 T CA 0.360 62.604 62.100 0.240 0.000 0.895 274 T CB -0.684 68.318 68.868 0.222 0.000 1.163 274 T HN 0.509 nan 8.240 nan 0.000 0.517 275 c N 1.558 120.250 118.600 0.154 0.000 2.495 275 c HA 0.706 5.275 4.570 -0.001 0.000 0.275 275 c C 1.334 175.545 174.090 0.202 0.000 1.392 275 c CA 0.418 56.874 56.329 0.211 0.000 1.766 275 c CB -1.142 41.452 42.510 0.141 0.000 1.933 275 c HN 0.885 nan 8.230 nan 0.000 0.519 276 G N -0.344 108.503 108.800 0.078 0.000 2.324 276 G HA2 0.370 4.330 3.960 -0.001 0.000 0.293 276 G HA3 0.370 4.330 3.960 -0.001 0.000 0.293 276 G C -2.748 171.780 174.900 -0.620 0.000 1.297 276 G CA 0.221 45.300 45.100 -0.036 0.000 0.853 276 G HN -0.102 nan 8.290 nan 0.000 0.535 277 P HA 0.108 nan 4.420 nan 0.000 0.229 277 P C -0.122 176.756 177.300 -0.703 0.000 1.160 277 P CA 0.990 63.393 63.100 -1.162 0.000 0.777 277 P CB 0.388 31.737 31.700 -0.585 0.000 0.814 278 D N 0.956 121.061 120.400 -0.492 0.000 2.454 278 D HA 0.142 4.781 4.640 -0.001 0.000 0.225 278 D C -1.514 174.446 176.300 -0.567 0.000 1.081 278 D CA -2.581 51.173 54.000 -0.410 0.000 0.864 278 D CB 1.340 41.982 40.800 -0.263 0.000 1.040 278 D HN -0.004 nan 8.370 nan 0.000 0.517 279 P HA -0.127 nan 4.420 nan 0.000 0.223 279 P C 1.237 177.723 177.300 -1.357 0.000 1.151 279 P CA 0.619 62.980 63.100 -1.231 0.000 0.787 279 P CB 0.516 31.192 31.700 -1.707 0.000 0.788 280 K N 0.339 120.075 120.400 -1.106 0.000 2.147 280 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 280 K C 1.784 178.201 176.600 -0.305 0.000 1.049 280 K CA 1.147 57.089 56.287 -0.575 0.000 0.936 280 K CB -0.224 32.120 32.500 -0.258 0.000 0.722 280 K HN -0.064 nan 8.250 nan 0.000 0.446 281 V N 0.374 120.116 119.914 -0.285 0.000 2.379 281 V HA -0.238 3.881 4.120 -0.001 0.000 0.243 281 V C 2.426 178.493 176.094 -0.046 0.000 1.035 281 V CA 1.398 63.624 62.300 -0.124 0.000 1.035 281 V CB -0.356 31.411 31.823 -0.094 0.000 0.673 281 V HN 0.470 nan 8.190 nan 0.000 0.457 282 c N -0.660 117.840 118.600 -0.167 0.000 2.413 282 c HA -0.206 4.364 4.570 -0.001 0.000 0.277 282 c C 2.994 177.053 174.090 -0.051 0.000 1.265 282 c CA 0.827 57.119 56.329 -0.063 0.000 1.752 282 c CB -1.476 40.919 42.510 -0.192 0.000 1.998 282 c HN 0.761 nan 8.230 nan 0.000 0.489 283 c N 0.852 119.334 118.600 -0.197 0.000 2.410 283 c HA -0.153 4.417 4.570 -0.001 0.000 0.281 283 c C 2.596 176.579 174.090 -0.178 0.000 1.318 283 c CA 1.254 57.519 56.329 -0.107 0.000 1.776 283 c CB -1.493 41.030 42.510 0.022 0.000 1.942 283 c HN 0.643 nan 8.230 nan 0.000 0.508 284 Q N -1.388 118.248 119.800 -0.273 0.000 2.515 284 Q HA -0.010 4.330 4.340 -0.001 0.000 0.212 284 Q C 0.671 176.001 176.000 -1.118 0.000 0.970 284 Q CA 0.976 56.423 55.803 -0.594 0.000 0.941 284 Q CB -0.015 28.349 28.738 -0.622 0.000 0.998 284 Q HN 0.747 nan 8.270 nan 0.000 0.518 285 F N -0.339 119.327 119.950 -0.473 0.000 2.668 285 F HA 0.168 4.695 4.527 -0.001 0.000 0.301 285 F C 0.219 175.749 175.800 -0.450 0.000 1.106 285 F CA -0.597 57.032 58.000 -0.618 0.000 1.289 285 F CB 0.778 39.652 39.000 -0.209 0.000 1.006 285 F HN -0.143 nan 8.300 nan 0.000 0.535 286 D N 0.080 120.270 120.400 -0.349 0.000 2.467 286 D HA 0.135 4.775 4.640 -0.001 0.000 0.220 286 D C 0.490 176.616 176.300 -0.289 0.000 1.103 286 D CA -0.330 53.574 54.000 -0.160 0.000 0.886 286 D CB 0.136 40.896 40.800 -0.067 0.000 1.025 286 D HN 0.076 nan 8.370 nan 0.000 0.514 287 F N 1.806 121.762 119.950 0.010 0.000 2.802 287 F HA 0.097 4.623 4.527 -0.001 0.000 0.300 287 F C 2.331 178.078 175.800 -0.089 0.000 1.168 287 F CA 0.304 58.283 58.000 -0.034 0.000 1.433 287 F CB 0.063 39.065 39.000 0.004 0.000 1.115 287 F HN 0.273 nan 8.300 nan 0.000 0.582 288 K N 0.685 121.016 120.400 -0.114 0.000 2.525 288 K HA 0.030 4.350 4.320 -0.001 0.000 0.192 288 K C 1.103 177.663 176.600 -0.066 0.000 1.029 288 K CA 0.338 56.421 56.287 -0.340 0.000 1.029 288 K CB 0.106 32.270 32.500 -0.561 0.000 0.814 288 K HN 0.205 nan 8.250 nan 0.000 0.503 289 R N -0.023 120.465 120.500 -0.020 0.000 2.586 289 R HA 0.200 4.539 4.340 -0.001 0.000 0.306 289 R C 0.990 177.316 176.300 0.042 0.000 1.079 289 R CA -0.177 55.934 56.100 0.018 0.000 1.083 289 R CB 0.243 30.532 30.300 -0.019 0.000 1.306 289 R HN 0.185 nan 8.270 nan 0.000 0.567 290 M N -1.080 118.579 119.600 0.099 0.000 2.541 290 M HA 0.152 4.632 4.480 -0.001 0.000 0.252 290 M C 1.211 177.553 176.300 0.069 0.000 1.125 290 M CA 1.000 56.345 55.300 0.075 0.000 1.091 290 M CB 0.764 33.420 32.600 0.094 0.000 1.420 290 M HN 0.492 nan 8.290 nan 0.000 0.486 291 G N -0.182 108.677 108.800 0.099 0.000 3.288 291 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.195 291 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.195 291 G C 1.004 175.922 174.900 0.029 0.000 1.093 291 G CA 0.238 45.370 45.100 0.054 0.000 0.852 291 G HN 0.402 nan 8.290 nan 0.000 0.453 292 S N 0.314 115.998 115.700 -0.027 0.000 2.474 292 S HA 0.182 4.652 4.470 -0.001 0.000 0.235 292 S C 1.736 176.161 174.600 -0.291 0.000 0.997 292 S CA 1.499 59.584 58.200 -0.193 0.000 0.949 292 S CB -0.441 62.566 63.200 -0.321 0.000 0.766 292 S HN 0.345 nan 8.310 nan 0.000 0.517 293 F N 1.927 121.876 119.950 -0.001 0.000 2.765 293 F HA 0.423 4.949 4.527 -0.001 0.000 0.302 293 F C 1.889 177.690 175.800 0.003 0.000 1.111 293 F CA -0.066 57.934 58.000 -0.001 0.000 1.359 293 F CB -0.270 38.725 39.000 -0.008 0.000 1.097 293 F HN 0.359 nan 8.300 nan 0.000 0.577 294 G N 1.179 110.055 108.800 0.128 0.000 2.160 294 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G C -0.100 174.854 174.900 0.089 0.000 1.008 294 G CA 0.081 45.232 45.100 0.084 0.000 0.724 294 G HN 0.319 nan 8.290 nan 0.000 0.514 295 L N 0.116 121.406 121.223 0.111 0.000 2.341 295 L HA 0.858 5.198 4.340 -0.001 0.000 0.267 295 L C 0.523 177.426 176.870 0.056 0.000 1.009 295 L CA -0.403 54.483 54.840 0.076 0.000 0.819 295 L CB 2.318 44.419 42.059 0.071 0.000 1.323 295 L HN 0.431 nan 8.230 nan 0.000 0.425 296 S N -0.681 115.039 115.700 0.033 0.000 2.671 296 S HA 0.537 5.006 4.470 -0.001 0.000 0.277 296 S C -1.179 173.434 174.600 0.022 0.000 1.165 296 S CA -0.811 57.400 58.200 0.019 0.000 0.822 296 S CB 1.639 64.840 63.200 0.002 0.000 1.150 296 S HN 0.527 nan 8.310 nan 0.000 0.479 297 c N 2.756 121.374 118.600 0.030 0.000 2.265 297 c HA 0.532 5.102 4.570 -0.001 0.000 0.332 297 c C -1.234 172.846 174.090 -0.017 0.000 1.248 297 c CA -1.067 55.319 56.329 0.094 0.000 1.727 297 c CB 0.619 43.222 42.510 0.155 0.000 2.348 297 c HN 0.758 nan 8.230 nan 0.000 0.519 298 P HA -0.086 nan 4.420 nan 0.000 0.222 298 P C 1.137 178.136 177.300 -0.501 0.000 1.147 298 P CA 1.283 64.086 63.100 -0.495 0.000 0.790 298 P CB 0.049 31.218 31.700 -0.885 0.000 0.780 299 W N -0.107 121.172 121.300 -0.036 0.000 3.256 299 W HA 0.193 4.853 4.660 -0.001 0.000 0.269 299 W C 0.566 177.058 176.519 -0.045 0.000 1.310 299 W CA 0.129 57.447 57.345 -0.044 0.000 1.673 299 W CB -0.491 28.934 29.460 -0.058 0.000 1.115 299 W HN 0.115 nan 8.180 nan 0.000 0.686 300 K N -0.954 119.502 120.400 0.093 0.000 3.467 300 K HA -0.170 4.150 4.320 -0.001 0.000 0.309 300 K C -0.416 176.206 176.600 0.037 0.000 1.350 300 K CA 0.481 56.790 56.287 0.036 0.000 0.934 300 K CB -1.961 30.547 32.500 0.013 0.000 1.312 300 K HN -0.112 nan 8.250 nan 0.000 0.461 301 V N 1.856 121.804 119.914 0.056 0.000 2.407 301 V HA 0.325 4.444 4.120 -0.001 0.000 0.291 301 V C -1.816 174.263 176.094 -0.024 0.000 1.018 301 V CA -1.533 60.770 62.300 0.005 0.000 0.842 301 V CB 1.401 33.218 31.823 -0.009 0.000 0.996 301 V HN -0.032 nan 8.190 nan 0.000 0.426 302 P HA 0.421 nan 4.420 nan 0.000 0.276 302 P C -2.841 174.366 177.300 -0.154 0.000 1.252 302 P CA -2.078 60.979 63.100 -0.072 0.000 0.802 302 P CB 0.313 31.985 31.700 -0.046 0.000 1.035 303 P HA 0.262 nan 4.420 nan 0.000 0.272 303 P C -0.334 176.861 177.300 -0.175 0.000 1.223 303 P CA 0.119 63.010 63.100 -0.349 0.000 0.784 303 P CB 0.575 32.008 31.700 -0.446 0.000 0.923 304 R N 0.330 120.736 120.500 -0.156 0.000 2.599 304 R HA 0.418 4.758 4.340 -0.001 0.000 0.295 304 R C -0.283 176.075 176.300 0.096 0.000 0.963 304 R CA -0.682 55.400 56.100 -0.029 0.000 0.883 304 R CB 1.258 31.520 30.300 -0.064 0.000 1.171 304 R HN 0.352 nan 8.270 nan 0.000 0.450 305 T N 3.897 118.504 114.554 0.088 0.000 2.905 305 T HA 0.027 4.377 4.350 -0.001 0.000 0.299 305 T C 0.745 175.441 174.700 -0.006 0.000 1.024 305 T CA 0.183 62.312 62.100 0.049 0.000 1.151 305 T CB 0.131 69.008 68.868 0.014 0.000 0.987 305 T HN 0.197 nan 8.240 nan 0.000 0.535 306 I N 4.047 124.569 120.570 -0.080 0.000 2.496 306 I HA 0.243 4.413 4.170 -0.001 0.000 0.285 306 I C 0.992 177.064 176.117 -0.076 0.000 1.080 306 I CA 0.053 61.303 61.300 -0.084 0.000 1.404 306 I CB 0.291 38.201 38.000 -0.149 0.000 1.403 306 I HN 0.754 nan 8.210 nan 0.000 0.539 307 S N 3.881 119.547 115.700 -0.057 0.000 2.667 307 S HA 0.437 4.907 4.470 -0.001 0.000 0.292 307 S C 0.383 174.954 174.600 -0.048 0.000 1.126 307 S CA -0.761 57.412 58.200 -0.044 0.000 0.881 307 S CB 2.200 65.381 63.200 -0.032 0.000 1.132 307 S HN 0.506 nan 8.310 nan 0.000 0.492 308 D N 0.720 121.101 120.400 -0.032 0.000 2.218 308 D HA -0.067 4.572 4.640 -0.001 0.000 0.204 308 D C 1.531 177.809 176.300 -0.037 0.000 0.976 308 D CA 1.456 55.439 54.000 -0.028 0.000 0.853 308 D CB -0.230 40.567 40.800 -0.005 0.000 0.939 308 D HN 0.549 nan 8.370 nan 0.000 0.481 309 Q N 0.110 119.892 119.800 -0.031 0.000 2.389 309 Q HA -0.013 4.326 4.340 -0.001 0.000 0.204 309 Q C 1.222 177.199 176.000 -0.038 0.000 0.944 309 Q CA 0.743 56.529 55.803 -0.028 0.000 0.908 309 Q CB -0.069 28.658 28.738 -0.019 0.000 1.002 309 Q HN 0.375 nan 8.270 nan 0.000 0.493 310 N N -1.692 116.978 118.700 -0.051 0.000 2.171 310 N HA -0.013 4.727 4.740 -0.001 0.000 0.212 310 N C 1.065 176.526 175.510 -0.081 0.000 1.184 310 N CA 0.120 53.139 53.050 -0.052 0.000 0.888 310 N CB -0.238 38.225 38.487 -0.039 0.000 1.038 310 N HN 0.047 nan 8.380 nan 0.000 0.517 311 V N 0.419 120.249 119.914 -0.139 0.000 2.490 311 V HA -0.040 4.079 4.120 -0.001 0.000 0.250 311 V C 2.212 178.094 176.094 -0.352 0.000 1.061 311 V CA 1.966 64.130 62.300 -0.228 0.000 1.064 311 V CB -0.827 30.836 31.823 -0.268 0.000 0.670 311 V HN 0.437 nan 8.190 nan 0.000 0.461 312 A N -0.162 122.445 122.820 -0.354 0.000 1.873 312 A HA -0.011 4.309 4.320 -0.001 0.000 0.215 312 A C 2.419 180.036 177.584 0.055 0.000 1.186 312 A CA 2.033 53.981 52.037 -0.150 0.000 0.616 312 A CB -0.981 18.024 19.000 0.009 0.000 0.823 312 A HN 0.778 nan 8.150 nan 0.000 0.442 313 A N -0.498 122.333 122.820 0.017 0.000 1.898 313 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 313 A C 2.237 179.857 177.584 0.060 0.000 1.181 313 A CA 1.290 53.355 52.037 0.047 0.000 0.620 313 A CB -0.419 18.592 19.000 0.019 0.000 0.819 313 A HN 0.410 nan 8.150 nan 0.000 0.442 314 R N 0.166 120.694 120.500 0.046 0.000 2.073 314 R HA -0.068 4.272 4.340 -0.001 0.000 0.234 314 R C 2.426 178.773 176.300 0.078 0.000 1.134 314 R CA 1.638 57.817 56.100 0.133 0.000 0.952 314 R CB -1.077 29.298 30.300 0.125 0.000 0.850 314 R HN 0.530 nan 8.270 nan 0.000 0.433 315 S N 1.409 117.107 115.700 -0.003 0.000 2.368 315 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 315 S C 1.372 175.868 174.600 -0.174 0.000 1.030 315 S CA 1.356 59.476 58.200 -0.133 0.000 0.999 315 S CB -0.276 62.996 63.200 0.120 0.000 0.844 315 S HN 0.260 nan 8.310 nan 0.000 0.459 316 D N 1.573 122.059 120.400 0.143 0.000 2.126 316 D HA -0.129 4.511 4.640 -0.001 0.000 0.190 316 D C 1.883 178.182 176.300 -0.001 0.000 1.001 316 D CA 1.066 55.189 54.000 0.204 0.000 0.841 316 D CB -0.483 40.435 40.800 0.196 0.000 0.949 316 D HN 0.288 nan 8.370 nan 0.000 0.446 317 L N -0.202 121.000 121.223 -0.036 0.000 2.056 317 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 317 L C 2.401 179.089 176.870 -0.303 0.000 1.078 317 L CA 0.450 55.245 54.840 -0.074 0.000 0.749 317 L CB -0.200 41.892 42.059 0.054 0.000 0.901 317 L HN 0.079 nan 8.230 nan 0.000 0.433 318 L N -0.960 119.907 121.223 -0.594 0.000 2.072 318 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 318 L C 2.308 178.470 176.870 -1.180 0.000 1.079 318 L CA 1.557 55.709 54.840 -1.147 0.000 0.752 318 L CB -0.318 40.772 42.059 -1.616 0.000 0.906 318 L HN -0.081 nan 8.230 nan 0.000 0.436 319 V N -0.080 119.263 119.914 -0.951 0.000 2.407 319 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 319 V C 2.301 178.195 176.094 -0.333 0.000 1.055 319 V CA 1.875 63.751 62.300 -0.707 0.000 1.049 319 V CB -0.746 30.593 31.823 -0.807 0.000 0.662 319 V HN 0.569 nan 8.190 nan 0.000 0.455 320 D N -0.690 119.587 120.400 -0.206 0.000 2.123 320 D HA -0.214 4.426 4.640 -0.001 0.000 0.196 320 D C 2.237 178.501 176.300 -0.060 0.000 0.992 320 D CA 1.247 55.241 54.000 -0.009 0.000 0.833 320 D CB -0.015 40.841 40.800 0.094 0.000 0.954 320 D HN 0.294 nan 8.370 nan 0.000 0.455 321 Q N -0.449 119.248 119.800 -0.171 0.000 2.061 321 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 321 Q C 2.193 178.200 176.000 0.012 0.000 0.984 321 Q CA 1.060 56.788 55.803 -0.125 0.000 0.846 321 Q CB -0.652 27.951 28.738 -0.225 0.000 0.902 321 Q HN 0.561 nan 8.270 nan 0.000 0.421 322 W N 1.448 122.633 121.300 -0.192 0.000 2.335 322 W HA -0.115 4.545 4.660 -0.001 0.000 0.311 322 W C 2.108 178.500 176.519 -0.211 0.000 1.213 322 W CA 0.801 58.032 57.345 -0.190 0.000 1.274 322 W CB -0.726 28.590 29.460 -0.240 0.000 1.148 322 W HN 0.228 nan 8.180 nan 0.000 0.498 323 K N 0.166 120.510 120.400 -0.092 0.000 2.148 323 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 323 K C 1.946 178.385 176.600 -0.269 0.000 1.050 323 K CA 1.234 57.313 56.287 -0.347 0.000 0.942 323 K CB -0.220 31.774 32.500 -0.844 0.000 0.724 323 K HN 0.087 nan 8.250 nan 0.000 0.446 324 K N 1.003 121.331 120.400 -0.120 0.000 2.025 324 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 324 K C 2.110 178.776 176.600 0.110 0.000 1.049 324 K CA 1.196 57.542 56.287 0.098 0.000 0.933 324 K CB -0.017 32.559 32.500 0.126 0.000 0.714 324 K HN 0.012 nan 8.250 nan 0.000 0.438 325 K N 0.802 121.272 120.400 0.116 0.000 2.103 325 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 325 K C 2.025 178.746 176.600 0.202 0.000 1.048 325 K CA 1.285 57.669 56.287 0.161 0.000 0.930 325 K CB -0.093 32.519 32.500 0.186 0.000 0.716 325 K HN 0.147 nan 8.250 nan 0.000 0.444 326 A N 1.152 124.072 122.820 0.168 0.000 2.070 326 A HA -0.130 4.189 4.320 -0.001 0.000 0.220 326 A C 1.691 179.442 177.584 0.278 0.000 1.159 326 A CA 1.258 53.431 52.037 0.227 0.000 0.656 326 A CB -0.300 18.799 19.000 0.164 0.000 0.800 326 A HN 0.301 nan 8.150 nan 0.000 0.453 327 E N 0.049 120.389 120.200 0.234 0.000 2.265 327 E HA -0.098 4.251 4.350 -0.001 0.000 0.196 327 E C 1.591 178.317 176.600 0.211 0.000 0.996 327 E CA 0.671 57.218 56.400 0.245 0.000 0.832 327 E CB -0.239 29.631 29.700 0.284 0.000 0.756 327 E HN 0.726 nan 8.360 nan 0.000 0.491 328 L N -0.650 120.657 121.223 0.140 0.000 2.554 328 L HA 0.037 4.377 4.340 -0.001 0.000 0.226 328 L C 0.227 176.882 176.870 -0.358 0.000 1.137 328 L CA 0.284 55.069 54.840 -0.091 0.000 0.863 328 L CB -0.071 41.815 42.059 -0.289 0.000 0.985 328 L HN -0.002 nan 8.230 nan 0.000 0.451 329 Y N -1.739 118.643 120.300 0.137 0.000 2.634 329 Y HA 0.379 4.929 4.550 -0.001 0.000 0.340 329 Y C 1.067 177.079 175.900 0.186 0.000 1.058 329 Y CA -0.993 57.207 58.100 0.168 0.000 1.081 329 Y CB 1.234 39.803 38.460 0.182 0.000 1.295 329 Y HN -0.292 nan 8.280 nan 0.000 0.487 330 R N -0.547 120.191 120.500 0.395 0.000 2.265 330 R HA 0.096 4.436 4.340 -0.001 0.000 0.194 330 R C 0.316 176.738 176.300 0.203 0.000 0.931 330 R CA 0.732 56.972 56.100 0.233 0.000 1.032 330 R CB 0.318 30.693 30.300 0.124 0.000 0.980 330 R HN 0.754 nan 8.270 nan 0.000 0.497 331 T N -0.916 113.801 114.554 0.272 0.000 2.922 331 T HA 0.107 4.457 4.350 -0.001 0.000 0.281 331 T C 0.609 175.434 174.700 0.208 0.000 1.005 331 T CA -0.941 61.283 62.100 0.207 0.000 0.982 331 T CB 1.235 70.211 68.868 0.180 0.000 1.158 331 T HN 0.071 nan 8.240 nan 0.000 0.566 332 N N 0.078 118.870 118.700 0.153 0.000 2.327 332 N HA 0.145 4.884 4.740 -0.001 0.000 0.231 332 N C -0.720 174.793 175.510 0.005 0.000 1.130 332 N CA -0.363 52.741 53.050 0.091 0.000 0.845 332 N CB -0.151 38.272 38.487 -0.107 0.000 1.073 332 N HN 0.377 nan 8.380 nan 0.000 0.496 333 V N 1.238 121.182 119.914 0.049 0.000 2.444 333 V HA 0.419 4.539 4.120 -0.001 0.000 0.294 333 V C -0.690 175.497 176.094 0.154 0.000 1.022 333 V CA -0.966 61.363 62.300 0.049 0.000 0.850 333 V CB 1.587 33.420 31.823 0.017 0.000 0.992 333 V HN 0.174 nan 8.190 nan 0.000 0.426 334 L N 5.693 126.946 121.223 0.050 0.000 2.341 334 L HA 0.695 5.035 4.340 -0.001 0.000 0.278 334 L C -0.872 175.861 176.870 -0.229 0.000 1.005 334 L CA -0.493 54.290 54.840 -0.095 0.000 0.818 334 L CB 1.685 43.593 42.059 -0.252 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.356 127.228 121.223 -0.585 0.000 2.264 335 L HA 0.553 4.893 4.340 -0.001 0.000 0.289 335 L C -1.017 175.565 176.870 -0.480 0.000 1.044 335 L CA 0.140 54.480 54.840 -0.833 0.000 0.807 335 L CB 0.737 41.823 42.059 -1.622 0.000 1.192 335 L HN 0.433 nan 8.230 nan 0.000 0.425 336 I N 7.438 127.810 120.570 -0.330 0.000 2.502 336 I HA 0.333 4.502 4.170 -0.001 0.000 0.276 336 I C -2.276 173.821 176.117 -0.033 0.000 1.057 336 I CA -2.012 59.188 61.300 -0.166 0.000 1.163 336 I CB 1.012 38.889 38.000 -0.204 0.000 1.288 336 I HN 0.422 nan 8.210 nan 0.000 0.479 337 P HA 0.118 nan 4.420 nan 0.000 0.266 337 P C -0.410 177.070 177.300 0.300 0.000 1.195 337 P CA -0.174 63.060 63.100 0.222 0.000 0.768 337 P CB 0.792 32.655 31.700 0.271 0.000 0.838 338 L N 3.180 124.621 121.223 0.363 0.000 2.454 338 L HA 0.753 5.092 4.340 -0.001 0.000 0.258 338 L C -0.071 176.877 176.870 0.130 0.000 1.025 338 L CA 0.393 55.371 54.840 0.231 0.000 0.901 338 L CB 0.445 42.574 42.059 0.117 0.000 1.210 338 L HN 0.614 nan 8.230 nan 0.000 0.457 339 G N 1.591 110.351 108.800 -0.067 0.000 2.342 339 G HA2 0.479 4.438 3.960 -0.001 0.000 0.297 339 G HA3 0.479 4.438 3.960 -0.001 0.000 0.297 339 G C -2.200 172.588 174.900 -0.187 0.000 1.313 339 G CA -0.249 44.569 45.100 -0.470 0.000 0.830 339 G HN 0.369 nan 8.290 nan 0.000 0.506 340 D N -1.758 118.592 120.400 -0.085 0.000 2.879 340 D HA 0.308 4.948 4.640 -0.001 0.000 0.346 340 D C -1.519 174.919 176.300 0.229 0.000 1.390 340 D CA -0.446 53.683 54.000 0.216 0.000 0.838 340 D CB 1.380 42.265 40.800 0.142 0.000 1.416 340 D HN 0.223 nan 8.370 nan 0.000 0.493 341 D N 0.382 120.979 120.400 0.329 0.000 2.417 341 D HA 0.218 4.857 4.640 -0.001 0.000 0.250 341 D C 0.215 176.691 176.300 0.294 0.000 1.166 341 D CA 0.471 54.664 54.000 0.321 0.000 0.881 341 D CB -0.251 40.842 40.800 0.488 0.000 1.164 341 D HN 0.341 nan 8.370 nan 0.000 0.467 342 F N 0.225 120.250 119.950 0.125 0.000 3.079 342 F HA -0.308 4.219 4.527 -0.001 0.000 0.274 342 F C 1.118 176.965 175.800 0.080 0.000 0.940 342 F CA 0.606 58.658 58.000 0.087 0.000 0.932 342 F CB -0.943 38.105 39.000 0.081 0.000 0.891 342 F HN 0.223 nan 8.300 nan 0.000 0.722 343 R N -0.464 120.127 120.500 0.151 0.000 2.652 343 R HA 0.451 4.790 4.340 -0.001 0.000 0.271 343 R C 0.711 177.038 176.300 0.045 0.000 1.129 343 R CA -0.669 55.404 56.100 -0.045 0.000 1.200 343 R CB -0.104 30.055 30.300 -0.236 0.000 1.146 343 R HN 0.198 nan 8.270 nan 0.000 0.581 344 F N -0.818 118.970 119.950 -0.270 0.000 3.071 344 F HA -0.260 4.266 4.527 -0.001 0.000 0.295 344 F C 1.339 177.086 175.800 -0.088 0.000 0.919 344 F CA 0.996 58.641 58.000 -0.592 0.000 1.050 344 F CB -1.113 37.256 39.000 -1.051 0.000 1.040 344 F HN 0.607 nan 8.300 nan 0.000 0.692 345 K N -0.243 120.211 120.400 0.090 0.000 2.168 345 K HA 0.093 4.412 4.320 -0.001 0.000 0.201 345 K C 0.778 177.515 176.600 0.228 0.000 1.049 345 K CA 0.857 57.266 56.287 0.205 0.000 0.974 345 K CB 0.327 32.913 32.500 0.143 0.000 0.792 345 K HN 0.485 nan 8.250 nan 0.000 0.463 346 Q N 0.053 119.970 119.800 0.195 0.000 2.248 346 Q HA 0.219 4.558 4.340 -0.001 0.000 0.263 346 Q C 0.109 176.290 176.000 0.301 0.000 1.007 346 Q CA -0.671 55.256 55.803 0.207 0.000 0.877 346 Q CB 1.634 30.495 28.738 0.204 0.000 1.315 346 Q HN 0.150 nan 8.270 nan 0.000 0.454 347 N N 0.300 119.141 118.700 0.234 0.000 2.166 347 N HA -0.140 4.599 4.740 -0.001 0.000 0.186 347 N C 1.668 177.323 175.510 0.241 0.000 1.019 347 N CA 2.040 55.227 53.050 0.229 0.000 0.856 347 N CB -0.152 38.422 38.487 0.144 0.000 0.993 347 N HN 0.714 nan 8.380 nan 0.000 0.426 348 T N -1.013 113.681 114.554 0.234 0.000 2.833 348 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 348 T C 1.703 176.598 174.700 0.324 0.000 1.054 348 T CA 1.089 63.350 62.100 0.270 0.000 1.135 348 T CB -0.077 68.936 68.868 0.242 0.000 0.869 348 T HN 0.320 nan 8.240 nan 0.000 0.466 349 E N -0.228 120.114 120.200 0.238 0.000 2.072 349 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 349 E C 1.823 178.338 176.600 -0.142 0.000 0.982 349 E CA 0.682 57.001 56.400 -0.135 0.000 0.803 349 E CB -0.257 29.198 29.700 -0.409 0.000 0.755 349 E HN 0.699 nan 8.360 nan 0.000 0.453 350 W N 1.863 123.085 121.300 -0.129 0.000 2.318 350 W HA -0.211 4.449 4.660 -0.001 0.000 0.313 350 W C 2.134 178.519 176.519 -0.224 0.000 1.221 350 W CA 1.380 58.553 57.345 -0.286 0.000 1.266 350 W CB -0.317 28.627 29.460 -0.860 0.000 1.150 350 W HN 0.192 nan 8.180 nan 0.000 0.496 351 D N -0.608 119.884 120.400 0.152 0.000 2.097 351 D HA -0.167 4.472 4.640 -0.001 0.000 0.195 351 D C 2.285 178.680 176.300 0.159 0.000 0.989 351 D CA 1.446 55.583 54.000 0.229 0.000 0.827 351 D CB -0.958 39.977 40.800 0.224 0.000 0.966 351 D HN 0.026 nan 8.370 nan 0.000 0.456 352 V N 0.924 120.915 119.914 0.128 0.000 2.427 352 V HA -0.201 3.919 4.120 -0.001 0.000 0.248 352 V C 2.240 178.374 176.094 0.067 0.000 1.051 352 V CA 1.530 63.888 62.300 0.096 0.000 1.048 352 V CB -0.054 31.871 31.823 0.170 0.000 0.666 352 V HN 0.149 nan 8.190 nan 0.000 0.456 353 Q N -0.346 119.531 119.800 0.129 0.000 2.049 353 Q HA -0.178 4.162 4.340 -0.001 0.000 0.198 353 Q C 2.346 178.555 176.000 0.349 0.000 0.971 353 Q CA 1.798 57.776 55.803 0.292 0.000 0.833 353 Q CB -0.488 28.400 28.738 0.250 0.000 0.896 353 Q HN 0.596 nan 8.270 nan 0.000 0.434 354 R N 0.501 121.175 120.500 0.290 0.000 2.070 354 R HA -0.112 4.227 4.340 -0.001 0.000 0.233 354 R C 2.232 178.704 176.300 0.286 0.000 1.137 354 R CA 1.474 57.794 56.100 0.367 0.000 0.945 354 R CB -0.084 30.434 30.300 0.364 0.000 0.845 354 R HN 0.069 nan 8.270 nan 0.000 0.430 355 V N 1.923 121.925 119.914 0.146 0.000 2.358 355 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 355 V C 2.005 178.041 176.094 -0.097 0.000 1.047 355 V CA 1.797 64.127 62.300 0.051 0.000 1.035 355 V CB -0.607 31.236 31.823 0.034 0.000 0.658 355 V HN 0.433 nan 8.190 nan 0.000 0.452 356 N N -0.602 117.927 118.700 -0.286 0.000 2.142 356 N HA -0.163 4.576 4.740 -0.001 0.000 0.186 356 N C 1.868 177.048 175.510 -0.551 0.000 1.023 356 N CA 1.626 54.288 53.050 -0.647 0.000 0.852 356 N CB -0.311 37.185 38.487 -1.651 0.000 0.998 356 N HN 0.513 nan 8.380 nan 0.000 0.424 357 Y N 1.994 122.095 120.300 -0.332 0.000 2.200 357 Y HA -0.089 4.460 4.550 -0.001 0.000 0.290 357 Y C 2.394 177.793 175.900 -0.836 0.000 1.137 357 Y CA 1.057 58.837 58.100 -0.534 0.000 1.163 357 Y CB -0.177 38.052 38.460 -0.386 0.000 0.988 357 Y HN 0.129 nan 8.280 nan 0.000 0.518 358 E N -0.191 119.876 120.200 -0.221 0.000 2.085 358 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 358 E C 2.234 178.792 176.600 -0.069 0.000 0.994 358 E CA 1.277 57.633 56.400 -0.073 0.000 0.801 358 E CB -0.162 29.611 29.700 0.122 0.000 0.743 358 E HN 0.460 nan 8.360 nan 0.000 0.453 359 R N 0.300 120.735 120.500 -0.108 0.000 2.075 359 R HA -0.095 4.244 4.340 -0.001 0.000 0.232 359 R C 2.484 178.759 176.300 -0.042 0.000 1.126 359 R CA 0.867 56.931 56.100 -0.060 0.000 0.963 359 R CB -0.283 29.961 30.300 -0.092 0.000 0.858 359 R HN 0.161 nan 8.270 nan 0.000 0.435 360 L N -0.322 120.808 121.223 -0.155 0.000 2.017 360 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 360 L C 2.166 179.097 176.870 0.101 0.000 1.073 360 L CA 1.241 56.029 54.840 -0.087 0.000 0.745 360 L CB -0.448 41.474 42.059 -0.229 0.000 0.894 360 L HN 0.079 nan 8.230 nan 0.000 0.432 361 F N 0.193 120.165 119.950 0.036 0.000 2.134 361 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 361 F C 2.650 178.463 175.800 0.023 0.000 1.097 361 F CA 1.323 59.332 58.000 0.014 0.000 1.264 361 F CB -0.991 37.974 39.000 -0.058 0.000 1.001 361 F HN 0.210 nan 8.300 nan 0.000 0.479 362 E N -0.698 119.639 120.200 0.228 0.000 2.077 362 E HA -0.288 4.061 4.350 -0.001 0.000 0.193 362 E C 2.215 178.905 176.600 0.151 0.000 0.989 362 E CA 1.490 57.982 56.400 0.153 0.000 0.800 362 E CB -0.245 29.527 29.700 0.120 0.000 0.746 362 E HN 0.513 nan 8.360 nan 0.000 0.452 363 H N 0.279 119.402 119.070 0.089 0.000 2.270 363 H HA -0.070 4.486 4.556 -0.001 0.000 0.299 363 H C 2.091 177.508 175.328 0.148 0.000 1.077 363 H CA 2.254 58.365 56.048 0.105 0.000 1.294 363 H CB -0.211 29.610 29.762 0.099 0.000 1.371 363 H HN 0.141 nan 8.280 nan 0.000 0.491 364 I N 0.466 121.135 120.570 0.165 0.000 2.208 364 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 364 I C 1.681 177.839 176.117 0.067 0.000 1.097 364 I CA 1.394 62.760 61.300 0.110 0.000 1.363 364 I CB -0.299 37.709 38.000 0.013 0.000 1.051 364 I HN 0.380 nan 8.210 nan 0.000 0.413 365 N N 0.249 118.976 118.700 0.045 0.000 2.453 365 N HA -0.111 4.628 4.740 -0.001 0.000 0.183 365 N C 1.863 177.357 175.510 -0.027 0.000 1.041 365 N CA 1.465 54.511 53.050 -0.007 0.000 0.900 365 N CB -0.243 38.232 38.487 -0.020 0.000 0.961 365 N HN 0.415 nan 8.380 nan 0.000 0.443 366 S N -0.953 114.724 115.700 -0.037 0.000 2.524 366 S HA 0.123 4.593 4.470 -0.001 0.000 0.216 366 S C 0.611 175.151 174.600 -0.100 0.000 0.987 366 S CA -0.114 58.052 58.200 -0.057 0.000 0.909 366 S CB 0.267 63.445 63.200 -0.038 0.000 0.781 366 S HN -0.008 nan 8.310 nan 0.000 0.521 367 Q N 1.285 120.990 119.800 -0.158 0.000 2.421 367 Q HA 0.536 4.875 4.340 -0.001 0.000 0.242 367 Q C 0.931 176.761 176.000 -0.283 0.000 1.024 367 Q CA 0.135 55.788 55.803 -0.250 0.000 0.891 367 Q CB 1.289 29.741 28.738 -0.477 0.000 1.222 367 Q HN 0.461 nan 8.270 nan 0.000 0.483 368 A N 2.846 125.584 122.820 -0.137 0.000 1.940 368 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 368 A C 1.632 179.149 177.584 -0.112 0.000 1.176 368 A CA 2.134 54.115 52.037 -0.093 0.000 0.631 368 A CB -0.739 18.238 19.000 -0.039 0.000 0.814 368 A HN 0.904 nan 8.150 nan 0.000 0.446 369 H N -3.274 115.715 119.070 -0.134 0.000 2.457 369 H HA -0.094 4.461 4.556 -0.001 0.000 0.297 369 H C 1.410 176.689 175.328 -0.083 0.000 1.092 369 H CA 1.610 57.571 56.048 -0.145 0.000 1.309 369 H CB -0.589 29.029 29.762 -0.240 0.000 1.382 369 H HN 0.413 nan 8.280 nan 0.000 0.535 370 F N 0.899 120.554 119.950 -0.493 0.000 2.259 370 F HA 0.003 4.529 4.527 -0.001 0.000 0.298 370 F C 0.799 176.524 175.800 -0.125 0.000 1.088 370 F CA 0.765 58.607 58.000 -0.263 0.000 1.358 370 F CB -0.355 38.455 39.000 -0.316 0.000 1.040 370 F HN 0.190 nan 8.300 nan 0.000 0.505 371 N N 0.529 119.264 118.700 0.058 0.000 2.725 371 N HA -0.165 4.574 4.740 -0.001 0.000 0.251 371 N C -1.051 174.425 175.510 -0.057 0.000 1.031 371 N CA 0.449 53.513 53.050 0.023 0.000 0.720 371 N CB -1.521 37.031 38.487 0.108 0.000 0.930 371 N HN 0.032 nan 8.380 nan 0.000 0.543 372 V N 0.627 120.503 119.914 -0.063 0.000 2.789 372 V HA 0.402 4.521 4.120 -0.001 0.000 0.311 372 V C 0.088 176.098 176.094 -0.141 0.000 1.073 372 V CA -0.674 61.542 62.300 -0.139 0.000 0.921 372 V CB 2.505 34.267 31.823 -0.101 0.000 1.009 372 V HN 0.191 nan 8.190 nan 0.000 0.426 373 Q N 3.040 122.706 119.800 -0.224 0.000 2.339 373 Q HA 0.759 5.098 4.340 -0.001 0.000 0.268 373 Q C -0.791 174.957 176.000 -0.421 0.000 1.027 373 Q CA -0.138 55.507 55.803 -0.263 0.000 0.759 373 Q CB 1.607 30.195 28.738 -0.250 0.000 1.244 373 Q HN 1.004 nan 8.270 nan 0.000 0.464 374 A N 4.352 126.906 122.820 -0.442 0.000 2.350 374 A HA 0.883 5.202 4.320 -0.001 0.000 0.324 374 A C -1.163 175.729 177.584 -1.153 0.000 1.118 374 A CA -0.500 51.103 52.037 -0.723 0.000 0.783 374 A CB 1.136 19.884 19.000 -0.421 0.000 1.236 374 A HN 0.806 nan 8.150 nan 0.000 0.457 375 Q N 0.765 119.788 119.800 -1.294 0.000 2.522 375 Q HA 0.552 4.892 4.340 -0.001 0.000 0.285 375 Q C -1.666 173.902 176.000 -0.719 0.000 0.982 375 Q CA -0.823 54.264 55.803 -1.195 0.000 0.805 375 Q CB 0.661 29.071 28.738 -0.547 0.000 1.457 375 Q HN 0.390 nan 8.270 nan 0.000 0.394 376 F N 0.566 120.430 119.950 -0.144 0.000 2.518 376 F HA 0.609 5.136 4.527 -0.001 0.000 0.359 376 F C 1.156 177.002 175.800 0.077 0.000 1.118 376 F CA 1.413 59.458 58.000 0.074 0.000 1.287 376 F CB 1.012 40.112 39.000 0.167 0.000 1.132 376 F HN 0.753 nan 8.300 nan 0.000 0.587 377 G N 0.321 109.303 108.800 0.302 0.000 2.727 377 G HA2 0.613 4.572 3.960 -0.001 0.000 0.289 377 G HA3 0.613 4.572 3.960 -0.001 0.000 0.289 377 G C -1.079 173.824 174.900 0.006 0.000 1.418 377 G CA -0.622 44.590 45.100 0.186 0.000 0.818 377 G HN 0.716 nan 8.290 nan 0.000 0.486 378 T N -1.905 112.573 114.554 -0.126 0.000 2.937 378 T HA 0.476 4.825 4.350 -0.001 0.000 0.283 378 T C 1.297 175.843 174.700 -0.257 0.000 1.012 378 T CA -0.459 61.528 62.100 -0.188 0.000 0.997 378 T CB 1.522 70.293 68.868 -0.161 0.000 1.136 378 T HN 0.545 nan 8.240 nan 0.000 0.551 379 L N 0.602 121.674 121.223 -0.252 0.000 2.017 379 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 379 L C 2.800 179.625 176.870 -0.075 0.000 1.073 379 L CA 2.053 56.773 54.840 -0.200 0.000 0.745 379 L CB -1.145 40.833 42.059 -0.135 0.000 0.894 379 L HN 0.909 nan 8.230 nan 0.000 0.432 380 Q N -0.133 119.653 119.800 -0.024 0.000 2.124 380 Q HA -0.228 4.111 4.340 -0.001 0.000 0.202 380 Q C 2.089 178.022 176.000 -0.111 0.000 0.977 380 Q CA 1.998 57.819 55.803 0.029 0.000 0.850 380 Q CB -0.174 28.557 28.738 -0.011 0.000 0.901 380 Q HN 0.633 nan 8.270 nan 0.000 0.429 381 E N -1.211 118.829 120.200 -0.265 0.000 2.077 381 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 381 E C 1.692 177.844 176.600 -0.747 0.000 0.989 381 E CA 1.134 57.252 56.400 -0.471 0.000 0.800 381 E CB -0.301 29.046 29.700 -0.588 0.000 0.746 381 E HN 0.481 nan 8.360 nan 0.000 0.452 382 Y N 0.658 120.416 120.300 -0.904 0.000 2.097 382 Y HA -0.288 4.262 4.550 -0.001 0.000 0.282 382 Y C 1.897 177.503 175.900 -0.490 0.000 1.152 382 Y CA 1.686 59.299 58.100 -0.811 0.000 1.136 382 Y CB -0.501 37.518 38.460 -0.736 0.000 0.975 382 Y HN -0.057 nan 8.280 nan 0.000 0.498 383 F N 0.913 120.606 119.950 -0.429 0.000 2.134 383 F HA -0.184 4.343 4.527 -0.001 0.000 0.299 383 F C 2.252 177.815 175.800 -0.395 0.000 1.097 383 F CA 1.776 59.497 58.000 -0.465 0.000 1.264 383 F CB -0.883 38.036 39.000 -0.135 0.000 1.001 383 F HN 0.101 nan 8.300 nan 0.000 0.479 384 D N 0.054 120.403 120.400 -0.084 0.000 2.123 384 D HA -0.175 4.464 4.640 -0.001 0.000 0.196 384 D C 2.348 178.573 176.300 -0.125 0.000 0.992 384 D CA 1.549 55.508 54.000 -0.069 0.000 0.833 384 D CB -0.618 40.131 40.800 -0.086 0.000 0.954 384 D HN 0.245 nan 8.370 nan 0.000 0.455 385 A N 0.408 123.098 122.820 -0.218 0.000 1.930 385 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 385 A C 2.518 179.986 177.584 -0.193 0.000 1.175 385 A CA 0.902 52.857 52.037 -0.137 0.000 0.627 385 A CB -0.619 18.382 19.000 0.003 0.000 0.815 385 A HN 0.136 nan 8.150 nan 0.000 0.443 386 V N -0.064 119.600 119.914 -0.418 0.000 2.287 386 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 386 V C 2.415 178.328 176.094 -0.302 0.000 1.053 386 V CA 2.136 64.186 62.300 -0.417 0.000 1.027 386 V CB -1.006 30.389 31.823 -0.713 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.315 118.647 119.070 -0.181 0.000 2.462 387 H HA -0.065 4.491 4.556 -0.001 0.000 0.292 387 H C 2.405 177.699 175.328 -0.057 0.000 1.049 387 H CA 1.285 57.255 56.048 -0.130 0.000 1.334 387 H CB -0.078 29.567 29.762 -0.195 0.000 1.404 387 H HN 0.551 nan 8.280 nan 0.000 0.544 388 Q N 0.347 120.166 119.800 0.031 0.000 2.084 388 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 388 Q C 2.561 178.578 176.000 0.029 0.000 0.978 388 Q CA 1.363 57.180 55.803 0.023 0.000 0.844 388 Q CB -0.009 28.732 28.738 0.004 0.000 0.898 388 Q HN 0.406 nan 8.270 nan 0.000 0.426 389 A N 1.094 123.927 122.820 0.021 0.000 1.877 389 A HA -0.270 4.049 4.320 -0.001 0.000 0.216 389 A C 1.954 179.566 177.584 0.047 0.000 1.186 389 A CA 1.634 53.696 52.037 0.041 0.000 0.620 389 A CB -0.614 18.413 19.000 0.045 0.000 0.822 389 A HN 0.456 nan 8.150 nan 0.000 0.443 390 E N -0.184 120.060 120.200 0.074 0.000 2.070 390 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 390 E C 2.230 178.865 176.600 0.059 0.000 1.004 390 E CA 1.428 57.878 56.400 0.083 0.000 0.805 390 E CB -0.145 29.709 29.700 0.256 0.000 0.744 390 E HN 0.597 nan 8.360 nan 0.000 0.451 391 R N -0.297 120.242 120.500 0.064 0.000 2.148 391 R HA -0.027 4.312 4.340 -0.001 0.000 0.227 391 R C 2.183 178.499 176.300 0.027 0.000 1.103 391 R CA 0.807 56.931 56.100 0.040 0.000 0.983 391 R CB -0.154 30.166 30.300 0.033 0.000 0.874 391 R HN 0.140 nan 8.270 nan 0.000 0.451 392 A N 0.364 123.202 122.820 0.029 0.000 2.239 392 A HA 0.132 4.452 4.320 -0.001 0.000 0.209 392 A C 1.400 178.995 177.584 0.018 0.000 1.171 392 A CA 0.904 52.956 52.037 0.025 0.000 0.768 392 A CB -0.292 18.729 19.000 0.035 0.000 0.790 392 A HN 0.470 nan 8.150 nan 0.000 0.478 393 G N -0.783 108.023 108.800 0.011 0.000 2.136 393 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.242 393 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.242 393 G C 0.771 175.663 174.900 -0.014 0.000 0.989 393 G CA 0.708 45.806 45.100 -0.003 0.000 0.682 393 G HN 0.847 nan 8.290 nan 0.000 0.522 394 Q N -0.264 119.533 119.800 -0.005 0.000 2.398 394 Q HA 0.609 4.948 4.340 -0.001 0.000 0.204 394 Q C 0.894 176.868 176.000 -0.043 0.000 0.932 394 Q CA 1.420 57.224 55.803 0.002 0.000 0.916 394 Q CB 0.193 28.968 28.738 0.063 0.000 1.024 394 Q HN 1.589 nan 8.270 nan 0.000 0.504 395 A N 1.084 123.836 122.820 -0.115 0.000 2.604 395 A HA 0.496 4.815 4.320 -0.001 0.000 0.295 395 A C -1.698 175.665 177.584 -0.368 0.000 1.067 395 A CA -0.925 50.954 52.037 -0.263 0.000 0.683 395 A CB 1.265 20.037 19.000 -0.380 0.000 1.281 395 A HN 0.388 nan 8.150 nan 0.000 0.407 396 E N 0.845 120.821 120.200 -0.374 0.000 2.238 396 E HA 0.741 5.090 4.350 -0.001 0.000 0.267 396 E C -1.701 174.699 176.600 -0.335 0.000 0.887 396 E CA -0.579 55.653 56.400 -0.280 0.000 0.769 396 E CB 1.766 31.418 29.700 -0.081 0.000 1.187 396 E HN 0.327 nan 8.360 nan 0.000 0.416 397 F N 1.920 121.974 119.950 0.173 0.000 2.450 397 F HA 0.393 4.920 4.527 -0.000 0.000 0.332 397 F C -1.834 174.065 175.800 0.165 0.000 1.093 397 F CA -2.375 55.751 58.000 0.209 0.000 1.003 397 F CB 1.093 40.297 39.000 0.339 0.000 1.151 397 F HN 0.342 nan 8.300 nan 0.000 0.474 398 P HA 0.179 nan 4.420 nan 0.000 0.274 398 P C -0.608 176.829 177.300 0.228 0.000 1.237 398 P CA -0.372 62.857 63.100 0.214 0.000 0.793 398 P CB 0.921 32.716 31.700 0.159 0.000 0.977 399 T N -0.471 114.171 114.554 0.145 0.000 2.907 399 T HA 0.668 5.018 4.350 -0.001 0.000 0.284 399 T C -0.261 174.467 174.700 0.048 0.000 1.004 399 T CA -0.797 61.381 62.100 0.129 0.000 1.063 399 T CB 1.030 69.953 68.868 0.091 0.000 0.992 399 T HN 0.461 nan 8.240 nan 0.000 0.483 400 L N 1.780 123.029 121.223 0.044 0.000 2.445 400 L HA 0.718 5.057 4.340 -0.001 0.000 0.262 400 L C -0.677 176.182 176.870 -0.018 0.000 0.974 400 L CA -0.436 54.322 54.840 -0.136 0.000 0.822 400 L CB 2.196 43.931 42.059 -0.540 0.000 1.339 400 L HN 1.107 nan 8.230 nan 0.000 0.409 401 S N 2.497 118.142 115.700 -0.093 0.000 2.599 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.287 401 S C -0.330 174.194 174.600 -0.126 0.000 1.105 401 S CA -0.015 58.186 58.200 0.002 0.000 0.899 401 S CB 2.074 65.245 63.200 -0.048 0.000 1.100 401 S HN 1.670 nan 8.310 nan 0.000 0.482 402 G N 1.057 109.843 108.800 -0.025 0.000 2.343 402 G HA2 0.320 4.280 3.960 -0.001 0.000 0.562 402 G HA3 0.320 4.280 3.960 -0.001 0.000 0.562 402 G C -1.747 173.055 174.900 -0.163 0.000 1.269 402 G CA -0.017 44.972 45.100 -0.186 0.000 1.011 402 G HN 1.266 nan 8.290 nan 0.000 0.498 403 D N -1.766 118.410 120.400 -0.373 0.000 2.654 403 D HA 0.760 5.399 4.640 -0.001 0.000 0.255 403 D C -0.588 175.212 176.300 -0.834 0.000 1.101 403 D CA -1.049 52.748 54.000 -0.339 0.000 1.116 403 D CB 1.070 41.856 40.800 -0.022 0.000 1.348 403 D HN 0.388 nan 8.370 nan 0.000 0.609 404 F N -0.531 119.293 119.950 -0.210 0.000 2.679 404 F HA 0.393 4.919 4.527 -0.001 0.000 0.354 404 F C -0.953 174.667 175.800 -0.299 0.000 1.423 404 F CA -0.652 57.224 58.000 -0.207 0.000 1.141 404 F CB 0.175 39.083 39.000 -0.154 0.000 1.168 404 F HN -0.000 nan 8.300 nan 0.000 0.530 405 F N -0.689 119.444 119.950 0.305 0.000 2.538 405 F HA 0.572 5.098 4.527 -0.001 0.000 0.325 405 F C 0.649 176.711 175.800 0.436 0.000 1.066 405 F CA -1.384 56.865 58.000 0.414 0.000 0.946 405 F CB 1.508 40.748 39.000 0.400 0.000 1.199 405 F HN -0.279 nan 8.300 nan 0.000 0.473 406 T N 1.800 116.744 114.554 0.650 0.000 2.806 406 T HA 0.154 4.503 4.350 -0.001 0.000 0.290 406 T C -0.930 174.235 174.700 0.775 0.000 0.966 406 T CA -0.187 62.360 62.100 0.745 0.000 1.060 406 T CB 0.108 69.284 68.868 0.514 0.000 0.927 406 T HN 0.366 nan 8.240 nan 0.000 0.485 407 Y N 3.070 123.691 120.300 0.536 0.000 2.511 407 Y HA 0.401 4.951 4.550 -0.001 0.000 0.332 407 Y C -0.121 175.822 175.900 0.072 0.000 1.177 407 Y CA -1.164 57.077 58.100 0.235 0.000 1.422 407 Y CB 0.060 38.532 38.460 0.021 0.000 1.271 407 Y HN 0.674 nan 8.280 nan 0.000 0.550 408 A N 5.259 127.702 122.820 -0.629 0.000 2.374 408 A HA 0.371 4.691 4.320 -0.001 0.000 0.305 408 A C -0.010 177.022 177.584 -0.920 0.000 1.053 408 A CA -0.266 51.212 52.037 -0.932 0.000 0.726 408 A CB 0.673 18.827 19.000 -1.410 0.000 1.229 408 A HN 0.799 nan 8.150 nan 0.000 0.431 409 D N 1.594 121.561 120.400 -0.722 0.000 2.346 409 D HA 0.049 4.689 4.640 -0.001 0.000 0.206 409 D C 0.526 176.852 176.300 0.044 0.000 1.001 409 D CA 0.556 54.384 54.000 -0.285 0.000 0.871 409 D CB 0.151 40.857 40.800 -0.157 0.000 0.943 409 D HN 0.728 nan 8.370 nan 0.000 0.518 410 R N -2.369 118.096 120.500 -0.059 0.000 2.687 410 R HA 0.406 4.746 4.340 -0.001 0.000 0.265 410 R C -0.224 175.981 176.300 -0.158 0.000 1.048 410 R CA -0.208 55.710 56.100 -0.302 0.000 0.884 410 R CB 0.756 30.946 30.300 -0.183 0.000 1.258 410 R HN -0.106 nan 8.270 nan 0.000 0.469 411 S N 0.241 115.799 115.700 -0.237 0.000 3.938 411 S HA -0.286 4.183 4.470 -0.001 0.000 0.624 411 S C 0.377 175.059 174.600 0.136 0.000 2.186 411 S CA 1.886 60.081 58.200 -0.008 0.000 4.144 411 S CB -1.066 62.115 63.200 -0.032 0.000 0.230 411 S HN 1.090 nan 8.310 nan 0.000 0.755 412 D N 1.353 121.822 120.400 0.116 0.000 2.388 412 D HA 0.192 4.832 4.640 -0.001 0.000 0.221 412 D C 0.054 176.466 176.300 0.186 0.000 1.133 412 D CA -0.122 54.013 54.000 0.224 0.000 0.831 412 D CB -1.431 39.483 40.800 0.191 0.000 0.962 412 D HN 0.507 nan 8.370 nan 0.000 0.502 413 N N 0.962 119.675 118.700 0.022 0.000 2.739 413 N HA 0.043 4.783 4.740 -0.001 0.000 0.266 413 N C -0.906 174.623 175.510 0.032 0.000 1.168 413 N CA -0.298 52.765 53.050 0.021 0.000 1.055 413 N CB 0.112 38.594 38.487 -0.009 0.000 1.393 413 N HN 0.142 nan 8.380 nan 0.000 0.514 414 Y N 0.242 120.627 120.300 0.142 0.000 2.316 414 Y HA 0.107 4.657 4.550 -0.001 0.000 0.331 414 Y C 0.105 176.199 175.900 0.324 0.000 1.083 414 Y CA -0.670 57.575 58.100 0.241 0.000 1.206 414 Y CB 0.539 39.092 38.460 0.155 0.000 1.195 414 Y HN 0.389 nan 8.280 nan 0.000 0.497 415 W N 2.524 123.946 121.300 0.205 0.000 1.603 415 W HA 0.235 4.895 4.660 -0.001 0.000 0.392 415 W C 0.786 177.348 176.519 0.071 0.000 0.661 415 W CA -0.634 56.859 57.345 0.246 0.000 2.021 415 W CB -0.466 29.234 29.460 0.401 0.000 1.759 415 W HN 0.551 nan 8.180 nan 0.000 0.334 416 S N -2.020 113.716 115.700 0.059 0.000 2.540 416 S HA 0.135 4.604 4.470 -0.001 0.000 0.218 416 S C 1.937 176.274 174.600 -0.439 0.000 0.977 416 S CA 0.307 58.183 58.200 -0.539 0.000 0.918 416 S CB 0.197 63.393 63.200 -0.006 0.000 0.806 416 S HN 0.346 nan 8.310 nan 0.000 0.496 417 G N 2.044 110.782 108.800 -0.103 0.000 2.422 417 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 417 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 417 G C 1.256 176.137 174.900 -0.032 0.000 1.146 417 G CA 0.929 45.980 45.100 -0.082 0.000 0.769 417 G HN 0.795 nan 8.290 nan 0.000 0.547 418 Y N -0.505 119.769 120.300 -0.043 0.000 2.616 418 Y HA 0.158 4.708 4.550 -0.001 0.000 0.296 418 Y C 1.822 177.846 175.900 0.208 0.000 1.154 418 Y CA -0.375 57.777 58.100 0.088 0.000 1.325 418 Y CB -0.375 38.219 38.460 0.223 0.000 1.007 418 Y HN 0.178 nan 8.280 nan 0.000 0.542 419 Y N 0.632 120.713 120.300 -0.366 0.000 2.497 419 Y HA -0.034 4.515 4.550 -0.001 0.000 0.292 419 Y C 1.722 177.570 175.900 -0.087 0.000 1.137 419 Y CA 0.664 58.584 58.100 -0.301 0.000 1.285 419 Y CB -0.743 37.577 38.460 -0.233 0.000 0.991 419 Y HN 0.304 nan 8.280 nan 0.000 0.556 420 T N -2.744 111.876 114.554 0.110 0.000 2.980 420 T HA 0.083 4.432 4.350 -0.001 0.000 0.252 420 T C 0.715 175.501 174.700 0.142 0.000 0.962 420 T CA -0.070 62.095 62.100 0.109 0.000 0.932 420 T CB 0.033 68.934 68.868 0.055 0.000 1.188 420 T HN -0.065 nan 8.240 nan 0.000 0.500 421 S N 2.440 118.222 115.700 0.138 0.000 2.558 421 S HA 0.211 4.681 4.470 -0.001 0.000 0.293 421 S C 0.400 175.132 174.600 0.221 0.000 1.292 421 S CA -0.005 58.287 58.200 0.154 0.000 1.063 421 S CB 0.107 63.385 63.200 0.129 0.000 0.831 421 S HN 0.403 nan 8.310 nan 0.000 0.499 422 R N 0.906 121.553 120.500 0.246 0.000 3.209 422 R HA -0.118 4.222 4.340 -0.001 0.000 0.252 422 R C -2.054 174.494 176.300 0.413 0.000 0.958 422 R CA 0.683 57.002 56.100 0.365 0.000 0.651 422 R CB -1.872 28.669 30.300 0.402 0.000 1.142 422 R HN 0.503 nan 8.270 nan 0.000 0.441 423 P HA -0.210 nan 4.420 nan 0.000 0.223 423 P C 1.116 178.628 177.300 0.354 0.000 1.151 423 P CA 0.915 64.232 63.100 0.361 0.000 0.787 423 P CB -0.013 31.941 31.700 0.424 0.000 0.788 424 Y N 1.537 121.931 120.300 0.157 0.000 2.128 424 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 424 Y C 2.297 178.188 175.900 -0.014 0.000 1.154 424 Y CA 2.095 60.205 58.100 0.017 0.000 1.149 424 Y CB -0.936 37.407 38.460 -0.195 0.000 0.976 424 Y HN 0.064 nan 8.280 nan 0.000 0.505 425 H N -0.850 118.465 119.070 0.408 0.000 2.470 425 H HA 0.012 4.567 4.556 -0.001 0.000 0.289 425 H C 2.046 177.523 175.328 0.250 0.000 1.033 425 H CA 1.262 57.474 56.048 0.273 0.000 1.331 425 H CB -0.072 29.918 29.762 0.379 0.000 1.414 425 H HN 0.250 nan 8.280 nan 0.000 0.545 426 K N 0.376 120.997 120.400 0.368 0.000 2.063 426 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 426 K C 2.258 178.918 176.600 0.100 0.000 1.048 426 K CA 1.311 57.751 56.287 0.255 0.000 0.928 426 K CB 0.047 32.674 32.500 0.211 0.000 0.713 426 K HN 0.032 nan 8.250 nan 0.000 0.442 427 R N 1.395 121.927 120.500 0.052 0.000 2.075 427 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 427 R C 2.085 178.159 176.300 -0.376 0.000 1.126 427 R CA 1.500 57.562 56.100 -0.063 0.000 0.963 427 R CB -0.461 29.892 30.300 0.088 0.000 0.858 427 R HN 0.167 nan 8.270 nan 0.000 0.435 428 M N 0.294 119.542 119.600 -0.586 0.000 2.149 428 M HA -0.223 4.256 4.480 -0.001 0.000 0.261 428 M C 1.489 177.481 176.300 -0.514 0.000 1.064 428 M CA 2.460 57.188 55.300 -0.953 0.000 1.102 428 M CB -0.361 31.851 32.600 -0.647 0.000 1.369 428 M HN 0.300 nan 8.290 nan 0.000 0.408 429 D N -0.313 119.964 120.400 -0.205 0.000 2.116 429 D HA -0.224 4.416 4.640 -0.001 0.000 0.193 429 D C 1.893 178.120 176.300 -0.122 0.000 0.998 429 D CA 1.498 55.474 54.000 -0.039 0.000 0.836 429 D CB 0.104 41.023 40.800 0.198 0.000 0.951 429 D HN 0.219 nan 8.370 nan 0.000 0.449 430 R N 0.025 120.430 120.500 -0.157 0.000 2.115 430 R HA -0.012 4.328 4.340 -0.001 0.000 0.226 430 R C 2.420 178.585 176.300 -0.225 0.000 1.100 430 R CA 0.427 56.425 56.100 -0.169 0.000 0.980 430 R CB -0.927 29.290 30.300 -0.138 0.000 0.875 430 R HN 0.266 nan 8.270 nan 0.000 0.445 431 V N 1.445 121.159 119.914 -0.333 0.000 2.270 431 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 431 V C 2.355 178.349 176.094 -0.166 0.000 1.043 431 V CA 1.486 63.589 62.300 -0.328 0.000 1.014 431 V CB -0.572 30.857 31.823 -0.657 0.000 0.645 431 V HN 0.138 nan 8.190 nan 0.000 0.447 432 L N -0.374 120.730 121.223 -0.199 0.000 2.093 432 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 432 L C 2.303 179.127 176.870 -0.078 0.000 1.085 432 L CA 1.989 56.780 54.840 -0.081 0.000 0.755 432 L CB -0.686 41.298 42.059 -0.125 0.000 0.904 432 L HN 0.329 nan 8.230 nan 0.000 0.435 433 M N -1.271 118.255 119.600 -0.123 0.000 2.082 433 M HA -0.336 4.143 4.480 -0.001 0.000 0.258 433 M C 2.376 178.577 176.300 -0.164 0.000 1.069 433 M CA 2.445 57.654 55.300 -0.151 0.000 1.102 433 M CB -0.405 32.072 32.600 -0.205 0.000 1.336 433 M HN 0.565 nan 8.290 nan 0.000 0.404 434 H N -0.765 118.146 119.070 -0.264 0.000 2.363 434 H HA -0.149 4.406 4.556 -0.001 0.000 0.301 434 H C 1.435 176.605 175.328 -0.262 0.000 1.074 434 H CA 2.307 58.170 56.048 -0.308 0.000 1.354 434 H CB -0.341 29.161 29.762 -0.434 0.000 1.397 434 H HN 0.479 nan 8.280 nan 0.000 0.516 435 Y N -0.502 119.660 120.300 -0.231 0.000 2.293 435 Y HA -0.127 4.423 4.550 -0.001 0.000 0.291 435 Y C 2.696 178.478 175.900 -0.196 0.000 1.137 435 Y CA 1.077 59.042 58.100 -0.224 0.000 1.202 435 Y CB -0.501 37.891 38.460 -0.112 0.000 0.990 435 Y HN 0.118 nan 8.280 nan 0.000 0.537 436 V N 0.148 120.036 119.914 -0.044 0.000 2.307 436 V HA -0.303 3.816 4.120 -0.001 0.000 0.245 436 V C 2.539 178.572 176.094 -0.101 0.000 1.045 436 V CA 2.175 64.433 62.300 -0.069 0.000 1.024 436 V CB -0.569 31.205 31.823 -0.081 0.000 0.651 436 V HN 0.306 nan 8.190 nan 0.000 0.449 437 R N 0.414 120.821 120.500 -0.156 0.000 2.083 437 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 437 R C 2.253 178.492 176.300 -0.101 0.000 1.137 437 R CA 1.929 57.948 56.100 -0.135 0.000 0.951 437 R CB -0.508 29.697 30.300 -0.159 0.000 0.851 437 R HN 0.460 nan 8.270 nan 0.000 0.434 438 A N 0.632 123.343 122.820 -0.181 0.000 1.930 438 A HA -0.051 4.269 4.320 -0.001 0.000 0.217 438 A C 2.369 179.960 177.584 0.011 0.000 1.175 438 A CA 1.583 53.606 52.037 -0.023 0.000 0.627 438 A CB -0.726 18.227 19.000 -0.077 0.000 0.815 438 A HN 0.578 nan 8.150 nan 0.000 0.443 439 A N -0.120 122.697 122.820 -0.006 0.000 1.898 439 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 439 A C 1.932 179.491 177.584 -0.042 0.000 1.181 439 A CA 1.548 53.577 52.037 -0.013 0.000 0.620 439 A CB -0.514 18.473 19.000 -0.022 0.000 0.819 439 A HN 0.618 nan 8.150 nan 0.000 0.442 440 E N -0.963 119.204 120.200 -0.055 0.000 2.077 440 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 440 E C 2.062 178.613 176.600 -0.082 0.000 0.989 440 E CA 1.392 57.748 56.400 -0.075 0.000 0.800 440 E CB -0.262 29.391 29.700 -0.079 0.000 0.746 440 E HN 0.749 nan 8.360 nan 0.000 0.452 441 M N 0.709 120.284 119.600 -0.042 0.000 2.077 441 M HA -0.142 4.338 4.480 -0.001 0.000 0.261 441 M C 2.181 178.492 176.300 0.019 0.000 1.070 441 M CA 1.327 56.604 55.300 -0.038 0.000 1.125 441 M CB 0.045 32.715 32.600 0.117 0.000 1.339 441 M HN 0.075 nan 8.290 nan 0.000 0.409 442 L N 0.048 121.337 121.223 0.109 0.000 2.083 442 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 442 L C 2.625 179.669 176.870 0.291 0.000 1.083 442 L CA 1.724 56.687 54.840 0.205 0.000 0.752 442 L CB -0.522 41.517 42.059 -0.034 0.000 0.899 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -0.994 114.797 115.700 0.151 0.000 2.527 443 S HA 0.064 4.534 4.470 -0.001 0.000 0.222 443 S C 1.959 176.741 174.600 0.303 0.000 0.985 443 S CA 0.393 58.752 58.200 0.264 0.000 0.921 443 S CB 0.020 63.181 63.200 -0.066 0.000 0.772 443 S HN 0.298 nan 8.310 nan 0.000 0.529 444 A N 0.903 123.727 122.820 0.006 0.000 2.015 444 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 444 A C 1.691 179.173 177.584 -0.171 0.000 1.163 444 A CA 0.733 52.672 52.037 -0.164 0.000 0.646 444 A CB -1.163 17.590 19.000 -0.413 0.000 0.806 444 A HN 0.755 nan 8.150 nan 0.000 0.448 445 W N -0.556 120.755 121.300 0.019 0.000 2.392 445 W HA -0.029 4.630 4.660 -0.001 0.000 0.279 445 W C 0.877 177.189 176.519 -0.345 0.000 1.225 445 W CA 1.060 58.315 57.345 -0.151 0.000 1.233 445 W CB -0.184 29.138 29.460 -0.229 0.000 1.122 445 W HN 0.398 nan 8.180 nan 0.000 0.561 446 H N -2.266 116.868 119.070 0.106 0.000 2.771 446 H HA 0.380 4.936 4.556 -0.001 0.000 0.367 446 H C -0.276 174.964 175.328 -0.148 0.000 1.172 446 H CA -0.942 55.011 56.048 -0.158 0.000 1.186 446 H CB 1.538 30.962 29.762 -0.564 0.000 1.790 446 H HN -0.429 nan 8.280 nan 0.000 0.556 447 S N 0.881 116.549 115.700 -0.053 0.000 2.562 447 S HA 0.189 4.658 4.470 -0.001 0.000 0.275 447 S C -1.088 173.409 174.600 -0.171 0.000 1.281 447 S CA -0.592 57.597 58.200 -0.019 0.000 1.045 447 S CB 0.222 63.420 63.200 -0.004 0.000 0.962 447 S HN 0.328 nan 8.310 nan 0.000 0.503 448 W N 1.265 122.568 121.300 0.004 0.000 2.632 448 W HA 0.353 5.012 4.660 -0.001 0.000 0.328 448 W C 0.019 176.496 176.519 -0.070 0.000 1.044 448 W CA -0.930 56.390 57.345 -0.042 0.000 1.225 448 W CB 0.556 29.960 29.460 -0.095 0.000 1.396 448 W HN 0.569 nan 8.180 nan 0.000 0.499 449 D N 0.816 121.296 120.400 0.133 0.000 2.449 449 D HA 0.149 4.789 4.640 -0.001 0.000 0.236 449 D C 1.669 177.968 176.300 -0.002 0.000 1.149 449 D CA 1.193 55.230 54.000 0.063 0.000 0.878 449 D CB 1.221 42.079 40.800 0.097 0.000 1.198 449 D HN 0.553 nan 8.370 nan 0.000 0.446 450 G N 2.756 111.562 108.800 0.011 0.000 2.475 450 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.220 450 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.220 450 G C 1.411 176.283 174.900 -0.047 0.000 1.125 450 G CA 0.551 45.644 45.100 -0.011 0.000 0.755 450 G HN 0.573 nan 8.290 nan 0.000 0.565 451 M N 0.677 120.260 119.600 -0.029 0.000 2.267 451 M HA -0.051 4.428 4.480 -0.001 0.000 0.263 451 M C 2.891 179.100 176.300 -0.151 0.000 1.063 451 M CA 1.177 56.482 55.300 0.007 0.000 1.090 451 M CB -0.168 32.538 32.600 0.177 0.000 1.392 451 M HN 0.355 nan 8.290 nan 0.000 0.422 452 A N -0.038 122.455 122.820 -0.546 0.000 2.119 452 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 452 A C 1.194 178.568 177.584 -0.349 0.000 1.153 452 A CA 0.625 52.128 52.037 -0.889 0.000 0.692 452 A CB -0.315 18.032 19.000 -1.088 0.000 0.799 452 A HN 0.586 nan 8.150 nan 0.000 0.458 453 R N -1.900 118.473 120.500 -0.212 0.000 3.651 453 R HA -0.173 4.166 4.340 -0.001 0.000 0.292 453 R C 0.644 176.837 176.300 -0.177 0.000 1.161 453 R CA 0.719 56.739 56.100 -0.133 0.000 0.787 453 R CB -2.148 28.108 30.300 -0.074 0.000 1.249 453 R HN 0.476 nan 8.270 nan 0.000 0.476 454 I N 0.513 120.927 120.570 -0.259 0.000 2.193 454 I HA -0.176 3.993 4.170 -0.001 0.000 0.240 454 I C 2.135 178.131 176.117 -0.202 0.000 1.084 454 I CA 1.647 62.747 61.300 -0.333 0.000 1.365 454 I CB -0.668 36.978 38.000 -0.590 0.000 1.064 454 I HN 0.198 nan 8.210 nan 0.000 0.410 455 E N 0.734 120.852 120.200 -0.136 0.000 2.110 455 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 455 E C 2.083 178.639 176.600 -0.073 0.000 0.988 455 E CA 1.200 57.549 56.400 -0.085 0.000 0.804 455 E CB -0.232 29.440 29.700 -0.046 0.000 0.745 455 E HN 0.477 nan 8.360 nan 0.000 0.458 456 E N 0.482 120.641 120.200 -0.069 0.000 2.038 456 E HA -0.266 4.084 4.350 -0.001 0.000 0.195 456 E C 1.954 178.516 176.600 -0.063 0.000 1.000 456 E CA 1.144 57.513 56.400 -0.053 0.000 0.803 456 E CB 0.079 29.752 29.700 -0.044 0.000 0.750 456 E HN -0.026 nan 8.360 nan 0.000 0.448 457 R N 0.236 120.686 120.500 -0.083 0.000 2.092 457 R HA -0.005 4.335 4.340 -0.001 0.000 0.231 457 R C 2.384 178.633 176.300 -0.085 0.000 1.119 457 R CA 0.920 56.971 56.100 -0.081 0.000 0.970 457 R CB -0.416 29.828 30.300 -0.094 0.000 0.864 457 R HN 0.285 nan 8.270 nan 0.000 0.440 458 L N -0.214 120.949 121.223 -0.100 0.000 2.109 458 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 458 L C 2.356 179.171 176.870 -0.092 0.000 1.086 458 L CA 1.350 56.133 54.840 -0.096 0.000 0.760 458 L CB -0.397 41.600 42.059 -0.105 0.000 0.910 458 L HN 0.290 nan 8.230 nan 0.000 0.437 459 E N 0.210 120.359 120.200 -0.084 0.000 2.077 459 E HA -0.307 4.042 4.350 -0.001 0.000 0.193 459 E C 2.204 178.740 176.600 -0.107 0.000 0.989 459 E CA 1.358 57.703 56.400 -0.093 0.000 0.800 459 E CB -0.009 29.657 29.700 -0.056 0.000 0.746 459 E HN 0.428 nan 8.360 nan 0.000 0.452 460 Q N 0.050 119.805 119.800 -0.075 0.000 2.061 460 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 460 Q C 2.094 178.050 176.000 -0.072 0.000 0.984 460 Q CA 1.748 57.514 55.803 -0.062 0.000 0.846 460 Q CB -0.251 28.462 28.738 -0.041 0.000 0.902 460 Q HN 0.351 nan 8.270 nan 0.000 0.421 461 A N 1.046 123.822 122.820 -0.074 0.000 1.902 461 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 461 A C 2.094 179.624 177.584 -0.090 0.000 1.181 461 A CA 1.449 53.444 52.037 -0.070 0.000 0.623 461 A CB -0.511 18.450 19.000 -0.066 0.000 0.818 461 A HN 0.386 nan 8.150 nan 0.000 0.443 462 R N -0.796 119.631 120.500 -0.122 0.000 2.096 462 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 462 R C 2.426 178.588 176.300 -0.230 0.000 1.127 462 R CA 1.575 57.579 56.100 -0.159 0.000 0.968 462 R CB -0.261 29.933 30.300 -0.178 0.000 0.861 462 R HN 0.491 nan 8.270 nan 0.000 0.440 463 R N 0.197 120.533 120.500 -0.274 0.000 2.090 463 R HA -0.053 4.286 4.340 -0.001 0.000 0.228 463 R C 2.040 178.286 176.300 -0.091 0.000 1.110 463 R CA 0.847 56.717 56.100 -0.383 0.000 0.973 463 R CB 0.054 30.148 30.300 -0.344 0.000 0.869 463 R HN 0.176 nan 8.270 nan 0.000 0.440 464 E N 0.811 120.991 120.200 -0.032 0.000 2.107 464 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 464 E C 1.960 178.603 176.600 0.071 0.000 0.982 464 E CA 0.707 57.135 56.400 0.046 0.000 0.809 464 E CB -0.191 29.525 29.700 0.028 0.000 0.756 464 E HN 0.145 nan 8.360 nan 0.000 0.459 465 L N 1.237 122.471 121.223 0.017 0.000 2.056 465 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 465 L C 2.155 179.078 176.870 0.088 0.000 1.078 465 L CA 1.599 56.467 54.840 0.046 0.000 0.749 465 L CB -0.619 41.433 42.059 -0.012 0.000 0.901 465 L HN -0.100 nan 8.230 nan 0.000 0.433 466 S N -0.383 115.334 115.700 0.028 0.000 2.368 466 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 466 S C 1.856 176.600 174.600 0.241 0.000 1.030 466 S CA 1.582 59.829 58.200 0.078 0.000 0.999 466 S CB -0.598 62.549 63.200 -0.089 0.000 0.844 466 S HN 0.458 nan 8.310 nan 0.000 0.459 467 L N 0.658 122.069 121.223 0.313 0.000 2.042 467 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 467 L C 1.899 178.883 176.870 0.189 0.000 1.076 467 L CA 1.632 56.655 54.840 0.305 0.000 0.749 467 L CB -0.590 41.628 42.059 0.264 0.000 0.893 467 L HN 0.290 nan 8.230 nan 0.000 0.432 468 F N -0.272 119.660 119.950 -0.030 0.000 2.451 468 F HA -0.139 4.387 4.527 -0.001 0.000 0.299 468 F C 2.207 177.933 175.800 -0.123 0.000 1.101 468 F CA 0.869 58.739 58.000 -0.216 0.000 1.436 468 F CB -0.234 38.676 39.000 -0.150 0.000 1.074 468 F HN 0.250 nan 8.300 nan 0.000 0.553 469 Q N -0.363 119.407 119.800 -0.050 0.000 2.437 469 Q HA -0.158 4.181 4.340 -0.001 0.000 0.210 469 Q C 0.567 176.507 176.000 -0.099 0.000 0.972 469 Q CA 0.516 56.264 55.803 -0.092 0.000 0.903 469 Q CB -1.359 27.394 28.738 0.025 0.000 0.967 469 Q HN 0.509 nan 8.270 nan 0.000 0.486 470 H N 1.982 120.939 119.070 -0.188 0.000 3.073 470 H HA -0.113 4.443 4.556 -0.001 0.000 0.340 470 H C 1.342 176.518 175.328 -0.253 0.000 1.054 470 H CA 0.739 56.674 56.048 -0.188 0.000 1.372 470 H CB 0.553 30.223 29.762 -0.155 0.000 1.314 470 H HN 0.243 nan 8.280 nan 0.000 0.603 471 H N 1.984 120.628 119.070 -0.709 0.000 2.563 471 H HA -0.011 4.544 4.556 -0.001 0.000 0.272 471 H C -0.319 174.559 175.328 -0.751 0.000 1.005 471 H CA 0.731 56.321 56.048 -0.764 0.000 1.171 471 H CB 0.296 29.612 29.762 -0.744 0.000 1.351 471 H HN 0.608 nan 8.280 nan 0.000 0.602 472 D N 0.398 120.098 120.400 -1.166 0.000 2.469 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.215 472 D C 1.621 177.902 176.300 -0.033 0.000 1.154 472 D CA 0.313 54.163 54.000 -0.250 0.000 0.832 472 D CB 0.836 41.720 40.800 0.140 0.000 1.008 472 D HN 0.528 nan 8.370 nan 0.000 0.506 473 G N 1.300 109.873 108.800 -0.378 0.000 2.618 473 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.222 473 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.222 473 G C 1.355 175.678 174.900 -0.962 0.000 1.520 473 G CA -0.213 44.410 45.100 -0.794 0.000 0.930 473 G HN 0.196 nan 8.290 nan 0.000 0.547 474 I N 1.977 121.692 120.570 -1.425 0.000 2.423 474 I HA -0.193 3.977 4.170 -0.001 0.000 0.254 474 I C 2.905 178.925 176.117 -0.161 0.000 1.151 474 I CA 2.087 62.864 61.300 -0.873 0.000 1.421 474 I CB -0.051 37.615 38.000 -0.557 0.000 1.079 474 I HN 0.385 nan 8.210 nan 0.000 0.431 475 T N -1.650 112.857 114.554 -0.079 0.000 3.007 475 T HA 0.007 4.357 4.350 -0.001 0.000 0.270 475 T C 1.554 176.394 174.700 0.233 0.000 1.107 475 T CA 0.669 62.908 62.100 0.232 0.000 1.118 475 T CB -0.557 68.447 68.868 0.227 0.000 0.889 475 T HN 0.649 nan 8.240 nan 0.000 0.506 476 G N 1.376 110.269 108.800 0.155 0.000 2.176 476 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 476 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 476 G C 0.561 175.531 174.900 0.115 0.000 1.024 476 G CA 0.669 45.882 45.100 0.188 0.000 0.755 476 G HN 1.158 nan 8.290 nan 0.000 0.507 477 T N -3.390 111.224 114.554 0.100 0.000 3.174 477 T HA 0.736 5.086 4.350 -0.001 0.000 0.269 477 T C 0.868 175.758 174.700 0.318 0.000 1.017 477 T CA 1.037 63.128 62.100 -0.016 0.000 0.899 477 T CB 0.987 69.642 68.868 -0.354 0.000 1.077 477 T HN 1.564 nan 8.240 nan 0.000 0.552 478 A N 1.322 124.348 122.820 0.343 0.000 2.281 478 A HA 0.681 5.001 4.320 -0.001 0.000 0.329 478 A C 0.192 177.877 177.584 0.170 0.000 1.122 478 A CA -0.939 51.333 52.037 0.392 0.000 0.850 478 A CB 0.835 20.103 19.000 0.448 0.000 1.207 478 A HN 0.397 nan 8.150 nan 0.000 0.495 479 K N -0.071 120.359 120.400 0.049 0.000 2.336 479 K HA 0.122 4.441 4.320 -0.001 0.000 0.262 479 K C 1.076 177.684 176.600 0.014 0.000 0.992 479 K CA 0.375 56.667 56.287 0.010 0.000 0.927 479 K CB 0.340 32.834 32.500 -0.011 0.000 0.956 479 K HN 0.741 nan 8.250 nan 0.000 0.495 480 T N 1.476 116.068 114.554 0.065 0.000 2.653 480 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 480 T C 1.680 176.416 174.700 0.059 0.000 1.035 480 T CA 1.875 64.017 62.100 0.070 0.000 1.154 480 T CB -0.419 68.498 68.868 0.082 0.000 0.862 480 T HN 0.694 nan 8.240 nan 0.000 0.441 481 H N 0.509 119.573 119.070 -0.009 0.000 2.491 481 H HA 0.085 4.641 4.556 -0.001 0.000 0.290 481 H C 2.028 177.333 175.328 -0.039 0.000 1.050 481 H CA 0.932 56.968 56.048 -0.021 0.000 1.309 481 H CB -0.771 28.970 29.762 -0.034 0.000 1.392 481 H HN 0.284 nan 8.280 nan 0.000 0.554 482 V N 1.163 120.746 119.914 -0.553 0.000 2.407 482 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 482 V C 3.043 178.967 176.094 -0.283 0.000 1.041 482 V CA 1.066 63.069 62.300 -0.495 0.000 1.040 482 V CB -0.437 31.135 31.823 -0.418 0.000 0.671 482 V HN 0.231 nan 8.190 nan 0.000 0.455 483 V N 0.104 119.982 119.914 -0.059 0.000 2.332 483 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 483 V C 2.463 178.551 176.094 -0.009 0.000 1.055 483 V CA 2.008 64.331 62.300 0.038 0.000 1.038 483 V CB -0.580 31.221 31.823 -0.037 0.000 0.651 483 V HN 0.420 nan 8.190 nan 0.000 0.450 484 V N 0.376 120.289 119.914 -0.002 0.000 2.343 484 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 484 V C 2.296 178.417 176.094 0.046 0.000 1.051 484 V CA 2.410 64.740 62.300 0.050 0.000 1.036 484 V CB -0.688 31.171 31.823 0.059 0.000 0.654 484 V HN 0.651 nan 8.190 nan 0.000 0.451 485 D N -1.000 119.384 120.400 -0.027 0.000 2.097 485 D HA -0.209 4.430 4.640 -0.001 0.000 0.195 485 D C 2.007 178.330 176.300 0.039 0.000 0.989 485 D CA 1.545 55.524 54.000 -0.034 0.000 0.827 485 D CB -0.165 40.557 40.800 -0.129 0.000 0.966 485 D HN 0.483 nan 8.370 nan 0.000 0.456 486 Y N 0.998 121.349 120.300 0.084 0.000 2.181 486 Y HA -0.070 4.480 4.550 -0.001 0.000 0.288 486 Y C 2.448 178.340 175.900 -0.013 0.000 1.146 486 Y CA 1.317 59.467 58.100 0.082 0.000 1.164 486 Y CB -0.776 37.805 38.460 0.201 0.000 0.982 486 Y HN 0.149 nan 8.280 nan 0.000 0.515 487 E N 0.118 120.436 120.200 0.197 0.000 2.051 487 E HA -0.263 4.087 4.350 -0.001 0.000 0.192 487 E C 2.002 178.693 176.600 0.152 0.000 0.991 487 E CA 1.464 57.993 56.400 0.215 0.000 0.799 487 E CB -0.058 29.855 29.700 0.355 0.000 0.748 487 E HN 0.578 nan 8.360 nan 0.000 0.449 488 Q N -0.062 119.813 119.800 0.125 0.000 2.084 488 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 488 Q C 2.335 178.381 176.000 0.077 0.000 0.978 488 Q CA 1.412 57.271 55.803 0.093 0.000 0.844 488 Q CB -0.086 28.697 28.738 0.075 0.000 0.898 488 Q HN 0.197 nan 8.270 nan 0.000 0.426 489 R N 0.087 120.638 120.500 0.086 0.000 2.073 489 R HA -0.072 4.268 4.340 -0.001 0.000 0.234 489 R C 2.280 178.607 176.300 0.045 0.000 1.134 489 R CA 1.494 57.637 56.100 0.073 0.000 0.952 489 R CB -0.178 30.189 30.300 0.112 0.000 0.850 489 R HN 0.295 nan 8.270 nan 0.000 0.433 490 M N 0.005 119.622 119.600 0.029 0.000 2.229 490 M HA -0.166 4.314 4.480 -0.001 0.000 0.264 490 M C 2.297 178.600 176.300 0.005 0.000 1.063 490 M CA 1.323 56.609 55.300 -0.022 0.000 1.114 490 M CB -0.132 32.398 32.600 -0.117 0.000 1.387 490 M HN 0.043 nan 8.290 nan 0.000 0.420 491 Q N 0.956 120.788 119.800 0.053 0.000 2.084 491 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 491 Q C 1.719 177.736 176.000 0.028 0.000 0.978 491 Q CA 1.626 57.469 55.803 0.067 0.000 0.844 491 Q CB -0.098 28.698 28.738 0.096 0.000 0.898 491 Q HN 0.326 nan 8.270 nan 0.000 0.426 492 E N -0.135 120.079 120.200 0.023 0.000 2.110 492 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 492 E C 1.819 178.412 176.600 -0.013 0.000 0.988 492 E CA 1.162 57.565 56.400 0.006 0.000 0.804 492 E CB -0.478 29.230 29.700 0.013 0.000 0.745 492 E HN 0.456 nan 8.360 nan 0.000 0.458 493 A N 1.107 123.918 122.820 -0.015 0.000 1.902 493 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 493 A C 2.400 179.955 177.584 -0.048 0.000 1.181 493 A CA 1.065 53.083 52.037 -0.032 0.000 0.623 493 A CB -0.707 18.273 19.000 -0.032 0.000 0.818 493 A HN 0.190 nan 8.150 nan 0.000 0.443 494 L N -0.717 120.476 121.223 -0.051 0.000 2.046 494 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 494 L C 2.605 179.406 176.870 -0.115 0.000 1.077 494 L CA 1.748 56.531 54.840 -0.095 0.000 0.747 494 L CB -0.389 41.622 42.059 -0.079 0.000 0.896 494 L HN 0.361 nan 8.230 nan 0.000 0.432 495 K N -0.190 120.168 120.400 -0.069 0.000 2.097 495 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 495 K C 2.239 178.801 176.600 -0.062 0.000 1.050 495 K CA 1.234 57.482 56.287 -0.065 0.000 0.938 495 K CB -0.231 32.245 32.500 -0.039 0.000 0.718 495 K HN 0.283 nan 8.250 nan 0.000 0.442 496 A N 1.156 123.943 122.820 -0.055 0.000 1.877 496 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 496 A C 2.435 179.981 177.584 -0.064 0.000 1.186 496 A CA 1.557 53.561 52.037 -0.056 0.000 0.620 496 A CB -1.010 17.958 19.000 -0.054 0.000 0.822 496 A HN 0.408 nan 8.150 nan 0.000 0.443 497 C N -1.043 118.217 119.300 -0.068 0.000 2.429 497 C HA -0.116 4.344 4.460 -0.001 0.000 0.277 497 C C 2.866 177.827 174.990 -0.048 0.000 1.262 497 C CA 1.236 60.221 59.018 -0.054 0.000 1.733 497 C CB -1.294 26.427 27.740 -0.032 0.000 2.010 497 C HN 0.795 nan 8.230 nan 0.000 0.483 498 Q N 0.323 120.064 119.800 -0.097 0.000 2.061 498 Q HA -0.286 4.054 4.340 -0.001 0.000 0.204 498 Q C 2.167 178.182 176.000 0.025 0.000 0.984 498 Q CA 2.102 57.868 55.803 -0.062 0.000 0.846 498 Q CB -0.273 28.397 28.738 -0.114 0.000 0.902 498 Q HN 0.593 nan 8.270 nan 0.000 0.421 499 M N -0.186 119.409 119.600 -0.008 0.000 2.086 499 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 499 M C 1.842 178.146 176.300 0.007 0.000 1.067 499 M CA 1.552 56.858 55.300 0.010 0.000 1.116 499 M CB -0.421 32.168 32.600 -0.018 0.000 1.348 499 M HN 0.133 nan 8.290 nan 0.000 0.407 500 V N 0.217 120.101 119.914 -0.050 0.000 2.358 500 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 500 V C 2.431 178.495 176.094 -0.049 0.000 1.047 500 V CA 2.144 64.368 62.300 -0.128 0.000 1.035 500 V CB -0.699 31.026 31.823 -0.164 0.000 0.658 500 V HN 0.558 nan 8.190 nan 0.000 0.452 501 M N 0.265 119.894 119.600 0.048 0.000 2.080 501 M HA -0.264 4.216 4.480 -0.001 0.000 0.260 501 M C 2.388 178.763 176.300 0.126 0.000 1.068 501 M CA 2.436 57.818 55.300 0.138 0.000 1.109 501 M CB -0.470 32.325 32.600 0.325 0.000 1.342 501 M HN 0.546 nan 8.290 nan 0.000 0.405 502 Q N -0.212 119.732 119.800 0.239 0.000 2.123 502 Q HA -0.122 4.218 4.340 -0.001 0.000 0.199 502 Q C 1.814 178.001 176.000 0.313 0.000 0.966 502 Q CA 1.131 57.095 55.803 0.268 0.000 0.845 502 Q CB -0.628 28.367 28.738 0.429 0.000 0.907 502 Q HN 0.407 nan 8.270 nan 0.000 0.439 503 Q N 0.630 120.603 119.800 0.288 0.000 2.096 503 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 503 Q C 2.282 178.543 176.000 0.435 0.000 0.982 503 Q CA 1.775 57.822 55.803 0.407 0.000 0.850 503 Q CB -0.258 28.632 28.738 0.253 0.000 0.901 503 Q HN 0.514 nan 8.270 nan 0.000 0.422 504 S N 0.376 116.223 115.700 0.246 0.000 2.368 504 S HA -0.087 4.382 4.470 -0.001 0.000 0.224 504 S C 2.230 176.891 174.600 0.101 0.000 1.029 504 S CA 1.049 59.440 58.200 0.318 0.000 0.988 504 S CB -0.227 63.096 63.200 0.204 0.000 0.838 504 S HN 0.133 nan 8.310 nan 0.000 0.462 505 V N 0.994 120.845 119.914 -0.104 0.000 2.332 505 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 505 V C 2.032 178.126 176.094 -0.000 0.000 1.055 505 V CA 1.927 64.043 62.300 -0.306 0.000 1.038 505 V CB -0.814 30.421 31.823 -0.980 0.000 0.651 505 V HN 0.555 nan 8.190 nan 0.000 0.450 506 Y N 1.396 121.765 120.300 0.114 0.000 2.128 506 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 506 Y C 2.739 178.709 175.900 0.117 0.000 1.154 506 Y CA 2.246 60.489 58.100 0.239 0.000 1.149 506 Y CB -0.437 38.074 38.460 0.086 0.000 0.976 506 Y HN 0.102 nan 8.280 nan 0.000 0.505 507 R N -0.111 120.288 120.500 -0.169 0.000 2.075 507 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 507 R C 2.203 178.189 176.300 -0.522 0.000 1.126 507 R CA 1.667 57.309 56.100 -0.764 0.000 0.963 507 R CB -0.395 29.461 30.300 -0.740 0.000 0.858 507 R HN 0.465 nan 8.270 nan 0.000 0.435 508 L N 0.219 121.286 121.223 -0.259 0.000 2.291 508 L HA -0.066 4.273 4.340 -0.001 0.000 0.214 508 L C 1.415 178.172 176.870 -0.188 0.000 1.120 508 L CA 0.779 55.433 54.840 -0.311 0.000 0.799 508 L CB 0.118 41.830 42.059 -0.579 0.000 0.925 508 L HN 0.239 nan 8.230 nan 0.000 0.446 509 L N -1.402 119.810 121.223 -0.018 0.000 3.014 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.263 509 L C -0.149 176.815 176.870 0.156 0.000 1.207 509 L CA -0.111 54.811 54.840 0.137 0.000 1.017 509 L CB 0.557 42.846 42.059 0.383 0.000 1.360 509 L HN -0.015 nan 8.230 nan 0.000 0.560 510 T N 0.119 114.684 114.554 0.018 0.000 2.829 510 T HA 0.192 4.541 4.350 -0.001 0.000 0.280 510 T C -0.117 174.523 174.700 -0.100 0.000 0.999 510 T CA -0.551 61.550 62.100 0.003 0.000 0.983 510 T CB 2.364 71.213 68.868 -0.033 0.000 0.968 510 T HN 0.004 nan 8.240 nan 0.000 0.446 511 K N 3.731 124.088 120.400 -0.072 0.000 2.491 511 K HA -0.009 4.310 4.320 -0.001 0.000 0.279 511 K C -1.720 174.852 176.600 -0.046 0.000 1.026 511 K CA -1.115 55.133 56.287 -0.064 0.000 1.070 511 K CB 0.442 32.912 32.500 -0.051 0.000 0.887 511 K HN 0.186 nan 8.250 nan 0.000 0.481 512 P HA -0.202 nan 4.420 nan 0.000 0.216 512 P C 0.765 178.073 177.300 0.014 0.000 1.150 512 P CA 1.477 64.549 63.100 -0.047 0.000 0.843 512 P CB 0.166 31.834 31.700 -0.053 0.000 0.787 513 S N -2.229 113.475 115.700 0.006 0.000 2.607 513 S HA 0.048 4.517 4.470 -0.001 0.000 0.224 513 S C 1.679 176.293 174.600 0.025 0.000 0.969 513 S CA 0.511 58.719 58.200 0.014 0.000 0.927 513 S CB -1.099 62.102 63.200 0.002 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.754 119.840 120.570 0.040 0.000 3.339 514 I HA 0.196 4.365 4.170 -0.001 0.000 0.285 514 I C 0.625 176.799 176.117 0.094 0.000 1.201 514 I CA -0.352 60.982 61.300 0.057 0.000 1.434 514 I CB -0.071 37.963 38.000 0.057 0.000 1.152 514 I HN 0.262 nan 8.210 nan 0.000 0.443 515 Y N 2.765 123.021 120.300 -0.073 0.000 2.802 515 Y HA -0.054 4.495 4.550 -0.001 0.000 0.333 515 Y C 0.472 176.346 175.900 -0.043 0.000 1.244 515 Y CA 0.047 58.059 58.100 -0.148 0.000 1.558 515 Y CB 0.401 38.689 38.460 -0.286 0.000 1.233 515 Y HN -0.115 nan 8.280 nan 0.000 0.547 516 S N 8.750 124.260 115.700 -0.317 0.000 2.317 516 S HA 0.354 4.823 4.470 -0.001 0.000 0.144 516 S C -2.891 171.523 174.600 -0.311 0.000 1.660 516 S CA -1.200 56.818 58.200 -0.304 0.000 1.273 516 S CB -0.093 63.044 63.200 -0.106 0.000 1.330 516 S HN 0.641 nan 8.310 nan 0.000 0.395 517 P HA 0.314 nan 4.420 nan 0.000 0.280 517 P C -1.086 175.959 177.300 -0.425 0.000 1.244 517 P CA -0.171 62.703 63.100 -0.376 0.000 0.784 517 P CB 0.830 32.219 31.700 -0.518 0.000 0.913 518 D N 2.347 122.686 120.400 -0.102 0.000 2.373 518 D HA 0.141 4.781 4.640 -0.001 0.000 0.227 518 D C 0.270 176.591 176.300 0.036 0.000 1.091 518 D CA -0.675 53.241 54.000 -0.140 0.000 0.840 518 D CB 0.193 40.927 40.800 -0.109 0.000 1.060 518 D HN 0.057 nan 8.370 nan 0.000 0.502 519 F N 1.685 121.746 119.950 0.185 0.000 2.641 519 F HA -0.052 4.474 4.527 -0.001 0.000 0.298 519 F C 2.463 178.338 175.800 0.125 0.000 1.146 519 F CA 0.580 58.691 58.000 0.186 0.000 1.464 519 F CB -0.413 38.677 39.000 0.150 0.000 1.101 519 F HN 0.389 nan 8.300 nan 0.000 0.585 520 S N -1.605 114.236 115.700 0.235 0.000 2.517 520 S HA 0.079 4.549 4.470 -0.001 0.000 0.214 520 S C 0.410 175.058 174.600 0.081 0.000 0.991 520 S CA -0.375 57.906 58.200 0.135 0.000 0.906 520 S CB -0.638 62.620 63.200 0.095 0.000 0.789 520 S HN 0.104 nan 8.310 nan 0.000 0.513 521 F N 2.792 122.671 119.950 -0.118 0.000 2.375 521 F HA 0.590 5.117 4.527 -0.001 0.000 0.333 521 F C 0.009 175.586 175.800 -0.372 0.000 1.104 521 F CA -0.722 57.078 58.000 -0.332 0.000 1.149 521 F CB 1.562 40.203 39.000 -0.598 0.000 1.190 521 F HN -0.067 nan 8.300 nan 0.000 0.533 522 S N 5.807 120.817 115.700 -1.150 0.000 2.464 522 S HA 0.143 4.613 4.470 -0.001 0.000 0.313 522 S C 0.382 174.363 174.600 -1.032 0.000 1.078 522 S CA -0.338 57.386 58.200 -0.794 0.000 1.096 522 S CB -0.252 62.607 63.200 -0.568 0.000 1.032 522 S HN 0.651 nan 8.310 nan 0.000 0.498 523 Y N 1.696 121.759 120.300 -0.395 0.000 2.314 523 Y HA 0.134 4.684 4.550 -0.001 0.000 0.293 523 Y C 0.372 175.723 175.900 -0.914 0.000 1.129 523 Y CA 0.764 58.511 58.100 -0.589 0.000 1.201 523 Y CB 0.077 38.263 38.460 -0.458 0.000 0.999 523 Y HN 0.494 nan 8.280 nan 0.000 0.541 524 F N -1.471 118.434 119.950 -0.075 0.000 2.599 524 F HA 0.461 4.988 4.527 -0.001 0.000 0.311 524 F C -0.060 175.764 175.800 0.039 0.000 1.076 524 F CA -1.513 56.508 58.000 0.035 0.000 0.937 524 F CB 1.597 40.762 39.000 0.274 0.000 1.282 524 F HN -0.403 nan 8.300 nan 0.000 0.460 525 T N -0.021 114.682 114.554 0.250 0.000 2.888 525 T HA 0.724 5.074 4.350 -0.001 0.000 0.284 525 T C -0.631 174.163 174.700 0.156 0.000 1.017 525 T CA -0.840 61.345 62.100 0.141 0.000 1.022 525 T CB 1.303 70.195 68.868 0.039 0.000 1.013 525 T HN 0.507 nan 8.240 nan 0.000 0.465 526 L N 1.862 123.090 121.223 0.008 0.000 2.397 526 L HA 0.424 4.764 4.340 -0.001 0.000 0.271 526 L C 0.094 176.927 176.870 -0.061 0.000 1.148 526 L CA -0.337 54.413 54.840 -0.149 0.000 0.825 526 L CB 0.717 42.616 42.059 -0.266 0.000 1.117 526 L HN 0.811 nan 8.230 nan 0.000 0.456 527 D N 1.585 121.952 120.400 -0.056 0.000 2.408 527 D HA 0.207 4.847 4.640 -0.001 0.000 0.243 527 D C -1.237 175.000 176.300 -0.106 0.000 1.075 527 D CA -0.387 53.581 54.000 -0.053 0.000 0.832 527 D CB 1.115 41.923 40.800 0.013 0.000 1.162 527 D HN 0.287 nan 8.370 nan 0.000 0.515 528 D N 2.443 122.792 120.400 -0.084 0.000 2.481 528 D HA 0.183 4.823 4.640 -0.001 0.000 0.246 528 D C 0.071 176.317 176.300 -0.090 0.000 1.109 528 D CA -0.460 53.521 54.000 -0.031 0.000 0.845 528 D CB 1.853 42.723 40.800 0.117 0.000 1.160 528 D HN 0.257 nan 8.370 nan 0.000 0.534 529 S N 2.646 118.266 115.700 -0.134 0.000 2.522 529 S HA 0.032 4.501 4.470 -0.001 0.000 0.227 529 S C 1.330 175.886 174.600 -0.073 0.000 0.986 529 S CA 0.512 58.622 58.200 -0.150 0.000 0.929 529 S CB 0.389 63.488 63.200 -0.167 0.000 0.769 529 S HN 0.489 nan 8.310 nan 0.000 0.529 530 R N -0.575 119.916 120.500 -0.014 0.000 2.549 530 R HA 0.220 4.559 4.340 -0.001 0.000 0.344 530 R C -0.786 175.596 176.300 0.136 0.000 0.979 530 R CA -0.106 56.011 56.100 0.028 0.000 1.140 530 R CB 0.839 31.147 30.300 0.014 0.000 1.377 530 R HN 0.342 nan 8.270 nan 0.000 0.541 531 W N 1.319 122.581 121.300 -0.064 0.000 3.405 531 W HA 0.287 4.946 4.660 -0.001 0.000 0.329 531 W C -2.922 173.570 176.519 -0.046 0.000 1.142 531 W CA -1.864 55.444 57.345 -0.062 0.000 1.235 531 W CB 1.785 31.220 29.460 -0.042 0.000 1.341 531 W HN -0.194 nan 8.180 nan 0.000 0.481 532 P HA 0.111 nan 4.420 nan 0.000 0.226 532 P C 0.342 177.289 177.300 -0.589 0.000 1.153 532 P CA 1.657 63.902 63.100 -1.425 0.000 0.777 532 P CB 0.301 31.364 31.700 -1.061 0.000 0.794 533 G N -1.156 107.463 108.800 -0.300 0.000 2.617 533 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.686 533 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.686 533 G C -0.515 174.325 174.900 -0.100 0.000 1.214 533 G CA -0.562 44.449 45.100 -0.148 0.000 0.796 533 G HN 0.044 nan 8.290 nan 0.000 0.654 534 S N 0.207 115.888 115.700 -0.033 0.000 2.544 534 S HA 0.500 4.969 4.470 -0.001 0.000 0.290 534 S C 1.829 176.426 174.600 -0.004 0.000 1.276 534 S CA 2.074 60.286 58.200 0.020 0.000 1.075 534 S CB 0.050 63.299 63.200 0.082 0.000 0.849 534 S HN 2.680 nan 8.310 nan 0.000 0.494 535 G N 2.920 111.716 108.800 -0.007 0.000 2.176 535 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.253 535 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.253 535 G C 0.599 175.469 174.900 -0.050 0.000 0.979 535 G CA 0.328 45.414 45.100 -0.024 0.000 0.641 535 G HN 0.813 nan 8.290 nan 0.000 0.530 536 V N -0.371 119.498 119.914 -0.076 0.000 2.599 536 V HA 0.427 4.546 4.120 -0.001 0.000 0.237 536 V C 0.893 176.924 176.094 -0.105 0.000 1.081 536 V CA 1.767 64.007 62.300 -0.101 0.000 1.107 536 V CB 0.764 32.494 31.823 -0.155 0.000 0.808 536 V HN 0.462 nan 8.190 nan 0.000 0.486 537 E N 0.005 120.132 120.200 -0.122 0.000 2.308 537 E HA 0.192 4.541 4.350 -0.001 0.000 0.275 537 E C -1.600 174.963 176.600 -0.062 0.000 0.890 537 E CA -0.567 55.773 56.400 -0.099 0.000 0.754 537 E CB 1.846 31.462 29.700 -0.140 0.000 1.207 537 E HN 0.174 nan 8.360 nan 0.000 0.426 538 D N 2.486 122.869 120.400 -0.028 0.000 2.435 538 D HA 0.065 4.705 4.640 -0.001 0.000 0.230 538 D C 0.317 176.615 176.300 -0.004 0.000 1.215 538 D CA 0.302 54.304 54.000 0.004 0.000 0.947 538 D CB 0.555 41.364 40.800 0.016 0.000 1.048 538 D HN 0.433 nan 8.370 nan 0.000 0.512 539 S N 2.447 118.137 115.700 -0.016 0.000 2.589 539 S HA 0.176 4.646 4.470 -0.001 0.000 0.235 539 S C 0.907 175.495 174.600 -0.019 0.000 1.051 539 S CA -0.445 57.737 58.200 -0.030 0.000 0.978 539 S CB 0.715 63.876 63.200 -0.065 0.000 0.929 539 S HN 0.210 nan 8.310 nan 0.000 0.523 540 R N 2.980 123.471 120.500 -0.015 0.000 2.438 540 R HA 0.386 4.725 4.340 -0.001 0.000 0.287 540 R C 0.021 176.350 176.300 0.049 0.000 1.077 540 R CA 0.289 56.362 56.100 -0.046 0.000 1.034 540 R CB 0.762 30.919 30.300 -0.238 0.000 0.993 540 R HN 0.506 nan 8.270 nan 0.000 0.459 541 T N -0.573 114.011 114.554 0.050 0.000 2.889 541 T HA 0.188 4.538 4.350 -0.001 0.000 0.291 541 T C 0.308 175.112 174.700 0.172 0.000 0.995 541 T CA -0.719 61.440 62.100 0.097 0.000 1.092 541 T CB 1.414 70.327 68.868 0.074 0.000 0.954 541 T HN 0.334 nan 8.240 nan 0.000 0.506 542 T N 3.518 118.184 114.554 0.185 0.000 2.856 542 T HA 0.385 4.734 4.350 -0.001 0.000 0.292 542 T C 0.489 175.294 174.700 0.175 0.000 0.980 542 T CA -0.529 61.703 62.100 0.220 0.000 1.091 542 T CB 0.245 69.205 68.868 0.152 0.000 0.936 542 T HN 0.572 nan 8.240 nan 0.000 0.503 543 I N 3.909 124.601 120.570 0.203 0.000 2.421 543 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 543 I C 0.104 176.305 176.117 0.140 0.000 1.089 543 I CA -0.048 61.350 61.300 0.163 0.000 1.354 543 I CB 0.221 38.320 38.000 0.165 0.000 1.413 543 I HN 0.442 nan 8.210 nan 0.000 0.513 544 I N 8.055 128.693 120.570 0.113 0.000 2.297 544 I HA 0.336 4.506 4.170 -0.001 0.000 0.291 544 I C -0.178 175.997 176.117 0.097 0.000 1.033 544 I CA -0.210 61.149 61.300 0.097 0.000 1.253 544 I CB 0.579 38.624 38.000 0.075 0.000 1.396 544 I HN 0.388 nan 8.210 nan 0.000 0.476 545 L N 5.665 126.949 121.223 0.102 0.000 2.323 545 L HA 0.967 5.307 4.340 -0.001 0.000 0.265 545 L C 0.129 177.053 176.870 0.091 0.000 1.012 545 L CA -0.716 54.184 54.840 0.100 0.000 0.820 545 L CB 2.219 44.343 42.059 0.109 0.000 1.334 545 L HN 0.704 nan 8.230 nan 0.000 0.427 546 G N -0.091 108.760 108.800 0.085 0.000 2.429 546 G HA2 0.086 4.045 3.960 -0.001 0.000 0.300 546 G HA3 0.086 4.045 3.960 -0.001 0.000 0.300 546 G C -0.242 174.699 174.900 0.068 0.000 1.598 546 G CA -0.485 44.661 45.100 0.078 0.000 0.863 546 G HN 0.681 nan 8.290 nan 0.000 0.614 547 E N -0.253 119.985 120.200 0.064 0.000 2.160 547 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 547 E C 0.713 177.340 176.600 0.046 0.000 0.991 547 E CA 1.417 57.849 56.400 0.053 0.000 0.810 547 E CB 0.160 29.888 29.700 0.047 0.000 0.742 547 E HN 0.450 nan 8.360 nan 0.000 0.466 548 D N -0.373 120.054 120.400 0.045 0.000 2.388 548 D HA 0.113 4.752 4.640 -0.001 0.000 0.221 548 D C 1.133 177.457 176.300 0.040 0.000 1.133 548 D CA 0.117 54.140 54.000 0.039 0.000 0.831 548 D CB 0.879 41.699 40.800 0.034 0.000 0.962 548 D HN 0.316 nan 8.370 nan 0.000 0.502 549 I N -0.817 119.781 120.570 0.048 0.000 4.079 549 I HA 0.121 4.291 4.170 -0.001 0.000 0.276 549 I C -1.366 174.787 176.117 0.059 0.000 1.146 549 I CA 0.061 61.390 61.300 0.050 0.000 1.324 549 I CB 1.290 39.319 38.000 0.050 0.000 1.638 549 I HN -0.168 nan 8.210 nan 0.000 0.436 550 L N 1.457 122.720 121.223 0.067 0.000 2.795 550 L HA 0.453 4.793 4.340 -0.001 0.000 0.260 550 L C -2.616 174.305 176.870 0.085 0.000 0.935 550 L CA -0.790 54.098 54.840 0.080 0.000 0.985 550 L CB 1.546 43.659 42.059 0.090 0.000 1.433 550 L HN -0.182 nan 8.230 nan 0.000 0.447 551 P HA 0.124 nan 4.420 nan 0.000 0.224 551 P C -0.375 176.981 177.300 0.092 0.000 1.157 551 P CA 0.840 63.989 63.100 0.082 0.000 0.799 551 P CB 0.351 32.093 31.700 0.070 0.000 0.809 552 S N -2.398 113.369 115.700 0.111 0.000 2.596 552 S HA 0.743 5.213 4.470 -0.001 0.000 0.270 552 S C -1.277 173.426 174.600 0.173 0.000 1.155 552 S CA -0.725 57.548 58.200 0.122 0.000 0.827 552 S CB 2.427 65.694 63.200 0.111 0.000 1.130 552 S HN -0.168 nan 8.310 nan 0.000 0.467 553 K N 0.586 121.094 120.400 0.181 0.000 2.513 553 K HA 0.563 4.883 4.320 -0.001 0.000 0.251 553 K C -1.976 174.794 176.600 0.282 0.000 0.939 553 K CA -0.251 56.189 56.287 0.254 0.000 0.793 553 K CB 0.927 33.534 32.500 0.179 0.000 1.241 553 K HN 0.839 nan 8.250 nan 0.000 0.431 554 H N 0.926 120.138 119.070 0.236 0.000 2.610 554 H HA 0.430 4.986 4.556 -0.001 0.000 0.336 554 H C -0.203 175.350 175.328 0.376 0.000 1.087 554 H CA -0.083 56.151 56.048 0.310 0.000 1.405 554 H CB 0.961 30.986 29.762 0.438 0.000 1.460 554 H HN 0.397 nan 8.280 nan 0.000 0.538 555 V N 1.048 121.207 119.914 0.407 0.000 2.914 555 V HA 0.778 4.898 4.120 -0.001 0.000 0.314 555 V C -0.731 175.693 176.094 0.551 0.000 1.084 555 V CA -0.880 61.666 62.300 0.410 0.000 0.963 555 V CB 2.112 33.921 31.823 -0.024 0.000 1.025 555 V HN 0.455 nan 8.190 nan 0.000 0.432 556 V N 3.895 124.160 119.914 0.585 0.000 2.638 556 V HA 0.627 4.746 4.120 -0.001 0.000 0.306 556 V C -0.433 176.018 176.094 0.595 0.000 1.052 556 V CA -0.371 62.237 62.300 0.513 0.000 0.885 556 V CB 1.807 33.782 31.823 0.254 0.000 0.999 556 V HN 0.944 nan 8.190 nan 0.000 0.424 557 M N 4.009 123.931 119.600 0.536 0.000 2.404 557 M HA 0.493 4.973 4.480 -0.001 0.000 0.338 557 M C -0.463 176.115 176.300 0.463 0.000 1.150 557 M CA -0.253 55.340 55.300 0.489 0.000 1.016 557 M CB 1.163 33.990 32.600 0.378 0.000 1.672 557 M HN 0.752 nan 8.290 nan 0.000 0.448 558 H N 1.941 121.243 119.070 0.386 0.000 2.469 558 H HA 0.473 5.029 4.556 -0.001 0.000 0.342 558 H C -1.359 174.105 175.328 0.227 0.000 1.115 558 H CA -0.583 55.656 56.048 0.318 0.000 1.204 558 H CB 1.182 31.204 29.762 0.434 0.000 1.492 558 H HN 0.639 nan 8.280 nan 0.000 0.499 559 N N 3.098 121.570 118.700 -0.379 0.000 2.569 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.254 559 N C 0.314 175.504 175.510 -0.532 0.000 1.004 559 N CA -0.298 52.542 53.050 -0.350 0.000 0.904 559 N CB 1.591 39.976 38.487 -0.170 0.000 1.165 559 N HN 0.644 nan 8.380 nan 0.000 0.513 560 T N 2.900 117.190 114.554 -0.440 0.000 3.072 560 T HA 0.175 4.524 4.350 -0.001 0.000 0.266 560 T C 0.697 175.361 174.700 -0.060 0.000 1.127 560 T CA 0.467 62.468 62.100 -0.165 0.000 1.107 560 T CB -0.222 68.683 68.868 0.061 0.000 0.910 560 T HN 0.414 nan 8.240 nan 0.000 0.513 561 L N 2.759 123.893 121.223 -0.147 0.000 2.395 561 L HA 0.317 4.657 4.340 -0.001 0.000 0.269 561 L C -1.618 175.116 176.870 -0.226 0.000 1.133 561 L CA -1.948 52.771 54.840 -0.202 0.000 0.812 561 L CB 0.741 42.546 42.059 -0.423 0.000 1.125 561 L HN -0.041 nan 8.230 nan 0.000 0.452 562 P HA 0.056 nan 4.420 nan 0.000 0.235 562 P C -0.966 176.356 177.300 0.037 0.000 1.725 562 P CA 0.313 63.405 63.100 -0.013 0.000 0.894 562 P CB -0.357 31.389 31.700 0.077 0.000 1.704 563 H N -3.153 115.933 119.070 0.026 0.000 3.012 563 H HA 0.243 4.799 4.556 -0.001 0.000 0.367 563 H C -1.024 174.326 175.328 0.037 0.000 1.211 563 H CA -1.077 55.005 56.048 0.058 0.000 1.139 563 H CB 0.012 29.838 29.762 0.107 0.000 1.838 563 H HN -0.134 nan 8.280 nan 0.000 0.550 564 W N 1.636 123.050 121.300 0.190 0.000 2.257 564 W HA 0.228 4.888 4.660 -0.001 0.000 0.337 564 W C 0.806 177.432 176.519 0.179 0.000 1.321 564 W CA 0.404 57.828 57.345 0.131 0.000 1.267 564 W CB 0.417 29.941 29.460 0.107 0.000 1.187 564 W HN 0.478 nan 8.180 nan 0.000 0.565 565 R N 2.051 122.756 120.500 0.341 0.000 2.628 565 R HA 0.299 4.639 4.340 -0.001 0.000 0.288 565 R C -0.911 175.531 176.300 0.237 0.000 0.980 565 R CA -0.667 55.585 56.100 0.253 0.000 0.891 565 R CB 1.401 31.774 30.300 0.122 0.000 1.188 565 R HN 0.468 nan 8.270 nan 0.000 0.450 566 E N 2.198 122.510 120.200 0.186 0.000 2.191 566 E HA 0.270 4.619 4.350 -0.001 0.000 0.274 566 E C -1.200 175.449 176.600 0.081 0.000 0.948 566 E CA -0.755 55.729 56.400 0.140 0.000 0.802 566 E CB 2.317 32.090 29.700 0.122 0.000 1.137 566 E HN 0.368 nan 8.360 nan 0.000 0.397 567 Q N 2.846 122.670 119.800 0.039 0.000 2.352 567 Q HA 0.237 4.577 4.340 -0.001 0.000 0.270 567 Q C -1.524 174.434 176.000 -0.070 0.000 1.006 567 Q CA -0.569 55.228 55.803 -0.011 0.000 0.880 567 Q CB 1.412 30.134 28.738 -0.026 0.000 1.392 567 Q HN 0.553 nan 8.270 nan 0.000 0.401 568 L N 3.238 124.414 121.223 -0.078 0.000 2.453 568 L HA 0.323 4.662 4.340 -0.001 0.000 0.272 568 L C 0.220 176.954 176.870 -0.226 0.000 1.182 568 L CA -0.226 54.529 54.840 -0.142 0.000 0.858 568 L CB 0.551 42.563 42.059 -0.078 0.000 1.120 568 L HN 0.479 nan 8.230 nan 0.000 0.474 569 V N -0.465 119.210 119.914 -0.398 0.000 2.914 569 V HA 0.713 4.832 4.120 -0.001 0.000 0.314 569 V C -0.956 174.864 176.094 -0.458 0.000 1.084 569 V CA -0.862 61.162 62.300 -0.460 0.000 0.963 569 V CB 2.185 33.687 31.823 -0.535 0.000 1.025 569 V HN 0.801 nan 8.190 nan 0.000 0.432 570 D N 1.438 121.567 120.400 -0.452 0.000 2.671 570 D HA 0.620 5.260 4.640 -0.001 0.000 0.232 570 D C -1.449 174.543 176.300 -0.513 0.000 1.114 570 D CA -0.370 53.474 54.000 -0.260 0.000 0.858 570 D CB 2.469 43.212 40.800 -0.094 0.000 1.544 570 D HN 0.447 nan 8.370 nan 0.000 0.471 571 F N -0.058 119.952 119.950 0.100 0.000 2.588 571 F HA 0.358 4.885 4.527 -0.001 0.000 0.314 571 F C -0.545 175.409 175.800 0.258 0.000 1.069 571 F CA -1.028 57.044 58.000 0.120 0.000 0.931 571 F CB 1.563 40.680 39.000 0.195 0.000 1.260 571 F HN 0.164 nan 8.300 nan 0.000 0.465 572 Y N 1.961 122.420 120.300 0.266 0.000 2.304 572 Y HA 0.578 5.127 4.550 -0.001 0.000 0.328 572 Y C 0.164 176.186 175.900 0.202 0.000 1.123 572 Y CA -1.507 56.698 58.100 0.175 0.000 1.218 572 Y CB 1.018 39.535 38.460 0.094 0.000 1.207 572 Y HN 0.341 nan 8.280 nan 0.000 0.495 573 V N -0.488 119.622 119.914 0.328 0.000 3.007 573 V HA 0.554 4.674 4.120 -0.001 0.000 0.311 573 V C 0.320 176.545 176.094 0.217 0.000 1.120 573 V CA -0.764 61.689 62.300 0.255 0.000 0.980 573 V CB 1.681 33.655 31.823 0.252 0.000 1.033 573 V HN 0.669 nan 8.190 nan 0.000 0.429 574 S N 0.213 116.022 115.700 0.181 0.000 2.593 574 S HA 0.255 4.725 4.470 -0.001 0.000 0.217 574 S C 0.678 175.413 174.600 0.225 0.000 0.966 574 S CA 0.492 58.786 58.200 0.158 0.000 0.914 574 S CB -0.218 63.047 63.200 0.108 0.000 0.776 574 S HN 1.470 nan 8.310 nan 0.000 0.523 575 S N 1.180 117.014 115.700 0.225 0.000 2.546 575 S HA 0.582 5.052 4.470 -0.001 0.000 0.274 575 S C -2.598 171.919 174.600 -0.139 0.000 1.121 575 S CA -1.401 56.826 58.200 0.046 0.000 0.887 575 S CB 1.925 65.148 63.200 0.038 0.000 1.094 575 S HN 0.006 nan 8.310 nan 0.000 0.474 576 P HA 0.174 nan 4.420 nan 0.000 0.236 576 P C -0.169 177.000 177.300 -0.217 0.000 1.177 576 P CA 0.408 63.145 63.100 -0.605 0.000 0.773 576 P CB -0.171 30.878 31.700 -1.085 0.000 0.878 577 F N 0.803 120.769 119.950 0.028 0.000 2.509 577 F HA 0.269 4.796 4.527 -0.001 0.000 0.344 577 F C 0.480 176.325 175.800 0.075 0.000 1.197 577 F CA -1.146 56.897 58.000 0.072 0.000 1.294 577 F CB -0.159 38.850 39.000 0.015 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 1.010 121.059 119.914 0.225 0.000 2.709 578 V HA 0.684 4.803 4.120 -0.001 0.000 0.308 578 V C -0.305 175.854 176.094 0.109 0.000 1.062 578 V CA -0.821 61.568 62.300 0.147 0.000 0.901 578 V CB 2.302 34.203 31.823 0.131 0.000 1.003 578 V HN 0.508 nan 8.190 nan 0.000 0.425 579 S N 3.022 118.767 115.700 0.074 0.000 2.634 579 S HA 0.899 5.369 4.470 -0.001 0.000 0.296 579 S C -1.027 173.552 174.600 -0.035 0.000 1.104 579 S CA -0.825 57.397 58.200 0.037 0.000 0.920 579 S CB 2.124 65.366 63.200 0.069 0.000 1.111 579 S HN 0.449 nan 8.310 nan 0.000 0.493 580 V N 1.793 121.648 119.914 -0.099 0.000 2.555 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.302 580 V C 0.045 176.049 176.094 -0.151 0.000 1.038 580 V CA -0.427 61.733 62.300 -0.232 0.000 0.887 580 V CB 1.570 33.053 31.823 -0.567 0.000 0.991 580 V HN 1.211 nan 8.190 nan 0.000 0.434 581 T N -0.460 114.026 114.554 -0.113 0.000 2.906 581 T HA 0.661 5.010 4.350 -0.001 0.000 0.295 581 T C -0.806 173.882 174.700 -0.020 0.000 1.075 581 T CA -0.898 61.161 62.100 -0.068 0.000 1.005 581 T CB 2.085 70.904 68.868 -0.083 0.000 1.136 581 T HN 0.712 nan 8.240 nan 0.000 0.498 582 D N 0.533 120.893 120.400 -0.066 0.000 2.478 582 D HA 0.223 4.863 4.640 -0.001 0.000 0.269 582 D C 0.637 176.797 176.300 -0.232 0.000 1.232 582 D CA -1.182 52.657 54.000 -0.269 0.000 1.059 582 D CB 0.297 40.934 40.800 -0.272 0.000 1.104 582 D HN 0.341 nan 8.370 nan 0.000 0.566 583 L N -0.608 120.458 121.223 -0.260 0.000 2.645 583 L HA 0.350 4.690 4.340 -0.001 0.000 0.234 583 L C 1.380 178.173 176.870 -0.128 0.000 1.165 583 L CA 0.325 55.056 54.840 -0.181 0.000 0.944 583 L CB -0.911 41.045 42.059 -0.170 0.000 1.149 583 L HN 0.622 nan 8.230 nan 0.000 0.446 584 A N -1.180 121.570 122.820 -0.116 0.000 2.423 584 A HA 0.203 4.523 4.320 -0.001 0.000 0.246 584 A C 1.144 178.684 177.584 -0.074 0.000 1.278 584 A CA 0.010 51.997 52.037 -0.083 0.000 0.903 584 A CB -0.302 18.656 19.000 -0.070 0.000 0.997 584 A HN 0.452 nan 8.150 nan 0.000 0.510 585 N N -0.013 118.636 118.700 -0.085 0.000 2.878 585 N HA -0.128 4.612 4.740 -0.001 0.000 0.247 585 N C -0.962 174.505 175.510 -0.072 0.000 1.021 585 N CA 0.653 53.660 53.050 -0.072 0.000 0.873 585 N CB -1.316 37.139 38.487 -0.053 0.000 1.128 585 N HN 0.590 nan 8.380 nan 0.000 0.571 586 N N 1.771 120.425 118.700 -0.076 0.000 2.475 586 N HA 0.216 4.955 4.740 -0.001 0.000 0.267 586 N C -2.405 173.040 175.510 -0.109 0.000 1.169 586 N CA -0.564 52.437 53.050 -0.081 0.000 0.947 586 N CB 0.529 38.979 38.487 -0.060 0.000 1.061 586 N HN 0.162 nan 8.380 nan 0.000 0.466 587 P HA 0.070 nan 4.420 nan 0.000 0.269 587 P C -0.435 176.732 177.300 -0.222 0.000 1.209 587 P CA -0.090 62.830 63.100 -0.300 0.000 0.776 587 P CB 0.725 31.963 31.700 -0.771 0.000 0.876 588 V N 2.356 122.186 119.914 -0.139 0.000 2.487 588 V HA 0.222 4.341 4.120 -0.001 0.000 0.298 588 V C 0.351 176.444 176.094 -0.003 0.000 1.028 588 V CA -0.827 61.453 62.300 -0.035 0.000 0.860 588 V CB 1.436 33.261 31.823 0.003 0.000 0.991 588 V HN 0.545 nan 8.190 nan 0.000 0.427 589 E N 3.195 123.432 120.200 0.063 0.000 2.414 589 E HA 0.476 4.825 4.350 -0.001 0.000 0.263 589 E C -0.225 176.446 176.600 0.118 0.000 1.000 589 E CA 0.091 56.556 56.400 0.110 0.000 0.914 589 E CB 0.869 30.636 29.700 0.112 0.000 0.948 589 E HN 0.891 nan 8.360 nan 0.000 0.444 590 A N 4.263 127.141 122.820 0.097 0.000 2.515 590 A HA 0.425 4.744 4.320 -0.001 0.000 0.296 590 A C -1.314 176.289 177.584 0.033 0.000 1.094 590 A CA -0.731 51.373 52.037 0.112 0.000 0.718 590 A CB 1.929 20.990 19.000 0.101 0.000 1.307 590 A HN 0.682 nan 8.150 nan 0.000 0.408 591 Q N 0.853 120.681 119.800 0.047 0.000 2.356 591 Q HA 0.659 4.998 4.340 -0.001 0.000 0.270 591 Q C -1.994 174.005 176.000 -0.001 0.000 1.058 591 Q CA -0.552 55.237 55.803 -0.022 0.000 0.802 591 Q CB 2.161 30.922 28.738 0.039 0.000 1.303 591 Q HN 0.573 nan 8.270 nan 0.000 0.444 592 V N 2.561 122.409 119.914 -0.111 0.000 2.513 592 V HA 0.590 4.710 4.120 -0.001 0.000 0.299 592 V C -0.565 175.709 176.094 0.300 0.000 1.035 592 V CA -0.324 62.023 62.300 0.078 0.000 0.889 592 V CB 1.895 33.729 31.823 0.019 0.000 0.988 592 V HN 0.863 nan 8.190 nan 0.000 0.440 593 S N 4.861 120.770 115.700 0.347 0.000 2.632 593 S HA 0.687 5.157 4.470 -0.001 0.000 0.289 593 S C -2.793 171.879 174.600 0.119 0.000 1.115 593 S CA -1.181 57.206 58.200 0.312 0.000 0.889 593 S CB 2.407 65.739 63.200 0.219 0.000 1.116 593 S HN 0.537 nan 8.310 nan 0.000 0.486 594 P HA 0.254 nan 4.420 nan 0.000 0.273 594 P C -1.159 175.823 177.300 -0.529 0.000 1.250 594 P CA -0.510 62.213 63.100 -0.629 0.000 0.793 594 P CB 0.372 31.293 31.700 -1.298 0.000 1.011 595 V N 1.603 121.128 119.914 -0.647 0.000 2.348 595 V HA 0.207 4.326 4.120 -0.001 0.000 0.270 595 V C -0.567 175.223 176.094 -0.508 0.000 1.037 595 V CA -0.175 61.827 62.300 -0.496 0.000 0.872 595 V CB -0.328 31.113 31.823 -0.636 0.000 1.002 595 V HN 0.523 nan 8.190 nan 0.000 0.464 596 W N 2.909 124.122 121.300 -0.144 0.000 2.478 596 W HA 0.636 5.296 4.660 -0.001 0.000 0.318 596 W C 0.290 176.731 176.519 -0.130 0.000 1.062 596 W CA -0.340 56.903 57.345 -0.170 0.000 1.210 596 W CB 1.851 31.218 29.460 -0.156 0.000 1.325 596 W HN 0.405 nan 8.180 nan 0.000 0.496 597 S N 1.804 117.545 115.700 0.067 0.000 2.513 597 S HA 0.441 4.911 4.470 -0.001 0.000 0.299 597 S C -1.503 172.911 174.600 -0.309 0.000 1.087 597 S CA -0.749 57.414 58.200 -0.062 0.000 1.012 597 S CB 1.032 64.190 63.200 -0.071 0.000 1.044 597 S HN 0.344 nan 8.310 nan 0.000 0.485 598 W N 2.603 123.694 121.300 -0.349 0.000 2.469 598 W HA 0.475 5.134 4.660 -0.001 0.000 0.320 598 W C 0.286 176.498 176.519 -0.512 0.000 1.086 598 W CA -0.319 56.841 57.345 -0.310 0.000 1.211 598 W CB 0.729 30.101 29.460 -0.146 0.000 1.298 598 W HN 0.551 nan 8.180 nan 0.000 0.525 599 H N 1.912 121.055 119.070 0.121 0.000 2.609 599 H HA 0.094 4.650 4.556 -0.001 0.000 0.344 599 H C -0.923 174.515 175.328 0.184 0.000 1.040 599 H CA -0.948 55.141 56.048 0.068 0.000 1.216 599 H CB 1.685 31.390 29.762 -0.095 0.000 1.529 599 H HN 0.371 nan 8.280 nan 0.000 0.519 600 H N 2.804 121.989 119.070 0.191 0.000 3.067 600 H HA 0.019 4.575 4.556 -0.001 0.000 0.265 600 H C -0.396 175.032 175.328 0.168 0.000 1.234 600 H CA -0.351 55.798 56.048 0.167 0.000 1.452 600 H CB -0.030 29.794 29.762 0.103 0.000 1.527 600 H HN 0.438 nan 8.280 nan 0.000 0.486 601 D N 3.709 124.122 120.400 0.021 0.000 2.348 601 D HA -0.058 4.582 4.640 -0.001 0.000 0.259 601 D C 0.963 177.092 176.300 -0.284 0.000 1.296 601 D CA 0.277 54.261 54.000 -0.026 0.000 0.931 601 D CB 0.534 41.452 40.800 0.197 0.000 1.067 601 D HN 0.771 nan 8.370 nan 0.000 0.503 602 T N 1.156 115.523 114.554 -0.311 0.000 3.118 602 T HA -0.057 4.293 4.350 -0.001 0.000 0.260 602 T C 1.758 176.386 174.700 -0.120 0.000 1.139 602 T CA 0.003 61.931 62.100 -0.287 0.000 1.085 602 T CB 0.173 68.931 68.868 -0.182 0.000 0.934 602 T HN 0.206 nan 8.240 nan 0.000 0.518 603 L N 2.429 123.603 121.223 -0.082 0.000 2.071 603 L HA 0.115 4.454 4.340 -0.001 0.000 0.201 603 L C 3.002 179.850 176.870 -0.037 0.000 1.076 603 L CA 2.190 57.003 54.840 -0.044 0.000 0.755 603 L CB -1.842 40.198 42.059 -0.031 0.000 0.915 603 L HN 0.550 nan 8.230 nan 0.000 0.445 604 T N -3.790 110.741 114.554 -0.039 0.000 3.088 604 T HA -0.018 4.331 4.350 -0.001 0.000 0.259 604 T C 0.751 175.445 174.700 -0.011 0.000 1.122 604 T CA -0.116 61.962 62.100 -0.037 0.000 1.095 604 T CB 0.040 68.863 68.868 -0.076 0.000 0.930 604 T HN 0.136 nan 8.240 nan 0.000 0.508 605 K N 2.002 122.400 120.400 -0.004 0.000 3.125 605 K HA -0.125 4.194 4.320 -0.001 0.000 0.268 605 K C 0.122 176.804 176.600 0.136 0.000 1.078 605 K CA 1.243 57.575 56.287 0.075 0.000 0.775 605 K CB -2.911 29.633 32.500 0.074 0.000 1.253 605 K HN 0.870 nan 8.250 nan 0.000 0.486 606 T N -2.737 111.900 114.554 0.138 0.000 2.916 606 T HA 0.820 5.170 4.350 -0.001 0.000 0.292 606 T C 0.278 175.188 174.700 0.349 0.000 1.064 606 T CA -1.063 61.148 62.100 0.184 0.000 1.011 606 T CB 2.274 71.178 68.868 0.060 0.000 1.152 606 T HN 0.140 nan 8.240 nan 0.000 0.510 607 I N 2.652 123.439 120.570 0.362 0.000 2.355 607 I HA 0.522 4.691 4.170 -0.001 0.000 0.288 607 I C -0.249 176.216 176.117 0.579 0.000 0.999 607 I CA -0.718 60.856 61.300 0.457 0.000 1.163 607 I CB 0.836 39.022 38.000 0.310 0.000 1.316 607 I HN 0.952 nan 8.210 nan 0.000 0.454 608 H N 5.795 125.057 119.070 0.320 0.000 3.016 608 H HA 0.646 5.202 4.556 -0.001 0.000 0.362 608 H C -3.163 171.997 175.328 -0.279 0.000 1.233 608 H CA -2.279 53.795 56.048 0.043 0.000 1.124 608 H CB 2.115 31.892 29.762 0.024 0.000 1.850 608 H HN 0.158 nan 8.280 nan 0.000 0.549 609 P HA 0.195 nan 4.420 nan 0.000 0.286 609 P C -1.023 176.105 177.300 -0.287 0.000 1.261 609 P CA -0.625 61.900 63.100 -0.959 0.000 0.821 609 P CB 1.846 32.664 31.700 -1.471 0.000 1.013 610 Q N 0.658 120.448 119.800 -0.017 0.000 2.365 610 Q HA 0.591 4.931 4.340 -0.001 0.000 0.269 610 Q C 0.095 176.166 176.000 0.118 0.000 1.061 610 Q CA -0.568 55.297 55.803 0.102 0.000 0.816 610 Q CB 2.788 31.523 28.738 -0.005 0.000 1.325 610 Q HN 0.601 nan 8.270 nan 0.000 0.446 611 G N 0.469 109.215 108.800 -0.091 0.000 2.389 611 G HA2 0.364 4.324 3.960 -0.001 0.000 0.328 611 G HA3 0.364 4.324 3.960 -0.001 0.000 0.328 611 G C -0.390 174.251 174.900 -0.432 0.000 1.133 611 G CA -0.307 44.421 45.100 -0.620 0.000 0.891 611 G HN 0.414 nan 8.290 nan 0.000 0.485 612 S N -0.571 114.815 115.700 -0.522 0.000 2.580 612 S HA 0.333 4.802 4.470 -0.001 0.000 0.274 612 S C 1.561 175.896 174.600 -0.442 0.000 1.329 612 S CA 0.247 58.182 58.200 -0.442 0.000 1.036 612 S CB 0.790 63.673 63.200 -0.529 0.000 0.919 612 S HN 0.904 nan 8.310 nan 0.000 0.515 613 T N -0.254 114.123 114.554 -0.294 0.000 3.105 613 T HA 0.170 4.519 4.350 -0.001 0.000 0.253 613 T C 0.994 175.610 174.700 -0.139 0.000 1.047 613 T CA 0.457 62.455 62.100 -0.169 0.000 0.944 613 T CB -0.210 68.612 68.868 -0.077 0.000 1.016 613 T HN 0.702 nan 8.240 nan 0.000 0.544 614 T N -1.466 112.905 114.554 -0.305 0.000 3.080 614 T HA 0.317 4.667 4.350 -0.001 0.000 0.280 614 T C 0.085 174.584 174.700 -0.335 0.000 0.926 614 T CA -0.602 61.382 62.100 -0.193 0.000 0.883 614 T CB 0.081 68.885 68.868 -0.106 0.000 1.194 614 T HN 0.642 nan 8.240 nan 0.000 0.541 615 K N 0.075 120.039 120.400 -0.727 0.000 2.477 615 K HA 0.702 5.022 4.320 -0.001 0.000 0.255 615 K C -2.036 173.882 176.600 -1.136 0.000 0.952 615 K CA -0.968 54.924 56.287 -0.658 0.000 0.826 615 K CB 1.896 34.155 32.500 -0.402 0.000 1.331 615 K HN 0.099 nan 8.250 nan 0.000 0.437 616 Y N -0.084 120.129 120.300 -0.144 0.000 2.581 616 Y HA 0.457 5.006 4.550 -0.001 0.000 0.345 616 Y C -0.440 175.471 175.900 0.018 0.000 1.036 616 Y CA -1.127 56.923 58.100 -0.085 0.000 1.042 616 Y CB 2.339 40.816 38.460 0.029 0.000 1.289 616 Y HN 0.390 nan 8.280 nan 0.000 0.471 617 R N 1.761 122.392 120.500 0.219 0.000 2.294 617 R HA 0.590 4.930 4.340 -0.001 0.000 0.319 617 R C -1.229 175.245 176.300 0.289 0.000 0.984 617 R CA -0.643 55.635 56.100 0.295 0.000 0.861 617 R CB 1.659 32.110 30.300 0.252 0.000 1.104 617 R HN 0.650 nan 8.270 nan 0.000 0.451 618 I N 4.143 124.905 120.570 0.319 0.000 2.441 618 I HA 0.442 4.612 4.170 -0.001 0.000 0.295 618 I C -1.065 175.242 176.117 0.317 0.000 0.994 618 I CA -0.821 60.659 61.300 0.300 0.000 1.144 618 I CB 1.128 39.319 38.000 0.318 0.000 1.314 618 I HN 0.538 nan 8.210 nan 0.000 0.445 619 I N 7.937 128.665 120.570 0.262 0.000 2.582 619 I HA 0.522 4.691 4.170 -0.001 0.000 0.292 619 I C -1.063 175.207 176.117 0.256 0.000 1.066 619 I CA -0.491 60.909 61.300 0.167 0.000 1.053 619 I CB 1.772 39.830 38.000 0.097 0.000 1.241 619 I HN 0.510 nan 8.210 nan 0.000 0.421 620 F N 2.608 122.581 119.950 0.039 0.000 2.713 620 F HA 0.576 5.102 4.527 -0.001 0.000 0.311 620 F C -1.136 174.645 175.800 -0.031 0.000 1.141 620 F CA -1.279 56.722 58.000 0.002 0.000 0.939 620 F CB 1.296 40.286 39.000 -0.017 0.000 1.325 620 F HN 0.212 nan 8.300 nan 0.000 0.453 621 K N 1.916 122.397 120.400 0.135 0.000 2.276 621 K HA 0.735 5.055 4.320 -0.001 0.000 0.285 621 K C -0.712 175.922 176.600 0.057 0.000 1.062 621 K CA -0.333 55.974 56.287 0.034 0.000 0.918 621 K CB 0.946 33.501 32.500 0.092 0.000 1.055 621 K HN 0.926 nan 8.250 nan 0.000 0.477 622 A N 4.716 127.485 122.820 -0.085 0.000 2.290 622 A HA 0.396 4.716 4.320 -0.001 0.000 0.310 622 A C -0.694 177.020 177.584 0.217 0.000 1.202 622 A CA -0.703 51.343 52.037 0.016 0.000 0.837 622 A CB 0.667 19.636 19.000 -0.051 0.000 1.139 622 A HN 0.871 nan 8.150 nan 0.000 0.509 623 R N 2.433 123.176 120.500 0.405 0.000 2.360 623 R HA 0.600 4.940 4.340 -0.001 0.000 0.318 623 R C -1.839 174.731 176.300 0.451 0.000 0.950 623 R CA -0.215 56.116 56.100 0.385 0.000 0.837 623 R CB 1.132 31.637 30.300 0.340 0.000 1.165 623 R HN 0.481 nan 8.270 nan 0.000 0.458 624 V N 6.331 126.472 119.914 0.378 0.000 2.588 624 V HA 0.445 4.565 4.120 -0.001 0.000 0.304 624 V C -2.255 173.768 176.094 -0.119 0.000 1.042 624 V CA -2.343 60.072 62.300 0.192 0.000 0.877 624 V CB 1.871 33.777 31.823 0.139 0.000 0.996 624 V HN 0.789 nan 8.190 nan 0.000 0.425 625 P HA 0.219 nan 4.420 nan 0.000 0.271 625 P C -2.736 174.090 177.300 -0.790 0.000 1.233 625 P CA -1.388 60.853 63.100 -1.431 0.000 0.789 625 P CB -0.249 30.802 31.700 -1.081 0.000 0.951 626 P HA 0.067 nan 4.420 nan 0.000 0.264 626 P C 0.137 177.394 177.300 -0.071 0.000 1.193 626 P CA 0.667 63.573 63.100 -0.323 0.000 0.763 626 P CB -0.265 31.312 31.700 -0.205 0.000 0.810 627 M N 0.337 119.939 119.600 0.002 0.000 2.253 627 M HA -0.216 4.264 4.480 -0.001 0.000 0.199 627 M C 0.578 177.080 176.300 0.337 0.000 0.342 627 M CA 1.017 56.459 55.300 0.236 0.000 0.417 627 M CB -2.046 30.780 32.600 0.377 0.000 1.338 627 M HN 0.586 nan 8.290 nan 0.000 0.920 628 G N -0.216 108.642 108.800 0.096 0.000 3.022 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.284 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.284 628 G C -1.353 173.681 174.900 0.223 0.000 1.375 628 G CA -0.970 44.159 45.100 0.048 0.000 0.902 628 G HN 0.174 nan 8.290 nan 0.000 0.538 629 L N -0.484 120.855 121.223 0.194 0.000 2.388 629 L HA 0.801 5.141 4.340 -0.001 0.000 0.264 629 L C -0.231 176.741 176.870 0.170 0.000 0.998 629 L CA -1.021 53.964 54.840 0.242 0.000 0.817 629 L CB 2.467 44.675 42.059 0.248 0.000 1.338 629 L HN 0.768 nan 8.230 nan 0.000 0.414 630 A N 0.816 123.775 122.820 0.232 0.000 2.422 630 A HA 0.823 5.143 4.320 -0.001 0.000 0.302 630 A C -0.809 176.925 177.584 0.249 0.000 1.041 630 A CA -0.454 51.703 52.037 0.200 0.000 0.708 630 A CB 1.781 20.949 19.000 0.281 0.000 1.257 630 A HN 0.556 nan 8.150 nan 0.000 0.414 631 T N 1.993 116.584 114.554 0.061 0.000 2.824 631 T HA 0.659 5.008 4.350 -0.001 0.000 0.280 631 T C -1.106 173.489 174.700 -0.174 0.000 0.995 631 T CA 0.200 62.374 62.100 0.123 0.000 1.009 631 T CB 0.402 69.343 68.868 0.122 0.000 0.955 631 T HN 0.438 nan 8.240 nan 0.000 0.452 632 Y N 0.290 120.666 120.300 0.127 0.000 2.605 632 Y HA 0.669 5.219 4.550 -0.001 0.000 0.343 632 Y C -0.366 175.446 175.900 -0.147 0.000 1.036 632 Y CA -1.153 56.939 58.100 -0.013 0.000 1.065 632 Y CB 1.750 40.230 38.460 0.034 0.000 1.288 632 Y HN 0.310 nan 8.280 nan 0.000 0.481 633 V N 3.223 123.090 119.914 -0.079 0.000 2.588 633 V HA 0.433 4.552 4.120 -0.001 0.000 0.304 633 V C -0.777 175.252 176.094 -0.108 0.000 1.042 633 V CA -0.951 61.241 62.300 -0.179 0.000 0.877 633 V CB 1.767 33.422 31.823 -0.280 0.000 0.996 633 V HN 0.499 nan 8.190 nan 0.000 0.425 634 L N 3.922 125.110 121.223 -0.059 0.000 2.296 634 L HA 0.678 5.017 4.340 -0.001 0.000 0.286 634 L C -0.108 176.776 176.870 0.022 0.000 1.023 634 L CA -0.111 54.710 54.840 -0.032 0.000 0.812 634 L CB 1.781 43.835 42.059 -0.009 0.000 1.223 634 L HN 0.609 nan 8.230 nan 0.000 0.421 635 T N 3.747 118.318 114.554 0.029 0.000 2.861 635 T HA 0.465 4.814 4.350 -0.001 0.000 0.287 635 T C -0.241 174.506 174.700 0.078 0.000 1.003 635 T CA -0.379 61.753 62.100 0.054 0.000 0.977 635 T CB 2.402 71.292 68.868 0.037 0.000 0.996 635 T HN 0.382 nan 8.240 nan 0.000 0.448 636 I N 3.085 123.710 120.570 0.092 0.000 2.612 636 I HA 0.548 4.717 4.170 -0.001 0.000 0.295 636 I C 0.273 176.454 176.117 0.107 0.000 1.011 636 I CA 0.118 61.489 61.300 0.117 0.000 1.326 636 I CB 0.793 38.865 38.000 0.120 0.000 1.427 636 I HN 0.830 nan 8.210 nan 0.000 0.537 637 S N 3.008 118.790 115.700 0.136 0.000 2.697 637 S HA 0.351 4.820 4.470 -0.001 0.000 0.289 637 S C 0.044 174.686 174.600 0.069 0.000 1.149 637 S CA -0.493 57.755 58.200 0.080 0.000 0.850 637 S CB 1.519 64.747 63.200 0.046 0.000 1.151 637 S HN 0.698 nan 8.310 nan 0.000 0.491 638 D N 0.358 120.739 120.400 -0.031 0.000 2.317 638 D HA 0.099 4.739 4.640 -0.001 0.000 0.211 638 D C 0.888 176.944 176.300 -0.406 0.000 0.966 638 D CA 0.928 54.872 54.000 -0.093 0.000 0.876 638 D CB -0.296 40.460 40.800 -0.073 0.000 0.927 638 D HN 0.639 nan 8.370 nan 0.000 0.519 639 S N -1.700 113.666 115.700 -0.556 0.000 2.705 639 S HA 0.400 4.869 4.470 -0.001 0.000 0.280 639 S C -0.649 173.528 174.600 -0.705 0.000 1.174 639 S CA -1.248 56.366 58.200 -0.978 0.000 0.823 639 S CB 1.526 64.425 63.200 -0.501 0.000 1.162 639 S HN -0.060 nan 8.310 nan 0.000 0.487 640 K N 1.936 122.016 120.400 -0.533 0.000 2.437 640 K HA 0.158 4.477 4.320 -0.001 0.000 0.277 640 K C -2.390 174.235 176.600 0.041 0.000 1.073 640 K CA -0.521 55.773 56.287 0.012 0.000 1.105 640 K CB -0.582 31.957 32.500 0.066 0.000 0.881 640 K HN 0.380 nan 8.250 nan 0.000 0.475 641 P HA -0.012 nan 4.420 nan 0.000 0.272 641 P C 0.551 177.875 177.300 0.039 0.000 1.223 641 P CA -0.300 62.849 63.100 0.081 0.000 0.784 641 P CB 0.731 32.503 31.700 0.120 0.000 0.923 642 E N 1.137 121.321 120.200 -0.027 0.000 2.118 642 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 642 E C 0.539 176.963 176.600 -0.293 0.000 0.992 642 E CA 1.200 57.487 56.400 -0.187 0.000 0.804 642 E CB -0.043 29.473 29.700 -0.307 0.000 0.741 642 E HN 0.498 nan 8.360 nan 0.000 0.458 643 H N -0.708 118.372 119.070 0.018 0.000 2.505 643 H HA 0.213 4.769 4.556 -0.001 0.000 0.289 643 H C -0.387 174.936 175.328 -0.008 0.000 1.052 643 H CA 0.210 56.263 56.048 0.008 0.000 1.156 643 H CB 0.698 30.464 29.762 0.007 0.000 1.507 643 H HN -0.047 nan 8.280 nan 0.000 0.548 644 T N 1.445 116.022 114.554 0.039 0.000 2.812 644 T HA 0.322 4.671 4.350 -0.001 0.000 0.282 644 T C 0.290 174.872 174.700 -0.197 0.000 0.990 644 T CA -0.700 61.354 62.100 -0.077 0.000 0.960 644 T CB 2.172 70.993 68.868 -0.078 0.000 0.948 644 T HN 0.273 nan 8.240 nan 0.000 0.438 645 S N 2.264 117.801 115.700 -0.273 0.000 2.704 645 S HA 0.793 5.262 4.470 -0.001 0.000 0.305 645 S C -1.448 172.798 174.600 -0.589 0.000 1.107 645 S CA -0.822 57.227 58.200 -0.252 0.000 0.993 645 S CB 0.922 64.089 63.200 -0.055 0.000 1.110 645 S HN 0.575 nan 8.310 nan 0.000 0.534 646 Y N 0.024 120.329 120.300 0.009 0.000 2.361 646 Y HA 0.649 5.199 4.550 -0.001 0.000 0.337 646 Y C 0.574 176.525 175.900 0.084 0.000 0.965 646 Y CA -0.776 57.312 58.100 -0.020 0.000 1.091 646 Y CB 1.672 39.983 38.460 -0.248 0.000 1.182 646 Y HN 1.040 nan 8.280 nan 0.000 0.450 647 A N 2.095 125.100 122.820 0.310 0.000 2.445 647 A HA 0.454 4.774 4.320 -0.001 0.000 0.242 647 A C 0.372 178.156 177.584 0.333 0.000 1.075 647 A CA -0.217 51.993 52.037 0.288 0.000 0.777 647 A CB -0.092 19.076 19.000 0.280 0.000 1.013 647 A HN 0.774 nan 8.150 nan 0.000 0.493 648 S N 2.100 117.932 115.700 0.221 0.000 2.632 648 S HA 0.526 4.995 4.470 -0.001 0.000 0.271 648 S C -0.311 174.391 174.600 0.171 0.000 1.260 648 S CA -0.839 57.476 58.200 0.192 0.000 1.010 648 S CB 0.706 63.976 63.200 0.117 0.000 0.965 648 S HN 0.700 nan 8.310 nan 0.000 0.534 649 N N 0.435 119.213 118.700 0.130 0.000 2.310 649 N HA 0.490 5.229 4.740 -0.001 0.000 0.292 649 N C -2.024 173.439 175.510 -0.078 0.000 1.049 649 N CA -0.526 52.560 53.050 0.060 0.000 0.849 649 N CB 2.009 40.620 38.487 0.207 0.000 1.532 649 N HN 0.591 nan 8.380 nan 0.000 0.479 650 L N 2.580 123.710 121.223 -0.154 0.000 2.404 650 L HA 0.483 4.822 4.340 -0.001 0.000 0.272 650 L C -1.608 175.112 176.870 -0.250 0.000 0.980 650 L CA -0.577 54.142 54.840 -0.201 0.000 0.836 650 L CB 1.559 43.555 42.059 -0.105 0.000 1.238 650 L HN 0.423 nan 8.230 nan 0.000 0.408 651 L N 6.651 127.676 121.223 -0.329 0.000 2.265 651 L HA 0.477 4.817 4.340 -0.001 0.000 0.289 651 L C -1.223 175.624 176.870 -0.038 0.000 1.033 651 L CA -0.357 54.352 54.840 -0.218 0.000 0.814 651 L CB 1.215 43.140 42.059 -0.223 0.000 1.203 651 L HN 0.684 nan 8.230 nan 0.000 0.423 652 L N 7.072 128.291 121.223 -0.007 0.000 2.262 652 L HA 0.563 4.903 4.340 -0.001 0.000 0.288 652 L C -0.197 176.715 176.870 0.071 0.000 1.035 652 L CA -0.485 54.380 54.840 0.042 0.000 0.820 652 L CB 0.988 43.063 42.059 0.027 0.000 1.204 652 L HN 0.667 nan 8.230 nan 0.000 0.424 653 R N 2.082 122.635 120.500 0.090 0.000 2.739 653 R HA 0.400 4.739 4.340 -0.001 0.000 0.266 653 R C -1.705 174.636 176.300 0.067 0.000 1.044 653 R CA -0.990 55.157 56.100 0.078 0.000 0.885 653 R CB 1.162 31.510 30.300 0.081 0.000 1.260 653 R HN 0.159 nan 8.270 nan 0.000 0.477 654 K N 1.895 122.322 120.400 0.045 0.000 2.202 654 K HA 0.184 4.503 4.320 -0.001 0.000 0.264 654 K C -0.470 176.134 176.600 0.006 0.000 1.010 654 K CA -0.321 55.982 56.287 0.027 0.000 0.940 654 K CB 0.345 32.858 32.500 0.021 0.000 0.983 654 K HN 0.828 nan 8.250 nan 0.000 0.475 655 N N 0.391 119.083 118.700 -0.012 0.000 2.696 655 N HA -0.120 4.619 4.740 -0.001 0.000 0.256 655 N C -2.465 173.009 175.510 -0.060 0.000 1.031 655 N CA 0.367 53.393 53.050 -0.041 0.000 0.730 655 N CB -1.669 36.795 38.487 -0.039 0.000 0.894 655 N HN 0.494 nan 8.380 nan 0.000 0.544 656 P HA 0.234 nan 4.420 nan 0.000 0.274 656 P C 0.225 177.391 177.300 -0.223 0.000 1.237 656 P CA 0.070 63.099 63.100 -0.118 0.000 0.793 656 P CB 0.885 32.480 31.700 -0.175 0.000 0.977 657 T N -2.641 111.801 114.554 -0.187 0.000 2.930 657 T HA 0.492 4.841 4.350 -0.001 0.000 0.290 657 T C 0.300 174.883 174.700 -0.195 0.000 1.052 657 T CA -0.767 61.224 62.100 -0.182 0.000 1.017 657 T CB 0.646 69.472 68.868 -0.070 0.000 1.137 657 T HN 0.477 nan 8.240 nan 0.000 0.511 658 S N 0.663 116.280 115.700 -0.140 0.000 2.576 658 S HA 0.402 4.871 4.470 -0.001 0.000 0.272 658 S C -0.165 174.553 174.600 0.196 0.000 1.352 658 S CA -0.784 57.418 58.200 0.004 0.000 1.021 658 S CB -0.327 62.881 63.200 0.012 0.000 0.887 658 S HN 0.686 nan 8.310 nan 0.000 0.542 659 L N 2.069 123.495 121.223 0.340 0.000 2.481 659 L HA 0.373 4.712 4.340 -0.001 0.000 0.255 659 L C -2.400 174.577 176.870 0.178 0.000 1.192 659 L CA -1.616 53.391 54.840 0.279 0.000 0.924 659 L CB 1.496 43.797 42.059 0.404 0.000 1.179 659 L HN 0.574 nan 8.230 nan 0.000 0.491 660 P HA 0.191 nan 4.420 nan 0.000 0.271 660 P C -0.013 177.286 177.300 -0.003 0.000 1.218 660 P CA -0.146 62.990 63.100 0.060 0.000 0.780 660 P CB 1.680 33.404 31.700 0.040 0.000 0.901 661 L N 0.910 122.141 121.223 0.014 0.000 3.366 661 L HA 0.289 4.629 4.340 -0.001 0.000 0.304 661 L C 1.365 178.304 176.870 0.115 0.000 1.292 661 L CA -0.044 54.784 54.840 -0.019 0.000 1.012 661 L CB 0.073 42.091 42.059 -0.068 0.000 1.414 661 L HN 0.736 nan 8.230 nan 0.000 0.603 662 G N 1.280 110.129 108.800 0.081 0.000 2.591 662 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.298 662 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.298 662 G C 0.529 175.479 174.900 0.083 0.000 1.195 662 G CA 0.728 45.889 45.100 0.101 0.000 0.989 662 G HN 0.464 nan 8.290 nan 0.000 0.551 663 Q N -0.510 119.315 119.800 0.040 0.000 2.472 663 Q HA 0.187 4.526 4.340 -0.001 0.000 0.208 663 Q C 0.925 176.760 176.000 -0.275 0.000 0.958 663 Q CA 0.427 56.157 55.803 -0.122 0.000 0.932 663 Q CB 0.225 28.811 28.738 -0.253 0.000 1.007 663 Q HN 0.519 nan 8.270 nan 0.000 0.508 664 Y N 4.195 124.293 120.300 -0.335 0.000 2.802 664 Y HA -0.047 4.502 4.550 -0.001 0.000 0.333 664 Y C -1.388 174.367 175.900 -0.241 0.000 1.244 664 Y CA -1.560 56.326 58.100 -0.358 0.000 1.558 664 Y CB 0.808 39.208 38.460 -0.099 0.000 1.233 664 Y HN 0.046 nan 8.280 nan 0.000 0.547 665 P HA -0.054 nan 4.420 nan 0.000 0.241 665 P C -0.665 176.488 177.300 -0.245 0.000 1.191 665 P CA 0.962 63.811 63.100 -0.419 0.000 0.771 665 P CB 0.514 31.858 31.700 -0.593 0.000 0.929 666 E N 1.043 121.128 120.200 -0.191 0.000 2.158 666 E HA 0.215 4.564 4.350 -0.001 0.000 0.271 666 E C -0.532 176.188 176.600 0.199 0.000 0.911 666 E CA -0.566 55.860 56.400 0.044 0.000 0.767 666 E CB 1.303 31.068 29.700 0.109 0.000 1.120 666 E HN 0.028 nan 8.360 nan 0.000 0.405 667 D N 1.354 121.834 120.400 0.132 0.000 2.389 667 D HA 0.074 4.713 4.640 -0.001 0.000 0.247 667 D C 0.191 176.565 176.300 0.124 0.000 1.128 667 D CA -0.206 53.878 54.000 0.141 0.000 0.884 667 D CB 1.082 41.952 40.800 0.116 0.000 1.194 667 D HN 0.035 nan 8.370 nan 0.000 0.441 668 V N 2.837 122.813 119.914 0.104 0.000 2.673 668 V HA -0.046 4.074 4.120 -0.001 0.000 0.303 668 V C 0.656 176.616 176.094 -0.223 0.000 1.046 668 V CA 0.285 62.551 62.300 -0.057 0.000 1.126 668 V CB 0.449 32.214 31.823 -0.097 0.000 0.934 668 V HN 0.370 nan 8.190 nan 0.000 0.487 669 K N 3.597 123.796 120.400 -0.334 0.000 2.118 669 K HA 0.732 5.052 4.320 -0.001 0.000 0.254 669 K C -0.982 175.252 176.600 -0.610 0.000 0.961 669 K CA -0.182 55.944 56.287 -0.267 0.000 0.876 669 K CB 1.244 33.694 32.500 -0.084 0.000 1.077 669 K HN 0.406 nan 8.250 nan 0.000 0.440 670 F N -0.467 119.500 119.950 0.029 0.000 2.577 670 F HA 0.785 5.312 4.527 -0.001 0.000 0.318 670 F C 0.599 176.408 175.800 0.016 0.000 1.065 670 F CA -0.629 57.381 58.000 0.016 0.000 0.929 670 F CB 2.722 41.732 39.000 0.016 0.000 1.237 670 F HN 0.525 nan 8.300 nan 0.000 0.468 671 G N 0.395 109.304 108.800 0.182 0.000 2.646 671 G HA2 0.401 4.361 3.960 -0.001 0.000 0.291 671 G HA3 0.401 4.361 3.960 -0.001 0.000 0.291 671 G C -2.099 172.859 174.900 0.096 0.000 1.445 671 G CA -0.849 44.320 45.100 0.114 0.000 0.814 671 G HN 0.369 nan 8.290 nan 0.000 0.495 672 D N 0.876 121.319 120.400 0.072 0.000 2.382 672 D HA 0.351 4.991 4.640 -0.001 0.000 0.240 672 D C -1.959 174.374 176.300 0.055 0.000 1.146 672 D CA -0.525 53.510 54.000 0.059 0.000 0.897 672 D CB 0.906 41.734 40.800 0.046 0.000 1.197 672 D HN -0.000 nan 8.370 nan 0.000 0.432 673 P HA 0.062 nan 4.420 nan 0.000 0.264 673 P C -0.432 176.899 177.300 0.052 0.000 1.183 673 P CA 0.416 63.549 63.100 0.055 0.000 0.763 673 P CB 0.390 32.124 31.700 0.058 0.000 0.807 674 R N 0.352 120.885 120.500 0.055 0.000 2.690 674 R HA 0.405 4.744 4.340 -0.001 0.000 0.269 674 R C -1.158 175.184 176.300 0.070 0.000 1.037 674 R CA -1.006 55.127 56.100 0.055 0.000 0.877 674 R CB 1.097 31.425 30.300 0.047 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.824 122.066 120.200 0.070 0.000 2.398 675 E HA 0.246 4.596 4.350 -0.001 0.000 0.263 675 E C 0.013 176.673 176.600 0.100 0.000 1.046 675 E CA 0.060 56.516 56.400 0.093 0.000 0.908 675 E CB 0.799 30.538 29.700 0.066 0.000 0.963 675 E HN 0.460 nan 8.360 nan 0.000 0.431 676 I N -2.118 118.546 120.570 0.156 0.000 3.095 676 I HA 0.549 4.718 4.170 -0.001 0.000 0.310 676 I C -0.762 175.503 176.117 0.246 0.000 1.196 676 I CA -0.785 60.607 61.300 0.154 0.000 0.985 676 I CB 2.497 40.560 38.000 0.106 0.000 1.250 676 I HN 0.146 nan 8.210 nan 0.000 0.446 677 S N 3.364 119.180 115.700 0.195 0.000 2.548 677 S HA 0.836 5.305 4.470 -0.001 0.000 0.286 677 S C -0.844 173.879 174.600 0.203 0.000 1.098 677 S CA -0.658 57.675 58.200 0.223 0.000 0.930 677 S CB 1.800 65.084 63.200 0.140 0.000 1.070 677 S HN 0.546 nan 8.310 nan 0.000 0.480 678 L N 1.856 123.226 121.223 0.245 0.000 2.409 678 L HA 0.685 5.024 4.340 -0.001 0.000 0.262 678 L C -0.484 176.480 176.870 0.157 0.000 0.992 678 L CA -0.636 54.317 54.840 0.188 0.000 0.817 678 L CB 2.298 44.484 42.059 0.211 0.000 1.350 678 L HN 0.524 nan 8.230 nan 0.000 0.411 679 R N 1.696 122.265 120.500 0.114 0.000 2.533 679 R HA 0.649 4.989 4.340 -0.001 0.000 0.288 679 R C -2.016 174.331 176.300 0.078 0.000 1.039 679 R CA -0.492 55.663 56.100 0.091 0.000 0.909 679 R CB 2.269 32.613 30.300 0.073 0.000 1.195 679 R HN 0.398 nan 8.270 nan 0.000 0.438 680 V N 4.683 124.641 119.914 0.073 0.000 2.427 680 V HA 0.542 4.662 4.120 -0.001 0.000 0.286 680 V C 1.122 177.246 176.094 0.051 0.000 1.034 680 V CA 0.649 62.987 62.300 0.063 0.000 0.893 680 V CB 1.045 32.908 31.823 0.066 0.000 0.982 680 V HN 1.116 nan 8.190 nan 0.000 0.452 681 G N 5.373 114.201 108.800 0.047 0.000 2.596 681 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.295 681 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.295 681 G C 0.341 175.261 174.900 0.034 0.000 1.240 681 G CA 0.704 45.828 45.100 0.039 0.000 0.985 681 G HN 1.258 nan 8.290 nan 0.000 0.555 682 N N 1.467 120.184 118.700 0.027 0.000 2.279 682 N HA 0.460 5.199 4.740 -0.001 0.000 0.226 682 N C 0.845 176.364 175.510 0.015 0.000 1.126 682 N CA 1.048 54.109 53.050 0.020 0.000 0.846 682 N CB 0.271 38.767 38.487 0.015 0.000 1.050 682 N HN 0.936 nan 8.380 nan 0.000 0.502 683 G N 0.586 109.399 108.800 0.022 0.000 2.509 683 G HA2 0.405 4.365 3.960 -0.001 0.000 0.269 683 G HA3 0.405 4.365 3.960 -0.001 0.000 0.269 683 G C -2.455 172.454 174.900 0.015 0.000 1.416 683 G CA -1.234 43.876 45.100 0.018 0.000 1.052 683 G HN 0.157 nan 8.290 nan 0.000 0.542 684 P HA 0.227 nan 4.420 nan 0.000 0.274 684 P C -0.572 176.741 177.300 0.023 0.000 1.237 684 P CA 0.024 63.125 63.100 0.002 0.000 0.793 684 P CB 0.910 32.606 31.700 -0.005 0.000 0.977 685 T N 2.403 116.964 114.554 0.012 0.000 2.749 685 T HA 0.447 4.797 4.350 -0.001 0.000 0.287 685 T C -0.015 174.712 174.700 0.045 0.000 0.970 685 T CA -0.376 61.755 62.100 0.051 0.000 0.980 685 T CB 0.091 68.998 68.868 0.064 0.000 0.924 685 T HN 0.170 nan 8.240 nan 0.000 0.456 686 L N 2.797 124.059 121.223 0.065 0.000 2.307 686 L HA 0.765 5.104 4.340 -0.001 0.000 0.284 686 L C 0.214 177.038 176.870 -0.076 0.000 1.023 686 L CA -1.119 53.685 54.840 -0.061 0.000 0.810 686 L CB 1.501 43.515 42.059 -0.075 0.000 1.231 686 L HN 0.640 nan 8.230 nan 0.000 0.423 687 A N 3.377 126.066 122.820 -0.219 0.000 2.337 687 A HA 0.860 5.179 4.320 -0.001 0.000 0.329 687 A C -1.194 176.179 177.584 -0.352 0.000 1.146 687 A CA -0.310 51.655 52.037 -0.120 0.000 0.800 687 A CB 0.813 19.790 19.000 -0.038 0.000 1.220 687 A HN 0.505 nan 8.150 nan 0.000 0.472 688 F N 0.866 120.862 119.950 0.077 0.000 2.546 688 F HA 0.521 5.047 4.527 -0.001 0.000 0.320 688 F C 1.092 176.940 175.800 0.082 0.000 1.076 688 F CA -0.313 57.747 58.000 0.101 0.000 0.928 688 F CB 2.162 41.224 39.000 0.104 0.000 1.189 688 F HN 0.679 nan 8.300 nan 0.000 0.465 689 S N 0.197 116.060 115.700 0.271 0.000 2.596 689 S HA 0.070 4.539 4.470 -0.001 0.000 0.260 689 S C 1.126 175.834 174.600 0.180 0.000 1.336 689 S CA 0.001 58.310 58.200 0.181 0.000 0.993 689 S CB 0.688 63.997 63.200 0.181 0.000 0.923 689 S HN 0.872 nan 8.310 nan 0.000 0.567 690 E N 0.056 120.330 120.200 0.123 0.000 2.333 690 E HA -0.228 4.122 4.350 -0.001 0.000 0.198 690 E C 1.307 177.973 176.600 0.109 0.000 1.007 690 E CA 1.139 57.601 56.400 0.103 0.000 0.845 690 E CB -0.392 29.353 29.700 0.075 0.000 0.766 690 E HN 0.785 nan 8.360 nan 0.000 0.507 691 Q N -0.096 119.783 119.800 0.132 0.000 2.320 691 Q HA 0.220 4.559 4.340 -0.001 0.000 0.201 691 Q C 0.847 176.940 176.000 0.154 0.000 0.910 691 Q CA 0.485 56.365 55.803 0.129 0.000 0.946 691 Q CB 0.989 29.803 28.738 0.126 0.000 1.062 691 Q HN 0.474 nan 8.270 nan 0.000 0.503 692 G N 0.312 109.227 108.800 0.191 0.000 2.132 692 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.234 692 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.234 692 G C -0.379 174.753 174.900 0.387 0.000 0.989 692 G CA -0.277 44.944 45.100 0.201 0.000 0.676 692 G HN 0.233 nan 8.290 nan 0.000 0.522 693 L N -0.022 121.468 121.223 0.444 0.000 2.329 693 L HA 0.698 5.037 4.340 -0.001 0.000 0.279 693 L C 0.763 177.930 176.870 0.496 0.000 1.014 693 L CA -1.286 53.858 54.840 0.507 0.000 0.814 693 L CB 1.624 43.883 42.059 0.333 0.000 1.257 693 L HN 0.151 nan 8.230 nan 0.000 0.424 694 L N 3.489 124.979 121.223 0.445 0.000 2.559 694 L HA -0.060 4.280 4.340 -0.001 0.000 0.282 694 L C 1.089 178.023 176.870 0.106 0.000 1.232 694 L CA 0.963 55.806 54.840 0.006 0.000 0.885 694 L CB 0.130 42.231 42.059 0.069 0.000 1.131 694 L HN 0.839 nan 8.230 nan 0.000 0.498 695 K N 1.418 121.781 120.400 -0.062 0.000 2.474 695 K HA 0.315 4.635 4.320 -0.001 0.000 0.204 695 K C -0.081 176.458 176.600 -0.102 0.000 1.220 695 K CA 0.324 56.592 56.287 -0.032 0.000 0.966 695 K CB 0.435 32.894 32.500 -0.069 0.000 1.049 695 K HN 0.606 nan 8.250 nan 0.000 0.554 696 S N 0.329 115.948 115.700 -0.136 0.000 2.552 696 S HA 0.574 5.043 4.470 -0.001 0.000 0.272 696 S C -1.166 173.377 174.600 -0.095 0.000 1.150 696 S CA -1.002 57.144 58.200 -0.091 0.000 0.849 696 S CB 1.291 64.484 63.200 -0.012 0.000 1.113 696 S HN 0.183 nan 8.310 nan 0.000 0.458 697 I N 1.582 122.108 120.570 -0.074 0.000 2.498 697 I HA 0.470 4.639 4.170 -0.001 0.000 0.290 697 I C -0.547 175.518 176.117 -0.087 0.000 1.032 697 I CA -0.404 60.851 61.300 -0.075 0.000 1.073 697 I CB 2.158 40.106 38.000 -0.086 0.000 1.251 697 I HN 0.738 nan 8.210 nan 0.000 0.426 698 Q N 6.003 125.736 119.800 -0.112 0.000 2.357 698 Q HA 0.415 4.754 4.340 -0.001 0.000 0.266 698 Q C -0.011 175.909 176.000 -0.133 0.000 1.021 698 Q CA -0.509 55.162 55.803 -0.221 0.000 0.784 698 Q CB 1.682 30.139 28.738 -0.468 0.000 1.243 698 Q HN 0.777 nan 8.270 nan 0.000 0.465 699 L N 1.974 123.130 121.223 -0.112 0.000 2.056 699 L HA -0.021 4.318 4.340 -0.001 0.000 0.207 699 L C 1.158 177.990 176.870 -0.062 0.000 1.078 699 L CA 1.292 56.088 54.840 -0.074 0.000 0.749 699 L CB -0.246 41.774 42.059 -0.066 0.000 0.901 699 L HN 0.670 nan 8.230 nan 0.000 0.433 700 T N -6.561 107.948 114.554 -0.075 0.000 2.865 700 T HA 0.204 4.553 4.350 -0.001 0.000 0.294 700 T C 0.535 175.197 174.700 -0.064 0.000 1.119 700 T CA -0.846 61.221 62.100 -0.055 0.000 1.007 700 T CB 1.784 70.625 68.868 -0.044 0.000 1.225 700 T HN -0.134 nan 8.240 nan 0.000 0.515 701 Q N 0.876 120.654 119.800 -0.037 0.000 2.156 701 Q HA -0.195 4.144 4.340 -0.001 0.000 0.211 701 Q C 1.658 177.638 176.000 -0.034 0.000 0.995 701 Q CA 2.600 58.387 55.803 -0.026 0.000 0.877 701 Q CB -0.355 28.378 28.738 -0.008 0.000 0.920 701 Q HN 0.902 nan 8.270 nan 0.000 0.416 702 D N -0.507 119.870 120.400 -0.038 0.000 2.327 702 D HA -0.035 4.605 4.640 -0.001 0.000 0.205 702 D C 0.818 177.086 176.300 -0.052 0.000 0.989 702 D CA 0.400 54.381 54.000 -0.032 0.000 0.873 702 D CB -0.314 40.474 40.800 -0.021 0.000 0.955 702 D HN 0.059 nan 8.370 nan 0.000 0.515 703 S N 0.785 116.434 115.700 -0.085 0.000 2.589 703 S HA 0.363 4.833 4.470 -0.001 0.000 0.265 703 S C -2.480 172.036 174.600 -0.140 0.000 1.342 703 S CA -1.121 57.020 58.200 -0.098 0.000 1.005 703 S CB 0.390 63.531 63.200 -0.099 0.000 0.909 703 S HN -0.114 nan 8.310 nan 0.000 0.555 704 P HA 0.127 nan 4.420 nan 0.000 0.269 704 P C -0.488 176.720 177.300 -0.153 0.000 1.215 704 P CA -0.065 62.998 63.100 -0.062 0.000 0.780 704 P CB 0.140 31.829 31.700 -0.017 0.000 0.898 705 H N 0.853 119.907 119.070 -0.026 0.000 3.067 705 H HA 0.121 4.677 4.556 -0.001 0.000 0.265 705 H C -0.137 175.158 175.328 -0.055 0.000 1.234 705 H CA -0.309 55.714 56.048 -0.041 0.000 1.452 705 H CB -0.122 29.618 29.762 -0.037 0.000 1.527 705 H HN 0.116 nan 8.280 nan 0.000 0.486 706 V N 6.986 126.890 119.914 -0.016 0.000 2.479 706 V HA 0.037 4.156 4.120 -0.001 0.000 0.281 706 V C -1.863 174.180 176.094 -0.085 0.000 1.031 706 V CA -1.462 60.808 62.300 -0.049 0.000 1.038 706 V CB 0.581 32.363 31.823 -0.068 0.000 0.981 706 V HN 0.545 nan 8.190 nan 0.000 0.478 707 P HA 0.157 nan 4.420 nan 0.000 0.266 707 P C -0.763 176.396 177.300 -0.234 0.000 1.215 707 P CA 0.270 63.235 63.100 -0.226 0.000 0.763 707 P CB 0.450 31.889 31.700 -0.436 0.000 0.806 708 V N 4.316 124.121 119.914 -0.182 0.000 2.498 708 V HA 0.217 4.337 4.120 -0.001 0.000 0.283 708 V C -0.738 175.262 176.094 -0.156 0.000 1.015 708 V CA -0.432 61.747 62.300 -0.201 0.000 0.867 708 V CB 1.076 32.769 31.823 -0.217 0.000 1.025 708 V HN 0.538 nan 8.190 nan 0.000 0.441 709 H N 4.343 123.253 119.070 -0.267 0.000 2.466 709 H HA 0.688 5.244 4.556 -0.001 0.000 0.338 709 H C -1.312 173.891 175.328 -0.210 0.000 1.091 709 H CA -1.092 54.847 56.048 -0.181 0.000 1.207 709 H CB 1.215 30.911 29.762 -0.111 0.000 1.466 709 H HN 0.379 nan 8.280 nan 0.000 0.493 710 F N 3.734 123.465 119.950 -0.366 0.000 2.396 710 F HA 0.395 4.922 4.527 -0.001 0.000 0.343 710 F C 0.337 175.671 175.800 -0.777 0.000 1.104 710 F CA -0.187 57.522 58.000 -0.485 0.000 1.161 710 F CB 0.988 39.819 39.000 -0.283 0.000 1.146 710 F HN 0.455 nan 8.300 nan 0.000 0.522 711 K N 3.309 123.463 120.400 -0.410 0.000 2.523 711 K HA 0.503 4.822 4.320 -0.001 0.000 0.257 711 K C -1.956 174.373 176.600 -0.452 0.000 0.932 711 K CA -0.556 55.513 56.287 -0.364 0.000 0.812 711 K CB 1.297 33.635 32.500 -0.271 0.000 1.326 711 K HN 0.382 nan 8.250 nan 0.000 0.433 712 F N 4.124 123.992 119.950 -0.136 0.000 2.420 712 F HA 0.477 5.003 4.527 -0.001 0.000 0.342 712 F C -0.310 175.444 175.800 -0.076 0.000 1.113 712 F CA -0.558 57.377 58.000 -0.107 0.000 1.059 712 F CB 1.087 40.008 39.000 -0.131 0.000 1.128 712 F HN 0.242 nan 8.300 nan 0.000 0.475 713 L N 2.714 123.976 121.223 0.066 0.000 2.277 713 L HA 0.644 4.983 4.340 -0.001 0.000 0.254 713 L C -1.107 175.760 176.870 -0.006 0.000 1.044 713 L CA -1.040 53.793 54.840 -0.012 0.000 0.842 713 L CB 2.208 44.199 42.059 -0.113 0.000 1.422 713 L HN 0.492 nan 8.230 nan 0.000 0.422 714 K N -0.426 119.930 120.400 -0.073 0.000 2.443 714 K HA 0.639 4.958 4.320 -0.001 0.000 0.252 714 K C -1.805 174.735 176.600 -0.100 0.000 0.933 714 K CA -0.774 55.502 56.287 -0.018 0.000 0.792 714 K CB 1.624 34.142 32.500 0.030 0.000 1.185 714 K HN 0.250 nan 8.250 nan 0.000 0.425 715 Y N 0.785 121.147 120.300 0.103 0.000 2.352 715 Y HA 0.511 5.061 4.550 -0.001 0.000 0.326 715 Y C 1.054 177.013 175.900 0.099 0.000 1.166 715 Y CA 0.077 58.251 58.100 0.123 0.000 1.182 715 Y CB 2.084 40.686 38.460 0.237 0.000 1.216 715 Y HN 0.917 nan 8.280 nan 0.000 0.474 716 G N 0.566 109.513 108.800 0.246 0.000 2.971 716 G HA2 0.633 4.593 3.960 -0.001 0.000 0.235 716 G HA3 0.633 4.593 3.960 -0.001 0.000 0.235 716 G C -1.426 173.553 174.900 0.133 0.000 1.351 716 G CA -0.729 44.460 45.100 0.149 0.000 1.039 716 G HN 0.440 nan 8.290 nan 0.000 0.563 717 V N -0.224 119.735 119.914 0.075 0.000 2.864 717 V HA 0.477 4.596 4.120 -0.001 0.000 0.314 717 V C -0.038 176.065 176.094 0.014 0.000 1.073 717 V CA -0.870 61.457 62.300 0.045 0.000 0.956 717 V CB 1.974 33.822 31.823 0.041 0.000 1.023 717 V HN 0.684 nan 8.190 nan 0.000 0.435 718 R N 1.208 121.707 120.500 -0.002 0.000 2.543 718 R HA 0.237 4.577 4.340 -0.001 0.000 0.277 718 R C 1.086 177.353 176.300 -0.056 0.000 1.074 718 R CA 0.393 56.486 56.100 -0.013 0.000 1.076 718 R CB 0.656 30.957 30.300 0.001 0.000 0.993 718 R HN 0.902 nan 8.270 nan 0.000 0.459 719 S N 0.971 116.596 115.700 -0.124 0.000 2.548 719 S HA 0.064 4.533 4.470 -0.001 0.000 0.215 719 S C 0.334 174.616 174.600 -0.529 0.000 0.976 719 S CA -0.031 57.988 58.200 -0.303 0.000 0.908 719 S CB 0.143 63.121 63.200 -0.370 0.000 0.781 719 S HN 0.549 nan 8.310 nan 0.000 0.519 720 H N 0.241 119.311 119.070 -0.000 0.000 2.768 720 H HA 0.585 5.140 4.556 -0.001 0.000 0.371 720 H C 0.941 176.266 175.328 -0.006 0.000 1.151 720 H CA -0.072 55.974 56.048 -0.003 0.000 1.165 720 H CB 1.345 31.105 29.762 -0.003 0.000 1.722 720 H HN 0.380 nan 8.280 nan 0.000 0.543 721 G N 2.458 111.325 108.800 0.111 0.000 2.525 721 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 721 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 721 G C -0.755 174.158 174.900 0.021 0.000 1.238 721 G CA -0.251 44.880 45.100 0.053 0.000 0.926 721 G HN 0.602 nan 8.290 nan 0.000 0.574 722 D N 1.477 121.882 120.400 0.008 0.000 2.304 722 D HA 0.584 5.223 4.640 -0.001 0.000 0.250 722 D C 0.863 177.156 176.300 -0.011 0.000 1.107 722 D CA 0.124 54.119 54.000 -0.008 0.000 0.885 722 D CB 0.990 41.780 40.800 -0.017 0.000 1.192 722 D HN 0.443 nan 8.370 nan 0.000 0.436 723 R N 0.506 120.998 120.500 -0.013 0.000 2.428 723 R HA 0.357 4.696 4.340 -0.001 0.000 0.294 723 R C 0.061 176.359 176.300 -0.003 0.000 1.000 723 R CA -0.524 55.572 56.100 -0.006 0.000 0.960 723 R CB 0.982 31.280 30.300 -0.002 0.000 1.076 723 R HN 0.215 nan 8.270 nan 0.000 0.475 724 S N 0.524 116.233 115.700 0.015 0.000 2.563 724 S HA 0.444 4.913 4.470 -0.001 0.000 0.284 724 S C 0.449 175.071 174.600 0.038 0.000 1.331 724 S CA 0.353 58.578 58.200 0.041 0.000 1.047 724 S CB 0.884 64.141 63.200 0.095 0.000 0.859 724 S HN 0.749 nan 8.310 nan 0.000 0.514 725 G N 0.014 108.838 108.800 0.040 0.000 2.815 725 G HA2 0.593 4.552 3.960 -0.001 0.000 0.305 725 G HA3 0.593 4.552 3.960 -0.001 0.000 0.305 725 G C 0.579 175.508 174.900 0.048 0.000 1.277 725 G CA -0.130 45.000 45.100 0.050 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.260 121.582 122.820 0.036 0.000 1.978 726 A HA 0.047 4.367 4.320 -0.001 0.000 0.220 726 A C 1.925 179.443 177.584 -0.111 0.000 1.170 726 A CA 2.078 54.081 52.037 -0.057 0.000 0.636 726 A CB -0.639 18.269 19.000 -0.154 0.000 0.810 726 A HN 0.591 nan 8.150 nan 0.000 0.448 727 Y N -0.836 119.407 120.300 -0.095 0.000 2.266 727 Y HA 0.336 4.886 4.550 -0.001 0.000 0.294 727 Y C 0.918 176.715 175.900 -0.173 0.000 1.127 727 Y CA 0.075 58.048 58.100 -0.210 0.000 1.140 727 Y CB -0.154 37.839 38.460 -0.779 0.000 1.071 727 Y HN 0.022 nan 8.280 nan 0.000 0.525 728 L N 0.584 121.772 121.223 -0.058 0.000 2.312 728 L HA 0.201 4.541 4.340 -0.001 0.000 0.281 728 L C -1.115 175.810 176.870 0.092 0.000 1.070 728 L CA -0.551 54.257 54.840 -0.054 0.000 0.805 728 L CB 0.912 42.884 42.059 -0.145 0.000 1.174 728 L HN 0.034 nan 8.230 nan 0.000 0.434 729 F N 4.929 124.826 119.950 -0.090 0.000 2.361 729 F HA 0.482 5.009 4.527 -0.001 0.000 0.364 729 F C -0.709 175.019 175.800 -0.121 0.000 1.117 729 F CA -1.134 56.775 58.000 -0.152 0.000 1.071 729 F CB 0.657 39.499 39.000 -0.264 0.000 1.188 729 F HN 0.210 nan 8.300 nan 0.000 0.464 730 L N 9.115 130.237 121.223 -0.169 0.000 2.529 730 L HA 0.330 4.670 4.340 -0.001 0.000 0.246 730 L C -2.366 174.337 176.870 -0.279 0.000 1.394 730 L CA -1.718 52.977 54.840 -0.242 0.000 0.906 730 L CB 1.062 43.071 42.059 -0.083 0.000 1.170 730 L HN 0.391 nan 8.230 nan 0.000 0.501 731 P HA 0.049 nan 4.420 nan 0.000 0.272 731 P C -0.492 176.742 177.300 -0.110 0.000 1.230 731 P CA -0.289 62.634 63.100 -0.295 0.000 0.788 731 P CB 0.595 31.994 31.700 -0.503 0.000 0.949 732 N N 0.882 119.588 118.700 0.010 0.000 3.250 732 N HA 0.289 5.028 4.740 -0.001 0.000 0.307 732 N C 0.601 176.137 175.510 0.042 0.000 1.355 732 N CA -0.238 52.824 53.050 0.021 0.000 1.192 732 N CB -0.725 37.782 38.487 0.033 0.000 1.478 732 N HN 0.735 nan 8.380 nan 0.000 0.543 733 G N 0.727 109.548 108.800 0.036 0.000 2.592 733 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.684 733 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.684 733 G C -3.109 171.866 174.900 0.124 0.000 1.291 733 G CA -1.129 44.002 45.100 0.052 0.000 0.891 733 G HN 0.337 nan 8.290 nan 0.000 0.544 734 P HA 0.452 nan 4.420 nan 0.000 0.268 734 P C 0.540 177.788 177.300 -0.086 0.000 1.208 734 P CA 0.658 63.811 63.100 0.088 0.000 0.777 734 P CB 0.395 32.119 31.700 0.040 0.000 0.875 735 A N 2.194 124.767 122.820 -0.412 0.000 2.466 735 A HA 0.428 4.748 4.320 -0.001 0.000 0.238 735 A C 0.400 177.830 177.584 -0.257 0.000 1.074 735 A CA 0.163 51.815 52.037 -0.641 0.000 0.774 735 A CB -0.425 17.942 19.000 -1.054 0.000 1.015 735 A HN 0.575 nan 8.150 nan 0.000 0.498 736 S N 1.596 117.187 115.700 -0.181 0.000 2.501 736 S HA 0.698 5.167 4.470 -0.001 0.000 0.301 736 S C -3.018 171.544 174.600 -0.063 0.000 1.096 736 S CA -1.727 56.422 58.200 -0.085 0.000 1.063 736 S CB 1.352 64.525 63.200 -0.045 0.000 1.042 736 S HN 0.454 nan 8.310 nan 0.000 0.494 737 P HA 0.117 nan 4.420 nan 0.000 0.265 737 P C -0.524 176.781 177.300 0.010 0.000 1.193 737 P CA -0.320 62.777 63.100 -0.005 0.000 0.765 737 P CB 0.277 31.985 31.700 0.013 0.000 0.823 738 V N 4.065 123.997 119.914 0.030 0.000 2.585 738 V HA -0.043 4.077 4.120 -0.001 0.000 0.296 738 V C 0.958 177.067 176.094 0.025 0.000 1.035 738 V CA 0.303 62.621 62.300 0.029 0.000 1.084 738 V CB -0.374 31.474 31.823 0.041 0.000 0.953 738 V HN 0.522 nan 8.190 nan 0.000 0.483 739 E N 4.701 124.910 120.200 0.015 0.000 2.265 739 E HA 0.137 4.486 4.350 -0.001 0.000 0.272 739 E C 0.517 177.124 176.600 0.013 0.000 1.067 739 E CA -0.179 56.231 56.400 0.017 0.000 0.900 739 E CB 0.751 30.460 29.700 0.014 0.000 1.017 739 E HN 0.560 nan 8.360 nan 0.000 0.431 740 L N 2.776 124.013 121.223 0.022 0.000 2.375 740 L HA 0.094 4.433 4.340 -0.001 0.000 0.215 740 L C 1.391 178.274 176.870 0.021 0.000 1.108 740 L CA 0.468 55.319 54.840 0.017 0.000 0.830 740 L CB -0.715 41.365 42.059 0.035 0.000 0.959 740 L HN 0.876 nan 8.230 nan 0.000 0.457 741 G N 0.732 109.548 108.800 0.027 0.000 2.566 741 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.280 741 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.280 741 G C -0.213 174.710 174.900 0.038 0.000 1.225 741 G CA -0.091 45.028 45.100 0.031 0.000 0.966 741 G HN 0.359 nan 8.290 nan 0.000 0.560 742 Q N 1.841 121.666 119.800 0.042 0.000 2.571 742 Q HA 0.513 4.852 4.340 -0.001 0.000 0.243 742 Q C -2.102 173.934 176.000 0.060 0.000 1.055 742 Q CA -1.147 54.685 55.803 0.049 0.000 0.815 742 Q CB 1.641 30.405 28.738 0.044 0.000 1.151 742 Q HN 0.666 nan 8.270 nan 0.000 0.519 743 P HA 0.169 nan 4.420 nan 0.000 0.277 743 P C -0.544 176.823 177.300 0.111 0.000 1.240 743 P CA -0.481 62.666 63.100 0.080 0.000 0.798 743 P CB 1.090 32.819 31.700 0.048 0.000 0.979 744 V N 2.331 122.349 119.914 0.173 0.000 2.488 744 V HA 0.136 4.256 4.120 -0.001 0.000 0.277 744 V C 0.498 176.753 176.094 0.269 0.000 1.046 744 V CA -0.218 62.211 62.300 0.215 0.000 0.986 744 V CB 1.188 33.178 31.823 0.278 0.000 0.989 744 V HN 0.264 nan 8.190 nan 0.000 0.475 745 V N 6.325 126.339 119.914 0.167 0.000 2.495 745 V HA 0.493 4.613 4.120 -0.001 0.000 0.298 745 V C -0.443 175.677 176.094 0.042 0.000 1.031 745 V CA -0.649 61.725 62.300 0.124 0.000 0.871 745 V CB 1.724 33.578 31.823 0.052 0.000 0.988 745 V HN 0.669 nan 8.190 nan 0.000 0.432 746 L N 6.431 127.672 121.223 0.029 0.000 2.325 746 L HA 0.740 5.080 4.340 -0.001 0.000 0.281 746 L C -0.677 176.084 176.870 -0.182 0.000 1.004 746 L CA -0.032 54.701 54.840 -0.178 0.000 0.823 746 L CB 1.802 43.649 42.059 -0.354 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.415 747 V N 4.043 123.839 119.914 -0.196 0.000 2.384 747 V HA 0.560 4.680 4.120 -0.001 0.000 0.287 747 V C -0.000 176.028 176.094 -0.110 0.000 1.020 747 V CA -0.394 61.813 62.300 -0.155 0.000 0.850 747 V CB 1.579 33.327 31.823 -0.126 0.000 0.987 747 V HN 0.839 nan 8.190 nan 0.000 0.436 748 T N 5.381 119.900 114.554 -0.059 0.000 2.792 748 T HA 0.444 4.794 4.350 -0.001 0.000 0.280 748 T C -0.420 174.311 174.700 0.052 0.000 0.990 748 T CA -0.565 61.555 62.100 0.035 0.000 0.960 748 T CB 1.132 70.060 68.868 0.099 0.000 0.939 748 T HN 0.661 nan 8.240 nan 0.000 0.439 749 K N 2.423 122.870 120.400 0.079 0.000 2.450 749 K HA 0.680 4.999 4.320 -0.001 0.000 0.257 749 K C -0.436 176.225 176.600 0.101 0.000 0.953 749 K CA -0.587 55.746 56.287 0.076 0.000 0.844 749 K CB 1.067 33.605 32.500 0.063 0.000 1.103 749 K HN 0.790 nan 8.250 nan 0.000 0.429 750 G N 2.273 111.130 108.800 0.094 0.000 2.605 750 G HA2 0.181 4.140 3.960 -0.001 0.000 0.296 750 G HA3 0.181 4.140 3.960 -0.001 0.000 0.296 750 G C -0.199 174.747 174.900 0.076 0.000 1.304 750 G CA -0.628 44.529 45.100 0.095 0.000 0.941 750 G HN 0.655 nan 8.290 nan 0.000 0.475 751 K N -0.271 120.170 120.400 0.067 0.000 2.148 751 K HA 0.131 4.451 4.320 -0.001 0.000 0.204 751 K C 1.815 178.451 176.600 0.059 0.000 1.050 751 K CA 1.158 57.480 56.287 0.059 0.000 0.942 751 K CB -0.149 32.382 32.500 0.051 0.000 0.724 751 K HN 0.426 nan 8.250 nan 0.000 0.446 752 L N -0.869 120.391 121.223 0.061 0.000 2.425 752 L HA 0.221 4.560 4.340 -0.001 0.000 0.215 752 L C 0.466 177.371 176.870 0.058 0.000 1.065 752 L CA 0.018 54.894 54.840 0.060 0.000 0.842 752 L CB 0.394 42.491 42.059 0.064 0.000 1.033 752 L HN 0.143 nan 8.230 nan 0.000 0.474 753 E N -0.245 119.995 120.200 0.067 0.000 2.321 753 E HA 0.396 4.745 4.350 -0.001 0.000 0.281 753 E C -1.508 175.138 176.600 0.076 0.000 0.910 753 E CA -0.207 56.233 56.400 0.067 0.000 0.770 753 E CB 2.163 31.901 29.700 0.065 0.000 1.225 753 E HN -0.126 nan 8.360 nan 0.000 0.417 754 S N 1.234 116.977 115.700 0.071 0.000 2.599 754 S HA 0.783 5.253 4.470 -0.001 0.000 0.294 754 S C -1.260 173.368 174.600 0.047 0.000 1.094 754 S CA -0.667 57.572 58.200 0.064 0.000 0.931 754 S CB 1.794 65.033 63.200 0.066 0.000 1.093 754 S HN 0.622 nan 8.310 nan 0.000 0.488 755 S N -0.093 115.612 115.700 0.009 0.000 2.565 755 S HA 0.749 5.218 4.470 -0.001 0.000 0.269 755 S C -1.740 172.773 174.600 -0.145 0.000 1.153 755 S CA -0.725 57.453 58.200 -0.036 0.000 0.835 755 S CB 1.076 64.278 63.200 0.002 0.000 1.122 755 S HN 0.460 nan 8.310 nan 0.000 0.462 756 V N 1.896 121.662 119.914 -0.246 0.000 2.483 756 V HA 0.733 4.852 4.120 -0.001 0.000 0.297 756 V C -0.478 175.488 176.094 -0.214 0.000 1.027 756 V CA -0.406 61.676 62.300 -0.363 0.000 0.855 756 V CB 1.541 32.825 31.823 -0.900 0.000 0.995 756 V HN 0.979 nan 8.190 nan 0.000 0.424 757 S N 3.198 118.831 115.700 -0.112 0.000 2.500 757 S HA 0.790 5.259 4.470 -0.001 0.000 0.301 757 S C -0.845 173.713 174.600 -0.070 0.000 1.092 757 S CA -0.613 57.538 58.200 -0.082 0.000 1.030 757 S CB 2.136 65.397 63.200 0.102 0.000 1.031 757 S HN 0.666 nan 8.310 nan 0.000 0.483 758 V N 2.120 121.865 119.914 -0.282 0.000 2.760 758 V HA 0.814 4.934 4.120 -0.001 0.000 0.309 758 V C -0.068 175.666 176.094 -0.601 0.000 1.077 758 V CA -0.429 61.711 62.300 -0.267 0.000 0.910 758 V CB 1.820 33.621 31.823 -0.038 0.000 1.008 758 V HN 0.986 nan 8.190 nan 0.000 0.424 759 G N 6.957 115.418 108.800 -0.565 0.000 2.663 759 G HA2 0.532 4.491 3.960 -0.001 0.000 0.320 759 G HA3 0.532 4.491 3.960 -0.001 0.000 0.320 759 G C -0.536 174.246 174.900 -0.197 0.000 0.937 759 G CA -0.331 44.491 45.100 -0.462 0.000 1.332 759 G HN 0.704 nan 8.290 nan 0.000 0.461 760 L N 2.653 123.717 121.223 -0.266 0.000 2.416 760 L HA 0.397 4.737 4.340 -0.001 0.000 0.262 760 L C -1.999 174.747 176.870 -0.207 0.000 1.093 760 L CA -2.361 52.348 54.840 -0.219 0.000 0.801 760 L CB 1.662 43.522 42.059 -0.332 0.000 1.191 760 L HN 0.199 nan 8.230 nan 0.000 0.459 761 P HA 0.057 nan 4.420 nan 0.000 0.262 761 P C 0.033 177.222 177.300 -0.184 0.000 1.199 761 P CA 0.453 63.463 63.100 -0.150 0.000 0.763 761 P CB 0.837 32.478 31.700 -0.097 0.000 0.790 762 S N -0.118 115.475 115.700 -0.178 0.000 2.929 762 S HA -0.113 4.356 4.470 -0.001 0.000 0.271 762 S C 0.222 174.700 174.600 -0.204 0.000 1.295 762 S CA 1.206 59.310 58.200 -0.159 0.000 1.277 762 S CB -1.618 61.517 63.200 -0.109 0.000 1.557 762 S HN 0.399 nan 8.310 nan 0.000 0.666 763 V N 1.252 120.988 119.914 -0.296 0.000 2.655 763 V HA 0.456 4.575 4.120 -0.001 0.000 0.301 763 V C -0.212 175.651 176.094 -0.385 0.000 1.082 763 V CA -0.826 61.257 62.300 -0.361 0.000 0.899 763 V CB 2.109 33.550 31.823 -0.637 0.000 1.014 763 V HN 0.107 nan 8.190 nan 0.000 0.429 764 V N 4.059 123.761 119.914 -0.354 0.000 2.368 764 V HA 0.323 4.442 4.120 -0.001 0.000 0.266 764 V C -0.163 175.731 176.094 -0.334 0.000 1.045 764 V CA -0.318 61.683 62.300 -0.499 0.000 0.899 764 V CB 0.667 32.098 31.823 -0.655 0.000 1.006 764 V HN 0.936 nan 8.190 nan 0.000 0.470 765 H N 4.415 123.235 119.070 -0.416 0.000 2.476 765 H HA 0.591 5.147 4.556 -0.001 0.000 0.328 765 H C -0.431 174.787 175.328 -0.183 0.000 1.073 765 H CA -0.195 55.709 56.048 -0.239 0.000 1.229 765 H CB 1.211 30.858 29.762 -0.191 0.000 1.432 765 H HN 0.682 nan 8.280 nan 0.000 0.477 766 Q N 3.888 123.401 119.800 -0.479 0.000 2.323 766 Q HA 0.386 4.725 4.340 -0.001 0.000 0.271 766 Q C -1.314 174.488 176.000 -0.330 0.000 1.048 766 Q CA -0.921 54.681 55.803 -0.335 0.000 0.792 766 Q CB 1.655 30.301 28.738 -0.153 0.000 1.280 766 Q HN 0.759 nan 8.270 nan 0.000 0.441 767 T N 4.772 119.212 114.554 -0.189 0.000 2.770 767 T HA 0.540 4.890 4.350 -0.001 0.000 0.283 767 T C -0.380 174.351 174.700 0.051 0.000 0.988 767 T CA -0.319 61.789 62.100 0.014 0.000 0.957 767 T CB 0.307 69.344 68.868 0.282 0.000 0.930 767 T HN 0.447 nan 8.240 nan 0.000 0.443 768 I N 3.560 124.173 120.570 0.071 0.000 2.474 768 I HA 0.509 4.678 4.170 -0.001 0.000 0.294 768 I C -0.348 175.824 176.117 0.091 0.000 1.005 768 I CA -0.821 60.519 61.300 0.066 0.000 1.113 768 I CB 1.861 39.889 38.000 0.048 0.000 1.289 768 I HN 0.389 nan 8.210 nan 0.000 0.436 769 M N 5.653 125.307 119.600 0.089 0.000 2.253 769 M HA 0.468 4.947 4.480 -0.001 0.000 0.314 769 M C 0.284 176.625 176.300 0.069 0.000 1.019 769 M CA -0.231 55.124 55.300 0.092 0.000 0.932 769 M CB 2.184 34.854 32.600 0.118 0.000 1.606 769 M HN 0.457 nan 8.290 nan 0.000 0.430 770 R N 1.092 121.626 120.500 0.058 0.000 2.535 770 R HA 0.367 4.706 4.340 -0.001 0.000 0.323 770 R C 0.810 177.136 176.300 0.044 0.000 0.979 770 R CA 0.319 56.447 56.100 0.046 0.000 1.120 770 R CB 1.109 31.429 30.300 0.033 0.000 1.306 770 R HN 1.117 nan 8.270 nan 0.000 0.540 771 G N -0.446 108.382 108.800 0.046 0.000 2.229 771 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.189 771 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.189 771 G C 0.258 175.177 174.900 0.031 0.000 1.000 771 G CA -0.390 44.734 45.100 0.040 0.000 0.663 771 G HN 0.506 nan 8.290 nan 0.000 0.493 772 G N -0.040 108.779 108.800 0.032 0.000 3.259 772 G HA2 0.784 4.743 3.960 -0.001 0.000 0.178 772 G HA3 0.784 4.743 3.960 -0.001 0.000 0.178 772 G C 0.431 175.348 174.900 0.028 0.000 1.129 772 G CA 0.463 45.577 45.100 0.023 0.000 0.816 772 G HN 1.525 nan 8.290 nan 0.000 0.634 773 A N 1.620 124.455 122.820 0.024 0.000 2.546 773 A HA 0.513 4.832 4.320 -0.001 0.000 0.243 773 A C -1.781 175.837 177.584 0.056 0.000 1.063 773 A CA -0.435 51.621 52.037 0.033 0.000 0.757 773 A CB -0.483 18.533 19.000 0.027 0.000 0.991 773 A HN 0.368 nan 8.150 nan 0.000 0.503 774 P HA 0.123 nan 4.420 nan 0.000 0.270 774 P C -0.435 176.934 177.300 0.115 0.000 1.223 774 P CA -0.115 63.048 63.100 0.105 0.000 0.785 774 P CB 0.626 32.410 31.700 0.140 0.000 0.923 775 E N 1.377 121.643 120.200 0.110 0.000 2.179 775 E HA 0.397 4.746 4.350 -0.001 0.000 0.275 775 E C -0.806 175.870 176.600 0.127 0.000 0.945 775 E CA -0.732 55.737 56.400 0.115 0.000 0.792 775 E CB 0.593 30.337 29.700 0.072 0.000 1.125 775 E HN 0.204 nan 8.360 nan 0.000 0.397 776 I N 4.048 124.728 120.570 0.183 0.000 2.404 776 I HA 0.415 4.584 4.170 -0.001 0.000 0.293 776 I C -0.028 176.212 176.117 0.205 0.000 0.992 776 I CA -0.617 60.773 61.300 0.150 0.000 1.149 776 I CB 1.274 39.372 38.000 0.164 0.000 1.315 776 I HN 0.570 nan 8.210 nan 0.000 0.446 777 R N 4.611 125.162 120.500 0.085 0.000 2.534 777 R HA 0.500 4.839 4.340 -0.001 0.000 0.301 777 R C -0.938 175.418 176.300 0.094 0.000 0.961 777 R CA -0.839 55.323 56.100 0.102 0.000 0.871 777 R CB 1.993 32.310 30.300 0.029 0.000 1.170 777 R HN 0.464 nan 8.270 nan 0.000 0.446 778 N N 2.650 121.463 118.700 0.188 0.000 2.443 778 N HA 0.196 4.936 4.740 -0.001 0.000 0.269 778 N C -1.294 174.231 175.510 0.026 0.000 0.985 778 N CA -0.696 52.440 53.050 0.143 0.000 0.921 778 N CB 1.883 40.559 38.487 0.315 0.000 1.195 778 N HN 0.319 nan 8.380 nan 0.000 0.492 779 L N 3.677 124.857 121.223 -0.071 0.000 2.282 779 L HA 0.364 4.703 4.340 -0.001 0.000 0.287 779 L C -0.979 175.820 176.870 -0.119 0.000 1.075 779 L CA -0.453 54.324 54.840 -0.105 0.000 0.839 779 L CB 0.437 42.424 42.059 -0.120 0.000 1.219 779 L HN 0.217 nan 8.230 nan 0.000 0.434 780 V N 4.520 124.367 119.914 -0.111 0.000 2.350 780 V HA 0.377 4.496 4.120 -0.001 0.000 0.276 780 V C -0.449 175.603 176.094 -0.070 0.000 1.028 780 V CA -0.504 61.746 62.300 -0.083 0.000 0.860 780 V CB 1.263 33.066 31.823 -0.032 0.000 0.990 780 V HN 0.674 nan 8.190 nan 0.000 0.453 781 D N 4.034 124.392 120.400 -0.069 0.000 2.375 781 D HA 0.261 4.900 4.640 -0.001 0.000 0.259 781 D C 0.520 176.794 176.300 -0.043 0.000 1.235 781 D CA -0.415 53.555 54.000 -0.050 0.000 0.924 781 D CB 1.373 42.139 40.800 -0.057 0.000 1.143 781 D HN 0.462 nan 8.370 nan 0.000 0.529 782 I N 2.371 122.933 120.570 -0.014 0.000 3.001 782 I HA 0.070 4.239 4.170 -0.001 0.000 0.268 782 I C 1.369 177.482 176.117 -0.007 0.000 1.267 782 I CA 1.158 62.456 61.300 -0.004 0.000 1.472 782 I CB -0.214 37.803 38.000 0.029 0.000 1.089 782 I HN 0.623 nan 8.210 nan 0.000 0.468 783 G N 0.813 109.607 108.800 -0.010 0.000 2.583 783 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.292 783 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.292 783 G C 0.562 175.465 174.900 0.005 0.000 1.203 783 G CA 0.451 45.546 45.100 -0.008 0.000 0.987 783 G HN 0.690 nan 8.290 nan 0.000 0.554 784 S N -0.043 115.660 115.700 0.006 0.000 2.574 784 S HA 0.543 5.013 4.470 -0.001 0.000 0.242 784 S C 0.777 175.386 174.600 0.015 0.000 0.982 784 S CA 0.066 58.274 58.200 0.014 0.000 0.977 784 S CB 0.067 63.277 63.200 0.016 0.000 0.814 784 S HN 0.703 nan 8.310 nan 0.000 0.464 785 L N 3.123 124.354 121.223 0.013 0.000 2.505 785 L HA 0.254 4.593 4.340 -0.001 0.000 0.279 785 L C -0.344 176.543 176.870 0.028 0.000 1.211 785 L CA -0.294 54.557 54.840 0.018 0.000 1.059 785 L CB -0.557 41.512 42.059 0.016 0.000 1.340 785 L HN 0.153 nan 8.230 nan 0.000 0.447 786 D N 3.040 123.456 120.400 0.027 0.000 2.382 786 D HA -0.006 4.633 4.640 -0.001 0.000 0.240 786 D C 0.726 177.049 176.300 0.037 0.000 1.146 786 D CA 0.163 54.181 54.000 0.031 0.000 0.897 786 D CB 0.371 41.185 40.800 0.024 0.000 1.197 786 D HN 0.334 nan 8.370 nan 0.000 0.432 787 N N 0.322 119.048 118.700 0.044 0.000 2.725 787 N HA -0.171 4.568 4.740 -0.001 0.000 0.251 787 N C -0.905 174.647 175.510 0.071 0.000 1.031 787 N CA 0.853 53.935 53.050 0.053 0.000 0.720 787 N CB -1.203 37.307 38.487 0.039 0.000 0.930 787 N HN 0.300 nan 8.380 nan 0.000 0.543 788 T N 0.481 115.082 114.554 0.078 0.000 2.916 788 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 788 T C -0.298 174.469 174.700 0.112 0.000 1.031 788 T CA -0.715 61.442 62.100 0.096 0.000 0.993 788 T CB 2.290 71.200 68.868 0.070 0.000 1.045 788 T HN 0.028 nan 8.240 nan 0.000 0.454 789 E N 2.505 122.801 120.200 0.161 0.000 2.191 789 E HA 0.405 4.755 4.350 -0.001 0.000 0.263 789 E C -0.695 176.024 176.600 0.198 0.000 0.881 789 E CA -0.905 55.588 56.400 0.155 0.000 0.757 789 E CB 1.815 31.582 29.700 0.111 0.000 1.147 789 E HN 0.324 nan 8.360 nan 0.000 0.414 790 I N 3.046 123.714 120.570 0.164 0.000 2.342 790 I HA 0.228 4.397 4.170 -0.001 0.000 0.291 790 I C 0.083 176.333 176.117 0.222 0.000 1.010 790 I CA -0.583 60.826 61.300 0.182 0.000 1.308 790 I CB 1.181 39.275 38.000 0.156 0.000 1.400 790 I HN 0.294 nan 8.210 nan 0.000 0.488 791 V N 8.313 128.360 119.914 0.222 0.000 2.628 791 V HA 0.511 4.631 4.120 -0.001 0.000 0.306 791 V C -0.315 175.810 176.094 0.052 0.000 1.045 791 V CA -0.803 61.612 62.300 0.192 0.000 0.905 791 V CB 2.239 34.236 31.823 0.290 0.000 0.997 791 V HN 0.772 nan 8.190 nan 0.000 0.436 792 M N 7.276 126.833 119.600 -0.073 0.000 2.129 792 M HA 0.564 5.043 4.480 -0.001 0.000 0.348 792 M C -0.552 175.600 176.300 -0.247 0.000 1.116 792 M CA -0.417 54.611 55.300 -0.453 0.000 1.022 792 M CB 0.600 32.899 32.600 -0.502 0.000 1.599 792 M HN 0.750 nan 8.290 nan 0.000 0.449 793 R N 4.622 124.965 120.500 -0.261 0.000 2.711 793 R HA 0.705 5.044 4.340 -0.001 0.000 0.284 793 R C -1.940 174.268 176.300 -0.154 0.000 0.968 793 R CA -0.633 55.379 56.100 -0.147 0.000 0.924 793 R CB 1.500 31.729 30.300 -0.119 0.000 1.162 793 R HN 0.808 nan 8.270 nan 0.000 0.465 794 L N 3.269 124.383 121.223 -0.183 0.000 2.313 794 L HA 0.418 4.758 4.340 -0.001 0.000 0.283 794 L C -0.539 176.217 176.870 -0.189 0.000 1.013 794 L CA -0.419 54.239 54.840 -0.302 0.000 0.816 794 L CB 1.939 43.768 42.059 -0.384 0.000 1.236 794 L HN 0.609 nan 8.230 nan 0.000 0.419 795 E N 2.221 122.326 120.200 -0.159 0.000 2.158 795 E HA 0.499 4.849 4.350 -0.001 0.000 0.271 795 E C -0.583 175.953 176.600 -0.106 0.000 0.911 795 E CA -0.485 55.873 56.400 -0.070 0.000 0.767 795 E CB 2.113 31.822 29.700 0.015 0.000 1.120 795 E HN 0.609 nan 8.360 nan 0.000 0.405 796 T N -0.858 113.646 114.554 -0.083 0.000 2.831 796 T HA 0.331 4.681 4.350 -0.001 0.000 0.287 796 T C -0.055 174.646 174.700 0.001 0.000 1.070 796 T CA -0.836 61.179 62.100 -0.142 0.000 1.010 796 T CB 1.158 69.965 68.868 -0.102 0.000 1.264 796 T HN 0.425 nan 8.240 nan 0.000 0.532 797 H N 0.153 119.212 119.070 -0.019 0.000 2.472 797 H HA 0.463 5.018 4.556 -0.001 0.000 0.287 797 H C 0.025 175.350 175.328 -0.004 0.000 1.112 797 H CA -0.938 55.104 56.048 -0.009 0.000 1.021 797 H CB -0.706 29.051 29.762 -0.009 0.000 1.635 797 H HN 0.470 nan 8.280 nan 0.000 0.559 798 I N 1.446 122.068 120.570 0.086 0.000 2.618 798 I HA -0.100 4.069 4.170 -0.001 0.000 0.284 798 I C 0.818 176.976 176.117 0.068 0.000 1.146 798 I CA 0.170 61.507 61.300 0.062 0.000 1.425 798 I CB 0.602 38.628 38.000 0.044 0.000 1.383 798 I HN 0.015 nan 8.210 nan 0.000 0.562 799 D N 4.692 125.129 120.400 0.061 0.000 2.713 799 D HA 0.023 4.663 4.640 -0.001 0.000 0.229 799 D C 1.251 177.590 176.300 0.065 0.000 1.136 799 D CA -0.009 54.025 54.000 0.055 0.000 1.010 799 D CB 0.340 41.166 40.800 0.043 0.000 1.084 799 D HN 0.555 nan 8.370 nan 0.000 0.495 800 S N 0.190 115.936 115.700 0.075 0.000 2.496 800 S HA 0.226 4.696 4.470 -0.001 0.000 0.224 800 S C 1.603 176.255 174.600 0.085 0.000 0.996 800 S CA 0.325 58.583 58.200 0.097 0.000 0.927 800 S CB -0.141 63.129 63.200 0.116 0.000 0.774 800 S HN 0.520 nan 8.310 nan 0.000 0.524 801 G N 3.189 112.028 108.800 0.066 0.000 2.574 801 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.301 801 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.301 801 G C 0.154 175.096 174.900 0.069 0.000 1.166 801 G CA 0.607 45.742 45.100 0.057 0.000 0.971 801 G HN 0.780 nan 8.290 nan 0.000 0.542 802 D N 0.135 120.579 120.400 0.074 0.000 2.440 802 D HA 0.355 4.995 4.640 -0.001 0.000 0.216 802 D C 0.658 177.038 176.300 0.133 0.000 1.150 802 D CA -0.252 53.809 54.000 0.102 0.000 0.832 802 D CB 0.265 41.111 40.800 0.078 0.000 0.992 802 D HN 0.448 nan 8.370 nan 0.000 0.502 803 I N 1.548 122.179 120.570 0.103 0.000 2.392 803 I HA 0.489 4.658 4.170 -0.001 0.000 0.295 803 I C -0.214 175.982 176.117 0.132 0.000 0.985 803 I CA -1.071 60.233 61.300 0.007 0.000 1.221 803 I CB 0.566 38.538 38.000 -0.047 0.000 1.366 803 I HN -0.021 nan 8.210 nan 0.000 0.467 804 F N 4.619 124.391 119.950 -0.298 0.000 2.745 804 F HA 0.698 5.225 4.527 -0.001 0.000 0.316 804 F C -2.023 173.427 175.800 -0.584 0.000 1.155 804 F CA -1.417 56.425 58.000 -0.263 0.000 0.937 804 F CB 1.231 40.152 39.000 -0.133 0.000 1.361 804 F HN 0.188 nan 8.300 nan 0.000 0.472 805 Y N 0.028 120.099 120.300 -0.382 0.000 2.425 805 Y HA 0.673 5.222 4.550 -0.001 0.000 0.344 805 Y C 0.011 175.737 175.900 -0.289 0.000 0.969 805 Y CA -0.662 57.081 58.100 -0.595 0.000 1.052 805 Y CB 2.465 40.146 38.460 -1.298 0.000 1.215 805 Y HN 0.897 nan 8.280 nan 0.000 0.451 806 T N -1.351 113.130 114.554 -0.121 0.000 2.906 806 T HA 0.461 4.810 4.350 -0.001 0.000 0.295 806 T C -1.053 173.468 174.700 -0.298 0.000 1.075 806 T CA -1.080 60.967 62.100 -0.088 0.000 1.005 806 T CB 2.005 70.799 68.868 -0.124 0.000 1.136 806 T HN 0.590 nan 8.240 nan 0.000 0.498 807 D N 1.132 121.201 120.400 -0.551 0.000 2.340 807 D HA 0.343 4.983 4.640 -0.001 0.000 0.251 807 D C -0.605 175.431 176.300 -0.440 0.000 1.080 807 D CA -0.788 52.707 54.000 -0.842 0.000 0.971 807 D CB 1.212 41.234 40.800 -1.295 0.000 1.137 807 D HN 0.560 nan 8.370 nan 0.000 0.475 808 L N 1.029 122.035 121.223 -0.361 0.000 2.316 808 L HA 0.216 4.556 4.340 -0.001 0.000 0.280 808 L C -0.121 176.625 176.870 -0.207 0.000 1.006 808 L CA -0.764 53.952 54.840 -0.206 0.000 0.836 808 L CB 0.402 42.403 42.059 -0.097 0.000 1.221 808 L HN 0.464 nan 8.230 nan 0.000 0.418 809 N N 2.038 120.623 118.700 -0.192 0.000 2.714 809 N HA -0.225 4.514 4.740 -0.001 0.000 0.250 809 N C 0.984 176.283 175.510 -0.351 0.000 1.117 809 N CA 0.908 53.843 53.050 -0.191 0.000 0.719 809 N CB -1.106 37.343 38.487 -0.064 0.000 1.081 809 N HN 1.069 nan 8.380 nan 0.000 0.557 810 G N -1.532 107.065 108.800 -0.337 0.000 2.166 810 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.260 810 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.260 810 G C 0.636 175.503 174.900 -0.055 0.000 0.986 810 G CA 0.719 45.649 45.100 -0.283 0.000 0.683 810 G HN 0.494 nan 8.290 nan 0.000 0.527 811 L N -0.398 120.731 121.223 -0.158 0.000 2.467 811 L HA 0.496 4.836 4.340 -0.001 0.000 0.213 811 L C 1.006 177.755 176.870 -0.202 0.000 1.053 811 L CA 1.953 56.614 54.840 -0.299 0.000 0.847 811 L CB 0.142 41.860 42.059 -0.569 0.000 1.075 811 L HN 0.698 nan 8.230 nan 0.000 0.479 812 Q N -1.829 117.859 119.800 -0.187 0.000 2.482 812 Q HA 0.358 4.698 4.340 -0.001 0.000 0.286 812 Q C -1.675 174.213 176.000 -0.187 0.000 1.007 812 Q CA -0.747 55.011 55.803 -0.074 0.000 0.801 812 Q CB 1.128 29.879 28.738 0.021 0.000 1.455 812 Q HN -0.043 nan 8.270 nan 0.000 0.398 813 F N 1.257 121.163 119.950 -0.073 0.000 2.436 813 F HA 0.600 5.126 4.527 -0.001 0.000 0.340 813 F C -0.190 175.573 175.800 -0.063 0.000 1.113 813 F CA -0.836 57.132 58.000 -0.054 0.000 1.022 813 F CB 1.679 40.689 39.000 0.017 0.000 1.128 813 F HN 0.530 nan 8.300 nan 0.000 0.466 814 I N 3.867 124.443 120.570 0.010 0.000 2.474 814 I HA 0.332 4.502 4.170 -0.001 0.000 0.294 814 I C -0.479 175.507 176.117 -0.219 0.000 1.005 814 I CA -0.864 60.393 61.300 -0.072 0.000 1.113 814 I CB 1.278 39.188 38.000 -0.150 0.000 1.289 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.793 127.023 120.400 -0.283 0.000 2.368 815 K HA 0.254 4.574 4.320 -0.001 0.000 0.282 815 K C -0.865 175.295 176.600 -0.733 0.000 1.035 815 K CA -0.350 55.499 56.287 -0.730 0.000 0.973 815 K CB 0.521 32.717 32.500 -0.507 0.000 0.957 815 K HN 0.512 nan 8.250 nan 0.000 0.474 816 R N 3.297 123.182 120.500 -1.025 0.000 2.664 816 R HA 0.337 4.677 4.340 -0.001 0.000 0.286 816 R C -0.493 175.318 176.300 -0.814 0.000 0.967 816 R CA -0.781 54.654 56.100 -1.108 0.000 0.933 816 R CB 1.519 30.626 30.300 -1.989 0.000 1.146 816 R HN 0.667 nan 8.270 nan 0.000 0.468 817 R N 1.574 121.808 120.500 -0.443 0.000 2.439 817 R HA 0.291 4.630 4.340 -0.001 0.000 0.310 817 R C -0.429 175.911 176.300 0.067 0.000 0.955 817 R CA -0.660 55.352 56.100 -0.147 0.000 0.853 817 R CB 1.446 31.702 30.300 -0.073 0.000 1.171 817 R HN 0.520 nan 8.270 nan 0.000 0.449 818 R N 4.837 125.480 120.500 0.240 0.000 2.522 818 R HA 0.104 4.444 4.340 -0.001 0.000 0.284 818 R C -0.947 175.440 176.300 0.145 0.000 1.032 818 R CA 0.259 56.532 56.100 0.289 0.000 1.049 818 R CB 0.388 30.846 30.300 0.262 0.000 0.956 818 R HN 0.545 nan 8.270 nan 0.000 0.422 819 L N 5.028 126.317 121.223 0.109 0.000 2.342 819 L HA 0.216 4.555 4.340 -0.001 0.000 0.276 819 L C 0.193 177.060 176.870 -0.004 0.000 0.997 819 L CA -0.684 54.178 54.840 0.036 0.000 0.838 819 L CB 1.942 43.996 42.059 -0.007 0.000 1.224 819 L HN 0.643 nan 8.230 nan 0.000 0.416 820 D N 1.601 122.005 120.400 0.006 0.000 2.348 820 D HA -0.125 4.515 4.640 -0.001 0.000 0.216 820 D C 1.751 178.037 176.300 -0.024 0.000 0.970 820 D CA 0.850 54.848 54.000 -0.003 0.000 0.889 820 D CB 0.346 41.153 40.800 0.011 0.000 0.912 820 D HN 0.556 nan 8.370 nan 0.000 0.524 821 K N 0.260 120.638 120.400 -0.036 0.000 2.439 821 K HA -0.005 4.315 4.320 -0.001 0.000 0.197 821 K C 0.677 177.220 176.600 -0.095 0.000 1.041 821 K CA 0.382 56.643 56.287 -0.042 0.000 0.970 821 K CB 0.253 32.743 32.500 -0.017 0.000 0.773 821 K HN 0.114 nan 8.250 nan 0.000 0.479 822 L N 2.336 123.464 121.223 -0.158 0.000 2.334 822 L HA 0.451 4.791 4.340 -0.001 0.000 0.272 822 L C -2.227 174.541 176.870 -0.170 0.000 1.020 822 L CA -2.914 51.791 54.840 -0.225 0.000 0.812 822 L CB 1.307 43.134 42.059 -0.386 0.000 1.264 822 L HN -0.046 nan 8.230 nan 0.000 0.439 823 P HA 0.039 nan 4.420 nan 0.000 0.272 823 P C 0.867 178.045 177.300 -0.202 0.000 1.240 823 P CA -0.418 62.589 63.100 -0.154 0.000 0.791 823 P CB 1.215 32.849 31.700 -0.110 0.000 0.978 824 L N 0.859 121.993 121.223 -0.148 0.000 2.010 824 L HA -0.293 4.046 4.340 -0.001 0.000 0.219 824 L C 2.511 179.296 176.870 -0.141 0.000 1.077 824 L CA 2.037 56.812 54.840 -0.108 0.000 0.773 824 L CB -0.659 41.337 42.059 -0.105 0.000 0.892 824 L HN 0.443 nan 8.230 nan 0.000 0.436 825 Q N -0.328 119.280 119.800 -0.320 0.000 2.291 825 Q HA -0.175 4.165 4.340 -0.001 0.000 0.206 825 Q C 1.895 177.793 176.000 -0.170 0.000 0.976 825 Q CA 1.509 57.154 55.803 -0.263 0.000 0.875 825 Q CB -0.538 27.970 28.738 -0.382 0.000 0.927 825 Q HN 0.619 nan 8.270 nan 0.000 0.450 826 A N 1.600 124.104 122.820 -0.528 0.000 2.066 826 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 826 A C 1.670 179.075 177.584 -0.299 0.000 1.157 826 A CA 0.911 52.487 52.037 -0.768 0.000 0.670 826 A CB -0.232 17.988 19.000 -1.300 0.000 0.804 826 A HN 0.363 nan 8.150 nan 0.000 0.453 827 N N -1.233 117.405 118.700 -0.103 0.000 2.398 827 N HA 0.051 4.790 4.740 -0.001 0.000 0.188 827 N C -0.828 174.775 175.510 0.155 0.000 1.122 827 N CA 0.200 53.303 53.050 0.088 0.000 0.866 827 N CB 0.046 38.634 38.487 0.169 0.000 0.970 827 N HN 0.460 nan 8.380 nan 0.000 0.462 828 Y N 0.272 120.529 120.300 -0.071 0.000 2.304 828 Y HA 0.199 4.748 4.550 -0.001 0.000 0.328 828 Y C -0.173 175.669 175.900 -0.097 0.000 1.123 828 Y CA -0.106 58.032 58.100 0.064 0.000 1.218 828 Y CB 0.387 38.959 38.460 0.186 0.000 1.207 828 Y HN -0.067 nan 8.280 nan 0.000 0.495 829 Y N 3.201 123.636 120.300 0.225 0.000 2.605 829 Y HA 0.452 5.001 4.550 -0.001 0.000 0.343 829 Y C -2.291 173.307 175.900 -0.504 0.000 1.036 829 Y CA -2.936 55.151 58.100 -0.021 0.000 1.065 829 Y CB 1.463 39.904 38.460 -0.031 0.000 1.288 829 Y HN 0.438 nan 8.280 nan 0.000 0.481 830 P HA 0.116 nan 4.420 nan 0.000 0.268 830 P C -0.625 176.435 177.300 -0.400 0.000 1.205 830 P CA 0.259 62.775 63.100 -0.972 0.000 0.771 830 P CB 0.558 31.566 31.700 -1.153 0.000 0.858 831 I N 4.831 125.248 120.570 -0.256 0.000 2.620 831 I HA 0.167 4.337 4.170 -0.001 0.000 0.280 831 I C -1.677 174.369 176.117 -0.120 0.000 1.143 831 I CA -2.456 58.764 61.300 -0.133 0.000 1.163 831 I CB 0.711 38.689 38.000 -0.036 0.000 1.461 831 I HN 0.205 nan 8.210 nan 0.000 0.530 832 P HA -0.057 nan 4.420 nan 0.000 0.221 832 P C 1.032 178.299 177.300 -0.055 0.000 1.150 832 P CA 1.184 64.211 63.100 -0.122 0.000 0.800 832 P CB 0.595 32.194 31.700 -0.167 0.000 0.787 833 S N -3.488 112.183 115.700 -0.048 0.000 2.483 833 S HA 0.465 4.935 4.470 -0.001 0.000 0.280 833 S C 0.564 175.247 174.600 0.138 0.000 1.059 833 S CA 0.330 58.558 58.200 0.046 0.000 1.359 833 S CB 0.327 63.577 63.200 0.083 0.000 1.171 833 S HN 0.336 nan 8.310 nan 0.000 0.625 834 G N 1.508 110.391 108.800 0.139 0.000 2.368 834 G HA2 0.551 4.510 3.960 -0.001 0.000 0.293 834 G HA3 0.551 4.510 3.960 -0.001 0.000 0.293 834 G C -1.520 173.619 174.900 0.398 0.000 1.467 834 G CA -0.402 44.901 45.100 0.339 0.000 0.804 834 G HN 0.920 nan 8.290 nan 0.000 0.535 835 M N -0.699 119.160 119.600 0.432 0.000 2.534 835 M HA 0.882 5.362 4.480 -0.001 0.000 0.280 835 M C -1.780 174.752 176.300 0.386 0.000 1.217 835 M CA -1.023 54.492 55.300 0.360 0.000 0.893 835 M CB 2.530 35.251 32.600 0.202 0.000 1.730 835 M HN 1.223 nan 8.290 nan 0.000 0.483 836 F N 1.019 121.114 119.950 0.242 0.000 2.668 836 F HA 0.903 5.429 4.527 -0.001 0.000 0.309 836 F C -1.745 174.188 175.800 0.221 0.000 1.117 836 F CA -1.178 56.904 58.000 0.137 0.000 0.951 836 F CB 1.141 40.134 39.000 -0.012 0.000 1.323 836 F HN 0.783 nan 8.300 nan 0.000 0.451 837 I N -0.044 120.756 120.570 0.384 0.000 2.785 837 I HA 0.890 5.059 4.170 -0.001 0.000 0.302 837 I C -1.370 174.932 176.117 0.309 0.000 1.069 837 I CA -0.876 60.615 61.300 0.318 0.000 1.045 837 I CB 2.393 40.497 38.000 0.174 0.000 1.236 837 I HN 0.949 nan 8.210 nan 0.000 0.429 838 E N 2.088 122.453 120.200 0.275 0.000 2.412 838 E HA 0.530 4.879 4.350 -0.001 0.000 0.279 838 E C -2.037 174.646 176.600 0.137 0.000 0.984 838 E CA -0.844 55.661 56.400 0.176 0.000 0.788 838 E CB 2.197 31.992 29.700 0.158 0.000 1.277 838 E HN 0.741 nan 8.360 nan 0.000 0.455 839 D N 0.699 121.149 120.400 0.084 0.000 2.723 839 D HA 0.459 5.099 4.640 -0.001 0.000 0.247 839 D C 0.952 177.280 176.300 0.047 0.000 1.134 839 D CA -0.173 53.868 54.000 0.069 0.000 1.099 839 D CB -0.040 40.793 40.800 0.055 0.000 1.287 839 D HN 0.448 nan 8.370 nan 0.000 0.634 840 A N -0.714 122.127 122.820 0.035 0.000 1.978 840 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 840 A C 1.566 179.153 177.584 0.005 0.000 1.170 840 A CA 1.603 53.652 52.037 0.021 0.000 0.636 840 A CB -0.734 18.277 19.000 0.018 0.000 0.810 840 A HN 0.510 nan 8.150 nan 0.000 0.448 841 N N -1.773 116.929 118.700 0.004 0.000 2.397 841 N HA 0.076 4.815 4.740 -0.001 0.000 0.190 841 N C -0.406 175.092 175.510 -0.020 0.000 1.099 841 N CA 0.786 53.831 53.050 -0.009 0.000 0.876 841 N CB 0.613 39.097 38.487 -0.006 0.000 1.143 841 N HN 0.308 nan 8.380 nan 0.000 0.468 842 T N 0.500 115.047 114.554 -0.012 0.000 2.893 842 T HA 0.456 4.805 4.350 -0.001 0.000 0.293 842 T C -0.649 174.042 174.700 -0.016 0.000 1.027 842 T CA -0.657 61.430 62.100 -0.022 0.000 0.988 842 T CB 2.870 71.730 68.868 -0.013 0.000 1.043 842 T HN -0.040 nan 8.240 nan 0.000 0.461 843 R N 1.938 122.412 120.500 -0.043 0.000 2.686 843 R HA 0.735 5.075 4.340 -0.001 0.000 0.283 843 R C -1.967 174.309 176.300 -0.040 0.000 0.978 843 R CA -0.900 55.177 56.100 -0.038 0.000 0.897 843 R CB 1.322 31.535 30.300 -0.144 0.000 1.192 843 R HN 0.454 nan 8.270 nan 0.000 0.457 844 L N 2.620 123.849 121.223 0.010 0.000 2.349 844 L HA 0.501 4.840 4.340 -0.001 0.000 0.278 844 L C -1.303 175.605 176.870 0.064 0.000 0.996 844 L CA 0.089 54.929 54.840 -0.001 0.000 0.825 844 L CB 2.235 44.281 42.059 -0.022 0.000 1.243 844 L HN 0.645 nan 8.230 nan 0.000 0.412 845 T N 5.678 120.250 114.554 0.030 0.000 2.807 845 T HA 0.561 4.910 4.350 -0.001 0.000 0.279 845 T C -1.053 173.708 174.700 0.101 0.000 0.993 845 T CA -0.280 61.877 62.100 0.095 0.000 0.970 845 T CB 1.397 70.251 68.868 -0.023 0.000 0.950 845 T HN 0.440 nan 8.240 nan 0.000 0.441 846 L N 5.151 126.469 121.223 0.159 0.000 2.298 846 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 846 L C -1.260 175.751 176.870 0.236 0.000 1.013 846 L CA -0.719 54.225 54.840 0.174 0.000 0.824 846 L CB 0.561 42.703 42.059 0.139 0.000 1.221 846 L HN 0.415 nan 8.230 nan 0.000 0.418 847 L N 4.175 125.538 121.223 0.234 0.000 2.325 847 L HA 0.620 4.960 4.340 -0.001 0.000 0.279 847 L C 0.289 177.302 176.870 0.239 0.000 1.054 847 L CA -0.200 54.776 54.840 0.226 0.000 0.804 847 L CB 1.368 43.527 42.059 0.166 0.000 1.200 847 L HN 0.596 nan 8.230 nan 0.000 0.436 848 T N 0.611 115.259 114.554 0.157 0.000 2.885 848 T HA 0.489 4.839 4.350 -0.001 0.000 0.285 848 T C 0.849 175.508 174.700 -0.068 0.000 1.019 848 T CA -0.342 61.771 62.100 0.022 0.000 1.010 848 T CB 1.943 70.843 68.868 0.054 0.000 1.022 848 T HN 0.782 nan 8.240 nan 0.000 0.466 849 G N 1.454 110.138 108.800 -0.193 0.000 3.284 849 G HA2 0.344 4.304 3.960 -0.001 0.000 0.236 849 G HA3 0.344 4.304 3.960 -0.001 0.000 0.236 849 G C 0.105 174.934 174.900 -0.118 0.000 1.158 849 G CA -0.268 44.748 45.100 -0.139 0.000 0.774 849 G HN 0.594 nan 8.290 nan 0.000 0.545 850 Q N -0.259 119.468 119.800 -0.121 0.000 2.479 850 Q HA 0.285 4.624 4.340 -0.001 0.000 0.276 850 Q C -3.552 172.408 176.000 -0.068 0.000 0.989 850 Q CA -2.261 53.496 55.803 -0.077 0.000 0.864 850 Q CB 1.814 30.519 28.738 -0.055 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.465 nan 4.420 nan 0.000 0.281 851 P C -0.686 176.600 177.300 -0.024 0.000 1.252 851 P CA -0.146 62.934 63.100 -0.033 0.000 0.778 851 P CB 0.973 32.661 31.700 -0.021 0.000 0.895 852 L N 1.668 122.872 121.223 -0.032 0.000 2.491 852 L HA 0.669 5.008 4.340 -0.001 0.000 0.254 852 L C 0.760 177.646 176.870 0.026 0.000 1.048 852 L CA -1.151 53.694 54.840 0.008 0.000 0.855 852 L CB 2.068 44.119 42.059 -0.013 0.000 1.466 852 L HN 0.334 nan 8.230 nan 0.000 0.409 853 G N -0.924 107.949 108.800 0.121 0.000 2.448 853 G HA2 0.667 4.626 3.960 -0.001 0.000 0.285 853 G HA3 0.667 4.626 3.960 -0.001 0.000 0.285 853 G C -0.461 174.461 174.900 0.037 0.000 1.176 853 G CA 0.146 45.371 45.100 0.209 0.000 0.852 853 G HN 0.876 nan 8.290 nan 0.000 0.530 854 G N -1.423 107.207 108.800 -0.283 0.000 2.550 854 G HA2 0.670 4.630 3.960 -0.001 0.000 0.293 854 G HA3 0.670 4.630 3.960 -0.001 0.000 0.293 854 G C -1.196 173.241 174.900 -0.771 0.000 1.402 854 G CA 0.414 45.150 45.100 -0.606 0.000 0.784 854 G HN 1.248 nan 8.290 nan 0.000 0.482 855 S N -1.881 113.431 115.700 -0.647 0.000 2.661 855 S HA 0.731 5.200 4.470 -0.001 0.000 0.268 855 S C -1.524 172.616 174.600 -0.766 0.000 1.162 855 S CA 0.296 58.115 58.200 -0.634 0.000 0.817 855 S CB 1.366 64.267 63.200 -0.499 0.000 1.141 855 S HN 1.520 nan 8.310 nan 0.000 0.477 856 S N 1.674 116.634 115.700 -1.234 0.000 2.653 856 S HA 0.480 4.949 4.470 -0.001 0.000 0.272 856 S C 0.163 174.514 174.600 -0.414 0.000 1.221 856 S CA -0.635 57.114 58.200 -0.752 0.000 1.149 856 S CB -0.052 62.656 63.200 -0.821 0.000 1.029 856 S HN 0.578 nan 8.310 nan 0.000 0.481 857 L N 3.139 124.258 121.223 -0.174 0.000 2.591 857 L HA 0.488 4.827 4.340 -0.001 0.000 0.228 857 L C 0.851 177.714 176.870 -0.011 0.000 1.133 857 L CA 0.243 55.061 54.840 -0.037 0.000 0.880 857 L CB -0.024 42.071 42.059 0.059 0.000 1.033 857 L HN 0.696 nan 8.230 nan 0.000 0.450 858 A N -1.242 121.559 122.820 -0.032 0.000 2.604 858 A HA 0.447 4.766 4.320 -0.001 0.000 0.295 858 A C -0.453 177.129 177.584 -0.003 0.000 1.067 858 A CA -0.447 51.589 52.037 -0.002 0.000 0.683 858 A CB 1.180 20.185 19.000 0.008 0.000 1.281 858 A HN -0.145 nan 8.150 nan 0.000 0.407 859 S N -0.115 115.597 115.700 0.019 0.000 2.558 859 S HA 0.395 4.865 4.470 -0.001 0.000 0.293 859 S C 1.547 176.167 174.600 0.033 0.000 1.292 859 S CA 1.950 60.169 58.200 0.032 0.000 1.063 859 S CB -0.044 63.178 63.200 0.036 0.000 0.831 859 S HN 2.657 nan 8.310 nan 0.000 0.499 860 G N 3.405 112.227 108.800 0.037 0.000 2.179 860 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G C -0.158 174.741 174.900 -0.002 0.000 0.977 860 G CA 0.488 45.609 45.100 0.036 0.000 0.641 860 G HN 0.718 nan 8.290 nan 0.000 0.533 861 E N -0.397 119.787 120.200 -0.027 0.000 2.202 861 E HA 0.746 5.096 4.350 -0.001 0.000 0.272 861 E C -0.149 176.388 176.600 -0.105 0.000 0.951 861 E CA -0.695 55.666 56.400 -0.065 0.000 0.813 861 E CB 1.725 31.387 29.700 -0.062 0.000 1.151 861 E HN 0.254 nan 8.360 nan 0.000 0.398 862 L N 1.927 123.081 121.223 -0.115 0.000 2.381 862 L HA 0.478 4.817 4.340 -0.001 0.000 0.268 862 L C -0.491 176.305 176.870 -0.123 0.000 0.997 862 L CA -0.633 54.128 54.840 -0.131 0.000 0.818 862 L CB 1.925 43.936 42.059 -0.080 0.000 1.310 862 L HN 0.660 nan 8.230 nan 0.000 0.416 863 E N 3.002 123.121 120.200 -0.135 0.000 2.390 863 E HA 0.729 5.078 4.350 -0.001 0.000 0.277 863 E C -1.608 174.942 176.600 -0.082 0.000 0.939 863 E CA -0.836 55.517 56.400 -0.078 0.000 0.769 863 E CB 2.933 32.633 29.700 0.001 0.000 1.251 863 E HN 0.475 nan 8.360 nan 0.000 0.450 864 I N 2.093 122.652 120.570 -0.017 0.000 2.571 864 I HA 0.233 4.403 4.170 -0.001 0.000 0.289 864 I C -0.806 175.373 176.117 0.103 0.000 1.115 864 I CA -1.110 60.202 61.300 0.021 0.000 1.045 864 I CB 2.084 40.103 38.000 0.032 0.000 1.238 864 I HN 0.627 nan 8.210 nan 0.000 0.424 865 M N 5.035 124.732 119.600 0.163 0.000 2.228 865 M HA 0.138 4.618 4.480 -0.001 0.000 0.351 865 M C 0.894 177.290 176.300 0.159 0.000 1.233 865 M CA 0.647 56.050 55.300 0.171 0.000 1.129 865 M CB 0.623 33.296 32.600 0.122 0.000 1.604 865 M HN 0.463 nan 8.290 nan 0.000 0.457 866 Q N 1.446 121.373 119.800 0.212 0.000 2.287 866 Q HA 0.255 4.594 4.340 -0.001 0.000 0.201 866 Q C -0.241 175.960 176.000 0.336 0.000 0.946 866 Q CA 0.824 56.818 55.803 0.318 0.000 0.868 866 Q CB 0.381 29.336 28.738 0.361 0.000 0.967 866 Q HN 0.764 nan 8.270 nan 0.000 0.516 867 D N -0.909 119.621 120.400 0.217 0.000 2.671 867 D HA 0.299 4.938 4.640 -0.001 0.000 0.273 867 D C -1.426 174.942 176.300 0.114 0.000 1.264 867 D CA -0.490 53.615 54.000 0.175 0.000 0.788 867 D CB 1.471 42.365 40.800 0.157 0.000 1.324 867 D HN 0.036 nan 8.370 nan 0.000 0.424 868 R N 0.764 121.320 120.500 0.095 0.000 2.584 868 R HA 0.671 5.011 4.340 -0.001 0.000 0.276 868 R C -1.102 175.242 176.300 0.073 0.000 1.046 868 R CA -1.041 55.099 56.100 0.067 0.000 0.906 868 R CB 2.068 32.380 30.300 0.021 0.000 1.215 868 R HN 0.322 nan 8.270 nan 0.000 0.449 869 R N 3.779 124.320 120.500 0.068 0.000 2.451 869 R HA 0.477 4.817 4.340 -0.001 0.000 0.307 869 R C -1.478 174.856 176.300 0.057 0.000 0.965 869 R CA -0.580 55.557 56.100 0.062 0.000 0.865 869 R CB 1.305 31.637 30.300 0.054 0.000 1.174 869 R HN 0.714 nan 8.270 nan 0.000 0.455 870 L N 3.967 125.222 121.223 0.054 0.000 2.376 870 L HA 0.513 4.853 4.340 -0.001 0.000 0.275 870 L C 0.737 177.632 176.870 0.042 0.000 0.987 870 L CA -0.557 54.313 54.840 0.050 0.000 0.828 870 L CB 2.146 44.236 42.059 0.053 0.000 1.249 870 L HN 0.810 nan 8.230 nan 0.000 0.409 871 A N 1.635 124.476 122.820 0.034 0.000 2.067 871 A HA 0.139 4.459 4.320 -0.001 0.000 0.217 871 A C 0.935 178.534 177.584 0.024 0.000 1.156 871 A CA 0.687 52.740 52.037 0.027 0.000 0.683 871 A CB 0.013 19.025 19.000 0.020 0.000 0.808 871 A HN 0.607 nan 8.150 nan 0.000 0.455 872 S N -0.099 115.617 115.700 0.025 0.000 2.593 872 S HA 0.412 4.881 4.470 -0.001 0.000 0.297 872 S C -0.673 173.945 174.600 0.030 0.000 1.112 872 S CA -0.672 57.540 58.200 0.021 0.000 1.043 872 S CB 1.490 64.698 63.200 0.012 0.000 1.054 872 S HN 0.473 nan 8.310 nan 0.000 0.516 873 D N 0.608 121.025 120.400 0.029 0.000 2.372 873 D HA 0.178 4.818 4.640 -0.001 0.000 0.243 873 D C -0.071 176.245 176.300 0.025 0.000 1.121 873 D CA -0.278 53.746 54.000 0.040 0.000 0.898 873 D CB 0.645 41.467 40.800 0.037 0.000 1.202 873 D HN 0.506 nan 8.370 nan 0.000 0.428 874 D N 2.060 122.479 120.400 0.032 0.000 2.525 874 D HA 0.066 4.705 4.640 -0.001 0.000 0.229 874 D C -0.363 175.889 176.300 -0.080 0.000 1.202 874 D CA -0.288 53.697 54.000 -0.025 0.000 0.828 874 D CB -0.453 40.324 40.800 -0.038 0.000 1.008 874 D HN 0.697 nan 8.370 nan 0.000 0.493 875 E N -0.451 119.725 120.200 -0.039 0.000 2.868 875 E HA -0.214 4.135 4.350 -0.001 0.000 0.278 875 E C 0.353 176.897 176.600 -0.093 0.000 1.009 875 E CA 0.226 56.598 56.400 -0.047 0.000 0.856 875 E CB -0.842 28.830 29.700 -0.047 0.000 1.428 875 E HN 0.185 nan 8.360 nan 0.000 0.423 876 R N -0.593 119.813 120.500 -0.157 0.000 2.472 876 R HA 0.234 4.573 4.340 -0.001 0.000 0.279 876 R C 1.405 177.718 176.300 0.021 0.000 0.953 876 R CA 0.745 56.659 56.100 -0.310 0.000 1.088 876 R CB 1.125 30.751 30.300 -1.123 0.000 1.197 876 R HN 0.407 nan 8.270 nan 0.000 0.536 877 G N 0.641 109.559 108.800 0.197 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 0.719 175.748 174.900 0.215 0.000 0.996 877 G CA 0.175 45.495 45.100 0.366 0.000 0.645 877 G HN 0.263 nan 8.290 nan 0.000 0.498 878 L N 1.589 123.021 121.223 0.348 0.000 2.093 878 L HA 0.462 4.801 4.340 -0.001 0.000 0.208 878 L C 2.175 179.043 176.870 -0.003 0.000 1.085 878 L CA 2.753 57.692 54.840 0.164 0.000 0.755 878 L CB -0.628 41.666 42.059 0.392 0.000 0.904 878 L HN 1.693 nan 8.230 nan 0.000 0.435 879 G N -0.320 108.506 108.800 0.043 0.000 2.176 879 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 879 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 879 G C 0.043 174.949 174.900 0.011 0.000 1.024 879 G CA 0.649 45.753 45.100 0.007 0.000 0.755 879 G HN 0.792 nan 8.290 nan 0.000 0.507 880 Q N -1.971 117.851 119.800 0.038 0.000 2.575 880 Q HA 0.685 5.024 4.340 -0.001 0.000 0.290 880 Q C 0.456 176.487 176.000 0.052 0.000 0.963 880 Q CA -0.667 55.158 55.803 0.036 0.000 0.783 880 Q CB 0.491 29.248 28.738 0.032 0.000 1.467 880 Q HN 0.934 nan 8.270 nan 0.000 0.402 881 G N 0.042 108.868 108.800 0.044 0.000 2.489 881 G HA2 0.455 4.415 3.960 -0.001 0.000 0.271 881 G HA3 0.455 4.415 3.960 -0.001 0.000 0.271 881 G C -0.846 174.086 174.900 0.054 0.000 1.427 881 G CA -0.597 44.531 45.100 0.048 0.000 1.057 881 G HN 0.393 nan 8.290 nan 0.000 0.532 882 V N 0.797 120.744 119.914 0.055 0.000 2.284 882 V HA 0.331 4.450 4.120 -0.001 0.000 0.274 882 V C 0.149 176.280 176.094 0.061 0.000 1.023 882 V CA -0.138 62.201 62.300 0.065 0.000 0.808 882 V CB 0.851 32.716 31.823 0.071 0.000 1.035 882 V HN 0.544 nan 8.190 nan 0.000 0.445 883 L N 3.316 124.574 121.223 0.057 0.000 3.229 883 L HA 0.328 4.668 4.340 -0.001 0.000 0.286 883 L C 0.539 177.438 176.870 0.049 0.000 1.239 883 L CA 0.039 54.908 54.840 0.048 0.000 1.035 883 L CB 0.717 42.798 42.059 0.038 0.000 1.408 883 L HN 0.670 nan 8.230 nan 0.000 0.593 884 D N -2.289 118.149 120.400 0.063 0.000 2.559 884 D HA 0.067 4.707 4.640 -0.001 0.000 0.234 884 D C 0.129 176.473 176.300 0.072 0.000 1.226 884 D CA -0.462 53.577 54.000 0.064 0.000 0.830 884 D CB -0.367 40.479 40.800 0.075 0.000 1.028 884 D HN 0.060 nan 8.370 nan 0.000 0.492 885 N N 1.676 120.416 118.700 0.068 0.000 2.395 885 N HA 0.118 4.858 4.740 -0.001 0.000 0.246 885 N C 0.185 175.709 175.510 0.024 0.000 1.246 885 N CA 0.330 53.421 53.050 0.068 0.000 0.879 885 N CB 0.675 39.198 38.487 0.061 0.000 1.098 885 N HN 0.315 nan 8.380 nan 0.000 0.444 886 K N -0.459 119.943 120.400 0.004 0.000 2.512 886 K HA 0.555 4.875 4.320 -0.001 0.000 0.263 886 K C -3.246 173.329 176.600 -0.042 0.000 0.966 886 K CA -2.014 54.231 56.287 -0.071 0.000 0.851 886 K CB 1.330 33.706 32.500 -0.208 0.000 1.395 886 K HN 0.129 nan 8.250 nan 0.000 0.440 887 P HA -0.012 nan 4.420 nan 0.000 0.265 887 P C -1.013 176.306 177.300 0.032 0.000 1.193 887 P CA -0.442 62.639 63.100 -0.032 0.000 0.765 887 P CB 0.765 32.434 31.700 -0.051 0.000 0.823 888 V N 5.069 124.969 119.914 -0.023 0.000 2.841 888 V HA 0.464 4.583 4.120 -0.001 0.000 0.310 888 V C -1.309 174.657 176.094 -0.213 0.000 1.090 888 V CA -1.102 61.161 62.300 -0.061 0.000 0.930 888 V CB 2.110 33.874 31.823 -0.098 0.000 1.014 888 V HN 0.282 nan 8.190 nan 0.000 0.425 889 L N 7.069 128.195 121.223 -0.161 0.000 2.270 889 L HA 0.587 4.926 4.340 -0.001 0.000 0.286 889 L C -0.323 176.524 176.870 -0.039 0.000 1.059 889 L CA 0.134 54.910 54.840 -0.106 0.000 0.839 889 L CB 0.271 42.291 42.059 -0.065 0.000 1.221 889 L HN 0.697 nan 8.230 nan 0.000 0.431 890 H N 5.626 124.708 119.070 0.019 0.000 2.582 890 H HA 0.465 5.021 4.556 -0.001 0.000 0.345 890 H C -0.062 175.156 175.328 -0.182 0.000 1.104 890 H CA -0.178 55.822 56.048 -0.080 0.000 1.390 890 H CB 1.189 30.967 29.762 0.027 0.000 1.461 890 H HN 0.690 nan 8.280 nan 0.000 0.551 891 I N 0.208 120.602 120.570 -0.294 0.000 2.689 891 I HA 0.613 4.782 4.170 -0.001 0.000 0.299 891 I C -1.417 174.351 176.117 -0.582 0.000 1.059 891 I CA -0.942 60.204 61.300 -0.258 0.000 1.055 891 I CB 2.118 40.059 38.000 -0.098 0.000 1.243 891 I HN 0.246 nan 8.210 nan 0.000 0.425 892 Y N 2.536 122.880 120.300 0.072 0.000 2.638 892 Y HA 0.689 5.239 4.550 -0.001 0.000 0.335 892 Y C -0.626 175.321 175.900 0.079 0.000 1.155 892 Y CA -1.087 57.063 58.100 0.083 0.000 1.046 892 Y CB 1.611 40.140 38.460 0.116 0.000 1.303 892 Y HN 0.425 nan 8.280 nan 0.000 0.460 893 R N 1.359 122.016 120.500 0.262 0.000 2.750 893 R HA 0.632 4.971 4.340 -0.001 0.000 0.281 893 R C -1.937 174.472 176.300 0.181 0.000 0.972 893 R CA -1.161 55.047 56.100 0.180 0.000 0.912 893 R CB 2.639 33.003 30.300 0.107 0.000 1.187 893 R HN 0.642 nan 8.270 nan 0.000 0.464 894 L N 2.175 123.484 121.223 0.143 0.000 2.342 894 L HA 0.432 4.771 4.340 -0.001 0.000 0.276 894 L C -1.257 175.641 176.870 0.046 0.000 0.997 894 L CA -0.575 54.326 54.840 0.103 0.000 0.838 894 L CB 1.867 43.998 42.059 0.121 0.000 1.224 894 L HN 0.316 nan 8.230 nan 0.000 0.416 895 V N 6.149 126.074 119.914 0.018 0.000 2.326 895 V HA 0.407 4.527 4.120 -0.001 0.000 0.281 895 V C -0.322 175.746 176.094 -0.044 0.000 1.015 895 V CA -0.584 61.706 62.300 -0.016 0.000 0.823 895 V CB 1.374 33.180 31.823 -0.029 0.000 1.009 895 V HN 0.633 nan 8.190 nan 0.000 0.436 896 L N 5.427 126.620 121.223 -0.050 0.000 2.289 896 L HA 0.690 5.029 4.340 -0.001 0.000 0.285 896 L C -0.137 176.692 176.870 -0.068 0.000 1.049 896 L CA 0.658 55.460 54.840 -0.064 0.000 0.804 896 L CB 1.070 43.088 42.059 -0.069 0.000 1.195 896 L HN 0.743 nan 8.230 nan 0.000 0.428 897 E N 3.373 123.526 120.200 -0.078 0.000 2.390 897 E HA 0.416 4.765 4.350 -0.001 0.000 0.277 897 E C -1.281 175.272 176.600 -0.078 0.000 0.939 897 E CA -1.213 55.138 56.400 -0.083 0.000 0.769 897 E CB 1.432 31.067 29.700 -0.108 0.000 1.251 897 E HN 0.216 nan 8.360 nan 0.000 0.450 898 K N 1.336 121.694 120.400 -0.070 0.000 2.322 898 K HA 0.167 4.487 4.320 -0.001 0.000 0.283 898 K C 0.437 176.993 176.600 -0.074 0.000 1.042 898 K CA -0.166 56.084 56.287 -0.062 0.000 0.958 898 K CB 1.010 33.479 32.500 -0.052 0.000 0.984 898 K HN 0.492 nan 8.250 nan 0.000 0.473 899 V N -0.397 119.475 119.914 -0.070 0.000 3.346 899 V HA 0.032 4.151 4.120 -0.001 0.000 0.309 899 V C 1.175 177.234 176.094 -0.059 0.000 1.457 899 V CA -0.228 62.023 62.300 -0.081 0.000 1.069 899 V CB -0.222 31.536 31.823 -0.108 0.000 0.944 899 V HN 0.621 nan 8.190 nan 0.000 0.449 900 N N 1.659 120.333 118.700 -0.043 0.000 2.272 900 N HA -0.198 4.541 4.740 -0.001 0.000 0.185 900 N C 1.036 176.526 175.510 -0.034 0.000 1.014 900 N CA 1.795 54.826 53.050 -0.031 0.000 0.870 900 N CB -0.579 37.894 38.487 -0.023 0.000 0.975 900 N HN 0.548 nan 8.380 nan 0.000 0.433 901 N N -0.003 118.671 118.700 -0.043 0.000 2.336 901 N HA 0.064 4.804 4.740 -0.001 0.000 0.189 901 N C -0.274 175.204 175.510 -0.052 0.000 1.113 901 N CA -0.081 52.943 53.050 -0.043 0.000 0.858 901 N CB 0.031 38.492 38.487 -0.043 0.000 0.970 901 N HN 0.218 nan 8.380 nan 0.000 0.471 902 c N 1.316 119.878 118.600 -0.062 0.000 2.601 902 c HA 0.253 4.823 4.570 -0.001 0.000 0.409 902 c C 1.026 175.077 174.090 -0.065 0.000 1.293 902 c CA -0.925 55.359 56.329 -0.075 0.000 2.101 902 c CB 0.747 43.197 42.510 -0.098 0.000 2.639 902 c HN 0.017 nan 8.230 nan 0.000 0.592 903 V N 5.893 125.765 119.914 -0.071 0.000 2.387 903 V HA 0.200 4.319 4.120 -0.001 0.000 0.260 903 V C 0.650 176.704 176.094 -0.066 0.000 1.054 903 V CA 0.399 62.661 62.300 -0.062 0.000 0.967 903 V CB -0.648 31.134 31.823 -0.068 0.000 1.036 903 V HN 0.793 nan 8.190 nan 0.000 0.481 904 R N 4.608 125.081 120.500 -0.044 0.000 2.758 904 R HA 0.544 4.883 4.340 -0.001 0.000 0.265 904 R C -2.432 173.859 176.300 -0.016 0.000 1.016 904 R CA -1.864 54.218 56.100 -0.031 0.000 1.040 904 R CB 1.044 31.331 30.300 -0.023 0.000 1.152 904 R HN 0.398 nan 8.270 nan 0.000 0.503 905 P HA -0.047 nan 4.420 nan 0.000 0.270 905 P C -0.387 176.947 177.300 0.058 0.000 1.223 905 P CA -0.199 62.884 63.100 -0.028 0.000 0.785 905 P CB 0.529 32.138 31.700 -0.152 0.000 0.923 906 S N 0.915 116.678 115.700 0.104 0.000 2.580 906 S HA 0.038 4.508 4.470 -0.001 0.000 0.266 906 S C 1.056 175.735 174.600 0.133 0.000 1.354 906 S CA -0.103 58.163 58.200 0.111 0.000 1.008 906 S CB 0.251 63.521 63.200 0.116 0.000 0.898 906 S HN 0.312 nan 8.310 nan 0.000 0.555 907 K N 0.719 121.180 120.400 0.100 0.000 2.281 907 K HA -0.008 4.312 4.320 -0.001 0.000 0.203 907 K C 1.428 178.085 176.600 0.095 0.000 1.046 907 K CA 1.321 57.665 56.287 0.096 0.000 0.938 907 K CB -0.536 32.005 32.500 0.068 0.000 0.737 907 K HN 0.565 nan 8.250 nan 0.000 0.458 908 L N -0.171 121.112 121.223 0.100 0.000 2.567 908 L HA 0.041 4.380 4.340 -0.001 0.000 0.225 908 L C 1.016 177.944 176.870 0.097 0.000 1.119 908 L CA -0.246 54.639 54.840 0.074 0.000 0.871 908 L CB -0.162 41.925 42.059 0.048 0.000 1.036 908 L HN 0.246 nan 8.230 nan 0.000 0.459 909 H N 2.486 121.595 119.070 0.066 0.000 2.803 909 H HA 0.088 4.644 4.556 -0.001 0.000 0.330 909 H C -1.761 173.611 175.328 0.073 0.000 1.057 909 H CA -1.461 54.638 56.048 0.086 0.000 1.458 909 H CB 1.810 31.650 29.762 0.129 0.000 1.470 909 H HN -0.097 nan 8.280 nan 0.000 0.560 910 P HA 0.129 nan 4.420 nan 0.000 0.249 910 P C -0.412 177.002 177.300 0.190 0.000 1.229 910 P CA 0.206 63.352 63.100 0.078 0.000 0.788 910 P CB 0.454 32.124 31.700 -0.048 0.000 1.072 911 A N -0.316 122.780 122.820 0.459 0.000 2.299 911 A HA 0.748 5.068 4.320 -0.001 0.000 0.332 911 A C 0.330 177.974 177.584 0.100 0.000 1.131 911 A CA -0.330 51.842 52.037 0.224 0.000 0.844 911 A CB 1.000 20.127 19.000 0.210 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.328 107.414 108.800 -0.097 0.000 2.658 912 G HA2 0.639 4.598 3.960 -0.001 0.000 0.292 912 G HA3 0.639 4.598 3.960 -0.001 0.000 0.292 912 G C -1.821 172.697 174.900 -0.637 0.000 1.320 912 G CA -0.426 44.500 45.100 -0.290 0.000 0.933 912 G HN 0.529 nan 8.290 nan 0.000 0.476 913 Y N -0.909 119.344 120.300 -0.078 0.000 2.492 913 Y HA 0.480 5.030 4.550 -0.001 0.000 0.346 913 Y C 0.359 176.013 175.900 -0.411 0.000 0.997 913 Y CA -0.843 57.146 58.100 -0.185 0.000 1.025 913 Y CB 1.995 40.340 38.460 -0.192 0.000 1.263 913 Y HN 0.343 nan 8.280 nan 0.000 0.454 914 L N 2.174 123.228 121.223 -0.282 0.000 2.464 914 L HA 0.338 4.678 4.340 -0.001 0.000 0.264 914 L C 0.764 177.477 176.870 -0.262 0.000 1.199 914 L CA -0.486 54.112 54.840 -0.404 0.000 0.818 914 L CB 0.741 42.643 42.059 -0.262 0.000 1.102 914 L HN 0.801 nan 8.230 nan 0.000 0.473 915 T N -2.410 111.980 114.554 -0.273 0.000 2.816 915 T HA 0.040 4.390 4.350 -0.001 0.000 0.282 915 T C 1.189 175.834 174.700 -0.091 0.000 0.993 915 T CA -0.139 61.854 62.100 -0.178 0.000 0.994 915 T CB 1.442 70.202 68.868 -0.180 0.000 1.025 915 T HN 0.630 nan 8.240 nan 0.000 0.529 916 S N 0.715 116.373 115.700 -0.069 0.000 2.365 916 S HA -0.193 4.276 4.470 -0.001 0.000 0.225 916 S C 2.330 176.935 174.600 0.008 0.000 1.039 916 S CA 1.678 59.869 58.200 -0.015 0.000 1.033 916 S CB -1.259 61.916 63.200 -0.042 0.000 0.887 916 S HN 0.941 nan 8.310 nan 0.000 0.447 917 A N 1.126 123.927 122.820 -0.032 0.000 1.930 917 A HA 0.253 4.573 4.320 -0.001 0.000 0.217 917 A C 2.478 180.051 177.584 -0.018 0.000 1.175 917 A CA 1.849 53.870 52.037 -0.027 0.000 0.627 917 A CB -1.331 17.644 19.000 -0.042 0.000 0.815 917 A HN 0.816 nan 8.150 nan 0.000 0.443 918 A N -0.956 121.841 122.820 -0.038 0.000 1.930 918 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 918 A C 2.015 179.622 177.584 0.039 0.000 1.175 918 A CA 1.996 54.016 52.037 -0.029 0.000 0.627 918 A CB -0.819 18.110 19.000 -0.117 0.000 0.815 918 A HN 0.764 nan 8.150 nan 0.000 0.443 919 H N 0.099 119.151 119.070 -0.029 0.000 2.321 919 H HA -0.027 4.528 4.556 -0.001 0.000 0.300 919 H C 1.913 177.272 175.328 0.052 0.000 1.087 919 H CA 2.169 58.236 56.048 0.031 0.000 1.319 919 H CB -0.113 29.661 29.762 0.020 0.000 1.379 919 H HN 0.408 nan 8.280 nan 0.000 0.501 920 K N -0.162 120.184 120.400 -0.089 0.000 2.097 920 K HA -0.094 4.226 4.320 -0.001 0.000 0.206 920 K C 2.377 178.933 176.600 -0.074 0.000 1.049 920 K CA 0.951 57.172 56.287 -0.111 0.000 0.933 920 K CB -0.163 32.321 32.500 -0.027 0.000 0.717 920 K HN 0.390 nan 8.250 nan 0.000 0.442 921 A N 0.871 123.672 122.820 -0.032 0.000 1.933 921 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 921 A C 2.213 179.793 177.584 -0.006 0.000 1.175 921 A CA 2.031 54.065 52.037 -0.006 0.000 0.628 921 A CB -0.623 18.390 19.000 0.020 0.000 0.814 921 A HN 0.285 nan 8.150 nan 0.000 0.444 922 S N -0.707 114.991 115.700 -0.003 0.000 2.368 922 S HA -0.227 4.243 4.470 -0.001 0.000 0.225 922 S C 2.144 176.723 174.600 -0.036 0.000 1.030 922 S CA 1.671 59.886 58.200 0.024 0.000 0.999 922 S CB -0.401 62.862 63.200 0.104 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.348 120.080 119.800 -0.113 0.000 2.124 923 Q HA -0.046 4.294 4.340 -0.001 0.000 0.202 923 Q C 2.423 178.367 176.000 -0.093 0.000 0.977 923 Q CA 1.632 57.370 55.803 -0.108 0.000 0.850 923 Q CB -0.262 28.394 28.738 -0.138 0.000 0.901 923 Q HN 0.510 nan 8.270 nan 0.000 0.429 924 S N 0.831 116.486 115.700 -0.074 0.000 2.399 924 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 924 S C 1.892 176.430 174.600 -0.104 0.000 1.022 924 S CA 0.831 58.986 58.200 -0.076 0.000 0.983 924 S CB -0.068 63.106 63.200 -0.043 0.000 0.803 924 S HN 0.278 nan 8.310 nan 0.000 0.480 925 L N 0.407 121.579 121.223 -0.084 0.000 2.068 925 L HA 0.061 4.401 4.340 -0.001 0.000 0.204 925 L C 2.070 178.848 176.870 -0.153 0.000 1.076 925 L CA 0.977 55.759 54.840 -0.098 0.000 0.753 925 L CB -0.368 41.657 42.059 -0.057 0.000 0.910 925 L HN 0.273 nan 8.230 nan 0.000 0.439 926 L N -1.296 119.841 121.223 -0.144 0.000 2.249 926 L HA 0.027 4.366 4.340 -0.001 0.000 0.207 926 L C 0.171 176.869 176.870 -0.288 0.000 1.090 926 L CA 0.725 55.456 54.840 -0.182 0.000 0.802 926 L CB 0.105 42.092 42.059 -0.119 0.000 0.947 926 L HN 0.209 nan 8.230 nan 0.000 0.453 927 D N 0.397 120.623 120.400 -0.291 0.000 2.613 927 D HA 0.226 4.866 4.640 -0.001 0.000 0.312 927 D C -2.371 173.688 176.300 -0.403 0.000 1.202 927 D CA -1.001 52.758 54.000 -0.403 0.000 0.825 927 D CB 1.326 42.089 40.800 -0.062 0.000 1.113 927 D HN 0.042 nan 8.370 nan 0.000 0.502 928 P HA 0.090 nan 4.420 nan 0.000 0.273 928 P C 0.606 177.770 177.300 -0.227 0.000 1.250 928 P CA -0.462 62.454 63.100 -0.307 0.000 0.793 928 P CB 1.460 32.982 31.700 -0.296 0.000 1.011 929 L N 0.929 122.085 121.223 -0.112 0.000 2.514 929 L HA 0.052 4.392 4.340 -0.001 0.000 0.280 929 L C 0.930 177.812 176.870 0.019 0.000 1.223 929 L CA 0.503 55.332 54.840 -0.018 0.000 0.864 929 L CB -0.388 41.674 42.059 0.004 0.000 1.118 929 L HN 0.282 nan 8.230 nan 0.000 0.494 930 D N 3.518 124.018 120.400 0.166 0.000 2.264 930 D HA 0.323 4.963 4.640 -0.001 0.000 0.249 930 D C -0.307 176.057 176.300 0.106 0.000 1.070 930 D CA -0.277 53.813 54.000 0.150 0.000 0.912 930 D CB 1.630 42.614 40.800 0.306 0.000 1.193 930 D HN 0.381 nan 8.370 nan 0.000 0.427 931 K N 1.368 121.714 120.400 -0.091 0.000 2.345 931 K HA 0.466 4.785 4.320 -0.001 0.000 0.255 931 K C -1.032 175.529 176.600 -0.065 0.000 0.934 931 K CA -0.644 55.693 56.287 0.083 0.000 0.801 931 K CB 1.582 34.083 32.500 0.000 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.636 122.792 119.950 0.343 0.000 2.520 932 F HA 0.495 5.022 4.527 -0.001 0.000 0.322 932 F C -0.010 176.075 175.800 0.476 0.000 1.103 932 F CA -0.881 57.304 58.000 0.308 0.000 0.926 932 F CB 1.293 40.298 39.000 0.008 0.000 1.154 932 F HN 0.199 nan 8.300 nan 0.000 0.453 933 I N 3.584 124.539 120.570 0.640 0.000 2.362 933 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 933 I C -0.565 175.847 176.117 0.492 0.000 0.994 933 I CA -0.829 60.773 61.300 0.504 0.000 1.158 933 I CB 1.216 39.409 38.000 0.322 0.000 1.315 933 I HN 0.436 nan 8.210 nan 0.000 0.451 934 F N 5.773 125.894 119.950 0.285 0.000 2.578 934 F HA 0.186 4.712 4.527 -0.001 0.000 0.376 934 F C 1.230 176.951 175.800 -0.132 0.000 1.085 934 F CA 0.135 58.009 58.000 -0.210 0.000 1.260 934 F CB 1.173 40.072 39.000 -0.168 0.000 1.095 934 F HN 0.613 nan 8.300 nan 0.000 0.573 935 A N 4.222 126.503 122.820 -0.899 0.000 1.898 935 A HA 0.027 4.346 4.320 -0.001 0.000 0.214 935 A C 1.095 178.420 177.584 -0.432 0.000 1.183 935 A CA 0.762 52.470 52.037 -0.548 0.000 0.622 935 A CB -0.337 18.302 19.000 -0.602 0.000 0.824 935 A HN 0.665 nan 8.150 nan 0.000 0.444 936 E N -0.299 119.487 120.200 -0.690 0.000 2.330 936 E HA 0.192 4.542 4.350 -0.001 0.000 0.256 936 E C 0.343 177.039 176.600 0.161 0.000 1.146 936 E CA -0.632 55.663 56.400 -0.175 0.000 0.945 936 E CB 0.143 29.782 29.700 -0.101 0.000 1.182 936 E HN 0.233 nan 8.360 nan 0.000 0.480 937 N N 0.598 119.406 118.700 0.181 0.000 2.216 937 N HA -0.100 4.640 4.740 -0.001 0.000 0.183 937 N C 0.020 175.682 175.510 0.254 0.000 1.017 937 N CA 0.897 54.066 53.050 0.199 0.000 0.861 937 N CB 0.324 38.885 38.487 0.122 0.000 0.986 937 N HN 0.436 nan 8.380 nan 0.000 0.428 938 E N -0.716 119.658 120.200 0.290 0.000 2.275 938 E HA 0.102 4.452 4.350 -0.001 0.000 0.270 938 E C -1.520 175.192 176.600 0.187 0.000 0.882 938 E CA -0.684 55.817 56.400 0.169 0.000 0.758 938 E CB 1.257 31.016 29.700 0.099 0.000 1.195 938 E HN 0.006 nan 8.360 nan 0.000 0.419 939 W N 8.061 129.070 121.300 -0.485 0.000 2.295 939 W HA 0.386 5.045 4.660 -0.001 0.000 0.333 939 W C -1.184 175.146 176.519 -0.314 0.000 0.990 939 W CA -1.387 55.524 57.345 -0.724 0.000 1.453 939 W CB -0.121 28.394 29.460 -1.576 0.000 1.263 939 W HN 0.453 nan 8.180 nan 0.000 0.380 940 I N 6.103 126.785 120.570 0.187 0.000 2.496 940 I HA 0.202 4.372 4.170 -0.001 0.000 0.285 940 I C 1.473 177.604 176.117 0.023 0.000 1.080 940 I CA 0.983 62.317 61.300 0.057 0.000 1.404 940 I CB 0.454 38.510 38.000 0.093 0.000 1.403 940 I HN 0.779 nan 8.210 nan 0.000 0.539 941 G N 4.417 113.140 108.800 -0.128 0.000 2.143 941 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.249 941 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.249 941 G C 0.404 175.086 174.900 -0.362 0.000 0.981 941 G CA -0.053 44.956 45.100 -0.151 0.000 0.665 941 G HN 0.985 nan 8.290 nan 0.000 0.528 942 A N -0.423 121.920 122.820 -0.795 0.000 2.498 942 A HA 0.573 4.892 4.320 -0.001 0.000 0.239 942 A C 0.578 177.765 177.584 -0.662 0.000 1.068 942 A CA 0.794 52.018 52.037 -1.355 0.000 0.766 942 A CB 0.259 18.104 19.000 -1.926 0.000 1.003 942 A HN 0.639 nan 8.150 nan 0.000 0.497 943 Q N 0.677 120.164 119.800 -0.522 0.000 2.351 943 Q HA 0.535 4.874 4.340 -0.001 0.000 0.273 943 Q C 1.069 176.961 176.000 -0.180 0.000 1.077 943 Q CA -0.218 55.435 55.803 -0.251 0.000 0.843 943 Q CB 1.903 30.560 28.738 -0.135 0.000 1.367 943 Q HN 0.790 nan 8.270 nan 0.000 0.449 944 G N -0.011 108.720 108.800 -0.116 0.000 2.744 944 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.211 944 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.211 944 G C 0.150 175.025 174.900 -0.041 0.000 1.146 944 G CA 0.495 45.539 45.100 -0.094 0.000 0.787 944 G HN 0.423 nan 8.290 nan 0.000 0.534 945 Q N -1.259 118.535 119.800 -0.010 0.000 2.426 945 Q HA 0.518 4.858 4.340 -0.001 0.000 0.278 945 Q C -2.371 173.658 176.000 0.048 0.000 1.007 945 Q CA -0.911 54.902 55.803 0.016 0.000 0.850 945 Q CB 2.288 31.021 28.738 -0.008 0.000 1.427 945 Q HN 0.056 nan 8.270 nan 0.000 0.391 946 F N 1.232 121.097 119.950 -0.143 0.000 2.569 946 F HA 0.644 5.171 4.527 -0.001 0.000 0.312 946 F C 0.502 176.060 175.800 -0.402 0.000 1.109 946 F CA 0.463 58.313 58.000 -0.251 0.000 0.919 946 F CB 2.070 40.930 39.000 -0.232 0.000 1.211 946 F HN 0.673 nan 8.300 nan 0.000 0.446 947 G N 3.019 110.845 108.800 -1.623 0.000 2.141 947 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.231 947 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.231 947 G C 1.016 175.241 174.900 -1.125 0.000 0.984 947 G CA 0.245 44.103 45.100 -2.071 0.000 0.660 947 G HN 1.577 nan 8.290 nan 0.000 0.525 948 G N 1.075 109.513 108.800 -0.604 0.000 2.470 948 G HA2 0.036 3.996 3.960 -0.001 0.000 0.220 948 G HA3 0.036 3.996 3.960 -0.001 0.000 0.220 948 G C 1.231 176.065 174.900 -0.109 0.000 1.121 948 G CA 1.753 46.723 45.100 -0.216 0.000 0.766 948 G HN 0.825 nan 8.290 nan 0.000 0.553 949 D N -0.768 119.488 120.400 -0.240 0.000 2.349 949 D HA 0.011 4.650 4.640 -0.001 0.000 0.214 949 D C 0.356 176.656 176.300 0.000 0.000 1.063 949 D CA -0.462 53.489 54.000 -0.081 0.000 0.847 949 D CB -0.880 39.882 40.800 -0.065 0.000 0.933 949 D HN 0.456 nan 8.370 nan 0.000 0.513 950 H N 1.185 120.150 119.070 -0.175 0.000 2.764 950 H HA 0.220 4.775 4.556 -0.001 0.000 0.341 950 H C -1.983 173.313 175.328 -0.054 0.000 1.072 950 H CA -1.771 54.197 56.048 -0.133 0.000 1.444 950 H CB 0.568 30.201 29.762 -0.215 0.000 1.458 950 H HN -0.001 nan 8.280 nan 0.000 0.572 951 P HA -0.068 nan 4.420 nan 0.000 0.265 951 P C -0.535 176.829 177.300 0.107 0.000 1.193 951 P CA 0.153 63.313 63.100 0.100 0.000 0.765 951 P CB 0.700 32.438 31.700 0.063 0.000 0.823 952 S N 2.356 118.155 115.700 0.165 0.000 2.464 952 S HA 0.565 5.034 4.470 -0.001 0.000 0.313 952 S C 0.040 174.749 174.600 0.182 0.000 1.078 952 S CA -0.567 57.761 58.200 0.212 0.000 1.096 952 S CB -0.701 62.742 63.200 0.405 0.000 1.032 952 S HN 0.489 nan 8.310 nan 0.000 0.498 953 A N 4.444 127.362 122.820 0.163 0.000 2.304 953 A HA 0.530 4.849 4.320 -0.001 0.000 0.271 953 A C 0.540 178.190 177.584 0.110 0.000 1.091 953 A CA -0.602 51.508 52.037 0.122 0.000 0.812 953 A CB 0.254 19.323 19.000 0.115 0.000 1.056 953 A HN 0.899 nan 8.150 nan 0.000 0.489 954 R N -0.008 120.527 120.500 0.057 0.000 2.697 954 R HA -0.026 4.314 4.340 -0.001 0.000 0.265 954 R C 1.432 177.740 176.300 0.013 0.000 1.009 954 R CA 0.916 57.024 56.100 0.012 0.000 1.099 954 R CB 0.336 30.627 30.300 -0.015 0.000 0.965 954 R HN 0.920 nan 8.270 nan 0.000 0.428 955 E N 1.690 121.859 120.200 -0.051 0.000 2.204 955 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 955 E C 0.346 176.972 176.600 0.043 0.000 0.990 955 E CA 1.544 57.895 56.400 -0.082 0.000 0.821 955 E CB -0.072 29.556 29.700 -0.121 0.000 0.750 955 E HN 0.758 nan 8.360 nan 0.000 0.477 956 D N 0.674 121.063 120.400 -0.019 0.000 2.349 956 D HA -0.011 4.629 4.640 -0.001 0.000 0.224 956 D C 0.384 176.676 176.300 -0.014 0.000 1.029 956 D CA -0.093 53.855 54.000 -0.085 0.000 0.879 956 D CB -0.032 40.662 40.800 -0.177 0.000 0.906 956 D HN 0.178 nan 8.370 nan 0.000 0.528 957 L N 0.782 122.046 121.223 0.067 0.000 2.309 957 L HA 0.519 4.859 4.340 -0.001 0.000 0.282 957 L C -1.132 175.859 176.870 0.202 0.000 1.036 957 L CA -0.467 54.431 54.840 0.097 0.000 0.806 957 L CB 1.694 43.799 42.059 0.077 0.000 1.220 957 L HN -0.223 nan 8.230 nan 0.000 0.429 958 D N 2.372 122.912 120.400 0.234 0.000 2.575 958 D HA 0.363 5.003 4.640 -0.001 0.000 0.236 958 D C -1.288 175.168 176.300 0.259 0.000 1.075 958 D CA -0.270 53.892 54.000 0.268 0.000 0.860 958 D CB 2.409 43.412 40.800 0.338 0.000 1.475 958 D HN 0.238 nan 8.370 nan 0.000 0.474 959 V N 3.511 123.557 119.914 0.219 0.000 2.267 959 V HA 0.119 4.239 4.120 -0.001 0.000 0.254 959 V C 1.315 177.541 176.094 0.220 0.000 1.144 959 V CA -0.006 62.435 62.300 0.235 0.000 0.992 959 V CB 0.361 32.311 31.823 0.212 0.000 1.199 959 V HN 0.579 nan 8.190 nan 0.000 0.493 960 S N 3.029 118.887 115.700 0.263 0.000 2.382 960 S HA -0.017 4.452 4.470 -0.001 0.000 0.228 960 S C 0.687 175.341 174.600 0.090 0.000 1.027 960 S CA 0.867 59.175 58.200 0.181 0.000 0.991 960 S CB 0.164 63.525 63.200 0.269 0.000 0.823 960 S HN 0.496 nan 8.310 nan 0.000 0.469 961 V N 1.604 121.611 119.914 0.155 0.000 2.638 961 V HA 0.529 4.648 4.120 -0.001 0.000 0.306 961 V C -0.735 175.433 176.094 0.123 0.000 1.052 961 V CA -0.548 61.822 62.300 0.115 0.000 0.885 961 V CB 1.845 33.760 31.823 0.153 0.000 0.999 961 V HN 0.373 nan 8.190 nan 0.000 0.424 962 M N 5.641 125.237 119.600 -0.007 0.000 2.197 962 M HA 0.683 5.163 4.480 -0.001 0.000 0.301 962 M C -1.018 175.123 176.300 -0.265 0.000 0.987 962 M CA -0.495 54.673 55.300 -0.221 0.000 0.921 962 M CB 1.469 33.945 32.600 -0.206 0.000 1.569 962 M HN 0.740 nan 8.290 nan 0.000 0.431 963 R N 4.083 124.356 120.500 -0.379 0.000 2.515 963 R HA 0.425 4.764 4.340 -0.001 0.000 0.291 963 R C -1.370 174.707 176.300 -0.372 0.000 1.046 963 R CA -0.695 55.234 56.100 -0.286 0.000 0.914 963 R CB 1.805 32.015 30.300 -0.149 0.000 1.191 963 R HN 0.903 nan 8.270 nan 0.000 0.435 964 R N 4.494 124.830 120.500 -0.273 0.000 2.442 964 R HA 0.123 4.463 4.340 -0.001 0.000 0.291 964 R C 0.205 176.396 176.300 -0.181 0.000 1.069 964 R CA 0.109 56.075 56.100 -0.223 0.000 1.022 964 R CB 0.597 30.823 30.300 -0.124 0.000 0.976 964 R HN 0.705 nan 8.270 nan 0.000 0.443 965 L N 3.007 124.115 121.223 -0.192 0.000 2.616 965 L HA 0.140 4.479 4.340 -0.001 0.000 0.229 965 L C 0.345 177.163 176.870 -0.087 0.000 1.110 965 L CA 0.055 54.801 54.840 -0.157 0.000 0.884 965 L CB 0.420 42.351 42.059 -0.213 0.000 1.115 965 L HN 0.710 nan 8.230 nan 0.000 0.481 966 T N -2.501 112.013 114.554 -0.067 0.000 2.885 966 T HA 0.459 4.808 4.350 -0.001 0.000 0.285 966 T C -0.223 174.469 174.700 -0.013 0.000 1.019 966 T CA -0.912 61.166 62.100 -0.035 0.000 1.010 966 T CB 2.381 71.234 68.868 -0.025 0.000 1.022 966 T HN -0.076 nan 8.240 nan 0.000 0.466 967 K N 0.894 121.292 120.400 -0.004 0.000 2.117 967 K HA 0.343 4.663 4.320 -0.001 0.000 0.240 967 K C 1.641 178.255 176.600 0.022 0.000 1.031 967 K CA -0.319 55.977 56.287 0.015 0.000 0.909 967 K CB 0.500 33.007 32.500 0.011 0.000 1.097 967 K HN 0.785 nan 8.250 nan 0.000 0.492 968 S N -0.635 115.087 115.700 0.036 0.000 2.447 968 S HA -0.146 4.323 4.470 -0.001 0.000 0.233 968 S C 1.751 176.365 174.600 0.023 0.000 1.006 968 S CA 1.418 59.638 58.200 0.034 0.000 0.957 968 S CB -0.393 62.834 63.200 0.045 0.000 0.773 968 S HN 0.620 nan 8.310 nan 0.000 0.507 969 S N 1.593 117.304 115.700 0.019 0.000 2.522 969 S HA 0.421 4.891 4.470 -0.001 0.000 0.227 969 S C 0.850 175.455 174.600 0.009 0.000 0.986 969 S CA 0.081 58.290 58.200 0.015 0.000 0.929 969 S CB -0.624 62.584 63.200 0.014 0.000 0.769 969 S HN 0.776 nan 8.310 nan 0.000 0.529 970 A N 1.972 124.796 122.820 0.007 0.000 2.454 970 A HA 0.358 4.678 4.320 -0.001 0.000 0.260 970 A C 1.241 178.829 177.584 0.008 0.000 1.106 970 A CA -0.393 51.646 52.037 0.003 0.000 0.780 970 A CB 0.215 19.213 19.000 -0.003 0.000 1.044 970 A HN 0.444 nan 8.150 nan 0.000 0.498 971 K N 1.657 122.060 120.400 0.006 0.000 2.147 971 K HA -0.070 4.249 4.320 -0.001 0.000 0.205 971 K C -0.030 176.578 176.600 0.013 0.000 1.049 971 K CA 1.487 57.779 56.287 0.009 0.000 0.936 971 K CB 0.025 32.529 32.500 0.005 0.000 0.722 971 K HN 0.659 nan 8.250 nan 0.000 0.446 972 T N 2.460 117.019 114.554 0.008 0.000 2.801 972 T HA 0.190 4.539 4.350 -0.001 0.000 0.306 972 T C -0.837 173.875 174.700 0.020 0.000 1.020 972 T CA -0.683 61.425 62.100 0.012 0.000 0.948 972 T CB 1.445 70.310 68.868 -0.005 0.000 0.962 972 T HN 0.066 nan 8.240 nan 0.000 0.465 973 Q N 2.694 122.525 119.800 0.051 0.000 2.340 973 Q HA 0.397 4.736 4.340 -0.001 0.000 0.249 973 Q C 0.059 176.110 176.000 0.086 0.000 0.957 973 Q CA 0.070 55.907 55.803 0.057 0.000 0.882 973 Q CB 1.298 30.073 28.738 0.062 0.000 1.235 973 Q HN 0.534 nan 8.270 nan 0.000 0.439 974 R N 0.388 120.905 120.500 0.028 0.000 2.561 974 R HA 0.630 4.969 4.340 -0.001 0.000 0.297 974 R C -1.101 175.152 176.300 -0.079 0.000 0.969 974 R CA -0.593 55.506 56.100 -0.002 0.000 0.879 974 R CB 1.846 32.111 30.300 -0.059 0.000 1.178 974 R HN 0.257 nan 8.270 nan 0.000 0.445 975 V N 1.667 121.529 119.914 -0.086 0.000 2.531 975 V HA 0.613 4.732 4.120 -0.001 0.000 0.301 975 V C 0.203 176.019 176.094 -0.463 0.000 1.034 975 V CA -0.856 61.262 62.300 -0.303 0.000 0.865 975 V CB 2.019 33.668 31.823 -0.290 0.000 0.995 975 V HN 0.936 nan 8.190 nan 0.000 0.424 976 G N 2.960 111.292 108.800 -0.781 0.000 2.371 976 G HA2 0.665 4.625 3.960 -0.001 0.000 0.326 976 G HA3 0.665 4.625 3.960 -0.001 0.000 0.326 976 G C -1.657 172.830 174.900 -0.688 0.000 1.127 976 G CA -0.307 44.187 45.100 -1.009 0.000 0.885 976 G HN 0.505 nan 8.290 nan 0.000 0.477 977 Y N 0.366 120.765 120.300 0.166 0.000 2.442 977 Y HA 0.471 5.021 4.550 -0.001 0.000 0.344 977 Y C -0.111 176.054 175.900 0.442 0.000 0.976 977 Y CA -0.891 57.384 58.100 0.292 0.000 1.040 977 Y CB 2.753 41.350 38.460 0.229 0.000 1.228 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 4.826 125.029 119.914 0.482 0.000 2.398 978 V HA 0.381 4.501 4.120 -0.001 0.000 0.286 978 V C -0.893 175.423 176.094 0.369 0.000 1.026 978 V CA -0.675 61.834 62.300 0.348 0.000 0.868 978 V CB 1.572 33.553 31.823 0.263 0.000 0.982 978 V HN 0.530 nan 8.190 nan 0.000 0.443 979 L N 5.088 126.514 121.223 0.339 0.000 2.298 979 L HA 0.595 4.935 4.340 -0.001 0.000 0.284 979 L C -0.689 176.368 176.870 0.312 0.000 1.013 979 L CA -0.199 54.834 54.840 0.322 0.000 0.824 979 L CB 1.204 43.457 42.059 0.323 0.000 1.221 979 L HN 0.772 nan 8.230 nan 0.000 0.418 980 H N 4.369 123.589 119.070 0.249 0.000 2.505 980 H HA 0.536 5.091 4.556 -0.001 0.000 0.338 980 H C -0.984 174.428 175.328 0.139 0.000 1.057 980 H CA -0.513 55.651 56.048 0.193 0.000 1.202 980 H CB 0.986 30.932 29.762 0.305 0.000 1.466 980 H HN 0.598 nan 8.280 nan 0.000 0.499 981 R N 4.321 124.490 120.500 -0.551 0.000 2.338 981 R HA 0.283 4.623 4.340 -0.001 0.000 0.317 981 R C -0.264 175.603 176.300 -0.721 0.000 0.968 981 R CA -0.453 55.378 56.100 -0.447 0.000 0.849 981 R CB 1.280 31.446 30.300 -0.224 0.000 1.128 981 R HN 0.764 nan 8.270 nan 0.000 0.448 982 T N 1.460 115.745 114.554 -0.449 0.000 2.833 982 T HA 0.182 4.532 4.350 -0.001 0.000 0.292 982 T C -0.522 174.002 174.700 -0.293 0.000 1.031 982 T CA -0.450 61.477 62.100 -0.288 0.000 0.937 982 T CB 0.593 69.364 68.868 -0.161 0.000 1.256 982 T HN 0.678 nan 8.240 nan 0.000 0.551 983 N N 0.599 119.150 118.700 -0.247 0.000 2.410 983 N HA 0.468 5.207 4.740 -0.001 0.000 0.287 983 N C -1.466 173.886 175.510 -0.264 0.000 1.044 983 N CA -0.485 52.364 53.050 -0.336 0.000 0.881 983 N CB 0.678 38.813 38.487 -0.586 0.000 1.405 983 N HN 0.468 nan 8.380 nan 0.000 0.490 984 L N 2.669 123.734 121.223 -0.264 0.000 2.331 984 L HA 0.540 4.879 4.340 -0.001 0.000 0.275 984 L C 0.540 177.286 176.870 -0.208 0.000 1.022 984 L CA -0.965 53.753 54.840 -0.204 0.000 0.812 984 L CB 1.559 43.508 42.059 -0.184 0.000 1.257 984 L HN 0.385 nan 8.230 nan 0.000 0.435 985 M N 2.198 121.696 119.600 -0.171 0.000 2.245 985 M HA 0.072 4.551 4.480 -0.001 0.000 0.344 985 M C -0.159 176.054 176.300 -0.145 0.000 1.170 985 M CA -0.067 55.136 55.300 -0.163 0.000 1.135 985 M CB 0.430 32.938 32.600 -0.152 0.000 1.574 985 M HN 0.460 nan 8.290 nan 0.000 0.452 986 Q N 2.050 121.768 119.800 -0.135 0.000 2.307 986 Q HA 0.179 4.518 4.340 -0.001 0.000 0.259 986 Q C -0.177 175.766 176.000 -0.096 0.000 0.998 986 Q CA 0.146 55.882 55.803 -0.110 0.000 0.923 986 Q CB 0.887 29.563 28.738 -0.102 0.000 1.196 986 Q HN 0.809 nan 8.270 nan 0.000 0.416 987 c N 0.537 119.084 118.600 -0.089 0.000 3.240 987 c HA 0.357 4.927 4.570 -0.001 0.000 0.271 987 c C 1.220 175.271 174.090 -0.066 0.000 1.534 987 c CA -0.040 56.241 56.329 -0.079 0.000 1.796 987 c CB -0.313 42.144 42.510 -0.088 0.000 2.892 987 c HN 1.000 nan 8.230 nan 0.000 0.566 988 G N 1.566 110.328 108.800 -0.062 0.000 2.132 988 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.234 988 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.234 988 G C -0.058 174.811 174.900 -0.051 0.000 0.989 988 G CA 0.373 45.442 45.100 -0.052 0.000 0.676 988 G HN 0.450 nan 8.290 nan 0.000 0.522 989 T N 1.696 116.216 114.554 -0.058 0.000 2.738 989 T HA 0.479 4.828 4.350 -0.001 0.000 0.298 989 T C -0.584 174.081 174.700 -0.059 0.000 0.962 989 T CA -0.614 61.452 62.100 -0.056 0.000 0.972 989 T CB 1.791 70.623 68.868 -0.060 0.000 0.928 989 T HN 0.042 nan 8.240 nan 0.000 0.474 990 P HA -0.072 nan 4.420 nan 0.000 0.221 990 P C 0.285 177.542 177.300 -0.071 0.000 1.145 990 P CA 0.498 63.566 63.100 -0.053 0.000 0.795 990 P CB -0.154 31.522 31.700 -0.040 0.000 0.775 991 E N 0.846 120.996 120.200 -0.083 0.000 0.749 991 E HA -0.245 4.105 4.350 -0.001 0.000 0.362 991 E C -0.699 175.811 176.600 -0.151 0.000 0.686 991 E CA 0.773 57.104 56.400 -0.116 0.000 1.367 991 E CB -0.801 28.836 29.700 -0.105 0.000 0.330 991 E HN 0.333 nan 8.360 nan 0.000 0.366 992 E N 2.850 122.905 120.200 -0.242 0.000 2.803 992 E HA 0.394 4.743 4.350 -0.001 0.000 0.250 992 E C -0.604 175.761 176.600 -0.392 0.000 1.102 992 E CA -0.365 55.885 56.400 -0.251 0.000 1.017 992 E CB 0.011 29.634 29.700 -0.128 0.000 1.346 992 E HN 0.793 nan 8.360 nan 0.000 0.532 993 H N -1.126 117.938 119.070 -0.010 0.000 2.527 993 H HA -0.122 4.434 4.556 -0.001 0.000 0.238 993 H C -0.587 174.747 175.328 0.010 0.000 0.658 993 H CA 0.551 56.598 56.048 -0.003 0.000 1.429 993 H CB -1.502 28.258 29.762 -0.004 0.000 1.348 993 H HN 0.408 nan 8.280 nan 0.000 0.379 994 T N 0.632 115.221 114.554 0.057 0.000 2.926 994 T HA 0.575 4.925 4.350 -0.001 0.000 0.289 994 T C -0.200 174.551 174.700 0.086 0.000 1.054 994 T CA -1.362 60.786 62.100 0.079 0.000 1.015 994 T CB 2.024 70.912 68.868 0.034 0.000 1.167 994 T HN 0.640 nan 8.240 nan 0.000 0.526 995 Q N 0.960 120.817 119.800 0.096 0.000 2.235 995 Q HA 0.451 4.790 4.340 -0.001 0.000 0.250 995 Q C -0.288 175.742 176.000 0.050 0.000 0.909 995 Q CA -0.862 54.985 55.803 0.073 0.000 0.910 995 Q CB 0.885 29.676 28.738 0.088 0.000 1.223 995 Q HN 0.344 nan 8.270 nan 0.000 0.432 996 K N 1.487 121.902 120.400 0.026 0.000 2.448 996 K HA 0.097 4.416 4.320 -0.001 0.000 0.278 996 K C -0.620 175.983 176.600 0.005 0.000 1.009 996 K CA -0.313 55.978 56.287 0.008 0.000 0.995 996 K CB 0.398 32.892 32.500 -0.010 0.000 0.917 996 K HN 0.456 nan 8.250 nan 0.000 0.481 997 L N 3.427 124.649 121.223 -0.001 0.000 2.265 997 L HA 0.214 4.554 4.340 -0.001 0.000 0.289 997 L C -0.641 176.192 176.870 -0.061 0.000 1.033 997 L CA -0.192 54.638 54.840 -0.016 0.000 0.814 997 L CB 0.922 42.983 42.059 0.003 0.000 1.203 997 L HN 0.418 nan 8.230 nan 0.000 0.423 998 D N 3.533 123.889 120.400 -0.074 0.000 2.460 998 D HA 0.164 4.804 4.640 -0.001 0.000 0.232 998 D C 1.076 177.279 176.300 -0.161 0.000 1.079 998 D CA -0.294 53.640 54.000 -0.110 0.000 0.864 998 D CB 1.241 42.016 40.800 -0.042 0.000 1.048 998 D HN 0.386 nan 8.370 nan 0.000 0.523 999 V N 1.394 121.117 119.914 -0.319 0.000 2.720 999 V HA -0.175 3.945 4.120 -0.001 0.000 0.256 999 V C 2.107 177.902 176.094 -0.498 0.000 1.082 999 V CA 1.021 62.956 62.300 -0.609 0.000 1.101 999 V CB -1.095 30.075 31.823 -1.089 0.000 0.693 999 V HN 0.614 nan 8.190 nan 0.000 0.479 1000 c N 0.596 119.037 118.600 -0.264 0.000 2.437 1000 c HA 0.018 4.588 4.570 -0.001 0.000 0.283 1000 c C 2.129 176.124 174.090 -0.158 0.000 1.424 1000 c CA 1.217 57.459 56.329 -0.145 0.000 1.782 1000 c CB -1.805 40.609 42.510 -0.160 0.000 1.833 1000 c HN 0.765 nan 8.230 nan 0.000 0.532 1001 H N -0.964 118.088 119.070 -0.031 0.000 2.594 1001 H HA 0.257 4.812 4.556 -0.001 0.000 0.279 1001 H C 1.736 177.099 175.328 0.058 0.000 1.042 1001 H CA -0.001 56.068 56.048 0.034 0.000 1.177 1001 H CB 0.045 29.809 29.762 0.004 0.000 1.524 1001 H HN 0.340 nan 8.280 nan 0.000 0.537 1002 L N -0.252 121.031 121.223 0.100 0.000 2.141 1002 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 1002 L C -0.107 176.904 176.870 0.235 0.000 1.094 1002 L CA 0.762 55.687 54.840 0.141 0.000 0.763 1002 L CB 0.061 42.170 42.059 0.082 0.000 0.908 1002 L HN 0.160 nan 8.230 nan 0.000 0.437 1003 L N -0.475 120.843 121.223 0.158 0.000 2.331 1003 L HA 0.412 4.752 4.340 -0.001 0.000 0.275 1003 L C -2.057 174.858 176.870 0.075 0.000 1.022 1003 L CA -1.690 53.169 54.840 0.032 0.000 0.812 1003 L CB 0.966 42.801 42.059 -0.372 0.000 1.257 1003 L HN -0.244 nan 8.230 nan 0.000 0.435 1004 P HA 0.197 nan 4.420 nan 0.000 0.276 1004 P C -0.829 176.587 177.300 0.193 0.000 1.261 1004 P CA -0.357 62.817 63.100 0.124 0.000 0.800 1004 P CB 0.333 32.084 31.700 0.084 0.000 1.066 1005 N N -3.292 115.502 118.700 0.157 0.000 2.754 1005 N HA -0.152 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.007 175.598 175.510 0.135 0.000 1.093 1005 N CA 0.112 53.242 53.050 0.135 0.000 0.699 1005 N CB -2.071 36.485 38.487 0.115 0.000 1.016 1005 N HN 0.255 nan 8.380 nan 0.000 0.552 1006 V N -0.077 119.875 119.914 0.064 0.000 2.585 1006 V HA 0.374 4.493 4.120 -0.001 0.000 0.296 1006 V C 1.200 177.198 176.094 -0.161 0.000 1.035 1006 V CA 1.139 63.308 62.300 -0.218 0.000 1.084 1006 V CB 1.182 32.774 31.823 -0.385 0.000 0.953 1006 V HN 0.445 nan 8.190 nan 0.000 0.483 1007 A N 6.994 129.695 122.820 -0.198 0.000 2.211 1007 A HA 0.483 4.803 4.320 -0.001 0.000 0.208 1007 A C 0.951 178.498 177.584 -0.062 0.000 1.250 1007 A CA 0.016 51.998 52.037 -0.092 0.000 0.935 1007 A CB 0.264 19.226 19.000 -0.063 0.000 0.982 1007 A HN 0.767 nan 8.150 nan 0.000 0.490 1008 R N -1.584 118.853 120.500 -0.106 0.000 2.634 1008 R HA 0.481 4.820 4.340 -0.001 0.000 0.263 1008 R C -2.312 173.963 176.300 -0.043 0.000 1.060 1008 R CA -0.329 55.771 56.100 0.000 0.000 0.898 1008 R CB 1.538 31.850 30.300 0.021 0.000 1.253 1008 R HN 0.304 nan 8.270 nan 0.000 0.461 1009 c N 3.080 121.702 118.600 0.037 0.000 2.481 1009 c HA 0.625 5.194 4.570 -0.001 0.000 0.324 1009 c C -1.223 172.954 174.090 0.146 0.000 1.170 1009 c CA -0.335 56.019 56.329 0.042 0.000 1.361 1009 c CB 1.352 43.843 42.510 -0.032 0.000 1.977 1009 c HN 0.771 nan 8.230 nan 0.000 0.459 1010 E N 3.392 123.704 120.200 0.188 0.000 2.238 1010 E HA 0.379 4.728 4.350 -0.001 0.000 0.267 1010 E C -0.824 175.954 176.600 0.297 0.000 0.887 1010 E CA -0.575 55.955 56.400 0.216 0.000 0.769 1010 E CB 2.222 32.015 29.700 0.155 0.000 1.187 1010 E HN 0.712 nan 8.360 nan 0.000 0.416 1011 R N 1.002 121.656 120.500 0.257 0.000 2.390 1011 R HA 0.303 4.643 4.340 -0.001 0.000 0.291 1011 R C -0.113 176.220 176.300 0.055 0.000 1.070 1011 R CA 0.105 56.277 56.100 0.120 0.000 1.014 1011 R CB 0.565 30.908 30.300 0.071 0.000 1.007 1011 R HN 0.651 nan 8.270 nan 0.000 0.466 1012 T N -0.270 114.291 114.554 0.012 0.000 2.907 1012 T HA 0.350 4.700 4.350 -0.001 0.000 0.290 1012 T C 0.154 174.839 174.700 -0.025 0.000 1.066 1012 T CA -0.788 61.340 62.100 0.046 0.000 1.012 1012 T CB 1.408 70.374 68.868 0.163 0.000 1.184 1012 T HN 0.619 nan 8.240 nan 0.000 0.522 1013 T N 0.159 114.701 114.554 -0.020 0.000 2.791 1013 T HA 0.181 4.530 4.350 -0.001 0.000 0.323 1013 T C 1.578 176.199 174.700 -0.133 0.000 1.082 1013 T CA -0.646 61.420 62.100 -0.057 0.000 1.084 1013 T CB -0.079 68.773 68.868 -0.027 0.000 0.992 1013 T HN 0.566 nan 8.240 nan 0.000 0.547 1014 L N 1.088 122.217 121.223 -0.157 0.000 2.362 1014 L HA -0.023 4.316 4.340 -0.001 0.000 0.219 1014 L C 2.828 179.409 176.870 -0.481 0.000 1.134 1014 L CA 1.356 56.034 54.840 -0.270 0.000 0.807 1014 L CB -1.008 40.979 42.059 -0.121 0.000 0.927 1014 L HN 0.983 nan 8.230 nan 0.000 0.447 1015 T N -4.914 109.464 114.554 -0.293 0.000 3.129 1015 T HA 0.013 4.363 4.350 -0.001 0.000 0.251 1015 T C 0.745 175.349 174.700 -0.160 0.000 1.117 1015 T CA -0.219 61.745 62.100 -0.227 0.000 1.034 1015 T CB -0.138 68.715 68.868 -0.024 0.000 0.968 1015 T HN 0.202 nan 8.240 nan 0.000 0.526 1016 F N -0.827 119.136 119.950 0.022 0.000 2.794 1016 F HA -0.191 4.336 4.527 -0.001 0.000 0.335 1016 F C 1.019 176.820 175.800 0.001 0.000 0.653 1016 F CA -0.073 57.932 58.000 0.009 0.000 1.266 1016 F CB -2.319 36.681 39.000 0.001 0.000 1.666 1016 F HN 0.244 nan 8.300 nan 0.000 0.314 1017 L N -0.863 120.430 121.223 0.118 0.000 2.509 1017 L HA 0.099 4.438 4.340 -0.001 0.000 0.222 1017 L C 1.065 177.957 176.870 0.037 0.000 1.123 1017 L CA 0.874 55.755 54.840 0.069 0.000 0.856 1017 L CB 0.159 42.243 42.059 0.041 0.000 0.985 1017 L HN 0.345 nan 8.230 nan 0.000 0.456 1018 Q N 0.463 120.285 119.800 0.037 0.000 2.305 1018 Q HA 0.269 4.609 4.340 -0.001 0.000 0.271 1018 Q C -1.203 174.816 176.000 0.031 0.000 1.046 1018 Q CA -0.713 55.100 55.803 0.018 0.000 0.798 1018 Q CB 1.922 30.657 28.738 -0.005 0.000 1.286 1018 Q HN 0.079 nan 8.270 nan 0.000 0.435 1019 N N 4.377 123.094 118.700 0.028 0.000 2.470 1019 N HA 0.181 4.921 4.740 -0.001 0.000 0.268 1019 N C 0.334 175.862 175.510 0.030 0.000 1.136 1019 N CA 0.224 53.297 53.050 0.040 0.000 0.961 1019 N CB 1.071 39.578 38.487 0.033 0.000 1.067 1019 N HN 0.636 nan 8.380 nan 0.000 0.468 1020 L N 0.499 121.744 121.223 0.038 0.000 2.537 1020 L HA 0.299 4.638 4.340 -0.001 0.000 0.224 1020 L C 0.610 177.508 176.870 0.047 0.000 1.065 1020 L CA 0.420 55.276 54.840 0.028 0.000 0.860 1020 L CB 0.321 42.386 42.059 0.009 0.000 1.086 1020 L HN 0.518 nan 8.230 nan 0.000 0.482 1021 E N -0.354 119.893 120.200 0.079 0.000 2.347 1021 E HA 0.118 4.468 4.350 -0.001 0.000 0.285 1021 E C -1.315 175.383 176.600 0.164 0.000 0.925 1021 E CA -0.516 55.947 56.400 0.105 0.000 0.779 1021 E CB 1.450 31.205 29.700 0.093 0.000 1.233 1021 E HN 0.100 nan 8.360 nan 0.000 0.414 1022 H N 6.134 125.230 119.070 0.043 0.000 2.668 1022 H HA 0.303 4.859 4.556 -0.001 0.000 0.303 1022 H C -0.725 174.627 175.328 0.041 0.000 1.074 1022 H CA -0.495 55.576 56.048 0.038 0.000 1.406 1022 H CB 0.657 30.431 29.762 0.021 0.000 1.442 1022 H HN 0.389 nan 8.280 nan 0.000 0.482 1023 L N 5.439 126.584 121.223 -0.129 0.000 2.276 1023 L HA 0.102 4.441 4.340 -0.001 0.000 0.286 1023 L C 0.181 176.901 176.870 -0.251 0.000 1.061 1023 L CA -0.828 53.936 54.840 -0.128 0.000 0.807 1023 L CB 1.043 43.092 42.059 -0.016 0.000 1.177 1023 L HN 0.647 nan 8.230 nan 0.000 0.429 1024 D N 2.869 123.165 120.400 -0.173 0.000 2.458 1024 D HA 0.144 4.783 4.640 -0.001 0.000 0.243 1024 D C 1.176 177.423 176.300 -0.088 0.000 1.146 1024 D CA 1.179 55.094 54.000 -0.141 0.000 0.877 1024 D CB 1.287 42.038 40.800 -0.082 0.000 1.176 1024 D HN 0.843 nan 8.370 nan 0.000 0.461 1025 G N 2.928 111.686 108.800 -0.070 0.000 2.168 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.263 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.263 1025 G C 0.799 175.722 174.900 0.038 0.000 0.977 1025 G CA 0.395 45.487 45.100 -0.014 0.000 0.659 1025 G HN 0.630 nan 8.290 nan 0.000 0.533 1026 M N -2.463 117.126 119.600 -0.018 0.000 2.576 1026 M HA -0.189 4.291 4.480 -0.001 0.000 0.200 1026 M C 0.063 176.392 176.300 0.048 0.000 0.487 1026 M CA 0.924 56.215 55.300 -0.014 0.000 0.553 1026 M CB -1.755 30.815 32.600 -0.049 0.000 2.042 1026 M HN 0.249 nan 8.290 nan 0.000 0.758 1027 V N 0.748 120.673 119.914 0.018 0.000 2.384 1027 V HA 0.728 4.847 4.120 -0.001 0.000 0.287 1027 V C 0.565 176.581 176.094 -0.131 0.000 1.020 1027 V CA -0.357 61.942 62.300 -0.003 0.000 0.850 1027 V CB 1.786 33.599 31.823 -0.017 0.000 0.987 1027 V HN 0.372 nan 8.190 nan 0.000 0.436 1028 A N 7.989 130.650 122.820 -0.265 0.000 2.279 1028 A HA 0.749 5.068 4.320 -0.001 0.000 0.306 1028 A C -2.459 174.849 177.584 -0.460 0.000 1.300 1028 A CA -1.404 50.246 52.037 -0.644 0.000 0.925 1028 A CB 0.084 18.432 19.000 -1.086 0.000 1.152 1028 A HN 0.625 nan 8.150 nan 0.000 0.544 1029 P HA 0.213 nan 4.420 nan 0.000 0.275 1029 P C -0.159 177.133 177.300 -0.014 0.000 1.228 1029 P CA -0.247 62.803 63.100 -0.082 0.000 0.786 1029 P CB 0.595 32.304 31.700 0.015 0.000 0.927 1030 E N 0.167 120.368 120.200 0.002 0.000 2.408 1030 E HA 0.196 4.545 4.350 -0.001 0.000 0.259 1030 E C 0.197 176.844 176.600 0.078 0.000 1.110 1030 E CA -0.621 55.808 56.400 0.047 0.000 0.929 1030 E CB 0.448 30.158 29.700 0.016 0.000 0.971 1030 E HN 0.300 nan 8.360 nan 0.000 0.438 1031 V N -0.950 119.013 119.914 0.083 0.000 2.973 1031 V HA 0.317 4.437 4.120 -0.001 0.000 0.314 1031 V C 0.212 176.307 176.094 0.002 0.000 1.066 1031 V CA -1.104 61.233 62.300 0.061 0.000 1.021 1031 V CB 1.215 33.078 31.823 0.068 0.000 1.076 1031 V HN 0.734 nan 8.190 nan 0.000 0.462 1032 c N 2.598 121.194 118.600 -0.007 0.000 2.595 1032 c HA 0.433 5.003 4.570 -0.001 0.000 0.384 1032 c C -2.074 171.961 174.090 -0.091 0.000 1.289 1032 c CA -0.339 55.968 56.329 -0.037 0.000 2.372 1032 c CB 0.000 42.505 42.510 -0.009 0.000 2.593 1032 c HN 0.816 nan 8.230 nan 0.000 0.639 1033 P HA 0.038 nan 4.420 nan 0.000 0.264 1033 P C 0.251 177.403 177.300 -0.248 0.000 1.183 1033 P CA 0.942 63.909 63.100 -0.221 0.000 0.763 1033 P CB 0.175 31.724 31.700 -0.252 0.000 0.807 1034 M N -1.100 118.306 119.600 -0.323 0.000 2.939 1034 M HA -0.181 4.298 4.480 -0.001 0.000 0.194 1034 M C -0.161 176.152 176.300 0.023 0.000 0.617 1034 M CA 1.364 56.472 55.300 -0.320 0.000 0.734 1034 M CB -2.095 30.008 32.600 -0.828 0.000 2.637 1034 M HN 0.417 nan 8.290 nan 0.000 0.316 1035 E N 0.380 120.574 120.200 -0.010 0.000 2.227 1035 E HA 0.706 5.055 4.350 -0.001 0.000 0.268 1035 E C 0.049 176.709 176.600 0.100 0.000 0.990 1035 E CA -0.131 56.330 56.400 0.101 0.000 0.856 1035 E CB 1.523 31.250 29.700 0.045 0.000 1.159 1035 E HN 0.131 nan 8.360 nan 0.000 0.401 1036 T N 0.612 115.242 114.554 0.127 0.000 2.881 1036 T HA 0.679 5.029 4.350 -0.001 0.000 0.290 1036 T C -0.845 173.865 174.700 0.017 0.000 1.000 1036 T CA -0.651 61.535 62.100 0.144 0.000 0.978 1036 T CB 1.574 70.543 68.868 0.168 0.000 0.997 1036 T HN 0.516 nan 8.240 nan 0.000 0.443 1037 A N 1.948 124.779 122.820 0.018 0.000 2.469 1037 A HA 0.997 5.317 4.320 -0.001 0.000 0.299 1037 A C -0.979 176.501 177.584 -0.173 0.000 1.098 1037 A CA -0.940 51.012 52.037 -0.141 0.000 0.737 1037 A CB 1.525 20.396 19.000 -0.215 0.000 1.312 1037 A HN 1.102 nan 8.150 nan 0.000 0.414 1038 A N 0.278 122.908 122.820 -0.316 0.000 2.365 1038 A HA 0.828 5.148 4.320 -0.001 0.000 0.318 1038 A C -1.589 175.806 177.584 -0.315 0.000 1.091 1038 A CA -0.352 51.606 52.037 -0.133 0.000 0.763 1038 A CB 0.754 19.710 19.000 -0.073 0.000 1.248 1038 A HN 0.853 nan 8.150 nan 0.000 0.442 1039 Y N 0.045 120.558 120.300 0.355 0.000 2.512 1039 Y HA 0.571 5.121 4.550 -0.001 0.000 0.348 1039 Y C -0.276 175.800 175.900 0.292 0.000 0.990 1039 Y CA -0.900 57.366 58.100 0.277 0.000 1.033 1039 Y CB 2.484 41.068 38.460 0.205 0.000 1.259 1039 Y HN 0.416 nan 8.280 nan 0.000 0.461 1040 V N 2.381 122.497 119.914 0.337 0.000 2.487 1040 V HA 0.504 4.623 4.120 -0.001 0.000 0.298 1040 V C -0.625 175.555 176.094 0.144 0.000 1.028 1040 V CA -0.940 61.453 62.300 0.156 0.000 0.860 1040 V CB 1.754 33.603 31.823 0.042 0.000 0.991 1040 V HN 0.829 nan 8.190 nan 0.000 0.427 1041 S N 3.415 119.203 115.700 0.148 0.000 2.508 1041 S HA 0.717 5.186 4.470 -0.001 0.000 0.284 1041 S C -0.228 174.297 174.600 -0.124 0.000 1.192 1041 S CA -0.583 57.628 58.200 0.018 0.000 1.070 1041 S CB 1.584 64.880 63.200 0.159 0.000 1.004 1041 S HN 0.564 nan 8.310 nan 0.000 0.493 1042 S N 2.430 117.932 115.700 -0.330 0.000 2.501 1042 S HA 0.530 5.000 4.470 -0.001 0.000 0.301 1042 S C -0.907 173.353 174.600 -0.566 0.000 1.096 1042 S CA -0.770 57.268 58.200 -0.271 0.000 1.063 1042 S CB 0.516 63.639 63.200 -0.128 0.000 1.042 1042 S HN 0.786 nan 8.310 nan 0.000 0.494 1043 H N 0.919 119.979 119.070 -0.017 0.000 2.667 1043 H HA 0.277 4.832 4.556 -0.001 0.000 0.353 1043 H C 0.332 175.655 175.328 -0.008 0.000 1.072 1043 H CA -0.527 55.513 56.048 -0.013 0.000 1.214 1043 H CB 1.851 31.607 29.762 -0.009 0.000 1.600 1043 H HN 0.672 nan 8.280 nan 0.000 0.527 1044 S N 1.076 116.824 115.700 0.080 0.000 2.524 1044 S HA 0.192 4.661 4.470 -0.001 0.000 0.216 1044 S C 0.590 175.222 174.600 0.053 0.000 0.987 1044 S CA -0.051 58.176 58.200 0.046 0.000 0.909 1044 S CB 0.501 63.715 63.200 0.024 0.000 0.781 1044 S HN 0.375 nan 8.310 nan 0.000 0.521 1045 S N 0.000 115.744 115.700 0.074 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.232 58.200 0.053 0.000 1.107 1045 S CB 0.000 63.225 63.200 0.042 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517