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 1ezv_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAFRKSNVYL SLVNSYIIDS PQPSSINYWW NMGSLLGLCL VIQIVTGIFM DATA SEQUENCE AMHYSSNIEL AFSSVEHIMR DVHNGYILRY LHANGASFFF MVMFMHMAKG DATA SEQUENCE LYYGSYRSPR VTLWNVGVII FTLTIATAFL GYCCVYGQMS HWGATVITNL DATA SEQUENCE FSAIPFVGND IVSWLWGGFS VSNPTIQRFF ALHYLVPFII AAMVIMHLMA DATA SEQUENCE LHIHGSSNPL GITGNLDRIP MHSYFIFKDL VTVFLFMLIL ALFVFYSPNT DATA SEQUENCE LGHPDNYIPG NPLVTPASIV PEWYLLPFYA ILRSIPDKLL GVITMFAAIL DATA SEQUENCE VLLVLPFTDR SVVRGNTFKV LSKFFFFIFV FNFVLLGQIG ACHVEVPYVL DATA SEQUENCE MGQIATFIYF AYFLIIVPVI STIENVLFYI GRVNK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.342 176.300 0.071 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 A N 0.865 123.727 122.820 0.070 0.000 2.531 2 A HA 0.324 4.641 4.320 -0.004 0.000 0.236 2 A C 0.397 178.063 177.584 0.138 0.000 1.062 2 A CA -0.067 52.030 52.037 0.101 0.000 0.760 2 A CB -0.228 18.820 19.000 0.080 0.000 0.995 2 A HN 0.899 nan 8.150 nan 0.000 0.501 3 F N 2.260 122.218 119.950 0.012 0.000 2.161 3 F HA -0.230 4.294 4.527 -0.004 0.000 0.300 3 F C 2.527 178.334 175.800 0.013 0.000 1.089 3 F CA 2.087 60.093 58.000 0.010 0.000 1.282 3 F CB 0.071 39.078 39.000 0.011 0.000 1.010 3 F HN 0.810 nan 8.300 nan 0.000 0.485 4 R N 0.235 120.723 120.500 -0.021 0.000 2.193 4 R HA -0.172 4.165 4.340 -0.004 0.000 0.229 4 R C 1.670 177.900 176.300 -0.118 0.000 1.110 4 R CA 1.694 57.731 56.100 -0.105 0.000 0.988 4 R CB -0.409 29.889 30.300 -0.003 0.000 0.871 4 R HN 0.221 nan 8.270 nan 0.000 0.458 5 K N 0.647 121.002 120.400 -0.075 0.000 2.202 5 K HA 0.039 4.356 4.320 -0.004 0.000 0.201 5 K C 2.216 178.760 176.600 -0.093 0.000 1.051 5 K CA 1.222 57.476 56.287 -0.056 0.000 0.977 5 K CB 0.393 32.888 32.500 -0.008 0.000 0.792 5 K HN 0.313 nan 8.250 nan 0.000 0.469 6 S N 0.037 115.671 115.700 -0.110 0.000 2.425 6 S HA -0.019 4.449 4.470 -0.004 0.000 0.225 6 S C 0.854 175.346 174.600 -0.181 0.000 1.024 6 S CA -0.008 58.140 58.200 -0.088 0.000 0.951 6 S CB -0.447 62.764 63.200 0.018 0.000 0.796 6 S HN 0.193 nan 8.310 nan 0.000 0.498 7 N N 0.860 119.316 118.700 -0.406 0.000 2.492 7 N HA 0.119 4.857 4.740 -0.004 0.000 0.260 7 N C 0.894 176.200 175.510 -0.341 0.000 1.215 7 N CA 0.354 53.120 53.050 -0.474 0.000 0.923 7 N CB 1.353 39.279 38.487 -0.935 0.000 1.092 7 N HN 0.025 nan 8.380 nan 0.000 0.448 8 V N 4.289 123.976 119.914 -0.379 0.000 2.407 8 V HA -0.201 3.917 4.120 -0.004 0.000 0.248 8 V C 0.885 176.753 176.094 -0.377 0.000 1.055 8 V CA 1.757 63.807 62.300 -0.416 0.000 1.049 8 V CB -0.781 30.703 31.823 -0.565 0.000 0.662 8 V HN 0.805 nan 8.190 nan 0.000 0.455 9 Y N -0.939 119.303 120.300 -0.097 0.000 2.301 9 Y HA 0.112 4.660 4.550 -0.004 0.000 0.295 9 Y C 2.317 178.159 175.900 -0.097 0.000 1.119 9 Y CA 0.857 58.908 58.100 -0.082 0.000 1.162 9 Y CB -0.008 38.415 38.460 -0.062 0.000 1.046 9 Y HN 0.122 nan 8.280 nan 0.000 0.538 10 L N -0.007 121.195 121.223 -0.033 0.000 2.141 10 L HA -0.188 4.149 4.340 -0.004 0.000 0.209 10 L C 2.553 179.381 176.870 -0.070 0.000 1.094 10 L CA 1.468 56.259 54.840 -0.082 0.000 0.763 10 L CB -0.606 41.322 42.059 -0.219 0.000 0.908 10 L HN 0.327 nan 8.230 nan 0.000 0.437 11 S N -0.403 115.241 115.700 -0.094 0.000 2.402 11 S HA -0.160 4.307 4.470 -0.004 0.000 0.229 11 S C 1.988 176.602 174.600 0.023 0.000 1.021 11 S CA 0.530 58.702 58.200 -0.047 0.000 0.974 11 S CB -0.411 62.749 63.200 -0.066 0.000 0.800 11 S HN 0.222 nan 8.310 nan 0.000 0.484 12 L N 1.661 122.904 121.223 0.034 0.000 2.017 12 L HA -0.010 4.327 4.340 -0.004 0.000 0.208 12 L C 2.713 179.657 176.870 0.124 0.000 1.073 12 L CA 1.454 56.347 54.840 0.087 0.000 0.745 12 L CB -1.409 40.661 42.059 0.020 0.000 0.894 12 L HN 0.289 nan 8.230 nan 0.000 0.432 13 V N 0.113 120.061 119.914 0.056 0.000 2.407 13 V HA -0.297 3.821 4.120 -0.004 0.000 0.248 13 V C 2.424 178.572 176.094 0.090 0.000 1.055 13 V CA 1.886 64.220 62.300 0.057 0.000 1.049 13 V CB -0.735 31.098 31.823 0.017 0.000 0.662 13 V HN 0.580 nan 8.190 nan 0.000 0.455 14 N N 0.609 119.350 118.700 0.067 0.000 2.142 14 N HA -0.165 4.572 4.740 -0.004 0.000 0.186 14 N C 2.029 177.602 175.510 0.104 0.000 1.023 14 N CA 1.848 54.938 53.050 0.067 0.000 0.852 14 N CB 0.036 38.542 38.487 0.032 0.000 0.998 14 N HN 0.597 nan 8.380 nan 0.000 0.424 15 S N -1.152 114.622 115.700 0.124 0.000 2.461 15 S HA -0.037 4.431 4.470 -0.004 0.000 0.228 15 S C 1.543 176.222 174.600 0.131 0.000 1.005 15 S CA 0.337 58.613 58.200 0.127 0.000 0.942 15 S CB -0.438 62.826 63.200 0.107 0.000 0.776 15 S HN 0.385 nan 8.310 nan 0.000 0.514 16 Y N 0.290 120.630 120.300 0.067 0.000 2.503 16 Y HA 0.494 5.042 4.550 -0.004 0.000 0.277 16 Y C 1.762 177.711 175.900 0.082 0.000 1.102 16 Y CA 0.189 58.333 58.100 0.074 0.000 1.261 16 Y CB 0.227 38.677 38.460 -0.017 0.000 1.096 16 Y HN 0.254 nan 8.280 nan 0.000 0.546 17 I N -2.059 118.637 120.570 0.209 0.000 4.624 17 I HA 0.054 4.222 4.170 -0.004 0.000 0.327 17 I C 1.109 177.319 176.117 0.155 0.000 1.295 17 I CA 0.357 61.751 61.300 0.157 0.000 1.267 17 I CB 0.649 38.713 38.000 0.107 0.000 1.249 17 I HN -0.001 nan 8.210 nan 0.000 0.440 18 I N -0.024 120.633 120.570 0.145 0.000 3.393 18 I HA 0.074 4.242 4.170 -0.004 0.000 0.250 18 I C 1.001 177.233 176.117 0.190 0.000 1.122 18 I CA 0.522 61.926 61.300 0.173 0.000 1.484 18 I CB 0.185 38.238 38.000 0.088 0.000 1.468 18 I HN -0.054 nan 8.210 nan 0.000 0.461 19 D N 0.746 121.227 120.400 0.134 0.000 2.349 19 D HA 0.042 4.679 4.640 -0.004 0.000 0.214 19 D C 0.817 177.168 176.300 0.085 0.000 1.063 19 D CA 0.314 54.381 54.000 0.112 0.000 0.847 19 D CB 0.216 41.064 40.800 0.080 0.000 0.933 19 D HN -0.043 nan 8.370 nan 0.000 0.513 20 S N 2.206 117.957 115.700 0.085 0.000 2.629 20 S HA 0.043 4.510 4.470 -0.004 0.000 0.302 20 S C -2.506 172.102 174.600 0.014 0.000 1.244 20 S CA -1.014 57.203 58.200 0.029 0.000 1.098 20 S CB 0.418 63.644 63.200 0.044 0.000 0.858 20 S HN -0.120 nan 8.310 nan 0.000 0.502 21 P HA 0.221 nan 4.420 nan 0.000 0.275 21 P C -0.799 176.456 177.300 -0.076 0.000 1.276 21 P CA -0.269 62.812 63.100 -0.031 0.000 0.782 21 P CB 0.524 32.193 31.700 -0.052 0.000 0.851 22 Q N 4.475 124.234 119.800 -0.067 0.000 2.245 22 Q HA 0.414 4.752 4.340 -0.004 0.000 0.256 22 Q C -2.379 173.526 176.000 -0.157 0.000 0.942 22 Q CA -2.626 53.053 55.803 -0.207 0.000 0.896 22 Q CB 0.428 28.870 28.738 -0.494 0.000 1.272 22 Q HN 0.298 nan 8.270 nan 0.000 0.442 23 P HA -0.028 nan 4.420 nan 0.000 0.267 23 P C 0.558 177.772 177.300 -0.143 0.000 1.205 23 P CA 0.256 63.243 63.100 -0.189 0.000 0.765 23 P CB 0.549 32.094 31.700 -0.257 0.000 0.828 24 S N 1.414 117.065 115.700 -0.081 0.000 2.442 24 S HA -0.156 4.312 4.470 -0.004 0.000 0.236 24 S C 1.423 175.999 174.600 -0.040 0.000 1.007 24 S CA 1.436 59.615 58.200 -0.036 0.000 0.965 24 S CB -1.018 62.130 63.200 -0.087 0.000 0.773 24 S HN 0.524 nan 8.310 nan 0.000 0.504 25 S N 1.431 117.056 115.700 -0.125 0.000 2.540 25 S HA 0.340 4.807 4.470 -0.004 0.000 0.218 25 S C 0.646 175.088 174.600 -0.264 0.000 0.977 25 S CA -0.754 57.356 58.200 -0.149 0.000 0.918 25 S CB -0.949 62.172 63.200 -0.132 0.000 0.806 25 S HN 0.702 nan 8.310 nan 0.000 0.496 26 I N 2.155 122.481 120.570 -0.407 0.000 2.710 26 I HA 0.292 4.459 4.170 -0.004 0.000 0.286 26 I C 0.149 176.101 176.117 -0.276 0.000 1.181 26 I CA -0.583 60.277 61.300 -0.734 0.000 1.430 26 I CB -0.002 37.360 38.000 -1.063 0.000 1.367 26 I HN 0.201 nan 8.210 nan 0.000 0.577 27 N N 3.886 122.511 118.700 -0.125 0.000 2.604 27 N HA 0.199 4.937 4.740 -0.004 0.000 0.297 27 N C 0.209 175.867 175.510 0.246 0.000 1.266 27 N CA -0.519 52.600 53.050 0.115 0.000 0.961 27 N CB -0.001 38.645 38.487 0.265 0.000 1.166 27 N HN 0.589 nan 8.380 nan 0.000 0.601 28 Y N -1.555 118.844 120.300 0.165 0.000 2.569 28 Y HA -0.028 4.520 4.550 -0.004 0.000 0.293 28 Y C 1.150 177.071 175.900 0.035 0.000 1.144 28 Y CA 0.722 58.861 58.100 0.065 0.000 1.321 28 Y CB -0.380 38.029 38.460 -0.085 0.000 0.982 28 Y HN 0.543 nan 8.280 nan 0.000 0.558 29 W N -1.921 119.649 121.300 0.450 0.000 2.465 29 W HA -0.168 4.490 4.660 -0.004 0.000 0.268 29 W C 1.581 178.233 176.519 0.221 0.000 1.242 29 W CA 0.351 57.881 57.345 0.309 0.000 1.248 29 W CB -0.354 29.263 29.460 0.262 0.000 1.118 29 W HN 0.125 nan 8.180 nan 0.000 0.587 30 W N 0.202 121.655 121.300 0.255 0.000 3.345 30 W HA 0.002 4.659 4.660 -0.004 0.000 0.282 30 W C 0.640 177.242 176.519 0.139 0.000 1.302 30 W CA 0.106 57.549 57.345 0.165 0.000 1.724 30 W CB -0.368 29.111 29.460 0.032 0.000 1.104 30 W HN -0.071 nan 8.180 nan 0.000 0.694 31 N N -0.176 118.719 118.700 0.325 0.000 2.412 31 N HA -0.068 4.669 4.740 -0.004 0.000 0.184 31 N C 1.804 177.393 175.510 0.131 0.000 1.101 31 N CA 0.704 53.885 53.050 0.218 0.000 0.881 31 N CB -0.217 38.418 38.487 0.246 0.000 0.969 31 N HN -0.052 nan 8.380 nan 0.000 0.459 32 M N -0.442 119.251 119.600 0.154 0.000 2.175 32 M HA 0.087 4.565 4.480 -0.004 0.000 0.264 32 M C 2.120 178.351 176.300 -0.115 0.000 1.063 32 M CA 0.932 56.277 55.300 0.076 0.000 1.119 32 M CB -1.443 31.288 32.600 0.218 0.000 1.377 32 M HN 0.156 nan 8.290 nan 0.000 0.415 33 G N 0.639 109.354 108.800 -0.141 0.000 2.418 33 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.217 33 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.217 33 G C 1.718 176.536 174.900 -0.138 0.000 1.158 33 G CA 1.537 46.485 45.100 -0.254 0.000 0.771 33 G HN 0.590 nan 8.290 nan 0.000 0.545 34 S N 0.380 116.038 115.700 -0.070 0.000 2.383 34 S HA -0.005 4.462 4.470 -0.004 0.000 0.227 34 S C 2.220 176.711 174.600 -0.183 0.000 1.026 34 S CA 1.027 59.174 58.200 -0.089 0.000 0.981 34 S CB -0.313 62.861 63.200 -0.043 0.000 0.818 34 S HN 0.086 nan 8.310 nan 0.000 0.472 35 L N 1.279 122.371 121.223 -0.218 0.000 2.141 35 L HA 0.180 4.518 4.340 -0.004 0.000 0.209 35 L C 2.347 178.965 176.870 -0.420 0.000 1.094 35 L CA 1.211 55.815 54.840 -0.394 0.000 0.763 35 L CB -0.817 41.035 42.059 -0.346 0.000 0.908 35 L HN 0.354 nan 8.230 nan 0.000 0.437 36 L N -1.689 119.366 121.223 -0.279 0.000 2.109 36 L HA -0.083 4.255 4.340 -0.004 0.000 0.207 36 L C 2.449 179.148 176.870 -0.285 0.000 1.086 36 L CA 1.108 55.807 54.840 -0.234 0.000 0.760 36 L CB -1.071 40.906 42.059 -0.137 0.000 0.910 36 L HN 0.370 nan 8.230 nan 0.000 0.437 37 G N -0.138 108.528 108.800 -0.223 0.000 2.402 37 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.216 37 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.216 37 G C 1.604 176.353 174.900 -0.252 0.000 1.162 37 G CA 0.232 45.217 45.100 -0.192 0.000 0.777 37 G HN 0.196 nan 8.290 nan 0.000 0.539 38 L N 0.344 121.395 121.223 -0.288 0.000 2.012 38 L HA -0.145 4.192 4.340 -0.004 0.000 0.210 38 L C 2.881 179.541 176.870 -0.349 0.000 1.073 38 L CA 1.621 56.283 54.840 -0.296 0.000 0.748 38 L CB -0.526 41.320 42.059 -0.355 0.000 0.891 38 L HN 0.285 nan 8.230 nan 0.000 0.431 39 C N -0.449 118.542 119.300 -0.514 0.000 2.413 39 C HA -0.203 4.254 4.460 -0.004 0.000 0.276 39 C C 2.679 177.210 174.990 -0.765 0.000 1.248 39 C CA 0.757 59.378 59.018 -0.662 0.000 1.742 39 C CB -0.929 26.172 27.740 -1.064 0.000 2.017 39 C HN 0.581 nan 8.230 nan 0.000 0.481 40 L N 0.624 121.404 121.223 -0.738 0.000 2.083 40 L HA -0.081 4.257 4.340 -0.004 0.000 0.209 40 L C 2.446 179.148 176.870 -0.281 0.000 1.083 40 L CA 1.835 56.394 54.840 -0.469 0.000 0.752 40 L CB -0.627 41.280 42.059 -0.253 0.000 0.899 40 L HN 0.197 nan 8.230 nan 0.000 0.433 41 V N -0.361 119.413 119.914 -0.234 0.000 2.307 41 V HA -0.298 3.820 4.120 -0.004 0.000 0.245 41 V C 2.483 178.513 176.094 -0.107 0.000 1.045 41 V CA 2.099 64.313 62.300 -0.143 0.000 1.024 41 V CB -0.444 31.311 31.823 -0.113 0.000 0.651 41 V HN 0.394 nan 8.190 nan 0.000 0.449 42 I N -0.203 120.296 120.570 -0.120 0.000 2.194 42 I HA -0.295 3.872 4.170 -0.004 0.000 0.246 42 I C 2.719 178.826 176.117 -0.015 0.000 1.093 42 I CA 1.366 62.633 61.300 -0.054 0.000 1.355 42 I CB -0.342 37.636 38.000 -0.038 0.000 1.046 42 I HN 0.350 nan 8.210 nan 0.000 0.413 43 Q N 0.174 119.924 119.800 -0.083 0.000 2.123 43 Q HA -0.067 4.270 4.340 -0.004 0.000 0.199 43 Q C 2.302 178.346 176.000 0.073 0.000 0.966 43 Q CA 1.509 57.307 55.803 -0.008 0.000 0.845 43 Q CB -0.178 28.488 28.738 -0.120 0.000 0.907 43 Q HN 0.569 nan 8.270 nan 0.000 0.439 44 I N -0.235 120.297 120.570 -0.063 0.000 2.233 44 I HA -0.201 3.966 4.170 -0.004 0.000 0.243 44 I C 2.208 178.304 176.117 -0.035 0.000 1.093 44 I CA 0.628 61.854 61.300 -0.123 0.000 1.380 44 I CB -0.205 37.666 38.000 -0.215 0.000 1.067 44 I HN -0.033 nan 8.210 nan 0.000 0.413 45 V N 1.115 121.047 119.914 0.030 0.000 2.261 45 V HA -0.293 3.825 4.120 -0.004 0.000 0.246 45 V C 2.708 178.931 176.094 0.215 0.000 1.047 45 V CA 2.636 65.019 62.300 0.138 0.000 1.015 45 V CB -1.243 30.653 31.823 0.122 0.000 0.642 45 V HN 0.619 nan 8.190 nan 0.000 0.446 46 T N -1.492 113.141 114.554 0.132 0.000 2.867 46 T HA -0.062 4.286 4.350 -0.004 0.000 0.268 46 T C 1.927 176.603 174.700 -0.041 0.000 1.057 46 T CA 1.369 63.528 62.100 0.098 0.000 1.136 46 T CB -0.677 68.260 68.868 0.116 0.000 0.874 46 T HN 0.485 nan 8.240 nan 0.000 0.466 47 G N 1.280 110.002 108.800 -0.129 0.000 2.408 47 G HA2 0.021 3.978 3.960 -0.004 0.000 0.217 47 G HA3 0.021 3.978 3.960 -0.004 0.000 0.217 47 G C 1.515 176.281 174.900 -0.223 0.000 1.150 47 G CA 0.493 45.384 45.100 -0.348 0.000 0.776 47 G HN 0.550 nan 8.290 nan 0.000 0.542 48 I N -0.488 119.989 120.570 -0.155 0.000 2.252 48 I HA -0.049 4.118 4.170 -0.004 0.000 0.245 48 I C 2.340 178.376 176.117 -0.135 0.000 1.102 48 I CA 0.755 61.952 61.300 -0.173 0.000 1.385 48 I CB -0.171 37.742 38.000 -0.145 0.000 1.064 48 I HN 0.078 nan 8.210 nan 0.000 0.414 49 F N 0.161 120.087 119.950 -0.040 0.000 2.234 49 F HA -0.154 4.370 4.527 -0.004 0.000 0.299 49 F C 2.510 178.336 175.800 0.042 0.000 1.087 49 F CA 1.255 59.257 58.000 0.003 0.000 1.340 49 F CB -0.291 38.713 39.000 0.007 0.000 1.031 49 F HN -0.034 nan 8.300 nan 0.000 0.500 50 M N -0.855 118.828 119.600 0.139 0.000 2.200 50 M HA -0.106 4.371 4.480 -0.004 0.000 0.265 50 M C 2.508 178.870 176.300 0.103 0.000 1.066 50 M CA 1.296 56.655 55.300 0.099 0.000 1.127 50 M CB -0.561 31.998 32.600 -0.069 0.000 1.379 50 M HN 0.161 nan 8.290 nan 0.000 0.420 51 A N 0.410 123.260 122.820 0.050 0.000 1.978 51 A HA -0.178 4.139 4.320 -0.004 0.000 0.220 51 A C 2.054 179.709 177.584 0.118 0.000 1.170 51 A CA 1.480 53.604 52.037 0.145 0.000 0.636 51 A CB -0.698 18.443 19.000 0.234 0.000 0.810 51 A HN 0.485 nan 8.150 nan 0.000 0.448 52 M N -1.224 118.374 119.600 -0.004 0.000 2.358 52 M HA -0.126 4.352 4.480 -0.004 0.000 0.264 52 M C 1.036 177.159 176.300 -0.293 0.000 1.064 52 M CA 1.109 56.299 55.300 -0.183 0.000 1.093 52 M CB -0.247 32.153 32.600 -0.333 0.000 1.401 52 M HN 0.483 nan 8.290 nan 0.000 0.440 53 H N -3.025 116.102 119.070 0.094 0.000 3.058 53 H HA 0.183 4.736 4.556 -0.005 0.000 0.266 53 H C -0.785 174.618 175.328 0.123 0.000 1.135 53 H CA -0.138 55.981 56.048 0.118 0.000 1.174 53 H CB 0.344 30.163 29.762 0.094 0.000 1.581 53 H HN 0.246 nan 8.280 nan 0.000 0.553 54 Y N 1.643 121.952 120.300 0.014 0.000 2.342 54 Y HA 0.424 4.972 4.550 -0.002 0.000 0.334 54 Y C -0.444 175.341 175.900 -0.191 0.000 1.067 54 Y CA -0.657 57.377 58.100 -0.110 0.000 1.128 54 Y CB 1.290 39.610 38.460 -0.233 0.000 1.200 54 Y HN -0.212 nan 8.280 nan 0.000 0.464 55 S N 2.947 118.075 115.700 -0.954 0.000 2.478 55 S HA 0.179 4.646 4.470 -0.004 0.000 0.312 55 S C 0.422 174.345 174.600 -1.129 0.000 1.094 55 S CA -0.335 57.402 58.200 -0.771 0.000 1.081 55 S CB 1.380 64.329 63.200 -0.418 0.000 1.007 55 S HN 0.787 nan 8.310 nan 0.000 0.475 56 S N 2.310 117.604 115.700 -0.677 0.000 2.528 56 S HA 0.059 4.526 4.470 -0.004 0.000 0.219 56 S C 0.339 174.810 174.600 -0.215 0.000 0.985 56 S CA -0.166 57.819 58.200 -0.359 0.000 0.914 56 S CB -0.446 62.767 63.200 0.021 0.000 0.776 56 S HN 0.640 nan 8.310 nan 0.000 0.526 57 N N 1.627 120.191 118.700 -0.227 0.000 2.356 57 N HA 0.144 4.882 4.740 -0.004 0.000 0.252 57 N C 0.746 176.126 175.510 -0.216 0.000 1.241 57 N CA 0.200 53.138 53.050 -0.187 0.000 0.861 57 N CB 0.349 38.740 38.487 -0.161 0.000 1.075 57 N HN 0.262 nan 8.380 nan 0.000 0.461 58 I N 1.540 121.960 120.570 -0.250 0.000 2.614 58 I HA -0.239 3.929 4.170 -0.004 0.000 0.258 58 I C 1.050 177.022 176.117 -0.241 0.000 1.189 58 I CA 1.357 62.431 61.300 -0.378 0.000 1.462 58 I CB 0.132 37.841 38.000 -0.485 0.000 1.092 58 I HN 0.570 nan 8.210 nan 0.000 0.442 59 E N 0.339 120.446 120.200 -0.155 0.000 2.208 59 E HA -0.088 4.260 4.350 -0.004 0.000 0.193 59 E C 1.719 178.286 176.600 -0.054 0.000 0.988 59 E CA 1.016 57.365 56.400 -0.084 0.000 0.828 59 E CB 0.028 29.680 29.700 -0.079 0.000 0.763 59 E HN 0.490 nan 8.360 nan 0.000 0.478 60 L N -0.808 120.357 121.223 -0.096 0.000 2.701 60 L HA 0.359 4.697 4.340 -0.004 0.000 0.238 60 L C 2.021 178.824 176.870 -0.112 0.000 1.106 60 L CA 0.239 55.018 54.840 -0.101 0.000 0.898 60 L CB 0.081 42.046 42.059 -0.157 0.000 1.188 60 L HN 0.077 nan 8.230 nan 0.000 0.508 61 A N 0.692 123.446 122.820 -0.110 0.000 1.877 61 A HA -0.250 4.067 4.320 -0.004 0.000 0.216 61 A C 2.113 179.743 177.584 0.077 0.000 1.186 61 A CA 1.604 53.564 52.037 -0.129 0.000 0.620 61 A CB -0.730 18.265 19.000 -0.009 0.000 0.822 61 A HN 0.375 nan 8.150 nan 0.000 0.443 62 F N 1.005 120.990 119.950 0.059 0.000 2.134 62 F HA -0.137 4.387 4.527 -0.004 0.000 0.299 62 F C 2.574 178.404 175.800 0.051 0.000 1.097 62 F CA 1.901 59.948 58.000 0.078 0.000 1.264 62 F CB -0.073 38.981 39.000 0.090 0.000 1.001 62 F HN 0.194 nan 8.300 nan 0.000 0.479 63 S N -0.645 115.204 115.700 0.248 0.000 2.406 63 S HA -0.170 4.298 4.470 -0.004 0.000 0.228 63 S C 2.191 176.816 174.600 0.042 0.000 1.020 63 S CA 1.147 59.432 58.200 0.142 0.000 0.965 63 S CB -0.522 62.742 63.200 0.106 0.000 0.798 63 S HN 0.589 nan 8.310 nan 0.000 0.488 64 S N 1.075 116.768 115.700 -0.012 0.000 2.428 64 S HA -0.006 4.461 4.470 -0.004 0.000 0.230 64 S C 1.745 176.390 174.600 0.075 0.000 1.014 64 S CA 0.778 58.973 58.200 -0.009 0.000 0.957 64 S CB -0.357 62.733 63.200 -0.184 0.000 0.784 64 S HN 0.279 nan 8.310 nan 0.000 0.499 65 V N 1.709 121.630 119.914 0.013 0.000 2.535 65 V HA 0.010 4.128 4.120 -0.004 0.000 0.246 65 V C 2.885 178.921 176.094 -0.097 0.000 1.045 65 V CA 1.436 63.716 62.300 -0.035 0.000 1.058 65 V CB -0.627 31.125 31.823 -0.118 0.000 0.689 65 V HN 0.396 nan 8.190 nan 0.000 0.461 66 E N 0.148 120.275 120.200 -0.123 0.000 2.118 66 E HA -0.261 4.087 4.350 -0.004 0.000 0.195 66 E C 2.119 178.727 176.600 0.014 0.000 0.992 66 E CA 1.720 58.088 56.400 -0.054 0.000 0.804 66 E CB -0.355 29.346 29.700 0.002 0.000 0.741 66 E HN 0.825 nan 8.360 nan 0.000 0.458 67 H N 0.420 119.454 119.070 -0.060 0.000 2.387 67 H HA -0.008 4.546 4.556 -0.003 0.000 0.299 67 H C 2.062 177.329 175.328 -0.102 0.000 1.090 67 H CA 1.557 57.566 56.048 -0.065 0.000 1.332 67 H CB -0.255 29.477 29.762 -0.050 0.000 1.386 67 H HN 0.076 nan 8.280 nan 0.000 0.516 68 I N -0.289 120.170 120.570 -0.186 0.000 2.315 68 I HA -0.243 3.925 4.170 -0.004 0.000 0.248 68 I C 1.971 177.948 176.117 -0.232 0.000 1.117 68 I CA 0.860 61.989 61.300 -0.286 0.000 1.404 68 I CB -0.169 37.749 38.000 -0.137 0.000 1.071 68 I HN 0.344 nan 8.210 nan 0.000 0.419 69 M N -0.114 119.396 119.600 -0.150 0.000 2.175 69 M HA -0.125 4.353 4.480 -0.004 0.000 0.264 69 M C 2.275 178.537 176.300 -0.063 0.000 1.063 69 M CA 1.801 57.039 55.300 -0.103 0.000 1.119 69 M CB -0.933 31.615 32.600 -0.087 0.000 1.377 69 M HN 0.202 nan 8.290 nan 0.000 0.415 70 R N -0.661 119.785 120.500 -0.089 0.000 2.142 70 R HA 0.016 4.353 4.340 -0.004 0.000 0.204 70 R C 1.364 177.602 176.300 -0.104 0.000 1.059 70 R CA 0.737 56.799 56.100 -0.063 0.000 1.055 70 R CB 0.263 30.549 30.300 -0.023 0.000 0.976 70 R HN 0.287 nan 8.270 nan 0.000 0.483 71 D N -0.086 120.188 120.400 -0.210 0.000 2.380 71 D HA 0.052 4.689 4.640 -0.004 0.000 0.212 71 D C 0.175 176.190 176.300 -0.476 0.000 1.021 71 D CA 0.354 54.193 54.000 -0.269 0.000 0.884 71 D CB 0.499 41.194 40.800 -0.175 0.000 1.001 71 D HN -0.112 nan 8.370 nan 0.000 0.506 72 V N 3.468 123.038 119.914 -0.573 0.000 2.508 72 V HA -0.006 4.112 4.120 -0.004 0.000 0.281 72 V C 0.298 176.132 176.094 -0.433 0.000 1.041 72 V CA -0.382 61.540 62.300 -0.630 0.000 1.016 72 V CB 0.570 31.939 31.823 -0.757 0.000 0.984 72 V HN 0.198 nan 8.190 nan 0.000 0.478 73 H N 5.476 124.466 119.070 -0.133 0.000 3.046 73 H HA 0.047 4.601 4.556 -0.004 0.000 0.303 73 H C 1.100 176.367 175.328 -0.101 0.000 1.002 73 H CA 0.801 56.810 56.048 -0.065 0.000 1.460 73 H CB -0.288 29.456 29.762 -0.030 0.000 1.493 73 H HN 0.858 nan 8.280 nan 0.000 0.559 74 N N 0.778 119.475 118.700 -0.005 0.000 2.800 74 N HA -0.204 4.534 4.740 -0.004 0.000 0.250 74 N C 1.555 176.849 175.510 -0.361 0.000 1.078 74 N CA 0.530 53.439 53.050 -0.235 0.000 0.804 74 N CB -0.998 37.389 38.487 -0.167 0.000 1.135 74 N HN 0.793 nan 8.380 nan 0.000 0.565 75 G N 0.428 109.082 108.800 -0.243 0.000 2.422 75 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.218 75 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.218 75 G C 1.072 175.817 174.900 -0.259 0.000 1.146 75 G CA 1.338 46.290 45.100 -0.246 0.000 0.769 75 G HN 0.717 nan 8.290 nan 0.000 0.547 76 Y N 0.033 120.211 120.300 -0.203 0.000 2.352 76 Y HA 0.158 4.705 4.550 -0.004 0.000 0.292 76 Y C 2.345 178.102 175.900 -0.238 0.000 1.136 76 Y CA 0.509 58.428 58.100 -0.303 0.000 1.227 76 Y CB -0.427 37.913 38.460 -0.200 0.000 0.991 76 Y HN 0.182 nan 8.280 nan 0.000 0.545 77 I N 0.489 120.524 120.570 -0.892 0.000 2.252 77 I HA -0.248 3.919 4.170 -0.004 0.000 0.245 77 I C 2.353 178.301 176.117 -0.282 0.000 1.102 77 I CA 1.196 62.150 61.300 -0.577 0.000 1.385 77 I CB -0.331 37.313 38.000 -0.594 0.000 1.064 77 I HN 0.282 nan 8.210 nan 0.000 0.414 78 L N 0.003 121.071 121.223 -0.258 0.000 2.017 78 L HA -0.207 4.130 4.340 -0.004 0.000 0.208 78 L C 2.791 179.617 176.870 -0.075 0.000 1.073 78 L CA 1.150 55.907 54.840 -0.138 0.000 0.745 78 L CB -0.723 41.265 42.059 -0.119 0.000 0.894 78 L HN 0.244 nan 8.230 nan 0.000 0.432 79 R N -0.212 120.207 120.500 -0.134 0.000 2.066 79 R HA -0.166 4.171 4.340 -0.004 0.000 0.232 79 R C 2.337 178.656 176.300 0.031 0.000 1.131 79 R CA 1.682 57.724 56.100 -0.096 0.000 0.955 79 R CB -0.471 29.690 30.300 -0.232 0.000 0.851 79 R HN 0.259 nan 8.270 nan 0.000 0.432 80 Y N 0.814 121.121 120.300 0.012 0.000 2.293 80 Y HA -0.080 4.467 4.550 -0.004 0.000 0.291 80 Y C 2.331 178.226 175.900 -0.008 0.000 1.137 80 Y CA 0.462 58.572 58.100 0.017 0.000 1.202 80 Y CB -0.567 37.877 38.460 -0.026 0.000 0.990 80 Y HN 0.002 nan 8.280 nan 0.000 0.537 81 L N -1.264 120.019 121.223 0.101 0.000 1.994 81 L HA -0.280 4.058 4.340 -0.004 0.000 0.208 81 L C 2.430 179.365 176.870 0.107 0.000 1.071 81 L CA 1.753 56.616 54.840 0.039 0.000 0.745 81 L CB -0.483 41.574 42.059 -0.004 0.000 0.892 81 L HN 0.228 nan 8.230 nan 0.000 0.431 82 H N -0.489 118.606 119.070 0.042 0.000 2.319 82 H HA -0.185 4.369 4.556 -0.004 0.000 0.299 82 H C 2.065 177.476 175.328 0.138 0.000 1.092 82 H CA 1.977 58.069 56.048 0.072 0.000 1.302 82 H CB 0.047 29.841 29.762 0.054 0.000 1.373 82 H HN 0.377 nan 8.280 nan 0.000 0.497 83 A N 0.115 123.082 122.820 0.246 0.000 1.872 83 A HA -0.131 4.187 4.320 -0.004 0.000 0.214 83 A C 2.264 180.012 177.584 0.272 0.000 1.187 83 A CA 1.454 53.647 52.037 0.259 0.000 0.614 83 A CB -0.280 18.904 19.000 0.308 0.000 0.826 83 A HN 0.509 nan 8.150 nan 0.000 0.442 84 N N -0.014 118.832 118.700 0.243 0.000 2.270 84 N HA -0.093 4.645 4.740 -0.004 0.000 0.181 84 N C 1.836 177.492 175.510 0.242 0.000 1.016 84 N CA 1.157 54.352 53.050 0.243 0.000 0.870 84 N CB -0.338 38.227 38.487 0.129 0.000 0.979 84 N HN 0.485 nan 8.380 nan 0.000 0.431 85 G N 0.974 109.844 108.800 0.116 0.000 2.422 85 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.218 85 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.218 85 G C 1.683 176.710 174.900 0.211 0.000 1.146 85 G CA 0.948 46.116 45.100 0.113 0.000 0.769 85 G HN 0.375 nan 8.290 nan 0.000 0.547 86 A N 0.716 123.635 122.820 0.166 0.000 1.908 86 A HA -0.023 4.295 4.320 -0.004 0.000 0.218 86 A C 2.691 180.442 177.584 0.277 0.000 1.181 86 A CA 2.322 54.467 52.037 0.180 0.000 0.627 86 A CB -0.653 18.438 19.000 0.151 0.000 0.818 86 A HN 0.312 nan 8.150 nan 0.000 0.445 87 S N -1.365 114.603 115.700 0.448 0.000 2.368 87 S HA -0.048 4.419 4.470 -0.004 0.000 0.224 87 S C 1.589 176.541 174.600 0.587 0.000 1.029 87 S CA 1.209 59.804 58.200 0.659 0.000 0.988 87 S CB -0.477 63.210 63.200 0.812 0.000 0.838 87 S HN 0.576 nan 8.310 nan 0.000 0.462 88 F N 0.321 120.442 119.950 0.285 0.000 2.234 88 F HA -0.038 4.487 4.527 -0.004 0.000 0.299 88 F C 2.044 178.047 175.800 0.338 0.000 1.087 88 F CA 0.612 58.768 58.000 0.261 0.000 1.340 88 F CB -0.208 38.862 39.000 0.118 0.000 1.031 88 F HN 0.206 nan 8.300 nan 0.000 0.500 89 F N -0.048 120.007 119.950 0.175 0.000 2.134 89 F HA -0.213 4.311 4.527 -0.004 0.000 0.299 89 F C 1.850 177.435 175.800 -0.358 0.000 1.097 89 F CA 1.358 59.274 58.000 -0.140 0.000 1.264 89 F CB -1.070 37.723 39.000 -0.345 0.000 1.001 89 F HN -0.087 nan 8.300 nan 0.000 0.479 90 F N -0.376 119.564 119.950 -0.018 0.000 2.163 90 F HA -0.148 4.377 4.527 -0.004 0.000 0.297 90 F C 2.533 178.265 175.800 -0.113 0.000 1.094 90 F CA 1.154 58.944 58.000 -0.349 0.000 1.290 90 F CB -0.879 37.742 39.000 -0.631 0.000 1.017 90 F HN -0.120 nan 8.300 nan 0.000 0.483 91 M N -0.560 119.312 119.600 0.452 0.000 2.082 91 M HA -0.236 4.242 4.480 -0.004 0.000 0.258 91 M C 2.118 178.634 176.300 0.360 0.000 1.069 91 M CA 1.556 57.157 55.300 0.502 0.000 1.102 91 M CB -0.733 32.007 32.600 0.234 0.000 1.336 91 M HN -0.034 nan 8.290 nan 0.000 0.404 92 V N -0.241 119.839 119.914 0.277 0.000 2.453 92 V HA -0.234 3.884 4.120 -0.004 0.000 0.247 92 V C 2.295 178.509 176.094 0.200 0.000 1.048 92 V CA 1.509 63.960 62.300 0.251 0.000 1.049 92 V CB -0.497 31.459 31.823 0.222 0.000 0.672 92 V HN 0.516 nan 8.190 nan 0.000 0.457 93 M N -0.815 118.834 119.600 0.082 0.000 2.117 93 M HA -0.186 4.292 4.480 -0.004 0.000 0.262 93 M C 2.030 178.377 176.300 0.077 0.000 1.065 93 M CA 2.110 57.410 55.300 -0.000 0.000 1.114 93 M CB -0.183 32.272 32.600 -0.243 0.000 1.361 93 M HN 0.313 nan 8.290 nan 0.000 0.408 94 F N 0.118 120.194 119.950 0.210 0.000 2.171 94 F HA -0.189 4.335 4.527 -0.004 0.000 0.300 94 F C 2.210 178.101 175.800 0.153 0.000 1.090 94 F CA 1.420 59.518 58.000 0.162 0.000 1.293 94 F CB -0.845 38.307 39.000 0.255 0.000 1.013 94 F HN 0.164 nan 8.300 nan 0.000 0.486 95 M N -1.472 118.377 119.600 0.415 0.000 2.132 95 M HA -0.195 4.283 4.480 -0.004 0.000 0.263 95 M C 2.263 178.777 176.300 0.356 0.000 1.065 95 M CA 1.540 57.078 55.300 0.396 0.000 1.122 95 M CB -0.622 32.279 32.600 0.501 0.000 1.365 95 M HN 0.092 nan 8.290 nan 0.000 0.411 96 H N 0.340 119.535 119.070 0.207 0.000 2.353 96 H HA -0.093 4.461 4.556 -0.004 0.000 0.300 96 H C 1.819 177.219 175.328 0.120 0.000 1.090 96 H CA 2.109 58.241 56.048 0.140 0.000 1.327 96 H CB -0.008 29.813 29.762 0.097 0.000 1.383 96 H HN 0.251 nan 8.280 nan 0.000 0.508 97 M N -0.698 118.974 119.600 0.120 0.000 2.099 97 M HA -0.087 4.390 4.480 -0.004 0.000 0.262 97 M C 2.655 179.055 176.300 0.167 0.000 1.067 97 M CA 1.504 56.851 55.300 0.078 0.000 1.124 97 M CB -0.156 32.435 32.600 -0.014 0.000 1.353 97 M HN 0.419 nan 8.290 nan 0.000 0.410 98 A N 0.319 123.224 122.820 0.143 0.000 1.933 98 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 98 A C 2.223 179.825 177.584 0.029 0.000 1.175 98 A CA 1.636 53.759 52.037 0.144 0.000 0.628 98 A CB -0.644 18.420 19.000 0.107 0.000 0.814 98 A HN 0.317 nan 8.150 nan 0.000 0.444 99 K N 0.025 120.388 120.400 -0.062 0.000 2.063 99 K HA -0.153 4.165 4.320 -0.004 0.000 0.208 99 K C 2.035 178.602 176.600 -0.056 0.000 1.048 99 K CA 1.894 58.093 56.287 -0.146 0.000 0.928 99 K CB -0.935 31.518 32.500 -0.078 0.000 0.713 99 K HN 0.385 nan 8.250 nan 0.000 0.442 100 G N 1.297 110.095 108.800 -0.003 0.000 2.408 100 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.217 100 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.217 100 G C 1.588 176.512 174.900 0.040 0.000 1.150 100 G CA 0.484 45.619 45.100 0.057 0.000 0.776 100 G HN 0.241 nan 8.290 nan 0.000 0.542 101 L N -0.686 120.597 121.223 0.101 0.000 2.017 101 L HA 0.024 4.361 4.340 -0.004 0.000 0.208 101 L C 2.482 179.317 176.870 -0.059 0.000 1.073 101 L CA 1.450 56.346 54.840 0.094 0.000 0.745 101 L CB -0.919 41.265 42.059 0.209 0.000 0.894 101 L HN 0.367 nan 8.230 nan 0.000 0.432 102 Y N -1.445 118.543 120.300 -0.519 0.000 2.181 102 Y HA -0.288 4.260 4.550 -0.004 0.000 0.288 102 Y C 1.703 177.188 175.900 -0.693 0.000 1.146 102 Y CA 1.758 59.247 58.100 -1.018 0.000 1.164 102 Y CB -0.158 37.379 38.460 -1.539 0.000 0.982 102 Y HN 0.219 nan 8.280 nan 0.000 0.515 103 Y N -0.389 119.812 120.300 -0.165 0.000 2.493 103 Y HA 0.272 4.820 4.550 -0.004 0.000 0.275 103 Y C 1.551 177.306 175.900 -0.242 0.000 1.183 103 Y CA 0.026 58.051 58.100 -0.126 0.000 1.258 103 Y CB 0.334 38.811 38.460 0.027 0.000 1.108 103 Y HN 0.192 nan 8.280 nan 0.000 0.521 104 G N 0.046 108.680 108.800 -0.276 0.000 2.249 104 G HA2 -0.335 3.622 3.960 -0.004 0.000 0.273 104 G HA3 -0.335 3.622 3.960 -0.004 0.000 0.273 104 G C 0.952 175.390 174.900 -0.770 0.000 1.036 104 G CA 0.670 45.341 45.100 -0.716 0.000 0.824 104 G HN 0.410 nan 8.290 nan 0.000 0.504 105 S N -0.810 114.595 115.700 -0.492 0.000 2.453 105 S HA -0.042 4.426 4.470 -0.004 0.000 0.231 105 S C 1.868 176.253 174.600 -0.358 0.000 1.005 105 S CA 1.558 59.586 58.200 -0.287 0.000 0.949 105 S CB -0.327 62.812 63.200 -0.101 0.000 0.774 105 S HN 0.969 nan 8.310 nan 0.000 0.510 106 Y N 1.349 121.366 120.300 -0.472 0.000 2.571 106 Y HA 0.280 4.827 4.550 -0.004 0.000 0.294 106 Y C 0.830 176.480 175.900 -0.418 0.000 1.141 106 Y CA -0.616 57.079 58.100 -0.676 0.000 1.308 106 Y CB -0.666 36.766 38.460 -1.713 0.000 1.002 106 Y HN -0.037 nan 8.280 nan 0.000 0.551 107 R N 1.165 121.197 120.500 -0.780 0.000 2.707 107 R HA 0.130 4.467 4.340 -0.004 0.000 0.270 107 R C 0.596 176.722 176.300 -0.290 0.000 1.083 107 R CA 0.121 55.927 56.100 -0.489 0.000 1.182 107 R CB 0.445 30.440 30.300 -0.509 0.000 1.084 107 R HN 0.277 nan 8.270 nan 0.000 0.528 108 S N 1.894 117.452 115.700 -0.236 0.000 2.563 108 S HA 0.025 4.492 4.470 -0.004 0.000 0.294 108 S C -1.501 172.962 174.600 -0.227 0.000 1.279 108 S CA -1.069 57.012 58.200 -0.199 0.000 1.069 108 S CB 0.417 63.522 63.200 -0.159 0.000 0.828 108 S HN 0.459 nan 8.310 nan 0.000 0.497 109 P HA 0.301 nan 4.420 nan 0.000 0.254 109 P C -0.151 176.956 177.300 -0.321 0.000 1.620 109 P CA -0.178 62.681 63.100 -0.402 0.000 1.050 109 P CB -0.007 31.210 31.700 -0.804 0.000 1.539 110 R N -0.376 120.020 120.500 -0.173 0.000 2.609 110 R HA 0.209 4.547 4.340 -0.004 0.000 0.326 110 R C 1.326 177.657 176.300 0.050 0.000 1.090 110 R CA -0.158 55.921 56.100 -0.036 0.000 1.072 110 R CB 0.213 30.495 30.300 -0.030 0.000 1.330 110 R HN -0.027 nan 8.270 nan 0.000 0.572 111 V N 0.030 119.961 119.914 0.028 0.000 2.307 111 V HA -0.248 3.870 4.120 -0.004 0.000 0.245 111 V C 2.004 178.217 176.094 0.199 0.000 1.045 111 V CA 2.183 64.544 62.300 0.102 0.000 1.024 111 V CB -0.238 31.604 31.823 0.032 0.000 0.651 111 V HN 0.379 nan 8.190 nan 0.000 0.449 112 T N 0.590 115.238 114.554 0.157 0.000 2.699 112 T HA -0.232 4.115 4.350 -0.004 0.000 0.268 112 T C 1.898 176.714 174.700 0.193 0.000 1.036 112 T CA 1.951 64.150 62.100 0.166 0.000 1.147 112 T CB -0.411 68.542 68.868 0.142 0.000 0.862 112 T HN 0.281 nan 8.240 nan 0.000 0.446 113 L N 0.635 121.972 121.223 0.189 0.000 2.013 113 L HA -0.070 4.268 4.340 -0.004 0.000 0.212 113 L C 2.144 179.199 176.870 0.309 0.000 1.073 113 L CA 1.803 56.756 54.840 0.189 0.000 0.753 113 L CB -0.889 41.231 42.059 0.101 0.000 0.890 113 L HN 0.508 nan 8.230 nan 0.000 0.432 114 W N 0.145 121.513 121.300 0.115 0.000 2.358 114 W HA -0.246 4.412 4.660 -0.004 0.000 0.303 114 W C 2.119 178.710 176.519 0.120 0.000 1.208 114 W CA 1.571 58.988 57.345 0.121 0.000 1.274 114 W CB -0.201 29.322 29.460 0.106 0.000 1.138 114 W HN 0.335 nan 8.180 nan 0.000 0.515 115 N N 0.507 119.327 118.700 0.200 0.000 2.188 115 N HA -0.154 4.583 4.740 -0.004 0.000 0.184 115 N C 1.709 177.233 175.510 0.024 0.000 1.018 115 N CA 1.767 54.867 53.050 0.083 0.000 0.858 115 N CB -0.941 37.638 38.487 0.153 0.000 0.989 115 N HN 0.014 nan 8.380 nan 0.000 0.426 116 V N 0.696 120.666 119.914 0.092 0.000 2.427 116 V HA -0.121 3.997 4.120 -0.004 0.000 0.248 116 V C 2.352 178.438 176.094 -0.014 0.000 1.051 116 V CA 1.906 64.255 62.300 0.082 0.000 1.048 116 V CB -1.182 30.749 31.823 0.180 0.000 0.666 116 V HN 0.348 nan 8.190 nan 0.000 0.456 117 G N -0.261 108.520 108.800 -0.031 0.000 2.442 117 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.219 117 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.219 117 G C 1.653 176.403 174.900 -0.250 0.000 1.141 117 G CA 1.276 46.244 45.100 -0.220 0.000 0.763 117 G HN 0.403 nan 8.290 nan 0.000 0.554 118 V N 0.960 120.702 119.914 -0.287 0.000 2.427 118 V HA -0.087 4.031 4.120 -0.004 0.000 0.248 118 V C 2.762 178.843 176.094 -0.022 0.000 1.051 118 V CA 1.248 63.433 62.300 -0.191 0.000 1.048 118 V CB -0.272 31.417 31.823 -0.224 0.000 0.666 118 V HN 0.401 nan 8.190 nan 0.000 0.456 119 I N -0.362 120.185 120.570 -0.038 0.000 2.226 119 I HA -0.263 3.904 4.170 -0.004 0.000 0.245 119 I C 2.290 178.391 176.117 -0.026 0.000 1.100 119 I CA 1.799 63.090 61.300 -0.016 0.000 1.374 119 I CB -0.310 37.685 38.000 -0.008 0.000 1.057 119 I HN 0.231 nan 8.210 nan 0.000 0.413 120 I N 0.087 120.624 120.570 -0.056 0.000 2.208 120 I HA -0.343 3.825 4.170 -0.004 0.000 0.245 120 I C 2.508 178.595 176.117 -0.050 0.000 1.097 120 I CA 1.520 62.772 61.300 -0.081 0.000 1.363 120 I CB -0.364 37.543 38.000 -0.156 0.000 1.051 120 I HN 0.170 nan 8.210 nan 0.000 0.413 121 F N 1.654 121.487 119.950 -0.195 0.000 2.095 121 F HA -0.267 4.258 4.527 -0.004 0.000 0.298 121 F C 2.564 178.292 175.800 -0.119 0.000 1.104 121 F CA 2.132 60.026 58.000 -0.176 0.000 1.232 121 F CB -0.853 38.058 39.000 -0.149 0.000 0.987 121 F HN -0.043 nan 8.300 nan 0.000 0.475 122 T N 1.484 115.959 114.554 -0.131 0.000 2.720 122 T HA -0.186 4.162 4.350 -0.004 0.000 0.268 122 T C 2.203 176.807 174.700 -0.160 0.000 1.037 122 T CA 1.807 63.779 62.100 -0.212 0.000 1.144 122 T CB -0.551 68.273 68.868 -0.072 0.000 0.864 122 T HN 0.251 nan 8.240 nan 0.000 0.444 123 L N 0.601 121.763 121.223 -0.102 0.000 2.141 123 L HA -0.090 4.248 4.340 -0.004 0.000 0.209 123 L C 2.816 179.626 176.870 -0.099 0.000 1.094 123 L CA 1.074 55.870 54.840 -0.073 0.000 0.763 123 L CB -0.794 41.233 42.059 -0.055 0.000 0.908 123 L HN 0.299 nan 8.230 nan 0.000 0.437 124 T N -0.185 114.263 114.554 -0.176 0.000 2.896 124 T HA -0.046 4.301 4.350 -0.004 0.000 0.263 124 T C 1.926 176.561 174.700 -0.109 0.000 1.050 124 T CA 0.944 62.887 62.100 -0.261 0.000 1.140 124 T CB -0.054 68.494 68.868 -0.533 0.000 0.877 124 T HN 0.158 nan 8.240 nan 0.000 0.457 125 I N 1.467 121.963 120.570 -0.124 0.000 2.179 125 I HA -0.182 3.986 4.170 -0.004 0.000 0.242 125 I C 2.877 179.000 176.117 0.010 0.000 1.088 125 I CA 1.145 62.396 61.300 -0.081 0.000 1.357 125 I CB -0.383 37.392 38.000 -0.374 0.000 1.051 125 I HN 0.191 nan 8.210 nan 0.000 0.409 126 A N 0.008 122.829 122.820 0.002 0.000 1.933 126 A HA -0.188 4.130 4.320 -0.004 0.000 0.218 126 A C 2.361 180.039 177.584 0.156 0.000 1.175 126 A CA 2.302 54.408 52.037 0.116 0.000 0.628 126 A CB -1.007 18.040 19.000 0.078 0.000 0.814 126 A HN 0.379 nan 8.150 nan 0.000 0.444 127 T N 0.199 114.810 114.554 0.095 0.000 2.746 127 T HA -0.003 4.344 4.350 -0.004 0.000 0.267 127 T C 2.198 177.019 174.700 0.202 0.000 1.039 127 T CA 1.528 63.716 62.100 0.147 0.000 1.142 127 T CB -0.368 68.540 68.868 0.067 0.000 0.866 127 T HN 0.582 nan 8.240 nan 0.000 0.444 128 A N 1.032 123.953 122.820 0.169 0.000 1.969 128 A HA 0.041 4.359 4.320 -0.004 0.000 0.218 128 A C 1.983 179.657 177.584 0.150 0.000 1.169 128 A CA 1.126 53.275 52.037 0.188 0.000 0.635 128 A CB -0.828 18.333 19.000 0.268 0.000 0.810 128 A HN 0.526 nan 8.150 nan 0.000 0.445 129 F N 0.839 120.810 119.950 0.035 0.000 2.102 129 F HA -0.118 4.407 4.527 -0.004 0.000 0.298 129 F C 1.735 177.522 175.800 -0.023 0.000 1.105 129 F CA 1.618 59.623 58.000 0.008 0.000 1.239 129 F CB -0.525 38.448 39.000 -0.045 0.000 0.991 129 F HN 0.126 nan 8.300 nan 0.000 0.474 130 L N 0.435 121.267 121.223 -0.653 0.000 2.079 130 L HA -0.150 4.188 4.340 -0.004 0.000 0.210 130 L C 2.830 179.358 176.870 -0.570 0.000 1.081 130 L CA 1.448 55.866 54.840 -0.702 0.000 0.752 130 L CB -1.577 40.316 42.059 -0.278 0.000 0.896 130 L HN 0.409 nan 8.230 nan 0.000 0.433 131 G N -1.456 106.883 108.800 -0.768 0.000 2.402 131 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.216 131 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.216 131 G C 1.465 176.201 174.900 -0.274 0.000 1.162 131 G CA 0.392 44.923 45.100 -0.948 0.000 0.777 131 G HN 0.264 nan 8.290 nan 0.000 0.539 132 Y N 1.094 121.254 120.300 -0.233 0.000 2.207 132 Y HA -0.204 4.344 4.550 -0.003 0.000 0.287 132 Y C 2.842 178.695 175.900 -0.079 0.000 1.156 132 Y CA 1.024 59.068 58.100 -0.093 0.000 1.182 132 Y CB -0.420 38.029 38.460 -0.017 0.000 0.979 132 Y HN 0.266 nan 8.280 nan 0.000 0.521 133 C N -1.615 117.623 119.300 -0.104 0.000 2.432 133 C HA -0.167 4.290 4.460 -0.004 0.000 0.280 133 C C 2.902 177.927 174.990 0.059 0.000 1.353 133 C CA 0.862 59.867 59.018 -0.022 0.000 1.766 133 C CB -1.837 25.911 27.740 0.015 0.000 1.924 133 C HN 0.700 nan 8.230 nan 0.000 0.509 134 C N 0.245 119.544 119.300 -0.001 0.000 2.446 134 C HA -0.033 4.424 4.460 -0.004 0.000 0.279 134 C C 2.683 177.764 174.990 0.151 0.000 1.366 134 C CA 0.748 59.822 59.018 0.093 0.000 1.763 134 C CB -1.240 26.460 27.740 -0.067 0.000 1.929 134 C HN 0.557 nan 8.230 nan 0.000 0.509 135 V N -1.153 118.768 119.914 0.011 0.000 2.469 135 V HA -0.215 3.903 4.120 -0.004 0.000 0.251 135 V C 1.414 177.622 176.094 0.191 0.000 1.064 135 V CA 1.640 63.940 62.300 0.001 0.000 1.066 135 V CB -1.037 30.667 31.823 -0.198 0.000 0.667 135 V HN 0.609 nan 8.190 nan 0.000 0.461 136 Y N 0.948 121.272 120.300 0.040 0.000 3.108 136 Y HA -0.201 4.345 4.550 -0.005 0.000 0.208 136 Y C 1.013 177.026 175.900 0.189 0.000 1.245 136 Y CA 0.180 58.333 58.100 0.087 0.000 1.171 136 Y CB -1.215 37.303 38.460 0.095 0.000 1.331 136 Y HN 0.281 nan 8.280 nan 0.000 0.534 137 G N 0.358 109.148 108.800 -0.017 0.000 2.508 137 G HA2 0.179 4.137 3.960 -0.004 0.000 0.278 137 G HA3 0.179 4.137 3.960 -0.004 0.000 0.278 137 G C 0.625 175.367 174.900 -0.263 0.000 1.389 137 G CA 0.110 45.186 45.100 -0.040 0.000 1.050 137 G HN 0.339 nan 8.290 nan 0.000 0.522 138 Q N -1.039 118.679 119.800 -0.138 0.000 2.046 138 Q HA -0.068 4.270 4.340 -0.004 0.000 0.200 138 Q C 2.787 178.827 176.000 0.065 0.000 0.975 138 Q CA 1.061 56.841 55.803 -0.038 0.000 0.836 138 Q CB -0.264 28.514 28.738 0.066 0.000 0.896 138 Q HN 0.442 nan 8.270 nan 0.000 0.428 139 M N 0.106 119.717 119.600 0.018 0.000 2.213 139 M HA -0.093 4.384 4.480 -0.004 0.000 0.263 139 M C 2.131 178.505 176.300 0.124 0.000 1.062 139 M CA 1.055 56.413 55.300 0.098 0.000 1.105 139 M CB -1.018 31.652 32.600 0.117 0.000 1.385 139 M HN 0.010 nan 8.290 nan 0.000 0.417 140 S N -0.592 115.052 115.700 -0.092 0.000 2.348 140 S HA -0.189 4.278 4.470 -0.004 0.000 0.221 140 S C 1.874 176.464 174.600 -0.017 0.000 1.033 140 S CA 1.603 59.754 58.200 -0.082 0.000 1.010 140 S CB -0.548 62.555 63.200 -0.162 0.000 0.891 140 S HN 0.580 nan 8.310 nan 0.000 0.442 141 H N -0.433 118.463 119.070 -0.290 0.000 2.319 141 H HA -0.112 4.441 4.556 -0.003 0.000 0.299 141 H C 1.712 176.772 175.328 -0.448 0.000 1.092 141 H CA 1.979 57.772 56.048 -0.426 0.000 1.302 141 H CB -0.198 29.064 29.762 -0.834 0.000 1.373 141 H HN 0.483 nan 8.280 nan 0.000 0.497 142 W N -0.232 121.137 121.300 0.116 0.000 2.523 142 W HA 0.161 4.818 4.660 -0.005 0.000 0.278 142 W C 2.752 179.347 176.519 0.126 0.000 1.236 142 W CA 0.562 57.978 57.345 0.119 0.000 1.306 142 W CB -0.291 29.240 29.460 0.119 0.000 1.101 142 W HN 0.281 nan 8.180 nan 0.000 0.577 143 G N 0.801 109.778 108.800 0.296 0.000 2.459 143 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.217 143 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.217 143 G C 1.688 176.834 174.900 0.410 0.000 1.183 143 G CA 1.610 46.902 45.100 0.320 0.000 0.776 143 G HN 0.272 nan 8.290 nan 0.000 0.552 144 A N 0.067 123.134 122.820 0.412 0.000 1.908 144 A HA -0.039 4.278 4.320 -0.004 0.000 0.218 144 A C 2.536 180.375 177.584 0.425 0.000 1.181 144 A CA 2.556 54.927 52.037 0.556 0.000 0.627 144 A CB -0.956 18.270 19.000 0.377 0.000 0.818 144 A HN 0.326 nan 8.150 nan 0.000 0.445 145 T N -0.571 114.096 114.554 0.187 0.000 2.701 145 T HA -0.105 4.243 4.350 -0.004 0.000 0.263 145 T C 1.899 176.840 174.700 0.402 0.000 1.040 145 T CA 1.573 63.838 62.100 0.275 0.000 1.147 145 T CB -0.456 68.506 68.868 0.157 0.000 0.865 145 T HN 0.136 nan 8.240 nan 0.000 0.426 146 V N 1.137 121.250 119.914 0.330 0.000 2.343 146 V HA -0.108 4.010 4.120 -0.004 0.000 0.247 146 V C 2.336 178.528 176.094 0.164 0.000 1.051 146 V CA 1.511 63.961 62.300 0.250 0.000 1.036 146 V CB -0.490 31.462 31.823 0.215 0.000 0.654 146 V HN 0.462 nan 8.190 nan 0.000 0.451 147 I N 0.442 121.081 120.570 0.115 0.000 2.500 147 I HA -0.158 4.010 4.170 -0.004 0.000 0.252 147 I C 2.603 178.782 176.117 0.103 0.000 1.142 147 I CA 1.647 62.910 61.300 -0.062 0.000 1.451 147 I CB -0.485 37.219 38.000 -0.493 0.000 1.093 147 I HN 0.482 nan 8.210 nan 0.000 0.430 148 T N -2.013 112.735 114.554 0.324 0.000 2.915 148 T HA -0.086 4.261 4.350 -0.004 0.000 0.269 148 T C 1.688 176.589 174.700 0.334 0.000 1.071 148 T CA 0.942 63.311 62.100 0.448 0.000 1.132 148 T CB -0.364 68.850 68.868 0.576 0.000 0.878 148 T HN 0.186 nan 8.240 nan 0.000 0.479 149 N N 0.849 119.705 118.700 0.260 0.000 2.459 149 N HA 0.081 4.818 4.740 -0.004 0.000 0.181 149 N C 1.514 177.069 175.510 0.074 0.000 1.046 149 N CA 0.205 53.352 53.050 0.162 0.000 0.904 149 N CB -0.435 38.184 38.487 0.221 0.000 0.964 149 N HN 0.217 nan 8.380 nan 0.000 0.444 150 L N 0.064 121.282 121.223 -0.008 0.000 2.137 150 L HA -0.156 4.181 4.340 -0.004 0.000 0.213 150 L C 1.429 178.130 176.870 -0.283 0.000 1.085 150 L CA 1.480 56.204 54.840 -0.194 0.000 0.760 150 L CB -0.904 40.932 42.059 -0.371 0.000 0.893 150 L HN 0.125 nan 8.230 nan 0.000 0.434 151 F N -1.386 118.591 119.950 0.044 0.000 2.710 151 F HA -0.031 4.493 4.527 -0.004 0.000 0.298 151 F C 2.538 178.328 175.800 -0.016 0.000 1.137 151 F CA 0.725 58.733 58.000 0.013 0.000 1.444 151 F CB -0.813 38.191 39.000 0.007 0.000 1.111 151 F HN 0.165 nan 8.300 nan 0.000 0.580 152 S N 0.144 115.899 115.700 0.091 0.000 2.474 152 S HA -0.064 4.404 4.470 -0.004 0.000 0.235 152 S C 2.083 176.694 174.600 0.020 0.000 0.997 152 S CA 0.655 58.882 58.200 0.045 0.000 0.949 152 S CB -0.559 62.661 63.200 0.032 0.000 0.766 152 S HN 0.219 nan 8.310 nan 0.000 0.517 153 A N 1.036 123.857 122.820 0.001 0.000 2.168 153 A HA 0.345 4.663 4.320 -0.004 0.000 0.215 153 A C 0.910 178.467 177.584 -0.045 0.000 1.152 153 A CA 0.050 52.075 52.037 -0.019 0.000 0.716 153 A CB -0.654 18.332 19.000 -0.024 0.000 0.794 153 A HN 0.626 nan 8.150 nan 0.000 0.465 154 I N 2.457 123.003 120.570 -0.038 0.000 2.533 154 I HA 0.097 4.264 4.170 -0.004 0.000 0.284 154 I C -1.840 174.173 176.117 -0.173 0.000 1.109 154 I CA -1.852 59.394 61.300 -0.089 0.000 1.412 154 I CB 0.745 38.725 38.000 -0.034 0.000 1.396 154 I HN 0.123 nan 8.210 nan 0.000 0.543 155 P HA -0.122 nan 4.420 nan 0.000 0.263 155 P C 0.488 177.332 177.300 -0.759 0.000 1.168 155 P CA 0.429 63.137 63.100 -0.654 0.000 0.759 155 P CB 0.167 31.251 31.700 -1.027 0.000 0.782 156 F N 0.351 120.307 119.950 0.009 0.000 2.585 156 F HA -0.372 4.152 4.527 -0.004 0.000 0.662 156 F C 1.389 177.192 175.800 0.005 0.000 0.487 156 F CA 1.678 59.682 58.000 0.006 0.000 0.675 156 F CB -2.115 36.885 39.000 0.000 0.000 1.591 156 F HN 0.232 nan 8.300 nan 0.000 0.259 157 V N -0.487 119.527 119.914 0.166 0.000 3.189 157 V HA 0.665 4.782 4.120 -0.004 0.000 0.366 157 V C 1.458 177.572 176.094 0.034 0.000 1.313 157 V CA 0.504 62.859 62.300 0.091 0.000 1.302 157 V CB -0.279 31.589 31.823 0.074 0.000 1.260 157 V HN 0.688 nan 8.190 nan 0.000 0.484 158 G N 1.018 109.835 108.800 0.028 0.000 2.411 158 G HA2 -0.101 3.856 3.960 -0.004 0.000 0.213 158 G HA3 -0.101 3.856 3.960 -0.004 0.000 0.213 158 G C 1.281 176.200 174.900 0.031 0.000 1.166 158 G CA 0.513 45.632 45.100 0.032 0.000 0.802 158 G HN 0.523 nan 8.290 nan 0.000 0.533 159 N N 1.068 119.783 118.700 0.025 0.000 2.396 159 N HA -0.069 4.668 4.740 -0.004 0.000 0.180 159 N C 1.260 176.773 175.510 0.004 0.000 1.028 159 N CA 0.865 53.916 53.050 0.003 0.000 0.893 159 N CB 0.008 38.515 38.487 0.033 0.000 0.967 159 N HN 0.158 nan 8.380 nan 0.000 0.440 160 D N 1.194 121.612 120.400 0.030 0.000 2.123 160 D HA -0.020 4.618 4.640 -0.004 0.000 0.200 160 D C 2.051 178.385 176.300 0.057 0.000 0.976 160 D CA 0.305 54.331 54.000 0.042 0.000 0.831 160 D CB -0.009 40.807 40.800 0.026 0.000 0.974 160 D HN 0.110 nan 8.370 nan 0.000 0.469 161 I N 0.682 121.273 120.570 0.035 0.000 2.208 161 I HA -0.179 3.988 4.170 -0.004 0.000 0.245 161 I C 2.482 178.660 176.117 0.103 0.000 1.097 161 I CA 0.689 62.039 61.300 0.083 0.000 1.363 161 I CB -1.212 36.812 38.000 0.039 0.000 1.051 161 I HN -0.069 nan 8.210 nan 0.000 0.413 162 V N 1.282 121.157 119.914 -0.065 0.000 2.358 162 V HA -0.213 3.905 4.120 -0.004 0.000 0.246 162 V C 2.699 178.492 176.094 -0.502 0.000 1.047 162 V CA 1.976 64.055 62.300 -0.368 0.000 1.035 162 V CB -0.785 30.721 31.823 -0.530 0.000 0.658 162 V HN 0.583 nan 8.190 nan 0.000 0.452 163 S N -1.246 114.340 115.700 -0.189 0.000 2.428 163 S HA -0.235 4.233 4.470 -0.004 0.000 0.230 163 S C 1.681 176.363 174.600 0.136 0.000 1.014 163 S CA 1.097 59.315 58.200 0.030 0.000 0.957 163 S CB -0.707 62.573 63.200 0.134 0.000 0.784 163 S HN 0.732 nan 8.310 nan 0.000 0.499 164 W N 2.191 123.462 121.300 -0.048 0.000 2.381 164 W HA 0.152 4.810 4.660 -0.003 0.000 0.301 164 W C 1.747 178.262 176.519 -0.007 0.000 1.205 164 W CA 0.925 58.255 57.345 -0.024 0.000 1.285 164 W CB -0.422 29.012 29.460 -0.043 0.000 1.133 164 W HN 0.248 nan 8.180 nan 0.000 0.521 165 L N -0.604 120.560 121.223 -0.098 0.000 2.083 165 L HA -0.222 4.116 4.340 -0.004 0.000 0.209 165 L C 2.348 179.197 176.870 -0.035 0.000 1.083 165 L CA 1.206 55.919 54.840 -0.211 0.000 0.752 165 L CB -0.962 41.080 42.059 -0.030 0.000 0.899 165 L HN 0.083 nan 8.230 nan 0.000 0.433 166 W N -0.059 121.184 121.300 -0.095 0.000 2.436 166 W HA 0.085 4.743 4.660 -0.002 0.000 0.284 166 W C 1.834 178.232 176.519 -0.201 0.000 1.225 166 W CA 1.088 58.349 57.345 -0.140 0.000 1.271 166 W CB -1.115 28.325 29.460 -0.035 0.000 1.114 166 W HN 0.354 nan 8.180 nan 0.000 0.559 167 G N 0.099 108.927 108.800 0.046 0.000 2.147 167 G HA2 0.046 4.003 3.960 -0.004 0.000 0.244 167 G HA3 0.046 4.003 3.960 -0.004 0.000 0.244 167 G C 0.485 175.362 174.900 -0.039 0.000 1.005 167 G CA 0.490 45.560 45.100 -0.051 0.000 0.713 167 G HN 0.770 nan 8.290 nan 0.000 0.515 168 G N -2.101 106.733 108.800 0.056 0.000 2.441 168 G HA2 0.508 4.465 3.960 -0.004 0.000 0.225 168 G HA3 0.508 4.465 3.960 -0.004 0.000 0.225 168 G C 0.201 175.209 174.900 0.180 0.000 1.200 168 G CA 0.336 45.391 45.100 -0.075 0.000 0.947 168 G HN 0.358 nan 8.290 nan 0.000 0.484 169 F N 1.840 121.889 119.950 0.166 0.000 2.416 169 F HA 0.376 4.899 4.527 -0.005 0.000 0.296 169 F C 1.752 177.666 175.800 0.190 0.000 1.099 169 F CA 0.623 58.745 58.000 0.202 0.000 1.427 169 F CB -0.008 39.054 39.000 0.103 0.000 1.079 169 F HN 0.645 nan 8.300 nan 0.000 0.536 170 S N -2.254 113.484 115.700 0.062 0.000 2.672 170 S HA 0.490 4.957 4.470 -0.004 0.000 0.271 170 S C -1.006 173.055 174.600 -0.898 0.000 1.171 170 S CA -1.110 56.685 58.200 -0.674 0.000 0.817 170 S CB 1.250 64.260 63.200 -0.317 0.000 1.150 170 S HN -0.278 nan 8.310 nan 0.000 0.478 171 V N 2.980 122.181 119.914 -1.189 0.000 2.425 171 V HA 0.466 4.583 4.120 -0.004 0.000 0.276 171 V C 0.575 176.445 176.094 -0.373 0.000 1.017 171 V CA 1.018 62.829 62.300 -0.815 0.000 1.062 171 V CB -0.690 30.645 31.823 -0.813 0.000 0.997 171 V HN 1.064 nan 8.190 nan 0.000 0.476 172 S N 3.662 119.163 115.700 -0.331 0.000 2.998 172 S HA 0.319 4.787 4.470 -0.004 0.000 0.321 172 S C 1.057 175.488 174.600 -0.282 0.000 1.171 172 S CA -0.265 57.788 58.200 -0.245 0.000 0.882 172 S CB 1.081 64.172 63.200 -0.181 0.000 1.301 172 S HN 0.497 nan 8.310 nan 0.000 0.629 173 N N 1.845 120.402 118.700 -0.239 0.000 2.036 173 N HA -0.072 4.666 4.740 -0.004 0.000 0.195 173 N C -1.086 174.302 175.510 -0.203 0.000 1.037 173 N CA 1.915 54.829 53.050 -0.227 0.000 0.855 173 N CB -1.283 37.100 38.487 -0.174 0.000 1.033 173 N HN 0.337 nan 8.380 nan 0.000 0.423 174 P HA -0.110 nan 4.420 nan 0.000 0.216 174 P C 1.154 178.310 177.300 -0.239 0.000 1.154 174 P CA 1.724 64.720 63.100 -0.173 0.000 0.865 174 P CB -0.255 31.353 31.700 -0.154 0.000 0.789 175 T N -0.691 113.670 114.554 -0.322 0.000 2.737 175 T HA -0.068 4.280 4.350 -0.004 0.000 0.265 175 T C 1.696 176.003 174.700 -0.655 0.000 1.038 175 T CA 0.986 62.751 62.100 -0.559 0.000 1.144 175 T CB -0.615 67.921 68.868 -0.554 0.000 0.866 175 T HN -0.011 nan 8.240 nan 0.000 0.434 176 I N 1.562 121.906 120.570 -0.377 0.000 2.500 176 I HA -0.035 4.133 4.170 -0.004 0.000 0.252 176 I C 2.509 178.626 176.117 0.000 0.000 1.142 176 I CA 1.079 62.271 61.300 -0.179 0.000 1.451 176 I CB -1.186 36.696 38.000 -0.198 0.000 1.093 176 I HN 0.356 nan 8.210 nan 0.000 0.430 177 Q N 0.748 120.522 119.800 -0.042 0.000 2.119 177 Q HA -0.175 4.163 4.340 -0.004 0.000 0.201 177 Q C 2.278 178.350 176.000 0.119 0.000 0.972 177 Q CA 1.295 57.141 55.803 0.072 0.000 0.847 177 Q CB -0.199 28.540 28.738 0.001 0.000 0.903 177 Q HN 0.603 nan 8.270 nan 0.000 0.433 178 R N -0.520 119.987 120.500 0.011 0.000 2.153 178 R HA -0.036 4.302 4.340 -0.004 0.000 0.218 178 R C 1.636 178.080 176.300 0.240 0.000 1.072 178 R CA 0.866 57.000 56.100 0.056 0.000 0.990 178 R CB -0.224 30.049 30.300 -0.045 0.000 0.889 178 R HN 0.063 nan 8.270 nan 0.000 0.452 179 F N 0.847 120.822 119.950 0.042 0.000 2.259 179 F HA 0.024 4.549 4.527 -0.003 0.000 0.298 179 F C 2.014 177.878 175.800 0.107 0.000 1.088 179 F CA -0.166 57.853 58.000 0.033 0.000 1.358 179 F CB -0.897 38.087 39.000 -0.027 0.000 1.040 179 F HN -0.035 nan 8.300 nan 0.000 0.505 180 F N 0.688 120.789 119.950 0.251 0.000 2.113 180 F HA -0.085 4.441 4.527 -0.003 0.000 0.297 180 F C 2.354 178.304 175.800 0.250 0.000 1.103 180 F CA 1.540 59.681 58.000 0.236 0.000 1.248 180 F CB -0.295 38.872 39.000 0.277 0.000 0.999 180 F HN -0.098 nan 8.300 nan 0.000 0.475 181 A N 0.477 123.249 122.820 -0.080 0.000 1.908 181 A HA -0.182 4.136 4.320 -0.004 0.000 0.218 181 A C 1.985 179.513 177.584 -0.093 0.000 1.181 181 A CA 1.727 53.660 52.037 -0.174 0.000 0.627 181 A CB -1.074 17.906 19.000 -0.033 0.000 0.818 181 A HN 0.424 nan 8.150 nan 0.000 0.445 182 L N -1.000 120.237 121.223 0.022 0.000 2.141 182 L HA -0.092 4.246 4.340 -0.004 0.000 0.209 182 L C 2.268 179.173 176.870 0.059 0.000 1.094 182 L CA 2.158 57.027 54.840 0.048 0.000 0.763 182 L CB -1.423 40.685 42.059 0.082 0.000 0.908 182 L HN 0.674 nan 8.230 nan 0.000 0.437 183 H N -2.034 117.008 119.070 -0.047 0.000 2.423 183 H HA -0.212 4.342 4.556 -0.004 0.000 0.297 183 H C 2.148 177.456 175.328 -0.033 0.000 1.075 183 H CA 1.650 57.671 56.048 -0.045 0.000 1.342 183 H CB -0.149 29.601 29.762 -0.019 0.000 1.395 183 H HN 0.405 nan 8.280 nan 0.000 0.530 184 Y N -0.515 119.592 120.300 -0.321 0.000 2.263 184 Y HA -0.136 4.411 4.550 -0.005 0.000 0.292 184 Y C 2.481 178.344 175.900 -0.063 0.000 1.130 184 Y CA 0.766 58.694 58.100 -0.286 0.000 1.179 184 Y CB 0.102 38.333 38.460 -0.382 0.000 0.998 184 Y HN 0.247 nan 8.280 nan 0.000 0.532 185 L N -0.730 120.600 121.223 0.178 0.000 2.023 185 L HA -0.179 4.158 4.340 -0.004 0.000 0.205 185 L C 2.096 179.072 176.870 0.178 0.000 1.073 185 L CA 1.296 56.255 54.840 0.199 0.000 0.745 185 L CB -0.527 41.576 42.059 0.072 0.000 0.900 185 L HN 0.129 nan 8.230 nan 0.000 0.435 186 V N 0.623 120.571 119.914 0.057 0.000 2.490 186 V HA -0.145 3.973 4.120 -0.004 0.000 0.250 186 V C -0.358 175.718 176.094 -0.031 0.000 1.061 186 V CA 1.523 63.837 62.300 0.024 0.000 1.064 186 V CB -1.822 30.010 31.823 0.016 0.000 0.670 186 V HN 0.358 nan 8.190 nan 0.000 0.461 187 P HA -0.168 nan 4.420 nan 0.000 0.216 187 P C 1.526 178.644 177.300 -0.303 0.000 1.150 187 P CA 1.680 64.619 63.100 -0.269 0.000 0.843 187 P CB -0.141 31.286 31.700 -0.455 0.000 0.787 188 F N -1.581 118.360 119.950 -0.015 0.000 2.259 188 F HA -0.037 4.488 4.527 -0.004 0.000 0.298 188 F C 2.229 178.020 175.800 -0.014 0.000 1.088 188 F CA 0.746 58.740 58.000 -0.010 0.000 1.358 188 F CB -0.836 38.162 39.000 -0.002 0.000 1.040 188 F HN -0.174 nan 8.300 nan 0.000 0.505 189 I N -0.109 120.546 120.570 0.141 0.000 2.315 189 I HA -0.270 3.897 4.170 -0.004 0.000 0.248 189 I C 2.186 178.321 176.117 0.030 0.000 1.117 189 I CA 1.234 62.578 61.300 0.073 0.000 1.404 189 I CB -0.413 37.619 38.000 0.052 0.000 1.071 189 I HN 0.110 nan 8.210 nan 0.000 0.419 190 I N 0.871 121.440 120.570 -0.001 0.000 2.226 190 I HA -0.275 3.893 4.170 -0.004 0.000 0.245 190 I C 2.817 178.924 176.117 -0.016 0.000 1.100 190 I CA 1.262 62.547 61.300 -0.025 0.000 1.374 190 I CB -0.447 37.524 38.000 -0.048 0.000 1.057 190 I HN 0.177 nan 8.210 nan 0.000 0.413 191 A N 0.774 123.586 122.820 -0.014 0.000 1.908 191 A HA -0.186 4.132 4.320 -0.004 0.000 0.218 191 A C 2.518 180.114 177.584 0.020 0.000 1.181 191 A CA 1.940 53.976 52.037 -0.001 0.000 0.627 191 A CB -0.769 18.239 19.000 0.014 0.000 0.818 191 A HN 0.441 nan 8.150 nan 0.000 0.445 192 A N -1.209 121.634 122.820 0.039 0.000 1.968 192 A HA -0.020 4.298 4.320 -0.004 0.000 0.217 192 A C 2.122 179.725 177.584 0.031 0.000 1.169 192 A CA 1.669 53.727 52.037 0.035 0.000 0.638 192 A CB -0.392 18.633 19.000 0.042 0.000 0.812 192 A HN 0.431 nan 8.150 nan 0.000 0.446 193 M N -0.577 119.038 119.600 0.024 0.000 2.254 193 M HA -0.037 4.440 4.480 -0.004 0.000 0.265 193 M C 2.106 178.429 176.300 0.038 0.000 1.066 193 M CA 0.983 56.298 55.300 0.025 0.000 1.123 193 M CB -1.006 31.594 32.600 -0.000 0.000 1.388 193 M HN 0.235 nan 8.290 nan 0.000 0.425 194 V N 0.635 120.562 119.914 0.021 0.000 2.407 194 V HA -0.244 3.874 4.120 -0.004 0.000 0.248 194 V C 2.364 178.518 176.094 0.100 0.000 1.055 194 V CA 1.426 63.756 62.300 0.050 0.000 1.049 194 V CB -0.503 31.329 31.823 0.015 0.000 0.662 194 V HN 0.350 nan 8.190 nan 0.000 0.455 195 I N -0.769 119.830 120.570 0.049 0.000 2.226 195 I HA -0.297 3.871 4.170 -0.004 0.000 0.245 195 I C 2.469 178.628 176.117 0.070 0.000 1.100 195 I CA 1.767 63.081 61.300 0.023 0.000 1.374 195 I CB -0.234 37.758 38.000 -0.014 0.000 1.057 195 I HN 0.272 nan 8.210 nan 0.000 0.413 196 M N -0.744 118.909 119.600 0.087 0.000 2.159 196 M HA -0.246 4.232 4.480 -0.004 0.000 0.263 196 M C 2.369 178.775 176.300 0.176 0.000 1.063 196 M CA 1.654 57.020 55.300 0.111 0.000 1.110 196 M CB -0.698 31.957 32.600 0.092 0.000 1.374 196 M HN 0.265 nan 8.290 nan 0.000 0.411 197 H N 0.730 119.845 119.070 0.074 0.000 2.321 197 H HA -0.062 4.492 4.556 -0.004 0.000 0.300 197 H C 1.737 177.145 175.328 0.132 0.000 1.087 197 H CA 1.761 57.867 56.048 0.098 0.000 1.319 197 H CB -0.049 29.765 29.762 0.086 0.000 1.379 197 H HN 0.259 nan 8.280 nan 0.000 0.501 198 L N -0.718 120.634 121.223 0.215 0.000 2.217 198 L HA -0.105 4.233 4.340 -0.004 0.000 0.211 198 L C 2.481 179.527 176.870 0.293 0.000 1.107 198 L CA 0.784 55.751 54.840 0.211 0.000 0.783 198 L CB -0.256 41.925 42.059 0.203 0.000 0.919 198 L HN 0.361 nan 8.230 nan 0.000 0.442 199 M N -0.678 119.057 119.600 0.225 0.000 2.132 199 M HA -0.168 4.310 4.480 -0.004 0.000 0.263 199 M C 2.433 178.834 176.300 0.168 0.000 1.065 199 M CA 1.910 57.344 55.300 0.223 0.000 1.122 199 M CB -0.309 32.378 32.600 0.145 0.000 1.365 199 M HN 0.313 nan 8.290 nan 0.000 0.411 200 A N -0.204 122.693 122.820 0.127 0.000 2.014 200 A HA -0.092 4.225 4.320 -0.004 0.000 0.218 200 A C 2.001 179.637 177.584 0.087 0.000 1.163 200 A CA 0.929 53.029 52.037 0.105 0.000 0.652 200 A CB -0.638 18.430 19.000 0.113 0.000 0.808 200 A HN 0.447 nan 8.150 nan 0.000 0.449 201 L N -0.869 120.388 121.223 0.057 0.000 2.083 201 L HA -0.136 4.202 4.340 -0.004 0.000 0.209 201 L C 2.235 179.135 176.870 0.051 0.000 1.083 201 L CA 2.724 57.588 54.840 0.039 0.000 0.752 201 L CB -0.785 41.282 42.059 0.013 0.000 0.899 201 L HN 0.591 nan 8.230 nan 0.000 0.433 202 H N -0.168 118.869 119.070 -0.054 0.000 2.389 202 H HA -0.097 4.456 4.556 -0.004 0.000 0.299 202 H C 2.118 177.336 175.328 -0.184 0.000 1.081 202 H CA 2.141 58.077 56.048 -0.187 0.000 1.345 202 H CB -0.202 29.350 29.762 -0.351 0.000 1.393 202 H HN 0.566 nan 8.280 nan 0.000 0.520 203 I N -2.561 117.938 120.570 -0.119 0.000 2.676 203 I HA -0.084 4.083 4.170 -0.004 0.000 0.259 203 I C 1.036 176.846 176.117 -0.511 0.000 1.194 203 I CA 1.598 62.709 61.300 -0.315 0.000 1.473 203 I CB -0.253 37.550 38.000 -0.328 0.000 1.096 203 I HN 0.205 nan 8.210 nan 0.000 0.443 204 H N 0.909 119.935 119.070 -0.073 0.000 3.046 204 H HA 0.460 5.014 4.556 -0.004 0.000 0.262 204 H C 1.087 176.360 175.328 -0.090 0.000 1.044 204 H CA 0.334 56.338 56.048 -0.073 0.000 1.209 204 H CB 0.792 30.529 29.762 -0.042 0.000 1.507 204 H HN 0.519 nan 8.280 nan 0.000 0.507 205 G N 0.664 109.442 108.800 -0.037 0.000 2.888 205 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.441 205 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.441 205 G C -0.140 174.765 174.900 0.009 0.000 1.461 205 G CA -0.192 44.873 45.100 -0.057 0.000 0.897 205 G HN 0.289 nan 8.290 nan 0.000 0.547 206 S N -0.403 115.299 115.700 0.004 0.000 2.579 206 S HA 0.508 4.976 4.470 -0.004 0.000 0.275 206 S C 1.078 175.715 174.600 0.061 0.000 1.345 206 S CA 0.499 58.754 58.200 0.092 0.000 1.031 206 S CB 1.489 64.745 63.200 0.092 0.000 0.892 206 S HN 1.199 nan 8.310 nan 0.000 0.529 207 S N 1.374 117.184 115.700 0.183 0.000 2.632 207 S HA 0.438 4.906 4.470 -0.004 0.000 0.267 207 S C -0.144 174.448 174.600 -0.013 0.000 1.193 207 S CA -0.790 57.481 58.200 0.118 0.000 1.003 207 S CB 0.075 63.383 63.200 0.180 0.000 1.073 207 S HN 0.914 nan 8.310 nan 0.000 0.553 208 N N -0.320 118.318 118.700 -0.103 0.000 2.732 208 N HA 0.332 5.069 4.740 -0.004 0.000 0.259 208 N C -2.836 172.498 175.510 -0.294 0.000 1.402 208 N CA -1.393 51.350 53.050 -0.511 0.000 0.829 208 N CB 1.270 39.510 38.487 -0.412 0.000 1.495 208 N HN 0.229 nan 8.380 nan 0.000 0.511 209 P HA 0.019 nan 4.420 nan 0.000 0.226 209 P C 1.307 178.645 177.300 0.062 0.000 1.153 209 P CA 0.767 63.794 63.100 -0.122 0.000 0.777 209 P CB 0.354 32.013 31.700 -0.068 0.000 0.794 210 L N -1.724 119.500 121.223 0.001 0.000 2.418 210 L HA 0.159 4.497 4.340 -0.004 0.000 0.218 210 L C 1.875 178.813 176.870 0.112 0.000 1.125 210 L CA 0.971 55.858 54.840 0.079 0.000 0.835 210 L CB -1.145 40.988 42.059 0.123 0.000 0.953 210 L HN 0.107 nan 8.230 nan 0.000 0.454 211 G N 1.315 110.153 108.800 0.064 0.000 2.184 211 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.264 211 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.264 211 G C 0.392 175.300 174.900 0.012 0.000 0.975 211 G CA 0.670 45.798 45.100 0.047 0.000 0.642 211 G HN 0.474 nan 8.290 nan 0.000 0.536 212 I N -2.743 117.835 120.570 0.014 0.000 3.474 212 I HA 0.813 4.980 4.170 -0.004 0.000 0.294 212 I C 0.846 176.943 176.117 -0.033 0.000 1.185 212 I CA -0.594 60.700 61.300 -0.010 0.000 1.003 212 I CB 1.018 39.020 38.000 0.002 0.000 1.327 212 I HN 0.035 nan 8.210 nan 0.000 0.541 213 T N 0.714 115.245 114.554 -0.038 0.000 2.946 213 T HA 0.188 4.536 4.350 -0.004 0.000 0.311 213 T C 0.920 175.587 174.700 -0.054 0.000 1.063 213 T CA 0.610 62.684 62.100 -0.045 0.000 1.139 213 T CB 0.401 69.245 68.868 -0.040 0.000 0.994 213 T HN 0.892 nan 8.240 nan 0.000 0.547 214 G N 3.324 112.085 108.800 -0.065 0.000 3.126 214 G HA2 0.024 3.981 3.960 -0.004 0.000 0.224 214 G HA3 0.024 3.981 3.960 -0.004 0.000 0.224 214 G C 1.321 176.180 174.900 -0.068 0.000 1.142 214 G CA -0.288 44.763 45.100 -0.081 0.000 0.759 214 G HN 0.659 nan 8.290 nan 0.000 0.550 215 N N 0.467 119.134 118.700 -0.054 0.000 2.459 215 N HA -0.002 4.736 4.740 -0.004 0.000 0.181 215 N C 1.604 177.088 175.510 -0.043 0.000 1.046 215 N CA 0.477 53.498 53.050 -0.048 0.000 0.904 215 N CB 0.125 38.589 38.487 -0.039 0.000 0.964 215 N HN 0.241 nan 8.380 nan 0.000 0.444 216 L N -0.637 120.560 121.223 -0.043 0.000 2.529 216 L HA 0.169 4.506 4.340 -0.004 0.000 0.223 216 L C -0.101 176.745 176.870 -0.039 0.000 1.113 216 L CA 0.586 55.404 54.840 -0.037 0.000 0.861 216 L CB 0.219 42.257 42.059 -0.034 0.000 1.012 216 L HN -0.113 nan 8.230 nan 0.000 0.461 217 D N -0.043 120.328 120.400 -0.048 0.000 2.445 217 D HA 0.184 4.822 4.640 -0.004 0.000 0.236 217 D C -0.691 175.574 176.300 -0.058 0.000 1.315 217 D CA -0.353 53.616 54.000 -0.051 0.000 0.924 217 D CB 0.723 41.490 40.800 -0.055 0.000 1.447 217 D HN -0.200 nan 8.370 nan 0.000 0.532 218 R N 2.113 122.585 120.500 -0.048 0.000 2.540 218 R HA 0.701 5.038 4.340 -0.004 0.000 0.287 218 R C 0.224 176.510 176.300 -0.023 0.000 0.980 218 R CA -0.785 55.291 56.100 -0.040 0.000 0.966 218 R CB 1.066 31.344 30.300 -0.037 0.000 1.106 218 R HN 0.503 nan 8.270 nan 0.000 0.480 219 I N -1.501 119.075 120.570 0.009 0.000 2.689 219 I HA 0.550 4.717 4.170 -0.004 0.000 0.299 219 I C -2.598 173.630 176.117 0.186 0.000 1.059 219 I CA -3.205 58.116 61.300 0.035 0.000 1.055 219 I CB 2.349 40.245 38.000 -0.174 0.000 1.243 219 I HN 0.158 nan 8.210 nan 0.000 0.425 220 P HA 0.105 nan 4.420 nan 0.000 0.267 220 P C 0.466 177.994 177.300 0.379 0.000 1.200 220 P CA -0.310 62.941 63.100 0.252 0.000 0.772 220 P CB 0.627 32.460 31.700 0.220 0.000 0.855 221 M N 2.668 122.454 119.600 0.311 0.000 2.080 221 M HA -0.166 4.312 4.480 -0.004 0.000 0.260 221 M C 0.857 177.371 176.300 0.357 0.000 1.068 221 M CA 1.795 57.320 55.300 0.375 0.000 1.109 221 M CB -1.083 31.657 32.600 0.234 0.000 1.342 221 M HN 0.376 nan 8.290 nan 0.000 0.405 222 H N -0.412 118.774 119.070 0.193 0.000 2.732 222 H HA 0.304 4.857 4.556 -0.004 0.000 0.351 222 H C 1.055 176.417 175.328 0.056 0.000 1.090 222 H CA 0.562 56.687 56.048 0.128 0.000 1.431 222 H CB 0.808 30.627 29.762 0.094 0.000 1.447 222 H HN 0.552 nan 8.280 nan 0.000 0.582 223 S N 2.140 117.351 115.700 -0.815 0.000 4.083 223 S HA -0.354 4.114 4.470 -0.004 0.000 0.252 223 S C 1.679 176.169 174.600 -0.183 0.000 1.833 223 S CA 1.375 59.265 58.200 -0.517 0.000 4.169 223 S CB -1.864 60.796 63.200 -0.899 0.000 0.304 223 S HN 0.778 nan 8.310 nan 0.000 0.456 224 Y N 0.428 120.654 120.300 -0.124 0.000 2.097 224 Y HA -0.064 4.483 4.550 -0.004 0.000 0.282 224 Y C 2.216 177.877 175.900 -0.399 0.000 1.152 224 Y CA 2.320 60.226 58.100 -0.324 0.000 1.136 224 Y CB -0.362 37.764 38.460 -0.557 0.000 0.975 224 Y HN 0.457 nan 8.280 nan 0.000 0.498 225 F N -1.902 118.163 119.950 0.192 0.000 2.698 225 F HA -0.008 4.516 4.527 -0.004 0.000 0.295 225 F C 1.957 177.806 175.800 0.080 0.000 1.124 225 F CA -0.053 58.014 58.000 0.111 0.000 1.426 225 F CB -0.111 38.939 39.000 0.084 0.000 1.120 225 F HN 0.004 nan 8.300 nan 0.000 0.583 226 I N -0.447 120.250 120.570 0.211 0.000 2.179 226 I HA -0.281 3.886 4.170 -0.004 0.000 0.242 226 I C 2.117 178.163 176.117 -0.117 0.000 1.088 226 I CA 1.970 63.300 61.300 0.050 0.000 1.357 226 I CB -1.025 37.019 38.000 0.073 0.000 1.051 226 I HN 0.106 nan 8.210 nan 0.000 0.409 227 F N 0.938 120.906 119.950 0.029 0.000 2.293 227 F HA -0.060 4.464 4.527 -0.004 0.000 0.297 227 F C 2.536 178.364 175.800 0.047 0.000 1.089 227 F CA 0.935 58.950 58.000 0.026 0.000 1.377 227 F CB -0.374 38.618 39.000 -0.013 0.000 1.051 227 F HN -0.025 nan 8.300 nan 0.000 0.511 228 K N 0.401 120.901 120.400 0.167 0.000 2.097 228 K HA -0.180 4.138 4.320 -0.004 0.000 0.206 228 K C 1.567 178.270 176.600 0.172 0.000 1.049 228 K CA 1.691 58.057 56.287 0.132 0.000 0.933 228 K CB -0.126 32.365 32.500 -0.014 0.000 0.717 228 K HN 0.070 nan 8.250 nan 0.000 0.442 229 D N 0.728 121.202 120.400 0.125 0.000 2.144 229 D HA -0.156 4.481 4.640 -0.004 0.000 0.199 229 D C 1.807 178.102 176.300 -0.007 0.000 0.984 229 D CA 0.725 54.770 54.000 0.075 0.000 0.834 229 D CB -0.043 40.775 40.800 0.030 0.000 0.955 229 D HN 0.107 nan 8.370 nan 0.000 0.465 230 L N 0.531 121.715 121.223 -0.066 0.000 2.083 230 L HA -0.138 4.200 4.340 -0.004 0.000 0.209 230 L C 2.421 179.236 176.870 -0.092 0.000 1.083 230 L CA 0.963 55.679 54.840 -0.207 0.000 0.752 230 L CB -0.612 41.348 42.059 -0.164 0.000 0.899 230 L HN -0.086 nan 8.230 nan 0.000 0.433 231 V N -0.593 119.402 119.914 0.135 0.000 2.287 231 V HA -0.333 3.785 4.120 -0.004 0.000 0.248 231 V C 2.474 178.670 176.094 0.169 0.000 1.053 231 V CA 2.297 64.732 62.300 0.225 0.000 1.027 231 V CB -1.193 30.804 31.823 0.290 0.000 0.646 231 V HN 0.692 nan 8.190 nan 0.000 0.447 232 T N -2.840 111.800 114.554 0.143 0.000 3.043 232 T HA -0.025 4.322 4.350 -0.004 0.000 0.263 232 T C 1.801 176.563 174.700 0.103 0.000 1.094 232 T CA 1.004 63.176 62.100 0.119 0.000 1.127 232 T CB -0.055 68.895 68.868 0.136 0.000 0.905 232 T HN 0.215 nan 8.240 nan 0.000 0.490 233 V N 0.773 120.671 119.914 -0.027 0.000 2.332 233 V HA -0.095 4.022 4.120 -0.004 0.000 0.248 233 V C 2.249 178.355 176.094 0.020 0.000 1.055 233 V CA 1.732 63.966 62.300 -0.109 0.000 1.038 233 V CB -0.825 30.789 31.823 -0.348 0.000 0.651 233 V HN 0.493 nan 8.190 nan 0.000 0.450 234 F N -1.106 118.925 119.950 0.135 0.000 2.163 234 F HA -0.111 4.414 4.527 -0.004 0.000 0.297 234 F C 2.185 178.066 175.800 0.135 0.000 1.094 234 F CA 1.006 59.080 58.000 0.122 0.000 1.290 234 F CB -0.279 38.774 39.000 0.088 0.000 1.017 234 F HN 0.143 nan 8.300 nan 0.000 0.483 235 L N -0.020 121.390 121.223 0.311 0.000 2.046 235 L HA -0.231 4.107 4.340 -0.004 0.000 0.208 235 L C 2.116 179.139 176.870 0.254 0.000 1.077 235 L CA 1.647 56.623 54.840 0.226 0.000 0.747 235 L CB -1.092 41.060 42.059 0.155 0.000 0.896 235 L HN 0.187 nan 8.230 nan 0.000 0.432 236 F N -0.379 119.654 119.950 0.137 0.000 2.102 236 F HA -0.252 4.272 4.527 -0.004 0.000 0.298 236 F C 2.255 178.137 175.800 0.136 0.000 1.105 236 F CA 2.037 60.131 58.000 0.157 0.000 1.239 236 F CB -0.185 38.882 39.000 0.111 0.000 0.991 236 F HN 0.071 nan 8.300 nan 0.000 0.474 237 M N -0.071 119.688 119.600 0.264 0.000 2.117 237 M HA -0.205 4.272 4.480 -0.004 0.000 0.262 237 M C 2.347 178.682 176.300 0.059 0.000 1.065 237 M CA 1.385 56.761 55.300 0.125 0.000 1.114 237 M CB -0.594 32.164 32.600 0.264 0.000 1.361 237 M HN 0.339 nan 8.290 nan 0.000 0.408 238 L N 0.623 121.924 121.223 0.129 0.000 1.990 238 L HA -0.284 4.053 4.340 -0.004 0.000 0.213 238 L C 2.266 179.202 176.870 0.109 0.000 1.072 238 L CA 1.905 56.814 54.840 0.115 0.000 0.755 238 L CB -0.349 41.785 42.059 0.124 0.000 0.889 238 L HN 0.335 nan 8.230 nan 0.000 0.432 239 I N -0.684 119.954 120.570 0.114 0.000 2.252 239 I HA -0.305 3.863 4.170 -0.004 0.000 0.245 239 I C 2.462 178.686 176.117 0.178 0.000 1.102 239 I CA 0.719 62.152 61.300 0.222 0.000 1.385 239 I CB -0.263 37.925 38.000 0.314 0.000 1.064 239 I HN 0.311 nan 8.210 nan 0.000 0.414 240 L N 1.454 122.500 121.223 -0.295 0.000 2.083 240 L HA -0.134 4.203 4.340 -0.004 0.000 0.209 240 L C 2.542 179.299 176.870 -0.189 0.000 1.083 240 L CA 2.019 56.400 54.840 -0.765 0.000 0.752 240 L CB -0.765 40.633 42.059 -1.102 0.000 0.899 240 L HN 0.176 nan 8.230 nan 0.000 0.433 241 A N -0.584 122.241 122.820 0.009 0.000 1.902 241 A HA -0.151 4.167 4.320 -0.004 0.000 0.217 241 A C 2.255 180.037 177.584 0.330 0.000 1.181 241 A CA 1.824 54.005 52.037 0.239 0.000 0.623 241 A CB -0.840 18.297 19.000 0.228 0.000 0.818 241 A HN 0.491 nan 8.150 nan 0.000 0.443 242 L N -2.027 119.361 121.223 0.275 0.000 2.079 242 L HA -0.204 4.133 4.340 -0.004 0.000 0.210 242 L C 2.484 179.463 176.870 0.180 0.000 1.081 242 L CA 1.408 56.424 54.840 0.294 0.000 0.752 242 L CB -0.552 41.602 42.059 0.157 0.000 0.896 242 L HN 0.391 nan 8.230 nan 0.000 0.433 243 F N -1.012 119.006 119.950 0.113 0.000 2.128 243 F HA -0.160 4.365 4.527 -0.004 0.000 0.295 243 F C 2.382 178.150 175.800 -0.054 0.000 1.100 243 F CA 1.141 59.177 58.000 0.061 0.000 1.260 243 F CB -0.730 38.330 39.000 0.100 0.000 1.009 243 F HN -0.263 nan 8.300 nan 0.000 0.476 244 V N -0.892 119.056 119.914 0.057 0.000 2.407 244 V HA -0.284 3.834 4.120 -0.004 0.000 0.248 244 V C 1.938 177.798 176.094 -0.390 0.000 1.055 244 V CA 1.855 64.034 62.300 -0.202 0.000 1.049 244 V CB -0.651 30.979 31.823 -0.322 0.000 0.662 244 V HN 0.223 nan 8.190 nan 0.000 0.455 245 F N -2.363 117.517 119.950 -0.117 0.000 2.437 245 F HA 0.127 4.651 4.527 -0.004 0.000 0.288 245 F C 1.929 177.462 175.800 -0.446 0.000 1.085 245 F CA 0.793 58.616 58.000 -0.295 0.000 1.430 245 F CB -0.107 38.608 39.000 -0.476 0.000 1.120 245 F HN 0.080 nan 8.300 nan 0.000 0.556 246 Y N -2.685 117.670 120.300 0.093 0.000 2.462 246 Y HA 0.252 4.799 4.550 -0.004 0.000 0.253 246 Y C 1.134 176.981 175.900 -0.088 0.000 1.095 246 Y CA 0.126 58.224 58.100 -0.003 0.000 1.283 246 Y CB 0.764 39.207 38.460 -0.027 0.000 1.138 246 Y HN -0.205 nan 8.280 nan 0.000 0.522 247 S N 0.189 115.878 115.700 -0.018 0.000 2.612 247 S HA 0.186 4.654 4.470 -0.004 0.000 0.203 247 S C -2.249 172.327 174.600 -0.039 0.000 0.965 247 S CA -0.748 57.411 58.200 -0.068 0.000 1.157 247 S CB 0.231 63.316 63.200 -0.191 0.000 1.526 247 S HN -0.004 nan 8.310 nan 0.000 0.423 248 P HA 0.080 nan 4.420 nan 0.000 0.229 248 P C 0.418 177.614 177.300 -0.174 0.000 1.160 248 P CA 0.699 63.548 63.100 -0.418 0.000 0.777 248 P CB 0.115 30.992 31.700 -1.370 0.000 0.814 249 N N -1.448 117.246 118.700 -0.011 0.000 2.171 249 N HA 0.053 4.791 4.740 -0.004 0.000 0.212 249 N C 1.043 176.663 175.510 0.183 0.000 1.184 249 N CA 0.241 53.392 53.050 0.168 0.000 0.888 249 N CB 0.126 38.761 38.487 0.247 0.000 1.038 249 N HN -0.002 nan 8.380 nan 0.000 0.517 250 T N 0.915 115.570 114.554 0.169 0.000 2.915 250 T HA 0.077 4.425 4.350 -0.004 0.000 0.269 250 T C 1.676 176.484 174.700 0.180 0.000 1.071 250 T CA 0.719 62.918 62.100 0.165 0.000 1.132 250 T CB 0.163 69.133 68.868 0.171 0.000 0.878 250 T HN 0.195 nan 8.240 nan 0.000 0.479 251 L N 0.287 121.650 121.223 0.234 0.000 2.667 251 L HA 0.363 4.701 4.340 -0.004 0.000 0.232 251 L C 1.329 178.376 176.870 0.294 0.000 1.138 251 L CA -0.535 54.436 54.840 0.217 0.000 0.921 251 L CB 0.096 42.292 42.059 0.229 0.000 1.180 251 L HN 0.190 nan 8.230 nan 0.000 0.487 252 G N -1.962 106.996 108.800 0.263 0.000 3.107 252 G HA2 0.345 4.303 3.960 -0.004 0.000 0.232 252 G HA3 0.345 4.303 3.960 -0.004 0.000 0.232 252 G C -1.595 173.460 174.900 0.258 0.000 1.339 252 G CA -0.387 44.886 45.100 0.288 0.000 1.033 252 G HN 0.166 nan 8.290 nan 0.000 0.567 253 H N -0.549 118.641 119.070 0.200 0.000 2.609 253 H HA 0.414 4.967 4.556 -0.004 0.000 0.344 253 H C -1.719 173.725 175.328 0.194 0.000 1.040 253 H CA -1.755 54.398 56.048 0.174 0.000 1.216 253 H CB 2.891 32.753 29.762 0.166 0.000 1.529 253 H HN 0.129 nan 8.280 nan 0.000 0.519 254 P HA -0.149 nan 4.420 nan 0.000 0.219 254 P C 0.640 178.198 177.300 0.431 0.000 1.146 254 P CA 0.999 64.351 63.100 0.419 0.000 0.808 254 P CB 0.337 32.194 31.700 0.263 0.000 0.779 255 D N -1.642 119.056 120.400 0.498 0.000 2.310 255 D HA -0.083 4.554 4.640 -0.004 0.000 0.212 255 D C 1.290 177.672 176.300 0.137 0.000 0.965 255 D CA 0.804 54.939 54.000 0.225 0.000 0.879 255 D CB -0.672 40.142 40.800 0.024 0.000 0.921 255 D HN 0.073 nan 8.370 nan 0.000 0.510 256 N N -0.736 118.042 118.700 0.130 0.000 2.383 256 N HA -0.017 4.721 4.740 -0.004 0.000 0.192 256 N C 0.018 175.563 175.510 0.058 0.000 1.141 256 N CA 0.084 53.146 53.050 0.020 0.000 0.851 256 N CB -0.049 38.371 38.487 -0.111 0.000 0.976 256 N HN 0.249 nan 8.380 nan 0.000 0.465 257 Y N -0.459 120.000 120.300 0.266 0.000 2.532 257 Y HA 0.360 4.907 4.550 -0.005 0.000 0.283 257 Y C -0.006 176.099 175.900 0.342 0.000 1.181 257 Y CA -0.164 58.156 58.100 0.366 0.000 1.256 257 Y CB 0.395 38.999 38.460 0.240 0.000 1.112 257 Y HN -0.078 nan 8.280 nan 0.000 0.521 258 I N 1.487 122.212 120.570 0.259 0.000 2.436 258 I HA 0.325 4.492 4.170 -0.004 0.000 0.289 258 I C -2.564 173.328 176.117 -0.375 0.000 1.010 258 I CA -2.647 58.623 61.300 -0.050 0.000 1.098 258 I CB 1.933 39.935 38.000 0.004 0.000 1.266 258 I HN -0.185 nan 8.210 nan 0.000 0.434 259 P HA 0.026 nan 4.420 nan 0.000 0.266 259 P C 0.194 177.202 177.300 -0.486 0.000 1.195 259 P CA -0.107 62.460 63.100 -0.890 0.000 0.768 259 P CB 0.469 31.714 31.700 -0.759 0.000 0.838 260 G N 2.058 110.480 108.800 -0.630 0.000 2.380 260 G HA2 0.112 4.069 3.960 -0.004 0.000 0.242 260 G HA3 0.112 4.069 3.960 -0.004 0.000 0.242 260 G C -0.188 174.454 174.900 -0.429 0.000 1.298 260 G CA 0.074 44.744 45.100 -0.718 0.000 0.878 260 G HN 0.509 nan 8.290 nan 0.000 0.542 261 N N 2.357 120.864 118.700 -0.322 0.000 2.531 261 N HA 0.358 5.096 4.740 -0.004 0.000 0.268 261 N C -1.962 173.432 175.510 -0.194 0.000 1.023 261 N CA -2.319 50.623 53.050 -0.180 0.000 0.896 261 N CB 2.478 40.944 38.487 -0.036 0.000 1.233 261 N HN 0.010 nan 8.380 nan 0.000 0.512 262 P HA 0.020 nan 4.420 nan 0.000 0.228 262 P C 0.815 178.218 177.300 0.173 0.000 1.151 262 P CA 0.939 63.861 63.100 -0.297 0.000 0.770 262 P CB 0.388 31.956 31.700 -0.220 0.000 0.786 263 L N -2.627 118.685 121.223 0.148 0.000 2.616 263 L HA 0.177 4.515 4.340 -0.004 0.000 0.229 263 L C 0.218 177.164 176.870 0.127 0.000 1.110 263 L CA 0.045 54.969 54.840 0.140 0.000 0.884 263 L CB 0.439 42.534 42.059 0.060 0.000 1.115 263 L HN -0.283 nan 8.230 nan 0.000 0.481 264 V N -0.344 119.681 119.914 0.184 0.000 2.567 264 V HA 0.252 4.370 4.120 -0.004 0.000 0.298 264 V C -0.400 175.661 176.094 -0.054 0.000 1.047 264 V CA -0.402 61.921 62.300 0.039 0.000 0.880 264 V CB 1.949 33.794 31.823 0.036 0.000 1.009 264 V HN 0.007 nan 8.190 nan 0.000 0.429 265 T N 6.730 121.010 114.554 -0.456 0.000 2.743 265 T HA 0.457 4.804 4.350 -0.004 0.000 0.292 265 T C -2.361 172.137 174.700 -0.336 0.000 0.972 265 T CA -1.037 60.573 62.100 -0.816 0.000 0.967 265 T CB 1.304 69.482 68.868 -1.150 0.000 0.926 265 T HN 0.430 nan 8.240 nan 0.000 0.459 266 P HA 0.216 nan 4.420 nan 0.000 0.267 266 P C 0.532 177.804 177.300 -0.046 0.000 1.200 266 P CA -0.325 62.743 63.100 -0.053 0.000 0.772 266 P CB 0.475 32.184 31.700 0.016 0.000 0.855 267 A N 1.955 124.774 122.820 -0.001 0.000 2.121 267 A HA -0.094 4.223 4.320 -0.004 0.000 0.218 267 A C 1.704 179.343 177.584 0.090 0.000 1.154 267 A CA 1.566 53.621 52.037 0.031 0.000 0.679 267 A CB -1.014 18.008 19.000 0.037 0.000 0.795 267 A HN 0.571 nan 8.150 nan 0.000 0.458 268 S N -0.706 115.059 115.700 0.107 0.000 2.605 268 S HA 0.246 4.713 4.470 -0.004 0.000 0.217 268 S C 0.536 175.270 174.600 0.223 0.000 0.958 268 S CA -0.405 57.900 58.200 0.174 0.000 0.919 268 S CB -0.701 62.623 63.200 0.207 0.000 0.780 268 S HN 0.513 nan 8.310 nan 0.000 0.507 269 I N 2.758 123.393 120.570 0.108 0.000 2.828 269 I HA 0.061 4.229 4.170 -0.004 0.000 0.292 269 I C -1.174 175.003 176.117 0.101 0.000 1.206 269 I CA 0.368 61.698 61.300 0.049 0.000 1.420 269 I CB 0.316 38.322 38.000 0.009 0.000 1.368 269 I HN 0.033 nan 8.210 nan 0.000 0.556 270 V N 8.039 128.030 119.914 0.128 0.000 2.733 270 V HA 0.399 4.517 4.120 -0.004 0.000 0.306 270 V C -2.197 173.841 176.094 -0.094 0.000 1.084 270 V CA -1.423 60.894 62.300 0.029 0.000 0.905 270 V CB 1.677 33.568 31.823 0.113 0.000 1.010 270 V HN 0.680 nan 8.190 nan 0.000 0.424 271 P HA 0.176 nan 4.420 nan 0.000 0.269 271 P C -0.407 176.676 177.300 -0.362 0.000 1.217 271 P CA -0.326 62.515 63.100 -0.431 0.000 0.783 271 P CB 0.383 31.669 31.700 -0.690 0.000 0.898 272 E N 1.351 121.232 120.200 -0.532 0.000 2.534 272 E HA -0.132 4.215 4.350 -0.004 0.000 0.264 272 E C 1.159 177.325 176.600 -0.723 0.000 0.981 272 E CA 0.272 56.236 56.400 -0.726 0.000 0.948 272 E CB -0.084 28.840 29.700 -1.293 0.000 0.934 272 E HN 0.569 nan 8.360 nan 0.000 0.459 273 W N 3.928 124.929 121.300 -0.498 0.000 2.350 273 W HA -0.300 4.357 4.660 -0.004 0.000 0.289 273 W C 0.972 177.354 176.519 -0.228 0.000 1.215 273 W CA 1.165 58.339 57.345 -0.284 0.000 1.236 273 W CB -0.870 28.522 29.460 -0.113 0.000 1.130 273 W HN 0.752 nan 8.180 nan 0.000 0.541 274 Y N -0.164 119.414 120.300 -1.204 0.000 2.583 274 Y HA 0.243 4.790 4.550 -0.004 0.000 0.293 274 Y C 2.113 177.755 175.900 -0.430 0.000 1.157 274 Y CA 0.437 57.905 58.100 -1.054 0.000 1.315 274 Y CB -1.325 36.178 38.460 -1.594 0.000 1.021 274 Y HN -0.096 nan 8.280 nan 0.000 0.536 275 L N -0.115 120.822 121.223 -0.477 0.000 2.607 275 L HA 0.142 4.480 4.340 -0.004 0.000 0.228 275 L C 1.771 178.562 176.870 -0.130 0.000 1.123 275 L CA 0.040 54.775 54.840 -0.176 0.000 0.890 275 L CB -0.055 41.810 42.059 -0.325 0.000 1.103 275 L HN 0.307 nan 8.230 nan 0.000 0.468 276 L N 0.634 121.725 121.223 -0.220 0.000 2.046 276 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 276 L C -0.209 176.524 176.870 -0.227 0.000 1.077 276 L CA 1.522 56.262 54.840 -0.167 0.000 0.747 276 L CB -1.504 40.467 42.059 -0.146 0.000 0.896 276 L HN 0.223 nan 8.230 nan 0.000 0.432 277 P HA -0.167 nan 4.420 nan 0.000 0.218 277 P C 1.362 178.258 177.300 -0.672 0.000 1.148 277 P CA 1.567 64.178 63.100 -0.815 0.000 0.822 277 P CB 0.006 30.751 31.700 -1.592 0.000 0.784 278 F N -3.046 116.788 119.950 -0.194 0.000 2.234 278 F HA -0.077 4.448 4.527 -0.004 0.000 0.296 278 F C 2.470 178.208 175.800 -0.104 0.000 1.089 278 F CA 0.569 58.475 58.000 -0.155 0.000 1.343 278 F CB -1.090 37.837 39.000 -0.123 0.000 1.040 278 F HN -0.139 nan 8.300 nan 0.000 0.498 279 Y N 1.384 121.640 120.300 -0.073 0.000 2.128 279 Y HA -0.283 4.265 4.550 -0.004 0.000 0.284 279 Y C 2.371 178.201 175.900 -0.117 0.000 1.154 279 Y CA 1.217 59.254 58.100 -0.105 0.000 1.149 279 Y CB -0.828 37.560 38.460 -0.121 0.000 0.976 279 Y HN -0.010 nan 8.280 nan 0.000 0.505 280 A N 0.393 123.141 122.820 -0.120 0.000 1.908 280 A HA -0.196 4.122 4.320 -0.004 0.000 0.218 280 A C 2.357 179.825 177.584 -0.194 0.000 1.181 280 A CA 2.063 53.962 52.037 -0.231 0.000 0.627 280 A CB -1.192 17.692 19.000 -0.193 0.000 0.818 280 A HN 0.606 nan 8.150 nan 0.000 0.445 281 I N -0.841 119.634 120.570 -0.158 0.000 2.179 281 I HA -0.242 3.926 4.170 -0.004 0.000 0.242 281 I C 2.500 178.582 176.117 -0.057 0.000 1.088 281 I CA 1.454 62.701 61.300 -0.088 0.000 1.357 281 I CB -0.217 37.727 38.000 -0.093 0.000 1.051 281 I HN 0.469 nan 8.210 nan 0.000 0.409 282 L N 0.588 121.758 121.223 -0.088 0.000 2.046 282 L HA -0.225 4.113 4.340 -0.004 0.000 0.208 282 L C 2.689 179.481 176.870 -0.131 0.000 1.077 282 L CA 1.642 56.424 54.840 -0.097 0.000 0.747 282 L CB -0.299 41.695 42.059 -0.107 0.000 0.896 282 L HN 0.069 nan 8.230 nan 0.000 0.432 283 R N -0.953 119.408 120.500 -0.231 0.000 2.148 283 R HA -0.082 4.255 4.340 -0.004 0.000 0.227 283 R C 2.197 178.415 176.300 -0.137 0.000 1.103 283 R CA 1.236 57.186 56.100 -0.249 0.000 0.983 283 R CB -0.064 29.970 30.300 -0.443 0.000 0.874 283 R HN 0.387 nan 8.270 nan 0.000 0.451 284 S N 0.147 115.787 115.700 -0.100 0.000 2.474 284 S HA 0.031 4.499 4.470 -0.004 0.000 0.235 284 S C 0.589 175.179 174.600 -0.017 0.000 0.997 284 S CA 0.517 58.692 58.200 -0.041 0.000 0.949 284 S CB 0.123 63.317 63.200 -0.010 0.000 0.766 284 S HN 0.147 nan 8.310 nan 0.000 0.517 285 I N 3.218 123.775 120.570 -0.023 0.000 2.307 285 I HA 0.238 4.405 4.170 -0.004 0.000 0.289 285 I C -2.148 173.958 176.117 -0.019 0.000 1.021 285 I CA -2.522 58.772 61.300 -0.010 0.000 1.224 285 I CB 0.654 38.651 38.000 -0.004 0.000 1.376 285 I HN -0.091 nan 8.210 nan 0.000 0.470 286 P HA 0.105 nan 4.420 nan 0.000 0.258 286 P C -0.372 176.923 177.300 -0.008 0.000 1.559 286 P CA 0.335 63.428 63.100 -0.012 0.000 0.855 286 P CB -0.003 31.692 31.700 -0.008 0.000 1.594 287 D N -0.525 119.870 120.400 -0.009 0.000 2.879 287 D HA 0.167 4.804 4.640 -0.004 0.000 0.236 287 D C 1.121 177.417 176.300 -0.008 0.000 1.171 287 D CA -0.772 53.225 54.000 -0.005 0.000 0.868 287 D CB 2.053 42.850 40.800 -0.004 0.000 1.598 287 D HN -0.307 nan 8.370 nan 0.000 0.497 288 K N 2.695 123.093 120.400 -0.003 0.000 1.978 288 K HA -0.165 4.153 4.320 -0.004 0.000 0.214 288 K C 1.742 178.338 176.600 -0.008 0.000 1.049 288 K CA 1.502 57.787 56.287 -0.003 0.000 0.939 288 K CB -0.274 32.230 32.500 0.007 0.000 0.721 288 K HN 0.440 nan 8.250 nan 0.000 0.441 289 L N 1.220 122.439 121.223 -0.007 0.000 2.012 289 L HA -0.110 4.228 4.340 -0.004 0.000 0.210 289 L C 2.040 178.908 176.870 -0.005 0.000 1.073 289 L CA 1.650 56.484 54.840 -0.010 0.000 0.748 289 L CB -0.361 41.689 42.059 -0.016 0.000 0.891 289 L HN 0.325 nan 8.230 nan 0.000 0.431 290 L N -0.866 120.354 121.223 -0.006 0.000 2.217 290 L HA -0.022 4.315 4.340 -0.004 0.000 0.211 290 L C 2.482 179.351 176.870 -0.002 0.000 1.107 290 L CA 0.811 55.649 54.840 -0.004 0.000 0.783 290 L CB -1.197 40.858 42.059 -0.007 0.000 0.919 290 L HN 0.462 nan 8.230 nan 0.000 0.442 291 G N 0.174 108.967 108.800 -0.011 0.000 2.421 291 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.216 291 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.216 291 G C 1.665 176.543 174.900 -0.036 0.000 1.171 291 G CA 1.178 46.264 45.100 -0.024 0.000 0.775 291 G HN 0.312 nan 8.290 nan 0.000 0.543 292 V N -0.248 119.646 119.914 -0.034 0.000 2.667 292 V HA 0.058 4.176 4.120 -0.004 0.000 0.252 292 V C 2.527 178.656 176.094 0.059 0.000 1.065 292 V CA 1.275 63.544 62.300 -0.052 0.000 1.083 292 V CB -0.312 31.495 31.823 -0.026 0.000 0.692 292 V HN 0.401 nan 8.190 nan 0.000 0.468 293 I N 1.032 121.652 120.570 0.083 0.000 2.202 293 I HA -0.186 3.982 4.170 -0.004 0.000 0.242 293 I C 2.698 178.892 176.117 0.128 0.000 1.091 293 I CA 2.135 63.511 61.300 0.127 0.000 1.368 293 I CB -0.728 37.306 38.000 0.056 0.000 1.058 293 I HN 0.321 nan 8.210 nan 0.000 0.410 294 T N 0.747 115.346 114.554 0.075 0.000 2.788 294 T HA -0.220 4.127 4.350 -0.004 0.000 0.268 294 T C 1.849 176.684 174.700 0.226 0.000 1.044 294 T CA 1.386 63.556 62.100 0.116 0.000 1.139 294 T CB -0.196 68.712 68.868 0.068 0.000 0.867 294 T HN 0.342 nan 8.240 nan 0.000 0.454 295 M N -0.001 119.638 119.600 0.065 0.000 2.099 295 M HA -0.016 4.462 4.480 -0.004 0.000 0.262 295 M C 1.727 177.984 176.300 -0.072 0.000 1.067 295 M CA 1.703 56.984 55.300 -0.030 0.000 1.124 295 M CB -0.264 32.201 32.600 -0.225 0.000 1.353 295 M HN 0.226 nan 8.290 nan 0.000 0.410 296 F N 0.371 120.350 119.950 0.049 0.000 2.171 296 F HA -0.146 4.378 4.527 -0.004 0.000 0.300 296 F C 2.533 178.393 175.800 0.101 0.000 1.090 296 F CA 1.090 59.101 58.000 0.019 0.000 1.293 296 F CB -0.443 38.542 39.000 -0.025 0.000 1.013 296 F HN 0.283 nan 8.300 nan 0.000 0.486 297 A N -0.136 122.889 122.820 0.341 0.000 2.015 297 A HA -0.019 4.299 4.320 -0.004 0.000 0.219 297 A C 2.288 180.172 177.584 0.499 0.000 1.163 297 A CA 1.294 53.554 52.037 0.372 0.000 0.646 297 A CB -1.011 18.180 19.000 0.318 0.000 0.806 297 A HN 0.300 nan 8.150 nan 0.000 0.448 298 A N -0.248 122.857 122.820 0.476 0.000 2.015 298 A HA 0.006 4.324 4.320 -0.004 0.000 0.219 298 A C 2.004 179.811 177.584 0.371 0.000 1.163 298 A CA 1.385 53.594 52.037 0.287 0.000 0.646 298 A CB -0.450 18.578 19.000 0.046 0.000 0.806 298 A HN 0.518 nan 8.150 nan 0.000 0.448 299 I N -0.823 119.915 120.570 0.280 0.000 2.429 299 I HA -0.106 4.062 4.170 -0.004 0.000 0.247 299 I C 2.034 178.254 176.117 0.172 0.000 1.099 299 I CA 0.633 62.081 61.300 0.246 0.000 1.422 299 I CB -0.226 37.850 38.000 0.128 0.000 1.112 299 I HN 0.219 nan 8.210 nan 0.000 0.430 300 L N 0.108 121.430 121.223 0.165 0.000 2.275 300 L HA -0.131 4.206 4.340 -0.004 0.000 0.215 300 L C 2.482 179.391 176.870 0.064 0.000 1.119 300 L CA 0.521 55.429 54.840 0.114 0.000 0.790 300 L CB -0.474 41.658 42.059 0.123 0.000 0.919 300 L HN 0.152 nan 8.230 nan 0.000 0.443 301 V N 0.017 119.953 119.914 0.036 0.000 2.913 301 V HA -0.188 3.930 4.120 -0.004 0.000 0.260 301 V C 2.242 178.095 176.094 -0.402 0.000 1.098 301 V CA 0.934 63.163 62.300 -0.117 0.000 1.121 301 V CB -0.017 31.768 31.823 -0.064 0.000 0.714 301 V HN 0.267 nan 8.190 nan 0.000 0.487 302 L N -0.360 120.678 121.223 -0.307 0.000 2.187 302 L HA -0.115 4.222 4.340 -0.004 0.000 0.213 302 L C 2.124 179.103 176.870 0.182 0.000 1.100 302 L CA 1.850 56.613 54.840 -0.129 0.000 0.765 302 L CB -0.790 41.276 42.059 0.011 0.000 0.904 302 L HN 0.313 nan 8.230 nan 0.000 0.437 303 L N -2.272 119.029 121.223 0.131 0.000 2.465 303 L HA -0.078 4.259 4.340 -0.004 0.000 0.224 303 L C 2.110 179.133 176.870 0.254 0.000 1.145 303 L CA 0.028 55.012 54.840 0.240 0.000 0.834 303 L CB -0.212 41.952 42.059 0.175 0.000 0.944 303 L HN 0.038 nan 8.230 nan 0.000 0.451 304 V N -0.634 119.363 119.914 0.139 0.000 3.354 304 V HA -0.089 4.028 4.120 -0.004 0.000 0.258 304 V C 2.028 178.186 176.094 0.108 0.000 1.159 304 V CA 0.447 62.867 62.300 0.201 0.000 1.125 304 V CB 0.545 32.425 31.823 0.095 0.000 0.774 304 V HN 0.250 nan 8.190 nan 0.000 0.464 305 L N 1.372 122.533 121.223 -0.103 0.000 2.131 305 L HA -0.008 4.329 4.340 -0.004 0.000 0.210 305 L C -0.371 176.282 176.870 -0.363 0.000 1.092 305 L CA 2.222 56.844 54.840 -0.364 0.000 0.759 305 L CB -1.582 39.980 42.059 -0.828 0.000 0.903 305 L HN 0.284 nan 8.230 nan 0.000 0.435 306 P HA -0.121 nan 4.420 nan 0.000 0.220 306 P C 1.268 178.232 177.300 -0.559 0.000 1.148 306 P CA 1.500 64.362 63.100 -0.397 0.000 0.803 306 P CB -0.028 31.286 31.700 -0.643 0.000 0.782 307 F N -1.056 118.893 119.950 -0.003 0.000 2.446 307 F HA 0.012 4.537 4.527 -0.004 0.000 0.292 307 F C 2.265 178.050 175.800 -0.025 0.000 1.096 307 F CA 1.323 59.318 58.000 -0.008 0.000 1.438 307 F CB -1.482 37.515 39.000 -0.004 0.000 1.107 307 F HN -0.098 nan 8.300 nan 0.000 0.546 308 T N -3.250 111.350 114.554 0.077 0.000 3.081 308 T HA -0.023 4.325 4.350 -0.004 0.000 0.255 308 T C 0.487 175.154 174.700 -0.056 0.000 1.113 308 T CA 0.064 62.170 62.100 0.009 0.000 1.082 308 T CB -0.410 68.450 68.868 -0.014 0.000 0.939 308 T HN -0.051 nan 8.240 nan 0.000 0.506 309 D N 1.513 121.876 120.400 -0.061 0.000 2.352 309 D HA 0.181 4.819 4.640 -0.004 0.000 0.245 309 D C 1.003 177.283 176.300 -0.034 0.000 1.224 309 D CA -0.503 53.469 54.000 -0.046 0.000 0.879 309 D CB 0.674 41.503 40.800 0.049 0.000 1.057 309 D HN 0.019 nan 8.370 nan 0.000 0.491 310 R N 2.073 122.552 120.500 -0.036 0.000 2.280 310 R HA 0.064 4.402 4.340 -0.004 0.000 0.195 310 R C 0.976 177.266 176.300 -0.017 0.000 0.935 310 R CA -0.129 55.957 56.100 -0.023 0.000 1.033 310 R CB -0.556 29.731 30.300 -0.021 0.000 0.964 310 R HN 0.344 nan 8.270 nan 0.000 0.489 311 S N 0.131 115.822 115.700 -0.015 0.000 2.553 311 S HA -0.031 4.436 4.470 -0.004 0.000 0.271 311 S C 1.157 175.747 174.600 -0.017 0.000 1.362 311 S CA 0.068 58.270 58.200 0.004 0.000 1.010 311 S CB 0.831 64.037 63.200 0.009 0.000 0.865 311 S HN 0.036 nan 8.310 nan 0.000 0.543 312 V N 2.837 122.744 119.914 -0.011 0.000 3.528 312 V HA 0.324 4.442 4.120 -0.004 0.000 0.294 312 V C 0.130 176.184 176.094 -0.066 0.000 1.404 312 V CA 0.603 62.881 62.300 -0.037 0.000 1.065 312 V CB 0.797 32.606 31.823 -0.024 0.000 0.904 312 V HN 0.685 nan 8.190 nan 0.000 0.435 313 V N 0.448 120.323 119.914 -0.065 0.000 2.680 313 V HA 0.631 4.749 4.120 -0.004 0.000 0.309 313 V C -0.250 175.801 176.094 -0.071 0.000 1.052 313 V CA -0.958 61.297 62.300 -0.075 0.000 0.908 313 V CB 1.850 33.614 31.823 -0.098 0.000 1.001 313 V HN 0.406 nan 8.190 nan 0.000 0.431 314 R N 4.018 124.469 120.500 -0.081 0.000 2.298 314 R HA 0.637 4.974 4.340 -0.004 0.000 0.310 314 R C 0.307 176.552 176.300 -0.091 0.000 1.068 314 R CA 1.021 57.047 56.100 -0.124 0.000 0.957 314 R CB 0.398 30.620 30.300 -0.129 0.000 1.003 314 R HN 2.074 nan 8.270 nan 0.000 0.454 315 G N 2.967 111.676 108.800 -0.152 0.000 2.662 315 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.686 315 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.686 315 G C -0.449 174.292 174.900 -0.265 0.000 1.271 315 G CA -0.504 44.488 45.100 -0.181 0.000 0.816 315 G HN 0.656 nan 8.290 nan 0.000 0.608 316 N N -0.520 117.837 118.700 -0.573 0.000 2.236 316 N HA 0.095 4.833 4.740 -0.004 0.000 0.196 316 N C 2.194 177.436 175.510 -0.446 0.000 1.114 316 N CA 0.986 53.663 53.050 -0.622 0.000 0.859 316 N CB 0.227 38.041 38.487 -1.121 0.000 0.982 316 N HN 0.571 nan 8.380 nan 0.000 0.493 317 T N -0.190 114.148 114.554 -0.360 0.000 2.759 317 T HA -0.064 4.283 4.350 -0.004 0.000 0.269 317 T C 0.767 175.262 174.700 -0.342 0.000 1.042 317 T CA 1.173 63.068 62.100 -0.342 0.000 1.140 317 T CB -0.216 68.317 68.868 -0.558 0.000 0.864 317 T HN 0.282 nan 8.240 nan 0.000 0.455 318 F N 0.908 120.913 119.950 0.092 0.000 2.850 318 F HA 0.391 4.916 4.527 -0.004 0.000 0.306 318 F C 0.387 176.325 175.800 0.230 0.000 1.162 318 F CA -0.632 57.460 58.000 0.154 0.000 1.327 318 F CB 0.314 39.397 39.000 0.139 0.000 0.953 318 F HN -0.267 nan 8.300 nan 0.000 0.507 319 K N 0.633 121.184 120.400 0.251 0.000 2.572 319 K HA 0.327 4.645 4.320 -0.004 0.000 0.244 319 K C 0.525 177.209 176.600 0.139 0.000 0.965 319 K CA -0.292 56.116 56.287 0.201 0.000 0.943 319 K CB 2.454 35.039 32.500 0.141 0.000 1.154 319 K HN -0.027 nan 8.250 nan 0.000 0.447 320 V N 2.599 122.589 119.914 0.125 0.000 2.343 320 V HA -0.233 3.885 4.120 -0.004 0.000 0.247 320 V C 1.743 177.944 176.094 0.179 0.000 1.051 320 V CA 1.570 63.950 62.300 0.134 0.000 1.036 320 V CB -0.244 31.626 31.823 0.077 0.000 0.654 320 V HN 0.625 nan 8.190 nan 0.000 0.451 321 L N -0.291 121.032 121.223 0.166 0.000 2.072 321 L HA -0.028 4.309 4.340 -0.004 0.000 0.205 321 L C 2.590 179.722 176.870 0.436 0.000 1.079 321 L CA 1.649 56.664 54.840 0.292 0.000 0.752 321 L CB -1.296 40.905 42.059 0.236 0.000 0.906 321 L HN 0.237 nan 8.230 nan 0.000 0.436 322 S N -0.629 115.231 115.700 0.268 0.000 2.382 322 S HA -0.183 4.285 4.470 -0.004 0.000 0.228 322 S C 1.963 176.702 174.600 0.232 0.000 1.027 322 S CA 1.131 59.465 58.200 0.223 0.000 0.991 322 S CB -0.074 63.160 63.200 0.056 0.000 0.823 322 S HN 0.368 nan 8.310 nan 0.000 0.469 323 K N 0.273 120.796 120.400 0.204 0.000 2.026 323 K HA -0.064 4.254 4.320 -0.004 0.000 0.208 323 K C 1.806 178.691 176.600 0.476 0.000 1.048 323 K CA 1.416 57.874 56.287 0.285 0.000 0.929 323 K CB -0.301 32.392 32.500 0.323 0.000 0.713 323 K HN 0.338 nan 8.250 nan 0.000 0.439 324 F N 0.405 120.520 119.950 0.275 0.000 2.075 324 F HA -0.184 4.340 4.527 -0.004 0.000 0.297 324 F C 1.667 177.516 175.800 0.081 0.000 1.113 324 F CA 1.506 59.602 58.000 0.158 0.000 1.218 324 F CB -0.170 38.798 39.000 -0.052 0.000 0.984 324 F HN -0.085 nan 8.300 nan 0.000 0.472 325 F N -1.035 119.091 119.950 0.294 0.000 2.407 325 F HA -0.107 4.418 4.527 -0.004 0.000 0.299 325 F C 2.089 177.931 175.800 0.070 0.000 1.097 325 F CA 0.921 59.032 58.000 0.185 0.000 1.422 325 F CB -0.735 38.447 39.000 0.304 0.000 1.067 325 F HN 0.093 nan 8.300 nan 0.000 0.539 326 F N -0.123 119.867 119.950 0.066 0.000 2.134 326 F HA -0.199 4.325 4.527 -0.004 0.000 0.299 326 F C 1.825 177.383 175.800 -0.403 0.000 1.097 326 F CA 1.603 59.457 58.000 -0.244 0.000 1.264 326 F CB -0.742 38.048 39.000 -0.350 0.000 1.001 326 F HN -0.105 nan 8.300 nan 0.000 0.479 327 F N -0.079 119.799 119.950 -0.120 0.000 2.407 327 F HA -0.127 4.398 4.527 -0.004 0.000 0.299 327 F C 2.217 177.889 175.800 -0.213 0.000 1.097 327 F CA 0.234 58.101 58.000 -0.221 0.000 1.422 327 F CB -0.334 38.689 39.000 0.038 0.000 1.067 327 F HN -0.022 nan 8.300 nan 0.000 0.539 328 I N -0.654 119.820 120.570 -0.159 0.000 2.202 328 I HA -0.314 3.854 4.170 -0.004 0.000 0.242 328 I C 2.415 178.417 176.117 -0.193 0.000 1.091 328 I CA 1.560 62.773 61.300 -0.145 0.000 1.368 328 I CB -1.149 36.772 38.000 -0.132 0.000 1.058 328 I HN 0.136 nan 8.210 nan 0.000 0.410 329 F N 1.662 121.298 119.950 -0.522 0.000 2.095 329 F HA -0.219 4.305 4.527 -0.004 0.000 0.298 329 F C 2.477 177.907 175.800 -0.618 0.000 1.104 329 F CA 1.619 59.167 58.000 -0.754 0.000 1.232 329 F CB -0.443 37.658 39.000 -1.499 0.000 0.987 329 F HN -0.206 nan 8.300 nan 0.000 0.475 330 V N -0.111 119.318 119.914 -0.808 0.000 2.261 330 V HA -0.321 3.797 4.120 -0.004 0.000 0.246 330 V C 2.265 178.003 176.094 -0.595 0.000 1.047 330 V CA 2.281 64.100 62.300 -0.801 0.000 1.015 330 V CB -0.888 30.381 31.823 -0.925 0.000 0.642 330 V HN 0.328 nan 8.190 nan 0.000 0.446 331 F N 0.159 119.967 119.950 -0.236 0.000 2.325 331 F HA -0.081 4.443 4.527 -0.004 0.000 0.299 331 F C 2.414 178.110 175.800 -0.173 0.000 1.090 331 F CA 1.305 59.214 58.000 -0.152 0.000 1.392 331 F CB -0.354 38.581 39.000 -0.108 0.000 1.053 331 F HN 0.194 nan 8.300 nan 0.000 0.521 332 N N 0.389 119.026 118.700 -0.106 0.000 2.244 332 N HA -0.229 4.509 4.740 -0.004 0.000 0.183 332 N C 1.974 177.377 175.510 -0.177 0.000 1.016 332 N CA 1.016 53.987 53.050 -0.132 0.000 0.866 332 N CB -0.223 38.162 38.487 -0.170 0.000 0.980 332 N HN 0.335 nan 8.380 nan 0.000 0.430 333 F N 1.357 121.013 119.950 -0.490 0.000 2.163 333 F HA -0.094 4.431 4.527 -0.004 0.000 0.297 333 F C 2.245 177.842 175.800 -0.338 0.000 1.094 333 F CA 0.754 58.463 58.000 -0.485 0.000 1.290 333 F CB -0.111 38.490 39.000 -0.664 0.000 1.017 333 F HN -0.190 nan 8.300 nan 0.000 0.483 334 V N 0.781 120.597 119.914 -0.164 0.000 2.392 334 V HA -0.309 3.809 4.120 -0.004 0.000 0.249 334 V C 2.411 178.407 176.094 -0.164 0.000 1.059 334 V CA 1.578 63.789 62.300 -0.149 0.000 1.051 334 V CB -0.756 31.069 31.823 0.004 0.000 0.658 334 V HN 0.406 nan 8.190 nan 0.000 0.455 335 L N -0.520 120.630 121.223 -0.122 0.000 2.017 335 L HA -0.131 4.207 4.340 -0.004 0.000 0.208 335 L C 2.446 179.214 176.870 -0.170 0.000 1.073 335 L CA 2.001 56.778 54.840 -0.106 0.000 0.745 335 L CB -0.795 41.231 42.059 -0.055 0.000 0.894 335 L HN 0.270 nan 8.230 nan 0.000 0.432 336 L N 0.461 121.538 121.223 -0.244 0.000 2.081 336 L HA -0.164 4.174 4.340 -0.004 0.000 0.212 336 L C 2.597 179.265 176.870 -0.337 0.000 1.080 336 L CA 2.040 56.696 54.840 -0.307 0.000 0.754 336 L CB -1.770 40.021 42.059 -0.446 0.000 0.893 336 L HN 0.332 nan 8.230 nan 0.000 0.433 337 G N -2.223 106.341 108.800 -0.393 0.000 2.408 337 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.215 337 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.215 337 G C 1.503 176.290 174.900 -0.188 0.000 1.156 337 G CA 0.599 45.511 45.100 -0.314 0.000 0.793 337 G HN 0.382 nan 8.290 nan 0.000 0.535 338 Q N 0.281 119.978 119.800 -0.171 0.000 2.167 338 Q HA -0.004 4.333 4.340 -0.004 0.000 0.202 338 Q C 2.376 178.259 176.000 -0.194 0.000 0.970 338 Q CA 0.847 56.559 55.803 -0.151 0.000 0.855 338 Q CB -0.266 28.400 28.738 -0.120 0.000 0.911 338 Q HN 0.382 nan 8.270 nan 0.000 0.438 339 I N -0.272 120.188 120.570 -0.183 0.000 2.252 339 I HA -0.129 4.039 4.170 -0.004 0.000 0.245 339 I C 2.118 178.137 176.117 -0.164 0.000 1.102 339 I CA 1.522 62.708 61.300 -0.191 0.000 1.385 339 I CB -1.709 36.218 38.000 -0.122 0.000 1.064 339 I HN 0.368 nan 8.210 nan 0.000 0.414 340 G N 0.717 109.450 108.800 -0.112 0.000 2.442 340 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.219 340 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.219 340 G C 1.671 176.605 174.900 0.057 0.000 1.141 340 G CA 0.866 45.992 45.100 0.043 0.000 0.763 340 G HN 0.501 nan 8.290 nan 0.000 0.554 341 A N -1.084 121.689 122.820 -0.077 0.000 2.235 341 A HA 0.342 4.659 4.320 -0.004 0.000 0.208 341 A C 1.077 178.533 177.584 -0.213 0.000 1.172 341 A CA 0.390 52.357 52.037 -0.117 0.000 0.786 341 A CB -0.363 18.563 19.000 -0.123 0.000 0.804 341 A HN 0.361 nan 8.150 nan 0.000 0.479 342 C N -0.509 118.628 119.300 -0.272 0.000 2.345 342 C HA 0.526 4.983 4.460 -0.004 0.000 0.370 342 C C 0.424 175.247 174.990 -0.278 0.000 1.209 342 C CA -1.100 57.668 59.018 -0.416 0.000 2.133 342 C CB 0.422 27.686 27.740 -0.793 0.000 2.293 342 C HN 0.572 nan 8.230 nan 0.000 0.544 343 H N 0.036 119.094 119.070 -0.019 0.000 2.615 343 H HA 0.151 4.704 4.556 -0.004 0.000 0.363 343 H C -0.259 175.152 175.328 0.138 0.000 1.148 343 H CA 0.144 56.242 56.048 0.085 0.000 1.401 343 H CB 0.589 30.422 29.762 0.118 0.000 1.461 343 H HN 0.363 nan 8.280 nan 0.000 0.588 344 V N 3.732 123.777 119.914 0.218 0.000 2.242 344 V HA 0.054 4.171 4.120 -0.004 0.000 0.242 344 V C 0.538 176.716 176.094 0.140 0.000 1.240 344 V CA 0.482 62.863 62.300 0.135 0.000 1.211 344 V CB -1.195 30.666 31.823 0.062 0.000 1.338 344 V HN 0.666 nan 8.190 nan 0.000 0.499 345 E N 1.767 122.081 120.200 0.189 0.000 2.446 345 E HA 0.426 4.774 4.350 -0.004 0.000 0.276 345 E C 0.484 177.069 176.600 -0.026 0.000 0.969 345 E CA -0.942 55.510 56.400 0.087 0.000 0.800 345 E CB 2.408 32.178 29.700 0.117 0.000 1.341 345 E HN 0.035 nan 8.360 nan 0.000 0.460 346 V N 1.978 121.828 119.914 -0.107 0.000 2.215 346 V HA -0.216 3.902 4.120 -0.004 0.000 0.249 346 V C -0.883 175.118 176.094 -0.154 0.000 1.054 346 V CA 2.520 64.751 62.300 -0.114 0.000 1.012 346 V CB -1.354 30.401 31.823 -0.113 0.000 0.639 346 V HN 0.742 nan 8.190 nan 0.000 0.448 347 P HA -0.172 nan 4.420 nan 0.000 0.218 347 P C 1.459 178.693 177.300 -0.111 0.000 1.149 347 P CA 1.792 64.752 63.100 -0.233 0.000 0.817 347 P CB -0.161 31.343 31.700 -0.327 0.000 0.785 348 Y N -0.252 120.048 120.300 0.000 0.000 2.220 348 Y HA -0.114 4.434 4.550 -0.004 0.000 0.291 348 Y C 2.643 178.533 175.900 -0.016 0.000 1.129 348 Y CA 0.071 58.166 58.100 -0.007 0.000 1.161 348 Y CB -0.886 37.574 38.460 -0.001 0.000 0.997 348 Y HN -0.275 nan 8.280 nan 0.000 0.522 349 V N 0.488 120.477 119.914 0.125 0.000 2.332 349 V HA -0.315 3.803 4.120 -0.004 0.000 0.248 349 V C 2.238 178.355 176.094 0.039 0.000 1.055 349 V CA 1.574 63.909 62.300 0.058 0.000 1.038 349 V CB -0.570 31.271 31.823 0.030 0.000 0.651 349 V HN 0.439 nan 8.190 nan 0.000 0.450 350 L N -0.928 120.314 121.223 0.031 0.000 2.072 350 L HA -0.129 4.209 4.340 -0.004 0.000 0.205 350 L C 2.433 179.328 176.870 0.042 0.000 1.079 350 L CA 1.898 56.753 54.840 0.024 0.000 0.752 350 L CB -0.219 41.844 42.059 0.007 0.000 0.906 350 L HN 0.320 nan 8.230 nan 0.000 0.436 351 M N -0.713 118.920 119.600 0.056 0.000 2.149 351 M HA -0.164 4.313 4.480 -0.004 0.000 0.261 351 M C 2.071 178.406 176.300 0.059 0.000 1.064 351 M CA 1.886 57.226 55.300 0.066 0.000 1.102 351 M CB -0.844 31.813 32.600 0.094 0.000 1.369 351 M HN 0.342 nan 8.290 nan 0.000 0.408 352 G N -0.498 108.331 108.800 0.049 0.000 2.408 352 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.217 352 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.217 352 G C 1.419 176.344 174.900 0.041 0.000 1.150 352 G CA 0.384 45.495 45.100 0.018 0.000 0.776 352 G HN 0.476 nan 8.290 nan 0.000 0.542 353 Q N -0.421 119.412 119.800 0.055 0.000 2.172 353 Q HA 0.114 4.451 4.340 -0.004 0.000 0.200 353 Q C 2.494 178.577 176.000 0.138 0.000 0.964 353 Q CA 0.644 56.496 55.803 0.082 0.000 0.855 353 Q CB -0.064 28.706 28.738 0.053 0.000 0.918 353 Q HN 0.514 nan 8.270 nan 0.000 0.444 354 I N 0.256 120.899 120.570 0.121 0.000 2.333 354 I HA -0.191 3.977 4.170 -0.004 0.000 0.246 354 I C 2.358 178.612 176.117 0.229 0.000 1.106 354 I CA 0.725 62.127 61.300 0.170 0.000 1.411 354 I CB -0.309 37.757 38.000 0.111 0.000 1.082 354 I HN 0.132 nan 8.210 nan 0.000 0.420 355 A N 0.445 123.353 122.820 0.147 0.000 1.940 355 A HA -0.215 4.102 4.320 -0.004 0.000 0.219 355 A C 2.361 180.044 177.584 0.165 0.000 1.176 355 A CA 2.459 54.568 52.037 0.120 0.000 0.631 355 A CB -1.104 17.916 19.000 0.033 0.000 0.814 355 A HN 0.377 nan 8.150 nan 0.000 0.446 356 T N -0.861 113.799 114.554 0.175 0.000 2.720 356 T HA -0.148 4.200 4.350 -0.004 0.000 0.268 356 T C 1.592 176.553 174.700 0.435 0.000 1.037 356 T CA 1.628 63.877 62.100 0.249 0.000 1.144 356 T CB -0.388 68.619 68.868 0.231 0.000 0.864 356 T HN 0.515 nan 8.240 nan 0.000 0.444 357 F N 1.694 121.806 119.950 0.269 0.000 2.102 357 F HA -0.012 4.512 4.527 -0.004 0.000 0.298 357 F C 1.978 177.967 175.800 0.314 0.000 1.105 357 F CA 0.930 59.102 58.000 0.288 0.000 1.239 357 F CB -0.484 38.622 39.000 0.177 0.000 0.991 357 F HN 0.079 nan 8.300 nan 0.000 0.474 358 I N -0.749 119.966 120.570 0.241 0.000 2.264 358 I HA -0.355 3.812 4.170 -0.004 0.000 0.248 358 I C 2.302 178.509 176.117 0.150 0.000 1.111 358 I CA 1.789 63.176 61.300 0.144 0.000 1.382 358 I CB -0.807 37.312 38.000 0.197 0.000 1.060 358 I HN 0.267 nan 8.210 nan 0.000 0.418 359 Y N 1.249 121.598 120.300 0.082 0.000 2.097 359 Y HA -0.313 4.235 4.550 -0.004 0.000 0.282 359 Y C 2.278 178.300 175.900 0.204 0.000 1.152 359 Y CA 1.916 60.079 58.100 0.106 0.000 1.136 359 Y CB -0.468 37.975 38.460 -0.029 0.000 0.975 359 Y HN -0.043 nan 8.280 nan 0.000 0.498 360 F N -0.438 119.753 119.950 0.403 0.000 2.206 360 F HA -0.077 4.448 4.527 -0.004 0.000 0.298 360 F C 2.523 178.366 175.800 0.072 0.000 1.090 360 F CA 0.876 59.060 58.000 0.307 0.000 1.323 360 F CB -0.682 38.449 39.000 0.217 0.000 1.028 360 F HN 0.145 nan 8.300 nan 0.000 0.492 361 A N -0.834 121.980 122.820 -0.009 0.000 2.015 361 A HA -0.237 4.080 4.320 -0.004 0.000 0.219 361 A C 1.941 179.467 177.584 -0.097 0.000 1.163 361 A CA 1.171 53.089 52.037 -0.199 0.000 0.646 361 A CB -1.267 17.409 19.000 -0.541 0.000 0.806 361 A HN 0.496 nan 8.150 nan 0.000 0.448 362 Y N -0.120 120.065 120.300 -0.192 0.000 2.097 362 Y HA -0.270 4.278 4.550 -0.004 0.000 0.282 362 Y C 1.873 177.522 175.900 -0.417 0.000 1.152 362 Y CA 2.150 60.036 58.100 -0.357 0.000 1.136 362 Y CB -0.592 37.542 38.460 -0.542 0.000 0.975 362 Y HN 0.318 nan 8.280 nan 0.000 0.498 363 F N -0.786 118.990 119.950 -0.290 0.000 2.187 363 F HA -0.107 4.417 4.527 -0.004 0.000 0.295 363 F C 2.116 177.779 175.800 -0.228 0.000 1.091 363 F CA 1.069 58.867 58.000 -0.337 0.000 1.308 363 F CB -0.419 38.477 39.000 -0.173 0.000 1.030 363 F HN -0.032 nan 8.300 nan 0.000 0.487 364 L N -1.024 120.246 121.223 0.077 0.000 2.375 364 L HA 0.084 4.422 4.340 -0.004 0.000 0.215 364 L C 1.629 178.480 176.870 -0.031 0.000 1.108 364 L CA 0.721 55.588 54.840 0.045 0.000 0.830 364 L CB 0.015 42.132 42.059 0.096 0.000 0.959 364 L HN 0.203 nan 8.230 nan 0.000 0.457 365 I N -1.681 118.834 120.570 -0.091 0.000 3.746 365 I HA -0.015 4.153 4.170 -0.004 0.000 0.262 365 I C 1.963 177.976 176.117 -0.173 0.000 1.153 365 I CA 0.144 61.386 61.300 -0.097 0.000 1.395 365 I CB 0.431 38.395 38.000 -0.061 0.000 1.589 365 I HN -0.081 nan 8.210 nan 0.000 0.441 366 I N 0.870 121.292 120.570 -0.248 0.000 2.142 366 I HA -0.250 3.918 4.170 -0.004 0.000 0.240 366 I C 2.497 178.376 176.117 -0.398 0.000 1.078 366 I CA 1.390 62.474 61.300 -0.361 0.000 1.343 366 I CB -0.208 37.559 38.000 -0.389 0.000 1.046 366 I HN 0.031 nan 8.210 nan 0.000 0.405 367 V N 1.590 121.213 119.914 -0.486 0.000 2.295 367 V HA -0.141 3.977 4.120 -0.004 0.000 0.246 367 V C -0.390 175.559 176.094 -0.242 0.000 1.049 367 V CA 2.079 64.122 62.300 -0.429 0.000 1.024 367 V CB -1.894 29.582 31.823 -0.579 0.000 0.648 367 V HN 0.327 nan 8.190 nan 0.000 0.447 368 P HA -0.077 nan 4.420 nan 0.000 0.217 368 P C 1.912 179.152 177.300 -0.100 0.000 1.150 368 P CA 1.318 64.350 63.100 -0.113 0.000 0.832 368 P CB -0.039 31.614 31.700 -0.078 0.000 0.787 369 V N 0.370 120.211 119.914 -0.123 0.000 2.323 369 V HA -0.170 3.947 4.120 -0.004 0.000 0.244 369 V C 2.600 178.632 176.094 -0.103 0.000 1.041 369 V CA 1.433 63.672 62.300 -0.102 0.000 1.025 369 V CB -0.982 30.774 31.823 -0.112 0.000 0.656 369 V HN -0.027 nan 8.190 nan 0.000 0.451 370 I N 1.215 121.695 120.570 -0.149 0.000 2.315 370 I HA -0.149 4.019 4.170 -0.004 0.000 0.248 370 I C 2.719 178.801 176.117 -0.058 0.000 1.117 370 I CA 2.115 63.345 61.300 -0.116 0.000 1.404 370 I CB -1.297 36.600 38.000 -0.172 0.000 1.071 370 I HN 0.531 nan 8.210 nan 0.000 0.419 371 S N -0.314 115.347 115.700 -0.065 0.000 2.406 371 S HA -0.120 4.347 4.470 -0.004 0.000 0.228 371 S C 1.978 176.577 174.600 -0.001 0.000 1.020 371 S CA 1.439 59.625 58.200 -0.022 0.000 0.965 371 S CB -0.857 62.319 63.200 -0.040 0.000 0.798 371 S HN 0.379 nan 8.310 nan 0.000 0.488 372 T N 2.970 117.510 114.554 -0.022 0.000 2.708 372 T HA 0.080 4.428 4.350 -0.004 0.000 0.266 372 T C 1.730 176.426 174.700 -0.006 0.000 1.037 372 T CA 1.569 63.661 62.100 -0.013 0.000 1.146 372 T CB -0.514 68.339 68.868 -0.026 0.000 0.865 372 T HN 0.378 nan 8.240 nan 0.000 0.435 373 I N 0.941 121.500 120.570 -0.019 0.000 2.179 373 I HA -0.179 3.989 4.170 -0.004 0.000 0.242 373 I C 2.669 178.771 176.117 -0.026 0.000 1.088 373 I CA 1.449 62.737 61.300 -0.020 0.000 1.357 373 I CB -0.359 37.624 38.000 -0.027 0.000 1.051 373 I HN 0.330 nan 8.210 nan 0.000 0.409 374 E N 0.530 120.714 120.200 -0.026 0.000 2.110 374 E HA -0.209 4.139 4.350 -0.004 0.000 0.193 374 E C 1.875 178.508 176.600 0.055 0.000 0.988 374 E CA 0.937 57.291 56.400 -0.075 0.000 0.804 374 E CB -0.137 29.554 29.700 -0.016 0.000 0.745 374 E HN 0.447 nan 8.360 nan 0.000 0.458 375 N N 0.470 119.256 118.700 0.144 0.000 2.069 375 N HA -0.149 4.589 4.740 -0.004 0.000 0.191 375 N C 1.894 177.513 175.510 0.181 0.000 1.031 375 N CA 1.056 54.229 53.050 0.204 0.000 0.852 375 N CB -0.395 38.148 38.487 0.092 0.000 1.018 375 N HN 0.015 nan 8.380 nan 0.000 0.423 376 V N 0.860 120.826 119.914 0.086 0.000 2.453 376 V HA -0.117 4.000 4.120 -0.004 0.000 0.247 376 V C 2.234 178.399 176.094 0.118 0.000 1.048 376 V CA 0.840 63.191 62.300 0.084 0.000 1.049 376 V CB -0.368 31.473 31.823 0.029 0.000 0.672 376 V HN 0.165 nan 8.190 nan 0.000 0.457 377 L N -0.906 120.330 121.223 0.022 0.000 2.046 377 L HA -0.088 4.250 4.340 -0.004 0.000 0.208 377 L C 2.218 179.080 176.870 -0.015 0.000 1.077 377 L CA 1.884 56.694 54.840 -0.050 0.000 0.747 377 L CB -1.203 40.743 42.059 -0.187 0.000 0.896 377 L HN 0.233 nan 8.230 nan 0.000 0.432 378 F N -1.884 118.110 119.950 0.073 0.000 2.161 378 F HA -0.271 4.253 4.527 -0.004 0.000 0.300 378 F C 2.524 178.376 175.800 0.087 0.000 1.089 378 F CA 1.351 59.389 58.000 0.064 0.000 1.282 378 F CB -0.946 38.089 39.000 0.058 0.000 1.010 378 F HN 0.113 nan 8.300 nan 0.000 0.485 379 Y N 1.084 121.489 120.300 0.175 0.000 2.130 379 Y HA -0.141 4.406 4.550 -0.004 0.000 0.287 379 Y C 2.332 178.266 175.900 0.057 0.000 1.124 379 Y CA 1.945 60.101 58.100 0.094 0.000 1.118 379 Y CB -0.546 37.954 38.460 0.067 0.000 0.994 379 Y HN 0.082 nan 8.280 nan 0.000 0.497 380 I N -1.683 118.989 120.570 0.170 0.000 3.176 380 I HA 0.106 4.273 4.170 -0.004 0.000 0.275 380 I C 1.899 178.002 176.117 -0.024 0.000 1.298 380 I CA 1.348 62.673 61.300 0.042 0.000 1.445 380 I CB -0.787 37.284 38.000 0.119 0.000 1.075 380 I HN 0.259 nan 8.210 nan 0.000 0.482 381 G N 1.560 110.357 108.800 -0.004 0.000 2.813 381 G HA2 0.073 4.031 3.960 -0.004 0.000 0.209 381 G HA3 0.073 4.031 3.960 -0.004 0.000 0.209 381 G C 1.638 176.519 174.900 -0.032 0.000 1.150 381 G CA -0.040 45.055 45.100 -0.009 0.000 0.785 381 G HN 0.523 nan 8.290 nan 0.000 0.535 382 R N -1.013 119.438 120.500 -0.082 0.000 2.573 382 R HA 0.210 4.548 4.340 -0.004 0.000 0.224 382 R C -0.204 176.001 176.300 -0.159 0.000 0.904 382 R CA -0.165 55.877 56.100 -0.096 0.000 0.995 382 R CB 0.664 30.921 30.300 -0.072 0.000 1.430 382 R HN 0.124 nan 8.270 nan 0.000 0.631 383 V N 3.418 123.163 119.914 -0.282 0.000 2.498 383 V HA 0.161 4.279 4.120 -0.004 0.000 0.279 383 V C 0.168 176.153 176.094 -0.181 0.000 1.048 383 V CA -0.307 61.803 62.300 -0.317 0.000 0.967 383 V CB 1.374 32.791 31.823 -0.677 0.000 0.988 383 V HN 0.249 nan 8.190 nan 0.000 0.473 384 N N 4.911 123.542 118.700 -0.115 0.000 2.761 384 N HA 0.396 5.134 4.740 -0.004 0.000 0.317 384 N C -0.331 175.154 175.510 -0.041 0.000 1.546 384 N CA -0.098 52.913 53.050 -0.065 0.000 1.015 384 N CB 0.934 39.392 38.487 -0.049 0.000 1.343 384 N HN 0.671 nan 8.380 nan 0.000 0.504 385 K N 0.000 120.379 120.400 -0.035 0.000 2.780 385 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 385 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 385 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 385 K HN 0.000 nan 8.250 nan 0.000 0.543