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 1tf4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPAFNYAEAL QKSMFFYEAQ RSGKLPENNR VSWRGDSGLN DGADVGLDLT DATA SEQUENCE GGWYDAGDHV KFGFPMAFTA TMLAWGAIES PEGYIRSGQM PYLKDNLRWV DATA SEQUENCE NDYFIKAHPS PNVLYVQVGD GDADHKWWGP AEVMPMERPS FKVDPScPGS DATA SEQUENCE DVAAETAAAM AASSIVFADD DPAYAATLVQ HAKQLYTFAD TYRGVYSDcV DATA SEQUENCE PAGAFYNSWS GYQDELVWGA YWLYKATGDD SYLAKAEYEY DFLSTEQQTD DATA SEQUENCE LRSYRWTIAW DDKSYGTYVL LAKETGKQKY IDDANRWLDY WTVGVNGQRV DATA SEQUENCE PYSPGGMAVL DTWGALRYAA NTAFVALVYA KVIDDPVRKQ RYHDFAVRQI DATA SEQUENCE NYALGDNPRN SSYVVGFGNN PPRNPHHRTA HGSWTDSIAS PAENRHVLYG DATA SEQUENCE ALVGGPGSPN DAYTDDRQDY VANEVATDYN AGFSSALAML VEEYGGTPLA DATA SEQUENCE DFPPTEEPDG PEIFVEAQIN TPGTTFTEIK AMIRNQSGWP ARMLDKGTFR DATA SEQUENCE YWFTLDEGVD PADITVSSAY NQcATPEDVH HVSGDLYYVE IDcTGEKIFP DATA SEQUENCE GGQSEHRREV QFRIAGGPGW DPSNDWSFQG IGNELAPAPY IVLYDDGVPV DATA SEQUENCE WGTAP 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.626 176.600 0.043 0.000 1.382 1 E CA 0.000 56.439 56.400 0.064 0.000 0.976 1 E CB 0.000 29.716 29.700 0.026 0.000 0.812 2 P HA 0.151 nan 4.420 nan 0.000 0.267 2 P C 0.083 177.252 177.300 -0.219 0.000 1.209 2 P CA 0.314 63.391 63.100 -0.038 0.000 0.763 2 P CB 0.762 32.438 31.700 -0.040 0.000 0.816 3 A N 3.662 126.316 122.820 -0.277 0.000 1.972 3 A HA -0.001 4.318 4.320 -0.001 0.000 0.219 3 A C 0.563 177.607 177.584 -0.899 0.000 1.169 3 A CA 1.041 52.783 52.037 -0.491 0.000 0.635 3 A CB -0.569 18.214 19.000 -0.361 0.000 0.810 3 A HN 0.543 nan 8.150 nan 0.000 0.446 4 F N -2.254 117.444 119.950 -0.420 0.000 2.599 4 F HA 0.381 4.908 4.527 -0.001 0.000 0.311 4 F C -0.014 175.432 175.800 -0.589 0.000 1.076 4 F CA -1.373 56.399 58.000 -0.380 0.000 0.937 4 F CB 1.066 39.919 39.000 -0.246 0.000 1.282 4 F HN -0.089 nan 8.300 nan 0.000 0.460 5 N N 1.570 120.255 118.700 -0.025 0.000 2.605 5 N HA 0.030 4.769 4.740 -0.001 0.000 0.258 5 N C 0.446 175.935 175.510 -0.034 0.000 1.156 5 N CA 0.219 53.247 53.050 -0.037 0.000 1.008 5 N CB -0.153 38.388 38.487 0.091 0.000 1.354 5 N HN 0.466 nan 8.380 nan 0.000 0.509 6 Y N 1.639 121.986 120.300 0.078 0.000 2.274 6 Y HA -0.114 4.435 4.550 -0.001 0.000 0.290 6 Y C 2.221 178.054 175.900 -0.111 0.000 1.145 6 Y CA 1.207 59.275 58.100 -0.054 0.000 1.203 6 Y CB -0.625 37.815 38.460 -0.033 0.000 0.984 6 Y HN 0.605 nan 8.280 nan 0.000 0.533 7 A N -0.014 122.854 122.820 0.081 0.000 1.898 7 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 7 A C 2.246 179.810 177.584 -0.034 0.000 1.181 7 A CA 1.677 53.724 52.037 0.016 0.000 0.620 7 A CB -0.638 18.385 19.000 0.038 0.000 0.819 7 A HN 0.508 nan 8.150 nan 0.000 0.442 8 E N -0.022 120.169 120.200 -0.015 0.000 2.072 8 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 8 E C 2.148 178.656 176.600 -0.153 0.000 0.985 8 E CA 0.961 57.334 56.400 -0.045 0.000 0.801 8 E CB -0.245 29.527 29.700 0.120 0.000 0.750 8 E HN 0.510 nan 8.360 nan 0.000 0.452 9 A N 1.231 123.871 122.820 -0.301 0.000 1.908 9 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 9 A C 2.142 179.568 177.584 -0.262 0.000 1.181 9 A CA 1.360 53.058 52.037 -0.566 0.000 0.627 9 A CB -0.672 17.855 19.000 -0.789 0.000 0.818 9 A HN 0.386 nan 8.150 nan 0.000 0.445 10 L N -0.139 120.961 121.223 -0.204 0.000 2.056 10 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 10 L C 2.522 179.381 176.870 -0.018 0.000 1.078 10 L CA 2.589 57.350 54.840 -0.131 0.000 0.749 10 L CB -0.798 41.149 42.059 -0.186 0.000 0.901 10 L HN 0.626 nan 8.230 nan 0.000 0.433 11 Q N -0.497 119.266 119.800 -0.061 0.000 2.096 11 Q HA -0.268 4.071 4.340 -0.001 0.000 0.204 11 Q C 2.106 178.072 176.000 -0.057 0.000 0.982 11 Q CA 2.044 57.813 55.803 -0.056 0.000 0.850 11 Q CB -0.034 28.595 28.738 -0.182 0.000 0.901 11 Q HN 0.534 nan 8.270 nan 0.000 0.422 12 K N -0.370 119.935 120.400 -0.158 0.000 2.217 12 K HA -0.040 4.279 4.320 -0.001 0.000 0.202 12 K C 2.248 179.016 176.600 0.281 0.000 1.051 12 K CA 0.948 57.242 56.287 0.011 0.000 0.952 12 K CB -0.061 32.412 32.500 -0.045 0.000 0.736 12 K HN 0.056 nan 8.250 nan 0.000 0.453 13 S N 0.634 116.459 115.700 0.210 0.000 2.382 13 S HA -0.091 4.379 4.470 -0.001 0.000 0.228 13 S C 1.915 176.781 174.600 0.444 0.000 1.027 13 S CA 0.963 59.350 58.200 0.311 0.000 0.991 13 S CB 0.006 63.368 63.200 0.270 0.000 0.823 13 S HN 0.136 nan 8.310 nan 0.000 0.469 14 M N 0.131 119.961 119.600 0.385 0.000 2.229 14 M HA 0.020 4.499 4.480 -0.001 0.000 0.264 14 M C 1.880 178.379 176.300 0.331 0.000 1.063 14 M CA 1.084 56.618 55.300 0.389 0.000 1.114 14 M CB -1.452 31.343 32.600 0.324 0.000 1.387 14 M HN 0.517 nan 8.290 nan 0.000 0.420 15 F N 0.592 120.668 119.950 0.211 0.000 2.186 15 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 15 F C 2.199 178.072 175.800 0.121 0.000 1.090 15 F CA 1.056 59.152 58.000 0.160 0.000 1.307 15 F CB -0.409 38.795 39.000 0.340 0.000 1.019 15 F HN 0.059 nan 8.300 nan 0.000 0.489 16 F N 0.222 120.285 119.950 0.189 0.000 2.095 16 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 16 F C 1.855 177.460 175.800 -0.324 0.000 1.104 16 F CA 1.808 59.772 58.000 -0.060 0.000 1.232 16 F CB -1.204 37.728 39.000 -0.114 0.000 0.987 16 F HN 0.018 nan 8.300 nan 0.000 0.475 17 Y N 0.602 120.645 120.300 -0.428 0.000 2.274 17 Y HA -0.176 4.373 4.550 -0.001 0.000 0.290 17 Y C 2.624 178.134 175.900 -0.649 0.000 1.145 17 Y CA 1.817 59.470 58.100 -0.745 0.000 1.203 17 Y CB -0.846 37.294 38.460 -0.532 0.000 0.984 17 Y HN 0.264 nan 8.280 nan 0.000 0.533 18 E N -0.156 119.826 120.200 -0.363 0.000 2.150 18 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 18 E C 2.186 178.410 176.600 -0.627 0.000 0.985 18 E CA 0.757 56.875 56.400 -0.470 0.000 0.814 18 E CB -0.122 29.310 29.700 -0.447 0.000 0.752 18 E HN 0.407 nan 8.360 nan 0.000 0.466 19 A N 0.346 122.734 122.820 -0.721 0.000 2.119 19 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 19 A C 1.812 179.140 177.584 -0.426 0.000 1.153 19 A CA 0.595 52.218 52.037 -0.690 0.000 0.692 19 A CB 0.022 18.652 19.000 -0.617 0.000 0.799 19 A HN 0.167 nan 8.150 nan 0.000 0.458 20 Q N 0.001 119.512 119.800 -0.483 0.000 2.360 20 Q HA 0.107 4.446 4.340 -0.001 0.000 0.202 20 Q C 0.090 176.021 176.000 -0.116 0.000 0.915 20 Q CA 0.090 55.733 55.803 -0.267 0.000 0.943 20 Q CB 0.105 28.512 28.738 -0.551 0.000 1.064 20 Q HN 0.616 nan 8.270 nan 0.000 0.511 21 R N 0.472 120.835 120.500 -0.229 0.000 2.623 21 R HA 0.186 4.526 4.340 -0.001 0.000 0.271 21 R C 0.231 176.397 176.300 -0.223 0.000 1.043 21 R CA 0.292 56.252 56.100 -0.233 0.000 1.083 21 R CB 0.549 30.440 30.300 -0.681 0.000 0.974 21 R HN -0.095 nan 8.270 nan 0.000 0.436 22 S N 0.284 115.869 115.700 -0.191 0.000 2.638 22 S HA 0.778 5.248 4.470 -0.001 0.000 0.302 22 S C -0.164 174.473 174.600 0.062 0.000 1.096 22 S CA 0.319 58.323 58.200 -0.327 0.000 0.953 22 S CB 1.667 64.367 63.200 -0.834 0.000 1.107 22 S HN 0.927 nan 8.310 nan 0.000 0.503 23 G N 2.442 111.270 108.800 0.047 0.000 2.627 23 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.214 23 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.214 23 G C -0.853 174.121 174.900 0.123 0.000 1.331 23 G CA -0.348 44.798 45.100 0.077 0.000 0.891 23 G HN 0.839 nan 8.290 nan 0.000 0.539 24 K N 0.359 120.823 120.400 0.107 0.000 2.316 24 K HA 0.492 4.811 4.320 -0.001 0.000 0.289 24 K C 0.814 177.539 176.600 0.207 0.000 1.070 24 K CA -0.417 55.932 56.287 0.104 0.000 0.928 24 K CB -0.032 32.497 32.500 0.049 0.000 1.039 24 K HN 0.438 nan 8.250 nan 0.000 0.480 25 L N 5.988 127.288 121.223 0.128 0.000 2.436 25 L HA 0.308 4.647 4.340 -0.001 0.000 0.265 25 L C -1.809 175.110 176.870 0.082 0.000 1.168 25 L CA -2.109 52.782 54.840 0.084 0.000 0.815 25 L CB 0.384 42.406 42.059 -0.061 0.000 1.109 25 L HN 0.573 nan 8.230 nan 0.000 0.462 26 P HA 0.124 nan 4.420 nan 0.000 0.276 26 P C 0.294 177.608 177.300 0.023 0.000 1.261 26 P CA -0.571 62.570 63.100 0.068 0.000 0.800 26 P CB 0.657 32.409 31.700 0.087 0.000 1.066 27 E N 1.010 121.225 120.200 0.026 0.000 2.110 27 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 27 E C 1.067 177.675 176.600 0.013 0.000 0.988 27 E CA 1.415 57.826 56.400 0.018 0.000 0.804 27 E CB -0.574 29.138 29.700 0.020 0.000 0.745 27 E HN 0.540 nan 8.360 nan 0.000 0.458 28 N N 1.524 120.234 118.700 0.018 0.000 2.515 28 N HA -0.116 4.624 4.740 -0.001 0.000 0.191 28 N C 0.263 175.774 175.510 0.002 0.000 1.182 28 N CA 0.023 53.086 53.050 0.022 0.000 0.879 28 N CB -0.702 37.810 38.487 0.042 0.000 0.984 28 N HN -0.083 nan 8.380 nan 0.000 0.453 29 N N 1.508 120.187 118.700 -0.035 0.000 2.301 29 N HA -0.085 4.654 4.740 -0.001 0.000 0.267 29 N C 0.584 176.043 175.510 -0.086 0.000 1.304 29 N CA 0.286 53.278 53.050 -0.097 0.000 0.851 29 N CB 0.499 38.912 38.487 -0.123 0.000 1.070 29 N HN 0.246 nan 8.380 nan 0.000 0.483 30 R N 2.065 122.497 120.500 -0.114 0.000 2.210 30 R HA 0.103 4.443 4.340 -0.001 0.000 0.203 30 R C -0.071 176.190 176.300 -0.065 0.000 1.010 30 R CA 0.329 56.392 56.100 -0.061 0.000 1.008 30 R CB 0.369 30.655 30.300 -0.022 0.000 0.923 30 R HN 0.321 nan 8.270 nan 0.000 0.469 31 V N 2.551 122.294 119.914 -0.285 0.000 2.322 31 V HA 0.003 4.122 4.120 -0.001 0.000 0.258 31 V C 1.345 177.217 176.094 -0.369 0.000 1.074 31 V CA -0.009 62.015 62.300 -0.460 0.000 0.909 31 V CB 1.013 32.246 31.823 -0.982 0.000 1.090 31 V HN 0.268 nan 8.190 nan 0.000 0.486 32 S N 4.044 119.685 115.700 -0.098 0.000 2.442 32 S HA -0.143 4.326 4.470 -0.001 0.000 0.236 32 S C 1.218 175.875 174.600 0.095 0.000 1.007 32 S CA 0.823 59.057 58.200 0.056 0.000 0.965 32 S CB -0.251 63.080 63.200 0.219 0.000 0.773 32 S HN 0.925 nan 8.310 nan 0.000 0.504 33 W N 1.082 122.338 121.300 -0.073 0.000 3.388 33 W HA 0.500 5.160 4.660 -0.001 0.000 0.324 33 W C -0.199 176.154 176.519 -0.277 0.000 1.250 33 W CA -0.910 56.235 57.345 -0.334 0.000 1.809 33 W CB -0.492 28.354 29.460 -1.024 0.000 1.083 33 W HN 0.019 nan 8.180 nan 0.000 0.685 34 R N 1.007 121.305 120.500 -0.336 0.000 2.562 34 R HA 0.621 4.961 4.340 -0.001 0.000 0.298 34 R C 0.171 176.384 176.300 -0.144 0.000 0.961 34 R CA -0.254 55.675 56.100 -0.284 0.000 0.881 34 R CB 1.725 31.726 30.300 -0.497 0.000 1.159 34 R HN 0.104 nan 8.270 nan 0.000 0.450 35 G N 0.487 109.249 108.800 -0.064 0.000 3.105 35 G HA2 0.329 4.289 3.960 -0.001 0.000 0.277 35 G HA3 0.329 4.289 3.960 -0.001 0.000 0.277 35 G C -1.055 173.839 174.900 -0.010 0.000 1.375 35 G CA -0.549 44.537 45.100 -0.024 0.000 0.962 35 G HN 0.346 nan 8.290 nan 0.000 0.541 36 D N 0.502 120.907 120.400 0.009 0.000 2.443 36 D HA 0.427 5.066 4.640 -0.001 0.000 0.239 36 D C 0.570 176.885 176.300 0.025 0.000 1.136 36 D CA 0.690 54.703 54.000 0.022 0.000 0.879 36 D CB 1.331 42.144 40.800 0.020 0.000 1.195 36 D HN 0.558 nan 8.370 nan 0.000 0.443 37 S N -1.322 114.405 115.700 0.045 0.000 2.588 37 S HA 0.584 5.053 4.470 -0.001 0.000 0.269 37 S C 0.558 175.201 174.600 0.071 0.000 1.157 37 S CA -0.428 57.802 58.200 0.051 0.000 0.824 37 S CB 1.596 64.852 63.200 0.093 0.000 1.126 37 S HN 0.760 nan 8.310 nan 0.000 0.464 38 G N 0.460 109.293 108.800 0.055 0.000 2.341 38 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.292 38 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.292 38 G C 0.483 175.389 174.900 0.010 0.000 1.021 38 G CA 0.573 45.705 45.100 0.052 0.000 0.905 38 G HN 0.962 nan 8.290 nan 0.000 0.508 39 L N -1.482 119.736 121.223 -0.009 0.000 2.362 39 L HA 0.022 4.361 4.340 -0.001 0.000 0.219 39 L C 1.945 178.793 176.870 -0.037 0.000 1.134 39 L CA 1.447 56.274 54.840 -0.021 0.000 0.807 39 L CB -0.116 41.929 42.059 -0.023 0.000 0.927 39 L HN 0.347 nan 8.230 nan 0.000 0.447 40 N N -1.131 117.543 118.700 -0.043 0.000 2.273 40 N HA 0.046 4.785 4.740 -0.001 0.000 0.231 40 N C -0.720 174.755 175.510 -0.059 0.000 1.134 40 N CA -0.278 52.739 53.050 -0.055 0.000 0.856 40 N CB 0.383 38.833 38.487 -0.062 0.000 1.068 40 N HN 0.066 nan 8.380 nan 0.000 0.510 41 D N 0.143 120.516 120.400 -0.045 0.000 2.401 41 D HA 0.250 4.889 4.640 -0.001 0.000 0.254 41 D C 1.454 177.706 176.300 -0.080 0.000 1.192 41 D CA 0.901 54.875 54.000 -0.043 0.000 0.885 41 D CB 0.860 41.659 40.800 -0.003 0.000 1.147 41 D HN 0.355 nan 8.370 nan 0.000 0.478 42 G N 1.930 110.659 108.800 -0.118 0.000 2.213 42 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.236 42 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.236 42 G C 1.290 176.089 174.900 -0.169 0.000 0.991 42 G CA 0.609 45.593 45.100 -0.193 0.000 0.629 42 G HN 0.680 nan 8.290 nan 0.000 0.517 43 A N 1.640 124.387 122.820 -0.121 0.000 1.948 43 A HA -0.047 4.272 4.320 -0.001 0.000 0.220 43 A C 2.107 179.630 177.584 -0.100 0.000 1.177 43 A CA 2.500 54.476 52.037 -0.101 0.000 0.636 43 A CB -0.598 18.353 19.000 -0.081 0.000 0.815 43 A HN 1.010 nan 8.150 nan 0.000 0.449 44 D N 0.162 120.498 120.400 -0.108 0.000 2.309 44 D HA -0.113 4.526 4.640 -0.001 0.000 0.212 44 D C 1.220 177.464 176.300 -0.094 0.000 0.968 44 D CA 1.762 55.703 54.000 -0.099 0.000 0.882 44 D CB -0.604 40.128 40.800 -0.113 0.000 0.918 44 D HN 0.663 nan 8.370 nan 0.000 0.503 45 V N -4.643 115.199 119.914 -0.119 0.000 3.159 45 V HA 0.600 4.719 4.120 -0.001 0.000 0.333 45 V C 1.319 177.349 176.094 -0.107 0.000 1.424 45 V CA -0.011 62.230 62.300 -0.098 0.000 1.125 45 V CB -0.129 31.634 31.823 -0.101 0.000 1.075 45 V HN 0.243 nan 8.190 nan 0.000 0.482 46 G N 1.055 109.792 108.800 -0.106 0.000 2.179 46 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.257 46 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.257 46 G C -0.174 174.656 174.900 -0.118 0.000 1.010 46 G CA 1.000 46.043 45.100 -0.095 0.000 0.736 46 G HN 0.615 nan 8.290 nan 0.000 0.513 47 L N -0.601 120.519 121.223 -0.171 0.000 2.323 47 L HA 0.560 4.899 4.340 -0.001 0.000 0.265 47 L C -0.472 176.289 176.870 -0.181 0.000 1.012 47 L CA -1.132 53.590 54.840 -0.196 0.000 0.820 47 L CB 1.813 43.685 42.059 -0.313 0.000 1.334 47 L HN 0.097 nan 8.230 nan 0.000 0.427 48 D N 2.163 122.470 120.400 -0.156 0.000 2.411 48 D HA 0.278 4.917 4.640 -0.001 0.000 0.225 48 D C -0.184 176.031 176.300 -0.141 0.000 1.156 48 D CA 0.040 53.962 54.000 -0.129 0.000 0.874 48 D CB 0.614 41.349 40.800 -0.108 0.000 1.034 48 D HN 0.336 nan 8.370 nan 0.000 0.502 49 L N 3.674 124.824 121.223 -0.120 0.000 3.141 49 L HA 0.183 4.522 4.340 -0.001 0.000 0.267 49 L C 0.731 177.651 176.870 0.084 0.000 1.281 49 L CA -0.419 54.387 54.840 -0.057 0.000 1.037 49 L CB 0.102 42.102 42.059 -0.099 0.000 1.407 49 L HN 0.381 nan 8.230 nan 0.000 0.566 50 T N -2.273 112.282 114.554 0.003 0.000 2.904 50 T HA 0.709 5.058 4.350 -0.001 0.000 0.290 50 T C 0.626 175.298 174.700 -0.046 0.000 1.018 50 T CA 0.322 62.411 62.100 -0.019 0.000 1.075 50 T CB 2.189 71.025 68.868 -0.053 0.000 0.986 50 T HN 0.449 nan 8.240 nan 0.000 0.523 51 G N -0.030 108.691 108.800 -0.131 0.000 2.447 51 G HA2 0.451 4.411 3.960 -0.001 0.000 0.220 51 G HA3 0.451 4.411 3.960 -0.001 0.000 0.220 51 G C 0.210 174.823 174.900 -0.479 0.000 1.261 51 G CA 0.015 44.940 45.100 -0.291 0.000 1.000 51 G HN 2.623 nan 8.290 nan 0.000 0.515 52 G N -2.336 106.090 108.800 -0.623 0.000 2.741 52 G HA2 0.190 4.149 3.960 -0.001 0.000 0.222 52 G HA3 0.190 4.149 3.960 -0.001 0.000 0.222 52 G C -0.233 174.484 174.900 -0.305 0.000 1.364 52 G CA 0.551 45.132 45.100 -0.865 0.000 0.866 52 G HN 1.804 nan 8.290 nan 0.000 0.555 53 W N -1.035 120.085 121.300 -0.300 0.000 2.689 53 W HA 0.659 5.318 4.660 -0.001 0.000 0.340 53 W C -0.544 175.853 176.519 -0.204 0.000 1.060 53 W CA -1.566 55.653 57.345 -0.211 0.000 1.218 53 W CB 0.901 30.344 29.460 -0.028 0.000 1.410 53 W HN 0.461 nan 8.180 nan 0.000 0.528 54 Y N 1.329 121.761 120.300 0.221 0.000 2.319 54 Y HA -0.018 4.531 4.550 -0.001 0.000 0.328 54 Y C 1.563 177.567 175.900 0.174 0.000 1.133 54 Y CA -0.127 58.062 58.100 0.148 0.000 1.265 54 Y CB 0.358 38.892 38.460 0.123 0.000 1.218 54 Y HN 0.424 nan 8.280 nan 0.000 0.508 55 D N 1.768 122.395 120.400 0.378 0.000 2.088 55 D HA -0.110 4.530 4.640 -0.001 0.000 0.191 55 D C 1.027 177.486 176.300 0.265 0.000 0.992 55 D CA 2.194 56.405 54.000 0.350 0.000 0.831 55 D CB 0.323 41.435 40.800 0.520 0.000 0.973 55 D HN 0.636 nan 8.370 nan 0.000 0.447 56 A N -1.511 121.444 122.820 0.226 0.000 3.141 56 A HA 0.597 4.917 4.320 -0.001 0.000 0.187 56 A C 1.477 179.127 177.584 0.109 0.000 1.089 56 A CA 0.179 52.317 52.037 0.167 0.000 1.284 56 A CB -0.259 18.815 19.000 0.123 0.000 1.762 56 A HN 0.182 nan 8.150 nan 0.000 0.626 57 G N 0.594 109.418 108.800 0.041 0.000 3.233 57 G HA2 0.362 4.321 3.960 -0.001 0.000 0.227 57 G HA3 0.362 4.321 3.960 -0.001 0.000 0.227 57 G C -0.010 174.568 174.900 -0.537 0.000 1.175 57 G CA 0.915 45.889 45.100 -0.211 0.000 0.781 57 G HN 0.719 nan 8.290 nan 0.000 0.542 58 D N -1.560 118.604 120.400 -0.393 0.000 2.627 58 D HA 0.289 4.928 4.640 -0.001 0.000 0.259 58 D C -0.127 175.766 176.300 -0.679 0.000 1.164 58 D CA -0.949 52.734 54.000 -0.528 0.000 1.087 58 D CB 0.423 41.176 40.800 -0.079 0.000 1.217 58 D HN 0.192 nan 8.370 nan 0.000 0.630 59 H N -1.793 117.189 119.070 -0.147 0.000 2.767 59 H HA 0.412 4.967 4.556 -0.001 0.000 0.260 59 H C -0.543 174.800 175.328 0.024 0.000 1.172 59 H CA -0.498 55.348 56.048 -0.337 0.000 1.048 59 H CB 0.916 30.365 29.762 -0.522 0.000 1.697 59 H HN -0.049 nan 8.280 nan 0.000 0.606 60 V N 1.463 121.425 119.914 0.079 0.000 2.607 60 V HA 0.107 4.226 4.120 -0.001 0.000 0.289 60 V C 0.310 176.361 176.094 -0.072 0.000 1.053 60 V CA -0.525 61.687 62.300 -0.148 0.000 0.996 60 V CB 1.517 32.951 31.823 -0.647 0.000 0.995 60 V HN 0.306 nan 8.190 nan 0.000 0.476 61 K N 4.476 124.821 120.400 -0.091 0.000 2.296 61 K HA 0.410 4.729 4.320 -0.001 0.000 0.257 61 K C -1.126 175.485 176.600 0.018 0.000 1.088 61 K CA -0.027 56.272 56.287 0.019 0.000 0.980 61 K CB 0.284 32.784 32.500 0.001 0.000 1.430 61 K HN 0.435 nan 8.250 nan 0.000 0.441 62 F N 1.161 121.210 119.950 0.165 0.000 2.404 62 F HA 0.170 4.696 4.527 -0.001 0.000 0.359 62 F C 1.629 177.526 175.800 0.162 0.000 1.134 62 F CA -0.403 57.679 58.000 0.138 0.000 1.160 62 F CB 1.021 40.007 39.000 -0.024 0.000 1.186 62 F HN 0.659 nan 8.300 nan 0.000 0.526 63 G N 3.400 112.452 108.800 0.420 0.000 2.450 63 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 63 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 63 G C 1.623 176.723 174.900 0.333 0.000 1.130 63 G CA 0.470 45.804 45.100 0.391 0.000 0.760 63 G HN 0.513 nan 8.290 nan 0.000 0.557 64 F N 2.916 122.882 119.950 0.025 0.000 2.031 64 F HA 0.019 4.545 4.527 -0.001 0.000 0.295 64 F C 0.226 176.096 175.800 0.115 0.000 1.133 64 F CA 0.804 58.777 58.000 -0.045 0.000 1.188 64 F CB -1.133 37.764 39.000 -0.173 0.000 0.974 64 F HN 0.123 nan 8.300 nan 0.000 0.473 65 P HA -0.198 nan 4.420 nan 0.000 0.221 65 P C 2.232 179.690 177.300 0.263 0.000 1.150 65 P CA 1.563 64.623 63.100 -0.067 0.000 0.800 65 P CB -0.315 30.986 31.700 -0.664 0.000 0.787 66 M N -0.230 119.555 119.600 0.309 0.000 2.117 66 M HA -0.118 4.361 4.480 -0.001 0.000 0.262 66 M C 2.123 178.767 176.300 0.573 0.000 1.065 66 M CA 2.096 57.689 55.300 0.487 0.000 1.114 66 M CB -0.449 32.426 32.600 0.459 0.000 1.361 66 M HN -0.083 nan 8.290 nan 0.000 0.408 67 A N -0.095 123.039 122.820 0.524 0.000 1.873 67 A HA -0.207 4.113 4.320 -0.001 0.000 0.215 67 A C 1.886 179.715 177.584 0.407 0.000 1.186 67 A CA 1.434 53.726 52.037 0.426 0.000 0.616 67 A CB -1.168 17.907 19.000 0.124 0.000 0.823 67 A HN 0.631 nan 8.150 nan 0.000 0.442 68 F N 1.656 121.774 119.950 0.280 0.000 2.126 68 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 68 F C 2.431 178.447 175.800 0.361 0.000 1.096 68 F CA 2.298 60.476 58.000 0.297 0.000 1.255 68 F CB -0.840 38.268 39.000 0.180 0.000 0.997 68 F HN 0.216 nan 8.300 nan 0.000 0.479 69 T N 0.764 115.505 114.554 0.312 0.000 2.665 69 T HA -0.242 4.107 4.350 -0.001 0.000 0.268 69 T C 2.226 177.055 174.700 0.214 0.000 1.035 69 T CA 1.689 63.956 62.100 0.278 0.000 1.151 69 T CB -0.970 68.221 68.868 0.538 0.000 0.862 69 T HN 0.400 nan 8.240 nan 0.000 0.438 70 A N 1.426 124.442 122.820 0.328 0.000 1.883 70 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 70 A C 2.583 180.212 177.584 0.074 0.000 1.186 70 A CA 2.263 54.442 52.037 0.238 0.000 0.624 70 A CB -1.355 17.824 19.000 0.299 0.000 0.822 70 A HN 0.511 nan 8.150 nan 0.000 0.444 71 T N 0.015 114.592 114.554 0.038 0.000 2.720 71 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 71 T C 1.941 176.613 174.700 -0.046 0.000 1.037 71 T CA 1.630 63.669 62.100 -0.103 0.000 1.144 71 T CB -0.256 68.646 68.868 0.057 0.000 0.864 71 T HN 0.272 nan 8.240 nan 0.000 0.444 72 M N 0.642 120.215 119.600 -0.044 0.000 2.132 72 M HA 0.096 4.576 4.480 -0.001 0.000 0.263 72 M C 2.322 178.634 176.300 0.019 0.000 1.065 72 M CA 1.256 56.594 55.300 0.063 0.000 1.122 72 M CB -1.226 31.276 32.600 -0.163 0.000 1.365 72 M HN 0.266 nan 8.290 nan 0.000 0.411 73 L N -0.433 120.776 121.223 -0.024 0.000 2.046 73 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 73 L C 2.691 179.541 176.870 -0.034 0.000 1.077 73 L CA 1.168 55.984 54.840 -0.040 0.000 0.747 73 L CB -0.853 41.167 42.059 -0.065 0.000 0.896 73 L HN 0.255 nan 8.230 nan 0.000 0.432 74 A N -0.648 122.147 122.820 -0.043 0.000 1.902 74 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 74 A C 2.040 179.652 177.584 0.048 0.000 1.181 74 A CA 1.377 53.367 52.037 -0.078 0.000 0.623 74 A CB -0.996 17.904 19.000 -0.168 0.000 0.818 74 A HN 0.623 nan 8.150 nan 0.000 0.443 75 W N 0.998 122.221 121.300 -0.129 0.000 2.335 75 W HA -0.126 4.533 4.660 -0.001 0.000 0.311 75 W C 2.210 178.896 176.519 0.278 0.000 1.213 75 W CA 1.614 59.038 57.345 0.131 0.000 1.274 75 W CB -1.063 28.599 29.460 0.336 0.000 1.148 75 W HN 0.255 nan 8.180 nan 0.000 0.498 76 G N 0.093 109.003 108.800 0.183 0.000 2.422 76 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 76 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 76 G C 1.690 176.745 174.900 0.259 0.000 1.146 76 G CA 1.751 46.876 45.100 0.043 0.000 0.769 76 G HN 0.425 nan 8.290 nan 0.000 0.547 77 A N 0.303 123.246 122.820 0.206 0.000 2.015 77 A HA 0.171 4.490 4.320 -0.001 0.000 0.219 77 A C 2.342 180.010 177.584 0.139 0.000 1.163 77 A CA 0.946 53.047 52.037 0.107 0.000 0.646 77 A CB -0.224 18.642 19.000 -0.224 0.000 0.806 77 A HN 0.399 nan 8.150 nan 0.000 0.448 78 I N -0.780 119.916 120.570 0.209 0.000 2.333 78 I HA -0.124 4.045 4.170 -0.001 0.000 0.246 78 I C 2.368 178.655 176.117 0.283 0.000 1.106 78 I CA 0.843 62.288 61.300 0.242 0.000 1.411 78 I CB -0.225 37.981 38.000 0.343 0.000 1.082 78 I HN 0.249 nan 8.210 nan 0.000 0.420 79 E N 0.091 120.510 120.200 0.365 0.000 2.072 79 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 79 E C 1.139 177.869 176.600 0.218 0.000 0.985 79 E CA 0.951 57.540 56.400 0.315 0.000 0.801 79 E CB -0.062 29.843 29.700 0.342 0.000 0.750 79 E HN 0.167 nan 8.360 nan 0.000 0.452 80 S N 1.004 116.832 115.700 0.214 0.000 2.112 80 S HA 0.202 4.671 4.470 -0.001 0.000 0.151 80 S C -2.023 172.696 174.600 0.198 0.000 1.723 80 S CA -1.382 56.915 58.200 0.161 0.000 1.263 80 S CB 0.761 64.025 63.200 0.107 0.000 1.194 80 S HN -0.130 nan 8.310 nan 0.000 0.419 81 P HA -0.077 nan 4.420 nan 0.000 0.218 81 P C 1.104 178.493 177.300 0.149 0.000 1.149 81 P CA 0.895 64.090 63.100 0.159 0.000 0.817 81 P CB 0.282 32.037 31.700 0.092 0.000 0.785 82 E N 0.204 120.467 120.200 0.106 0.000 2.110 82 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 82 E C 2.358 179.000 176.600 0.070 0.000 0.988 82 E CA 1.449 57.896 56.400 0.078 0.000 0.804 82 E CB -1.283 28.450 29.700 0.055 0.000 0.745 82 E HN 0.297 nan 8.360 nan 0.000 0.458 83 G N -0.229 108.601 108.800 0.051 0.000 2.418 83 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 83 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 83 G C 1.364 176.242 174.900 -0.038 0.000 1.158 83 G CA 0.630 45.714 45.100 -0.028 0.000 0.771 83 G HN 0.254 nan 8.290 nan 0.000 0.545 84 Y N 0.332 120.645 120.300 0.022 0.000 2.337 84 Y HA 0.171 4.720 4.550 -0.001 0.000 0.293 84 Y C 2.688 178.609 175.900 0.035 0.000 1.123 84 Y CA 0.472 58.589 58.100 0.027 0.000 1.201 84 Y CB -0.015 38.454 38.460 0.015 0.000 1.011 84 Y HN 0.121 nan 8.280 nan 0.000 0.545 85 I N -0.634 120.042 120.570 0.178 0.000 2.252 85 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 85 I C 2.177 178.348 176.117 0.090 0.000 1.102 85 I CA 1.272 62.640 61.300 0.112 0.000 1.385 85 I CB -0.244 37.804 38.000 0.081 0.000 1.064 85 I HN 0.054 nan 8.210 nan 0.000 0.414 86 R N 0.771 121.317 120.500 0.075 0.000 2.092 86 R HA -0.104 4.235 4.340 -0.001 0.000 0.231 86 R C 2.383 178.722 176.300 0.065 0.000 1.119 86 R CA 1.635 57.772 56.100 0.061 0.000 0.970 86 R CB -0.363 29.966 30.300 0.048 0.000 0.864 86 R HN 0.418 nan 8.270 nan 0.000 0.440 87 S N -0.818 114.920 115.700 0.064 0.000 2.561 87 S HA 0.078 4.548 4.470 -0.001 0.000 0.225 87 S C 1.488 176.153 174.600 0.108 0.000 0.977 87 S CA 0.404 58.643 58.200 0.064 0.000 0.926 87 S CB 0.208 63.422 63.200 0.023 0.000 0.769 87 S HN 0.509 nan 8.310 nan 0.000 0.533 88 G N 1.110 109.985 108.800 0.126 0.000 2.153 88 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.252 88 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.252 88 G C 0.655 175.692 174.900 0.228 0.000 0.994 88 G CA 0.439 45.629 45.100 0.149 0.000 0.698 88 G HN 0.515 nan 8.290 nan 0.000 0.521 89 Q N -1.148 118.811 119.800 0.265 0.000 2.319 89 Q HA 0.316 4.655 4.340 -0.001 0.000 0.202 89 Q C 2.258 178.454 176.000 0.326 0.000 0.896 89 Q CA 0.712 56.752 55.803 0.395 0.000 0.942 89 Q CB -0.011 28.964 28.738 0.395 0.000 1.083 89 Q HN 0.613 nan 8.270 nan 0.000 0.510 90 M N 2.630 122.350 119.600 0.201 0.000 2.106 90 M HA -0.099 4.381 4.480 -0.001 0.000 0.259 90 M C -1.056 175.204 176.300 -0.066 0.000 1.068 90 M CA 1.842 57.164 55.300 0.036 0.000 1.100 90 M CB -1.119 31.495 32.600 0.022 0.000 1.351 90 M HN -0.011 nan 8.290 nan 0.000 0.404 91 P HA -0.160 nan 4.420 nan 0.000 0.218 91 P C 0.922 178.071 177.300 -0.252 0.000 1.149 91 P CA 1.599 64.558 63.100 -0.234 0.000 0.817 91 P CB -0.385 31.093 31.700 -0.370 0.000 0.785 92 Y N -0.258 120.088 120.300 0.077 0.000 2.337 92 Y HA -0.029 4.520 4.550 -0.001 0.000 0.293 92 Y C 2.634 178.575 175.900 0.068 0.000 1.123 92 Y CA 0.444 58.601 58.100 0.095 0.000 1.201 92 Y CB -1.443 37.104 38.460 0.145 0.000 1.011 92 Y HN -0.149 nan 8.280 nan 0.000 0.545 93 L N 0.563 121.851 121.223 0.108 0.000 2.017 93 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 93 L C 2.082 178.921 176.870 -0.051 0.000 1.073 93 L CA 1.898 56.699 54.840 -0.066 0.000 0.745 93 L CB -0.416 41.351 42.059 -0.486 0.000 0.894 93 L HN -0.006 nan 8.230 nan 0.000 0.432 94 K N -0.578 119.774 120.400 -0.080 0.000 2.097 94 K HA -0.214 4.106 4.320 -0.001 0.000 0.206 94 K C 1.867 178.608 176.600 0.235 0.000 1.049 94 K CA 1.577 57.866 56.287 0.003 0.000 0.933 94 K CB -0.292 32.184 32.500 -0.039 0.000 0.717 94 K HN 0.387 nan 8.250 nan 0.000 0.442 95 D N 0.752 121.248 120.400 0.161 0.000 2.117 95 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 95 D C 1.597 178.055 176.300 0.263 0.000 0.987 95 D CA 1.077 55.193 54.000 0.192 0.000 0.829 95 D CB 0.004 40.898 40.800 0.157 0.000 0.961 95 D HN 0.073 nan 8.370 nan 0.000 0.460 96 N N -0.140 118.714 118.700 0.257 0.000 2.142 96 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 96 N C 2.004 177.743 175.510 0.382 0.000 1.023 96 N CA 0.476 53.737 53.050 0.351 0.000 0.852 96 N CB -0.309 38.339 38.487 0.269 0.000 0.998 96 N HN 0.294 nan 8.380 nan 0.000 0.424 97 L N 0.680 122.072 121.223 0.282 0.000 2.056 97 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 97 L C 2.601 179.636 176.870 0.276 0.000 1.078 97 L CA 0.872 55.869 54.840 0.263 0.000 0.749 97 L CB -0.269 41.944 42.059 0.257 0.000 0.901 97 L HN 0.162 nan 8.230 nan 0.000 0.433 98 R N -0.332 120.378 120.500 0.350 0.000 2.092 98 R HA -0.226 4.113 4.340 -0.001 0.000 0.231 98 R C 2.336 178.656 176.300 0.035 0.000 1.119 98 R CA 1.382 57.558 56.100 0.126 0.000 0.970 98 R CB -0.322 29.951 30.300 -0.044 0.000 0.864 98 R HN 0.485 nan 8.270 nan 0.000 0.440 99 W N 0.489 121.743 121.300 -0.077 0.000 2.354 99 W HA -0.207 4.452 4.660 -0.001 0.000 0.315 99 W C 1.765 178.052 176.519 -0.387 0.000 1.206 99 W CA 1.668 58.911 57.345 -0.170 0.000 1.290 99 W CB -0.563 28.854 29.460 -0.072 0.000 1.152 99 W HN 0.057 nan 8.180 nan 0.000 0.489 100 V N 2.049 121.713 119.914 -0.417 0.000 2.427 100 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 100 V C 2.074 177.635 176.094 -0.888 0.000 1.051 100 V CA 2.169 63.897 62.300 -0.954 0.000 1.048 100 V CB -0.642 30.278 31.823 -1.505 0.000 0.666 100 V HN 0.158 nan 8.190 nan 0.000 0.456 101 N N 0.091 118.528 118.700 -0.439 0.000 2.270 101 N HA -0.132 4.607 4.740 -0.001 0.000 0.181 101 N C 1.417 176.801 175.510 -0.211 0.000 1.016 101 N CA 1.563 54.476 53.050 -0.228 0.000 0.870 101 N CB -0.253 38.212 38.487 -0.037 0.000 0.979 101 N HN 0.511 nan 8.380 nan 0.000 0.431 102 D N 0.137 120.404 120.400 -0.222 0.000 2.178 102 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 102 D C 1.673 177.815 176.300 -0.263 0.000 0.980 102 D CA 0.677 54.542 54.000 -0.225 0.000 0.842 102 D CB -0.222 40.388 40.800 -0.316 0.000 0.948 102 D HN 0.361 nan 8.370 nan 0.000 0.472 103 Y N 0.252 120.256 120.300 -0.494 0.000 2.220 103 Y HA -0.146 4.404 4.550 -0.001 0.000 0.291 103 Y C 1.842 177.632 175.900 -0.184 0.000 1.129 103 Y CA 1.108 58.958 58.100 -0.417 0.000 1.161 103 Y CB -0.358 37.767 38.460 -0.560 0.000 0.997 103 Y HN -0.199 nan 8.280 nan 0.000 0.522 104 F N 0.339 120.152 119.950 -0.228 0.000 2.216 104 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 104 F C 2.254 177.894 175.800 -0.267 0.000 1.085 104 F CA 0.961 58.810 58.000 -0.252 0.000 1.326 104 F CB -1.122 37.788 39.000 -0.150 0.000 1.027 104 F HN 0.106 nan 8.300 nan 0.000 0.497 105 I N -0.177 120.312 120.570 -0.135 0.000 2.202 105 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 105 I C 2.338 178.389 176.117 -0.111 0.000 1.091 105 I CA 1.349 62.487 61.300 -0.270 0.000 1.368 105 I CB -0.495 37.312 38.000 -0.323 0.000 1.058 105 I HN 0.042 nan 8.210 nan 0.000 0.410 106 K N 1.004 121.303 120.400 -0.169 0.000 2.063 106 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 106 K C 2.069 178.576 176.600 -0.155 0.000 1.048 106 K CA 1.606 57.792 56.287 -0.169 0.000 0.928 106 K CB -0.296 32.069 32.500 -0.226 0.000 0.713 106 K HN 0.310 nan 8.250 nan 0.000 0.442 107 A N 0.540 123.219 122.820 -0.236 0.000 2.209 107 A HA -0.125 4.194 4.320 -0.001 0.000 0.212 107 A C 0.606 178.279 177.584 0.147 0.000 1.158 107 A CA 0.715 52.688 52.037 -0.107 0.000 0.742 107 A CB -0.439 18.390 19.000 -0.284 0.000 0.790 107 A HN 0.348 nan 8.150 nan 0.000 0.472 108 H N 0.224 119.304 119.070 0.016 0.000 2.360 108 H HA 0.217 4.772 4.556 -0.001 0.000 0.233 108 H C -1.856 173.516 175.328 0.074 0.000 1.473 108 H CA -1.569 54.519 56.048 0.066 0.000 1.352 108 H CB 1.089 30.944 29.762 0.154 0.000 1.493 108 H HN 0.245 nan 8.280 nan 0.000 0.533 109 P HA -0.086 nan 4.420 nan 0.000 0.219 109 P C 0.107 177.279 177.300 -0.213 0.000 1.150 109 P CA 0.645 63.691 63.100 -0.090 0.000 0.814 109 P CB 0.570 32.263 31.700 -0.012 0.000 0.787 110 S N -2.990 112.491 115.700 -0.366 0.000 2.579 110 S HA 0.436 4.905 4.470 -0.001 0.000 0.272 110 S C -2.373 171.877 174.600 -0.584 0.000 1.141 110 S CA -1.447 56.524 58.200 -0.382 0.000 0.843 110 S CB 1.757 64.822 63.200 -0.225 0.000 1.122 110 S HN -0.223 nan 8.310 nan 0.000 0.468 111 P HA -0.202 nan 4.420 nan 0.000 0.219 111 P C 0.268 177.520 177.300 -0.080 0.000 1.158 111 P CA 1.665 64.655 63.100 -0.183 0.000 0.895 111 P CB -0.248 31.412 31.700 -0.067 0.000 0.792 112 N N -0.816 117.719 118.700 -0.276 0.000 2.273 112 N HA 0.155 4.895 4.740 -0.001 0.000 0.231 112 N C -0.482 174.487 175.510 -0.902 0.000 1.134 112 N CA 0.037 52.695 53.050 -0.653 0.000 0.856 112 N CB 1.071 39.325 38.487 -0.388 0.000 1.068 112 N HN 0.071 nan 8.380 nan 0.000 0.510 113 V N 1.741 121.340 119.914 -0.525 0.000 2.483 113 V HA 0.412 4.531 4.120 -0.001 0.000 0.297 113 V C -0.794 175.198 176.094 -0.170 0.000 1.027 113 V CA -0.852 61.211 62.300 -0.395 0.000 0.855 113 V CB 2.333 33.990 31.823 -0.277 0.000 0.995 113 V HN -0.017 nan 8.190 nan 0.000 0.424 114 L N 5.835 126.952 121.223 -0.178 0.000 2.404 114 L HA 0.599 4.938 4.340 -0.001 0.000 0.272 114 L C -1.191 175.624 176.870 -0.092 0.000 0.980 114 L CA -0.250 54.587 54.840 -0.005 0.000 0.836 114 L CB 1.520 43.623 42.059 0.074 0.000 1.238 114 L HN 0.549 nan 8.230 nan 0.000 0.408 115 Y N 4.435 124.761 120.300 0.042 0.000 2.436 115 Y HA 0.274 4.824 4.550 -0.001 0.000 0.343 115 Y C 1.214 177.191 175.900 0.127 0.000 1.008 115 Y CA 0.421 58.562 58.100 0.068 0.000 1.241 115 Y CB 1.249 39.715 38.460 0.010 0.000 1.153 115 Y HN 0.510 nan 8.280 nan 0.000 0.521 116 V N 0.173 120.252 119.914 0.275 0.000 3.578 116 V HA 0.287 4.406 4.120 -0.001 0.000 0.290 116 V C -0.038 176.286 176.094 0.384 0.000 1.376 116 V CA 0.091 62.575 62.300 0.307 0.000 1.083 116 V CB 0.112 32.097 31.823 0.269 0.000 0.911 116 V HN 0.763 nan 8.190 nan 0.000 0.433 117 Q N 0.010 120.055 119.800 0.409 0.000 2.403 117 Q HA 0.616 4.955 4.340 -0.001 0.000 0.267 117 Q C -2.360 173.853 176.000 0.355 0.000 0.991 117 Q CA -0.397 55.627 55.803 0.368 0.000 0.906 117 Q CB 3.104 32.074 28.738 0.386 0.000 1.422 117 Q HN 0.185 nan 8.270 nan 0.000 0.400 118 V N 2.855 122.893 119.914 0.207 0.000 2.443 118 V HA 0.909 5.028 4.120 -0.001 0.000 0.293 118 V C 0.055 176.187 176.094 0.064 0.000 1.021 118 V CA 0.382 62.762 62.300 0.134 0.000 0.848 118 V CB 1.206 33.105 31.823 0.126 0.000 0.998 118 V HN 1.004 nan 8.190 nan 0.000 0.424 119 G N 3.904 112.753 108.800 0.081 0.000 2.576 119 G HA2 0.086 4.045 3.960 -0.001 0.000 0.686 119 G HA3 0.086 4.045 3.960 -0.001 0.000 0.686 119 G C -1.336 173.617 174.900 0.088 0.000 1.242 119 G CA -0.497 44.627 45.100 0.040 0.000 0.819 119 G HN 0.886 nan 8.290 nan 0.000 0.655 120 D N 0.252 120.691 120.400 0.065 0.000 2.303 120 D HA 0.587 5.227 4.640 -0.001 0.000 0.236 120 D C 1.560 177.791 176.300 -0.116 0.000 1.068 120 D CA 0.885 54.923 54.000 0.065 0.000 0.830 120 D CB 0.995 41.880 40.800 0.142 0.000 1.109 120 D HN 0.793 nan 8.370 nan 0.000 0.496 121 G N 3.316 111.952 108.800 -0.273 0.000 2.513 121 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.219 121 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.219 121 G C 1.098 175.744 174.900 -0.424 0.000 1.160 121 G CA 0.769 45.454 45.100 -0.692 0.000 0.767 121 G HN 0.602 nan 8.290 nan 0.000 0.571 122 D N 0.753 121.153 120.400 0.001 0.000 2.123 122 D HA 0.008 4.647 4.640 -0.001 0.000 0.200 122 D C 2.890 179.249 176.300 0.099 0.000 0.976 122 D CA 1.115 55.178 54.000 0.106 0.000 0.831 122 D CB -0.246 40.644 40.800 0.151 0.000 0.974 122 D HN 0.331 nan 8.370 nan 0.000 0.469 123 A N 1.114 123.979 122.820 0.075 0.000 1.898 123 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 123 A C 1.946 179.608 177.584 0.130 0.000 1.181 123 A CA 1.968 54.063 52.037 0.096 0.000 0.620 123 A CB -0.579 18.462 19.000 0.070 0.000 0.819 123 A HN 0.159 nan 8.150 nan 0.000 0.442 124 D N -1.184 119.270 120.400 0.088 0.000 2.097 124 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 124 D C 1.641 178.141 176.300 0.334 0.000 0.989 124 D CA 1.398 55.501 54.000 0.170 0.000 0.827 124 D CB -0.270 40.576 40.800 0.076 0.000 0.966 124 D HN 0.730 nan 8.370 nan 0.000 0.456 125 H N -0.850 118.309 119.070 0.149 0.000 2.559 125 H HA 0.079 4.634 4.556 -0.001 0.000 0.273 125 H C 1.588 177.056 175.328 0.233 0.000 1.000 125 H CA 0.205 56.365 56.048 0.186 0.000 1.195 125 H CB 0.384 30.262 29.762 0.193 0.000 1.368 125 H HN 0.092 nan 8.280 nan 0.000 0.592 126 K N 0.024 120.636 120.400 0.352 0.000 2.296 126 K HA -0.078 4.241 4.320 -0.001 0.000 0.200 126 K C 0.085 176.912 176.600 0.378 0.000 1.048 126 K CA 0.323 56.794 56.287 0.308 0.000 0.966 126 K CB 0.358 33.006 32.500 0.246 0.000 0.754 126 K HN 0.172 nan 8.250 nan 0.000 0.466 127 W N 0.430 121.847 121.300 0.196 0.000 2.520 127 W HA 0.204 4.863 4.660 -0.001 0.000 0.323 127 W C -1.284 175.375 176.519 0.233 0.000 1.062 127 W CA -0.986 56.477 57.345 0.196 0.000 1.215 127 W CB 0.837 30.391 29.460 0.156 0.000 1.340 127 W HN -0.058 nan 8.180 nan 0.000 0.516 128 W N 8.267 129.225 121.300 -0.570 0.000 2.363 128 W HA 0.553 5.213 4.660 -0.001 0.000 0.314 128 W C -0.729 175.167 176.519 -1.039 0.000 0.994 128 W CA -0.415 56.578 57.345 -0.586 0.000 1.449 128 W CB 0.979 30.249 29.460 -0.316 0.000 1.248 128 W HN 0.698 nan 8.180 nan 0.000 0.409 129 G N 4.883 112.795 108.800 -1.479 0.000 2.550 129 G HA2 0.437 4.397 3.960 -0.001 0.000 0.293 129 G HA3 0.437 4.397 3.960 -0.001 0.000 0.293 129 G C -3.357 171.198 174.900 -0.575 0.000 1.402 129 G CA -0.974 43.385 45.100 -1.236 0.000 0.784 129 G HN -0.057 nan 8.290 nan 0.000 0.482 130 P HA 0.317 nan 4.420 nan 0.000 0.268 130 P C 0.861 178.185 177.300 0.040 0.000 1.205 130 P CA 0.516 63.635 63.100 0.031 0.000 0.771 130 P CB 1.328 33.090 31.700 0.104 0.000 0.858 131 A N 3.112 125.793 122.820 -0.230 0.000 1.978 131 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 131 A C 1.740 179.194 177.584 -0.217 0.000 1.170 131 A CA 1.695 53.359 52.037 -0.621 0.000 0.636 131 A CB -1.100 17.516 19.000 -0.641 0.000 0.810 131 A HN 0.539 nan 8.150 nan 0.000 0.448 132 E N -0.593 119.576 120.200 -0.052 0.000 2.265 132 E HA -0.080 4.269 4.350 -0.001 0.000 0.196 132 E C 1.308 177.896 176.600 -0.021 0.000 0.996 132 E CA 1.300 57.695 56.400 -0.009 0.000 0.832 132 E CB -0.164 29.557 29.700 0.035 0.000 0.756 132 E HN 0.689 nan 8.360 nan 0.000 0.491 133 V N -2.635 117.294 119.914 0.024 0.000 2.988 133 V HA 0.322 4.442 4.120 -0.001 0.000 0.356 133 V C 0.287 176.227 176.094 -0.258 0.000 1.380 133 V CA -0.503 61.758 62.300 -0.065 0.000 1.184 133 V CB -0.540 31.367 31.823 0.141 0.000 1.204 133 V HN 0.022 nan 8.190 nan 0.000 0.530 134 M N 3.673 123.100 119.600 -0.288 0.000 2.286 134 M HA 0.136 4.615 4.480 -0.001 0.000 0.365 134 M C -0.826 175.110 176.300 -0.607 0.000 1.443 134 M CA -0.036 54.922 55.300 -0.570 0.000 0.951 134 M CB 0.837 33.245 32.600 -0.320 0.000 1.961 134 M HN 0.220 nan 8.290 nan 0.000 0.468 135 P HA 0.049 nan 4.420 nan 0.000 0.245 135 P C -0.070 177.029 177.300 -0.335 0.000 1.199 135 P CA 0.531 63.316 63.100 -0.525 0.000 0.807 135 P CB 0.225 31.654 31.700 -0.451 0.000 1.002 136 M N -0.676 118.731 119.600 -0.321 0.000 2.283 136 M HA 0.398 4.877 4.480 -0.001 0.000 0.314 136 M C -0.091 176.136 176.300 -0.121 0.000 1.153 136 M CA -0.071 55.128 55.300 -0.169 0.000 1.084 136 M CB 0.221 32.755 32.600 -0.108 0.000 1.468 136 M HN -0.307 nan 8.290 nan 0.000 0.474 137 E N 1.812 121.967 120.200 -0.074 0.000 2.366 137 E HA 0.318 4.667 4.350 -0.001 0.000 0.266 137 E C -0.709 175.866 176.600 -0.042 0.000 1.051 137 E CA 0.015 56.379 56.400 -0.060 0.000 0.884 137 E CB 0.630 30.303 29.700 -0.044 0.000 1.006 137 E HN 0.543 nan 8.360 nan 0.000 0.417 138 R N 2.958 123.429 120.500 -0.049 0.000 2.358 138 R HA 0.335 4.674 4.340 -0.001 0.000 0.309 138 R C -2.309 173.947 176.300 -0.072 0.000 1.026 138 R CA -1.663 54.417 56.100 -0.034 0.000 0.909 138 R CB 1.259 31.546 30.300 -0.022 0.000 1.153 138 R HN 0.217 nan 8.270 nan 0.000 0.515 139 P HA 0.158 nan 4.420 nan 0.000 0.274 139 P C -0.709 176.330 177.300 -0.434 0.000 1.231 139 P CA -0.332 62.591 63.100 -0.296 0.000 0.790 139 P CB 1.173 32.651 31.700 -0.369 0.000 0.951 140 S N 1.348 116.758 115.700 -0.484 0.000 2.489 140 S HA 0.660 5.130 4.470 -0.001 0.000 0.291 140 S C -0.698 173.635 174.600 -0.445 0.000 1.151 140 S CA -0.221 57.812 58.200 -0.277 0.000 1.082 140 S CB 0.096 63.218 63.200 -0.130 0.000 1.019 140 S HN 0.206 nan 8.310 nan 0.000 0.492 141 F N 1.829 121.933 119.950 0.257 0.000 2.563 141 F HA 0.659 5.185 4.527 -0.001 0.000 0.316 141 F C 0.231 176.098 175.800 0.111 0.000 1.076 141 F CA -0.933 57.169 58.000 0.171 0.000 0.921 141 F CB 1.864 40.942 39.000 0.129 0.000 1.209 141 F HN 0.510 nan 8.300 nan 0.000 0.462 142 K N -0.103 120.351 120.400 0.090 0.000 2.499 142 K HA 0.910 5.229 4.320 -0.001 0.000 0.277 142 K C -1.839 174.726 176.600 -0.058 0.000 1.025 142 K CA -1.089 55.072 56.287 -0.210 0.000 0.900 142 K CB 2.398 34.351 32.500 -0.911 0.000 1.494 142 K HN 0.473 nan 8.250 nan 0.000 0.442 143 V N -1.159 118.721 119.914 -0.056 0.000 2.823 143 V HA 0.777 4.896 4.120 -0.001 0.000 0.312 143 V C -1.530 174.573 176.094 0.016 0.000 1.072 143 V CA -0.432 61.911 62.300 0.071 0.000 0.937 143 V CB 1.295 33.247 31.823 0.216 0.000 1.013 143 V HN 1.090 nan 8.190 nan 0.000 0.430 144 D N 2.184 122.625 120.400 0.067 0.000 2.768 144 D HA 0.525 5.164 4.640 -0.001 0.000 0.327 144 D C -2.717 173.598 176.300 0.025 0.000 1.302 144 D CA -1.591 52.347 54.000 -0.103 0.000 0.897 144 D CB 0.905 41.578 40.800 -0.212 0.000 1.420 144 D HN 0.241 nan 8.370 nan 0.000 0.494 145 P HA -0.081 nan 4.420 nan 0.000 0.217 145 P C 1.076 178.233 177.300 -0.240 0.000 1.148 145 P CA 1.710 64.475 63.100 -0.558 0.000 0.828 145 P CB 0.110 31.271 31.700 -0.897 0.000 0.783 146 S N -2.224 113.390 115.700 -0.144 0.000 2.402 146 S HA -0.082 4.387 4.470 -0.001 0.000 0.229 146 S C 1.059 175.642 174.600 -0.027 0.000 1.021 146 S CA 0.813 58.972 58.200 -0.069 0.000 0.974 146 S CB -0.613 62.551 63.200 -0.059 0.000 0.800 146 S HN 0.204 nan 8.310 nan 0.000 0.484 147 c N 3.059 121.654 118.600 -0.010 0.000 3.296 147 c HA 0.392 4.961 4.570 -0.001 0.000 0.317 147 c C -2.598 171.525 174.090 0.054 0.000 1.040 147 c CA -1.975 54.363 56.329 0.015 0.000 1.352 147 c CB 0.587 43.104 42.510 0.012 0.000 1.797 147 c HN 0.278 nan 8.230 nan 0.000 0.552 148 P HA 0.484 nan 4.420 nan 0.000 0.279 148 P C -0.164 177.137 177.300 0.002 0.000 1.282 148 P CA 0.204 63.329 63.100 0.042 0.000 0.788 148 P CB 1.101 32.757 31.700 -0.073 0.000 1.139 149 G N -0.847 107.889 108.800 -0.107 0.000 3.743 149 G HA2 0.220 4.180 3.960 -0.001 0.000 0.289 149 G HA3 0.220 4.180 3.960 -0.001 0.000 0.289 149 G C 0.593 175.361 174.900 -0.219 0.000 2.097 149 G CA -0.179 44.891 45.100 -0.050 0.000 0.624 149 G HN 0.283 nan 8.290 nan 0.000 0.402 150 S N 1.136 116.629 115.700 -0.345 0.000 2.382 150 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 150 S C 2.220 176.717 174.600 -0.172 0.000 1.027 150 S CA 1.969 59.918 58.200 -0.418 0.000 0.991 150 S CB -0.026 62.713 63.200 -0.768 0.000 0.823 150 S HN 0.753 nan 8.310 nan 0.000 0.469 151 D N 1.627 121.985 120.400 -0.070 0.000 2.078 151 D HA -0.084 4.555 4.640 -0.001 0.000 0.193 151 D C 1.865 178.095 176.300 -0.117 0.000 0.990 151 D CA 0.958 54.941 54.000 -0.027 0.000 0.827 151 D CB -1.091 39.644 40.800 -0.108 0.000 0.975 151 D HN 0.272 nan 8.370 nan 0.000 0.451 152 V N 0.261 119.929 119.914 -0.410 0.000 2.515 152 V HA -0.078 4.042 4.120 -0.001 0.000 0.250 152 V C 2.283 178.346 176.094 -0.051 0.000 1.058 152 V CA 1.983 64.094 62.300 -0.316 0.000 1.064 152 V CB -0.615 30.818 31.823 -0.650 0.000 0.675 152 V HN 0.340 nan 8.190 nan 0.000 0.461 153 A N -0.148 122.650 122.820 -0.038 0.000 1.898 153 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 153 A C 2.411 180.029 177.584 0.056 0.000 1.181 153 A CA 1.850 53.909 52.037 0.037 0.000 0.620 153 A CB -0.948 18.100 19.000 0.080 0.000 0.819 153 A HN 0.772 nan 8.150 nan 0.000 0.442 154 A N -0.371 122.493 122.820 0.073 0.000 1.930 154 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 154 A C 1.956 179.726 177.584 0.310 0.000 1.175 154 A CA 2.090 54.257 52.037 0.217 0.000 0.627 154 A CB -0.405 18.735 19.000 0.233 0.000 0.815 154 A HN 0.530 nan 8.150 nan 0.000 0.443 155 E N -0.144 120.247 120.200 0.317 0.000 2.047 155 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 155 E C 1.984 178.703 176.600 0.198 0.000 0.987 155 E CA 2.005 58.653 56.400 0.413 0.000 0.799 155 E CB -0.600 29.416 29.700 0.527 0.000 0.752 155 E HN 0.481 nan 8.360 nan 0.000 0.449 156 T N 0.309 114.868 114.554 0.009 0.000 2.788 156 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 156 T C 1.791 176.387 174.700 -0.173 0.000 1.044 156 T CA 1.290 63.218 62.100 -0.288 0.000 1.139 156 T CB -0.443 68.154 68.868 -0.451 0.000 0.867 156 T HN 0.337 nan 8.240 nan 0.000 0.454 157 A N 1.528 124.333 122.820 -0.025 0.000 1.877 157 A HA 0.175 4.494 4.320 -0.001 0.000 0.216 157 A C 2.666 180.254 177.584 0.006 0.000 1.186 157 A CA 1.756 53.804 52.037 0.019 0.000 0.620 157 A CB -1.121 17.970 19.000 0.151 0.000 0.822 157 A HN 0.502 nan 8.150 nan 0.000 0.443 158 A N -0.167 122.690 122.820 0.061 0.000 1.933 158 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 158 A C 2.489 179.963 177.584 -0.183 0.000 1.175 158 A CA 2.066 54.084 52.037 -0.032 0.000 0.628 158 A CB -0.970 18.048 19.000 0.030 0.000 0.814 158 A HN 1.044 nan 8.150 nan 0.000 0.444 159 A N -0.437 122.339 122.820 -0.073 0.000 1.902 159 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 159 A C 2.261 179.821 177.584 -0.040 0.000 1.181 159 A CA 1.839 53.847 52.037 -0.048 0.000 0.623 159 A CB -0.519 18.534 19.000 0.088 0.000 0.818 159 A HN 0.541 nan 8.150 nan 0.000 0.443 160 M N -0.789 118.790 119.600 -0.035 0.000 2.200 160 M HA -0.036 4.443 4.480 -0.001 0.000 0.265 160 M C 2.525 178.788 176.300 -0.061 0.000 1.066 160 M CA 1.163 56.446 55.300 -0.028 0.000 1.127 160 M CB -0.380 32.197 32.600 -0.039 0.000 1.379 160 M HN 0.466 nan 8.290 nan 0.000 0.420 161 A N 0.717 123.488 122.820 -0.082 0.000 1.873 161 A HA -0.011 4.309 4.320 -0.001 0.000 0.215 161 A C 2.399 179.929 177.584 -0.090 0.000 1.186 161 A CA 1.872 53.862 52.037 -0.079 0.000 0.616 161 A CB -0.954 17.997 19.000 -0.080 0.000 0.823 161 A HN 0.459 nan 8.150 nan 0.000 0.442 162 A N -0.595 122.092 122.820 -0.220 0.000 1.933 162 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 162 A C 2.409 179.884 177.584 -0.182 0.000 1.175 162 A CA 2.070 53.889 52.037 -0.364 0.000 0.628 162 A CB -0.802 17.621 19.000 -0.962 0.000 0.814 162 A HN 0.447 nan 8.150 nan 0.000 0.444 163 S N 0.332 115.974 115.700 -0.097 0.000 2.402 163 S HA -0.139 4.330 4.470 -0.001 0.000 0.229 163 S C 2.319 177.003 174.600 0.140 0.000 1.021 163 S CA 1.457 59.679 58.200 0.038 0.000 0.974 163 S CB -0.381 62.910 63.200 0.151 0.000 0.800 163 S HN 0.914 nan 8.310 nan 0.000 0.484 164 S N 2.160 117.903 115.700 0.071 0.000 2.382 164 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 164 S C 1.763 176.414 174.600 0.085 0.000 1.027 164 S CA 0.942 59.195 58.200 0.088 0.000 0.991 164 S CB -0.766 62.437 63.200 0.004 0.000 0.823 164 S HN 0.514 nan 8.310 nan 0.000 0.469 165 I N 1.427 122.014 120.570 0.028 0.000 2.286 165 I HA -0.111 4.058 4.170 -0.001 0.000 0.248 165 I C 2.392 178.504 176.117 -0.010 0.000 1.115 165 I CA 0.944 62.254 61.300 0.017 0.000 1.392 165 I CB -0.495 37.522 38.000 0.028 0.000 1.065 165 I HN 0.219 nan 8.210 nan 0.000 0.418 166 V N 0.254 120.122 119.914 -0.077 0.000 2.427 166 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 166 V C 2.002 177.912 176.094 -0.307 0.000 1.051 166 V CA 1.840 63.995 62.300 -0.242 0.000 1.048 166 V CB -0.602 30.963 31.823 -0.430 0.000 0.666 166 V HN 0.272 nan 8.190 nan 0.000 0.456 167 F N 0.147 120.118 119.950 0.035 0.000 2.698 167 F HA 0.321 4.848 4.527 -0.001 0.000 0.295 167 F C 2.256 178.088 175.800 0.054 0.000 1.124 167 F CA 0.337 58.378 58.000 0.069 0.000 1.426 167 F CB -0.880 38.222 39.000 0.171 0.000 1.120 167 F HN 0.039 nan 8.300 nan 0.000 0.583 168 A N 0.666 123.588 122.820 0.170 0.000 1.906 168 A HA -0.316 4.003 4.320 -0.001 0.000 0.222 168 A C 2.085 179.724 177.584 0.091 0.000 1.282 168 A CA 2.679 54.780 52.037 0.107 0.000 0.675 168 A CB -0.981 18.053 19.000 0.056 0.000 0.838 168 A HN 0.325 nan 8.150 nan 0.000 0.469 169 D N -0.847 119.595 120.400 0.069 0.000 2.194 169 D HA -0.063 4.576 4.640 -0.001 0.000 0.204 169 D C 1.310 177.651 176.300 0.069 0.000 0.964 169 D CA 1.198 55.231 54.000 0.055 0.000 0.846 169 D CB -0.328 40.492 40.800 0.033 0.000 0.962 169 D HN 0.449 nan 8.370 nan 0.000 0.490 170 D N 0.371 120.831 120.400 0.100 0.000 2.106 170 D HA -0.071 4.568 4.640 -0.001 0.000 0.203 170 D C 0.502 176.873 176.300 0.119 0.000 0.977 170 D CA 0.976 55.043 54.000 0.112 0.000 0.844 170 D CB 0.177 41.074 40.800 0.161 0.000 1.002 170 D HN 0.019 nan 8.370 nan 0.000 0.461 171 D N -0.300 120.208 120.400 0.178 0.000 2.502 171 D HA 0.120 4.759 4.640 -0.001 0.000 0.301 171 D C -1.833 174.558 176.300 0.152 0.000 1.202 171 D CA -1.787 52.295 54.000 0.136 0.000 0.878 171 D CB 1.424 42.285 40.800 0.101 0.000 1.062 171 D HN -0.071 nan 8.370 nan 0.000 0.499 172 P HA -0.169 nan 4.420 nan 0.000 0.217 172 P C 1.186 178.532 177.300 0.077 0.000 1.148 172 P CA 0.778 63.929 63.100 0.087 0.000 0.828 172 P CB 0.459 32.194 31.700 0.059 0.000 0.783 173 A N -0.783 122.083 122.820 0.077 0.000 1.898 173 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 173 A C 2.373 180.015 177.584 0.095 0.000 1.181 173 A CA 1.275 53.353 52.037 0.068 0.000 0.620 173 A CB -1.826 17.206 19.000 0.054 0.000 0.819 173 A HN 0.123 nan 8.150 nan 0.000 0.442 174 Y N 0.678 120.948 120.300 -0.050 0.000 2.200 174 Y HA -0.019 4.530 4.550 -0.001 0.000 0.290 174 Y C 2.643 178.504 175.900 -0.066 0.000 1.137 174 Y CA 0.938 58.975 58.100 -0.105 0.000 1.163 174 Y CB -0.606 37.719 38.460 -0.224 0.000 0.988 174 Y HN 0.300 nan 8.280 nan 0.000 0.518 175 A N 0.450 123.294 122.820 0.040 0.000 1.940 175 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 175 A C 2.438 179.998 177.584 -0.041 0.000 1.176 175 A CA 2.038 54.074 52.037 -0.001 0.000 0.631 175 A CB -1.463 17.599 19.000 0.104 0.000 0.814 175 A HN 0.583 nan 8.150 nan 0.000 0.446 176 A N -1.095 121.722 122.820 -0.006 0.000 1.898 176 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 176 A C 2.299 179.880 177.584 -0.005 0.000 1.181 176 A CA 2.230 54.269 52.037 0.002 0.000 0.620 176 A CB -1.236 17.776 19.000 0.020 0.000 0.819 176 A HN 0.431 nan 8.150 nan 0.000 0.442 177 T N 0.677 115.217 114.554 -0.024 0.000 2.746 177 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 177 T C 1.804 176.516 174.700 0.021 0.000 1.039 177 T CA 1.460 63.569 62.100 0.015 0.000 1.142 177 T CB -0.392 68.467 68.868 -0.016 0.000 0.866 177 T HN 0.376 nan 8.240 nan 0.000 0.444 178 L N 0.629 121.753 121.223 -0.165 0.000 2.017 178 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 178 L C 2.698 179.553 176.870 -0.025 0.000 1.073 178 L CA 0.969 55.712 54.840 -0.162 0.000 0.745 178 L CB -0.832 41.059 42.059 -0.280 0.000 0.894 178 L HN 0.141 nan 8.230 nan 0.000 0.432 179 V N -0.164 119.735 119.914 -0.024 0.000 2.343 179 V HA -0.342 3.777 4.120 -0.001 0.000 0.247 179 V C 2.522 178.637 176.094 0.034 0.000 1.051 179 V CA 2.016 64.314 62.300 -0.003 0.000 1.036 179 V CB -0.570 31.250 31.823 -0.005 0.000 0.654 179 V HN 0.545 nan 8.190 nan 0.000 0.451 180 Q N -0.941 118.888 119.800 0.049 0.000 2.084 180 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 180 Q C 2.327 178.352 176.000 0.042 0.000 0.978 180 Q CA 1.866 57.694 55.803 0.042 0.000 0.844 180 Q CB -0.170 28.581 28.738 0.022 0.000 0.898 180 Q HN 0.718 nan 8.270 nan 0.000 0.426 181 H N -0.757 118.325 119.070 0.021 0.000 2.357 181 H HA -0.064 4.491 4.556 -0.001 0.000 0.301 181 H C 1.996 177.306 175.328 -0.030 0.000 1.082 181 H CA 1.248 57.316 56.048 0.034 0.000 1.342 181 H CB 0.059 29.823 29.762 0.003 0.000 1.389 181 H HN 0.454 nan 8.280 nan 0.000 0.511 182 A N 1.408 124.279 122.820 0.085 0.000 1.940 182 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 182 A C 2.362 179.992 177.584 0.077 0.000 1.176 182 A CA 1.564 53.619 52.037 0.031 0.000 0.631 182 A CB -0.295 18.695 19.000 -0.017 0.000 0.814 182 A HN 0.316 nan 8.150 nan 0.000 0.446 183 K N -0.596 119.860 120.400 0.093 0.000 2.026 183 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 183 K C 2.401 179.127 176.600 0.210 0.000 1.048 183 K CA 1.754 58.144 56.287 0.171 0.000 0.929 183 K CB -0.228 32.370 32.500 0.163 0.000 0.713 183 K HN 0.634 nan 8.250 nan 0.000 0.439 184 Q N 0.643 120.537 119.800 0.157 0.000 2.050 184 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 184 Q C 2.246 178.379 176.000 0.222 0.000 0.980 184 Q CA 1.305 57.217 55.803 0.181 0.000 0.840 184 Q CB -0.182 28.670 28.738 0.191 0.000 0.898 184 Q HN 0.274 nan 8.270 nan 0.000 0.424 185 L N -0.591 120.713 121.223 0.135 0.000 2.079 185 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 185 L C 2.392 179.387 176.870 0.207 0.000 1.081 185 L CA 1.253 56.171 54.840 0.131 0.000 0.752 185 L CB -0.396 41.621 42.059 -0.071 0.000 0.896 185 L HN 0.272 nan 8.230 nan 0.000 0.433 186 Y N 0.456 120.818 120.300 0.104 0.000 2.242 186 Y HA -0.236 4.313 4.550 -0.001 0.000 0.291 186 Y C 2.644 178.617 175.900 0.122 0.000 1.137 186 Y CA 1.949 60.111 58.100 0.103 0.000 1.181 186 Y CB -0.287 38.232 38.460 0.097 0.000 0.989 186 Y HN 0.062 nan 8.280 nan 0.000 0.527 187 T N 0.801 115.476 114.554 0.202 0.000 2.746 187 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 187 T C 1.547 176.287 174.700 0.067 0.000 1.039 187 T CA 1.554 63.729 62.100 0.125 0.000 1.142 187 T CB -0.775 68.199 68.868 0.177 0.000 0.866 187 T HN 0.443 nan 8.240 nan 0.000 0.444 188 F N 2.646 122.613 119.950 0.029 0.000 2.095 188 F HA -0.047 4.479 4.527 -0.001 0.000 0.298 188 F C 2.419 178.220 175.800 0.001 0.000 1.104 188 F CA 0.963 59.019 58.000 0.093 0.000 1.232 188 F CB -0.991 38.077 39.000 0.113 0.000 0.987 188 F HN 0.146 nan 8.300 nan 0.000 0.475 189 A N -0.442 122.122 122.820 -0.426 0.000 1.933 189 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 189 A C 1.931 179.182 177.584 -0.554 0.000 1.175 189 A CA 1.950 53.624 52.037 -0.605 0.000 0.628 189 A CB -1.170 17.572 19.000 -0.430 0.000 0.814 189 A HN 0.506 nan 8.150 nan 0.000 0.444 190 D N -1.516 118.577 120.400 -0.512 0.000 2.194 190 D HA -0.053 4.586 4.640 -0.001 0.000 0.204 190 D C 1.917 178.032 176.300 -0.310 0.000 0.964 190 D CA 1.719 55.479 54.000 -0.400 0.000 0.846 190 D CB 0.043 40.635 40.800 -0.348 0.000 0.962 190 D HN 0.346 nan 8.370 nan 0.000 0.490 191 T N -1.131 113.227 114.554 -0.327 0.000 2.770 191 T HA -0.044 4.306 4.350 -0.001 0.000 0.258 191 T C -0.004 174.340 174.700 -0.592 0.000 1.039 191 T CA 0.771 62.601 62.100 -0.450 0.000 1.143 191 T CB -0.211 68.335 68.868 -0.536 0.000 0.866 191 T HN 0.072 nan 8.240 nan 0.000 0.428 192 Y N 2.484 122.641 120.300 -0.239 0.000 2.504 192 Y HA 0.416 4.966 4.550 -0.001 0.000 0.339 192 Y C 0.487 176.151 175.900 -0.393 0.000 0.974 192 Y CA -1.035 56.921 58.100 -0.240 0.000 1.232 192 Y CB 0.261 38.635 38.460 -0.143 0.000 1.108 192 Y HN -0.160 nan 8.280 nan 0.000 0.509 193 R N 2.459 122.820 120.500 -0.232 0.000 2.308 193 R HA 0.723 5.063 4.340 -0.001 0.000 0.305 193 R C 0.120 176.277 176.300 -0.239 0.000 1.053 193 R CA -0.440 55.417 56.100 -0.405 0.000 0.957 193 R CB 1.101 31.211 30.300 -0.318 0.000 1.022 193 R HN 0.896 nan 8.270 nan 0.000 0.461 194 G N 0.623 109.227 108.800 -0.325 0.000 2.377 194 G HA2 0.162 4.122 3.960 -0.001 0.000 0.297 194 G HA3 0.162 4.122 3.960 -0.001 0.000 0.297 194 G C -1.563 173.375 174.900 0.064 0.000 1.547 194 G CA -0.791 44.303 45.100 -0.010 0.000 0.833 194 G HN 0.301 nan 8.290 nan 0.000 0.583 195 V N 2.406 122.406 119.914 0.143 0.000 2.432 195 V HA 0.199 4.318 4.120 -0.001 0.000 0.271 195 V C 1.530 177.654 176.094 0.050 0.000 1.046 195 V CA -0.008 62.367 62.300 0.125 0.000 0.945 195 V CB 0.571 32.428 31.823 0.057 0.000 0.992 195 V HN 0.861 nan 8.190 nan 0.000 0.471 196 Y N 4.262 124.502 120.300 -0.099 0.000 2.256 196 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 196 Y C 2.193 178.055 175.900 -0.065 0.000 1.155 196 Y CA 1.673 59.719 58.100 -0.091 0.000 1.203 196 Y CB -0.843 37.537 38.460 -0.134 0.000 0.980 196 Y HN 0.611 nan 8.280 nan 0.000 0.530 197 S N -0.778 114.435 115.700 -0.811 0.000 2.507 197 S HA -0.131 4.339 4.470 -0.001 0.000 0.235 197 S C 1.114 175.502 174.600 -0.354 0.000 0.988 197 S CA 0.972 58.731 58.200 -0.736 0.000 0.944 197 S CB -0.296 62.533 63.200 -0.618 0.000 0.762 197 S HN 0.513 nan 8.310 nan 0.000 0.526 198 D N 0.471 120.735 120.400 -0.226 0.000 2.347 198 D HA 0.166 4.806 4.640 -0.001 0.000 0.213 198 D C 1.197 177.436 176.300 -0.102 0.000 0.985 198 D CA 0.296 54.215 54.000 -0.135 0.000 0.879 198 D CB 0.087 40.840 40.800 -0.079 0.000 0.919 198 D HN 0.471 nan 8.370 nan 0.000 0.526 199 c N -0.298 118.239 118.600 -0.106 0.000 2.800 199 c HA 0.232 4.801 4.570 -0.001 0.000 0.379 199 c C 0.882 174.938 174.090 -0.056 0.000 1.304 199 c CA -0.445 55.855 56.329 -0.049 0.000 1.960 199 c CB 0.311 42.823 42.510 0.004 0.000 2.599 199 c HN 0.110 nan 8.230 nan 0.000 0.578 200 V N -0.889 118.948 119.914 -0.127 0.000 2.815 200 V HA 0.613 4.733 4.120 -0.001 0.000 0.314 200 V C -2.664 173.272 176.094 -0.263 0.000 1.064 200 V CA -1.974 60.223 62.300 -0.172 0.000 0.952 200 V CB 1.322 33.127 31.823 -0.031 0.000 1.020 200 V HN 0.026 nan 8.190 nan 0.000 0.439 201 P HA 0.294 nan 4.420 nan 0.000 0.225 201 P C 0.268 177.559 177.300 -0.014 0.000 1.768 201 P CA 0.292 63.250 63.100 -0.236 0.000 0.943 201 P CB 0.498 31.996 31.700 -0.336 0.000 1.936 202 A N 0.282 123.104 122.820 0.004 0.000 2.431 202 A HA 0.396 4.716 4.320 -0.001 0.000 0.239 202 A C 2.104 179.733 177.584 0.075 0.000 1.230 202 A CA 0.498 52.686 52.037 0.251 0.000 0.928 202 A CB -0.468 18.705 19.000 0.288 0.000 1.006 202 A HN 0.326 nan 8.150 nan 0.000 0.520 203 G N 0.434 109.163 108.800 -0.117 0.000 2.442 203 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.219 203 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.219 203 G C 1.508 176.247 174.900 -0.268 0.000 1.141 203 G CA 1.205 46.166 45.100 -0.231 0.000 0.763 203 G HN 0.780 nan 8.290 nan 0.000 0.554 204 A N -0.870 121.713 122.820 -0.396 0.000 2.209 204 A HA 0.434 4.753 4.320 -0.001 0.000 0.212 204 A C 1.727 178.755 177.584 -0.928 0.000 1.158 204 A CA 0.876 52.496 52.037 -0.694 0.000 0.742 204 A CB -0.190 18.239 19.000 -0.951 0.000 0.790 204 A HN 0.338 nan 8.150 nan 0.000 0.472 205 F N -3.815 116.029 119.950 -0.177 0.000 2.463 205 F HA 0.311 4.837 4.527 -0.001 0.000 0.271 205 F C 0.307 175.677 175.800 -0.718 0.000 0.888 205 F CA -0.043 57.699 58.000 -0.429 0.000 1.149 205 F CB 0.328 39.047 39.000 -0.468 0.000 1.071 205 F HN 0.047 nan 8.300 nan 0.000 0.802 206 Y N 1.066 121.281 120.300 -0.140 0.000 2.470 206 Y HA 0.322 4.871 4.550 -0.001 0.000 0.352 206 Y C -0.291 175.706 175.900 0.162 0.000 0.967 206 Y CA -1.429 56.537 58.100 -0.223 0.000 1.121 206 Y CB 0.024 38.213 38.460 -0.451 0.000 1.149 206 Y HN -0.102 nan 8.280 nan 0.000 0.641 207 N N 0.527 119.296 118.700 0.115 0.000 2.513 207 N HA -0.014 4.726 4.740 -0.001 0.000 0.268 207 N C 0.194 175.601 175.510 -0.171 0.000 1.180 207 N CA 0.347 53.214 53.050 -0.305 0.000 0.948 207 N CB 0.942 38.822 38.487 -1.011 0.000 1.083 207 N HN 0.184 nan 8.380 nan 0.000 0.455 208 S N 3.541 119.200 115.700 -0.068 0.000 3.517 208 S HA 0.102 4.572 4.470 -0.001 0.000 0.284 208 S C 0.613 175.186 174.600 -0.045 0.000 1.260 208 S CA -0.514 57.776 58.200 0.150 0.000 0.975 208 S CB -0.646 62.645 63.200 0.151 0.000 1.540 208 S HN 0.636 nan 8.310 nan 0.000 0.506 209 W N 2.211 123.594 121.300 0.138 0.000 2.388 209 W HA -0.097 4.563 4.660 -0.001 0.000 0.294 209 W C 2.659 179.148 176.519 -0.050 0.000 1.212 209 W CA 0.896 58.243 57.345 0.004 0.000 1.271 209 W CB -0.449 28.973 29.460 -0.063 0.000 1.126 209 W HN 0.738 nan 8.180 nan 0.000 0.535 210 S N -0.584 115.217 115.700 0.168 0.000 2.496 210 S HA 0.451 4.920 4.470 -0.001 0.000 0.224 210 S C 1.278 175.876 174.600 -0.004 0.000 0.996 210 S CA 0.480 58.705 58.200 0.042 0.000 0.927 210 S CB -0.469 62.734 63.200 0.005 0.000 0.774 210 S HN 0.487 nan 8.310 nan 0.000 0.524 211 G N 1.603 110.418 108.800 0.026 0.000 2.587 211 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.212 211 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.212 211 G C -0.008 174.906 174.900 0.024 0.000 1.327 211 G CA 0.050 45.115 45.100 -0.057 0.000 0.898 211 G HN 0.918 nan 8.290 nan 0.000 0.551 212 Y N -1.590 118.724 120.300 0.023 0.000 2.444 212 Y HA 0.508 5.057 4.550 -0.001 0.000 0.249 212 Y C 2.423 178.353 175.900 0.050 0.000 1.134 212 Y CA 0.968 59.089 58.100 0.033 0.000 1.261 212 Y CB -0.439 38.014 38.460 -0.011 0.000 1.143 212 Y HN 0.556 nan 8.280 nan 0.000 0.523 213 Q N 2.388 122.179 119.800 -0.016 0.000 2.112 213 Q HA -0.219 4.120 4.340 -0.001 0.000 0.206 213 Q C 1.728 177.804 176.000 0.127 0.000 0.987 213 Q CA 2.591 58.438 55.803 0.073 0.000 0.858 213 Q CB -0.516 28.198 28.738 -0.039 0.000 0.905 213 Q HN 0.758 nan 8.270 nan 0.000 0.420 214 D N -0.956 119.485 120.400 0.068 0.000 2.144 214 D HA -0.192 4.448 4.640 -0.001 0.000 0.199 214 D C 1.219 177.632 176.300 0.189 0.000 0.984 214 D CA 1.296 55.329 54.000 0.055 0.000 0.834 214 D CB -0.258 40.505 40.800 -0.061 0.000 0.955 214 D HN 0.301 nan 8.370 nan 0.000 0.465 215 E N 0.407 120.758 120.200 0.251 0.000 2.204 215 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 215 E C 2.294 179.165 176.600 0.451 0.000 0.989 215 E CA 0.187 56.817 56.400 0.383 0.000 0.824 215 E CB -0.201 29.718 29.700 0.364 0.000 0.756 215 E HN 0.351 nan 8.360 nan 0.000 0.477 216 L N -0.360 121.090 121.223 0.378 0.000 2.109 216 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 216 L C 2.024 179.177 176.870 0.471 0.000 1.086 216 L CA 0.603 55.700 54.840 0.428 0.000 0.760 216 L CB -0.192 42.063 42.059 0.326 0.000 0.910 216 L HN 0.095 nan 8.230 nan 0.000 0.437 217 V N -1.056 119.083 119.914 0.375 0.000 2.379 217 V HA -0.277 3.843 4.120 -0.001 0.000 0.245 217 V C 2.052 178.361 176.094 0.359 0.000 1.044 217 V CA 1.590 64.089 62.300 0.331 0.000 1.036 217 V CB -0.657 31.330 31.823 0.273 0.000 0.664 217 V HN 0.624 nan 8.190 nan 0.000 0.453 218 W N 1.583 122.996 121.300 0.190 0.000 2.355 218 W HA -0.142 4.517 4.660 -0.001 0.000 0.309 218 W C 2.160 178.866 176.519 0.313 0.000 1.206 218 W CA 1.878 59.353 57.345 0.218 0.000 1.284 218 W CB -0.521 29.099 29.460 0.268 0.000 1.145 218 W HN 0.345 nan 8.180 nan 0.000 0.502 219 G N 0.502 109.591 108.800 0.483 0.000 2.418 219 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 219 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 219 G C 1.696 176.529 174.900 -0.112 0.000 1.158 219 G CA 1.648 46.916 45.100 0.281 0.000 0.771 219 G HN 0.390 nan 8.290 nan 0.000 0.545 220 A N 0.139 122.874 122.820 -0.143 0.000 1.877 220 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 220 A C 2.195 179.662 177.584 -0.195 0.000 1.186 220 A CA 1.765 53.604 52.037 -0.330 0.000 0.620 220 A CB -0.768 18.233 19.000 0.003 0.000 0.822 220 A HN 0.506 nan 8.150 nan 0.000 0.443 221 Y N -1.041 119.135 120.300 -0.206 0.000 2.097 221 Y HA -0.286 4.263 4.550 -0.001 0.000 0.282 221 Y C 2.168 177.826 175.900 -0.402 0.000 1.152 221 Y CA 2.044 59.958 58.100 -0.310 0.000 1.136 221 Y CB -0.593 37.568 38.460 -0.497 0.000 0.975 221 Y HN 0.442 nan 8.280 nan 0.000 0.498 222 W N 0.225 121.331 121.300 -0.323 0.000 2.363 222 W HA -0.186 4.473 4.660 -0.001 0.000 0.296 222 W C 2.323 178.570 176.519 -0.453 0.000 1.212 222 W CA 1.087 58.166 57.345 -0.443 0.000 1.260 222 W CB -0.394 28.814 29.460 -0.419 0.000 1.131 222 W HN 0.108 nan 8.180 nan 0.000 0.530 223 L N -1.029 119.998 121.223 -0.326 0.000 2.141 223 L HA -0.249 4.091 4.340 -0.001 0.000 0.209 223 L C 2.403 179.013 176.870 -0.433 0.000 1.094 223 L CA 1.068 55.576 54.840 -0.553 0.000 0.763 223 L CB -0.812 40.524 42.059 -1.205 0.000 0.908 223 L HN 0.084 nan 8.230 nan 0.000 0.437 224 Y N 1.098 121.122 120.300 -0.461 0.000 2.145 224 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 224 Y C 2.471 178.206 175.900 -0.275 0.000 1.145 224 Y CA 1.466 59.414 58.100 -0.254 0.000 1.148 224 Y CB -0.167 38.122 38.460 -0.285 0.000 0.981 224 Y HN -0.022 nan 8.280 nan 0.000 0.507 225 K N 0.105 120.136 120.400 -0.615 0.000 2.097 225 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 225 K C 2.285 178.700 176.600 -0.307 0.000 1.049 225 K CA 1.159 57.095 56.287 -0.584 0.000 0.933 225 K CB -0.551 31.642 32.500 -0.512 0.000 0.717 225 K HN 0.433 nan 8.250 nan 0.000 0.442 226 A N 1.193 123.892 122.820 -0.201 0.000 1.970 226 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 226 A C 2.237 179.761 177.584 -0.100 0.000 1.170 226 A CA 1.906 53.875 52.037 -0.113 0.000 0.645 226 A CB -0.416 18.534 19.000 -0.083 0.000 0.816 226 A HN 0.470 nan 8.150 nan 0.000 0.447 227 T N -5.618 108.872 114.554 -0.106 0.000 3.046 227 T HA 0.413 4.762 4.350 -0.001 0.000 0.242 227 T C 1.559 176.237 174.700 -0.036 0.000 1.018 227 T CA 1.244 63.331 62.100 -0.022 0.000 1.131 227 T CB 0.036 68.960 68.868 0.093 0.000 0.904 227 T HN 1.628 nan 8.240 nan 0.000 0.459 228 G N 1.455 110.188 108.800 -0.112 0.000 2.175 228 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.244 228 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.244 228 G C -0.215 174.741 174.900 0.094 0.000 0.982 228 G CA 0.084 45.104 45.100 -0.134 0.000 0.641 228 G HN 0.699 nan 8.290 nan 0.000 0.527 229 D N 1.032 121.552 120.400 0.200 0.000 2.342 229 D HA 0.312 4.951 4.640 -0.001 0.000 0.260 229 D C 1.295 177.770 176.300 0.292 0.000 1.278 229 D CA -0.326 53.802 54.000 0.214 0.000 0.910 229 D CB 0.423 41.350 40.800 0.211 0.000 1.079 229 D HN 0.151 nan 8.370 nan 0.000 0.496 230 D N 1.679 122.188 120.400 0.181 0.000 2.190 230 D HA -0.192 4.448 4.640 -0.001 0.000 0.200 230 D C 1.966 178.237 176.300 -0.050 0.000 0.992 230 D CA 1.184 55.222 54.000 0.064 0.000 0.854 230 D CB -0.028 40.788 40.800 0.028 0.000 0.936 230 D HN 0.518 nan 8.370 nan 0.000 0.462 231 S N -0.190 115.468 115.700 -0.070 0.000 2.400 231 S HA -0.236 4.233 4.470 -0.001 0.000 0.232 231 S C 2.038 176.564 174.600 -0.123 0.000 1.025 231 S CA 0.777 58.892 58.200 -0.142 0.000 0.993 231 S CB -0.750 62.308 63.200 -0.237 0.000 0.808 231 S HN 0.241 nan 8.310 nan 0.000 0.478 232 Y N 1.370 121.644 120.300 -0.043 0.000 2.200 232 Y HA 0.120 4.670 4.550 -0.001 0.000 0.290 232 Y C 2.403 178.216 175.900 -0.146 0.000 1.137 232 Y CA 0.508 58.564 58.100 -0.073 0.000 1.163 232 Y CB -0.875 37.556 38.460 -0.048 0.000 0.988 232 Y HN 0.288 nan 8.280 nan 0.000 0.518 233 L N 0.143 121.247 121.223 -0.198 0.000 2.083 233 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 233 L C 2.319 179.088 176.870 -0.168 0.000 1.083 233 L CA 1.975 56.547 54.840 -0.446 0.000 0.752 233 L CB -1.104 40.293 42.059 -1.103 0.000 0.899 233 L HN 0.129 nan 8.230 nan 0.000 0.433 234 A N -0.400 122.354 122.820 -0.110 0.000 1.877 234 A HA -0.267 4.052 4.320 -0.001 0.000 0.216 234 A C 2.352 179.988 177.584 0.087 0.000 1.186 234 A CA 1.985 54.012 52.037 -0.016 0.000 0.620 234 A CB -0.661 18.320 19.000 -0.032 0.000 0.822 234 A HN 0.448 nan 8.150 nan 0.000 0.443 235 K N 0.348 120.810 120.400 0.103 0.000 2.063 235 K HA -0.026 4.293 4.320 -0.001 0.000 0.208 235 K C 1.950 178.719 176.600 0.282 0.000 1.048 235 K CA 1.828 58.246 56.287 0.219 0.000 0.928 235 K CB -0.635 32.004 32.500 0.232 0.000 0.713 235 K HN 0.325 nan 8.250 nan 0.000 0.442 236 A N 0.997 123.931 122.820 0.190 0.000 1.858 236 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 236 A C 1.987 179.695 177.584 0.208 0.000 1.190 236 A CA 1.835 53.988 52.037 0.193 0.000 0.617 236 A CB -0.634 18.434 19.000 0.113 0.000 0.827 236 A HN 0.524 nan 8.150 nan 0.000 0.443 237 E N -1.814 118.472 120.200 0.143 0.000 2.265 237 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 237 E C 1.758 178.490 176.600 0.219 0.000 0.996 237 E CA 1.331 57.825 56.400 0.158 0.000 0.832 237 E CB -0.244 29.523 29.700 0.112 0.000 0.756 237 E HN 0.826 nan 8.360 nan 0.000 0.491 238 Y N 1.922 122.305 120.300 0.138 0.000 2.176 238 Y HA -0.099 4.450 4.550 -0.001 0.000 0.291 238 Y C 2.046 178.064 175.900 0.196 0.000 1.122 238 Y CA 1.231 59.416 58.100 0.141 0.000 1.128 238 Y CB 0.158 38.710 38.460 0.153 0.000 1.005 238 Y HN -0.151 nan 8.280 nan 0.000 0.509 239 E N -0.511 119.791 120.200 0.170 0.000 2.268 239 E HA -0.248 4.101 4.350 -0.001 0.000 0.195 239 E C 1.912 178.597 176.600 0.140 0.000 0.995 239 E CA 1.035 57.558 56.400 0.204 0.000 0.836 239 E CB -0.742 29.162 29.700 0.340 0.000 0.763 239 E HN 0.671 nan 8.360 nan 0.000 0.491 240 Y N 2.481 122.790 120.300 0.014 0.000 2.193 240 Y HA -0.220 4.329 4.550 -0.001 0.000 0.285 240 Y C 1.611 177.456 175.900 -0.091 0.000 1.166 240 Y CA 1.718 59.831 58.100 0.022 0.000 1.181 240 Y CB 0.084 38.606 38.460 0.104 0.000 0.976 240 Y HN -0.020 nan 8.280 nan 0.000 0.520 241 D N -0.619 119.687 120.400 -0.157 0.000 2.350 241 D HA -0.134 4.506 4.640 -0.001 0.000 0.216 241 D C 0.849 176.806 176.300 -0.571 0.000 0.968 241 D CA 0.927 54.687 54.000 -0.401 0.000 0.894 241 D CB -0.218 40.240 40.800 -0.570 0.000 0.909 241 D HN 0.397 nan 8.370 nan 0.000 0.520 242 F N 0.559 120.429 119.950 -0.134 0.000 2.664 242 F HA 0.223 4.749 4.527 -0.001 0.000 0.303 242 F C 1.100 176.817 175.800 -0.138 0.000 1.092 242 F CA -0.299 57.625 58.000 -0.127 0.000 1.305 242 F CB -0.184 38.743 39.000 -0.121 0.000 1.054 242 F HN -0.244 nan 8.300 nan 0.000 0.565 243 L N 0.186 121.354 121.223 -0.092 0.000 2.467 243 L HA 0.106 4.445 4.340 -0.001 0.000 0.270 243 L C 0.923 177.724 176.870 -0.116 0.000 1.205 243 L CA -0.274 54.479 54.840 -0.146 0.000 0.828 243 L CB 0.339 42.214 42.059 -0.306 0.000 1.101 243 L HN -0.038 nan 8.230 nan 0.000 0.479 244 S N 0.732 116.364 115.700 -0.113 0.000 2.546 244 S HA 0.084 4.554 4.470 -0.001 0.000 0.290 244 S C 0.325 174.877 174.600 -0.080 0.000 1.290 244 S CA -0.525 57.620 58.200 -0.092 0.000 1.069 244 S CB 0.316 63.454 63.200 -0.104 0.000 0.846 244 S HN 0.725 nan 8.310 nan 0.000 0.495 245 T N 0.848 115.369 114.554 -0.056 0.000 2.897 245 T HA 0.528 4.877 4.350 -0.001 0.000 0.278 245 T C -0.358 174.323 174.700 -0.032 0.000 0.981 245 T CA -0.984 61.095 62.100 -0.034 0.000 0.973 245 T CB 0.904 69.757 68.868 -0.024 0.000 1.092 245 T HN 0.566 nan 8.240 nan 0.000 0.543 246 E N 0.988 121.184 120.200 -0.006 0.000 2.166 246 E HA 0.224 4.574 4.350 -0.001 0.000 0.275 246 E C 0.787 177.372 176.600 -0.025 0.000 0.941 246 E CA -0.546 55.833 56.400 -0.035 0.000 0.784 246 E CB 1.199 30.860 29.700 -0.066 0.000 1.115 246 E HN 0.908 nan 8.360 nan 0.000 0.399 247 Q N 1.834 121.604 119.800 -0.049 0.000 2.525 247 Q HA -0.469 3.870 4.340 -0.001 0.000 0.429 247 Q C 1.177 177.166 176.000 -0.018 0.000 1.198 247 Q CA 2.445 58.226 55.803 -0.038 0.000 0.960 247 Q CB -0.893 27.821 28.738 -0.040 0.000 1.570 247 Q HN 0.512 nan 8.270 nan 0.000 1.009 248 Q N 1.543 121.340 119.800 -0.004 0.000 2.246 248 Q HA 0.193 4.532 4.340 -0.001 0.000 0.222 248 Q C -0.082 175.923 176.000 0.008 0.000 0.851 248 Q CA 0.855 56.659 55.803 0.001 0.000 0.945 248 Q CB 1.181 29.922 28.738 0.003 0.000 1.122 248 Q HN 0.687 nan 8.270 nan 0.000 0.508 249 T N -2.160 112.405 114.554 0.018 0.000 2.938 249 T HA 0.347 4.696 4.350 -0.001 0.000 0.285 249 T C 0.095 174.803 174.700 0.014 0.000 1.028 249 T CA -0.286 61.827 62.100 0.021 0.000 1.005 249 T CB 0.959 69.850 68.868 0.039 0.000 1.157 249 T HN 0.125 nan 8.240 nan 0.000 0.550 250 D N 0.042 120.446 120.400 0.006 0.000 2.319 250 D HA 0.168 4.807 4.640 -0.001 0.000 0.230 250 D C 0.289 176.586 176.300 -0.006 0.000 1.094 250 D CA -0.234 53.763 54.000 -0.006 0.000 0.856 250 D CB -0.582 40.208 40.800 -0.016 0.000 0.915 250 D HN 0.422 nan 8.370 nan 0.000 0.517 251 L N 0.809 122.045 121.223 0.022 0.000 2.319 251 L HA 0.276 4.616 4.340 -0.001 0.000 0.280 251 L C 0.979 177.885 176.870 0.060 0.000 1.099 251 L CA -0.565 54.296 54.840 0.035 0.000 0.828 251 L CB 0.775 42.883 42.059 0.081 0.000 1.150 251 L HN -0.239 nan 8.230 nan 0.000 0.442 252 R N 1.593 122.095 120.500 0.004 0.000 2.594 252 R HA 0.127 4.466 4.340 -0.001 0.000 0.272 252 R C 0.189 176.555 176.300 0.111 0.000 1.074 252 R CA -0.345 55.747 56.100 -0.013 0.000 1.105 252 R CB 0.649 30.869 30.300 -0.134 0.000 1.008 252 R HN 0.600 nan 8.270 nan 0.000 0.472 253 S N 2.351 118.083 115.700 0.055 0.000 2.810 253 S HA -0.151 4.318 4.470 -0.001 0.000 0.329 253 S C 0.122 174.897 174.600 0.292 0.000 1.231 253 S CA 0.650 58.885 58.200 0.059 0.000 1.042 253 S CB -0.052 63.112 63.200 -0.061 0.000 0.756 253 S HN 0.711 nan 8.310 nan 0.000 0.504 254 Y N 0.671 121.133 120.300 0.271 0.000 2.729 254 Y HA 0.457 5.006 4.550 -0.001 0.000 0.266 254 Y C 0.888 176.987 175.900 0.331 0.000 1.064 254 Y CA -0.584 57.798 58.100 0.470 0.000 1.251 254 Y CB 0.094 38.737 38.460 0.306 0.000 1.379 254 Y HN 0.464 nan 8.280 nan 0.000 0.569 255 R N 0.080 120.413 120.500 -0.278 0.000 2.359 255 R HA 0.137 4.476 4.340 -0.001 0.000 0.231 255 R C -0.073 176.322 176.300 0.159 0.000 0.913 255 R CA 0.085 55.900 56.100 -0.475 0.000 1.075 255 R CB 0.348 30.201 30.300 -0.744 0.000 1.087 255 R HN 0.520 nan 8.270 nan 0.000 0.515 256 W N -0.884 120.396 121.300 -0.035 0.000 3.778 256 W HA 0.369 5.028 4.660 -0.001 0.000 0.514 256 W C -0.571 175.794 176.519 -0.257 0.000 1.349 256 W CA -0.314 56.947 57.345 -0.141 0.000 0.858 256 W CB 1.675 31.021 29.460 -0.190 0.000 2.586 256 W HN -0.283 nan 8.180 nan 0.000 0.675 257 T N 0.532 114.753 114.554 -0.554 0.000 2.739 257 T HA 0.304 4.654 4.350 -0.001 0.000 0.303 257 T C -1.315 173.151 174.700 -0.389 0.000 1.389 257 T CA -0.697 61.050 62.100 -0.588 0.000 1.001 257 T CB 1.082 69.905 68.868 -0.075 0.000 1.436 257 T HN 0.307 nan 8.240 nan 0.000 0.500 258 I N 2.460 122.927 120.570 -0.171 0.000 2.588 258 I HA 0.569 4.738 4.170 -0.001 0.000 0.283 258 I C -0.030 176.132 176.117 0.075 0.000 1.119 258 I CA 0.351 61.660 61.300 0.015 0.000 1.419 258 I CB 0.156 38.240 38.000 0.141 0.000 1.394 258 I HN 0.858 nan 8.210 nan 0.000 0.562 259 A N 7.874 130.586 122.820 -0.180 0.000 2.506 259 A HA 0.244 4.563 4.320 -0.001 0.000 0.305 259 A C 0.093 176.948 177.584 -1.215 0.000 1.166 259 A CA -0.422 51.407 52.037 -0.347 0.000 0.638 259 A CB -0.048 18.906 19.000 -0.077 0.000 1.336 259 A HN 0.918 nan 8.150 nan 0.000 0.493 260 W N -0.483 120.278 121.300 -0.898 0.000 2.389 260 W HA -0.114 4.546 4.660 -0.001 0.000 0.267 260 W C 0.329 176.361 176.519 -0.812 0.000 1.219 260 W CA 2.113 58.849 57.345 -1.016 0.000 1.189 260 W CB -0.490 28.778 29.460 -0.321 0.000 1.129 260 W HN 0.792 nan 8.180 nan 0.000 0.581 261 D N 0.469 120.241 120.400 -1.046 0.000 2.414 261 D HA -0.086 4.553 4.640 -0.001 0.000 0.237 261 D C -0.136 176.012 176.300 -0.253 0.000 0.975 261 D CA 0.779 54.422 54.000 -0.596 0.000 0.917 261 D CB -0.031 40.256 40.800 -0.855 0.000 1.061 261 D HN -0.179 nan 8.370 nan 0.000 0.480 262 D N -0.465 119.762 120.400 -0.288 0.000 2.440 262 D HA 0.240 4.880 4.640 -0.001 0.000 0.239 262 D C -0.343 175.822 176.300 -0.225 0.000 1.084 262 D CA -0.324 53.582 54.000 -0.157 0.000 0.843 262 D CB 1.462 42.258 40.800 -0.007 0.000 1.097 262 D HN -0.158 nan 8.370 nan 0.000 0.531 263 K N 0.902 121.111 120.400 -0.318 0.000 2.374 263 K HA 0.170 4.489 4.320 -0.001 0.000 0.196 263 K C 1.738 178.098 176.600 -0.398 0.000 1.023 263 K CA -0.051 55.952 56.287 -0.473 0.000 1.103 263 K CB 0.398 32.370 32.500 -0.880 0.000 0.848 263 K HN 0.147 nan 8.250 nan 0.000 0.528 264 S N 0.576 115.994 115.700 -0.471 0.000 2.378 264 S HA -0.235 4.234 4.470 -0.001 0.000 0.229 264 S C 1.374 175.143 174.600 -1.384 0.000 1.052 264 S CA 1.699 59.420 58.200 -0.797 0.000 1.084 264 S CB -0.468 62.156 63.200 -0.960 0.000 0.950 264 S HN 0.372 nan 8.310 nan 0.000 0.440 265 Y N 1.501 121.066 120.300 -1.225 0.000 2.207 265 Y HA -0.064 4.485 4.550 -0.001 0.000 0.287 265 Y C 2.789 178.193 175.900 -0.826 0.000 1.156 265 Y CA 0.760 57.916 58.100 -1.574 0.000 1.182 265 Y CB -1.141 36.224 38.460 -1.824 0.000 0.979 265 Y HN 0.345 nan 8.280 nan 0.000 0.521 266 G N -0.460 108.203 108.800 -0.229 0.000 2.402 266 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 266 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 266 G C 1.795 176.761 174.900 0.110 0.000 1.162 266 G CA 1.554 46.780 45.100 0.211 0.000 0.777 266 G HN 0.468 nan 8.290 nan 0.000 0.539 267 T N -1.511 113.039 114.554 -0.006 0.000 2.821 267 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 267 T C 2.099 176.853 174.700 0.089 0.000 1.046 267 T CA 1.224 63.324 62.100 -0.001 0.000 1.139 267 T CB -0.466 68.469 68.868 0.113 0.000 0.871 267 T HN 0.218 nan 8.240 nan 0.000 0.454 268 Y N 1.810 122.145 120.300 0.058 0.000 2.040 268 Y HA -0.091 4.459 4.550 -0.001 0.000 0.275 268 Y C 2.930 178.834 175.900 0.006 0.000 1.171 268 Y CA 0.042 58.211 58.100 0.114 0.000 1.123 268 Y CB -1.440 37.069 38.460 0.082 0.000 0.963 268 Y HN 0.115 nan 8.280 nan 0.000 0.493 269 V N -0.053 119.967 119.914 0.178 0.000 2.307 269 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 269 V C 2.541 178.671 176.094 0.059 0.000 1.045 269 V CA 1.465 63.820 62.300 0.091 0.000 1.024 269 V CB -0.911 31.021 31.823 0.181 0.000 0.651 269 V HN 0.331 nan 8.190 nan 0.000 0.449 270 L N -0.759 120.397 121.223 -0.112 0.000 2.046 270 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 270 L C 2.371 178.989 176.870 -0.421 0.000 1.077 270 L CA 1.569 56.136 54.840 -0.454 0.000 0.747 270 L CB -0.451 40.895 42.059 -1.189 0.000 0.896 270 L HN 0.310 nan 8.230 nan 0.000 0.432 271 L N -0.905 120.048 121.223 -0.450 0.000 2.109 271 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 271 L C 2.843 179.549 176.870 -0.273 0.000 1.086 271 L CA 0.834 55.336 54.840 -0.563 0.000 0.760 271 L CB -0.661 40.603 42.059 -1.325 0.000 0.910 271 L HN 0.210 nan 8.230 nan 0.000 0.437 272 A N 0.315 123.106 122.820 -0.048 0.000 1.902 272 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 272 A C 2.404 180.111 177.584 0.205 0.000 1.181 272 A CA 1.935 54.114 52.037 0.236 0.000 0.623 272 A CB -0.415 18.788 19.000 0.339 0.000 0.818 272 A HN 0.318 nan 8.150 nan 0.000 0.443 273 K N -0.656 119.846 120.400 0.169 0.000 2.057 273 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 273 K C 2.013 178.695 176.600 0.137 0.000 1.050 273 K CA 1.744 58.135 56.287 0.172 0.000 0.935 273 K CB -0.088 32.518 32.500 0.178 0.000 0.715 273 K HN 0.413 nan 8.250 nan 0.000 0.439 274 E N -0.169 120.098 120.200 0.112 0.000 2.033 274 E HA -0.108 4.242 4.350 -0.001 0.000 0.189 274 E C 1.859 178.531 176.600 0.120 0.000 0.979 274 E CA 2.112 58.596 56.400 0.140 0.000 0.802 274 E CB -0.055 29.764 29.700 0.198 0.000 0.763 274 E HN 0.477 nan 8.360 nan 0.000 0.449 275 T N -4.112 110.509 114.554 0.111 0.000 3.010 275 T HA 0.242 4.591 4.350 -0.001 0.000 0.252 275 T C 1.672 176.451 174.700 0.132 0.000 1.047 275 T CA 0.847 63.024 62.100 0.128 0.000 1.140 275 T CB 0.113 69.091 68.868 0.182 0.000 0.885 275 T HN 0.356 nan 8.240 nan 0.000 0.464 276 G N 1.700 110.600 108.800 0.167 0.000 2.175 276 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.244 276 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.244 276 G C -0.029 174.940 174.900 0.115 0.000 0.982 276 G CA 0.050 45.233 45.100 0.138 0.000 0.641 276 G HN 0.709 nan 8.290 nan 0.000 0.527 277 K N 0.050 120.525 120.400 0.125 0.000 2.448 277 K HA 0.250 4.570 4.320 -0.001 0.000 0.278 277 K C 1.293 177.843 176.600 -0.085 0.000 1.009 277 K CA 0.010 56.276 56.287 -0.035 0.000 0.995 277 K CB 0.765 33.141 32.500 -0.206 0.000 0.917 277 K HN 0.157 nan 8.250 nan 0.000 0.481 278 Q N 3.195 122.941 119.800 -0.090 0.000 2.234 278 Q HA -0.224 4.116 4.340 -0.001 0.000 0.206 278 Q C 1.746 177.669 176.000 -0.128 0.000 0.980 278 Q CA 1.716 57.481 55.803 -0.063 0.000 0.869 278 Q CB -0.004 28.702 28.738 -0.053 0.000 0.912 278 Q HN 0.548 nan 8.270 nan 0.000 0.436 279 K N -1.197 119.022 120.400 -0.303 0.000 2.032 279 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 279 K C 1.493 177.899 176.600 -0.323 0.000 1.048 279 K CA 1.709 57.757 56.287 -0.399 0.000 0.927 279 K CB -0.191 31.894 32.500 -0.691 0.000 0.712 279 K HN 0.275 nan 8.250 nan 0.000 0.441 280 Y N 0.626 120.874 120.300 -0.087 0.000 2.243 280 Y HA -0.015 4.534 4.550 -0.001 0.000 0.293 280 Y C 2.086 178.001 175.900 0.024 0.000 1.124 280 Y CA 0.510 58.573 58.100 -0.062 0.000 1.159 280 Y CB -0.392 38.014 38.460 -0.091 0.000 1.008 280 Y HN 0.000 nan 8.280 nan 0.000 0.527 281 I N 0.125 120.814 120.570 0.199 0.000 2.264 281 I HA -0.307 3.862 4.170 -0.001 0.000 0.248 281 I C 1.665 177.890 176.117 0.181 0.000 1.111 281 I CA 1.636 63.087 61.300 0.252 0.000 1.382 281 I CB -0.318 37.812 38.000 0.218 0.000 1.060 281 I HN 0.150 nan 8.210 nan 0.000 0.418 282 D N 0.772 121.217 120.400 0.075 0.000 2.117 282 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 282 D C 1.851 178.154 176.300 0.005 0.000 0.982 282 D CA 1.162 55.183 54.000 0.035 0.000 0.828 282 D CB -0.232 40.556 40.800 -0.019 0.000 0.967 282 D HN 0.258 nan 8.370 nan 0.000 0.464 283 D N 0.138 120.499 120.400 -0.065 0.000 2.084 283 D HA -0.078 4.562 4.640 -0.001 0.000 0.196 283 D C 2.045 178.309 176.300 -0.061 0.000 0.985 283 D CA 1.298 55.154 54.000 -0.241 0.000 0.826 283 D CB -0.377 40.033 40.800 -0.650 0.000 0.978 283 D HN 0.129 nan 8.370 nan 0.000 0.456 284 A N 1.121 123.976 122.820 0.057 0.000 1.908 284 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 284 A C 1.994 179.677 177.584 0.166 0.000 1.181 284 A CA 1.847 53.979 52.037 0.158 0.000 0.627 284 A CB -0.996 17.837 19.000 -0.278 0.000 0.818 284 A HN 0.284 nan 8.150 nan 0.000 0.445 285 N N -1.257 117.572 118.700 0.215 0.000 2.084 285 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 285 N C 2.118 177.766 175.510 0.231 0.000 1.030 285 N CA 1.208 54.442 53.050 0.305 0.000 0.849 285 N CB -0.177 38.489 38.487 0.299 0.000 1.012 285 N HN 0.505 nan 8.380 nan 0.000 0.423 286 R N 0.206 120.803 120.500 0.161 0.000 2.083 286 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 286 R C 2.117 178.594 176.300 0.294 0.000 1.137 286 R CA 1.725 57.879 56.100 0.090 0.000 0.951 286 R CB -0.322 29.912 30.300 -0.110 0.000 0.851 286 R HN 0.390 nan 8.270 nan 0.000 0.434 287 W N 1.233 122.684 121.300 0.252 0.000 2.332 287 W HA -0.181 4.478 4.660 -0.001 0.000 0.321 287 W C 1.577 178.314 176.519 0.362 0.000 1.219 287 W CA 1.376 58.988 57.345 0.444 0.000 1.277 287 W CB -0.751 29.033 29.460 0.539 0.000 1.161 287 W HN 0.067 nan 8.180 nan 0.000 0.476 288 L N 0.651 121.756 121.223 -0.196 0.000 2.265 288 L HA -0.193 4.146 4.340 -0.001 0.000 0.215 288 L C 2.033 178.809 176.870 -0.157 0.000 1.117 288 L CA 1.516 55.977 54.840 -0.631 0.000 0.782 288 L CB -0.792 40.580 42.059 -1.144 0.000 0.914 288 L HN -0.046 nan 8.230 nan 0.000 0.441 289 D N -0.960 119.517 120.400 0.129 0.000 2.149 289 D HA -0.205 4.435 4.640 -0.001 0.000 0.201 289 D C 1.858 178.272 176.300 0.191 0.000 0.972 289 D CA 0.923 55.046 54.000 0.206 0.000 0.835 289 D CB -0.106 40.817 40.800 0.205 0.000 0.966 289 D HN 0.264 nan 8.370 nan 0.000 0.476 290 Y N -0.554 119.838 120.300 0.152 0.000 2.256 290 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 290 Y C 1.568 177.488 175.900 0.033 0.000 1.155 290 Y CA 1.364 59.558 58.100 0.157 0.000 1.203 290 Y CB -0.371 38.294 38.460 0.342 0.000 0.980 290 Y HN -0.017 nan 8.280 nan 0.000 0.530 291 W N 0.148 121.344 121.300 -0.173 0.000 2.905 291 W HA 0.007 4.666 4.660 -0.001 0.000 0.251 291 W C 2.256 178.592 176.519 -0.305 0.000 1.305 291 W CA 1.716 58.843 57.345 -0.363 0.000 1.465 291 W CB -0.072 29.012 29.460 -0.627 0.000 1.122 291 W HN 0.232 nan 8.180 nan 0.000 0.659 292 T N -4.843 109.690 114.554 -0.034 0.000 3.397 292 T HA -0.012 4.337 4.350 -0.001 0.000 0.233 292 T C 1.553 176.256 174.700 0.004 0.000 0.969 292 T CA 1.059 63.168 62.100 0.014 0.000 1.316 292 T CB -0.790 68.085 68.868 0.012 0.000 1.175 292 T HN -0.116 nan 8.240 nan 0.000 0.381 293 V N -0.641 119.285 119.914 0.020 0.000 3.471 293 V HA 0.643 4.762 4.120 -0.001 0.000 0.258 293 V C 1.261 177.356 176.094 0.002 0.000 1.192 293 V CA 0.241 62.541 62.300 -0.001 0.000 1.116 293 V CB -1.021 30.814 31.823 0.020 0.000 0.792 293 V HN 1.268 nan 8.190 nan 0.000 0.459 294 G N 0.364 109.180 108.800 0.026 0.000 2.692 294 G HA2 0.176 4.136 3.960 -0.001 0.000 0.686 294 G HA3 0.176 4.136 3.960 -0.001 0.000 0.686 294 G C -0.739 174.236 174.900 0.126 0.000 1.243 294 G CA -0.213 44.922 45.100 0.058 0.000 0.782 294 G HN 1.739 nan 8.290 nan 0.000 0.625 295 V N -1.844 118.197 119.914 0.212 0.000 2.483 295 V HA 0.798 4.917 4.120 -0.001 0.000 0.297 295 V C 0.393 176.575 176.094 0.148 0.000 1.027 295 V CA -0.211 62.178 62.300 0.149 0.000 0.855 295 V CB 1.092 32.971 31.823 0.094 0.000 0.995 295 V HN 1.887 nan 8.190 nan 0.000 0.424 296 N N 3.518 122.269 118.700 0.085 0.000 2.758 296 N HA -0.119 4.620 4.740 -0.001 0.000 0.248 296 N C 1.175 176.738 175.510 0.088 0.000 1.076 296 N CA 1.469 54.565 53.050 0.076 0.000 0.696 296 N CB -1.330 37.206 38.487 0.081 0.000 0.979 296 N HN 2.051 nan 8.380 nan 0.000 0.550 297 G N -1.546 107.300 108.800 0.078 0.000 2.234 297 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.260 297 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.260 297 G C -0.112 174.838 174.900 0.082 0.000 0.987 297 G CA 0.665 45.803 45.100 0.064 0.000 0.625 297 G HN 0.537 nan 8.290 nan 0.000 0.532 298 Q N -0.021 119.869 119.800 0.149 0.000 2.256 298 Q HA 0.708 5.047 4.340 -0.001 0.000 0.257 298 Q C 0.155 176.262 176.000 0.178 0.000 0.936 298 Q CA -0.503 55.426 55.803 0.211 0.000 0.903 298 Q CB 1.828 30.760 28.738 0.324 0.000 1.263 298 Q HN 0.421 nan 8.270 nan 0.000 0.440 299 R N 1.499 121.941 120.500 -0.095 0.000 2.643 299 R HA 0.363 4.702 4.340 -0.001 0.000 0.269 299 R C -1.340 174.522 176.300 -0.730 0.000 1.037 299 R CA -0.662 55.132 56.100 -0.510 0.000 0.894 299 R CB 1.982 32.161 30.300 -0.202 0.000 1.238 299 R HN 0.515 nan 8.270 nan 0.000 0.459 300 V N 4.327 123.551 119.914 -1.150 0.000 2.788 300 V HA 0.157 4.277 4.120 -0.001 0.000 0.307 300 V C -2.086 173.738 176.094 -0.450 0.000 1.069 300 V CA -1.038 60.715 62.300 -0.913 0.000 1.173 300 V CB 0.794 31.811 31.823 -1.343 0.000 0.925 300 V HN 0.700 nan 8.190 nan 0.000 0.492 301 P HA 0.152 nan 4.420 nan 0.000 0.265 301 P C -1.548 175.613 177.300 -0.233 0.000 1.193 301 P CA 0.537 63.517 63.100 -0.199 0.000 0.765 301 P CB 0.126 31.714 31.700 -0.186 0.000 0.823 302 Y N 0.620 120.826 120.300 -0.157 0.000 2.446 302 Y HA 0.352 4.901 4.550 -0.001 0.000 0.345 302 Y C 0.957 176.803 175.900 -0.089 0.000 0.984 302 Y CA -0.297 57.732 58.100 -0.119 0.000 1.058 302 Y CB 1.579 39.990 38.460 -0.082 0.000 1.220 302 Y HN 0.310 nan 8.280 nan 0.000 0.455 303 S N 2.585 118.311 115.700 0.043 0.000 2.632 303 S HA 0.316 4.785 4.470 -0.001 0.000 0.267 303 S C -2.163 172.496 174.600 0.098 0.000 1.276 303 S CA -1.150 57.072 58.200 0.036 0.000 0.998 303 S CB 1.556 64.753 63.200 -0.004 0.000 0.953 303 S HN 0.460 nan 8.310 nan 0.000 0.547 304 P HA 0.058 nan 4.420 nan 0.000 0.219 304 P C 1.527 178.895 177.300 0.114 0.000 1.146 304 P CA 1.306 64.455 63.100 0.081 0.000 0.808 304 P CB -0.377 31.358 31.700 0.060 0.000 0.779 305 G N -1.294 107.600 108.800 0.157 0.000 2.534 305 G HA2 0.121 4.080 3.960 -0.001 0.000 0.217 305 G HA3 0.121 4.080 3.960 -0.001 0.000 0.217 305 G C 1.093 176.165 174.900 0.286 0.000 1.128 305 G CA 0.628 45.870 45.100 0.236 0.000 0.784 305 G HN 0.435 nan 8.290 nan 0.000 0.542 306 G N -1.000 107.933 108.800 0.222 0.000 2.138 306 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.193 306 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.193 306 G C 0.184 175.162 174.900 0.129 0.000 0.998 306 G CA 0.185 45.434 45.100 0.248 0.000 0.668 306 G HN 0.541 nan 8.290 nan 0.000 0.516 307 M N 1.405 120.894 119.600 -0.186 0.000 2.233 307 M HA 0.696 5.175 4.480 -0.001 0.000 0.355 307 M C 0.499 176.485 176.300 -0.523 0.000 1.191 307 M CA -0.285 54.644 55.300 -0.617 0.000 1.101 307 M CB 1.189 33.108 32.600 -1.135 0.000 1.592 307 M HN 0.623 nan 8.290 nan 0.000 0.461 308 A N 5.338 127.807 122.820 -0.584 0.000 2.310 308 A HA 0.515 4.835 4.320 -0.001 0.000 0.300 308 A C -0.759 176.568 177.584 -0.428 0.000 1.269 308 A CA -0.572 51.026 52.037 -0.731 0.000 0.909 308 A CB -0.172 18.637 19.000 -0.319 0.000 1.144 308 A HN 0.658 nan 8.150 nan 0.000 0.540 309 V N 5.212 124.856 119.914 -0.450 0.000 2.304 309 V HA 0.101 4.220 4.120 -0.001 0.000 0.269 309 V C 1.044 176.924 176.094 -0.357 0.000 1.036 309 V CA -0.169 61.940 62.300 -0.317 0.000 0.840 309 V CB 0.662 32.336 31.823 -0.249 0.000 1.036 309 V HN 0.941 nan 8.190 nan 0.000 0.466 310 L N 3.240 124.249 121.223 -0.356 0.000 2.162 310 L HA 0.365 4.705 4.340 -0.001 0.000 0.205 310 L C 0.558 177.189 176.870 -0.398 0.000 1.086 310 L CA 1.772 56.295 54.840 -0.527 0.000 0.778 310 L CB 0.196 41.818 42.059 -0.730 0.000 0.928 310 L HN 0.798 nan 8.230 nan 0.000 0.446 311 D N -4.278 116.003 120.400 -0.199 0.000 2.665 311 D HA 0.199 4.838 4.640 -0.001 0.000 0.287 311 D C 0.633 176.934 176.300 0.001 0.000 1.266 311 D CA 0.229 54.225 54.000 -0.008 0.000 0.830 311 D CB 1.108 42.016 40.800 0.180 0.000 1.356 311 D HN -0.149 nan 8.370 nan 0.000 0.437 312 T N -0.426 114.078 114.554 -0.084 0.000 2.867 312 T HA -0.006 4.343 4.350 -0.001 0.000 0.268 312 T C 0.397 174.854 174.700 -0.404 0.000 1.057 312 T CA 0.992 62.869 62.100 -0.370 0.000 1.136 312 T CB -0.219 68.213 68.868 -0.727 0.000 0.874 312 T HN 0.292 nan 8.240 nan 0.000 0.466 313 W N 1.025 122.425 121.300 0.166 0.000 2.338 313 W HA 0.551 5.210 4.660 -0.001 0.000 0.307 313 W C 1.091 177.646 176.519 0.060 0.000 1.167 313 W CA -0.765 56.682 57.345 0.170 0.000 1.208 313 W CB 0.204 29.808 29.460 0.241 0.000 1.228 313 W HN 0.252 nan 8.180 nan 0.000 0.499 314 G N 1.701 110.579 108.800 0.130 0.000 2.356 314 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.296 314 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.296 314 G C 1.105 175.789 174.900 -0.359 0.000 1.022 314 G CA 0.310 45.170 45.100 -0.400 0.000 0.961 314 G HN 0.947 nan 8.290 nan 0.000 0.510 315 A N -0.502 122.230 122.820 -0.146 0.000 1.892 315 A HA -0.030 4.289 4.320 -0.001 0.000 0.218 315 A C 2.520 180.016 177.584 -0.147 0.000 1.188 315 A CA 1.897 53.892 52.037 -0.070 0.000 0.631 315 A CB -0.297 18.623 19.000 -0.133 0.000 0.822 315 A HN 0.864 nan 8.150 nan 0.000 0.447 316 L N -0.997 120.060 121.223 -0.276 0.000 2.093 316 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 316 L C 2.852 179.563 176.870 -0.266 0.000 1.085 316 L CA 1.373 56.041 54.840 -0.286 0.000 0.755 316 L CB -0.502 41.346 42.059 -0.351 0.000 0.904 316 L HN 0.470 nan 8.230 nan 0.000 0.435 317 R N -0.025 120.226 120.500 -0.414 0.000 2.081 317 R HA -0.220 4.120 4.340 -0.001 0.000 0.235 317 R C 2.264 178.471 176.300 -0.156 0.000 1.131 317 R CA 1.871 57.751 56.100 -0.366 0.000 0.960 317 R CB -0.567 29.305 30.300 -0.713 0.000 0.856 317 R HN 0.241 nan 8.270 nan 0.000 0.436 318 Y N 0.578 120.809 120.300 -0.115 0.000 2.145 318 Y HA -0.068 4.481 4.550 -0.001 0.000 0.286 318 Y C 2.606 178.451 175.900 -0.091 0.000 1.145 318 Y CA 1.290 59.347 58.100 -0.072 0.000 1.148 318 Y CB -0.937 37.478 38.460 -0.074 0.000 0.981 318 Y HN 0.226 nan 8.280 nan 0.000 0.507 319 A N -0.062 122.817 122.820 0.099 0.000 1.902 319 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 319 A C 2.468 179.997 177.584 -0.091 0.000 1.181 319 A CA 1.973 54.009 52.037 -0.001 0.000 0.623 319 A CB -1.221 17.752 19.000 -0.046 0.000 0.818 319 A HN 0.399 nan 8.150 nan 0.000 0.443 320 A N 0.109 122.911 122.820 -0.031 0.000 1.898 320 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 320 A C 1.924 179.558 177.584 0.085 0.000 1.181 320 A CA 1.766 53.832 52.037 0.049 0.000 0.620 320 A CB -0.593 18.490 19.000 0.138 0.000 0.819 320 A HN 0.530 nan 8.150 nan 0.000 0.442 321 N N -0.005 118.755 118.700 0.099 0.000 2.084 321 N HA -0.105 4.635 4.740 -0.001 0.000 0.190 321 N C 1.740 177.324 175.510 0.125 0.000 1.030 321 N CA 2.030 55.192 53.050 0.187 0.000 0.849 321 N CB -0.884 37.745 38.487 0.236 0.000 1.012 321 N HN 0.503 nan 8.380 nan 0.000 0.423 322 T N 0.786 115.288 114.554 -0.087 0.000 2.746 322 T HA -0.034 4.316 4.350 -0.001 0.000 0.267 322 T C 1.974 176.619 174.700 -0.092 0.000 1.039 322 T CA 1.277 63.215 62.100 -0.271 0.000 1.142 322 T CB -0.400 67.912 68.868 -0.927 0.000 0.866 322 T HN 0.323 nan 8.240 nan 0.000 0.444 323 A N 1.409 124.195 122.820 -0.056 0.000 1.908 323 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 323 A C 2.004 179.593 177.584 0.007 0.000 1.181 323 A CA 1.491 53.487 52.037 -0.068 0.000 0.627 323 A CB -0.965 17.933 19.000 -0.170 0.000 0.818 323 A HN 0.464 nan 8.150 nan 0.000 0.445 324 F N 1.046 120.939 119.950 -0.095 0.000 2.075 324 F HA -0.144 4.382 4.527 -0.001 0.000 0.297 324 F C 2.229 177.954 175.800 -0.125 0.000 1.113 324 F CA 1.976 59.897 58.000 -0.131 0.000 1.218 324 F CB -0.712 38.196 39.000 -0.153 0.000 0.984 324 F HN 0.017 nan 8.300 nan 0.000 0.472 325 V N 0.931 120.624 119.914 -0.368 0.000 2.407 325 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 325 V C 2.808 178.801 176.094 -0.169 0.000 1.055 325 V CA 1.675 63.773 62.300 -0.337 0.000 1.049 325 V CB -1.851 30.066 31.823 0.157 0.000 0.662 325 V HN 0.510 nan 8.190 nan 0.000 0.455 326 A N -0.164 122.575 122.820 -0.134 0.000 1.933 326 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 326 A C 2.231 179.856 177.584 0.067 0.000 1.175 326 A CA 1.712 53.724 52.037 -0.041 0.000 0.628 326 A CB -0.487 18.553 19.000 0.066 0.000 0.814 326 A HN 0.513 nan 8.150 nan 0.000 0.444 327 L N -0.699 120.509 121.223 -0.024 0.000 2.093 327 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 327 L C 2.509 179.381 176.870 0.003 0.000 1.085 327 L CA 0.879 55.721 54.840 0.002 0.000 0.755 327 L CB -0.446 41.590 42.059 -0.039 0.000 0.904 327 L HN 0.254 nan 8.230 nan 0.000 0.435 328 V N -1.166 118.670 119.914 -0.130 0.000 2.307 328 V HA -0.319 3.800 4.120 -0.001 0.000 0.245 328 V C 2.223 178.413 176.094 0.159 0.000 1.045 328 V CA 1.715 63.989 62.300 -0.043 0.000 1.024 328 V CB -0.661 31.058 31.823 -0.173 0.000 0.651 328 V HN 0.344 nan 8.190 nan 0.000 0.449 329 Y N 1.509 121.834 120.300 0.041 0.000 2.181 329 Y HA -0.195 4.354 4.550 -0.001 0.000 0.288 329 Y C 2.440 178.440 175.900 0.168 0.000 1.146 329 Y CA 1.005 59.176 58.100 0.119 0.000 1.164 329 Y CB -0.863 37.654 38.460 0.094 0.000 0.982 329 Y HN 0.172 nan 8.280 nan 0.000 0.515 330 A N -0.168 122.767 122.820 0.191 0.000 2.084 330 A HA -0.230 4.089 4.320 -0.001 0.000 0.221 330 A C 2.190 179.801 177.584 0.045 0.000 1.161 330 A CA 1.962 54.080 52.037 0.135 0.000 0.653 330 A CB -0.532 18.612 19.000 0.240 0.000 0.802 330 A HN 0.542 nan 8.150 nan 0.000 0.457 331 K N -0.759 119.675 120.400 0.058 0.000 2.262 331 K HA 0.036 4.356 4.320 -0.001 0.000 0.200 331 K C 1.835 178.446 176.600 0.019 0.000 1.049 331 K CA 1.063 57.375 56.287 0.042 0.000 0.979 331 K CB 0.017 32.559 32.500 0.070 0.000 0.773 331 K HN 0.499 nan 8.250 nan 0.000 0.474 332 V N -0.866 119.054 119.914 0.010 0.000 2.725 332 V HA 0.140 4.259 4.120 -0.001 0.000 0.247 332 V C 1.040 177.093 176.094 -0.068 0.000 1.058 332 V CA 0.165 62.472 62.300 0.012 0.000 1.080 332 V CB -0.167 31.721 31.823 0.108 0.000 0.713 332 V HN 0.107 nan 8.190 nan 0.000 0.465 333 I N 1.432 121.871 120.570 -0.220 0.000 2.634 333 I HA 0.124 4.293 4.170 -0.001 0.000 0.284 333 I C 1.149 177.198 176.117 -0.113 0.000 1.124 333 I CA 0.223 61.388 61.300 -0.226 0.000 1.417 333 I CB 0.916 38.658 38.000 -0.429 0.000 1.396 333 I HN 0.235 nan 8.210 nan 0.000 0.571 334 D N 3.929 124.287 120.400 -0.069 0.000 2.240 334 D HA -0.067 4.572 4.640 -0.001 0.000 0.206 334 D C 0.139 176.407 176.300 -0.054 0.000 0.963 334 D CA 0.581 54.553 54.000 -0.046 0.000 0.863 334 D CB 0.097 40.883 40.800 -0.023 0.000 0.973 334 D HN 0.549 nan 8.370 nan 0.000 0.501 335 D N 1.354 121.717 120.400 -0.062 0.000 2.426 335 D HA -0.037 4.603 4.640 -0.001 0.000 0.261 335 D C -1.632 174.615 176.300 -0.089 0.000 1.245 335 D CA -1.317 52.643 54.000 -0.067 0.000 0.917 335 D CB 1.712 42.471 40.800 -0.068 0.000 1.123 335 D HN -0.023 nan 8.370 nan 0.000 0.508 336 P HA -0.140 nan 4.420 nan 0.000 0.216 336 P C 1.549 178.797 177.300 -0.087 0.000 1.150 336 P CA 0.452 63.510 63.100 -0.070 0.000 0.837 336 P CB 0.363 32.033 31.700 -0.050 0.000 0.786 337 V N -0.130 119.729 119.914 -0.092 0.000 2.307 337 V HA -0.211 3.909 4.120 -0.001 0.000 0.245 337 V C 2.411 178.393 176.094 -0.187 0.000 1.045 337 V CA 1.781 64.018 62.300 -0.105 0.000 1.024 337 V CB -0.988 30.785 31.823 -0.083 0.000 0.651 337 V HN 0.057 nan 8.190 nan 0.000 0.449 338 R N 0.098 120.440 120.500 -0.263 0.000 2.092 338 R HA -0.135 4.204 4.340 -0.001 0.000 0.231 338 R C 2.423 178.374 176.300 -0.580 0.000 1.119 338 R CA 1.416 57.175 56.100 -0.568 0.000 0.970 338 R CB -0.325 29.679 30.300 -0.494 0.000 0.864 338 R HN 0.489 nan 8.270 nan 0.000 0.440 339 K N 1.213 121.455 120.400 -0.263 0.000 2.032 339 K HA -0.261 4.058 4.320 -0.001 0.000 0.209 339 K C 2.206 178.785 176.600 -0.034 0.000 1.048 339 K CA 1.766 57.985 56.287 -0.112 0.000 0.927 339 K CB -0.013 32.437 32.500 -0.082 0.000 0.712 339 K HN 0.131 nan 8.250 nan 0.000 0.441 340 Q N 0.607 120.371 119.800 -0.059 0.000 2.046 340 Q HA -0.208 4.131 4.340 -0.001 0.000 0.200 340 Q C 2.320 178.360 176.000 0.067 0.000 0.975 340 Q CA 1.429 57.239 55.803 0.012 0.000 0.836 340 Q CB -0.114 28.616 28.738 -0.013 0.000 0.896 340 Q HN 0.297 nan 8.270 nan 0.000 0.428 341 R N -0.731 119.744 120.500 -0.042 0.000 2.094 341 R HA -0.210 4.129 4.340 -0.001 0.000 0.239 341 R C 2.011 178.430 176.300 0.198 0.000 1.137 341 R CA 1.950 58.052 56.100 0.002 0.000 0.943 341 R CB -0.365 29.835 30.300 -0.167 0.000 0.850 341 R HN 0.338 nan 8.270 nan 0.000 0.433 342 Y N -0.196 120.186 120.300 0.136 0.000 2.163 342 Y HA -0.189 4.361 4.550 -0.001 0.000 0.288 342 Y C 2.564 178.609 175.900 0.241 0.000 1.136 342 Y CA 1.175 59.373 58.100 0.163 0.000 1.147 342 Y CB -1.435 37.100 38.460 0.125 0.000 0.987 342 Y HN 0.318 nan 8.280 nan 0.000 0.509 343 H N 0.598 119.831 119.070 0.272 0.000 2.319 343 H HA -0.150 4.405 4.556 -0.001 0.000 0.299 343 H C 1.042 176.482 175.328 0.186 0.000 1.092 343 H CA 2.030 58.193 56.048 0.190 0.000 1.302 343 H CB -0.093 29.742 29.762 0.122 0.000 1.373 343 H HN 0.245 nan 8.280 nan 0.000 0.497 344 D N -0.015 120.586 120.400 0.336 0.000 2.178 344 D HA -0.124 4.515 4.640 -0.001 0.000 0.202 344 D C 2.085 178.497 176.300 0.186 0.000 0.974 344 D CA 0.717 54.868 54.000 0.251 0.000 0.841 344 D CB -0.724 40.219 40.800 0.238 0.000 0.953 344 D HN 0.397 nan 8.370 nan 0.000 0.478 345 F N 1.655 121.673 119.950 0.112 0.000 2.102 345 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 345 F C 2.126 177.958 175.800 0.053 0.000 1.105 345 F CA 1.640 59.709 58.000 0.115 0.000 1.239 345 F CB -0.387 38.704 39.000 0.152 0.000 0.991 345 F HN -0.053 nan 8.300 nan 0.000 0.474 346 A N 0.568 123.299 122.820 -0.150 0.000 1.865 346 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 346 A C 2.306 179.721 177.584 -0.283 0.000 1.191 346 A CA 2.468 54.318 52.037 -0.312 0.000 0.623 346 A CB -1.520 17.405 19.000 -0.126 0.000 0.826 346 A HN 0.321 nan 8.150 nan 0.000 0.444 347 V N 0.139 119.925 119.914 -0.212 0.000 2.332 347 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 347 V C 2.681 178.740 176.094 -0.060 0.000 1.055 347 V CA 2.444 64.662 62.300 -0.137 0.000 1.038 347 V CB -0.913 30.857 31.823 -0.089 0.000 0.651 347 V HN 0.652 nan 8.190 nan 0.000 0.450 348 R N 0.281 120.748 120.500 -0.055 0.000 2.081 348 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 348 R C 2.265 178.553 176.300 -0.020 0.000 1.131 348 R CA 1.557 57.663 56.100 0.009 0.000 0.960 348 R CB -0.489 29.840 30.300 0.049 0.000 0.856 348 R HN 0.475 nan 8.270 nan 0.000 0.436 349 Q N -0.005 119.675 119.800 -0.199 0.000 2.083 349 Q HA -0.032 4.307 4.340 -0.001 0.000 0.198 349 Q C 2.026 177.996 176.000 -0.051 0.000 0.969 349 Q CA 1.028 56.710 55.803 -0.201 0.000 0.838 349 Q CB -0.137 28.327 28.738 -0.456 0.000 0.900 349 Q HN 0.341 nan 8.270 nan 0.000 0.436 350 I N 1.460 121.997 120.570 -0.055 0.000 2.252 350 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 350 I C 1.627 177.775 176.117 0.053 0.000 1.102 350 I CA 0.940 62.265 61.300 0.041 0.000 1.385 350 I CB -1.174 36.806 38.000 -0.034 0.000 1.064 350 I HN 0.174 nan 8.210 nan 0.000 0.414 351 N N 0.473 119.197 118.700 0.039 0.000 2.166 351 N HA -0.237 4.503 4.740 -0.001 0.000 0.186 351 N C 1.857 177.283 175.510 -0.140 0.000 1.019 351 N CA 1.006 54.022 53.050 -0.056 0.000 0.856 351 N CB -0.644 37.964 38.487 0.202 0.000 0.993 351 N HN 0.372 nan 8.380 nan 0.000 0.426 352 Y N 1.311 121.565 120.300 -0.077 0.000 2.181 352 Y HA -0.132 4.417 4.550 -0.001 0.000 0.288 352 Y C 2.196 178.086 175.900 -0.017 0.000 1.146 352 Y CA 1.693 59.773 58.100 -0.033 0.000 1.164 352 Y CB -0.518 37.928 38.460 -0.022 0.000 0.982 352 Y HN 0.079 nan 8.280 nan 0.000 0.515 353 A N -0.090 122.862 122.820 0.220 0.000 1.969 353 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 353 A C 2.091 179.700 177.584 0.042 0.000 1.169 353 A CA 1.612 53.756 52.037 0.178 0.000 0.635 353 A CB -0.980 18.071 19.000 0.086 0.000 0.810 353 A HN 0.537 nan 8.150 nan 0.000 0.445 354 L N -1.945 119.185 121.223 -0.155 0.000 2.554 354 L HA 0.214 4.553 4.340 -0.001 0.000 0.226 354 L C 1.685 178.271 176.870 -0.473 0.000 1.137 354 L CA 0.657 55.321 54.840 -0.293 0.000 0.863 354 L CB 0.063 41.810 42.059 -0.520 0.000 0.985 354 L HN 0.582 nan 8.230 nan 0.000 0.451 355 G N -1.000 107.536 108.800 -0.440 0.000 2.738 355 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.195 355 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.195 355 G C 0.019 174.857 174.900 -0.105 0.000 1.001 355 G CA -0.365 44.596 45.100 -0.232 0.000 0.759 355 G HN 0.204 nan 8.290 nan 0.000 0.494 356 D N 2.033 122.380 120.400 -0.089 0.000 2.545 356 D HA 0.439 5.078 4.640 -0.001 0.000 0.227 356 D C 0.508 176.721 176.300 -0.146 0.000 1.150 356 D CA 0.174 54.225 54.000 0.085 0.000 1.046 356 D CB -0.692 40.273 40.800 0.276 0.000 1.098 356 D HN 0.690 nan 8.370 nan 0.000 0.502 357 N N -0.286 118.269 118.700 -0.242 0.000 2.853 357 N HA 0.446 5.186 4.740 -0.001 0.000 0.258 357 N C -2.527 172.901 175.510 -0.137 0.000 1.444 357 N CA -1.323 51.505 53.050 -0.371 0.000 0.837 357 N CB 0.676 38.588 38.487 -0.958 0.000 1.489 357 N HN -0.286 nan 8.380 nan 0.000 0.529 358 P HA 0.003 nan 4.420 nan 0.000 0.222 358 P C 0.507 177.797 177.300 -0.017 0.000 1.147 358 P CA 1.052 64.154 63.100 0.002 0.000 0.790 358 P CB 0.210 31.942 31.700 0.053 0.000 0.780 359 R N -1.698 118.774 120.500 -0.047 0.000 2.280 359 R HA 0.144 4.483 4.340 -0.001 0.000 0.195 359 R C 0.574 176.816 176.300 -0.096 0.000 0.935 359 R CA 0.060 56.128 56.100 -0.054 0.000 1.033 359 R CB -0.483 29.790 30.300 -0.045 0.000 0.964 359 R HN 0.150 nan 8.270 nan 0.000 0.489 360 N N 0.586 119.217 118.700 -0.114 0.000 2.741 360 N HA -0.141 4.598 4.740 -0.001 0.000 0.251 360 N C -1.264 174.164 175.510 -0.137 0.000 1.112 360 N CA 0.638 53.631 53.050 -0.095 0.000 0.750 360 N CB -0.379 38.074 38.487 -0.057 0.000 1.119 360 N HN 0.086 nan 8.380 nan 0.000 0.561 361 S N -0.355 115.200 115.700 -0.243 0.000 2.526 361 S HA 0.372 4.842 4.470 -0.001 0.000 0.293 361 S C -0.145 174.159 174.600 -0.494 0.000 1.092 361 S CA -0.572 57.433 58.200 -0.324 0.000 0.980 361 S CB 2.431 65.427 63.200 -0.341 0.000 1.048 361 S HN 0.280 nan 8.310 nan 0.000 0.483 362 S N 0.745 116.234 115.700 -0.351 0.000 2.576 362 S HA 0.260 4.729 4.470 -0.001 0.000 0.276 362 S C -0.511 173.809 174.600 -0.467 0.000 1.339 362 S CA -0.010 58.027 58.200 -0.272 0.000 1.039 362 S CB 0.066 63.243 63.200 -0.039 0.000 0.902 362 S HN 0.648 nan 8.310 nan 0.000 0.516 363 Y N 2.447 122.658 120.300 -0.148 0.000 2.636 363 Y HA 0.373 4.923 4.550 -0.001 0.000 0.260 363 Y C -0.114 175.681 175.900 -0.176 0.000 1.177 363 Y CA -0.293 57.671 58.100 -0.226 0.000 1.209 363 Y CB 0.622 38.916 38.460 -0.276 0.000 1.166 363 Y HN 0.349 nan 8.280 nan 0.000 0.531 364 V N 1.203 121.125 119.914 0.014 0.000 2.357 364 V HA 0.244 4.363 4.120 -0.001 0.000 0.284 364 V C 0.154 176.299 176.094 0.086 0.000 1.018 364 V CA -1.405 60.905 62.300 0.017 0.000 0.841 364 V CB 1.289 33.158 31.823 0.077 0.000 0.991 364 V HN -0.130 nan 8.190 nan 0.000 0.437 365 V N 4.634 124.571 119.914 0.038 0.000 2.720 365 V HA 0.265 4.384 4.120 -0.001 0.000 0.307 365 V C 1.580 177.740 176.094 0.111 0.000 1.071 365 V CA 1.488 63.815 62.300 0.045 0.000 1.199 365 V CB 0.280 32.110 31.823 0.013 0.000 0.900 365 V HN 1.325 nan 8.190 nan 0.000 0.494 366 G N 3.746 112.585 108.800 0.064 0.000 2.168 366 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.257 366 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.257 366 G C -0.352 174.754 174.900 0.343 0.000 0.997 366 G CA 0.672 45.863 45.100 0.151 0.000 0.708 366 G HN 1.001 nan 8.290 nan 0.000 0.520 367 F N 0.099 120.099 119.950 0.083 0.000 2.578 367 F HA 0.607 5.133 4.527 -0.001 0.000 0.311 367 F C 0.869 176.675 175.800 0.010 0.000 1.094 367 F CA 0.837 58.870 58.000 0.054 0.000 0.923 367 F CB 1.443 40.474 39.000 0.051 0.000 1.230 367 F HN 1.230 nan 8.300 nan 0.000 0.450 368 G N 4.140 112.267 108.800 -1.123 0.000 2.575 368 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.267 368 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.267 368 G C -0.970 173.743 174.900 -0.312 0.000 1.264 368 G CA 0.047 44.688 45.100 -0.765 0.000 0.935 368 G HN 1.055 nan 8.290 nan 0.000 0.568 369 N N 1.102 119.681 118.700 -0.203 0.000 2.444 369 N HA 0.350 5.090 4.740 -0.001 0.000 0.271 369 N C 0.731 176.163 175.510 -0.130 0.000 1.069 369 N CA 0.797 53.765 53.050 -0.137 0.000 0.965 369 N CB 0.238 38.665 38.487 -0.100 0.000 1.092 369 N HN 1.000 nan 8.380 nan 0.000 0.476 370 N N 1.915 120.554 118.700 -0.103 0.000 2.688 370 N HA -0.137 4.603 4.740 -0.001 0.000 0.258 370 N C -2.390 173.053 175.510 -0.111 0.000 1.016 370 N CA -0.346 52.649 53.050 -0.091 0.000 0.747 370 N CB -0.162 38.271 38.487 -0.089 0.000 0.895 370 N HN 0.467 nan 8.380 nan 0.000 0.543 371 P HA 0.280 nan 4.420 nan 0.000 0.274 371 P C -2.642 174.637 177.300 -0.034 0.000 1.256 371 P CA -0.945 62.106 63.100 -0.081 0.000 0.795 371 P CB 0.097 31.783 31.700 -0.024 0.000 1.038 372 P HA 0.200 nan 4.420 nan 0.000 0.268 372 P C 0.655 177.980 177.300 0.040 0.000 1.205 372 P CA 0.228 63.379 63.100 0.085 0.000 0.771 372 P CB 0.430 32.219 31.700 0.148 0.000 0.858 373 R N 1.368 121.890 120.500 0.037 0.000 2.316 373 R HA 0.181 4.520 4.340 -0.001 0.000 0.201 373 R C -0.047 176.256 176.300 0.004 0.000 0.888 373 R CA 0.228 56.330 56.100 0.003 0.000 1.041 373 R CB 0.321 30.617 30.300 -0.007 0.000 1.115 373 R HN 0.407 nan 8.270 nan 0.000 0.559 374 N N 1.952 120.667 118.700 0.024 0.000 2.818 374 N HA 0.193 4.932 4.740 -0.001 0.000 0.301 374 N C -2.709 172.839 175.510 0.063 0.000 1.821 374 N CA -1.245 51.814 53.050 0.015 0.000 0.930 374 N CB 1.266 39.735 38.487 -0.030 0.000 1.263 374 N HN 0.079 nan 8.380 nan 0.000 0.487 375 P HA -0.054 nan 4.420 nan 0.000 0.269 375 P C -0.131 177.314 177.300 0.242 0.000 1.215 375 P CA 0.082 63.285 63.100 0.172 0.000 0.780 375 P CB 0.783 32.568 31.700 0.143 0.000 0.898 376 H N 2.281 121.474 119.070 0.205 0.000 3.356 376 H HA 0.072 4.627 4.556 -0.001 0.000 0.260 376 H C -0.304 175.235 175.328 0.352 0.000 1.570 376 H CA 0.469 56.694 56.048 0.296 0.000 1.547 376 H CB -1.059 28.861 29.762 0.263 0.000 1.774 376 H HN 0.312 nan 8.280 nan 0.000 0.542 377 H N 3.997 123.140 119.070 0.121 0.000 2.934 377 H HA 0.184 4.740 4.556 -0.001 0.000 0.340 377 H C 0.550 175.743 175.328 -0.224 0.000 1.008 377 H CA -0.622 55.408 56.048 -0.031 0.000 1.317 377 H CB 0.885 30.704 29.762 0.095 0.000 1.670 377 H HN 0.646 nan 8.280 nan 0.000 0.516 378 R N 1.283 121.276 120.500 -0.844 0.000 2.082 378 R HA -0.114 4.225 4.340 -0.001 0.000 0.234 378 R C 1.580 177.669 176.300 -0.351 0.000 1.136 378 R CA 2.489 57.965 56.100 -1.040 0.000 0.935 378 R CB -0.106 29.454 30.300 -1.234 0.000 0.842 378 R HN 0.500 nan 8.270 nan 0.000 0.430 379 T N 0.618 115.108 114.554 -0.106 0.000 2.821 379 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 379 T C 1.903 176.796 174.700 0.321 0.000 1.046 379 T CA 1.215 63.434 62.100 0.199 0.000 1.139 379 T CB -0.191 68.888 68.868 0.353 0.000 0.871 379 T HN 0.379 nan 8.240 nan 0.000 0.454 380 A N 0.920 124.015 122.820 0.458 0.000 1.930 380 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 380 A C 2.064 179.661 177.584 0.022 0.000 1.175 380 A CA 1.592 53.647 52.037 0.029 0.000 0.627 380 A CB -0.883 18.117 19.000 0.000 0.000 0.815 380 A HN 0.726 nan 8.150 nan 0.000 0.443 381 H N -0.818 118.260 119.070 0.014 0.000 2.299 381 H HA 0.052 4.607 4.556 -0.001 0.000 0.302 381 H C 1.501 176.775 175.328 -0.091 0.000 1.078 381 H CA 1.034 57.079 56.048 -0.005 0.000 1.323 381 H CB -0.177 29.693 29.762 0.181 0.000 1.381 381 H HN 0.614 nan 8.280 nan 0.000 0.498 382 G N 0.992 109.714 108.800 -0.130 0.000 2.182 382 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.248 382 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.248 382 G C 0.101 174.875 174.900 -0.210 0.000 1.042 382 G CA 0.713 45.706 45.100 -0.178 0.000 0.775 382 G HN 0.608 nan 8.290 nan 0.000 0.501 383 S N -0.766 114.700 115.700 -0.390 0.000 2.562 383 S HA 0.417 4.886 4.470 -0.001 0.000 0.281 383 S C 1.109 175.628 174.600 -0.134 0.000 1.333 383 S CA 0.802 58.750 58.200 -0.419 0.000 1.052 383 S CB 0.191 63.236 63.200 -0.258 0.000 0.884 383 S HN 1.242 nan 8.310 nan 0.000 0.506 384 W N 2.360 123.540 121.300 -0.199 0.000 2.870 384 W HA 0.334 4.993 4.660 -0.002 0.000 0.358 384 W C 0.803 177.189 176.519 -0.221 0.000 1.043 384 W CA 0.116 57.355 57.345 -0.177 0.000 1.692 384 W CB -0.756 28.584 29.460 -0.199 0.000 1.100 384 W HN 0.648 nan 8.180 nan 0.000 0.557 385 T N -3.048 111.253 114.554 -0.420 0.000 3.200 385 T HA 0.129 4.479 4.350 -0.001 0.000 0.284 385 T C 0.333 174.952 174.700 -0.135 0.000 1.009 385 T CA 0.303 62.232 62.100 -0.284 0.000 0.907 385 T CB -0.404 68.205 68.868 -0.431 0.000 1.120 385 T HN 0.047 nan 8.240 nan 0.000 0.534 386 D N 0.871 121.201 120.400 -0.118 0.000 2.723 386 D HA -0.176 4.464 4.640 -0.001 0.000 0.236 386 D C -0.460 175.807 176.300 -0.055 0.000 1.138 386 D CA 1.028 54.971 54.000 -0.094 0.000 0.676 386 D CB -1.423 39.406 40.800 0.048 0.000 1.069 386 D HN 0.625 nan 8.370 nan 0.000 0.430 387 S N -0.192 115.455 115.700 -0.088 0.000 2.614 387 S HA 0.473 4.942 4.470 -0.001 0.000 0.288 387 S C 0.749 175.186 174.600 -0.271 0.000 1.137 387 S CA -0.719 57.381 58.200 -0.167 0.000 0.992 387 S CB 1.197 64.287 63.200 -0.184 0.000 1.026 387 S HN 0.267 nan 8.310 nan 0.000 0.486 388 I N 4.508 124.701 120.570 -0.629 0.000 2.830 388 I HA 0.077 4.246 4.170 -0.001 0.000 0.263 388 I C 1.850 177.675 176.117 -0.488 0.000 1.230 388 I CA 1.254 61.910 61.300 -1.074 0.000 1.480 388 I CB -0.144 37.038 38.000 -1.363 0.000 1.095 388 I HN 0.790 nan 8.210 nan 0.000 0.455 389 A N -0.671 121.977 122.820 -0.286 0.000 2.081 389 A HA 0.197 4.516 4.320 -0.001 0.000 0.214 389 A C 0.969 178.494 177.584 -0.099 0.000 1.158 389 A CA 0.360 52.285 52.037 -0.186 0.000 0.724 389 A CB -0.033 18.868 19.000 -0.164 0.000 0.826 389 A HN 0.378 nan 8.150 nan 0.000 0.463 390 S N 0.964 116.608 115.700 -0.092 0.000 2.521 390 S HA 0.558 5.028 4.470 -0.001 0.000 0.295 390 S C -2.935 171.447 174.600 -0.364 0.000 1.098 390 S CA -1.177 56.907 58.200 -0.193 0.000 0.999 390 S CB 2.356 65.356 63.200 -0.333 0.000 1.034 390 S HN 0.221 nan 8.310 nan 0.000 0.483 391 P HA 0.235 nan 4.420 nan 0.000 0.274 391 P C 0.530 177.876 177.300 0.077 0.000 1.256 391 P CA -0.333 62.688 63.100 -0.132 0.000 0.795 391 P CB 0.603 32.262 31.700 -0.069 0.000 1.038 392 A N 0.992 123.825 122.820 0.021 0.000 1.883 392 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 392 A C 1.047 178.645 177.584 0.023 0.000 1.186 392 A CA 1.540 53.582 52.037 0.009 0.000 0.624 392 A CB -0.715 18.279 19.000 -0.011 0.000 0.822 392 A HN 0.571 nan 8.150 nan 0.000 0.444 393 E N 0.575 120.802 120.200 0.045 0.000 2.222 393 E HA 0.284 4.633 4.350 -0.001 0.000 0.272 393 E C -1.050 175.608 176.600 0.097 0.000 0.982 393 E CA -0.944 55.478 56.400 0.038 0.000 0.842 393 E CB 0.434 30.145 29.700 0.018 0.000 1.144 393 E HN 0.271 nan 8.360 nan 0.000 0.397 394 N N 0.995 119.740 118.700 0.076 0.000 2.454 394 N HA -0.001 4.738 4.740 -0.001 0.000 0.254 394 N C 0.949 176.421 175.510 -0.064 0.000 1.228 394 N CA 0.253 53.360 53.050 0.095 0.000 0.900 394 N CB 0.514 39.011 38.487 0.017 0.000 1.089 394 N HN 0.282 nan 8.380 nan 0.000 0.449 395 R N 0.815 121.176 120.500 -0.231 0.000 2.236 395 R HA 0.047 4.386 4.340 -0.001 0.000 0.208 395 R C -0.067 175.833 176.300 -0.666 0.000 1.036 395 R CA 0.777 56.619 56.100 -0.431 0.000 1.001 395 R CB 0.017 29.926 30.300 -0.651 0.000 0.896 395 R HN 0.582 nan 8.270 nan 0.000 0.464 396 H N -1.058 117.769 119.070 -0.404 0.000 2.797 396 H HA 0.292 4.848 4.556 -0.001 0.000 0.372 396 H C -0.792 174.243 175.328 -0.488 0.000 1.168 396 H CA -1.013 54.627 56.048 -0.681 0.000 1.163 396 H CB 1.954 30.672 29.762 -1.741 0.000 1.778 396 H HN -0.263 nan 8.280 nan 0.000 0.551 397 V N 2.976 122.742 119.914 -0.247 0.000 2.333 397 V HA 0.031 4.150 4.120 -0.001 0.000 0.274 397 V C 0.474 176.490 176.094 -0.129 0.000 1.028 397 V CA -0.607 61.513 62.300 -0.300 0.000 0.851 397 V CB 1.064 32.520 31.823 -0.612 0.000 1.000 397 V HN 0.406 nan 8.190 nan 0.000 0.456 398 L N 7.453 128.671 121.223 -0.008 0.000 2.437 398 L HA 0.357 4.696 4.340 -0.001 0.000 0.243 398 L C -0.131 176.924 176.870 0.308 0.000 1.346 398 L CA 0.001 55.014 54.840 0.288 0.000 1.233 398 L CB -1.071 41.061 42.059 0.122 0.000 1.436 398 L HN 0.519 nan 8.230 nan 0.000 0.416 399 Y N 2.301 122.871 120.300 0.450 0.000 2.881 399 Y HA 0.249 4.798 4.550 -0.001 0.000 0.335 399 Y C 1.735 177.864 175.900 0.381 0.000 1.263 399 Y CA 1.280 59.583 58.100 0.338 0.000 1.572 399 Y CB 0.116 38.700 38.460 0.206 0.000 1.237 399 Y HN 0.685 nan 8.280 nan 0.000 0.568 400 G N 1.140 110.160 108.800 0.366 0.000 2.241 400 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.244 400 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.244 400 G C 0.330 175.194 174.900 -0.060 0.000 0.998 400 G CA -0.252 44.977 45.100 0.215 0.000 0.621 400 G HN 1.118 nan 8.290 nan 0.000 0.519 401 A N 0.440 123.124 122.820 -0.227 0.000 2.492 401 A HA 0.636 4.955 4.320 -0.001 0.000 0.254 401 A C 0.255 177.610 177.584 -0.381 0.000 1.091 401 A CA 0.333 51.964 52.037 -0.677 0.000 0.768 401 A CB 0.618 19.265 19.000 -0.589 0.000 1.028 401 A HN 1.496 nan 8.150 nan 0.000 0.498 402 L N 5.194 126.147 121.223 -0.450 0.000 2.281 402 L HA 0.491 4.830 4.340 -0.001 0.000 0.285 402 L C 0.364 177.162 176.870 -0.120 0.000 1.074 402 L CA -0.064 54.550 54.840 -0.378 0.000 0.817 402 L CB 0.975 42.644 42.059 -0.651 0.000 1.168 402 L HN 0.698 nan 8.230 nan 0.000 0.434 403 V N 3.057 122.945 119.914 -0.043 0.000 3.336 403 V HA 0.582 4.701 4.120 -0.001 0.000 0.304 403 V C 1.350 177.484 176.094 0.066 0.000 1.073 403 V CA 0.291 62.656 62.300 0.109 0.000 1.074 403 V CB 0.446 32.364 31.823 0.159 0.000 1.161 403 V HN 0.822 nan 8.190 nan 0.000 0.460 404 G N 0.049 108.962 108.800 0.188 0.000 2.440 404 G HA2 0.345 4.304 3.960 -0.001 0.000 0.218 404 G HA3 0.345 4.304 3.960 -0.001 0.000 0.218 404 G C 1.083 175.901 174.900 -0.138 0.000 1.154 404 G CA 1.008 46.128 45.100 0.032 0.000 0.767 404 G HN 2.169 nan 8.290 nan 0.000 0.552 405 G N -0.657 108.087 108.800 -0.094 0.000 2.681 405 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.220 405 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.220 405 G C -2.778 172.039 174.900 -0.137 0.000 1.353 405 G CA -0.409 44.487 45.100 -0.340 0.000 0.872 405 G HN 0.394 nan 8.290 nan 0.000 0.557 406 P HA 0.293 nan 4.420 nan 0.000 0.262 406 P C 0.996 178.223 177.300 -0.121 0.000 1.199 406 P CA 1.040 64.100 63.100 -0.067 0.000 0.763 406 P CB 0.604 32.267 31.700 -0.063 0.000 0.790 407 G N 1.959 110.692 108.800 -0.112 0.000 2.880 407 G HA2 0.027 3.987 3.960 -0.001 0.000 0.209 407 G HA3 0.027 3.987 3.960 -0.001 0.000 0.209 407 G C 0.256 175.066 174.900 -0.151 0.000 1.157 407 G CA 0.202 45.203 45.100 -0.165 0.000 0.779 407 G HN 0.470 nan 8.290 nan 0.000 0.539 408 S N 0.094 115.725 115.700 -0.115 0.000 2.599 408 S HA 0.507 4.976 4.470 -0.001 0.000 0.294 408 S C -2.648 171.899 174.600 -0.089 0.000 1.094 408 S CA -0.970 57.170 58.200 -0.099 0.000 0.931 408 S CB 2.690 65.843 63.200 -0.078 0.000 1.093 408 S HN -0.019 nan 8.310 nan 0.000 0.488 409 P HA 0.180 nan 4.420 nan 0.000 0.225 409 P C -0.497 176.787 177.300 -0.027 0.000 1.768 409 P CA 0.044 63.099 63.100 -0.074 0.000 0.943 409 P CB -0.827 30.827 31.700 -0.078 0.000 1.936 410 N N -0.560 118.133 118.700 -0.011 0.000 2.143 410 N HA -0.017 4.723 4.740 -0.001 0.000 0.229 410 N C 0.129 175.673 175.510 0.056 0.000 1.294 410 N CA -0.341 52.721 53.050 0.018 0.000 0.883 410 N CB -0.457 38.033 38.487 0.006 0.000 1.148 410 N HN -0.135 nan 8.380 nan 0.000 0.511 411 D N -0.802 119.645 120.400 0.079 0.000 3.077 411 D HA -0.194 4.445 4.640 -0.001 0.000 0.217 411 D C -0.241 176.157 176.300 0.163 0.000 1.162 411 D CA 1.232 55.330 54.000 0.162 0.000 0.943 411 D CB -1.399 39.517 40.800 0.193 0.000 1.122 411 D HN 0.639 nan 8.370 nan 0.000 0.413 412 A N 0.233 123.122 122.820 0.115 0.000 2.363 412 A HA 0.540 4.859 4.320 -0.001 0.000 0.270 412 A C -0.472 177.234 177.584 0.204 0.000 1.121 412 A CA -0.151 51.958 52.037 0.120 0.000 0.800 412 A CB 0.787 19.817 19.000 0.050 0.000 1.052 412 A HN 0.327 nan 8.150 nan 0.000 0.493 413 Y N 0.511 120.845 120.300 0.057 0.000 2.474 413 Y HA 0.499 5.048 4.550 -0.001 0.000 0.326 413 Y C -0.853 175.073 175.900 0.044 0.000 1.160 413 Y CA -0.250 57.894 58.100 0.073 0.000 1.056 413 Y CB 1.551 40.140 38.460 0.215 0.000 1.330 413 Y HN 0.616 nan 8.280 nan 0.000 0.447 414 T N 4.891 118.979 114.554 -0.777 0.000 2.841 414 T HA 0.150 4.499 4.350 -0.001 0.000 0.285 414 T C -1.474 172.665 174.700 -0.934 0.000 0.991 414 T CA -0.617 61.102 62.100 -0.635 0.000 0.966 414 T CB 1.024 69.702 68.868 -0.317 0.000 0.962 414 T HN 0.585 nan 8.240 nan 0.000 0.438 415 D N 3.100 123.138 120.400 -0.605 0.000 2.441 415 D HA 0.139 4.778 4.640 -0.001 0.000 0.243 415 D C -0.664 175.525 176.300 -0.184 0.000 1.257 415 D CA -0.015 53.811 54.000 -0.290 0.000 1.027 415 D CB 0.083 40.879 40.800 -0.007 0.000 1.084 415 D HN 0.318 nan 8.370 nan 0.000 0.514 416 D N 1.993 122.276 120.400 -0.195 0.000 2.549 416 D HA 0.151 4.791 4.640 -0.001 0.000 0.251 416 D C 0.929 177.185 176.300 -0.073 0.000 1.153 416 D CA -0.641 53.277 54.000 -0.136 0.000 0.861 416 D CB 1.145 41.845 40.800 -0.166 0.000 1.207 416 D HN 0.243 nan 8.370 nan 0.000 0.543 417 R N 2.497 122.959 120.500 -0.064 0.000 2.159 417 R HA -0.108 4.231 4.340 -0.001 0.000 0.237 417 R C 1.208 177.537 176.300 0.048 0.000 1.131 417 R CA 1.505 57.596 56.100 -0.016 0.000 0.982 417 R CB 0.241 30.448 30.300 -0.155 0.000 0.868 417 R HN 0.536 nan 8.270 nan 0.000 0.453 418 Q N -0.207 119.561 119.800 -0.052 0.000 2.472 418 Q HA -0.057 4.282 4.340 -0.001 0.000 0.208 418 Q C -0.310 175.669 176.000 -0.035 0.000 0.958 418 Q CA 0.179 55.964 55.803 -0.029 0.000 0.932 418 Q CB 0.280 28.954 28.738 -0.106 0.000 1.007 418 Q HN 0.162 nan 8.270 nan 0.000 0.508 419 D N 0.114 120.460 120.400 -0.090 0.000 2.468 419 D HA -0.016 4.623 4.640 -0.001 0.000 0.218 419 D C 0.271 176.461 176.300 -0.183 0.000 1.155 419 D CA -0.541 53.320 54.000 -0.232 0.000 0.924 419 D CB 0.224 40.900 40.800 -0.206 0.000 1.029 419 D HN 0.199 nan 8.370 nan 0.000 0.515 420 Y N 1.704 121.943 120.300 -0.102 0.000 2.632 420 Y HA 0.067 4.616 4.550 -0.001 0.000 0.301 420 Y C 1.291 177.216 175.900 0.042 0.000 1.172 420 Y CA -0.169 57.805 58.100 -0.211 0.000 1.328 420 Y CB -0.532 37.736 38.460 -0.320 0.000 1.016 420 Y HN 0.127 nan 8.280 nan 0.000 0.529 421 V N 0.609 120.489 119.914 -0.057 0.000 2.398 421 V HA -0.022 4.097 4.120 -0.001 0.000 0.236 421 V C 2.620 178.746 176.094 0.053 0.000 1.054 421 V CA 1.441 63.741 62.300 -0.000 0.000 1.060 421 V CB -1.050 30.583 31.823 -0.316 0.000 0.707 421 V HN 0.449 nan 8.190 nan 0.000 0.480 422 A N 0.256 123.076 122.820 0.001 0.000 1.898 422 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 422 A C 1.743 179.484 177.584 0.262 0.000 1.181 422 A CA 2.119 54.239 52.037 0.138 0.000 0.620 422 A CB -0.542 18.512 19.000 0.090 0.000 0.819 422 A HN 0.572 nan 8.150 nan 0.000 0.442 423 N N -0.240 118.573 118.700 0.188 0.000 2.235 423 N HA 0.153 4.893 4.740 -0.001 0.000 0.209 423 N C -0.032 175.632 175.510 0.257 0.000 1.122 423 N CA 0.024 53.217 53.050 0.238 0.000 0.845 423 N CB 0.156 38.755 38.487 0.187 0.000 1.004 423 N HN 0.593 nan 8.380 nan 0.000 0.499 424 E N 0.721 121.075 120.200 0.257 0.000 2.373 424 E HA 0.234 4.583 4.350 -0.001 0.000 0.267 424 E C -0.410 176.317 176.600 0.212 0.000 1.032 424 E CA -0.479 56.068 56.400 0.244 0.000 0.889 424 E CB 0.691 30.552 29.700 0.268 0.000 0.984 424 E HN 0.029 nan 8.360 nan 0.000 0.425 425 V N 0.489 120.445 119.914 0.071 0.000 2.914 425 V HA 1.036 5.155 4.120 -0.001 0.000 0.314 425 V C -0.505 175.463 176.094 -0.210 0.000 1.084 425 V CA -0.443 61.828 62.300 -0.047 0.000 0.963 425 V CB 1.235 33.121 31.823 0.106 0.000 1.025 425 V HN 0.932 nan 8.190 nan 0.000 0.432 426 A N 1.451 124.117 122.820 -0.257 0.000 2.597 426 A HA 0.689 5.008 4.320 -0.001 0.000 0.292 426 A C 0.613 178.317 177.584 0.200 0.000 1.057 426 A CA 0.099 52.091 52.037 -0.076 0.000 0.674 426 A CB 0.936 19.706 19.000 -0.384 0.000 1.278 426 A HN 1.972 nan 8.150 nan 0.000 0.416 427 T N -1.328 113.381 114.554 0.259 0.000 2.759 427 T HA -0.199 4.150 4.350 -0.001 0.000 0.269 427 T C 1.199 176.165 174.700 0.443 0.000 1.042 427 T CA 2.264 64.551 62.100 0.311 0.000 1.140 427 T CB -0.572 68.469 68.868 0.289 0.000 0.864 427 T HN 0.830 nan 8.240 nan 0.000 0.455 428 D N -0.299 120.364 120.400 0.438 0.000 2.269 428 D HA -0.164 4.476 4.640 -0.001 0.000 0.208 428 D C 1.653 178.293 176.300 0.567 0.000 0.963 428 D CA 0.642 54.974 54.000 0.553 0.000 0.864 428 D CB -0.475 40.714 40.800 0.648 0.000 0.936 428 D HN 0.378 nan 8.370 nan 0.000 0.505 429 Y N 1.366 121.808 120.300 0.238 0.000 2.224 429 Y HA -0.068 4.482 4.550 -0.001 0.000 0.289 429 Y C 1.772 177.717 175.900 0.075 0.000 1.146 429 Y CA 0.946 59.107 58.100 0.101 0.000 1.182 429 Y CB -0.770 37.688 38.460 -0.003 0.000 0.983 429 Y HN 0.038 nan 8.280 nan 0.000 0.524 430 N N -0.856 118.026 118.700 0.302 0.000 2.336 430 N HA 0.131 4.870 4.740 -0.001 0.000 0.189 430 N C 1.669 177.454 175.510 0.458 0.000 1.113 430 N CA 0.586 53.825 53.050 0.315 0.000 0.858 430 N CB 0.006 38.584 38.487 0.151 0.000 0.970 430 N HN 0.234 nan 8.380 nan 0.000 0.471 431 A N 0.319 123.392 122.820 0.421 0.000 1.825 431 A HA 0.054 4.373 4.320 -0.001 0.000 0.214 431 A C 2.283 179.936 177.584 0.116 0.000 1.206 431 A CA 1.739 53.941 52.037 0.276 0.000 0.609 431 A CB -1.294 17.848 19.000 0.238 0.000 0.851 431 A HN 0.305 nan 8.150 nan 0.000 0.445 432 G N -1.437 107.456 108.800 0.155 0.000 2.422 432 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 432 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 432 G C 1.461 176.373 174.900 0.019 0.000 1.146 432 G CA 1.174 46.307 45.100 0.056 0.000 0.769 432 G HN 0.422 nan 8.290 nan 0.000 0.547 433 F N 2.464 122.400 119.950 -0.024 0.000 2.065 433 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 433 F C 2.904 178.652 175.800 -0.086 0.000 1.112 433 F CA 1.916 59.887 58.000 -0.049 0.000 1.212 433 F CB -0.503 38.481 39.000 -0.027 0.000 0.975 433 F HN 0.166 nan 8.300 nan 0.000 0.476 434 S N -0.313 115.354 115.700 -0.055 0.000 2.359 434 S HA -0.201 4.268 4.470 -0.001 0.000 0.224 434 S C 2.199 176.622 174.600 -0.296 0.000 1.035 434 S CA 1.484 59.589 58.200 -0.159 0.000 1.018 434 S CB -0.661 62.605 63.200 0.109 0.000 0.876 434 S HN 0.442 nan 8.310 nan 0.000 0.448 435 S N 1.645 117.119 115.700 -0.378 0.000 2.382 435 S HA -0.056 4.413 4.470 -0.001 0.000 0.228 435 S C 2.245 176.562 174.600 -0.472 0.000 1.027 435 S CA 0.978 58.782 58.200 -0.660 0.000 0.991 435 S CB -0.506 61.715 63.200 -1.632 0.000 0.823 435 S HN 0.611 nan 8.310 nan 0.000 0.469 436 A N 1.530 124.152 122.820 -0.330 0.000 1.873 436 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 436 A C 2.106 179.531 177.584 -0.265 0.000 1.186 436 A CA 1.093 53.062 52.037 -0.115 0.000 0.616 436 A CB -0.755 18.187 19.000 -0.097 0.000 0.823 436 A HN 0.446 nan 8.150 nan 0.000 0.442 437 L N -0.680 120.290 121.223 -0.423 0.000 2.079 437 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 437 L C 3.092 179.752 176.870 -0.350 0.000 1.081 437 L CA 1.098 55.678 54.840 -0.433 0.000 0.752 437 L CB -0.593 41.150 42.059 -0.527 0.000 0.896 437 L HN 0.458 nan 8.230 nan 0.000 0.433 438 A N -0.213 122.364 122.820 -0.404 0.000 1.902 438 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 438 A C 2.348 179.815 177.584 -0.196 0.000 1.181 438 A CA 1.636 53.416 52.037 -0.427 0.000 0.623 438 A CB -0.355 18.298 19.000 -0.578 0.000 0.818 438 A HN 0.291 nan 8.150 nan 0.000 0.443 439 M N -0.502 119.026 119.600 -0.121 0.000 2.086 439 M HA -0.078 4.402 4.480 -0.001 0.000 0.261 439 M C 2.210 178.457 176.300 -0.087 0.000 1.067 439 M CA 1.326 56.599 55.300 -0.044 0.000 1.116 439 M CB -1.175 31.436 32.600 0.018 0.000 1.348 439 M HN 0.388 nan 8.290 nan 0.000 0.407 440 L N -0.416 120.704 121.223 -0.172 0.000 2.131 440 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 440 L C 2.523 179.354 176.870 -0.064 0.000 1.092 440 L CA 0.633 55.346 54.840 -0.213 0.000 0.759 440 L CB -0.752 40.870 42.059 -0.727 0.000 0.903 440 L HN 0.095 nan 8.230 nan 0.000 0.435 441 V N -0.091 119.790 119.914 -0.054 0.000 2.358 441 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 441 V C 2.484 178.599 176.094 0.034 0.000 1.047 441 V CA 1.885 64.218 62.300 0.054 0.000 1.035 441 V CB -0.416 31.401 31.823 -0.009 0.000 0.658 441 V HN 0.505 nan 8.190 nan 0.000 0.452 442 E N -0.026 120.164 120.200 -0.016 0.000 2.110 442 E HA -0.283 4.066 4.350 -0.001 0.000 0.193 442 E C 2.236 178.809 176.600 -0.045 0.000 0.988 442 E CA 1.695 58.087 56.400 -0.014 0.000 0.804 442 E CB 0.040 29.733 29.700 -0.010 0.000 0.745 442 E HN 0.744 nan 8.360 nan 0.000 0.458 443 E N -1.252 118.884 120.200 -0.107 0.000 2.102 443 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 443 E C 1.152 177.534 176.600 -0.362 0.000 0.971 443 E CA 0.607 56.834 56.400 -0.287 0.000 0.821 443 E CB 0.132 29.556 29.700 -0.460 0.000 0.777 443 E HN 0.318 nan 8.360 nan 0.000 0.460 444 Y N -0.451 119.901 120.300 0.086 0.000 2.442 444 Y HA 0.322 4.871 4.550 -0.001 0.000 0.250 444 Y C 1.095 177.084 175.900 0.149 0.000 1.113 444 Y CA 0.329 58.518 58.100 0.149 0.000 1.273 444 Y CB 1.105 39.731 38.460 0.277 0.000 1.138 444 Y HN 0.223 nan 8.280 nan 0.000 0.522 445 G N 0.157 109.101 108.800 0.241 0.000 2.593 445 G HA2 0.256 4.215 3.960 -0.001 0.000 0.237 445 G HA3 0.256 4.215 3.960 -0.001 0.000 0.237 445 G C 0.054 175.070 174.900 0.192 0.000 1.312 445 G CA -0.166 45.036 45.100 0.170 0.000 0.896 445 G HN 1.158 nan 8.290 nan 0.000 0.574 446 G N -3.171 105.699 108.800 0.116 0.000 2.335 446 G HA2 0.630 4.589 3.960 -0.001 0.000 0.592 446 G HA3 0.630 4.589 3.960 -0.001 0.000 0.592 446 G C -0.427 174.508 174.900 0.058 0.000 1.442 446 G CA 0.532 45.680 45.100 0.081 0.000 0.976 446 G HN 2.751 nan 8.290 nan 0.000 0.652 447 T N 0.150 114.727 114.554 0.039 0.000 2.848 447 T HA 0.827 5.177 4.350 -0.001 0.000 0.285 447 T C -2.536 172.179 174.700 0.025 0.000 0.995 447 T CA -1.567 60.554 62.100 0.034 0.000 0.970 447 T CB 2.879 71.764 68.868 0.028 0.000 0.976 447 T HN 0.602 nan 8.240 nan 0.000 0.441 448 P HA 0.273 nan 4.420 nan 0.000 0.274 448 P C -0.334 176.970 177.300 0.007 0.000 1.237 448 P CA -0.683 62.422 63.100 0.007 0.000 0.793 448 P CB 0.923 32.645 31.700 0.036 0.000 0.977 449 L N 1.471 122.678 121.223 -0.026 0.000 2.410 449 L HA 0.124 4.463 4.340 -0.001 0.000 0.273 449 L C 1.951 178.856 176.870 0.058 0.000 1.152 449 L CA -0.372 54.470 54.840 0.004 0.000 0.855 449 L CB 0.508 42.553 42.059 -0.023 0.000 1.129 449 L HN 0.462 nan 8.230 nan 0.000 0.463 450 A N 3.001 125.855 122.820 0.056 0.000 1.877 450 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 450 A C 0.841 178.475 177.584 0.083 0.000 1.186 450 A CA 1.475 53.553 52.037 0.068 0.000 0.620 450 A CB -0.297 18.733 19.000 0.050 0.000 0.822 450 A HN 0.840 nan 8.150 nan 0.000 0.443 451 D N -1.618 118.829 120.400 0.077 0.000 2.493 451 D HA 0.451 5.090 4.640 -0.001 0.000 0.235 451 D C -0.919 175.442 176.300 0.101 0.000 1.117 451 D CA -0.369 53.673 54.000 0.070 0.000 0.930 451 D CB 0.224 41.049 40.800 0.041 0.000 1.010 451 D HN 0.153 nan 8.370 nan 0.000 0.514 452 F N 2.014 121.916 119.950 -0.079 0.000 2.596 452 F HA 0.546 5.073 4.527 -0.001 0.000 0.311 452 F C -2.802 172.917 175.800 -0.135 0.000 1.116 452 F CA -1.818 56.081 58.000 -0.168 0.000 0.957 452 F CB 1.881 40.757 39.000 -0.206 0.000 1.250 452 F HN -0.056 nan 8.300 nan 0.000 0.444 453 P HA 0.455 nan 4.420 nan 0.000 0.281 453 P C -2.757 174.250 177.300 -0.489 0.000 1.249 453 P CA -1.240 61.048 63.100 -1.352 0.000 0.810 453 P CB 0.266 31.303 31.700 -1.104 0.000 1.008 454 P HA 0.180 nan 4.420 nan 0.000 0.275 454 P C -0.672 176.641 177.300 0.021 0.000 1.228 454 P CA -0.130 62.930 63.100 -0.067 0.000 0.786 454 P CB 0.314 32.035 31.700 0.034 0.000 0.927 455 T N 2.146 116.734 114.554 0.058 0.000 2.743 455 T HA 0.188 4.538 4.350 -0.001 0.000 0.293 455 T C 0.093 174.886 174.700 0.156 0.000 0.945 455 T CA -0.458 61.710 62.100 0.114 0.000 1.030 455 T CB 0.204 69.118 68.868 0.077 0.000 0.912 455 T HN 0.333 nan 8.240 nan 0.000 0.483 456 E N 2.540 122.903 120.200 0.271 0.000 2.349 456 E HA 0.257 4.606 4.350 -0.001 0.000 0.265 456 E C 0.241 176.887 176.600 0.077 0.000 1.064 456 E CA -0.557 56.013 56.400 0.283 0.000 0.886 456 E CB 0.853 30.914 29.700 0.601 0.000 1.036 456 E HN 0.707 nan 8.360 nan 0.000 0.413 457 E N 1.678 121.808 120.200 -0.116 0.000 2.212 457 E HA 0.457 4.806 4.350 -0.001 0.000 0.268 457 E C -2.638 173.485 176.600 -0.795 0.000 0.902 457 E CA -2.516 53.669 56.400 -0.359 0.000 0.779 457 E CB 1.162 30.744 29.700 -0.196 0.000 1.172 457 E HN 0.076 nan 8.360 nan 0.000 0.409 458 P HA -0.039 nan 4.420 nan 0.000 0.266 458 P C -0.190 176.652 177.300 -0.762 0.000 1.193 458 P CA 0.013 62.165 63.100 -1.579 0.000 0.770 458 P CB 0.423 31.637 31.700 -0.810 0.000 0.836 459 D N 0.730 120.803 120.400 -0.545 0.000 2.336 459 D HA 0.173 4.812 4.640 -0.001 0.000 0.229 459 D C 0.817 177.041 176.300 -0.126 0.000 1.061 459 D CA 0.133 54.042 54.000 -0.151 0.000 0.875 459 D CB -0.265 40.580 40.800 0.075 0.000 0.904 459 D HN 0.474 nan 8.370 nan 0.000 0.525 460 G N -0.607 108.082 108.800 -0.184 0.000 2.327 460 G HA2 0.296 4.255 3.960 -0.001 0.000 0.291 460 G HA3 0.296 4.255 3.960 -0.001 0.000 0.291 460 G C -3.012 171.783 174.900 -0.175 0.000 1.290 460 G CA -1.122 43.871 45.100 -0.178 0.000 0.857 460 G HN -0.017 nan 8.290 nan 0.000 0.520 461 P HA 0.313 nan 4.420 nan 0.000 0.271 461 P C 0.397 177.674 177.300 -0.037 0.000 1.220 461 P CA 0.113 63.117 63.100 -0.160 0.000 0.768 461 P CB 1.242 32.656 31.700 -0.478 0.000 0.848 462 E N 1.849 122.115 120.200 0.110 0.000 2.042 462 E HA 0.055 4.404 4.350 -0.001 0.000 0.189 462 E C 0.337 177.046 176.600 0.182 0.000 0.974 462 E CA 0.734 57.230 56.400 0.159 0.000 0.806 462 E CB 0.105 29.924 29.700 0.198 0.000 0.769 462 E HN 0.420 nan 8.360 nan 0.000 0.451 463 I N 1.628 122.304 120.570 0.178 0.000 2.389 463 I HA 0.301 4.470 4.170 -0.001 0.000 0.288 463 I C -0.867 175.260 176.117 0.017 0.000 0.999 463 I CA -0.809 60.519 61.300 0.046 0.000 1.129 463 I CB 0.899 38.936 38.000 0.062 0.000 1.288 463 I HN -0.016 nan 8.210 nan 0.000 0.444 464 F N 4.742 124.398 119.950 -0.489 0.000 2.789 464 F HA 0.804 5.330 4.527 -0.001 0.000 0.319 464 F C -1.649 173.631 175.800 -0.867 0.000 1.168 464 F CA -1.177 56.149 58.000 -1.123 0.000 0.934 464 F CB 0.886 38.840 39.000 -1.743 0.000 1.375 464 F HN -0.050 nan 8.300 nan 0.000 0.480 465 V N 0.919 120.278 119.914 -0.925 0.000 2.540 465 V HA 0.472 4.591 4.120 -0.001 0.000 0.302 465 V C -0.752 175.254 176.094 -0.146 0.000 1.035 465 V CA -0.702 61.331 62.300 -0.445 0.000 0.873 465 V CB 1.528 33.191 31.823 -0.266 0.000 0.992 465 V HN 0.769 nan 8.190 nan 0.000 0.428 466 E N 2.441 122.576 120.200 -0.108 0.000 2.202 466 E HA 0.850 5.200 4.350 -0.001 0.000 0.272 466 E C -0.444 176.180 176.600 0.040 0.000 0.951 466 E CA -0.607 55.816 56.400 0.038 0.000 0.813 466 E CB 2.485 32.213 29.700 0.047 0.000 1.151 466 E HN 0.859 nan 8.360 nan 0.000 0.398 467 A N 2.089 124.962 122.820 0.089 0.000 2.593 467 A HA 0.640 4.959 4.320 -0.001 0.000 0.290 467 A C -1.621 176.016 177.584 0.088 0.000 1.126 467 A CA -0.718 51.381 52.037 0.103 0.000 0.695 467 A CB 1.973 21.076 19.000 0.173 0.000 1.290 467 A HN 0.641 nan 8.150 nan 0.000 0.414 468 Q N -0.116 119.732 119.800 0.080 0.000 2.647 468 Q HA 0.607 4.946 4.340 -0.001 0.000 0.283 468 Q C -1.733 174.308 176.000 0.068 0.000 0.943 468 Q CA -0.789 55.053 55.803 0.064 0.000 0.813 468 Q CB 0.851 29.622 28.738 0.055 0.000 1.477 468 Q HN 0.605 nan 8.270 nan 0.000 0.393 469 I N 2.679 123.297 120.570 0.080 0.000 2.471 469 I HA 0.044 4.213 4.170 -0.001 0.000 0.286 469 I C 0.732 176.896 176.117 0.079 0.000 1.079 469 I CA -0.099 61.265 61.300 0.108 0.000 1.398 469 I CB 0.561 38.649 38.000 0.146 0.000 1.403 469 I HN 0.739 nan 8.210 nan 0.000 0.530 470 N N 3.673 122.411 118.700 0.065 0.000 2.182 470 N HA -0.001 4.738 4.740 -0.001 0.000 0.186 470 N C -0.110 175.448 175.510 0.080 0.000 1.036 470 N CA 1.059 54.143 53.050 0.056 0.000 0.850 470 N CB 0.474 38.977 38.487 0.027 0.000 1.010 470 N HN 0.599 nan 8.380 nan 0.000 0.432 471 T N 2.313 116.940 114.554 0.121 0.000 2.879 471 T HA 0.402 4.752 4.350 -0.001 0.000 0.290 471 T C -2.817 172.012 174.700 0.215 0.000 0.993 471 T CA -1.228 60.970 62.100 0.163 0.000 0.975 471 T CB 2.352 71.331 68.868 0.185 0.000 0.981 471 T HN 0.083 nan 8.240 nan 0.000 0.439 472 P HA 0.513 nan 4.420 nan 0.000 0.275 472 P C -0.190 177.066 177.300 -0.073 0.000 1.227 472 P CA -0.031 63.099 63.100 0.049 0.000 0.781 472 P CB 1.138 32.864 31.700 0.043 0.000 0.906 473 G N 0.183 108.750 108.800 -0.389 0.000 2.660 473 G HA2 0.488 4.447 3.960 -0.001 0.000 0.290 473 G HA3 0.488 4.447 3.960 -0.001 0.000 0.290 473 G C 0.222 174.749 174.900 -0.622 0.000 1.432 473 G CA -0.179 44.383 45.100 -0.898 0.000 0.807 473 G HN 0.455 nan 8.290 nan 0.000 0.485 474 T N -4.127 110.129 114.554 -0.496 0.000 2.999 474 T HA 0.083 4.432 4.350 -0.001 0.000 0.247 474 T C 1.860 176.502 174.700 -0.097 0.000 1.012 474 T CA 1.592 63.571 62.100 -0.203 0.000 1.048 474 T CB 0.022 68.832 68.868 -0.097 0.000 1.020 474 T HN 0.878 nan 8.240 nan 0.000 0.478 475 T N 0.378 114.825 114.554 -0.178 0.000 3.086 475 T HA 0.485 4.834 4.350 -0.001 0.000 0.250 475 T C 0.069 174.639 174.700 -0.216 0.000 1.074 475 T CA -0.636 61.444 62.100 -0.034 0.000 0.988 475 T CB -0.817 68.071 68.868 0.033 0.000 0.988 475 T HN 0.609 nan 8.240 nan 0.000 0.530 476 F N -1.289 118.476 119.950 -0.309 0.000 2.741 476 F HA 0.748 5.274 4.527 -0.001 0.000 0.313 476 F C -1.543 174.110 175.800 -0.245 0.000 1.153 476 F CA -1.334 56.288 58.000 -0.630 0.000 0.931 476 F CB 1.093 39.843 39.000 -0.416 0.000 1.335 476 F HN -0.226 nan 8.300 nan 0.000 0.460 477 T N 0.941 115.544 114.554 0.083 0.000 2.881 477 T HA 0.394 4.743 4.350 -0.001 0.000 0.291 477 T C -1.536 173.258 174.700 0.158 0.000 0.990 477 T CA -0.491 61.719 62.100 0.183 0.000 0.976 477 T CB 1.504 70.515 68.868 0.239 0.000 0.970 477 T HN 0.781 nan 8.240 nan 0.000 0.438 478 E N 4.112 124.430 120.200 0.197 0.000 2.145 478 E HA 0.429 4.778 4.350 -0.001 0.000 0.262 478 E C -0.682 175.850 176.600 -0.112 0.000 0.883 478 E CA -0.678 55.717 56.400 -0.009 0.000 0.748 478 E CB 0.538 30.277 29.700 0.064 0.000 1.140 478 E HN 0.370 nan 8.360 nan 0.000 0.417 479 I N 3.748 124.060 120.570 -0.431 0.000 2.498 479 I HA 0.293 4.463 4.170 -0.001 0.000 0.301 479 I C -0.031 175.900 176.117 -0.310 0.000 0.984 479 I CA -0.663 60.393 61.300 -0.407 0.000 1.204 479 I CB 1.572 39.126 38.000 -0.743 0.000 1.362 479 I HN 0.543 nan 8.210 nan 0.000 0.471 480 K N 4.640 124.991 120.400 -0.082 0.000 2.449 480 K HA 0.689 5.008 4.320 -0.001 0.000 0.257 480 K C -0.974 175.669 176.600 0.071 0.000 0.989 480 K CA -0.370 55.926 56.287 0.016 0.000 0.916 480 K CB 1.199 33.725 32.500 0.044 0.000 1.136 480 K HN 0.772 nan 8.250 nan 0.000 0.439 481 A N 3.948 126.860 122.820 0.152 0.000 2.306 481 A HA 0.750 5.070 4.320 -0.001 0.000 0.330 481 A C -1.033 176.582 177.584 0.051 0.000 1.146 481 A CA -0.795 51.323 52.037 0.134 0.000 0.827 481 A CB 1.105 20.260 19.000 0.259 0.000 1.178 481 A HN 0.750 nan 8.150 nan 0.000 0.490 482 M N 2.114 121.684 119.600 -0.050 0.000 2.213 482 M HA 0.529 5.008 4.480 -0.001 0.000 0.286 482 M C -1.575 174.589 176.300 -0.228 0.000 1.008 482 M CA -0.169 55.069 55.300 -0.103 0.000 0.937 482 M CB 1.273 33.821 32.600 -0.087 0.000 1.600 482 M HN 0.547 nan 8.290 nan 0.000 0.450 483 I N 5.102 125.538 120.570 -0.223 0.000 2.353 483 I HA 0.489 4.658 4.170 -0.001 0.000 0.293 483 I C -0.054 175.823 176.117 -0.401 0.000 0.992 483 I CA -0.720 60.399 61.300 -0.303 0.000 1.268 483 I CB 0.760 38.674 38.000 -0.143 0.000 1.387 483 I HN 0.516 nan 8.210 nan 0.000 0.478 484 R N 4.296 124.412 120.500 -0.641 0.000 2.599 484 R HA 0.380 4.719 4.340 -0.001 0.000 0.295 484 R C -0.906 175.091 176.300 -0.507 0.000 0.963 484 R CA -0.869 54.834 56.100 -0.661 0.000 0.883 484 R CB 1.940 31.559 30.300 -1.134 0.000 1.171 484 R HN 0.483 nan 8.270 nan 0.000 0.450 485 N N 2.274 120.840 118.700 -0.222 0.000 2.682 485 N HA 0.119 4.858 4.740 -0.001 0.000 0.252 485 N C -0.855 174.614 175.510 -0.068 0.000 1.081 485 N CA -0.185 52.810 53.050 -0.091 0.000 0.844 485 N CB 1.048 39.548 38.487 0.022 0.000 1.167 485 N HN 0.510 nan 8.380 nan 0.000 0.523 486 Q N 0.754 120.441 119.800 -0.188 0.000 2.211 486 Q HA 0.186 4.525 4.340 -0.001 0.000 0.301 486 Q C -0.001 175.946 176.000 -0.088 0.000 0.884 486 Q CA -0.458 55.107 55.803 -0.397 0.000 1.115 486 Q CB 0.374 28.494 28.738 -1.029 0.000 1.217 486 Q HN 0.604 nan 8.270 nan 0.000 0.451 487 S N -0.811 114.932 115.700 0.071 0.000 2.573 487 S HA 0.402 4.871 4.470 -0.001 0.000 0.277 487 S C 0.966 175.682 174.600 0.193 0.000 1.346 487 S CA 0.272 58.583 58.200 0.185 0.000 1.034 487 S CB 1.292 64.603 63.200 0.184 0.000 0.879 487 S HN 0.427 nan 8.310 nan 0.000 0.528 488 G N 0.165 109.121 108.800 0.259 0.000 4.247 488 G HA2 0.212 4.172 3.960 -0.001 0.000 0.231 488 G HA3 0.212 4.172 3.960 -0.001 0.000 0.231 488 G C -0.369 174.433 174.900 -0.163 0.000 1.079 488 G CA -0.437 44.645 45.100 -0.030 0.000 0.850 488 G HN 0.696 nan 8.290 nan 0.000 0.435 489 W N 2.474 123.926 121.300 0.254 0.000 1.683 489 W HA 0.322 4.981 4.660 -0.001 0.000 0.295 489 W C -2.554 174.058 176.519 0.155 0.000 0.865 489 W CA -1.118 56.367 57.345 0.234 0.000 2.079 489 W CB 1.431 31.024 29.460 0.221 0.000 2.263 489 W HN 0.098 nan 8.180 nan 0.000 0.427 490 P HA 0.497 nan 4.420 nan 0.000 0.287 490 P C -0.175 177.218 177.300 0.154 0.000 1.296 490 P CA -0.391 62.795 63.100 0.143 0.000 0.811 490 P CB 1.487 33.235 31.700 0.081 0.000 1.211 491 A N 1.196 124.092 122.820 0.125 0.000 2.477 491 A HA 0.408 4.728 4.320 -0.001 0.000 0.246 491 A C 0.659 178.326 177.584 0.138 0.000 1.078 491 A CA -0.041 52.085 52.037 0.149 0.000 0.770 491 A CB -0.331 18.762 19.000 0.155 0.000 1.011 491 A HN 0.635 nan 8.150 nan 0.000 0.494 492 R N 1.525 122.116 120.500 0.152 0.000 2.799 492 R HA 0.719 5.059 4.340 -0.001 0.000 0.270 492 R C -0.916 175.469 176.300 0.143 0.000 1.010 492 R CA -1.016 55.159 56.100 0.125 0.000 0.916 492 R CB 1.091 31.459 30.300 0.113 0.000 1.228 492 R HN 0.585 nan 8.270 nan 0.000 0.469 493 M N 1.746 121.409 119.600 0.104 0.000 2.274 493 M HA 0.355 4.834 4.480 -0.001 0.000 0.344 493 M C -1.381 174.985 176.300 0.110 0.000 1.161 493 M CA -0.812 54.555 55.300 0.111 0.000 1.126 493 M CB 1.222 33.837 32.600 0.025 0.000 1.522 493 M HN 0.649 nan 8.290 nan 0.000 0.461 494 L N 5.847 127.149 121.223 0.132 0.000 2.417 494 L HA 0.486 4.825 4.340 -0.001 0.000 0.259 494 L C -0.935 175.998 176.870 0.104 0.000 1.023 494 L CA 0.167 55.072 54.840 0.107 0.000 0.901 494 L CB 0.665 42.783 42.059 0.099 0.000 1.227 494 L HN 0.871 nan 8.230 nan 0.000 0.454 495 D N 1.577 122.026 120.400 0.082 0.000 2.431 495 D HA 0.096 4.735 4.640 -0.001 0.000 0.213 495 D C 0.159 176.494 176.300 0.058 0.000 1.130 495 D CA 0.062 54.104 54.000 0.070 0.000 0.834 495 D CB 0.272 41.101 40.800 0.049 0.000 0.985 495 D HN 0.434 nan 8.370 nan 0.000 0.504 496 K N 0.540 120.979 120.400 0.065 0.000 3.278 496 K HA 0.395 4.714 4.320 -0.001 0.000 0.200 496 K C 0.069 176.719 176.600 0.083 0.000 1.107 496 K CA -0.419 55.905 56.287 0.061 0.000 0.923 496 K CB 1.587 34.119 32.500 0.053 0.000 0.787 496 K HN 0.096 nan 8.250 nan 0.000 0.481 497 G N 0.735 109.591 108.800 0.093 0.000 2.377 497 G HA2 0.450 4.409 3.960 -0.001 0.000 0.299 497 G HA3 0.450 4.409 3.960 -0.001 0.000 0.299 497 G C -0.181 174.797 174.900 0.129 0.000 1.150 497 G CA -0.149 45.030 45.100 0.132 0.000 0.847 497 G HN 0.153 nan 8.290 nan 0.000 0.501 498 T N -1.411 113.257 114.554 0.189 0.000 2.894 498 T HA 0.724 5.073 4.350 -0.001 0.000 0.309 498 T C -0.882 174.017 174.700 0.333 0.000 1.208 498 T CA -0.852 61.324 62.100 0.126 0.000 1.016 498 T CB 1.761 70.633 68.868 0.006 0.000 1.192 498 T HN 1.190 nan 8.240 nan 0.000 0.491 499 F N -0.916 119.112 119.950 0.129 0.000 2.613 499 F HA 0.884 5.410 4.527 -0.001 0.000 0.310 499 F C -0.909 174.941 175.800 0.084 0.000 1.085 499 F CA -1.405 56.715 58.000 0.200 0.000 0.945 499 F CB 1.732 40.847 39.000 0.192 0.000 1.298 499 F HN 0.685 nan 8.300 nan 0.000 0.455 500 R N 1.596 122.297 120.500 0.337 0.000 2.670 500 R HA 0.430 4.770 4.340 -0.001 0.000 0.289 500 R C -2.172 174.207 176.300 0.132 0.000 0.965 500 R CA -1.074 54.959 56.100 -0.111 0.000 0.899 500 R CB 2.440 32.198 30.300 -0.904 0.000 1.173 500 R HN 0.862 nan 8.270 nan 0.000 0.456 501 Y N 2.868 123.215 120.300 0.079 0.000 2.376 501 Y HA 0.318 4.867 4.550 -0.001 0.000 0.326 501 Y C -1.003 175.187 175.900 0.484 0.000 0.970 501 Y CA -0.751 57.624 58.100 0.459 0.000 1.248 501 Y CB 0.955 39.777 38.460 0.604 0.000 1.117 501 Y HN 0.517 nan 8.280 nan 0.000 0.476 502 W N 8.116 129.656 121.300 0.401 0.000 2.313 502 W HA 0.416 5.075 4.660 -0.001 0.000 0.328 502 W C -0.883 175.896 176.519 0.433 0.000 1.197 502 W CA -0.382 57.209 57.345 0.410 0.000 1.235 502 W CB 1.420 31.044 29.460 0.273 0.000 1.158 502 W HN 0.585 nan 8.180 nan 0.000 0.578 503 F N -0.852 119.447 119.950 0.582 0.000 2.631 503 F HA 0.568 5.094 4.527 -0.001 0.000 0.308 503 F C -0.808 175.194 175.800 0.337 0.000 1.097 503 F CA -1.224 57.019 58.000 0.405 0.000 0.952 503 F CB 0.855 40.121 39.000 0.443 0.000 1.307 503 F HN -0.101 nan 8.300 nan 0.000 0.450 504 T N 3.934 118.678 114.554 0.317 0.000 2.749 504 T HA 0.426 4.775 4.350 -0.001 0.000 0.287 504 T C -0.531 174.296 174.700 0.211 0.000 0.970 504 T CA -0.357 61.859 62.100 0.193 0.000 0.980 504 T CB 1.028 69.976 68.868 0.134 0.000 0.924 504 T HN 0.724 nan 8.240 nan 0.000 0.456 505 L N 4.742 126.094 121.223 0.214 0.000 2.499 505 L HA 0.174 4.513 4.340 -0.001 0.000 0.273 505 L C 0.201 177.124 176.870 0.089 0.000 1.195 505 L CA 0.564 55.507 54.840 0.172 0.000 0.882 505 L CB 0.214 42.343 42.059 0.116 0.000 1.133 505 L HN 0.578 nan 8.230 nan 0.000 0.483 506 D N 2.774 123.200 120.400 0.043 0.000 2.332 506 D HA 0.128 4.768 4.640 -0.001 0.000 0.252 506 D C -0.572 175.748 176.300 0.034 0.000 1.050 506 D CA -0.536 53.469 54.000 0.008 0.000 0.970 506 D CB 1.137 41.903 40.800 -0.057 0.000 1.141 506 D HN 0.460 nan 8.370 nan 0.000 0.485 507 E N -0.461 119.754 120.200 0.024 0.000 2.417 507 E HA 0.287 4.636 4.350 -0.001 0.000 0.261 507 E C 0.836 177.456 176.600 0.034 0.000 1.000 507 E CA 0.683 57.100 56.400 0.028 0.000 0.919 507 E CB 0.025 29.737 29.700 0.020 0.000 0.955 507 E HN 0.655 nan 8.360 nan 0.000 0.455 508 G N 2.749 111.571 108.800 0.036 0.000 2.157 508 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.248 508 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.248 508 G C -0.185 174.746 174.900 0.051 0.000 0.979 508 G CA 0.090 45.213 45.100 0.038 0.000 0.650 508 G HN 0.530 nan 8.290 nan 0.000 0.529 509 V N 1.371 121.323 119.914 0.063 0.000 2.370 509 V HA 0.513 4.632 4.120 -0.001 0.000 0.283 509 V C -0.255 175.870 176.094 0.051 0.000 1.023 509 V CA -0.936 61.414 62.300 0.083 0.000 0.857 509 V CB 1.801 33.717 31.823 0.155 0.000 0.985 509 V HN 0.305 nan 8.190 nan 0.000 0.443 510 D N 7.668 128.089 120.400 0.034 0.000 2.295 510 D HA 0.270 4.909 4.640 -0.001 0.000 0.248 510 D C -1.203 175.092 176.300 -0.008 0.000 1.154 510 D CA -2.034 51.971 54.000 0.010 0.000 0.857 510 D CB 2.281 43.086 40.800 0.008 0.000 1.117 510 D HN 0.247 nan 8.370 nan 0.000 0.468 511 P HA -0.126 nan 4.420 nan 0.000 0.221 511 P C 0.863 178.140 177.300 -0.038 0.000 1.145 511 P CA 0.617 63.657 63.100 -0.100 0.000 0.795 511 P CB 0.252 31.830 31.700 -0.204 0.000 0.775 512 A N -0.190 122.618 122.820 -0.020 0.000 2.119 512 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 512 A C 1.876 179.448 177.584 -0.020 0.000 1.153 512 A CA 1.421 53.450 52.037 -0.015 0.000 0.692 512 A CB -0.888 18.107 19.000 -0.009 0.000 0.799 512 A HN 0.028 nan 8.150 nan 0.000 0.458 513 D N -0.678 119.710 120.400 -0.020 0.000 2.349 513 D HA 0.190 4.829 4.640 -0.001 0.000 0.214 513 D C 0.173 176.444 176.300 -0.049 0.000 1.063 513 D CA 0.005 53.989 54.000 -0.028 0.000 0.847 513 D CB 0.040 40.831 40.800 -0.015 0.000 0.933 513 D HN 0.414 nan 8.370 nan 0.000 0.513 514 I N 1.406 121.947 120.570 -0.049 0.000 2.471 514 I HA 0.073 4.242 4.170 -0.001 0.000 0.286 514 I C 0.554 176.614 176.117 -0.095 0.000 1.079 514 I CA 0.033 61.279 61.300 -0.091 0.000 1.398 514 I CB 1.007 38.981 38.000 -0.044 0.000 1.403 514 I HN -0.125 nan 8.210 nan 0.000 0.530 515 T N 3.299 117.769 114.554 -0.140 0.000 2.856 515 T HA 0.678 5.027 4.350 -0.001 0.000 0.283 515 T C -0.562 174.061 174.700 -0.128 0.000 1.008 515 T CA -0.773 61.259 62.100 -0.114 0.000 0.997 515 T CB 1.888 70.691 68.868 -0.108 0.000 0.992 515 T HN 0.184 nan 8.240 nan 0.000 0.454 516 V N 3.252 123.117 119.914 -0.081 0.000 2.378 516 V HA 0.731 4.851 4.120 -0.001 0.000 0.288 516 V C 0.254 176.322 176.094 -0.044 0.000 1.016 516 V CA -0.654 61.615 62.300 -0.051 0.000 0.840 516 V CB 0.824 32.639 31.823 -0.014 0.000 0.994 516 V HN 1.262 nan 8.190 nan 0.000 0.431 517 S N 3.072 118.744 115.700 -0.046 0.000 2.704 517 S HA 0.932 5.401 4.470 -0.001 0.000 0.296 517 S C -0.562 174.031 174.600 -0.011 0.000 1.138 517 S CA -0.688 57.486 58.200 -0.043 0.000 0.875 517 S CB 2.289 65.440 63.200 -0.081 0.000 1.151 517 S HN 0.906 nan 8.310 nan 0.000 0.500 518 S N -1.155 114.541 115.700 -0.007 0.000 2.547 518 S HA 0.681 5.151 4.470 -0.001 0.000 0.270 518 S C -0.223 174.392 174.600 0.025 0.000 1.150 518 S CA -0.123 58.091 58.200 0.022 0.000 0.850 518 S CB 1.202 64.433 63.200 0.052 0.000 1.118 518 S HN 1.639 nan 8.310 nan 0.000 0.461 519 A N 2.097 124.949 122.820 0.053 0.000 2.390 519 A HA 0.531 4.851 4.320 -0.001 0.000 0.232 519 A C -0.483 177.209 177.584 0.180 0.000 1.233 519 A CA 0.148 52.228 52.037 0.071 0.000 0.907 519 A CB 0.143 19.165 19.000 0.036 0.000 0.967 519 A HN 1.145 nan 8.150 nan 0.000 0.512 520 Y N -0.133 120.175 120.300 0.013 0.000 2.262 520 Y HA 0.501 5.050 4.550 -0.001 0.000 0.317 520 Y C -1.967 173.960 175.900 0.045 0.000 1.230 520 Y CA -1.863 56.251 58.100 0.023 0.000 1.166 520 Y CB 0.821 39.294 38.460 0.021 0.000 1.254 520 Y HN 0.107 nan 8.280 nan 0.000 0.405 521 N N 4.655 123.186 118.700 -0.281 0.000 2.542 521 N HA 0.241 4.980 4.740 -0.001 0.000 0.288 521 N C -0.380 174.965 175.510 -0.275 0.000 1.115 521 N CA -0.334 52.546 53.050 -0.283 0.000 0.924 521 N CB 1.819 40.258 38.487 -0.080 0.000 1.526 521 N HN 0.852 nan 8.380 nan 0.000 0.515 522 Q N 0.567 120.175 119.800 -0.320 0.000 2.472 522 Q HA 0.174 4.513 4.340 -0.001 0.000 0.208 522 Q C 0.115 176.070 176.000 -0.075 0.000 0.958 522 Q CA 0.572 56.276 55.803 -0.165 0.000 0.932 522 Q CB 0.279 28.929 28.738 -0.147 0.000 1.007 522 Q HN 0.586 nan 8.270 nan 0.000 0.508 523 c N -0.632 117.924 118.600 -0.073 0.000 2.711 523 c HA 0.756 5.325 4.570 -0.001 0.000 0.410 523 c C 0.532 174.587 174.090 -0.059 0.000 1.553 523 c CA -1.225 55.074 56.329 -0.049 0.000 1.759 523 c CB 0.844 43.328 42.510 -0.043 0.000 2.077 523 c HN 0.416 nan 8.230 nan 0.000 0.483 524 A N 0.440 123.220 122.820 -0.066 0.000 2.351 524 A HA 0.544 4.864 4.320 -0.001 0.000 0.257 524 A C -0.076 177.457 177.584 -0.084 0.000 1.087 524 A CA 0.278 52.277 52.037 -0.063 0.000 0.798 524 A CB -0.139 18.827 19.000 -0.057 0.000 1.033 524 A HN 0.828 nan 8.150 nan 0.000 0.488 525 T N 4.560 119.077 114.554 -0.060 0.000 2.756 525 T HA 0.541 4.891 4.350 -0.001 0.000 0.290 525 T C -2.227 172.440 174.700 -0.055 0.000 0.985 525 T CA -0.622 61.442 62.100 -0.059 0.000 0.955 525 T CB 0.922 69.771 68.868 -0.031 0.000 0.930 525 T HN 0.675 nan 8.240 nan 0.000 0.451 526 P HA 0.294 nan 4.420 nan 0.000 0.277 526 P C 0.472 177.750 177.300 -0.037 0.000 1.240 526 P CA -0.405 62.668 63.100 -0.044 0.000 0.798 526 P CB 1.829 33.506 31.700 -0.039 0.000 0.979 527 E N 0.385 120.564 120.200 -0.035 0.000 2.127 527 E HA -0.034 4.315 4.350 -0.001 0.000 0.191 527 E C -0.024 176.545 176.600 -0.052 0.000 0.964 527 E CA 0.405 56.780 56.400 -0.041 0.000 0.832 527 E CB 0.291 29.968 29.700 -0.038 0.000 0.790 527 E HN 0.493 nan 8.360 nan 0.000 0.465 528 D N 0.494 120.847 120.400 -0.077 0.000 2.487 528 D HA 0.277 4.917 4.640 -0.001 0.000 0.262 528 D C -0.021 176.202 176.300 -0.127 0.000 1.130 528 D CA -0.550 53.377 54.000 -0.123 0.000 1.038 528 D CB 1.667 42.334 40.800 -0.222 0.000 1.142 528 D HN 0.068 nan 8.370 nan 0.000 0.575 529 V N -3.243 116.595 119.914 -0.127 0.000 3.046 529 V HA 0.543 4.663 4.120 -0.001 0.000 0.316 529 V C -0.655 175.290 176.094 -0.248 0.000 1.104 529 V CA -0.773 61.527 62.300 0.000 0.000 1.006 529 V CB 2.100 34.086 31.823 0.272 0.000 1.058 529 V HN 0.520 nan 8.190 nan 0.000 0.440 530 H N 1.381 120.315 119.070 -0.226 0.000 2.489 530 H HA 0.446 5.001 4.556 -0.001 0.000 0.343 530 H C -1.050 174.066 175.328 -0.354 0.000 1.086 530 H CA -0.382 55.401 56.048 -0.442 0.000 1.198 530 H CB 1.802 30.898 29.762 -1.110 0.000 1.490 530 H HN 0.948 nan 8.280 nan 0.000 0.504 531 H N 3.005 121.896 119.070 -0.298 0.000 2.562 531 H HA 0.149 4.704 4.556 -0.001 0.000 0.314 531 H C -0.033 175.097 175.328 -0.330 0.000 1.079 531 H CA -0.544 55.112 56.048 -0.653 0.000 1.349 531 H CB 1.152 30.548 29.762 -0.611 0.000 1.432 531 H HN 0.320 nan 8.280 nan 0.000 0.479 532 V N 3.925 123.511 119.914 -0.546 0.000 2.365 532 V HA 0.002 4.121 4.120 -0.001 0.000 0.232 532 V C 0.504 176.217 176.094 -0.635 0.000 1.065 532 V CA 1.157 63.264 62.300 -0.322 0.000 1.054 532 V CB 0.052 31.868 31.823 -0.012 0.000 0.685 532 V HN 0.880 nan 8.190 nan 0.000 0.480 533 S N -1.983 113.364 115.700 -0.587 0.000 2.552 533 S HA 0.633 5.102 4.470 -0.001 0.000 0.272 533 S C 0.081 174.617 174.600 -0.106 0.000 1.150 533 S CA 0.085 58.037 58.200 -0.413 0.000 0.849 533 S CB 1.398 64.478 63.200 -0.202 0.000 1.113 533 S HN 1.572 nan 8.310 nan 0.000 0.458 534 G N 2.671 111.518 108.800 0.078 0.000 2.629 534 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.313 534 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.313 534 G C -0.100 174.952 174.900 0.253 0.000 1.217 534 G CA 1.124 46.309 45.100 0.141 0.000 0.994 534 G HN 1.607 nan 8.290 nan 0.000 0.549 535 D N -0.033 120.478 120.400 0.185 0.000 2.559 535 D HA 0.494 5.133 4.640 -0.001 0.000 0.234 535 D C 0.396 176.873 176.300 0.295 0.000 1.226 535 D CA -0.394 53.777 54.000 0.285 0.000 0.830 535 D CB 0.528 41.459 40.800 0.219 0.000 1.028 535 D HN 0.492 nan 8.370 nan 0.000 0.492 536 L N 1.107 122.417 121.223 0.145 0.000 2.276 536 L HA 0.455 4.794 4.340 -0.001 0.000 0.286 536 L C -1.479 175.397 176.870 0.011 0.000 1.061 536 L CA -0.336 54.564 54.840 0.100 0.000 0.807 536 L CB 0.144 42.220 42.059 0.029 0.000 1.177 536 L HN -0.009 nan 8.230 nan 0.000 0.429 537 Y N 4.302 124.502 120.300 -0.167 0.000 2.634 537 Y HA 0.653 5.203 4.550 -0.001 0.000 0.340 537 Y C -0.869 174.890 175.900 -0.236 0.000 1.058 537 Y CA -0.565 57.351 58.100 -0.307 0.000 1.081 537 Y CB 1.884 39.920 38.460 -0.706 0.000 1.295 537 Y HN 0.571 nan 8.280 nan 0.000 0.487 538 Y N -1.984 118.347 120.300 0.052 0.000 2.571 538 Y HA 0.820 5.369 4.550 -0.001 0.000 0.341 538 Y C -2.164 173.884 175.900 0.247 0.000 1.076 538 Y CA -1.696 56.412 58.100 0.013 0.000 1.029 538 Y CB 0.582 38.663 38.460 -0.631 0.000 1.308 538 Y HN 0.321 nan 8.280 nan 0.000 0.461 539 V N 2.659 122.866 119.914 0.488 0.000 2.483 539 V HA 0.425 4.544 4.120 -0.001 0.000 0.295 539 V C -0.675 175.525 176.094 0.178 0.000 1.035 539 V CA -0.724 61.770 62.300 0.322 0.000 0.896 539 V CB 1.522 33.500 31.823 0.259 0.000 0.986 539 V HN 0.856 nan 8.190 nan 0.000 0.447 540 E N 4.510 124.756 120.200 0.078 0.000 2.165 540 E HA 0.442 4.791 4.350 -0.001 0.000 0.266 540 E C -1.421 175.001 176.600 -0.296 0.000 0.889 540 E CA -0.710 55.621 56.400 -0.116 0.000 0.756 540 E CB 1.356 31.013 29.700 -0.071 0.000 1.131 540 E HN 0.462 nan 8.360 nan 0.000 0.411 541 I N 3.731 123.938 120.570 -0.606 0.000 2.331 541 I HA 0.189 4.358 4.170 -0.001 0.000 0.292 541 I C -0.112 175.754 176.117 -0.420 0.000 0.998 541 I CA -0.504 60.396 61.300 -0.667 0.000 1.267 541 I CB 1.174 38.428 38.000 -1.242 0.000 1.386 541 I HN 0.582 nan 8.210 nan 0.000 0.476 542 D N 5.747 126.006 120.400 -0.234 0.000 2.373 542 D HA 0.248 4.888 4.640 -0.001 0.000 0.227 542 D C -0.031 176.224 176.300 -0.075 0.000 1.091 542 D CA -0.225 53.701 54.000 -0.123 0.000 0.840 542 D CB 1.063 41.812 40.800 -0.084 0.000 1.060 542 D HN 0.497 nan 8.370 nan 0.000 0.502 543 c N 2.818 121.402 118.600 -0.026 0.000 3.000 543 c HA 0.164 4.733 4.570 -0.001 0.000 0.286 543 c C 0.821 174.925 174.090 0.024 0.000 1.343 543 c CA -0.339 55.996 56.329 0.010 0.000 1.742 543 c CB -1.383 41.159 42.510 0.054 0.000 2.200 543 c HN 0.693 nan 8.230 nan 0.000 0.621 544 T N -1.018 113.545 114.554 0.015 0.000 2.928 544 T HA 0.422 4.771 4.350 -0.001 0.000 0.305 544 T C 1.283 175.995 174.700 0.019 0.000 1.035 544 T CA 1.076 63.189 62.100 0.022 0.000 1.145 544 T CB 0.861 69.737 68.868 0.013 0.000 0.963 544 T HN 1.085 nan 8.240 nan 0.000 0.545 545 G N 1.827 110.643 108.800 0.027 0.000 2.232 545 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.226 545 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.226 545 G C -0.102 174.820 174.900 0.037 0.000 0.996 545 G CA -0.212 44.903 45.100 0.025 0.000 0.626 545 G HN 0.816 nan 8.290 nan 0.000 0.509 546 E N 1.279 121.505 120.200 0.044 0.000 2.229 546 E HA 0.361 4.710 4.350 -0.001 0.000 0.283 546 E C 0.045 176.700 176.600 0.091 0.000 1.030 546 E CA -0.284 56.152 56.400 0.059 0.000 0.836 546 E CB 0.968 30.695 29.700 0.045 0.000 1.068 546 E HN 0.398 nan 8.360 nan 0.000 0.401 547 K N 3.677 124.157 120.400 0.134 0.000 2.206 547 K HA 0.327 4.647 4.320 -0.001 0.000 0.268 547 K C 0.009 176.810 176.600 0.335 0.000 1.111 547 K CA -0.133 56.291 56.287 0.227 0.000 0.955 547 K CB 0.125 32.774 32.500 0.248 0.000 1.406 547 K HN 0.334 nan 8.250 nan 0.000 0.427 548 I N 5.205 125.920 120.570 0.241 0.000 2.297 548 I HA 0.282 4.451 4.170 -0.001 0.000 0.291 548 I C -0.306 175.984 176.117 0.288 0.000 1.033 548 I CA -0.775 60.622 61.300 0.161 0.000 1.253 548 I CB -0.182 37.853 38.000 0.060 0.000 1.396 548 I HN 0.355 nan 8.210 nan 0.000 0.476 549 F N 6.226 126.242 119.950 0.110 0.000 2.626 549 F HA 0.627 5.153 4.527 -0.001 0.000 0.311 549 F C -2.920 173.023 175.800 0.238 0.000 1.088 549 F CA -3.079 55.010 58.000 0.148 0.000 0.949 549 F CB 1.093 40.171 39.000 0.131 0.000 1.322 549 F HN 0.090 nan 8.300 nan 0.000 0.461 550 P HA 0.240 nan 4.420 nan 0.000 0.249 550 P C 0.179 177.709 177.300 0.383 0.000 1.737 550 P CA 0.362 63.658 63.100 0.326 0.000 1.128 550 P CB 0.174 32.060 31.700 0.311 0.000 1.942 551 G N 0.585 109.528 108.800 0.239 0.000 4.385 551 G HA2 0.510 4.469 3.960 -0.001 0.000 0.283 551 G HA3 0.510 4.469 3.960 -0.001 0.000 0.283 551 G C 0.175 175.300 174.900 0.374 0.000 1.020 551 G CA -0.028 45.410 45.100 0.562 0.000 0.790 551 G HN 0.681 nan 8.290 nan 0.000 0.420 552 G N -0.571 108.314 108.800 0.142 0.000 2.328 552 G HA2 0.316 4.275 3.960 -0.001 0.000 0.299 552 G HA3 0.316 4.275 3.960 -0.001 0.000 0.299 552 G C 0.018 175.031 174.900 0.187 0.000 1.435 552 G CA 0.026 45.208 45.100 0.135 0.000 0.865 552 G HN 0.058 nan 8.290 nan 0.000 0.601 553 Q N 0.095 119.991 119.800 0.160 0.000 2.050 553 Q HA -0.012 4.328 4.340 -0.001 0.000 0.202 553 Q C 2.553 178.684 176.000 0.219 0.000 0.980 553 Q CA 3.018 58.960 55.803 0.232 0.000 0.840 553 Q CB -0.282 28.529 28.738 0.123 0.000 0.898 553 Q HN 0.496 nan 8.270 nan 0.000 0.424 554 S N -0.219 115.540 115.700 0.098 0.000 2.458 554 S HA -0.006 4.464 4.470 -0.001 0.000 0.223 554 S C 1.524 176.090 174.600 -0.057 0.000 1.019 554 S CA 0.668 58.879 58.200 0.017 0.000 0.937 554 S CB -0.020 63.200 63.200 0.033 0.000 0.788 554 S HN 0.356 nan 8.310 nan 0.000 0.511 555 E N 1.318 121.465 120.200 -0.089 0.000 2.106 555 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 555 E C 1.789 178.213 176.600 -0.294 0.000 0.984 555 E CA 1.055 57.261 56.400 -0.324 0.000 0.806 555 E CB -0.291 28.950 29.700 -0.765 0.000 0.750 555 E HN 0.716 nan 8.360 nan 0.000 0.458 556 H N 0.757 119.716 119.070 -0.184 0.000 2.556 556 H HA 0.127 4.682 4.556 -0.001 0.000 0.268 556 H C 0.030 175.309 175.328 -0.081 0.000 0.996 556 H CA 0.333 56.329 56.048 -0.087 0.000 1.157 556 H CB 0.071 29.878 29.762 0.075 0.000 1.355 556 H HN 0.075 nan 8.280 nan 0.000 0.597 557 R N -0.467 119.715 120.500 -0.529 0.000 2.764 557 R HA 0.656 4.995 4.340 -0.001 0.000 0.270 557 R C -1.266 174.897 176.300 -0.228 0.000 1.014 557 R CA -1.150 54.677 56.100 -0.455 0.000 0.904 557 R CB 1.600 31.512 30.300 -0.648 0.000 1.236 557 R HN -0.118 nan 8.270 nan 0.000 0.466 558 R N 1.013 121.414 120.500 -0.165 0.000 2.514 558 R HA 0.268 4.607 4.340 -0.001 0.000 0.296 558 R C -1.300 174.952 176.300 -0.079 0.000 1.012 558 R CA -0.795 55.250 56.100 -0.092 0.000 0.897 558 R CB 1.977 32.252 30.300 -0.042 0.000 1.184 558 R HN 0.864 nan 8.270 nan 0.000 0.440 559 E N 2.122 122.266 120.200 -0.094 0.000 2.249 559 E HA 0.423 4.772 4.350 -0.001 0.000 0.280 559 E C -0.988 175.527 176.600 -0.141 0.000 1.016 559 E CA -0.576 55.772 56.400 -0.088 0.000 0.830 559 E CB 1.192 30.867 29.700 -0.042 0.000 1.081 559 E HN 0.193 nan 8.360 nan 0.000 0.395 560 V N 5.157 125.077 119.914 0.011 0.000 2.488 560 V HA 0.206 4.325 4.120 -0.001 0.000 0.293 560 V C -0.718 175.509 176.094 0.220 0.000 1.027 560 V CA -0.761 61.605 62.300 0.109 0.000 0.862 560 V CB 1.510 33.527 31.823 0.323 0.000 1.008 560 V HN 0.739 nan 8.190 nan 0.000 0.428 561 Q N 4.728 124.610 119.800 0.136 0.000 2.293 561 Q HA 0.760 5.099 4.340 -0.001 0.000 0.261 561 Q C -1.202 174.928 176.000 0.218 0.000 0.960 561 Q CA -0.504 55.379 55.803 0.134 0.000 0.882 561 Q CB 2.476 31.273 28.738 0.097 0.000 1.275 561 Q HN 0.763 nan 8.270 nan 0.000 0.445 562 F N -0.795 119.161 119.950 0.010 0.000 2.588 562 F HA 0.568 5.094 4.527 -0.001 0.000 0.314 562 F C -1.319 174.442 175.800 -0.065 0.000 1.134 562 F CA -1.172 56.807 58.000 -0.034 0.000 0.961 562 F CB 1.298 40.280 39.000 -0.030 0.000 1.239 562 F HN 0.318 nan 8.300 nan 0.000 0.448 563 R N 4.942 125.429 120.500 -0.021 0.000 2.343 563 R HA 0.702 5.041 4.340 -0.001 0.000 0.320 563 R C -1.574 174.654 176.300 -0.121 0.000 0.956 563 R CA -0.648 55.366 56.100 -0.144 0.000 0.836 563 R CB 1.146 31.285 30.300 -0.268 0.000 1.151 563 R HN 0.939 nan 8.270 nan 0.000 0.450 564 I N 4.277 124.739 120.570 -0.180 0.000 2.330 564 I HA 0.330 4.499 4.170 -0.001 0.000 0.286 564 I C -0.051 175.671 176.117 -0.658 0.000 1.025 564 I CA -0.614 60.483 61.300 -0.338 0.000 1.197 564 I CB 1.704 39.515 38.000 -0.314 0.000 1.358 564 I HN 0.606 nan 8.210 nan 0.000 0.467 565 A N 4.239 126.735 122.820 -0.540 0.000 2.260 565 A HA 0.681 5.000 4.320 -0.001 0.000 0.314 565 A C 0.860 178.093 177.584 -0.586 0.000 1.257 565 A CA -0.346 51.374 52.037 -0.528 0.000 0.871 565 A CB 0.810 19.640 19.000 -0.283 0.000 1.166 565 A HN 0.899 nan 8.150 nan 0.000 0.522 566 G N 1.179 109.559 108.800 -0.700 0.000 3.228 566 G HA2 0.532 4.491 3.960 -0.001 0.000 0.245 566 G HA3 0.532 4.491 3.960 -0.001 0.000 0.245 566 G C 0.840 175.729 174.900 -0.019 0.000 1.051 566 G CA 0.655 45.602 45.100 -0.255 0.000 0.809 566 G HN 2.138 nan 8.290 nan 0.000 0.531 567 G N 0.570 109.339 108.800 -0.052 0.000 2.725 567 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.220 567 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.220 567 G C -2.676 172.274 174.900 0.083 0.000 1.357 567 G CA -0.441 44.671 45.100 0.019 0.000 0.866 567 G HN 0.297 nan 8.290 nan 0.000 0.548 568 P HA 0.360 nan 4.420 nan 0.000 0.267 568 P C 1.024 178.379 177.300 0.092 0.000 1.205 568 P CA 1.810 64.953 63.100 0.071 0.000 0.765 568 P CB 0.779 32.505 31.700 0.043 0.000 0.828 569 G N 2.336 111.195 108.800 0.099 0.000 2.253 569 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.209 569 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.209 569 G C -0.167 174.801 174.900 0.114 0.000 0.997 569 G CA -0.491 44.661 45.100 0.086 0.000 0.640 569 G HN 0.596 nan 8.290 nan 0.000 0.496 570 W N 2.633 123.912 121.300 -0.036 0.000 2.322 570 W HA 0.498 5.158 4.660 -0.001 0.000 0.328 570 W C -1.066 175.412 176.519 -0.067 0.000 1.395 570 W CA 1.226 58.539 57.345 -0.054 0.000 1.267 570 W CB 0.821 30.233 29.460 -0.081 0.000 1.259 570 W HN 0.153 nan 8.180 nan 0.000 0.560 571 D N 8.464 128.499 120.400 -0.608 0.000 2.476 571 D HA 0.216 4.855 4.640 -0.001 0.000 0.251 571 D C -1.648 174.273 176.300 -0.632 0.000 1.291 571 D CA -1.994 51.736 54.000 -0.450 0.000 0.939 571 D CB 1.967 42.632 40.800 -0.225 0.000 1.221 571 D HN 0.102 nan 8.370 nan 0.000 0.567 572 P HA -0.045 nan 4.420 nan 0.000 0.231 572 P C 0.984 178.102 177.300 -0.303 0.000 1.168 572 P CA 0.295 63.000 63.100 -0.658 0.000 0.779 572 P CB 0.227 31.256 31.700 -1.119 0.000 0.844 573 S N 1.165 116.786 115.700 -0.131 0.000 2.469 573 S HA -0.130 4.339 4.470 -0.001 0.000 0.238 573 S C 1.354 175.986 174.600 0.053 0.000 0.998 573 S CA 1.138 59.373 58.200 0.059 0.000 0.957 573 S CB -1.299 61.927 63.200 0.043 0.000 0.764 573 S HN 0.261 nan 8.310 nan 0.000 0.514 574 N N 0.349 119.050 118.700 0.001 0.000 2.234 574 N HA 0.182 4.922 4.740 -0.001 0.000 0.227 574 N C -1.438 174.129 175.510 0.094 0.000 1.151 574 N CA -0.445 52.628 53.050 0.038 0.000 0.865 574 N CB -0.197 38.299 38.487 0.015 0.000 1.066 574 N HN 0.102 nan 8.380 nan 0.000 0.515 575 D N 0.327 120.799 120.400 0.120 0.000 2.277 575 D HA 0.014 4.653 4.640 -0.001 0.000 0.249 575 D C 0.740 177.201 176.300 0.267 0.000 1.134 575 D CA -0.574 53.568 54.000 0.236 0.000 0.863 575 D CB 1.011 41.963 40.800 0.252 0.000 1.143 575 D HN 0.170 nan 8.370 nan 0.000 0.458 576 W N 2.864 124.225 121.300 0.102 0.000 2.315 576 W HA -0.258 4.401 4.660 -0.001 0.000 0.323 576 W C 1.070 177.605 176.519 0.027 0.000 1.233 576 W CA 1.337 58.692 57.345 0.017 0.000 1.267 576 W CB -0.137 29.333 29.460 0.016 0.000 1.160 576 W HN 0.215 nan 8.180 nan 0.000 0.474 577 S N 0.514 116.319 115.700 0.176 0.000 2.507 577 S HA -0.159 4.310 4.470 -0.001 0.000 0.235 577 S C 1.266 175.887 174.600 0.037 0.000 0.988 577 S CA 0.906 59.099 58.200 -0.012 0.000 0.944 577 S CB -0.721 62.284 63.200 -0.325 0.000 0.762 577 S HN 0.284 nan 8.310 nan 0.000 0.526 578 F N 2.530 122.452 119.950 -0.047 0.000 2.407 578 F HA 0.115 4.642 4.527 -0.001 0.000 0.299 578 F C 0.926 176.744 175.800 0.030 0.000 1.097 578 F CA 0.133 58.206 58.000 0.122 0.000 1.422 578 F CB -0.446 38.655 39.000 0.168 0.000 1.067 578 F HN 0.137 nan 8.300 nan 0.000 0.539 579 Q N 0.338 120.052 119.800 -0.143 0.000 2.262 579 Q HA 0.211 4.551 4.340 -0.001 0.000 0.298 579 Q C 1.340 177.237 176.000 -0.171 0.000 1.083 579 Q CA 0.903 56.528 55.803 -0.297 0.000 0.962 579 Q CB -0.261 28.055 28.738 -0.703 0.000 1.104 579 Q HN 0.578 nan 8.270 nan 0.000 0.376 580 G N 2.945 111.634 108.800 -0.186 0.000 2.205 580 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.261 580 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.261 580 G C 0.224 175.057 174.900 -0.111 0.000 0.980 580 G CA -0.239 44.804 45.100 -0.095 0.000 0.632 580 G HN 0.608 nan 8.290 nan 0.000 0.533 581 I N 2.003 122.440 120.570 -0.222 0.000 2.452 581 I HA 0.492 4.661 4.170 -0.001 0.000 0.287 581 I C 1.323 177.319 176.117 -0.202 0.000 1.079 581 I CA 0.558 61.757 61.300 -0.168 0.000 1.387 581 I CB 0.863 38.779 38.000 -0.141 0.000 1.404 581 I HN 0.204 nan 8.210 nan 0.000 0.522 582 G N 4.020 112.775 108.800 -0.075 0.000 3.119 582 G HA2 0.225 4.184 3.960 -0.001 0.000 0.206 582 G HA3 0.225 4.184 3.960 -0.001 0.000 0.206 582 G C 0.144 175.047 174.900 0.004 0.000 1.313 582 G CA -0.554 44.519 45.100 -0.045 0.000 1.010 582 G HN 0.646 nan 8.290 nan 0.000 0.578 583 N N 0.094 118.804 118.700 0.016 0.000 2.336 583 N HA 0.128 4.868 4.740 -0.001 0.000 0.189 583 N C -0.497 175.033 175.510 0.033 0.000 1.113 583 N CA 0.191 53.261 53.050 0.032 0.000 0.858 583 N CB 0.511 39.019 38.487 0.033 0.000 0.970 583 N HN 0.182 nan 8.380 nan 0.000 0.471 584 E N 0.883 121.100 120.200 0.029 0.000 2.212 584 E HA 0.189 4.538 4.350 -0.001 0.000 0.268 584 E C -0.880 175.745 176.600 0.042 0.000 0.902 584 E CA -0.950 55.471 56.400 0.034 0.000 0.779 584 E CB 2.257 31.974 29.700 0.029 0.000 1.172 584 E HN -0.022 nan 8.360 nan 0.000 0.409 585 L N 2.311 123.563 121.223 0.049 0.000 2.477 585 L HA 0.346 4.685 4.340 -0.001 0.000 0.272 585 L C -0.494 176.414 176.870 0.064 0.000 1.157 585 L CA 0.499 55.374 54.840 0.058 0.000 0.889 585 L CB -0.195 41.901 42.059 0.060 0.000 1.158 585 L HN 0.644 nan 8.230 nan 0.000 0.473 586 A N 5.593 128.456 122.820 0.072 0.000 2.609 586 A HA 0.778 5.097 4.320 -0.001 0.000 0.291 586 A C -2.862 174.785 177.584 0.106 0.000 1.096 586 A CA -1.429 50.653 52.037 0.075 0.000 0.684 586 A CB 1.085 20.116 19.000 0.052 0.000 1.282 586 A HN 0.501 nan 8.150 nan 0.000 0.412 587 P HA 0.273 nan 4.420 nan 0.000 0.262 587 P C -0.445 177.019 177.300 0.274 0.000 1.182 587 P CA 0.606 63.817 63.100 0.185 0.000 0.761 587 P CB 0.665 32.433 31.700 0.113 0.000 0.795 588 A N 6.031 129.077 122.820 0.376 0.000 2.444 588 A HA 0.432 4.751 4.320 -0.001 0.000 0.332 588 A C -1.744 176.060 177.584 0.366 0.000 1.430 588 A CA -1.345 50.888 52.037 0.326 0.000 0.975 588 A CB 0.253 19.432 19.000 0.299 0.000 1.147 588 A HN 0.350 nan 8.150 nan 0.000 0.524 589 P HA -0.067 nan 4.420 nan 0.000 0.226 589 P C 0.038 176.853 177.300 -0.809 0.000 1.153 589 P CA 1.203 63.936 63.100 -0.610 0.000 0.777 589 P CB 0.004 31.205 31.700 -0.832 0.000 0.794 590 Y N -1.608 118.657 120.300 -0.059 0.000 2.485 590 Y HA 0.292 4.841 4.550 -0.001 0.000 0.260 590 Y C 0.928 176.997 175.900 0.281 0.000 1.173 590 Y CA -0.403 57.677 58.100 -0.032 0.000 1.252 590 Y CB -0.165 38.031 38.460 -0.440 0.000 1.123 590 Y HN -0.117 nan 8.280 nan 0.000 0.524 591 I N 0.969 121.767 120.570 0.380 0.000 2.339 591 I HA 0.268 4.437 4.170 -0.001 0.000 0.290 591 I C -0.722 175.669 176.117 0.457 0.000 0.994 591 I CA -0.851 60.761 61.300 0.519 0.000 1.191 591 I CB 1.400 39.666 38.000 0.443 0.000 1.343 591 I HN -0.290 nan 8.210 nan 0.000 0.458 592 V N 7.277 127.518 119.914 0.544 0.000 2.407 592 V HA 0.278 4.397 4.120 -0.001 0.000 0.278 592 V C -0.113 176.126 176.094 0.242 0.000 1.037 592 V CA -0.612 61.868 62.300 0.300 0.000 0.900 592 V CB 1.676 33.660 31.823 0.268 0.000 0.983 592 V HN 0.396 nan 8.190 nan 0.000 0.459 593 L N 6.412 127.736 121.223 0.168 0.000 2.289 593 L HA 0.587 4.927 4.340 -0.001 0.000 0.285 593 L C -1.077 175.777 176.870 -0.026 0.000 1.049 593 L CA 0.076 55.041 54.840 0.209 0.000 0.804 593 L CB 0.951 43.153 42.059 0.238 0.000 1.195 593 L HN 0.532 nan 8.230 nan 0.000 0.428 594 Y N 2.362 122.773 120.300 0.185 0.000 2.429 594 Y HA 0.431 4.981 4.550 -0.001 0.000 0.342 594 Y C -0.457 175.505 175.900 0.104 0.000 1.004 594 Y CA -0.886 57.289 58.100 0.126 0.000 1.075 594 Y CB 1.610 40.120 38.460 0.084 0.000 1.214 594 Y HN 0.523 nan 8.280 nan 0.000 0.455 595 D N 2.712 123.251 120.400 0.232 0.000 2.472 595 D HA 0.176 4.816 4.640 -0.001 0.000 0.234 595 D C -0.413 175.971 176.300 0.140 0.000 1.088 595 D CA -0.202 53.894 54.000 0.159 0.000 0.882 595 D CB 0.219 41.094 40.800 0.124 0.000 1.037 595 D HN 0.632 nan 8.370 nan 0.000 0.520 596 D N 3.250 123.721 120.400 0.119 0.000 2.800 596 D HA -0.178 4.461 4.640 -0.001 0.000 0.232 596 D C 1.011 177.361 176.300 0.084 0.000 1.137 596 D CA 2.049 56.097 54.000 0.080 0.000 0.718 596 D CB -1.144 39.694 40.800 0.064 0.000 1.084 596 D HN 0.819 nan 8.370 nan 0.000 0.432 597 G N -2.478 106.394 108.800 0.121 0.000 2.217 597 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.246 597 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.246 597 G C 0.322 175.377 174.900 0.259 0.000 0.990 597 G CA 0.174 45.335 45.100 0.102 0.000 0.627 597 G HN 0.936 nan 8.290 nan 0.000 0.522 598 V N 2.615 122.678 119.914 0.249 0.000 2.383 598 V HA 0.463 4.583 4.120 -0.001 0.000 0.275 598 V C -1.740 174.467 176.094 0.189 0.000 1.036 598 V CA -1.624 60.801 62.300 0.209 0.000 0.889 598 V CB 1.608 33.504 31.823 0.122 0.000 0.985 598 V HN 0.082 nan 8.190 nan 0.000 0.459 599 P HA 0.077 nan 4.420 nan 0.000 0.264 599 P C 0.318 177.593 177.300 -0.042 0.000 1.193 599 P CA 0.457 63.457 63.100 -0.167 0.000 0.763 599 P CB 0.868 32.486 31.700 -0.136 0.000 0.810 600 V N 2.747 122.646 119.914 -0.024 0.000 3.480 600 V HA 0.256 4.375 4.120 -0.001 0.000 0.263 600 V C -0.307 175.905 176.094 0.196 0.000 1.442 600 V CA 0.108 62.463 62.300 0.091 0.000 1.053 600 V CB 0.305 32.202 31.823 0.123 0.000 0.846 600 V HN 0.628 nan 8.190 nan 0.000 0.440 601 W N 0.088 121.350 121.300 -0.064 0.000 3.363 601 W HA 0.529 5.188 4.660 -0.002 0.000 0.306 601 W C -0.133 176.356 176.519 -0.051 0.000 1.253 601 W CA 0.183 57.508 57.345 -0.033 0.000 1.195 601 W CB 1.531 31.004 29.460 0.022 0.000 1.366 601 W HN 0.387 nan 8.180 nan 0.000 0.551 602 G N 1.896 109.985 108.800 -1.186 0.000 2.781 602 G HA2 0.117 4.076 3.960 -0.001 0.000 0.683 602 G HA3 0.117 4.076 3.960 -0.001 0.000 0.683 602 G C -0.660 173.989 174.900 -0.418 0.000 1.390 602 G CA -0.171 44.375 45.100 -0.923 0.000 0.850 602 G HN 1.496 nan 8.290 nan 0.000 0.557 603 T N -1.604 112.796 114.554 -0.257 0.000 2.824 603 T HA 0.929 5.278 4.350 -0.001 0.000 0.282 603 T C 0.425 175.227 174.700 0.171 0.000 0.993 603 T CA 0.694 62.768 62.100 -0.044 0.000 0.967 603 T CB 1.818 70.685 68.868 -0.001 0.000 0.960 603 T HN 2.322 nan 8.240 nan 0.000 0.441 604 A N 4.164 126.928 122.820 -0.093 0.000 2.272 604 A HA 0.820 5.139 4.320 -0.001 0.000 0.275 604 A C -2.215 174.807 177.584 -0.936 0.000 1.096 604 A CA -1.570 50.117 52.037 -0.584 0.000 0.822 604 A CB -0.630 18.021 19.000 -0.581 0.000 1.088 604 A HN 0.730 nan 8.150 nan 0.000 0.495 605 P HA 0.000 nan 4.420 nan 0.000 0.216 605 P CA 0.000 61.982 63.100 -1.864 0.000 0.800 605 P CB 0.000 30.695 31.700 -1.675 0.000 0.726