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 2v5r_1_A DATA FIRST_RESID 1 DATA SEQUENCE QKGPVFLKEP TNRIDFSNST GAEIEcKASG NPMPEIIWIR SDGTAVGDVP DATA SEQUENCE GLRQISSDGK LVFPPFRAED YRQEVHAQVY AcLARNQFGS IISRDVHVRA DATA SEQUENCE VVIQSYESEA DNEYVIRGNS VVMKcEIPSY VADFVFVDLW LDSEGRNYYP DATA SEQUENCE NNAAETDGKY LVLPSGELHI REVGPEDGYK SYQcRTKHRL TGETRLSATK DATA SEQUENCE GRLVITEPVG SVRPKVNPQD KHQFIDVELA SSYSLLcMAQ SYPTPSFRWY DATA SEQUENCE KFIEGTTRKQ AVVLNDRVKQ VSGTLIIKDA VVEDSGKYLc VVNNSVGGES DATA SEQUENCE VETVLTVTAP LSAKIDPPTQ TVDFGRPAVF TCQYTGNPIK TVSWMKDGKA DATA SEQUENCE IGHSESVLRI ESVKKEDKGM YQCFVRNDRE SAEASAELKL G 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.964 176.000 -0.060 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.014 0.000 1.022 1 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 2 K N 1.287 121.667 120.400 -0.034 0.000 2.156 2 K HA 0.637 4.958 4.320 0.001 0.000 0.254 2 K C 0.151 176.710 176.600 -0.069 0.000 0.950 2 K CA -0.002 56.251 56.287 -0.056 0.000 0.849 2 K CB 1.397 33.885 32.500 -0.020 0.000 1.100 2 K HN 0.282 nan 8.250 nan 0.000 0.434 3 G N 2.218 110.951 108.800 -0.112 0.000 2.510 3 G HA2 0.368 4.328 3.960 0.001 0.000 0.280 3 G HA3 0.368 4.328 3.960 0.001 0.000 0.280 3 G C -2.278 172.618 174.900 -0.007 0.000 1.386 3 G CA -0.892 44.190 45.100 -0.030 0.000 1.047 3 G HN 0.289 nan 8.290 nan 0.000 0.527 4 P HA 0.413 nan 4.420 nan 0.000 0.300 4 P C -0.497 176.721 177.300 -0.137 0.000 1.294 4 P CA -0.229 62.810 63.100 -0.101 0.000 0.757 4 P CB 0.518 32.130 31.700 -0.147 0.000 1.377 5 V N -2.793 116.965 119.914 -0.260 0.000 2.456 5 V HA 0.003 4.124 4.120 0.001 0.000 0.284 5 V C -1.544 174.386 176.094 -0.273 0.000 1.782 5 V CA -0.556 61.615 62.300 -0.216 0.000 0.792 5 V CB 0.150 31.925 31.823 -0.080 0.000 1.319 5 V HN 0.220 nan 8.190 nan 0.000 0.370 6 F N 4.462 124.395 119.950 -0.028 0.000 2.404 6 F HA 0.568 5.095 4.527 0.001 0.000 0.358 6 F C 0.661 176.446 175.800 -0.025 0.000 1.120 6 F CA 0.181 58.161 58.000 -0.033 0.000 1.144 6 F CB 1.426 40.394 39.000 -0.053 0.000 1.133 6 F HN 0.468 nan 8.300 nan 0.000 0.495 7 L N 2.100 123.439 121.223 0.192 0.000 2.296 7 L HA 0.216 4.557 4.340 0.001 0.000 0.193 7 L C 0.343 177.281 176.870 0.114 0.000 1.123 7 L CA 0.375 55.283 54.840 0.114 0.000 0.805 7 L CB 0.139 42.240 42.059 0.070 0.000 1.004 7 L HN 0.271 nan 8.230 nan 0.000 0.478 8 K N 1.702 122.178 120.400 0.126 0.000 2.250 8 K HA 0.210 4.531 4.320 0.001 0.000 0.280 8 K C -0.880 175.771 176.600 0.085 0.000 1.098 8 K CA 0.183 56.527 56.287 0.094 0.000 0.916 8 K CB 0.807 33.360 32.500 0.089 0.000 1.209 8 K HN 0.075 nan 8.250 nan 0.000 0.461 9 E N 2.907 123.103 120.200 -0.007 0.000 2.207 9 E HA 0.381 4.732 4.350 0.001 0.000 0.270 9 E C -2.357 174.175 176.600 -0.113 0.000 0.927 9 E CA -2.535 53.756 56.400 -0.183 0.000 0.799 9 E CB 1.264 30.763 29.700 -0.336 0.000 1.172 9 E HN 0.200 nan 8.360 nan 0.000 0.404 10 P HA 0.121 nan 4.420 nan 0.000 0.288 10 P C -0.904 176.393 177.300 -0.007 0.000 1.363 10 P CA -0.524 62.573 63.100 -0.004 0.000 0.837 10 P CB 0.523 32.267 31.700 0.073 0.000 0.981 11 T N 0.655 115.215 114.554 0.011 0.000 2.849 11 T HA -0.079 4.272 4.350 0.001 0.000 0.289 11 T C 1.346 176.077 174.700 0.051 0.000 1.010 11 T CA -0.240 61.869 62.100 0.015 0.000 1.161 11 T CB 0.275 69.155 68.868 0.021 0.000 0.989 11 T HN 0.277 nan 8.240 nan 0.000 0.523 12 N N 3.572 122.300 118.700 0.047 0.000 2.019 12 N HA -0.194 4.546 4.740 0.001 0.000 0.198 12 N C 0.571 176.189 175.510 0.179 0.000 1.065 12 N CA 1.368 54.482 53.050 0.107 0.000 0.881 12 N CB -0.245 38.298 38.487 0.094 0.000 1.079 12 N HN 0.692 nan 8.380 nan 0.000 0.460 13 R N 0.455 121.033 120.500 0.131 0.000 2.442 13 R HA 0.242 4.583 4.340 0.001 0.000 0.291 13 R C -0.470 175.921 176.300 0.153 0.000 1.069 13 R CA -0.004 56.177 56.100 0.136 0.000 1.022 13 R CB 0.831 31.144 30.300 0.023 0.000 0.976 13 R HN 0.316 nan 8.270 nan 0.000 0.443 14 I N 3.449 124.143 120.570 0.208 0.000 2.534 14 I HA 0.239 4.410 4.170 0.001 0.000 0.286 14 I C -0.846 175.471 176.117 0.334 0.000 1.094 14 I CA -0.708 60.718 61.300 0.210 0.000 1.055 14 I CB 1.776 39.867 38.000 0.153 0.000 1.225 14 I HN 0.623 nan 8.210 nan 0.000 0.435 15 D N 7.397 128.013 120.400 0.360 0.000 2.490 15 D HA 0.799 5.439 4.640 0.001 0.000 0.232 15 D C -0.517 176.091 176.300 0.513 0.000 1.053 15 D CA 0.017 54.281 54.000 0.440 0.000 0.914 15 D CB 3.012 43.995 40.800 0.306 0.000 1.431 15 D HN 0.352 nan 8.370 nan 0.000 0.483 16 F N -1.926 118.057 119.950 0.055 0.000 3.548 16 F HA 0.526 5.053 4.527 0.001 0.000 0.326 16 F C -1.656 174.158 175.800 0.023 0.000 1.036 16 F CA -0.983 57.038 58.000 0.035 0.000 0.820 16 F CB 0.972 40.003 39.000 0.051 0.000 1.590 16 F HN 0.397 nan 8.300 nan 0.000 0.460 17 S N -0.126 115.577 115.700 0.005 0.000 2.595 17 S HA 0.434 4.904 4.470 0.001 0.000 0.270 17 S C -1.718 172.826 174.600 -0.092 0.000 1.145 17 S CA -0.971 57.140 58.200 -0.147 0.000 0.825 17 S CB 0.948 64.032 63.200 -0.194 0.000 1.107 17 S HN 1.338 nan 8.310 nan 0.000 0.461 18 N N 0.876 119.311 118.700 -0.441 0.000 2.226 18 N HA 0.075 4.816 4.740 0.001 0.000 0.232 18 N C 0.428 175.756 175.510 -0.303 0.000 1.255 18 N CA 0.909 53.548 53.050 -0.684 0.000 0.855 18 N CB -0.756 37.060 38.487 -1.117 0.000 1.095 18 N HN 1.431 nan 8.380 nan 0.000 0.444 19 S N -3.040 112.530 115.700 -0.217 0.000 3.261 19 S HA -0.220 4.250 4.470 0.001 0.000 0.287 19 S C 0.704 175.270 174.600 -0.057 0.000 1.281 19 S CA 1.565 59.691 58.200 -0.123 0.000 1.053 19 S CB -2.120 60.995 63.200 -0.141 0.000 1.251 19 S HN 1.116 nan 8.310 nan 0.000 0.659 20 T N -1.865 112.684 114.554 -0.009 0.000 3.647 20 T HA 0.411 4.762 4.350 0.001 0.000 0.301 20 T C 1.050 175.829 174.700 0.131 0.000 0.876 20 T CA 1.638 63.769 62.100 0.051 0.000 1.051 20 T CB -0.355 68.543 68.868 0.050 0.000 1.154 20 T HN 2.042 nan 8.240 nan 0.000 0.547 21 G N 1.946 110.893 108.800 0.245 0.000 2.622 21 G HA2 0.290 4.251 3.960 0.001 0.000 0.272 21 G HA3 0.290 4.251 3.960 0.001 0.000 0.272 21 G C 0.226 175.270 174.900 0.241 0.000 1.308 21 G CA 0.254 45.618 45.100 0.441 0.000 0.919 21 G HN 1.780 nan 8.290 nan 0.000 0.565 22 A N -1.374 121.426 122.820 -0.034 0.000 2.588 22 A HA 0.972 5.293 4.320 0.001 0.000 0.309 22 A C -0.586 176.908 177.584 -0.150 0.000 1.173 22 A CA 0.737 52.613 52.037 -0.268 0.000 0.631 22 A CB 1.061 19.578 19.000 -0.805 0.000 1.364 22 A HN 2.385 nan 8.150 nan 0.000 0.526 23 E N -0.498 119.603 120.200 -0.165 0.000 2.419 23 E HA 0.502 4.853 4.350 0.001 0.000 0.285 23 E C -1.393 175.134 176.600 -0.123 0.000 1.079 23 E CA -0.854 55.474 56.400 -0.120 0.000 0.864 23 E CB 1.012 30.649 29.700 -0.105 0.000 1.216 23 E HN 1.040 nan 8.360 nan 0.000 0.428 24 I N -0.254 120.206 120.570 -0.182 0.000 2.382 24 I HA 0.442 4.613 4.170 0.001 0.000 0.286 24 I C -0.324 175.873 176.117 0.134 0.000 1.002 24 I CA -0.626 60.637 61.300 -0.061 0.000 1.135 24 I CB 1.302 39.238 38.000 -0.107 0.000 1.288 24 I HN 0.816 nan 8.210 nan 0.000 0.448 25 E N 6.083 126.396 120.200 0.187 0.000 1.996 25 E HA 0.243 4.594 4.350 0.001 0.000 0.280 25 E C -1.472 175.295 176.600 0.278 0.000 1.092 25 E CA -0.235 56.292 56.400 0.212 0.000 0.862 25 E CB 1.072 30.843 29.700 0.118 0.000 1.066 25 E HN 0.785 nan 8.360 nan 0.000 0.396 26 c N 6.490 125.311 118.600 0.368 0.000 2.346 26 c HA 0.507 5.077 4.570 0.001 0.000 0.326 26 c C -0.963 173.244 174.090 0.195 0.000 1.224 26 c CA -0.597 55.861 56.329 0.215 0.000 1.408 26 c CB -0.078 42.437 42.510 0.008 0.000 2.089 26 c HN 0.724 nan 8.230 nan 0.000 0.456 27 K N 4.689 125.189 120.400 0.167 0.000 2.371 27 K HA 0.822 5.143 4.320 0.001 0.000 0.251 27 K C -0.548 176.131 176.600 0.132 0.000 0.934 27 K CA -0.323 56.041 56.287 0.130 0.000 0.798 27 K CB 2.148 34.708 32.500 0.099 0.000 1.204 27 K HN 0.701 nan 8.250 nan 0.000 0.427 28 A N 1.118 123.970 122.820 0.053 0.000 2.344 28 A HA 0.771 5.092 4.320 0.001 0.000 0.307 28 A C -0.631 176.924 177.584 -0.048 0.000 1.151 28 A CA -0.639 51.370 52.037 -0.047 0.000 0.842 28 A CB 1.343 20.209 19.000 -0.223 0.000 1.350 28 A HN 0.723 nan 8.150 nan 0.000 0.459 29 S N -1.228 114.417 115.700 -0.091 0.000 2.568 29 S HA 0.941 5.411 4.470 0.001 0.000 0.293 29 S C -0.178 174.388 174.600 -0.058 0.000 1.089 29 S CA 0.006 58.176 58.200 -0.050 0.000 0.945 29 S CB 1.639 64.821 63.200 -0.029 0.000 1.077 29 S HN 2.523 nan 8.310 nan 0.000 0.485 30 G N 0.602 109.388 108.800 -0.023 0.000 2.315 30 G HA2 0.308 4.269 3.960 0.001 0.000 0.294 30 G HA3 0.308 4.269 3.960 0.001 0.000 0.294 30 G C -0.936 173.973 174.900 0.016 0.000 1.300 30 G CA -0.257 44.841 45.100 -0.005 0.000 0.843 30 G HN 1.167 nan 8.290 nan 0.000 0.527 31 N N -0.621 118.102 118.700 0.039 0.000 2.241 31 N HA 0.320 5.060 4.740 0.001 0.000 0.238 31 N C -1.228 174.320 175.510 0.063 0.000 1.244 31 N CA -0.469 52.607 53.050 0.043 0.000 0.880 31 N CB 0.995 39.502 38.487 0.033 0.000 1.179 31 N HN 0.292 nan 8.380 nan 0.000 0.513 32 P HA 0.243 nan 4.420 nan 0.000 0.200 32 P C -0.256 177.061 177.300 0.028 0.000 1.198 32 P CA 0.438 63.567 63.100 0.048 0.000 0.892 32 P CB 0.397 32.123 31.700 0.043 0.000 0.724 33 M N -1.764 117.849 119.600 0.021 0.000 2.638 33 M HA 0.130 4.611 4.480 0.001 0.000 0.140 33 M C -2.949 173.349 176.300 -0.002 0.000 0.876 33 M CA -1.138 54.167 55.300 0.008 0.000 0.677 33 M CB 0.361 32.967 32.600 0.009 0.000 2.797 33 M HN -0.121 nan 8.290 nan 0.000 0.339 34 P HA 0.036 nan 4.420 nan 0.000 0.258 34 P C -0.447 176.838 177.300 -0.025 0.000 1.172 34 P CA 0.511 63.589 63.100 -0.037 0.000 0.762 34 P CB 0.188 31.835 31.700 -0.088 0.000 0.764 35 E N 3.234 123.423 120.200 -0.018 0.000 2.052 35 E HA 0.261 4.612 4.350 0.001 0.000 0.283 35 E C -0.600 176.001 176.600 0.001 0.000 1.071 35 E CA -0.727 55.672 56.400 -0.001 0.000 0.851 35 E CB 0.075 29.777 29.700 0.002 0.000 1.066 35 E HN 0.246 nan 8.360 nan 0.000 0.396 36 I N 5.141 125.722 120.570 0.019 0.000 2.471 36 I HA 0.041 4.212 4.170 0.001 0.000 0.294 36 I C 0.106 176.255 176.117 0.053 0.000 1.123 36 I CA 0.323 61.635 61.300 0.019 0.000 1.336 36 I CB -0.253 37.778 38.000 0.053 0.000 1.430 36 I HN 0.549 nan 8.210 nan 0.000 0.533 37 I N 4.941 125.523 120.570 0.019 0.000 2.612 37 I HA 0.248 4.418 4.170 0.001 0.000 0.295 37 I C -0.507 175.632 176.117 0.037 0.000 1.011 37 I CA -0.629 60.712 61.300 0.068 0.000 1.326 37 I CB 0.915 38.944 38.000 0.048 0.000 1.427 37 I HN 0.432 nan 8.210 nan 0.000 0.537 38 W N 5.791 127.105 121.300 0.023 0.000 2.529 38 W HA 0.672 5.333 4.660 0.001 0.000 0.321 38 W C -0.201 176.350 176.519 0.054 0.000 1.047 38 W CA -0.346 57.018 57.345 0.031 0.000 1.216 38 W CB 1.480 30.917 29.460 -0.038 0.000 1.357 38 W HN 0.241 nan 8.180 nan 0.000 0.489 39 I N -0.249 120.499 120.570 0.295 0.000 3.174 39 I HA 0.714 4.885 4.170 0.001 0.000 0.313 39 I C -0.462 175.853 176.117 0.330 0.000 1.155 39 I CA -1.819 59.623 61.300 0.238 0.000 0.977 39 I CB 1.828 39.903 38.000 0.124 0.000 1.248 39 I HN 0.157 nan 8.210 nan 0.000 0.453 40 R N 1.175 121.817 120.500 0.237 0.000 2.531 40 R HA 0.259 4.599 4.340 0.001 0.000 0.273 40 R C 1.272 177.620 176.300 0.080 0.000 1.070 40 R CA 0.403 56.591 56.100 0.147 0.000 1.112 40 R CB 1.043 31.382 30.300 0.066 0.000 1.049 40 R HN 0.802 nan 8.270 nan 0.000 0.508 41 S N -0.223 115.495 115.700 0.029 0.000 2.584 41 S HA -0.139 4.331 4.470 0.001 0.000 0.240 41 S C 0.294 174.891 174.600 -0.005 0.000 0.975 41 S CA 0.922 59.130 58.200 0.013 0.000 0.949 41 S CB -0.523 62.673 63.200 -0.007 0.000 0.761 41 S HN 0.721 nan 8.310 nan 0.000 0.536 42 D N 0.032 120.431 120.400 -0.001 0.000 2.881 42 D HA 0.484 5.124 4.640 0.001 0.000 0.240 42 D C 1.299 177.602 176.300 0.005 0.000 1.249 42 D CA 0.139 54.135 54.000 -0.006 0.000 0.839 42 D CB -0.294 40.501 40.800 -0.008 0.000 1.042 42 D HN 0.281 nan 8.370 nan 0.000 0.475 43 G N 0.770 109.575 108.800 0.009 0.000 4.148 43 G HA2 -0.367 3.594 3.960 0.001 0.000 0.221 43 G HA3 -0.367 3.594 3.960 0.001 0.000 0.221 43 G C 0.713 175.632 174.900 0.031 0.000 1.373 43 G CA 0.418 45.526 45.100 0.013 0.000 0.940 43 G HN 0.819 nan 8.290 nan 0.000 0.610 44 T N 1.176 115.751 114.554 0.035 0.000 2.902 44 T HA 0.625 4.975 4.350 0.001 0.000 0.301 44 T C 0.700 175.445 174.700 0.075 0.000 1.012 44 T CA 0.615 62.742 62.100 0.046 0.000 1.151 44 T CB 1.601 70.493 68.868 0.039 0.000 0.946 44 T HN 1.798 nan 8.240 nan 0.000 0.542 45 A N 3.101 125.966 122.820 0.075 0.000 2.327 45 A HA 0.601 4.921 4.320 0.001 0.000 0.255 45 A C 0.755 178.406 177.584 0.112 0.000 1.099 45 A CA -0.556 51.544 52.037 0.104 0.000 0.801 45 A CB 0.041 19.091 19.000 0.083 0.000 1.062 45 A HN 1.549 nan 8.150 nan 0.000 0.496 46 V N -0.493 119.503 119.914 0.136 0.000 2.617 46 V HA 0.806 4.927 4.120 0.001 0.000 0.298 46 V C 0.660 176.772 176.094 0.029 0.000 1.048 46 V CA 0.066 62.427 62.300 0.103 0.000 0.964 46 V CB 0.792 32.682 31.823 0.112 0.000 1.004 46 V HN 1.221 nan 8.190 nan 0.000 0.466 47 G N 2.290 111.090 108.800 -0.000 0.000 2.882 47 G HA2 0.474 4.434 3.960 0.001 0.000 0.164 47 G HA3 0.474 4.434 3.960 0.001 0.000 0.164 47 G C -1.242 173.609 174.900 -0.082 0.000 1.429 47 G CA -0.141 44.941 45.100 -0.030 0.000 1.059 47 G HN 0.853 nan 8.290 nan 0.000 0.581 48 D N -1.195 119.156 120.400 -0.082 0.000 2.575 48 D HA 0.447 5.088 4.640 0.001 0.000 0.250 48 D C -0.913 175.327 176.300 -0.099 0.000 1.279 48 D CA -0.284 53.648 54.000 -0.113 0.000 0.925 48 D CB 1.953 42.698 40.800 -0.091 0.000 1.261 48 D HN 0.121 nan 8.370 nan 0.000 0.567 49 V N 5.690 125.526 119.914 -0.130 0.000 2.318 49 V HA 0.364 4.484 4.120 0.001 0.000 0.271 49 V C -1.999 174.043 176.094 -0.086 0.000 1.030 49 V CA -1.750 60.489 62.300 -0.102 0.000 0.844 49 V CB 1.190 32.940 31.823 -0.121 0.000 1.015 49 V HN 0.526 nan 8.190 nan 0.000 0.460 50 P HA 0.153 nan 4.420 nan 0.000 0.257 50 P C 0.981 178.274 177.300 -0.012 0.000 1.189 50 P CA 1.390 64.471 63.100 -0.033 0.000 0.780 50 P CB 0.265 31.954 31.700 -0.019 0.000 0.772 51 G N 1.842 110.641 108.800 -0.002 0.000 2.184 51 G HA2 -0.194 3.767 3.960 0.001 0.000 0.206 51 G HA3 -0.194 3.767 3.960 0.001 0.000 0.206 51 G C 0.098 175.051 174.900 0.088 0.000 0.995 51 G CA 0.148 45.276 45.100 0.046 0.000 0.651 51 G HN 0.472 nan 8.290 nan 0.000 0.511 52 L N -1.913 119.323 121.223 0.022 0.000 3.313 52 L HA 0.539 4.880 4.340 0.001 0.000 0.222 52 L C 1.088 177.849 176.870 -0.182 0.000 1.519 52 L CA -0.949 53.915 54.840 0.041 0.000 2.125 52 L CB -0.117 41.952 42.059 0.017 0.000 2.091 52 L HN 0.019 nan 8.230 nan 0.000 0.708 53 R N 1.354 121.634 120.500 -0.366 0.000 2.522 53 R HA 0.215 4.556 4.340 0.001 0.000 0.284 53 R C -1.200 174.825 176.300 -0.459 0.000 1.032 53 R CA 0.578 56.262 56.100 -0.694 0.000 1.049 53 R CB 0.334 30.269 30.300 -0.608 0.000 0.956 53 R HN 0.376 nan 8.270 nan 0.000 0.422 54 Q N 3.631 123.128 119.800 -0.506 0.000 2.313 54 Q HA 0.224 4.565 4.340 0.001 0.000 0.260 54 Q C -1.279 174.525 176.000 -0.326 0.000 0.972 54 Q CA -0.682 54.929 55.803 -0.321 0.000 0.886 54 Q CB 2.143 30.750 28.738 -0.218 0.000 1.373 54 Q HN 0.538 nan 8.270 nan 0.000 0.416 55 I N 2.049 122.473 120.570 -0.243 0.000 2.483 55 I HA 0.009 4.180 4.170 0.001 0.000 0.291 55 I C 0.855 176.882 176.117 -0.150 0.000 1.112 55 I CA 0.859 62.036 61.300 -0.205 0.000 1.350 55 I CB 0.572 38.504 38.000 -0.113 0.000 1.419 55 I HN 0.548 nan 8.210 nan 0.000 0.523 56 S N 3.514 119.113 115.700 -0.168 0.000 2.463 56 S HA 0.228 4.699 4.470 0.001 0.000 0.241 56 S C 1.331 175.899 174.600 -0.055 0.000 1.299 56 S CA 0.498 58.634 58.200 -0.106 0.000 0.979 56 S CB 0.456 63.589 63.200 -0.111 0.000 0.950 56 S HN 0.670 nan 8.310 nan 0.000 0.516 57 S N -0.302 115.381 115.700 -0.029 0.000 3.597 57 S HA 0.244 4.715 4.470 0.001 0.000 0.206 57 S C 0.028 174.640 174.600 0.021 0.000 0.948 57 S CA -0.395 57.805 58.200 -0.001 0.000 0.863 57 S CB -0.544 62.654 63.200 -0.003 0.000 1.015 57 S HN 0.754 nan 8.310 nan 0.000 0.616 58 D N 2.782 123.191 120.400 0.015 0.000 2.685 58 D HA 0.193 4.833 4.640 0.001 0.000 0.230 58 D C 0.655 176.985 176.300 0.051 0.000 1.098 58 D CA 0.621 54.639 54.000 0.029 0.000 1.246 58 D CB -0.856 39.955 40.800 0.019 0.000 1.136 58 D HN 0.666 nan 8.370 nan 0.000 0.472 59 G N 2.738 111.587 108.800 0.082 0.000 2.371 59 G HA2 -0.292 3.669 3.960 0.001 0.000 0.299 59 G HA3 -0.292 3.669 3.960 0.001 0.000 0.299 59 G C 0.027 175.027 174.900 0.167 0.000 1.014 59 G CA 1.079 46.263 45.100 0.139 0.000 1.097 59 G HN 0.614 nan 8.290 nan 0.000 0.512 60 K N -1.996 118.476 120.400 0.119 0.000 2.680 60 K HA 0.725 5.046 4.320 0.001 0.000 0.295 60 K C -1.704 174.741 176.600 -0.258 0.000 1.052 60 K CA -1.352 54.936 56.287 0.002 0.000 0.863 60 K CB 1.341 33.827 32.500 -0.023 0.000 1.549 60 K HN 0.571 nan 8.250 nan 0.000 0.391 61 L N 1.368 122.294 121.223 -0.496 0.000 2.518 61 L HA 0.336 4.677 4.340 0.001 0.000 0.262 61 L C -1.713 174.839 176.870 -0.531 0.000 0.982 61 L CA -0.459 53.961 54.840 -0.700 0.000 0.873 61 L CB 1.987 43.245 42.059 -1.335 0.000 1.198 61 L HN 0.542 nan 8.230 nan 0.000 0.427 62 V N 4.658 124.324 119.914 -0.415 0.000 2.432 62 V HA 0.328 4.449 4.120 0.001 0.000 0.275 62 V C -0.172 175.708 176.094 -0.358 0.000 1.043 62 V CA -0.049 62.087 62.300 -0.273 0.000 0.925 62 V CB 0.955 32.682 31.823 -0.159 0.000 0.985 62 V HN 0.500 nan 8.190 nan 0.000 0.466 63 F N 5.826 125.683 119.950 -0.155 0.000 2.359 63 F HA 0.405 4.933 4.527 0.001 0.000 0.355 63 F C -1.881 173.999 175.800 0.132 0.000 1.132 63 F CA -2.391 55.609 58.000 -0.001 0.000 1.246 63 F CB 0.655 39.683 39.000 0.047 0.000 1.569 63 F HN 0.356 nan 8.300 nan 0.000 0.561 64 P HA -0.096 nan 4.420 nan 0.000 0.264 64 P C -2.422 175.078 177.300 0.335 0.000 1.173 64 P CA -0.573 62.652 63.100 0.208 0.000 0.761 64 P CB -0.059 31.732 31.700 0.150 0.000 0.794 65 P HA 0.048 nan 4.420 nan 0.000 0.265 65 P C -0.784 176.621 177.300 0.175 0.000 1.193 65 P CA 0.572 63.757 63.100 0.141 0.000 0.765 65 P CB -0.075 31.652 31.700 0.046 0.000 0.823 66 F N 0.652 120.654 119.950 0.088 0.000 2.565 66 F HA 0.622 5.149 4.527 0.001 0.000 0.313 66 F C 0.050 175.870 175.800 0.034 0.000 1.091 66 F CA -1.763 56.281 58.000 0.073 0.000 0.915 66 F CB 1.084 40.144 39.000 0.100 0.000 1.208 66 F HN -0.034 nan 8.300 nan 0.000 0.453 67 R N 1.953 122.575 120.500 0.204 0.000 2.500 67 R HA 0.043 4.384 4.340 0.001 0.000 0.281 67 R C 1.021 177.468 176.300 0.245 0.000 0.953 67 R CA 0.624 56.803 56.100 0.132 0.000 1.108 67 R CB -0.142 30.240 30.300 0.137 0.000 0.901 67 R HN 1.040 nan 8.270 nan 0.000 0.410 68 A N 2.925 125.787 122.820 0.070 0.000 2.234 68 A HA -0.174 4.147 4.320 0.001 0.000 0.216 68 A C 0.908 178.628 177.584 0.227 0.000 1.167 68 A CA 1.399 53.506 52.037 0.117 0.000 0.698 68 A CB -0.116 18.876 19.000 -0.013 0.000 0.779 68 A HN 0.717 nan 8.150 nan 0.000 0.475 69 E N -0.350 119.973 120.200 0.204 0.000 2.498 69 E HA 0.091 4.442 4.350 0.001 0.000 0.203 69 E C -0.052 176.654 176.600 0.176 0.000 1.013 69 E CA 0.140 56.636 56.400 0.161 0.000 0.927 69 E CB 0.341 30.100 29.700 0.098 0.000 1.012 69 E HN 0.393 nan 8.360 nan 0.000 0.482 70 D N -0.234 120.317 120.400 0.251 0.000 2.368 70 D HA -0.021 4.620 4.640 0.001 0.000 0.218 70 D C -0.554 175.694 176.300 -0.085 0.000 1.112 70 D CA -0.130 53.959 54.000 0.149 0.000 0.834 70 D CB -0.126 40.806 40.800 0.218 0.000 0.953 70 D HN 0.183 nan 8.370 nan 0.000 0.505 71 Y N 2.283 122.431 120.300 -0.254 0.000 2.377 71 Y HA 0.229 4.779 4.550 0.001 0.000 0.330 71 Y C -0.083 175.794 175.900 -0.039 0.000 1.108 71 Y CA -0.128 57.668 58.100 -0.507 0.000 1.308 71 Y CB 0.361 38.684 38.460 -0.228 0.000 1.216 71 Y HN -0.258 nan 8.280 nan 0.000 0.518 72 R N 5.047 125.420 120.500 -0.211 0.000 2.522 72 R HA 0.115 4.456 4.340 0.001 0.000 0.283 72 R C 0.273 176.366 176.300 -0.346 0.000 1.074 72 R CA -0.844 55.170 56.100 -0.143 0.000 0.925 72 R CB 1.681 31.952 30.300 -0.049 0.000 1.205 72 R HN 0.669 nan 8.270 nan 0.000 0.436 73 Q N 1.506 121.182 119.800 -0.207 0.000 2.181 73 Q HA -0.244 4.096 4.340 0.001 0.000 0.205 73 Q C 1.061 176.995 176.000 -0.109 0.000 0.980 73 Q CA 2.126 57.842 55.803 -0.145 0.000 0.862 73 Q CB -0.459 28.332 28.738 0.090 0.000 0.905 73 Q HN 0.784 nan 8.270 nan 0.000 0.429 74 E N 0.244 120.395 120.200 -0.082 0.000 2.331 74 E HA -0.133 4.217 4.350 0.001 0.000 0.199 74 E C 1.187 177.754 176.600 -0.054 0.000 1.008 74 E CA 1.369 57.736 56.400 -0.055 0.000 0.843 74 E CB -0.105 29.573 29.700 -0.037 0.000 0.761 74 E HN 0.273 nan 8.360 nan 0.000 0.507 75 V N 0.029 119.859 119.914 -0.139 0.000 2.948 75 V HA -0.033 4.088 4.120 0.001 0.000 0.234 75 V C 1.634 177.692 176.094 -0.060 0.000 1.205 75 V CA 0.609 62.839 62.300 -0.117 0.000 1.234 75 V CB -0.126 31.428 31.823 -0.447 0.000 1.020 75 V HN 0.339 nan 8.190 nan 0.000 0.491 76 H N 0.637 119.619 119.070 -0.147 0.000 2.539 76 H HA 0.505 5.061 4.556 0.001 0.000 0.267 76 H C 0.712 175.975 175.328 -0.108 0.000 0.982 76 H CA 0.930 56.855 56.048 -0.205 0.000 1.146 76 H CB 0.513 29.887 29.762 -0.647 0.000 1.382 76 H HN 0.409 nan 8.280 nan 0.000 0.577 77 A N 1.398 124.223 122.820 0.009 0.000 3.300 77 A HA 0.342 4.663 4.320 0.001 0.000 0.300 77 A C -0.421 177.156 177.584 -0.012 0.000 1.099 77 A CA -0.611 51.462 52.037 0.061 0.000 0.846 77 A CB 0.947 20.032 19.000 0.142 0.000 1.255 77 A HN 0.032 nan 8.150 nan 0.000 0.519 78 Q N -0.241 119.496 119.800 -0.106 0.000 2.565 78 Q HA 0.538 4.879 4.340 0.001 0.000 0.294 78 Q C -0.694 175.059 176.000 -0.412 0.000 1.005 78 Q CA -0.733 54.896 55.803 -0.291 0.000 0.771 78 Q CB 2.308 30.754 28.738 -0.487 0.000 1.486 78 Q HN 0.738 nan 8.270 nan 0.000 0.422 79 V N -0.680 118.975 119.914 -0.433 0.000 2.370 79 V HA 0.563 4.683 4.120 0.001 0.000 0.279 79 V C -0.847 175.036 176.094 -0.353 0.000 1.029 79 V CA -0.570 61.492 62.300 -0.396 0.000 0.870 79 V CB -0.075 31.543 31.823 -0.341 0.000 0.984 79 V HN 0.540 nan 8.190 nan 0.000 0.451 80 Y N 2.550 122.910 120.300 0.100 0.000 2.568 80 Y HA 0.863 5.414 4.550 0.001 0.000 0.327 80 Y C 0.467 176.459 175.900 0.153 0.000 1.163 80 Y CA -0.756 57.488 58.100 0.239 0.000 1.219 80 Y CB 2.139 40.898 38.460 0.498 0.000 1.308 80 Y HN 0.950 nan 8.280 nan 0.000 0.503 81 A N 0.410 123.406 122.820 0.295 0.000 2.550 81 A HA 0.362 4.682 4.320 0.001 0.000 0.282 81 A C -1.259 176.138 177.584 -0.312 0.000 1.071 81 A CA -0.795 51.221 52.037 -0.034 0.000 0.838 81 A CB -0.035 18.986 19.000 0.035 0.000 1.361 81 A HN 0.892 nan 8.150 nan 0.000 0.408 82 c N 4.314 122.437 118.600 -0.795 0.000 2.601 82 c HA 0.315 4.886 4.570 0.001 0.000 0.405 82 c C 0.675 174.619 174.090 -0.244 0.000 1.441 82 c CA 0.239 56.042 56.329 -0.877 0.000 1.555 82 c CB -1.930 40.122 42.510 -0.764 0.000 2.450 82 c HN 0.748 nan 8.230 nan 0.000 0.614 83 L N 6.528 127.649 121.223 -0.170 0.000 2.305 83 L HA 0.530 4.870 4.340 0.001 0.000 0.281 83 L C 0.485 177.340 176.870 -0.024 0.000 1.085 83 L CA -0.131 54.693 54.840 -0.027 0.000 0.813 83 L CB 1.041 43.096 42.059 -0.007 0.000 1.157 83 L HN 0.858 nan 8.230 nan 0.000 0.436 84 A N 6.825 129.633 122.820 -0.021 0.000 2.586 84 A HA 0.482 4.802 4.320 0.001 0.000 0.320 84 A C -0.562 176.961 177.584 -0.101 0.000 1.281 84 A CA -0.624 51.341 52.037 -0.121 0.000 0.775 84 A CB 0.461 19.230 19.000 -0.385 0.000 1.122 84 A HN 0.773 nan 8.150 nan 0.000 0.470 85 R N 2.677 123.143 120.500 -0.056 0.000 2.670 85 R HA 0.542 4.882 4.340 0.001 0.000 0.289 85 R C -0.844 175.443 176.300 -0.021 0.000 0.965 85 R CA -0.431 55.651 56.100 -0.030 0.000 0.899 85 R CB 1.264 31.555 30.300 -0.015 0.000 1.173 85 R HN 0.814 nan 8.270 nan 0.000 0.456 86 N N 1.857 120.555 118.700 -0.003 0.000 3.550 86 N HA -0.007 4.733 4.740 0.001 0.000 0.357 86 N C 0.132 175.624 175.510 -0.031 0.000 1.585 86 N CA -0.439 52.610 53.050 -0.002 0.000 0.651 86 N CB 0.020 38.528 38.487 0.036 0.000 2.273 86 N HN 0.708 nan 8.380 nan 0.000 0.631 87 Q N -1.364 118.380 119.800 -0.092 0.000 2.424 87 Q HA 0.244 4.585 4.340 0.001 0.000 0.204 87 Q C 0.271 176.107 176.000 -0.274 0.000 0.933 87 Q CA 0.739 56.415 55.803 -0.212 0.000 0.929 87 Q CB -0.254 28.291 28.738 -0.322 0.000 1.037 87 Q HN 0.394 nan 8.270 nan 0.000 0.511 88 F N 1.107 121.056 119.950 -0.003 0.000 2.727 88 F HA 0.426 4.954 4.527 0.001 0.000 0.302 88 F C 1.085 176.888 175.800 0.005 0.000 1.097 88 F CA 0.593 58.597 58.000 0.006 0.000 1.330 88 F CB 1.078 40.085 39.000 0.011 0.000 1.084 88 F HN 0.247 nan 8.300 nan 0.000 0.578 89 G N -0.678 108.199 108.800 0.128 0.000 2.347 89 G HA2 0.223 4.183 3.960 0.001 0.000 0.341 89 G HA3 0.223 4.183 3.960 0.001 0.000 0.341 89 G C -1.238 173.683 174.900 0.035 0.000 1.287 89 G CA -0.888 44.252 45.100 0.067 0.000 0.984 89 G HN 0.009 nan 8.290 nan 0.000 0.526 90 S N -0.676 115.030 115.700 0.011 0.000 2.566 90 S HA 0.847 5.318 4.470 0.001 0.000 0.298 90 S C 0.070 174.674 174.600 0.006 0.000 1.083 90 S CA -0.234 57.964 58.200 -0.002 0.000 0.978 90 S CB 1.704 64.903 63.200 -0.001 0.000 1.073 90 S HN 1.465 nan 8.310 nan 0.000 0.491 91 I N -1.283 119.286 120.570 -0.003 0.000 2.785 91 I HA 0.661 4.831 4.170 0.001 0.000 0.302 91 I C -1.563 174.651 176.117 0.162 0.000 1.069 91 I CA -1.215 60.126 61.300 0.067 0.000 1.045 91 I CB 1.510 39.514 38.000 0.006 0.000 1.236 91 I HN 0.396 nan 8.210 nan 0.000 0.429 92 I N 3.645 124.385 120.570 0.284 0.000 2.389 92 I HA 0.253 4.424 4.170 0.001 0.000 0.288 92 I C 0.607 176.906 176.117 0.303 0.000 0.999 92 I CA -0.317 61.151 61.300 0.281 0.000 1.129 92 I CB 1.638 39.775 38.000 0.227 0.000 1.288 92 I HN 0.855 nan 8.210 nan 0.000 0.444 93 S N 6.493 122.256 115.700 0.104 0.000 2.572 93 S HA 0.295 4.766 4.470 0.001 0.000 0.279 93 S C 0.436 174.908 174.600 -0.214 0.000 1.341 93 S CA -0.638 57.307 58.200 -0.426 0.000 1.043 93 S CB 0.607 63.363 63.200 -0.740 0.000 0.887 93 S HN 0.616 nan 8.310 nan 0.000 0.516 94 R N 1.586 121.903 120.500 -0.305 0.000 2.873 94 R HA 0.186 4.527 4.340 0.001 0.000 0.267 94 R C -0.788 175.475 176.300 -0.061 0.000 1.009 94 R CA -0.232 55.761 56.100 -0.179 0.000 1.152 94 R CB -0.792 29.357 30.300 -0.252 0.000 1.047 94 R HN 0.545 nan 8.270 nan 0.000 0.470 95 D N 0.425 120.834 120.400 0.015 0.000 2.570 95 D HA 0.075 4.715 4.640 0.001 0.000 0.243 95 D C -0.470 175.833 176.300 0.004 0.000 1.171 95 D CA 0.451 54.441 54.000 -0.016 0.000 0.879 95 D CB 0.175 40.973 40.800 -0.003 0.000 1.143 95 D HN 0.387 nan 8.370 nan 0.000 0.511 96 V N 2.034 121.954 119.914 0.010 0.000 2.350 96 V HA 0.237 4.358 4.120 0.001 0.000 0.285 96 V C 0.166 176.325 176.094 0.109 0.000 1.014 96 V CA -0.943 61.436 62.300 0.131 0.000 0.831 96 V CB 1.344 33.305 31.823 0.231 0.000 1.000 96 V HN 0.424 nan 8.190 nan 0.000 0.433 97 H N 3.146 122.297 119.070 0.135 0.000 2.864 97 H HA 0.317 4.874 4.556 0.001 0.000 0.281 97 H C -0.130 175.300 175.328 0.170 0.000 1.093 97 H CA -0.147 55.972 56.048 0.118 0.000 1.453 97 H CB 2.182 31.996 29.762 0.086 0.000 1.462 97 H HN 0.593 nan 8.280 nan 0.000 0.480 98 V N 5.643 125.707 119.914 0.250 0.000 2.488 98 V HA 0.152 4.273 4.120 0.001 0.000 0.277 98 V C 0.251 176.495 176.094 0.251 0.000 1.046 98 V CA -0.100 62.357 62.300 0.261 0.000 0.986 98 V CB 0.516 32.452 31.823 0.188 0.000 0.989 98 V HN 0.755 nan 8.190 nan 0.000 0.475 99 R N 5.624 126.319 120.500 0.324 0.000 2.607 99 R HA 0.608 4.948 4.340 0.001 0.000 0.278 99 R C -0.341 175.663 176.300 -0.492 0.000 1.637 99 R CA -0.196 55.948 56.100 0.073 0.000 1.325 99 R CB 1.100 31.500 30.300 0.167 0.000 1.211 99 R HN 0.864 nan 8.270 nan 0.000 0.565 100 A N 2.515 124.910 122.820 -0.708 0.000 2.388 100 A HA 0.532 4.852 4.320 0.001 0.000 0.257 100 A C -0.470 177.012 177.584 -0.171 0.000 1.095 100 A CA -0.218 51.231 52.037 -0.981 0.000 0.791 100 A CB 1.028 19.903 19.000 -0.208 0.000 1.029 100 A HN 0.377 nan 8.150 nan 0.000 0.489 101 V N 3.065 122.854 119.914 -0.209 0.000 2.686 101 V HA 0.234 4.355 4.120 0.001 0.000 0.306 101 V C -0.222 175.798 176.094 -0.124 0.000 1.065 101 V CA -0.644 61.580 62.300 -0.125 0.000 0.894 101 V CB 1.973 33.639 31.823 -0.261 0.000 1.004 101 V HN 0.654 nan 8.190 nan 0.000 0.424 102 V N 6.135 125.975 119.914 -0.123 0.000 2.397 102 V HA 0.160 4.281 4.120 0.001 0.000 0.262 102 V C 0.423 176.435 176.094 -0.137 0.000 1.047 102 V CA -0.201 62.008 62.300 -0.151 0.000 1.003 102 V CB 0.624 32.362 31.823 -0.141 0.000 1.037 102 V HN 0.610 nan 8.190 nan 0.000 0.480 103 I N 5.382 125.856 120.570 -0.161 0.000 2.906 103 I HA 0.006 4.176 4.170 0.001 0.000 0.302 103 I C 0.381 176.454 176.117 -0.073 0.000 1.220 103 I CA 0.994 62.224 61.300 -0.117 0.000 1.441 103 I CB -0.182 37.719 38.000 -0.166 0.000 1.336 103 I HN 0.716 nan 8.210 nan 0.000 0.565 104 Q N 3.626 123.433 119.800 0.011 0.000 2.462 104 Q HA 0.286 4.626 4.340 0.001 0.000 0.285 104 Q C -0.804 175.237 176.000 0.067 0.000 1.035 104 Q CA -0.750 55.060 55.803 0.012 0.000 0.799 104 Q CB 2.065 30.793 28.738 -0.017 0.000 1.452 104 Q HN 0.525 nan 8.270 nan 0.000 0.404 105 S N 2.653 118.366 115.700 0.021 0.000 2.560 105 S HA 0.105 4.576 4.470 0.001 0.000 0.323 105 S C -0.711 173.985 174.600 0.161 0.000 1.191 105 S CA -0.021 58.184 58.200 0.008 0.000 1.231 105 S CB -0.981 62.214 63.200 -0.008 0.000 1.224 105 S HN 0.397 nan 8.310 nan 0.000 0.545 106 Y N 2.449 122.828 120.300 0.131 0.000 2.496 106 Y HA 0.826 5.377 4.550 0.001 0.000 0.331 106 Y C -0.259 175.675 175.900 0.057 0.000 1.140 106 Y CA -1.106 57.075 58.100 0.135 0.000 1.166 106 Y CB 1.183 39.722 38.460 0.132 0.000 1.249 106 Y HN 0.562 nan 8.280 nan 0.000 0.479 107 E N 1.000 121.430 120.200 0.385 0.000 2.537 107 E HA 0.300 4.651 4.350 0.001 0.000 0.301 107 E C -1.795 174.875 176.600 0.118 0.000 0.990 107 E CA -0.909 55.648 56.400 0.263 0.000 0.828 107 E CB 1.277 31.046 29.700 0.115 0.000 1.243 107 E HN 0.762 nan 8.360 nan 0.000 0.414 108 S N 2.006 117.742 115.700 0.061 0.000 2.632 108 S HA 0.560 5.030 4.470 0.001 0.000 0.271 108 S C -0.181 174.410 174.600 -0.014 0.000 1.260 108 S CA -0.775 57.413 58.200 -0.020 0.000 1.010 108 S CB 1.290 64.438 63.200 -0.086 0.000 0.965 108 S HN 0.557 nan 8.310 nan 0.000 0.534 109 E N -0.099 120.093 120.200 -0.014 0.000 2.299 109 E HA 0.703 5.054 4.350 0.001 0.000 0.265 109 E C -1.280 175.331 176.600 0.018 0.000 0.911 109 E CA -1.372 55.032 56.400 0.007 0.000 0.789 109 E CB 1.948 31.664 29.700 0.026 0.000 1.246 109 E HN 0.769 nan 8.360 nan 0.000 0.427 110 A N 2.181 125.029 122.820 0.047 0.000 2.310 110 A HA 0.385 4.705 4.320 0.001 0.000 0.304 110 A C -0.961 176.681 177.584 0.096 0.000 1.231 110 A CA -0.848 51.254 52.037 0.109 0.000 0.799 110 A CB 0.479 19.575 19.000 0.159 0.000 1.162 110 A HN 0.547 nan 8.150 nan 0.000 0.486 111 D N 1.265 121.714 120.400 0.081 0.000 2.423 111 D HA 0.180 4.821 4.640 0.001 0.000 0.255 111 D C -0.249 176.050 176.300 -0.000 0.000 1.174 111 D CA -0.282 53.747 54.000 0.048 0.000 1.008 111 D CB 0.619 41.450 40.800 0.051 0.000 1.101 111 D HN 0.542 nan 8.370 nan 0.000 0.516 112 N N 1.235 119.900 118.700 -0.058 0.000 2.529 112 N HA 0.106 4.846 4.740 0.001 0.000 0.278 112 N C -0.200 175.139 175.510 -0.285 0.000 1.146 112 N CA -0.128 52.781 53.050 -0.235 0.000 0.980 112 N CB 1.241 39.459 38.487 -0.447 0.000 1.124 112 N HN 0.267 nan 8.380 nan 0.000 0.458 113 E N 1.557 121.564 120.200 -0.322 0.000 2.175 113 E HA 0.248 4.598 4.350 0.001 0.000 0.278 113 E C -0.777 175.603 176.600 -0.366 0.000 0.969 113 E CA -0.419 55.836 56.400 -0.241 0.000 0.796 113 E CB 0.990 30.575 29.700 -0.191 0.000 1.104 113 E HN 0.403 nan 8.360 nan 0.000 0.395 114 Y N 0.852 121.131 120.300 -0.035 0.000 2.335 114 Y HA 0.326 4.876 4.550 0.001 0.000 0.339 114 Y C 0.171 176.047 175.900 -0.040 0.000 0.987 114 Y CA -0.623 57.458 58.100 -0.030 0.000 1.140 114 Y CB 1.230 39.680 38.460 -0.017 0.000 1.173 114 Y HN 0.096 nan 8.280 nan 0.000 0.486 115 V N 4.639 124.586 119.914 0.055 0.000 2.789 115 V HA 0.382 4.503 4.120 0.001 0.000 0.311 115 V C -0.109 175.989 176.094 0.006 0.000 1.073 115 V CA -1.266 61.038 62.300 0.007 0.000 0.921 115 V CB 2.239 34.029 31.823 -0.055 0.000 1.009 115 V HN 0.573 nan 8.190 nan 0.000 0.426 116 I N 4.187 124.761 120.570 0.006 0.000 2.494 116 I HA 0.185 4.355 4.170 0.001 0.000 0.289 116 I C 1.092 177.192 176.117 -0.028 0.000 1.106 116 I CA -0.102 61.188 61.300 -0.015 0.000 1.369 116 I CB 0.145 38.153 38.000 0.014 0.000 1.410 116 I HN 0.659 nan 8.210 nan 0.000 0.523 117 R N 5.681 126.139 120.500 -0.070 0.000 2.669 117 R HA -0.184 4.157 4.340 0.001 0.000 0.283 117 R C 1.001 177.300 176.300 -0.002 0.000 0.851 117 R CA 1.522 57.583 56.100 -0.065 0.000 1.126 117 R CB -0.253 29.981 30.300 -0.110 0.000 0.883 117 R HN 1.054 nan 8.270 nan 0.000 0.418 118 G N 3.390 112.199 108.800 0.014 0.000 2.284 118 G HA2 -0.277 3.684 3.960 0.001 0.000 0.230 118 G HA3 -0.277 3.684 3.960 0.001 0.000 0.230 118 G C 0.346 175.274 174.900 0.046 0.000 1.021 118 G CA 0.204 45.339 45.100 0.059 0.000 0.619 118 G HN 0.682 nan 8.290 nan 0.000 0.510 119 N N 1.073 119.799 118.700 0.044 0.000 2.317 119 N HA 0.461 5.201 4.740 0.001 0.000 0.245 119 N C 0.778 176.261 175.510 -0.045 0.000 1.294 119 N CA 0.717 53.786 53.050 0.033 0.000 0.924 119 N CB 0.785 39.303 38.487 0.051 0.000 1.186 119 N HN 0.654 nan 8.380 nan 0.000 0.495 120 S N -0.750 114.908 115.700 -0.070 0.000 2.730 120 S HA 0.645 5.116 4.470 0.001 0.000 0.284 120 S C -0.317 174.139 174.600 -0.240 0.000 1.153 120 S CA -0.638 57.443 58.200 -0.199 0.000 0.995 120 S CB 1.728 64.783 63.200 -0.242 0.000 1.058 120 S HN 0.367 nan 8.310 nan 0.000 0.552 121 V N -0.109 119.570 119.914 -0.392 0.000 3.147 121 V HA 0.659 4.779 4.120 0.001 0.000 0.299 121 V C -1.924 173.904 176.094 -0.443 0.000 1.302 121 V CA -0.594 61.503 62.300 -0.338 0.000 1.015 121 V CB 2.145 33.800 31.823 -0.281 0.000 1.086 121 V HN 0.962 nan 8.190 nan 0.000 0.437 122 V N 6.411 126.144 119.914 -0.301 0.000 2.447 122 V HA 0.498 4.619 4.120 0.001 0.000 0.292 122 V C -0.238 175.737 176.094 -0.199 0.000 1.021 122 V CA -0.379 61.769 62.300 -0.254 0.000 0.850 122 V CB 1.540 33.284 31.823 -0.132 0.000 1.005 122 V HN 0.861 nan 8.190 nan 0.000 0.426 123 M N 4.547 123.975 119.600 -0.286 0.000 2.157 123 M HA 0.548 5.029 4.480 0.001 0.000 0.354 123 M C -0.251 176.034 176.300 -0.025 0.000 1.170 123 M CA -0.147 55.028 55.300 -0.208 0.000 1.060 123 M CB 1.294 33.656 32.600 -0.396 0.000 1.615 123 M HN 0.423 nan 8.290 nan 0.000 0.460 124 K N 1.810 122.275 120.400 0.110 0.000 2.185 124 K HA 0.636 4.957 4.320 0.001 0.000 0.240 124 K C -0.324 176.438 176.600 0.270 0.000 0.983 124 K CA -0.636 55.781 56.287 0.216 0.000 0.873 124 K CB 1.879 34.448 32.500 0.115 0.000 1.118 124 K HN 1.087 nan 8.250 nan 0.000 0.441 125 c N 0.019 118.741 118.600 0.204 0.000 2.496 125 c HA 0.585 5.156 4.570 0.001 0.000 0.148 125 c C 0.824 174.917 174.090 0.006 0.000 2.859 125 c CA -0.144 56.221 56.329 0.059 0.000 1.950 125 c CB 0.719 43.157 42.510 -0.120 0.000 2.862 125 c HN 0.899 nan 8.230 nan 0.000 0.345 126 E N -0.594 119.601 120.200 -0.008 0.000 3.541 126 E HA 0.308 4.658 4.350 0.001 0.000 0.275 126 E C -0.546 176.010 176.600 -0.074 0.000 1.217 126 E CA 0.429 56.816 56.400 -0.022 0.000 1.883 126 E CB 0.018 29.716 29.700 -0.003 0.000 1.954 126 E HN 0.781 nan 8.360 nan 0.000 0.889 127 I N 2.827 123.339 120.570 -0.097 0.000 7.071 127 I HA -0.138 4.033 4.170 0.001 0.000 0.126 127 I C -2.661 173.332 176.117 -0.206 0.000 1.834 127 I CA -0.497 60.703 61.300 -0.166 0.000 2.037 127 I CB -0.901 36.991 38.000 -0.180 0.000 3.591 127 I HN 0.097 nan 8.210 nan 0.000 0.169 128 P HA 0.003 nan 4.420 nan 0.000 0.266 128 P C 0.911 177.950 177.300 -0.436 0.000 1.186 128 P CA 0.339 63.229 63.100 -0.349 0.000 0.767 128 P CB 0.608 31.990 31.700 -0.530 0.000 0.820 129 S N 1.430 116.971 115.700 -0.266 0.000 2.383 129 S HA -0.241 4.229 4.470 0.001 0.000 0.229 129 S C 1.705 176.227 174.600 -0.130 0.000 1.030 129 S CA 1.750 59.860 58.200 -0.150 0.000 1.002 129 S CB -1.323 61.860 63.200 -0.028 0.000 0.829 129 S HN 0.658 nan 8.310 nan 0.000 0.467 130 Y N 1.920 122.230 120.300 0.017 0.000 2.293 130 Y HA 0.076 4.626 4.550 0.001 0.000 0.291 130 Y C 2.219 178.226 175.900 0.178 0.000 1.137 130 Y CA 0.664 58.804 58.100 0.068 0.000 1.202 130 Y CB -0.936 37.569 38.460 0.075 0.000 0.990 130 Y HN 0.218 nan 8.280 nan 0.000 0.537 131 V N -2.114 117.782 119.914 -0.030 0.000 3.565 131 V HA 0.418 4.538 4.120 0.001 0.000 0.260 131 V C 2.323 178.349 176.094 -0.113 0.000 1.231 131 V CA 0.331 62.748 62.300 0.195 0.000 1.100 131 V CB -0.590 31.210 31.823 -0.038 0.000 0.807 131 V HN 0.360 nan 8.190 nan 0.000 0.454 132 A N 0.685 123.339 122.820 -0.276 0.000 2.084 132 A HA -0.288 4.033 4.320 0.001 0.000 0.221 132 A C 1.946 179.310 177.584 -0.366 0.000 1.161 132 A CA 2.203 54.069 52.037 -0.284 0.000 0.653 132 A CB -0.747 18.117 19.000 -0.228 0.000 0.802 132 A HN 0.563 nan 8.150 nan 0.000 0.457 133 D N -1.353 118.634 120.400 -0.689 0.000 2.317 133 D HA 0.001 4.642 4.640 0.001 0.000 0.211 133 D C 0.533 176.336 176.300 -0.829 0.000 0.966 133 D CA 0.820 54.286 54.000 -0.890 0.000 0.876 133 D CB -0.013 40.059 40.800 -1.214 0.000 0.927 133 D HN 0.593 nan 8.370 nan 0.000 0.519 134 F N -1.278 118.583 119.950 -0.147 0.000 2.859 134 F HA 0.312 4.839 4.527 0.001 0.000 0.324 134 F C -0.341 175.257 175.800 -0.336 0.000 1.158 134 F CA -0.739 57.147 58.000 -0.189 0.000 1.147 134 F CB 0.400 39.269 39.000 -0.217 0.000 1.137 134 F HN -0.355 nan 8.300 nan 0.000 0.516 135 V N 2.534 122.372 119.914 -0.127 0.000 2.482 135 V HA 0.540 4.661 4.120 0.001 0.000 0.295 135 V C -0.833 175.203 176.094 -0.097 0.000 1.026 135 V CA -0.966 61.174 62.300 -0.266 0.000 0.856 135 V CB 1.298 32.795 31.823 -0.544 0.000 1.001 135 V HN 0.260 nan 8.190 nan 0.000 0.424 136 F N 2.787 122.642 119.950 -0.159 0.000 2.556 136 F HA 0.866 5.394 4.527 0.001 0.000 0.314 136 F C -0.450 175.300 175.800 -0.084 0.000 1.106 136 F CA -1.468 56.468 58.000 -0.107 0.000 0.911 136 F CB 1.208 40.165 39.000 -0.071 0.000 1.190 136 F HN 0.191 nan 8.300 nan 0.000 0.448 137 V N 2.882 122.791 119.914 -0.008 0.000 2.694 137 V HA 0.014 4.135 4.120 0.001 0.000 0.306 137 V C 0.466 176.558 176.094 -0.004 0.000 1.054 137 V CA 0.819 63.058 62.300 -0.102 0.000 1.161 137 V CB 0.612 32.404 31.823 -0.051 0.000 0.916 137 V HN 1.015 nan 8.190 nan 0.000 0.490 138 D N 3.707 124.044 120.400 -0.106 0.000 2.525 138 D HA 0.199 4.839 4.640 0.001 0.000 0.231 138 D C -0.118 176.210 176.300 0.047 0.000 1.216 138 D CA 0.017 54.033 54.000 0.026 0.000 0.813 138 D CB 0.759 41.547 40.800 -0.021 0.000 1.108 138 D HN 0.432 nan 8.370 nan 0.000 0.524 139 L N -0.528 120.656 121.223 -0.064 0.000 2.892 139 L HA 0.510 4.850 4.340 0.001 0.000 0.269 139 L C -1.886 174.857 176.870 -0.212 0.000 1.058 139 L CA -0.775 54.048 54.840 -0.029 0.000 0.923 139 L CB 2.329 44.374 42.059 -0.024 0.000 1.518 139 L HN -0.081 nan 8.230 nan 0.000 0.402 140 W N 1.318 122.638 121.300 0.034 0.000 3.118 140 W HA 0.702 5.362 4.660 0.001 0.000 0.328 140 W C -1.559 175.046 176.519 0.143 0.000 1.239 140 W CA -0.300 57.100 57.345 0.092 0.000 1.176 140 W CB 1.812 31.323 29.460 0.085 0.000 1.433 140 W HN 0.040 nan 8.180 nan 0.000 0.562 141 L N 2.174 123.650 121.223 0.422 0.000 2.482 141 L HA 0.420 4.760 4.340 0.001 0.000 0.263 141 L C -0.612 176.361 176.870 0.171 0.000 0.957 141 L CA -0.647 54.323 54.840 0.216 0.000 0.836 141 L CB 1.511 43.611 42.059 0.069 0.000 1.324 141 L HN 0.167 nan 8.230 nan 0.000 0.406 142 D N -0.214 120.220 120.400 0.056 0.000 2.329 142 D HA 0.254 4.895 4.640 0.001 0.000 0.246 142 D C 0.861 177.089 176.300 -0.120 0.000 1.111 142 D CA -0.010 53.899 54.000 -0.151 0.000 0.941 142 D CB 1.621 42.338 40.800 -0.139 0.000 1.169 142 D HN 0.593 nan 8.370 nan 0.000 0.441 143 S N -0.228 115.376 115.700 -0.159 0.000 2.660 143 S HA -0.025 4.446 4.470 0.001 0.000 0.223 143 S C 0.743 175.303 174.600 -0.066 0.000 0.963 143 S CA 0.410 58.559 58.200 -0.084 0.000 0.932 143 S CB -0.085 63.074 63.200 -0.068 0.000 0.775 143 S HN 0.479 nan 8.310 nan 0.000 0.531 144 E N -0.652 119.500 120.200 -0.080 0.000 2.921 144 E HA 0.391 4.742 4.350 0.001 0.000 0.203 144 E C 0.863 177.429 176.600 -0.057 0.000 0.975 144 E CA 0.304 56.670 56.400 -0.056 0.000 1.225 144 E CB 0.489 30.160 29.700 -0.049 0.000 1.048 144 E HN 0.549 nan 8.360 nan 0.000 0.477 145 G N 1.272 110.033 108.800 -0.065 0.000 2.436 145 G HA2 -0.252 3.709 3.960 0.001 0.000 0.204 145 G HA3 -0.252 3.709 3.960 0.001 0.000 0.204 145 G C 0.362 175.200 174.900 -0.104 0.000 1.026 145 G CA -0.183 44.877 45.100 -0.066 0.000 0.658 145 G HN 0.208 nan 8.290 nan 0.000 0.499 146 R N 0.992 121.399 120.500 -0.154 0.000 2.582 146 R HA 0.581 4.921 4.340 0.001 0.000 0.271 146 R C -0.599 175.476 176.300 -0.376 0.000 1.078 146 R CA -0.042 55.873 56.100 -0.307 0.000 1.127 146 R CB 0.229 30.268 30.300 -0.434 0.000 1.038 146 R HN 0.297 nan 8.270 nan 0.000 0.500 147 N N 0.888 119.241 118.700 -0.578 0.000 2.269 147 N HA 0.275 5.016 4.740 0.001 0.000 0.304 147 N C -1.806 173.127 175.510 -0.962 0.000 1.072 147 N CA -0.419 52.246 53.050 -0.642 0.000 0.802 147 N CB 1.390 39.453 38.487 -0.707 0.000 1.348 147 N HN 0.390 nan 8.380 nan 0.000 0.484 148 Y N 1.621 121.673 120.300 -0.413 0.000 2.686 148 Y HA 0.342 4.893 4.550 0.001 0.000 0.331 148 Y C -0.766 175.045 175.900 -0.149 0.000 0.996 148 Y CA -0.812 57.150 58.100 -0.230 0.000 1.293 148 Y CB 0.150 38.572 38.460 -0.064 0.000 1.092 148 Y HN 0.457 nan 8.280 nan 0.000 0.524 149 Y N 2.870 123.278 120.300 0.180 0.000 2.346 149 Y HA 0.304 4.855 4.550 0.001 0.000 0.330 149 Y C -1.713 174.287 175.900 0.167 0.000 1.178 149 Y CA -2.339 55.852 58.100 0.153 0.000 1.331 149 Y CB 0.090 38.599 38.460 0.082 0.000 1.253 149 Y HN 0.394 nan 8.280 nan 0.000 0.529 150 P HA 0.071 nan 4.420 nan 0.000 0.271 150 P C -0.506 176.901 177.300 0.179 0.000 1.238 150 P CA 0.199 63.437 63.100 0.230 0.000 0.794 150 P CB 0.540 32.370 31.700 0.216 0.000 0.959 151 N N -0.163 118.611 118.700 0.124 0.000 3.179 151 N HA 0.159 4.899 4.740 0.001 0.000 0.250 151 N C -0.806 174.733 175.510 0.048 0.000 1.507 151 N CA -0.463 52.636 53.050 0.081 0.000 0.883 151 N CB 0.316 38.847 38.487 0.074 0.000 1.435 151 N HN 0.077 nan 8.380 nan 0.000 0.532 152 N N 0.681 119.394 118.700 0.022 0.000 2.376 152 N HA 0.388 5.129 4.740 0.001 0.000 0.249 152 N C -0.776 174.718 175.510 -0.027 0.000 1.140 152 N CA 0.684 53.733 53.050 -0.001 0.000 0.870 152 N CB -0.414 38.070 38.487 -0.004 0.000 1.124 152 N HN 0.657 nan 8.380 nan 0.000 0.505 153 A N -1.052 121.754 122.820 -0.022 0.000 3.091 153 A HA -0.140 4.181 4.320 0.001 0.000 0.271 153 A C 1.549 179.107 177.584 -0.045 0.000 1.400 153 A CA 0.739 52.746 52.037 -0.051 0.000 0.757 153 A CB -2.018 16.919 19.000 -0.104 0.000 1.032 153 A HN 0.418 nan 8.150 nan 0.000 0.519 154 A N 0.222 123.032 122.820 -0.017 0.000 1.834 154 A HA 0.210 4.531 4.320 0.001 0.000 0.216 154 A C 1.094 178.666 177.584 -0.019 0.000 1.203 154 A CA 1.824 53.853 52.037 -0.014 0.000 0.621 154 A CB -0.439 18.564 19.000 0.005 0.000 0.841 154 A HN 1.697 nan 8.150 nan 0.000 0.446 155 E N -2.422 117.775 120.200 -0.006 0.000 2.280 155 E HA 0.559 4.910 4.350 0.001 0.000 0.264 155 E C 0.008 176.591 176.600 -0.029 0.000 1.064 155 E CA 0.112 56.506 56.400 -0.009 0.000 0.900 155 E CB 1.421 31.130 29.700 0.014 0.000 1.123 155 E HN 0.069 nan 8.360 nan 0.000 0.418 156 T N 0.229 114.761 114.554 -0.037 0.000 3.254 156 T HA 0.019 4.370 4.350 0.001 0.000 0.267 156 T C -0.570 174.098 174.700 -0.053 0.000 0.946 156 T CA 0.116 62.177 62.100 -0.065 0.000 0.991 156 T CB 0.021 68.838 68.868 -0.086 0.000 1.205 156 T HN 0.631 nan 8.240 nan 0.000 0.494 157 D N 1.602 121.981 120.400 -0.035 0.000 2.455 157 D HA 0.489 5.130 4.640 0.001 0.000 0.234 157 D C 0.000 176.297 176.300 -0.006 0.000 1.224 157 D CA 0.496 54.481 54.000 -0.025 0.000 0.999 157 D CB -0.234 40.554 40.800 -0.019 0.000 1.072 157 D HN 0.501 nan 8.370 nan 0.000 0.514 158 G N 2.283 111.079 108.800 -0.007 0.000 2.519 158 G HA2 0.020 3.981 3.960 0.001 0.000 0.292 158 G HA3 0.020 3.981 3.960 0.001 0.000 0.292 158 G C 0.251 175.148 174.900 -0.005 0.000 1.507 158 G CA -0.783 44.327 45.100 0.016 0.000 0.806 158 G HN 0.248 nan 8.290 nan 0.000 0.523 159 K N -0.847 119.535 120.400 -0.030 0.000 2.074 159 K HA -0.054 4.266 4.320 0.001 0.000 0.209 159 K C -0.040 176.392 176.600 -0.279 0.000 1.048 159 K CA 1.275 57.448 56.287 -0.190 0.000 0.926 159 K CB -0.201 32.126 32.500 -0.289 0.000 0.713 159 K HN 0.467 nan 8.250 nan 0.000 0.444 160 Y N 0.180 120.513 120.300 0.055 0.000 2.420 160 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 160 Y C -0.142 175.784 175.900 0.044 0.000 1.094 160 Y CA -0.843 57.284 58.100 0.045 0.000 1.126 160 Y CB 1.508 40.065 38.460 0.161 0.000 1.217 160 Y HN -0.090 nan 8.280 nan 0.000 0.462 161 L N 2.637 123.962 121.223 0.170 0.000 2.513 161 L HA 0.472 4.812 4.340 0.001 0.000 0.261 161 L C -1.561 175.336 176.870 0.046 0.000 0.945 161 L CA -1.038 53.852 54.840 0.084 0.000 0.848 161 L CB 2.384 44.429 42.059 -0.024 0.000 1.334 161 L HN 0.335 nan 8.230 nan 0.000 0.407 162 V N 4.504 124.460 119.914 0.069 0.000 2.364 162 V HA 0.247 4.368 4.120 0.001 0.000 0.272 162 V C 0.269 176.397 176.094 0.057 0.000 1.036 162 V CA -0.651 61.693 62.300 0.073 0.000 0.880 162 V CB 1.309 33.240 31.823 0.181 0.000 0.991 162 V HN 0.391 nan 8.190 nan 0.000 0.460 163 L N 8.473 129.718 121.223 0.038 0.000 2.483 163 L HA 0.197 4.537 4.340 0.001 0.000 0.275 163 L C -0.832 176.064 176.870 0.044 0.000 1.220 163 L CA -1.479 53.368 54.840 0.013 0.000 0.833 163 L CB -0.163 41.906 42.059 0.017 0.000 1.102 163 L HN 0.365 nan 8.230 nan 0.000 0.490 164 P HA -0.204 nan 4.420 nan 0.000 0.219 164 P C 0.907 178.242 177.300 0.059 0.000 1.153 164 P CA 1.770 64.890 63.100 0.033 0.000 0.865 164 P CB 0.107 31.820 31.700 0.022 0.000 0.788 165 S N -2.909 112.830 115.700 0.065 0.000 2.660 165 S HA 0.406 4.877 4.470 0.001 0.000 0.227 165 S C 1.452 176.123 174.600 0.118 0.000 0.948 165 S CA 0.146 58.392 58.200 0.077 0.000 0.948 165 S CB -0.793 62.446 63.200 0.064 0.000 0.779 165 S HN 0.321 nan 8.310 nan 0.000 0.487 166 G N 0.829 109.721 108.800 0.154 0.000 2.155 166 G HA2 -0.264 3.697 3.960 0.001 0.000 0.257 166 G HA3 -0.264 3.697 3.960 0.001 0.000 0.257 166 G C -0.321 174.789 174.900 0.350 0.000 0.983 166 G CA 0.219 45.466 45.100 0.245 0.000 0.676 166 G HN 0.604 nan 8.290 nan 0.000 0.528 167 E N -0.848 119.482 120.200 0.218 0.000 2.319 167 E HA 0.661 5.012 4.350 0.001 0.000 0.268 167 E C 0.095 176.655 176.600 -0.066 0.000 1.050 167 E CA -0.930 55.561 56.400 0.152 0.000 0.878 167 E CB 1.523 31.261 29.700 0.064 0.000 1.066 167 E HN 0.256 nan 8.360 nan 0.000 0.406 168 L N 2.957 123.886 121.223 -0.489 0.000 2.257 168 L HA 0.197 4.538 4.340 0.001 0.000 0.290 168 L C -1.004 175.617 176.870 -0.416 0.000 1.044 168 L CA -0.224 54.185 54.840 -0.718 0.000 0.810 168 L CB 0.461 41.554 42.059 -1.610 0.000 1.193 168 L HN 0.545 nan 8.230 nan 0.000 0.425 169 H N 6.916 125.807 119.070 -0.299 0.000 2.685 169 H HA 0.337 4.893 4.556 0.001 0.000 0.286 169 H C -0.716 174.462 175.328 -0.250 0.000 1.102 169 H CA -0.556 55.350 56.048 -0.237 0.000 1.254 169 H CB 0.396 30.059 29.762 -0.164 0.000 1.397 169 H HN 0.627 nan 8.280 nan 0.000 0.473 170 I N 4.933 125.233 120.570 -0.449 0.000 2.441 170 I HA 0.120 4.290 4.170 0.001 0.000 0.287 170 I C 1.863 177.730 176.117 -0.417 0.000 1.049 170 I CA -0.197 60.825 61.300 -0.464 0.000 1.381 170 I CB 1.380 39.080 38.000 -0.500 0.000 1.409 170 I HN 0.476 nan 8.210 nan 0.000 0.523 171 R N 4.552 124.892 120.500 -0.266 0.000 2.193 171 R HA -0.004 4.336 4.340 0.001 0.000 0.213 171 R C 0.052 176.265 176.300 -0.144 0.000 1.055 171 R CA 0.929 56.963 56.100 -0.110 0.000 0.995 171 R CB 0.378 30.636 30.300 -0.071 0.000 0.893 171 R HN 0.834 nan 8.270 nan 0.000 0.459 172 E N -1.555 118.527 120.200 -0.197 0.000 2.403 172 E HA 0.111 4.461 4.350 0.001 0.000 0.280 172 E C -1.658 174.845 176.600 -0.161 0.000 1.101 172 E CA -0.789 55.529 56.400 -0.136 0.000 0.856 172 E CB 1.390 31.041 29.700 -0.082 0.000 1.303 172 E HN -0.125 nan 8.360 nan 0.000 0.441 173 V N 1.027 120.874 119.914 -0.112 0.000 2.445 173 V HA 0.521 4.641 4.120 0.001 0.000 0.283 173 V C 0.404 176.452 176.094 -0.077 0.000 1.014 173 V CA -0.022 62.211 62.300 -0.112 0.000 0.852 173 V CB 1.350 33.099 31.823 -0.123 0.000 1.021 173 V HN 0.798 nan 8.190 nan 0.000 0.435 174 G N 5.024 113.782 108.800 -0.071 0.000 2.572 174 G HA2 0.453 4.414 3.960 0.001 0.000 0.261 174 G HA3 0.453 4.414 3.960 0.001 0.000 0.261 174 G C -1.020 173.824 174.900 -0.093 0.000 1.197 174 G CA -0.982 44.081 45.100 -0.062 0.000 0.870 174 G HN 0.504 nan 8.290 nan 0.000 0.548 175 P HA -0.096 nan 4.420 nan 0.000 0.220 175 P C 0.814 177.946 177.300 -0.281 0.000 1.148 175 P CA 0.993 64.007 63.100 -0.143 0.000 0.803 175 P CB 0.097 31.746 31.700 -0.086 0.000 0.782 176 E N 0.073 120.145 120.200 -0.214 0.000 2.499 176 E HA -0.120 4.230 4.350 0.001 0.000 0.207 176 E C 0.279 176.731 176.600 -0.246 0.000 1.175 176 E CA 0.597 56.851 56.400 -0.243 0.000 0.932 176 E CB -0.828 28.827 29.700 -0.075 0.000 0.906 176 E HN 0.268 nan 8.360 nan 0.000 0.556 177 D N -0.823 119.418 120.400 -0.266 0.000 2.520 177 D HA 0.087 4.727 4.640 0.001 0.000 0.223 177 D C 1.385 177.598 176.300 -0.145 0.000 1.186 177 D CA 0.248 54.173 54.000 -0.125 0.000 0.821 177 D CB 0.594 41.365 40.800 -0.049 0.000 1.072 177 D HN 0.295 nan 8.370 nan 0.000 0.518 178 G N -0.123 108.464 108.800 -0.354 0.000 3.042 178 G HA2 -0.003 3.958 3.960 0.001 0.000 0.212 178 G HA3 -0.003 3.958 3.960 0.001 0.000 0.212 178 G C -0.312 174.546 174.900 -0.069 0.000 1.166 178 G CA -0.002 44.964 45.100 -0.224 0.000 0.767 178 G HN 0.085 nan 8.290 nan 0.000 0.546 179 Y N 0.168 120.486 120.300 0.031 0.000 2.686 179 Y HA 0.684 5.234 4.550 0.001 0.000 0.331 179 Y C 0.212 176.113 175.900 0.002 0.000 0.996 179 Y CA -2.156 55.953 58.100 0.016 0.000 1.293 179 Y CB 0.690 39.156 38.460 0.011 0.000 1.092 179 Y HN -0.034 nan 8.280 nan 0.000 0.524 180 K N 1.518 121.980 120.400 0.103 0.000 2.946 180 K HA 0.219 4.539 4.320 0.001 0.000 0.335 180 K C -1.405 175.153 176.600 -0.069 0.000 1.251 180 K CA -0.037 56.237 56.287 -0.022 0.000 1.007 180 K CB 0.539 33.005 32.500 -0.057 0.000 1.323 180 K HN 0.635 nan 8.250 nan 0.000 0.419 181 S N 2.133 117.748 115.700 -0.140 0.000 2.664 181 S HA 0.760 5.230 4.470 0.001 0.000 0.304 181 S C -0.971 173.488 174.600 -0.235 0.000 1.099 181 S CA -0.668 57.492 58.200 -0.066 0.000 1.003 181 S CB 1.181 64.386 63.200 0.009 0.000 1.092 181 S HN 0.429 nan 8.310 nan 0.000 0.525 182 Y N 0.563 120.913 120.300 0.082 0.000 2.406 182 Y HA 0.465 5.016 4.550 0.001 0.000 0.340 182 Y C -0.048 175.957 175.900 0.175 0.000 0.975 182 Y CA -0.802 57.389 58.100 0.150 0.000 1.056 182 Y CB 2.120 40.672 38.460 0.153 0.000 1.210 182 Y HN 0.756 nan 8.280 nan 0.000 0.448 183 Q N 2.043 122.016 119.800 0.289 0.000 2.413 183 Q HA 0.767 5.107 4.340 0.001 0.000 0.276 183 Q C -0.772 175.189 176.000 -0.065 0.000 1.099 183 Q CA -1.030 54.840 55.803 0.112 0.000 0.814 183 Q CB 2.556 31.312 28.738 0.030 0.000 1.379 183 Q HN 0.787 nan 8.270 nan 0.000 0.436 184 c N -0.061 118.291 118.600 -0.414 0.000 2.407 184 c HA 0.875 5.446 4.570 0.001 0.000 0.366 184 c C -0.187 173.611 174.090 -0.486 0.000 1.213 184 c CA -0.833 54.944 56.329 -0.921 0.000 2.011 184 c CB 1.478 42.993 42.510 -1.658 0.000 2.306 184 c HN 1.078 nan 8.230 nan 0.000 0.527 185 R N 1.460 121.673 120.500 -0.478 0.000 2.625 185 R HA 0.406 4.746 4.340 0.001 0.000 0.286 185 R C -0.012 176.127 176.300 -0.267 0.000 1.406 185 R CA 0.140 56.078 56.100 -0.270 0.000 1.052 185 R CB 1.234 31.427 30.300 -0.178 0.000 1.203 185 R HN 1.089 nan 8.270 nan 0.000 0.502 186 T N 0.660 115.063 114.554 -0.252 0.000 2.732 186 T HA 0.345 4.696 4.350 0.001 0.000 0.287 186 T C 0.074 174.574 174.700 -0.333 0.000 0.993 186 T CA -0.489 61.415 62.100 -0.326 0.000 0.966 186 T CB 1.070 69.755 68.868 -0.304 0.000 1.047 186 T HN 0.622 nan 8.240 nan 0.000 0.527 187 K N -0.954 119.104 120.400 -0.569 0.000 2.532 187 K HA 0.341 4.661 4.320 0.001 0.000 0.265 187 K C -1.392 174.976 176.600 -0.387 0.000 0.948 187 K CA -0.974 55.075 56.287 -0.397 0.000 0.842 187 K CB 1.537 33.808 32.500 -0.382 0.000 1.392 187 K HN 0.717 nan 8.250 nan 0.000 0.436 188 H N 3.289 122.293 119.070 -0.110 0.000 2.604 188 H HA 0.201 4.757 4.556 0.001 0.000 0.306 188 H C 0.246 175.658 175.328 0.139 0.000 1.075 188 H CA -0.130 55.938 56.048 0.033 0.000 1.357 188 H CB 1.251 31.098 29.762 0.141 0.000 1.426 188 H HN 0.728 nan 8.280 nan 0.000 0.470 189 R N 3.651 124.317 120.500 0.275 0.000 2.280 189 R HA 0.026 4.367 4.340 0.001 0.000 0.207 189 R C 1.020 177.504 176.300 0.308 0.000 1.043 189 R CA 0.569 56.885 56.100 0.359 0.000 1.006 189 R CB 0.477 30.980 30.300 0.339 0.000 0.885 189 R HN 0.416 nan 8.270 nan 0.000 0.467 190 L N 0.275 121.760 121.223 0.437 0.000 2.630 190 L HA 0.032 4.373 4.340 0.001 0.000 0.180 190 L C 2.677 179.650 176.870 0.172 0.000 1.221 190 L CA 0.947 55.964 54.840 0.294 0.000 0.853 190 L CB -0.842 41.356 42.059 0.231 0.000 1.172 190 L HN 0.178 nan 8.230 nan 0.000 0.508 191 T N -1.431 113.140 114.554 0.028 0.000 2.665 191 T HA -0.165 4.186 4.350 0.001 0.000 0.268 191 T C 1.466 176.172 174.700 0.011 0.000 1.035 191 T CA 1.808 63.841 62.100 -0.112 0.000 1.151 191 T CB -0.564 68.094 68.868 -0.351 0.000 0.862 191 T HN 0.663 nan 8.240 nan 0.000 0.438 192 G N 0.721 109.582 108.800 0.102 0.000 2.148 192 G HA2 -0.196 3.765 3.960 0.001 0.000 0.203 192 G HA3 -0.196 3.765 3.960 0.001 0.000 0.203 192 G C -0.208 174.736 174.900 0.073 0.000 0.993 192 G CA 0.215 45.373 45.100 0.097 0.000 0.661 192 G HN 0.885 nan 8.290 nan 0.000 0.518 193 E N 1.617 121.872 120.200 0.091 0.000 2.129 193 E HA 0.394 4.745 4.350 0.001 0.000 0.283 193 E C -0.128 176.529 176.600 0.095 0.000 1.080 193 E CA -0.129 56.310 56.400 0.065 0.000 0.867 193 E CB 0.228 29.939 29.700 0.018 0.000 1.056 193 E HN 0.125 nan 8.360 nan 0.000 0.404 194 T N 5.544 120.118 114.554 0.032 0.000 2.814 194 T HA 0.247 4.598 4.350 0.001 0.000 0.297 194 T C -0.075 174.634 174.700 0.014 0.000 0.956 194 T CA -0.136 61.965 62.100 0.003 0.000 1.123 194 T CB 0.271 69.131 68.868 -0.013 0.000 0.902 194 T HN 0.514 nan 8.240 nan 0.000 0.528 195 R N 2.446 122.962 120.500 0.025 0.000 2.626 195 R HA 0.616 4.956 4.340 0.001 0.000 0.274 195 R C -1.305 174.993 176.300 -0.004 0.000 1.031 195 R CA -0.972 55.139 56.100 0.018 0.000 0.898 195 R CB 0.505 30.826 30.300 0.036 0.000 1.222 195 R HN 0.254 nan 8.270 nan 0.000 0.455 196 L N 1.194 122.402 121.223 -0.026 0.000 2.420 196 L HA 0.341 4.681 4.340 0.001 0.000 0.198 196 L C 0.440 177.288 176.870 -0.037 0.000 1.165 196 L CA 0.330 55.140 54.840 -0.050 0.000 0.863 196 L CB 0.412 42.447 42.059 -0.041 0.000 1.371 196 L HN 0.937 nan 8.230 nan 0.000 0.536 197 S N -1.175 114.494 115.700 -0.051 0.000 2.509 197 S HA 0.612 5.083 4.470 0.001 0.000 0.297 197 S C 0.730 175.326 174.600 -0.008 0.000 1.118 197 S CA -0.318 57.860 58.200 -0.035 0.000 1.074 197 S CB 1.450 64.607 63.200 -0.071 0.000 1.038 197 S HN 0.689 nan 8.310 nan 0.000 0.498 198 A N 2.773 125.598 122.820 0.009 0.000 1.927 198 A HA 0.097 4.418 4.320 0.001 0.000 0.220 198 A C 1.384 178.978 177.584 0.016 0.000 1.185 198 A CA 1.855 53.901 52.037 0.015 0.000 0.639 198 A CB -1.361 17.654 19.000 0.025 0.000 0.820 198 A HN 1.274 nan 8.150 nan 0.000 0.451 199 T N -2.811 111.755 114.554 0.020 0.000 2.901 199 T HA 0.605 4.956 4.350 0.001 0.000 0.293 199 T C -0.887 173.838 174.700 0.041 0.000 1.084 199 T CA -0.770 61.348 62.100 0.030 0.000 1.008 199 T CB 1.846 70.737 68.868 0.037 0.000 1.170 199 T HN 0.464 nan 8.240 nan 0.000 0.509 200 K N 0.229 120.663 120.400 0.056 0.000 2.376 200 K HA 0.701 5.021 4.320 0.001 0.000 0.257 200 K C 0.025 176.691 176.600 0.110 0.000 0.939 200 K CA -1.091 55.251 56.287 0.092 0.000 0.809 200 K CB 1.853 34.405 32.500 0.086 0.000 1.121 200 K HN 0.824 nan 8.250 nan 0.000 0.425 201 G N 2.545 111.436 108.800 0.152 0.000 2.390 201 G HA2 0.239 4.200 3.960 0.001 0.000 0.270 201 G HA3 0.239 4.200 3.960 0.001 0.000 0.270 201 G C -0.842 174.148 174.900 0.150 0.000 1.211 201 G CA -0.689 44.479 45.100 0.113 0.000 0.842 201 G HN 0.667 nan 8.290 nan 0.000 0.519 202 R N 1.986 122.522 120.500 0.059 0.000 2.540 202 R HA 0.482 4.823 4.340 0.001 0.000 0.287 202 R C -0.351 175.920 176.300 -0.049 0.000 0.980 202 R CA -0.820 55.319 56.100 0.064 0.000 0.966 202 R CB 0.897 31.221 30.300 0.039 0.000 1.106 202 R HN 0.411 nan 8.270 nan 0.000 0.480 203 L N 4.210 125.426 121.223 -0.012 0.000 2.281 203 L HA 0.281 4.622 4.340 0.001 0.000 0.285 203 L C -0.595 176.195 176.870 -0.132 0.000 1.074 203 L CA -0.742 54.030 54.840 -0.113 0.000 0.817 203 L CB 1.682 43.700 42.059 -0.069 0.000 1.168 203 L HN 0.421 nan 8.230 nan 0.000 0.434 204 V N 5.563 125.349 119.914 -0.213 0.000 2.270 204 V HA 0.204 4.325 4.120 0.001 0.000 0.263 204 V C 0.303 176.387 176.094 -0.016 0.000 1.066 204 V CA -0.532 61.706 62.300 -0.102 0.000 0.857 204 V CB 0.669 32.422 31.823 -0.118 0.000 1.099 204 V HN 0.441 nan 8.190 nan 0.000 0.476 205 I N 3.679 124.229 120.570 -0.033 0.000 2.556 205 I HA 0.214 4.384 4.170 0.001 0.000 0.284 205 I C 0.831 176.946 176.117 -0.003 0.000 1.114 205 I CA 1.004 62.284 61.300 -0.034 0.000 1.418 205 I CB 1.223 39.182 38.000 -0.068 0.000 1.394 205 I HN 0.519 nan 8.210 nan 0.000 0.552 206 T N 5.617 120.166 114.554 -0.009 0.000 2.833 206 T HA 0.333 4.684 4.350 0.001 0.000 0.297 206 T C -0.369 174.289 174.700 -0.071 0.000 1.015 206 T CA -0.663 61.429 62.100 -0.014 0.000 0.963 206 T CB 0.140 69.016 68.868 0.014 0.000 0.955 206 T HN 0.559 nan 8.240 nan 0.000 0.449 207 E N 5.100 125.250 120.200 -0.084 0.000 2.360 207 E HA 0.419 4.770 4.350 0.001 0.000 0.269 207 E C -2.126 174.368 176.600 -0.176 0.000 1.022 207 E CA -1.214 55.096 56.400 -0.149 0.000 0.887 207 E CB 0.675 30.309 29.700 -0.109 0.000 0.990 207 E HN 0.424 nan 8.360 nan 0.000 0.426 208 P HA 0.243 nan 4.420 nan 0.000 0.293 208 P C -1.370 175.823 177.300 -0.178 0.000 1.291 208 P CA -0.688 62.252 63.100 -0.266 0.000 0.867 208 P CB 1.253 32.667 31.700 -0.476 0.000 1.074 209 V N 1.244 121.116 119.914 -0.071 0.000 2.407 209 V HA 0.539 4.659 4.120 0.001 0.000 0.278 209 V C 1.470 177.586 176.094 0.036 0.000 1.037 209 V CA 0.512 62.802 62.300 -0.017 0.000 0.900 209 V CB -0.046 31.772 31.823 -0.008 0.000 0.983 209 V HN 1.030 nan 8.190 nan 0.000 0.459 210 G N 5.070 113.912 108.800 0.071 0.000 3.581 210 G HA2 -0.290 3.670 3.960 0.001 0.000 0.336 210 G HA3 -0.290 3.670 3.960 0.001 0.000 0.336 210 G C 0.388 175.395 174.900 0.178 0.000 1.259 210 G CA 0.774 45.934 45.100 0.101 0.000 1.001 210 G HN 1.019 nan 8.290 nan 0.000 0.662 211 S N -2.385 113.398 115.700 0.137 0.000 2.688 211 S HA 0.827 5.298 4.470 0.001 0.000 0.275 211 S C -0.425 174.240 174.600 0.108 0.000 1.175 211 S CA 0.610 58.898 58.200 0.146 0.000 0.818 211 S CB 1.735 64.968 63.200 0.055 0.000 1.157 211 S HN 2.093 nan 8.310 nan 0.000 0.482 212 V N 0.246 120.212 119.914 0.088 0.000 3.295 212 V HA 0.779 4.900 4.120 0.001 0.000 0.313 212 V C -2.180 173.929 176.094 0.024 0.000 1.742 212 V CA -0.479 61.853 62.300 0.053 0.000 0.950 212 V CB 1.726 33.588 31.823 0.065 0.000 0.975 212 V HN 1.027 nan 8.190 nan 0.000 0.486 213 R N 0.480 120.986 120.500 0.010 0.000 2.728 213 R HA 0.553 4.894 4.340 0.001 0.000 0.259 213 R C -3.240 173.040 176.300 -0.033 0.000 1.057 213 R CA -1.002 55.086 56.100 -0.019 0.000 0.908 213 R CB 2.609 32.900 30.300 -0.015 0.000 1.259 213 R HN 0.582 nan 8.270 nan 0.000 0.472 214 P HA 0.472 nan 4.420 nan 0.000 0.300 214 P C -1.650 175.622 177.300 -0.047 0.000 1.326 214 P CA -0.643 62.421 63.100 -0.061 0.000 0.844 214 P CB 1.736 33.361 31.700 -0.125 0.000 0.992 215 K N 1.375 121.760 120.400 -0.025 0.000 2.533 215 K HA 0.707 5.028 4.320 0.001 0.000 0.284 215 K C -1.750 174.850 176.600 -0.000 0.000 1.025 215 K CA -0.835 55.442 56.287 -0.017 0.000 0.900 215 K CB 1.814 34.307 32.500 -0.011 0.000 1.519 215 K HN 0.112 nan 8.250 nan 0.000 0.432 216 V N 1.984 121.901 119.914 0.005 0.000 2.841 216 V HA 0.401 4.522 4.120 0.001 0.000 0.310 216 V C -1.107 175.004 176.094 0.029 0.000 1.090 216 V CA -1.194 61.117 62.300 0.018 0.000 0.930 216 V CB 2.086 33.915 31.823 0.010 0.000 1.014 216 V HN 0.758 nan 8.190 nan 0.000 0.425 217 N N 4.414 123.136 118.700 0.037 0.000 2.520 217 N HA 0.263 5.004 4.740 0.001 0.000 0.273 217 N C -1.883 173.662 175.510 0.059 0.000 1.155 217 N CA -1.693 51.383 53.050 0.043 0.000 0.967 217 N CB 1.281 39.794 38.487 0.043 0.000 1.092 217 N HN 0.295 nan 8.380 nan 0.000 0.457 218 P HA -0.209 nan 4.420 nan 0.000 0.217 218 P C 1.190 178.558 177.300 0.113 0.000 1.151 218 P CA 1.563 64.716 63.100 0.088 0.000 0.849 218 P CB 0.221 31.961 31.700 0.067 0.000 0.787 219 Q N -1.383 118.473 119.800 0.092 0.000 2.466 219 Q HA -0.049 4.292 4.340 0.001 0.000 0.210 219 Q C 0.262 176.326 176.000 0.107 0.000 0.961 219 Q CA 1.162 57.027 55.803 0.103 0.000 0.953 219 Q CB -0.592 28.194 28.738 0.080 0.000 1.011 219 Q HN 0.289 nan 8.270 nan 0.000 0.516 220 D N 0.415 120.871 120.400 0.094 0.000 2.474 220 D HA 0.098 4.739 4.640 0.001 0.000 0.213 220 D C 0.972 177.307 176.300 0.058 0.000 1.120 220 D CA -0.003 54.044 54.000 0.078 0.000 0.836 220 D CB 0.461 41.298 40.800 0.063 0.000 1.019 220 D HN 0.210 nan 8.370 nan 0.000 0.507 221 K N -0.003 120.443 120.400 0.076 0.000 2.418 221 K HA 0.013 4.333 4.320 0.001 0.000 0.195 221 K C -0.319 176.186 176.600 -0.157 0.000 1.035 221 K CA 0.589 56.877 56.287 0.002 0.000 1.003 221 K CB 0.277 32.832 32.500 0.092 0.000 0.793 221 K HN 0.043 nan 8.250 nan 0.000 0.494 222 H N -0.154 118.938 119.070 0.036 0.000 3.162 222 H HA 0.230 4.787 4.556 0.001 0.000 0.309 222 H C -1.420 173.887 175.328 -0.036 0.000 1.156 222 H CA -0.524 55.520 56.048 -0.006 0.000 1.586 222 H CB 1.032 30.847 29.762 0.088 0.000 1.740 222 H HN -0.032 nan 8.280 nan 0.000 0.525 223 Q N 2.000 121.727 119.800 -0.122 0.000 2.266 223 Q HA 0.585 4.925 4.340 0.001 0.000 0.261 223 Q C -0.973 174.801 176.000 -0.377 0.000 0.985 223 Q CA -0.796 54.976 55.803 -0.052 0.000 0.873 223 Q CB 2.288 31.049 28.738 0.038 0.000 1.306 223 Q HN 0.384 nan 8.270 nan 0.000 0.447 224 F N 1.393 121.396 119.950 0.088 0.000 2.540 224 F HA 0.625 5.152 4.527 0.001 0.000 0.317 224 F C -0.391 175.430 175.800 0.035 0.000 1.104 224 F CA -0.712 57.328 58.000 0.066 0.000 0.913 224 F CB 1.374 40.406 39.000 0.053 0.000 1.170 224 F HN 0.264 nan 8.300 nan 0.000 0.450 225 I N 2.379 123.034 120.570 0.141 0.000 2.607 225 I HA 0.329 4.499 4.170 0.001 0.000 0.290 225 I C -1.615 174.494 176.117 -0.014 0.000 1.129 225 I CA -0.585 60.741 61.300 0.043 0.000 1.042 225 I CB 2.357 40.349 38.000 -0.013 0.000 1.242 225 I HN 0.468 nan 8.210 nan 0.000 0.421 226 D N 5.057 125.435 120.400 -0.037 0.000 2.505 226 D HA 0.659 5.299 4.640 0.001 0.000 0.249 226 D C -0.916 175.315 176.300 -0.114 0.000 1.082 226 D CA -0.111 53.846 54.000 -0.071 0.000 0.839 226 D CB 2.512 43.291 40.800 -0.035 0.000 1.317 226 D HN 0.307 nan 8.370 nan 0.000 0.497 227 V N -1.061 118.752 119.914 -0.169 0.000 3.159 227 V HA 0.682 4.802 4.120 0.001 0.000 0.308 227 V C -0.760 175.267 176.094 -0.111 0.000 1.190 227 V CA -0.902 61.309 62.300 -0.148 0.000 1.037 227 V CB 2.164 33.852 31.823 -0.224 0.000 1.060 227 V HN 0.403 nan 8.190 nan 0.000 0.437 228 E N 1.610 121.772 120.200 -0.064 0.000 2.250 228 E HA 0.530 4.880 4.350 0.001 0.000 0.269 228 E C -0.433 176.152 176.600 -0.026 0.000 1.018 228 E CA -0.920 55.453 56.400 -0.046 0.000 0.873 228 E CB 2.278 31.956 29.700 -0.035 0.000 1.134 228 E HN 0.813 nan 8.360 nan 0.000 0.403 229 L N 1.383 122.593 121.223 -0.021 0.000 2.529 229 L HA -0.020 4.320 4.340 0.001 0.000 0.287 229 L C 0.767 177.643 176.870 0.010 0.000 1.241 229 L CA 1.067 55.905 54.840 -0.003 0.000 0.857 229 L CB 0.165 42.220 42.059 -0.007 0.000 1.113 229 L HN 0.900 nan 8.230 nan 0.000 0.504 230 A N 1.750 124.584 122.820 0.024 0.000 3.420 230 A HA -0.261 4.060 4.320 0.001 0.000 0.269 230 A C 0.747 178.345 177.584 0.024 0.000 1.122 230 A CA 1.445 53.495 52.037 0.020 0.000 1.023 230 A CB -2.689 16.316 19.000 0.008 0.000 1.099 230 A HN 1.257 nan 8.150 nan 0.000 0.860 231 S N -0.671 115.052 115.700 0.040 0.000 2.693 231 S HA 0.785 5.256 4.470 0.001 0.000 0.276 231 S C 0.116 174.772 174.600 0.093 0.000 1.192 231 S CA 0.303 58.530 58.200 0.045 0.000 0.994 231 S CB 1.677 64.897 63.200 0.033 0.000 1.012 231 S HN 1.018 nan 8.310 nan 0.000 0.550 232 S N 1.079 116.817 115.700 0.063 0.000 2.549 232 S HA 0.796 5.267 4.470 0.001 0.000 0.297 232 S C -1.065 173.588 174.600 0.087 0.000 1.115 232 S CA -0.586 57.623 58.200 0.015 0.000 1.059 232 S CB 0.737 63.899 63.200 -0.064 0.000 1.046 232 S HN 0.856 nan 8.310 nan 0.000 0.506 233 Y N -1.136 119.111 120.300 -0.089 0.000 2.905 233 Y HA 0.832 5.382 4.550 0.001 0.000 0.322 233 Y C -0.796 175.019 175.900 -0.140 0.000 1.455 233 Y CA -1.221 56.819 58.100 -0.099 0.000 1.083 233 Y CB 0.685 39.085 38.460 -0.100 0.000 1.473 233 Y HN 0.672 nan 8.280 nan 0.000 0.449 234 S N 0.797 116.509 115.700 0.020 0.000 2.537 234 S HA 0.735 5.205 4.470 0.001 0.000 0.271 234 S C -2.038 172.533 174.600 -0.048 0.000 1.148 234 S CA -0.928 57.176 58.200 -0.160 0.000 0.868 234 S CB 1.371 64.469 63.200 -0.170 0.000 1.115 234 S HN 0.883 nan 8.310 nan 0.000 0.461 235 L N 2.084 123.165 121.223 -0.237 0.000 2.317 235 L HA 0.640 4.980 4.340 0.001 0.000 0.281 235 L C -1.069 175.788 176.870 -0.021 0.000 1.024 235 L CA -0.940 53.767 54.840 -0.221 0.000 0.810 235 L CB 1.413 43.042 42.059 -0.716 0.000 1.240 235 L HN 0.580 nan 8.230 nan 0.000 0.427 236 L N 2.107 123.474 121.223 0.240 0.000 2.330 236 L HA 0.521 4.861 4.340 0.001 0.000 0.271 236 L C -0.469 176.656 176.870 0.425 0.000 1.013 236 L CA -0.174 54.844 54.840 0.296 0.000 0.816 236 L CB 1.938 44.096 42.059 0.166 0.000 1.287 236 L HN 0.634 nan 8.230 nan 0.000 0.435 237 c N 3.425 122.206 118.600 0.302 0.000 3.233 237 c HA 0.474 5.045 4.570 0.001 0.000 0.299 237 c C -0.179 174.020 174.090 0.181 0.000 1.060 237 c CA -0.779 55.656 56.329 0.177 0.000 1.382 237 c CB -0.320 42.259 42.510 0.115 0.000 1.828 237 c HN 0.805 nan 8.230 nan 0.000 0.530 238 M N 4.560 124.237 119.600 0.128 0.000 3.011 238 M HA 0.501 4.982 4.480 0.001 0.000 0.292 238 M C 0.291 176.665 176.300 0.123 0.000 1.440 238 M CA 0.563 55.928 55.300 0.109 0.000 1.552 238 M CB -0.112 32.530 32.600 0.070 0.000 1.187 238 M HN 0.811 nan 8.290 nan 0.000 0.520 239 A N 3.588 126.538 122.820 0.218 0.000 2.414 239 A HA 0.774 5.095 4.320 0.001 0.000 0.306 239 A C -0.814 176.862 177.584 0.153 0.000 1.054 239 A CA -0.736 51.389 52.037 0.147 0.000 0.724 239 A CB 1.429 20.468 19.000 0.065 0.000 1.267 239 A HN 0.647 nan 8.150 nan 0.000 0.418 240 Q N -0.001 119.841 119.800 0.071 0.000 2.418 240 Q HA 0.821 5.162 4.340 0.001 0.000 0.276 240 Q C -0.822 175.198 176.000 0.032 0.000 1.081 240 Q CA -0.810 55.035 55.803 0.070 0.000 0.864 240 Q CB 2.185 30.957 28.738 0.057 0.000 1.384 240 Q HN 1.102 nan 8.270 nan 0.000 0.467 241 S N 0.234 115.967 115.700 0.056 0.000 2.804 241 S HA 0.188 4.659 4.470 0.001 0.000 0.296 241 S C -2.444 172.227 174.600 0.118 0.000 0.865 241 S CA -0.682 57.546 58.200 0.047 0.000 0.809 241 S CB 0.187 63.366 63.200 -0.034 0.000 1.011 241 S HN 0.585 nan 8.310 nan 0.000 0.495 242 Y N 4.555 124.842 120.300 -0.022 0.000 2.341 242 Y HA 0.648 5.199 4.550 0.001 0.000 0.338 242 Y C -2.526 173.361 175.900 -0.022 0.000 0.965 242 Y CA -1.614 56.476 58.100 -0.017 0.000 1.108 242 Y CB 2.034 40.487 38.460 -0.011 0.000 1.180 242 Y HN 0.530 nan 8.280 nan 0.000 0.458 243 P HA 0.012 nan 4.420 nan 0.000 0.272 243 P C -0.561 176.579 177.300 -0.267 0.000 1.254 243 P CA -0.119 62.554 63.100 -0.711 0.000 0.795 243 P CB 0.476 31.873 31.700 -0.507 0.000 1.022 244 T N 2.309 116.749 114.554 -0.190 0.000 2.870 244 T HA 0.211 4.562 4.350 0.001 0.000 0.300 244 T C -1.989 172.671 174.700 -0.066 0.000 0.989 244 T CA -1.251 60.825 62.100 -0.040 0.000 1.139 244 T CB -0.489 68.398 68.868 0.033 0.000 0.920 244 T HN 0.262 nan 8.240 nan 0.000 0.537 245 P HA 0.189 nan 4.420 nan 0.000 0.272 245 P C -1.001 176.152 177.300 -0.245 0.000 1.240 245 P CA -0.480 62.459 63.100 -0.268 0.000 0.791 245 P CB 0.480 31.859 31.700 -0.535 0.000 0.978 246 S N 0.105 115.623 115.700 -0.304 0.000 2.449 246 S HA 0.617 5.088 4.470 0.001 0.000 0.310 246 S C -0.777 173.665 174.600 -0.264 0.000 1.096 246 S CA -0.713 57.409 58.200 -0.129 0.000 1.095 246 S CB 0.124 63.286 63.200 -0.063 0.000 1.007 246 S HN 0.208 nan 8.310 nan 0.000 0.474 247 F N 1.845 121.780 119.950 -0.026 0.000 2.420 247 F HA 0.561 5.089 4.527 0.001 0.000 0.342 247 F C 1.046 176.811 175.800 -0.057 0.000 1.113 247 F CA -0.897 57.062 58.000 -0.067 0.000 1.059 247 F CB 1.638 40.616 39.000 -0.037 0.000 1.128 247 F HN 0.400 nan 8.300 nan 0.000 0.475 248 R N 2.980 123.498 120.500 0.030 0.000 2.422 248 R HA 0.210 4.551 4.340 0.001 0.000 0.307 248 R C -1.777 174.536 176.300 0.023 0.000 1.004 248 R CA -0.727 55.399 56.100 0.043 0.000 0.882 248 R CB 1.248 31.630 30.300 0.136 0.000 1.164 248 R HN 0.668 nan 8.270 nan 0.000 0.489 249 W N 3.260 124.550 121.300 -0.017 0.000 2.311 249 W HA 0.266 4.927 4.660 0.001 0.000 0.310 249 W C -0.190 176.255 176.519 -0.122 0.000 1.274 249 W CA 0.082 57.443 57.345 0.026 0.000 1.215 249 W CB 0.596 30.066 29.460 0.016 0.000 1.227 249 W HN 0.441 nan 8.180 nan 0.000 0.523 250 Y N 2.078 122.482 120.300 0.174 0.000 2.462 250 Y HA 0.337 4.887 4.550 0.001 0.000 0.346 250 Y C 0.104 175.976 175.900 -0.046 0.000 0.976 250 Y CA -1.619 56.484 58.100 0.005 0.000 1.044 250 Y CB 1.812 40.157 38.460 -0.191 0.000 1.230 250 Y HN 0.199 nan 8.280 nan 0.000 0.455 251 K N 2.124 122.538 120.400 0.022 0.000 2.143 251 K HA 0.453 4.773 4.320 0.001 0.000 0.272 251 K C -1.254 175.196 176.600 -0.250 0.000 1.001 251 K CA -0.451 55.663 56.287 -0.290 0.000 0.915 251 K CB 0.662 32.963 32.500 -0.331 0.000 1.047 251 K HN 0.477 nan 8.250 nan 0.000 0.458 252 F N 3.572 123.421 119.950 -0.168 0.000 2.406 252 F HA 0.232 4.760 4.527 0.001 0.000 0.327 252 F C 0.714 176.460 175.800 -0.090 0.000 1.153 252 F CA -0.662 57.282 58.000 -0.093 0.000 1.218 252 F CB 0.559 39.507 39.000 -0.086 0.000 1.215 252 F HN 0.280 nan 8.300 nan 0.000 0.570 253 I N 0.037 120.724 120.570 0.195 0.000 2.365 253 I HA 0.322 4.493 4.170 0.001 0.000 0.291 253 I C -0.108 176.046 176.117 0.062 0.000 1.004 253 I CA -0.875 60.477 61.300 0.087 0.000 1.311 253 I CB 1.007 39.047 38.000 0.068 0.000 1.401 253 I HN 0.541 nan 8.210 nan 0.000 0.491 254 E N 4.389 124.607 120.200 0.029 0.000 2.606 254 E HA 0.193 4.544 4.350 0.001 0.000 0.248 254 E C 1.093 177.689 176.600 -0.008 0.000 1.005 254 E CA 1.285 57.690 56.400 0.008 0.000 0.946 254 E CB 0.114 29.818 29.700 0.006 0.000 0.928 254 E HN 0.990 nan 8.360 nan 0.000 0.494 255 G N 3.206 111.985 108.800 -0.035 0.000 2.176 255 G HA2 -0.277 3.684 3.960 0.001 0.000 0.252 255 G HA3 -0.277 3.684 3.960 0.001 0.000 0.252 255 G C 0.180 175.049 174.900 -0.051 0.000 1.024 255 G CA 0.539 45.611 45.100 -0.047 0.000 0.755 255 G HN 0.822 nan 8.290 nan 0.000 0.507 256 T N -4.505 110.011 114.554 -0.062 0.000 2.887 256 T HA 0.700 5.050 4.350 0.001 0.000 0.292 256 T C 0.991 175.626 174.700 -0.107 0.000 1.087 256 T CA 0.667 62.738 62.100 -0.049 0.000 1.009 256 T CB 1.822 70.694 68.868 0.007 0.000 1.203 256 T HN 0.358 nan 8.240 nan 0.000 0.518 257 T N 0.301 114.816 114.554 -0.065 0.000 3.060 257 T HA 0.232 4.582 4.350 0.001 0.000 0.249 257 T C 0.818 175.584 174.700 0.110 0.000 1.079 257 T CA -0.221 61.838 62.100 -0.069 0.000 1.013 257 T CB -0.136 68.701 68.868 -0.052 0.000 0.975 257 T HN 0.561 nan 8.240 nan 0.000 0.518 258 R N 2.353 122.920 120.500 0.111 0.000 2.615 258 R HA 0.572 4.913 4.340 0.001 0.000 0.270 258 R C 0.377 176.832 176.300 0.258 0.000 1.081 258 R CA -0.443 55.740 56.100 0.138 0.000 1.154 258 R CB 0.559 30.906 30.300 0.078 0.000 1.063 258 R HN 0.313 nan 8.270 nan 0.000 0.519 259 K N 0.277 120.766 120.400 0.149 0.000 2.367 259 K HA 0.374 4.694 4.320 0.001 0.000 0.272 259 K C -1.446 175.194 176.600 0.066 0.000 1.046 259 K CA -1.018 55.306 56.287 0.062 0.000 0.895 259 K CB 2.029 34.373 32.500 -0.261 0.000 1.512 259 K HN 0.536 nan 8.250 nan 0.000 0.433 260 Q N 0.452 120.298 119.800 0.077 0.000 2.331 260 Q HA 0.435 4.776 4.340 0.001 0.000 0.249 260 Q C -1.642 174.417 176.000 0.099 0.000 0.913 260 Q CA -0.372 55.492 55.803 0.102 0.000 0.874 260 Q CB 2.260 31.025 28.738 0.046 0.000 1.384 260 Q HN 0.852 nan 8.270 nan 0.000 0.427 261 A N 2.378 125.221 122.820 0.039 0.000 2.565 261 A HA 0.214 4.534 4.320 0.001 0.000 0.237 261 A C -0.080 177.443 177.584 -0.100 0.000 1.053 261 A CA -0.051 51.828 52.037 -0.262 0.000 0.755 261 A CB 0.323 19.090 19.000 -0.389 0.000 0.980 261 A HN 0.551 nan 8.150 nan 0.000 0.506 262 V N 4.704 124.581 119.914 -0.063 0.000 2.446 262 V HA 0.102 4.223 4.120 0.001 0.000 0.276 262 V C 0.431 176.513 176.094 -0.020 0.000 1.030 262 V CA -0.086 62.234 62.300 0.032 0.000 1.033 262 V CB 0.520 32.423 31.823 0.133 0.000 0.993 262 V HN 0.593 nan 8.190 nan 0.000 0.477 263 V N 7.161 127.066 119.914 -0.016 0.000 2.686 263 V HA 0.286 4.407 4.120 0.001 0.000 0.295 263 V C 0.315 176.386 176.094 -0.040 0.000 1.055 263 V CA -0.460 61.822 62.300 -0.030 0.000 1.050 263 V CB 0.992 32.803 31.823 -0.021 0.000 0.984 263 V HN 0.559 nan 8.190 nan 0.000 0.482 264 L N 4.637 125.832 121.223 -0.046 0.000 2.343 264 L HA 0.609 4.949 4.340 0.001 0.000 0.275 264 L C 0.034 176.872 176.870 -0.054 0.000 1.056 264 L CA -0.325 54.478 54.840 -0.060 0.000 0.804 264 L CB 1.536 43.560 42.059 -0.059 0.000 1.203 264 L HN 1.033 nan 8.230 nan 0.000 0.440 265 N N -1.097 117.564 118.700 -0.065 0.000 3.575 265 N HA 0.165 4.906 4.740 0.001 0.000 0.343 265 N C -0.363 175.108 175.510 -0.064 0.000 1.574 265 N CA -0.691 52.326 53.050 -0.055 0.000 0.832 265 N CB 0.248 38.707 38.487 -0.045 0.000 2.151 265 N HN 0.262 nan 8.380 nan 0.000 0.552 266 D N -0.955 119.411 120.400 -0.055 0.000 2.269 266 D HA -0.006 4.634 4.640 0.001 0.000 0.208 266 D C 1.341 177.597 176.300 -0.073 0.000 0.963 266 D CA 0.894 54.860 54.000 -0.057 0.000 0.864 266 D CB 0.159 40.932 40.800 -0.044 0.000 0.936 266 D HN 0.442 nan 8.370 nan 0.000 0.505 267 R N -0.033 120.420 120.500 -0.078 0.000 2.087 267 R HA 0.125 4.466 4.340 0.001 0.000 0.216 267 R C 0.028 176.244 176.300 -0.141 0.000 1.114 267 R CA 0.378 56.420 56.100 -0.096 0.000 1.002 267 R CB 0.471 30.728 30.300 -0.071 0.000 0.903 267 R HN -0.107 nan 8.270 nan 0.000 0.445 268 V N 3.484 123.318 119.914 -0.133 0.000 2.311 268 V HA 0.266 4.386 4.120 0.001 0.000 0.275 268 V C -0.793 175.199 176.094 -0.169 0.000 1.022 268 V CA -0.374 61.822 62.300 -0.175 0.000 0.830 268 V CB 1.164 32.903 31.823 -0.140 0.000 1.012 268 V HN 0.199 nan 8.190 nan 0.000 0.452 269 K N 4.492 124.767 120.400 -0.207 0.000 2.318 269 K HA 0.638 4.958 4.320 0.001 0.000 0.249 269 K C -0.845 175.627 176.600 -0.214 0.000 0.942 269 K CA -0.803 55.377 56.287 -0.179 0.000 0.808 269 K CB 2.858 35.265 32.500 -0.156 0.000 1.189 269 K HN 0.605 nan 8.250 nan 0.000 0.428 270 Q N 1.954 121.657 119.800 -0.163 0.000 2.325 270 Q HA 0.301 4.641 4.340 0.001 0.000 0.270 270 Q C -1.516 174.403 176.000 -0.135 0.000 1.020 270 Q CA -0.702 55.008 55.803 -0.156 0.000 0.785 270 Q CB 1.720 30.417 28.738 -0.068 0.000 1.259 270 Q HN 0.397 nan 8.270 nan 0.000 0.452 271 V N 3.849 123.649 119.914 -0.190 0.000 2.288 271 V HA 0.220 4.341 4.120 0.001 0.000 0.266 271 V C -0.215 175.778 176.094 -0.168 0.000 1.048 271 V CA -0.512 61.682 62.300 -0.177 0.000 0.842 271 V CB 0.894 32.548 31.823 -0.282 0.000 1.064 271 V HN 0.827 nan 8.190 nan 0.000 0.472 272 S N 3.396 119.008 115.700 -0.146 0.000 2.552 272 S HA 0.205 4.676 4.470 0.001 0.000 0.289 272 S C 1.133 175.338 174.600 -0.659 0.000 1.304 272 S CA 0.239 58.244 58.200 -0.325 0.000 1.063 272 S CB 0.982 64.119 63.200 -0.105 0.000 0.848 272 S HN 0.953 nan 8.310 nan 0.000 0.499 273 G N 2.542 110.551 108.800 -1.319 0.000 4.125 273 G HA2 0.348 4.308 3.960 0.001 0.000 0.301 273 G HA3 0.348 4.308 3.960 0.001 0.000 0.301 273 G C -0.123 174.737 174.900 -0.067 0.000 1.273 273 G CA -0.424 44.013 45.100 -1.105 0.000 1.095 273 G HN 0.591 nan 8.290 nan 0.000 0.582 274 T N 1.127 115.649 114.554 -0.053 0.000 2.829 274 T HA 0.468 4.819 4.350 0.001 0.000 0.282 274 T C -0.449 174.142 174.700 -0.182 0.000 0.990 274 T CA -0.389 61.716 62.100 0.008 0.000 1.028 274 T CB 2.084 70.866 68.868 -0.143 0.000 0.951 274 T HN -0.071 nan 8.240 nan 0.000 0.460 275 L N 3.611 124.572 121.223 -0.436 0.000 2.334 275 L HA 0.576 4.916 4.340 0.001 0.000 0.277 275 L C -0.326 176.251 176.870 -0.488 0.000 1.075 275 L CA -0.171 54.281 54.840 -0.648 0.000 0.804 275 L CB 0.716 42.086 42.059 -1.148 0.000 1.174 275 L HN 0.581 nan 8.230 nan 0.000 0.438 276 I N 4.862 125.167 120.570 -0.442 0.000 2.512 276 I HA 0.476 4.647 4.170 0.001 0.000 0.287 276 I C -0.827 175.020 176.117 -0.450 0.000 1.069 276 I CA -0.281 60.769 61.300 -0.416 0.000 1.056 276 I CB 1.746 39.555 38.000 -0.318 0.000 1.229 276 I HN 0.342 nan 8.210 nan 0.000 0.429 277 I N 5.851 126.042 120.570 -0.632 0.000 2.582 277 I HA 0.418 4.589 4.170 0.001 0.000 0.292 277 I C -0.741 175.055 176.117 -0.536 0.000 1.066 277 I CA -0.756 60.160 61.300 -0.639 0.000 1.053 277 I CB 2.483 39.931 38.000 -0.919 0.000 1.241 277 I HN 0.578 nan 8.210 nan 0.000 0.421 278 K N 3.105 123.335 120.400 -0.284 0.000 2.238 278 K HA 0.643 4.963 4.320 0.001 0.000 0.239 278 K C -0.928 175.628 176.600 -0.073 0.000 0.987 278 K CA -0.799 55.395 56.287 -0.154 0.000 0.857 278 K CB 1.168 33.603 32.500 -0.108 0.000 1.154 278 K HN 0.444 nan 8.250 nan 0.000 0.439 279 D N -0.617 119.772 120.400 -0.018 0.000 2.947 279 D HA -0.156 4.485 4.640 0.001 0.000 0.224 279 D C -0.462 175.869 176.300 0.052 0.000 1.132 279 D CA 1.094 55.099 54.000 0.010 0.000 0.801 279 D CB -1.694 39.102 40.800 -0.007 0.000 1.097 279 D HN 0.821 nan 8.370 nan 0.000 0.431 280 A N 0.391 123.282 122.820 0.118 0.000 3.157 280 A HA 0.216 4.536 4.320 0.001 0.000 0.290 280 A C 1.160 178.797 177.584 0.088 0.000 1.945 280 A CA 0.762 52.921 52.037 0.203 0.000 1.315 280 A CB -0.441 18.701 19.000 0.237 0.000 0.895 280 A HN 0.692 nan 8.150 nan 0.000 0.588 281 V N 3.203 123.161 119.914 0.073 0.000 3.139 281 V HA 0.061 4.182 4.120 0.001 0.000 0.307 281 V C 1.407 177.521 176.094 0.034 0.000 1.095 281 V CA 0.829 63.154 62.300 0.042 0.000 1.160 281 V CB 0.975 32.822 31.823 0.040 0.000 1.003 281 V HN 0.636 nan 8.190 nan 0.000 0.489 282 V N 3.346 123.271 119.914 0.019 0.000 2.871 282 V HA -0.077 4.044 4.120 0.001 0.000 0.256 282 V C 2.278 178.384 176.094 0.021 0.000 1.082 282 V CA 1.848 64.154 62.300 0.009 0.000 1.105 282 V CB -1.309 30.512 31.823 -0.003 0.000 0.713 282 V HN 1.019 nan 8.190 nan 0.000 0.473 283 E N 0.539 120.758 120.200 0.031 0.000 2.204 283 E HA -0.227 4.124 4.350 0.001 0.000 0.195 283 E C 1.662 178.304 176.600 0.070 0.000 0.990 283 E CA 1.244 57.668 56.400 0.041 0.000 0.821 283 E CB -0.288 29.436 29.700 0.040 0.000 0.750 283 E HN 0.547 nan 8.360 nan 0.000 0.477 284 D N 1.244 121.696 120.400 0.087 0.000 2.228 284 D HA -0.074 4.567 4.640 0.001 0.000 0.203 284 D C 0.696 177.105 176.300 0.181 0.000 0.988 284 D CA 0.665 54.755 54.000 0.150 0.000 0.864 284 D CB -0.231 40.651 40.800 0.137 0.000 0.928 284 D HN -0.044 nan 8.370 nan 0.000 0.469 285 S N -0.668 115.089 115.700 0.094 0.000 2.572 285 S HA 0.397 4.868 4.470 0.001 0.000 0.262 285 S C 0.909 175.597 174.600 0.146 0.000 1.375 285 S CA 0.530 58.788 58.200 0.096 0.000 0.996 285 S CB 0.798 64.022 63.200 0.040 0.000 0.892 285 S HN 0.547 nan 8.310 nan 0.000 0.562 286 G N 0.635 109.524 108.800 0.147 0.000 2.316 286 G HA2 0.079 4.039 3.960 0.001 0.000 0.349 286 G HA3 0.079 4.039 3.960 0.001 0.000 0.349 286 G C -1.341 173.640 174.900 0.135 0.000 1.274 286 G CA -0.735 44.416 45.100 0.085 0.000 1.018 286 G HN 0.698 nan 8.290 nan 0.000 0.486 287 K N -0.352 120.059 120.400 0.018 0.000 2.207 287 K HA 0.724 5.044 4.320 0.001 0.000 0.255 287 K C -1.413 175.187 176.600 -0.000 0.000 0.941 287 K CA -0.769 55.611 56.287 0.156 0.000 0.825 287 K CB 1.329 33.956 32.500 0.212 0.000 1.119 287 K HN 0.511 nan 8.250 nan 0.000 0.430 288 Y N 2.182 122.626 120.300 0.241 0.000 2.499 288 Y HA 0.460 5.011 4.550 0.001 0.000 0.347 288 Y C -0.803 175.178 175.900 0.136 0.000 0.987 288 Y CA -1.197 57.032 58.100 0.215 0.000 1.044 288 Y CB 1.908 40.587 38.460 0.365 0.000 1.245 288 Y HN 0.389 nan 8.280 nan 0.000 0.461 289 L N 3.055 124.343 121.223 0.108 0.000 2.385 289 L HA 0.668 5.008 4.340 0.001 0.000 0.273 289 L C -1.228 175.529 176.870 -0.188 0.000 0.990 289 L CA -0.977 53.818 54.840 -0.076 0.000 0.821 289 L CB 1.414 43.315 42.059 -0.264 0.000 1.279 289 L HN 0.840 nan 8.230 nan 0.000 0.412 290 c N 5.726 124.039 118.600 -0.477 0.000 2.295 290 c HA 0.836 5.407 4.570 0.001 0.000 0.331 290 c C -0.503 173.367 174.090 -0.367 0.000 1.280 290 c CA -0.426 55.444 56.329 -0.766 0.000 1.746 290 c CB 0.360 42.142 42.510 -1.215 0.000 2.328 290 c HN 0.625 nan 8.230 nan 0.000 0.521 291 V N 7.370 127.151 119.914 -0.222 0.000 2.350 291 V HA 0.526 4.646 4.120 0.001 0.000 0.285 291 V C 0.031 176.027 176.094 -0.163 0.000 1.014 291 V CA -0.328 61.884 62.300 -0.146 0.000 0.831 291 V CB 1.166 32.949 31.823 -0.068 0.000 1.000 291 V HN 0.835 nan 8.190 nan 0.000 0.433 292 V N 5.280 125.060 119.914 -0.224 0.000 2.555 292 V HA 0.727 4.848 4.120 0.001 0.000 0.302 292 V C -0.649 175.286 176.094 -0.264 0.000 1.038 292 V CA -0.267 61.825 62.300 -0.346 0.000 0.887 292 V CB 2.061 33.562 31.823 -0.537 0.000 0.991 292 V HN 1.008 nan 8.190 nan 0.000 0.434 293 N N 4.750 123.288 118.700 -0.270 0.000 2.369 293 N HA 0.573 5.314 4.740 0.001 0.000 0.287 293 N C -1.712 173.699 175.510 -0.165 0.000 1.067 293 N CA -0.760 52.185 53.050 -0.175 0.000 0.888 293 N CB 1.733 40.147 38.487 -0.122 0.000 1.616 293 N HN 0.987 nan 8.380 nan 0.000 0.482 294 N N -1.049 117.573 118.700 -0.130 0.000 2.902 294 N HA 0.218 4.959 4.740 0.001 0.000 0.268 294 N C 0.317 175.776 175.510 -0.084 0.000 1.450 294 N CA -0.682 52.301 53.050 -0.111 0.000 0.819 294 N CB 0.702 39.117 38.487 -0.121 0.000 1.540 294 N HN 0.359 nan 8.380 nan 0.000 0.545 295 S N -1.159 114.494 115.700 -0.079 0.000 2.493 295 S HA -0.088 4.383 4.470 0.001 0.000 0.243 295 S C 1.312 175.882 174.600 -0.050 0.000 0.991 295 S CA 1.128 59.291 58.200 -0.061 0.000 0.957 295 S CB -0.507 62.656 63.200 -0.061 0.000 0.756 295 S HN 0.364 nan 8.310 nan 0.000 0.521 296 V N 0.210 120.093 119.914 -0.052 0.000 3.263 296 V HA 0.496 4.617 4.120 0.001 0.000 0.248 296 V C 1.223 177.293 176.094 -0.039 0.000 1.145 296 V CA 0.856 63.133 62.300 -0.038 0.000 1.107 296 V CB 0.197 32.003 31.823 -0.027 0.000 0.797 296 V HN 0.779 nan 8.190 nan 0.000 0.467 297 G N -1.608 107.161 108.800 -0.052 0.000 2.441 297 G HA2 0.569 4.530 3.960 0.001 0.000 0.294 297 G HA3 0.569 4.530 3.960 0.001 0.000 0.294 297 G C -0.852 174.004 174.900 -0.073 0.000 1.393 297 G CA 0.086 45.154 45.100 -0.054 0.000 0.796 297 G HN 0.402 nan 8.290 nan 0.000 0.494 298 G N -1.598 107.158 108.800 -0.073 0.000 3.015 298 G HA2 0.828 4.788 3.960 0.001 0.000 0.281 298 G HA3 0.828 4.788 3.960 0.001 0.000 0.281 298 G C -1.241 173.605 174.900 -0.091 0.000 1.386 298 G CA 0.011 45.056 45.100 -0.093 0.000 0.959 298 G HN 0.956 nan 8.290 nan 0.000 0.522 299 E N -1.895 118.241 120.200 -0.107 0.000 2.401 299 E HA 0.517 4.868 4.350 0.001 0.000 0.276 299 E C -1.036 175.490 176.600 -0.123 0.000 1.184 299 E CA 0.024 56.364 56.400 -0.100 0.000 0.902 299 E CB 1.069 30.712 29.700 -0.095 0.000 1.356 299 E HN 1.249 nan 8.360 nan 0.000 0.420 300 S N -0.026 115.603 115.700 -0.118 0.000 2.565 300 S HA 0.751 5.221 4.470 0.001 0.000 0.269 300 S C -1.581 172.922 174.600 -0.162 0.000 1.153 300 S CA -0.151 57.959 58.200 -0.149 0.000 0.835 300 S CB 1.207 64.327 63.200 -0.133 0.000 1.122 300 S HN 1.555 nan 8.310 nan 0.000 0.462 301 V N 0.544 120.334 119.914 -0.207 0.000 2.567 301 V HA 0.639 4.760 4.120 0.001 0.000 0.298 301 V C -0.675 175.295 176.094 -0.208 0.000 1.047 301 V CA -0.459 61.709 62.300 -0.220 0.000 0.880 301 V CB 1.336 33.063 31.823 -0.158 0.000 1.009 301 V HN 1.024 nan 8.190 nan 0.000 0.429 302 E N 3.537 123.582 120.200 -0.257 0.000 2.374 302 E HA 0.648 4.999 4.350 0.001 0.000 0.260 302 E C -0.483 176.057 176.600 -0.101 0.000 1.101 302 E CA -0.279 56.051 56.400 -0.116 0.000 0.907 302 E CB 1.545 31.184 29.700 -0.101 0.000 1.014 302 E HN 0.889 nan 8.360 nan 0.000 0.427 303 T N -0.422 114.150 114.554 0.030 0.000 2.982 303 T HA 0.317 4.668 4.350 0.001 0.000 0.321 303 T C -0.813 173.929 174.700 0.069 0.000 1.229 303 T CA -0.763 61.350 62.100 0.023 0.000 1.044 303 T CB 1.372 70.371 68.868 0.217 0.000 1.184 303 T HN 0.159 nan 8.240 nan 0.000 0.477 304 V N 3.162 123.029 119.914 -0.078 0.000 2.350 304 V HA 0.477 4.598 4.120 0.001 0.000 0.285 304 V C -0.693 175.457 176.094 0.093 0.000 1.014 304 V CA -0.780 61.540 62.300 0.033 0.000 0.831 304 V CB 1.287 33.091 31.823 -0.032 0.000 1.000 304 V HN 0.772 nan 8.190 nan 0.000 0.433 305 L N 5.710 127.031 121.223 0.162 0.000 2.264 305 L HA 0.663 5.004 4.340 0.001 0.000 0.289 305 L C 0.453 177.350 176.870 0.045 0.000 1.044 305 L CA 0.633 55.511 54.840 0.063 0.000 0.807 305 L CB 1.465 43.580 42.059 0.094 0.000 1.192 305 L HN 0.738 nan 8.230 nan 0.000 0.425 306 T N 3.712 118.256 114.554 -0.017 0.000 3.327 306 T HA 0.323 4.674 4.350 0.001 0.000 0.373 306 T C -0.034 174.624 174.700 -0.070 0.000 1.589 306 T CA -0.493 61.598 62.100 -0.014 0.000 1.497 306 T CB 0.268 69.145 68.868 0.016 0.000 1.032 306 T HN 0.267 nan 8.240 nan 0.000 0.640 307 V N 4.023 123.882 119.914 -0.093 0.000 2.673 307 V HA 0.345 4.466 4.120 0.001 0.000 0.303 307 V C 1.116 177.171 176.094 -0.065 0.000 1.046 307 V CA 0.200 62.433 62.300 -0.111 0.000 1.126 307 V CB 0.682 32.445 31.823 -0.101 0.000 0.934 307 V HN 0.991 nan 8.190 nan 0.000 0.487 308 T N 2.821 117.337 114.554 -0.064 0.000 2.912 308 T HA 0.887 5.238 4.350 0.001 0.000 0.288 308 T C -0.415 174.260 174.700 -0.042 0.000 1.030 308 T CA -0.278 61.793 62.100 -0.049 0.000 1.020 308 T CB 2.107 70.946 68.868 -0.048 0.000 1.056 308 T HN 0.997 nan 8.240 nan 0.000 0.480 309 A N 1.846 124.643 122.820 -0.039 0.000 2.435 309 A HA 0.897 5.218 4.320 0.001 0.000 0.296 309 A C -2.914 174.650 177.584 -0.034 0.000 1.147 309 A CA -2.143 49.874 52.037 -0.034 0.000 0.775 309 A CB 0.848 19.829 19.000 -0.033 0.000 1.340 309 A HN 0.678 nan 8.150 nan 0.000 0.427 310 P HA 0.308 nan 4.420 nan 0.000 0.274 310 P C -0.013 177.269 177.300 -0.030 0.000 1.504 310 P CA -0.228 62.855 63.100 -0.029 0.000 1.011 310 P CB 0.047 31.733 31.700 -0.023 0.000 1.366 311 L N 0.402 121.603 121.223 -0.037 0.000 2.474 311 L HA 0.610 4.951 4.340 0.001 0.000 0.259 311 L C -0.261 176.588 176.870 -0.036 0.000 1.232 311 L CA 0.117 54.934 54.840 -0.039 0.000 0.821 311 L CB 0.256 42.287 42.059 -0.048 0.000 1.108 311 L HN 0.133 nan 8.230 nan 0.000 0.495 312 S N -0.386 115.299 115.700 -0.025 0.000 2.570 312 S HA 0.843 5.314 4.470 0.001 0.000 0.270 312 S C -1.092 173.489 174.600 -0.032 0.000 1.149 312 S CA -0.302 57.879 58.200 -0.031 0.000 0.837 312 S CB 1.830 65.025 63.200 -0.010 0.000 1.124 312 S HN 1.087 nan 8.310 nan 0.000 0.465 313 A N 1.810 124.585 122.820 -0.075 0.000 2.398 313 A HA 0.839 5.159 4.320 0.001 0.000 0.301 313 A C -1.444 176.079 177.584 -0.102 0.000 1.041 313 A CA -0.875 51.104 52.037 -0.097 0.000 0.711 313 A CB 1.058 19.953 19.000 -0.174 0.000 1.240 313 A HN 0.677 nan 8.150 nan 0.000 0.420 314 K N 3.003 123.351 120.400 -0.087 0.000 2.550 314 K HA 0.586 4.907 4.320 0.001 0.000 0.252 314 K C -0.917 175.635 176.600 -0.079 0.000 0.943 314 K CA -0.504 55.736 56.287 -0.077 0.000 0.806 314 K CB 2.050 34.520 32.500 -0.051 0.000 1.289 314 K HN 0.625 nan 8.250 nan 0.000 0.435 315 I N 0.150 120.669 120.570 -0.085 0.000 3.110 315 I HA 0.327 4.498 4.170 0.001 0.000 0.314 315 I C -0.333 175.759 176.117 -0.042 0.000 1.020 315 I CA -0.483 60.772 61.300 -0.076 0.000 1.169 315 I CB 0.783 38.675 38.000 -0.179 0.000 1.437 315 I HN 0.621 nan 8.210 nan 0.000 0.595 316 D N 3.106 123.509 120.400 0.004 0.000 2.346 316 D HA 0.430 5.071 4.640 0.001 0.000 0.255 316 D C -2.731 173.647 176.300 0.130 0.000 1.276 316 D CA -1.535 52.493 54.000 0.046 0.000 0.941 316 D CB 1.547 42.367 40.800 0.034 0.000 1.199 316 D HN 0.114 nan 8.370 nan 0.000 0.537 317 P HA 0.442 nan 4.420 nan 0.000 0.286 317 P C -2.105 175.225 177.300 0.050 0.000 1.292 317 P CA -1.428 61.715 63.100 0.070 0.000 0.842 317 P CB 1.040 32.780 31.700 0.067 0.000 1.207 318 P HA -0.017 nan 4.420 nan 0.000 0.233 318 P C -0.156 177.164 177.300 0.034 0.000 1.167 318 P CA 1.215 64.313 63.100 -0.003 0.000 0.770 318 P CB 0.033 31.729 31.700 -0.007 0.000 0.837 319 T N -3.038 111.551 114.554 0.059 0.000 3.109 319 T HA 0.367 4.717 4.350 0.001 0.000 0.311 319 T C -1.256 173.487 174.700 0.072 0.000 1.011 319 T CA -0.686 61.449 62.100 0.058 0.000 1.026 319 T CB 1.807 70.672 68.868 -0.004 0.000 1.047 319 T HN -0.089 nan 8.240 nan 0.000 0.448 320 Q N 2.671 122.526 119.800 0.092 0.000 2.303 320 Q HA 0.418 4.759 4.340 0.001 0.000 0.267 320 Q C -0.814 175.166 176.000 -0.033 0.000 1.011 320 Q CA -0.507 55.310 55.803 0.024 0.000 0.740 320 Q CB 1.839 30.583 28.738 0.010 0.000 1.250 320 Q HN 0.884 nan 8.270 nan 0.000 0.458 321 T N 2.858 117.388 114.554 -0.040 0.000 2.761 321 T HA 0.404 4.755 4.350 0.001 0.000 0.296 321 T C 0.442 175.102 174.700 -0.066 0.000 0.934 321 T CA -0.409 61.660 62.100 -0.052 0.000 1.091 321 T CB 0.031 68.876 68.868 -0.038 0.000 0.896 321 T HN 0.401 nan 8.240 nan 0.000 0.515 322 V N 3.308 123.165 119.914 -0.094 0.000 3.871 322 V HA 0.665 4.786 4.120 0.001 0.000 0.274 322 V C 0.038 176.091 176.094 -0.067 0.000 1.104 322 V CA -0.678 61.558 62.300 -0.107 0.000 0.852 322 V CB 0.572 32.292 31.823 -0.170 0.000 1.222 322 V HN 0.860 nan 8.190 nan 0.000 0.420 323 D N -1.487 118.874 120.400 -0.066 0.000 2.857 323 D HA 0.291 4.932 4.640 0.001 0.000 0.227 323 D C -1.196 175.111 176.300 0.011 0.000 1.192 323 D CA -0.327 53.673 54.000 -0.000 0.000 0.857 323 D CB 2.334 43.138 40.800 0.006 0.000 1.645 323 D HN 0.445 nan 8.370 nan 0.000 0.482 324 F N 1.523 121.456 119.950 -0.029 0.000 2.624 324 F HA 0.283 4.810 4.527 0.001 0.000 0.352 324 F C 1.267 177.047 175.800 -0.033 0.000 1.275 324 F CA 0.891 58.875 58.000 -0.027 0.000 1.220 324 F CB -0.383 38.607 39.000 -0.016 0.000 1.674 324 F HN 0.697 nan 8.300 nan 0.000 0.683 325 G N 2.274 111.089 108.800 0.026 0.000 2.321 325 G HA2 -0.114 3.847 3.960 0.001 0.000 0.177 325 G HA3 -0.114 3.847 3.960 0.001 0.000 0.177 325 G C -0.036 174.846 174.900 -0.030 0.000 1.072 325 G CA -0.954 44.159 45.100 0.023 0.000 0.768 325 G HN 0.351 nan 8.290 nan 0.000 0.481 326 R N -0.128 120.324 120.500 -0.081 0.000 2.719 326 R HA 0.626 4.966 4.340 0.001 0.000 0.233 326 R C -1.822 174.405 176.300 -0.123 0.000 1.257 326 R CA -1.405 54.642 56.100 -0.089 0.000 1.109 326 R CB 0.725 30.967 30.300 -0.096 0.000 1.447 326 R HN 0.214 nan 8.270 nan 0.000 0.537 327 P HA 0.146 nan 4.420 nan 0.000 0.306 327 P C -1.168 175.997 177.300 -0.225 0.000 1.301 327 P CA -0.129 62.883 63.100 -0.146 0.000 0.744 327 P CB 0.418 32.051 31.700 -0.111 0.000 1.400 328 A N -0.651 122.021 122.820 -0.246 0.000 2.686 328 A HA 0.372 4.693 4.320 0.001 0.000 0.299 328 A C -0.941 176.480 177.584 -0.271 0.000 1.151 328 A CA -0.495 51.307 52.037 -0.391 0.000 0.851 328 A CB 0.091 18.779 19.000 -0.520 0.000 1.448 328 A HN 0.126 nan 8.150 nan 0.000 0.404 329 V N 3.010 122.816 119.914 -0.180 0.000 2.326 329 V HA 0.244 4.365 4.120 0.001 0.000 0.249 329 V C -0.381 175.834 176.094 0.201 0.000 1.114 329 V CA 0.359 62.654 62.300 -0.009 0.000 1.028 329 V CB -0.762 31.067 31.823 0.010 0.000 1.170 329 V HN 0.682 nan 8.190 nan 0.000 0.494 330 F N 2.454 122.377 119.950 -0.045 0.000 2.761 330 F HA 0.337 4.865 4.527 0.001 0.000 0.367 330 F C 1.192 177.084 175.800 0.154 0.000 1.386 330 F CA -0.852 57.157 58.000 0.014 0.000 1.177 330 F CB 0.358 39.278 39.000 -0.134 0.000 1.092 330 F HN 0.368 nan 8.300 nan 0.000 0.517 331 T N 0.587 115.289 114.554 0.247 0.000 2.748 331 T HA 0.307 4.658 4.350 0.001 0.000 0.304 331 T C 0.038 174.815 174.700 0.129 0.000 1.041 331 T CA -0.142 62.062 62.100 0.174 0.000 1.033 331 T CB 0.911 69.824 68.868 0.075 0.000 0.995 331 T HN 0.469 nan 8.240 nan 0.000 0.536 332 C N 1.456 120.789 119.300 0.054 0.000 2.432 332 C HA 0.702 5.163 4.460 0.001 0.000 0.334 332 C C -0.295 174.601 174.990 -0.158 0.000 1.155 332 C CA -1.243 57.758 59.018 -0.028 0.000 1.335 332 C CB 0.166 27.890 27.740 -0.026 0.000 1.964 332 C HN 0.850 nan 8.230 nan 0.000 0.444 333 Q N 2.495 122.199 119.800 -0.160 0.000 2.474 333 Q HA 0.580 4.921 4.340 0.001 0.000 0.256 333 Q C -0.549 175.379 176.000 -0.120 0.000 1.048 333 Q CA 0.625 56.289 55.803 -0.231 0.000 0.922 333 Q CB 0.419 29.088 28.738 -0.115 0.000 1.288 333 Q HN 0.975 nan 8.270 nan 0.000 0.484 334 Y N -1.919 118.373 120.300 -0.014 0.000 2.641 334 Y HA 0.706 5.256 4.550 0.001 0.000 0.333 334 Y C -1.316 174.574 175.900 -0.016 0.000 1.174 334 Y CA -0.768 57.319 58.100 -0.022 0.000 1.057 334 Y CB 1.075 39.521 38.460 -0.023 0.000 1.322 334 Y HN 0.732 nan 8.280 nan 0.000 0.457 335 T N -0.705 113.969 114.554 0.200 0.000 2.886 335 T HA 0.807 5.158 4.350 0.001 0.000 0.330 335 T C -0.339 174.353 174.700 -0.013 0.000 1.488 335 T CA -0.278 61.854 62.100 0.054 0.000 1.054 335 T CB 1.123 70.023 68.868 0.054 0.000 1.348 335 T HN 2.364 nan 8.240 nan 0.000 0.489 336 G N 0.738 109.504 108.800 -0.057 0.000 2.353 336 G HA2 0.415 4.375 3.960 0.001 0.000 0.424 336 G HA3 0.415 4.375 3.960 0.001 0.000 0.424 336 G C -1.632 173.218 174.900 -0.083 0.000 1.320 336 G CA -0.170 44.896 45.100 -0.057 0.000 0.995 336 G HN 1.921 nan 8.290 nan 0.000 0.580 337 N N -0.242 118.419 118.700 -0.066 0.000 4.711 337 N HA 0.465 5.206 4.740 0.001 0.000 0.175 337 N C -3.395 172.086 175.510 -0.048 0.000 1.031 337 N CA -0.321 52.691 53.050 -0.063 0.000 1.143 337 N CB 2.489 40.940 38.487 -0.061 0.000 1.585 337 N HN 0.519 nan 8.380 nan 0.000 0.817 338 P HA 0.512 nan 4.420 nan 0.000 0.287 338 P C -0.878 176.396 177.300 -0.044 0.000 1.279 338 P CA -0.542 62.532 63.100 -0.043 0.000 0.867 338 P CB 1.362 33.045 31.700 -0.030 0.000 1.127 339 I N 2.172 122.713 120.570 -0.048 0.000 2.321 339 I HA 0.290 4.460 4.170 0.001 0.000 0.291 339 I C 1.677 177.780 176.117 -0.025 0.000 0.998 339 I CA 0.092 61.368 61.300 -0.039 0.000 1.227 339 I CB 1.184 39.154 38.000 -0.049 0.000 1.368 339 I HN 0.362 nan 8.210 nan 0.000 0.466 340 K N 3.310 123.701 120.400 -0.015 0.000 2.356 340 K HA 0.216 4.537 4.320 0.001 0.000 0.195 340 K C -0.712 175.887 176.600 -0.001 0.000 1.037 340 K CA 0.598 56.880 56.287 -0.007 0.000 1.014 340 K CB 0.419 32.916 32.500 -0.004 0.000 0.815 340 K HN 0.874 nan 8.250 nan 0.000 0.507 341 T N -2.481 112.072 114.554 -0.002 0.000 3.478 341 T HA 0.103 4.453 4.350 0.001 0.000 0.436 341 T C -0.722 173.976 174.700 -0.003 0.000 1.554 341 T CA -1.084 61.016 62.100 0.001 0.000 1.084 341 T CB 0.060 68.933 68.868 0.008 0.000 1.531 341 T HN -0.191 nan 8.240 nan 0.000 0.452 342 V N 2.459 122.362 119.914 -0.017 0.000 2.881 342 V HA 0.696 4.816 4.120 0.001 0.000 0.303 342 V C 0.707 176.766 176.094 -0.059 0.000 1.070 342 V CA -0.286 61.983 62.300 -0.052 0.000 1.074 342 V CB 1.486 33.259 31.823 -0.084 0.000 1.012 342 V HN 1.141 nan 8.190 nan 0.000 0.482 343 S N 0.802 116.451 115.700 -0.085 0.000 2.709 343 S HA 0.741 5.212 4.470 0.001 0.000 0.302 343 S C -1.313 173.177 174.600 -0.184 0.000 1.127 343 S CA -0.618 57.547 58.200 -0.059 0.000 0.905 343 S CB 1.774 64.958 63.200 -0.026 0.000 1.151 343 S HN 0.692 nan 8.310 nan 0.000 0.510 344 W N 1.166 122.480 121.300 0.022 0.000 3.031 344 W HA 0.763 5.423 4.660 0.001 0.000 0.337 344 W C -0.462 176.067 176.519 0.016 0.000 1.187 344 W CA -0.759 56.631 57.345 0.074 0.000 1.166 344 W CB 1.636 31.169 29.460 0.121 0.000 1.437 344 W HN 0.785 nan 8.180 nan 0.000 0.551 345 M N 0.869 120.736 119.600 0.445 0.000 3.069 345 M HA 0.507 4.987 4.480 0.001 0.000 0.274 345 M C -2.112 174.279 176.300 0.152 0.000 1.146 345 M CA -1.089 54.326 55.300 0.192 0.000 0.807 345 M CB 2.433 35.023 32.600 -0.017 0.000 1.621 345 M HN 0.258 nan 8.290 nan 0.000 0.521 346 K N 1.388 121.766 120.400 -0.038 0.000 2.601 346 K HA 0.315 4.636 4.320 0.001 0.000 0.249 346 K C -1.591 174.910 176.600 -0.166 0.000 0.966 346 K CA -0.178 55.948 56.287 -0.268 0.000 0.827 346 K CB 1.097 33.232 32.500 -0.608 0.000 1.178 346 K HN 0.869 nan 8.250 nan 0.000 0.437 347 D N 3.281 123.611 120.400 -0.118 0.000 2.828 347 D HA -0.160 4.481 4.640 0.001 0.000 0.241 347 D C 0.757 177.039 176.300 -0.031 0.000 1.142 347 D CA 1.987 55.952 54.000 -0.058 0.000 0.755 347 D CB -1.145 39.614 40.800 -0.068 0.000 1.014 347 D HN 1.073 nan 8.370 nan 0.000 0.420 348 G N -0.244 108.550 108.800 -0.009 0.000 2.228 348 G HA2 -0.400 3.560 3.960 0.001 0.000 0.270 348 G HA3 -0.400 3.560 3.960 0.001 0.000 0.270 348 G C 0.394 175.276 174.900 -0.030 0.000 0.976 348 G CA 0.964 46.060 45.100 -0.007 0.000 0.636 348 G HN 0.533 nan 8.290 nan 0.000 0.542 349 K N 0.781 121.158 120.400 -0.038 0.000 2.274 349 K HA 0.669 4.989 4.320 0.001 0.000 0.262 349 K C 0.382 176.957 176.600 -0.040 0.000 0.961 349 K CA -0.057 56.207 56.287 -0.038 0.000 0.833 349 K CB 1.762 34.244 32.500 -0.030 0.000 1.102 349 K HN 0.419 nan 8.250 nan 0.000 0.436 350 A N 3.976 126.768 122.820 -0.048 0.000 2.450 350 A HA 0.186 4.507 4.320 0.001 0.000 0.255 350 A C 1.081 178.672 177.584 0.011 0.000 1.096 350 A CA -0.230 51.785 52.037 -0.037 0.000 0.778 350 A CB -0.212 18.752 19.000 -0.061 0.000 1.031 350 A HN 0.921 nan 8.150 nan 0.000 0.494 351 I N -0.162 120.444 120.570 0.059 0.000 2.834 351 I HA 0.545 4.716 4.170 0.001 0.000 0.239 351 I C 1.241 177.411 176.117 0.087 0.000 1.073 351 I CA 0.757 62.105 61.300 0.079 0.000 1.459 351 I CB -0.088 37.983 38.000 0.119 0.000 1.288 351 I HN 0.711 nan 8.210 nan 0.000 0.455 352 G N -0.140 108.740 108.800 0.133 0.000 3.468 352 G HA2 -0.106 3.855 3.960 0.001 0.000 0.219 352 G HA3 -0.106 3.855 3.960 0.001 0.000 0.219 352 G C -0.075 174.940 174.900 0.192 0.000 0.968 352 G CA -0.113 45.063 45.100 0.127 0.000 0.851 352 G HN 0.610 nan 8.290 nan 0.000 0.524 353 H N 2.053 121.195 119.070 0.120 0.000 2.764 353 H HA 0.575 5.132 4.556 0.001 0.000 0.341 353 H C 0.541 176.052 175.328 0.305 0.000 1.072 353 H CA 0.579 56.707 56.048 0.132 0.000 1.444 353 H CB 1.279 31.033 29.762 -0.013 0.000 1.458 353 H HN 0.292 nan 8.280 nan 0.000 0.572 354 S N 4.269 119.911 115.700 -0.097 0.000 2.300 354 S HA 0.401 4.871 4.470 0.001 0.000 0.172 354 S C -0.645 173.882 174.600 -0.120 0.000 1.484 354 S CA -0.894 57.287 58.200 -0.032 0.000 1.265 354 S CB 0.176 63.401 63.200 0.042 0.000 1.313 354 S HN 0.722 nan 8.310 nan 0.000 0.387 355 E N 0.129 120.142 120.200 -0.311 0.000 2.458 355 E HA 0.428 4.779 4.350 0.001 0.000 0.278 355 E C 0.008 176.761 176.600 0.255 0.000 1.004 355 E CA -1.018 55.375 56.400 -0.012 0.000 0.823 355 E CB 1.166 30.934 29.700 0.114 0.000 1.396 355 E HN 0.134 nan 8.360 nan 0.000 0.463 356 S N -0.170 115.684 115.700 0.258 0.000 2.377 356 S HA -0.108 4.363 4.470 0.001 0.000 0.224 356 S C 0.958 175.819 174.600 0.435 0.000 1.042 356 S CA 1.086 59.463 58.200 0.296 0.000 1.086 356 S CB -0.009 63.313 63.200 0.203 0.000 0.995 356 S HN 0.295 nan 8.310 nan 0.000 0.428 357 V N 2.482 122.613 119.914 0.361 0.000 2.370 357 V HA 0.405 4.526 4.120 0.001 0.000 0.283 357 V C -0.182 176.055 176.094 0.238 0.000 1.023 357 V CA -0.491 61.993 62.300 0.307 0.000 0.857 357 V CB 1.259 33.186 31.823 0.174 0.000 0.985 357 V HN 0.373 nan 8.190 nan 0.000 0.443 358 L N 7.078 128.322 121.223 0.036 0.000 2.349 358 L HA 0.703 5.044 4.340 0.001 0.000 0.275 358 L C 0.098 176.816 176.870 -0.253 0.000 1.115 358 L CA -0.278 54.375 54.840 -0.311 0.000 0.820 358 L CB 0.618 42.146 42.059 -0.885 0.000 1.135 358 L HN 0.925 nan 8.230 nan 0.000 0.445 359 R N 3.891 124.184 120.500 -0.345 0.000 2.522 359 R HA 0.511 4.852 4.340 0.001 0.000 0.273 359 R C -2.040 174.083 176.300 -0.295 0.000 1.133 359 R CA -0.813 55.097 56.100 -0.317 0.000 0.969 359 R CB 0.994 31.161 30.300 -0.222 0.000 1.235 359 R HN 0.427 nan 8.270 nan 0.000 0.433 360 I N 3.231 123.632 120.570 -0.280 0.000 2.359 360 I HA 0.195 4.365 4.170 0.001 0.000 0.284 360 I C 1.015 177.026 176.117 -0.177 0.000 1.018 360 I CA -0.345 60.834 61.300 -0.201 0.000 1.173 360 I CB 1.765 39.667 38.000 -0.162 0.000 1.326 360 I HN 0.773 nan 8.210 nan 0.000 0.462 361 E N 1.961 122.077 120.200 -0.139 0.000 2.209 361 E HA -0.133 4.217 4.350 0.001 0.000 0.196 361 E C 0.517 177.060 176.600 -0.095 0.000 0.993 361 E CA 0.795 57.126 56.400 -0.114 0.000 0.819 361 E CB 0.163 29.811 29.700 -0.086 0.000 0.745 361 E HN 0.431 nan 8.360 nan 0.000 0.477 362 S N 0.908 116.558 115.700 -0.083 0.000 2.669 362 S HA 0.287 4.758 4.470 0.001 0.000 0.315 362 S C -0.165 174.390 174.600 -0.076 0.000 1.106 362 S CA -0.788 57.378 58.200 -0.057 0.000 1.107 362 S CB 0.661 63.848 63.200 -0.022 0.000 0.990 362 S HN -0.044 nan 8.310 nan 0.000 0.471 363 V N 4.148 123.991 119.914 -0.118 0.000 3.376 363 V HA 0.541 4.662 4.120 0.001 0.000 0.303 363 V C 0.467 176.449 176.094 -0.188 0.000 1.100 363 V CA -0.362 61.822 62.300 -0.194 0.000 1.126 363 V CB 0.860 32.503 31.823 -0.301 0.000 1.085 363 V HN 0.854 nan 8.190 nan 0.000 0.480 364 K N 0.234 120.489 120.400 -0.242 0.000 2.367 364 K HA 0.478 4.798 4.320 0.001 0.000 0.272 364 K C 0.403 176.884 176.600 -0.198 0.000 1.046 364 K CA -0.658 55.554 56.287 -0.125 0.000 0.895 364 K CB 1.426 33.924 32.500 -0.004 0.000 1.512 364 K HN 0.283 nan 8.250 nan 0.000 0.433 365 K N 0.720 121.133 120.400 0.022 0.000 2.021 365 K HA 0.002 4.322 4.320 0.001 0.000 0.205 365 K C 1.078 177.693 176.600 0.025 0.000 1.047 365 K CA 1.834 58.153 56.287 0.053 0.000 0.943 365 K CB -0.019 32.574 32.500 0.155 0.000 0.725 365 K HN 0.609 nan 8.250 nan 0.000 0.439 366 E N 0.129 120.350 120.200 0.035 0.000 2.485 366 E HA -0.111 4.239 4.350 0.001 0.000 0.194 366 E C -0.542 176.075 176.600 0.029 0.000 1.098 366 E CA 0.669 57.087 56.400 0.030 0.000 0.878 366 E CB -0.046 29.670 29.700 0.027 0.000 0.939 366 E HN 0.139 nan 8.360 nan 0.000 0.503 367 D N 1.387 121.798 120.400 0.018 0.000 2.738 367 D HA 0.151 4.791 4.640 0.001 0.000 0.246 367 D C -0.537 175.826 176.300 0.104 0.000 1.270 367 D CA -0.040 53.991 54.000 0.052 0.000 0.833 367 D CB 0.187 40.980 40.800 -0.011 0.000 1.040 367 D HN 0.341 nan 8.370 nan 0.000 0.487 368 K N -1.744 118.728 120.400 0.120 0.000 2.498 368 K HA 0.772 5.093 4.320 0.001 0.000 0.254 368 K C 0.093 176.809 176.600 0.192 0.000 0.933 368 K CA -1.055 55.343 56.287 0.184 0.000 0.806 368 K CB 2.587 35.135 32.500 0.079 0.000 1.301 368 K HN -0.047 nan 8.250 nan 0.000 0.432 369 G N 1.604 110.578 108.800 0.290 0.000 2.591 369 G HA2 0.156 4.116 3.960 0.001 0.000 0.104 369 G HA3 0.156 4.116 3.960 0.001 0.000 0.104 369 G C -1.536 173.501 174.900 0.229 0.000 1.097 369 G CA -0.809 44.397 45.100 0.176 0.000 1.076 369 G HN 0.415 nan 8.290 nan 0.000 0.485 370 M N 0.942 120.579 119.600 0.061 0.000 2.311 370 M HA 0.578 5.058 4.480 0.001 0.000 0.325 370 M C -1.688 174.632 176.300 0.033 0.000 1.061 370 M CA -0.434 54.955 55.300 0.147 0.000 0.957 370 M CB 1.202 33.853 32.600 0.084 0.000 1.646 370 M HN 0.531 nan 8.290 nan 0.000 0.434 371 Y N 1.326 121.754 120.300 0.214 0.000 2.376 371 Y HA 0.531 5.082 4.550 0.002 0.000 0.340 371 Y C -0.285 175.796 175.900 0.301 0.000 0.965 371 Y CA -0.878 57.413 58.100 0.319 0.000 1.078 371 Y CB 1.994 40.722 38.460 0.447 0.000 1.193 371 Y HN 0.558 nan 8.280 nan 0.000 0.452 372 Q N 2.057 122.150 119.800 0.488 0.000 2.323 372 Q HA 0.482 4.823 4.340 0.001 0.000 0.271 372 Q C -1.355 174.627 176.000 -0.030 0.000 1.048 372 Q CA -0.709 55.236 55.803 0.237 0.000 0.792 372 Q CB 2.683 31.620 28.738 0.333 0.000 1.280 372 Q HN 0.698 nan 8.270 nan 0.000 0.441 373 C N 1.977 120.959 119.300 -0.529 0.000 2.534 373 C HA 0.548 5.009 4.460 0.001 0.000 0.385 373 C C -0.881 174.004 174.990 -0.176 0.000 1.264 373 C CA -0.019 58.505 59.018 -0.824 0.000 2.342 373 C CB -0.161 27.046 27.740 -0.888 0.000 2.564 373 C HN 0.766 nan 8.230 nan 0.000 0.603 374 F N 3.442 123.161 119.950 -0.385 0.000 2.676 374 F HA 0.265 4.792 4.527 0.001 0.000 0.371 374 F C 0.395 176.097 175.800 -0.165 0.000 1.141 374 F CA -0.694 57.183 58.000 -0.206 0.000 1.133 374 F CB 1.172 40.091 39.000 -0.135 0.000 1.376 374 F HN 0.425 nan 8.300 nan 0.000 0.491 375 V N 2.285 122.146 119.914 -0.088 0.000 2.055 375 V HA 0.394 4.514 4.120 0.001 0.000 0.248 375 V C 0.939 177.014 176.094 -0.033 0.000 1.476 375 V CA -0.521 61.742 62.300 -0.062 0.000 1.417 375 V CB -1.083 30.694 31.823 -0.076 0.000 1.465 375 V HN 0.569 nan 8.190 nan 0.000 0.502 376 R N 2.869 123.376 120.500 0.013 0.000 3.066 376 R HA 0.494 4.834 4.340 0.001 0.000 0.220 376 R C 0.541 176.844 176.300 0.005 0.000 1.122 376 R CA 0.641 56.756 56.100 0.026 0.000 1.083 376 R CB 0.163 30.500 30.300 0.061 0.000 0.947 376 R HN 0.970 nan 8.270 nan 0.000 0.495 377 N N -1.990 116.718 118.700 0.013 0.000 3.594 377 N HA -0.087 4.653 4.740 0.001 0.000 0.262 377 N C -0.813 174.700 175.510 0.006 0.000 1.265 377 N CA -0.464 52.586 53.050 0.001 0.000 0.725 377 N CB -0.147 38.332 38.487 -0.013 0.000 1.624 377 N HN 0.282 nan 8.380 nan 0.000 0.348 378 D N -0.182 120.214 120.400 -0.007 0.000 2.183 378 D HA 0.135 4.775 4.640 0.001 0.000 0.205 378 D C 0.457 176.743 176.300 -0.023 0.000 0.962 378 D CA 1.235 55.229 54.000 -0.010 0.000 0.849 378 D CB 0.165 40.953 40.800 -0.020 0.000 0.978 378 D HN 0.337 nan 8.370 nan 0.000 0.488 379 R N 0.144 120.622 120.500 -0.037 0.000 2.748 379 R HA 0.373 4.714 4.340 0.001 0.000 0.395 379 R C 0.098 176.361 176.300 -0.061 0.000 1.128 379 R CA -0.075 55.985 56.100 -0.067 0.000 1.042 379 R CB 1.290 31.546 30.300 -0.073 0.000 1.392 379 R HN 0.059 nan 8.270 nan 0.000 0.582 380 E N 0.434 120.619 120.200 -0.026 0.000 2.050 380 E HA 0.148 4.499 4.350 0.001 0.000 0.243 380 E C -1.864 174.748 176.600 0.020 0.000 1.580 380 E CA -0.333 56.062 56.400 -0.008 0.000 0.976 380 E CB 1.367 31.052 29.700 -0.026 0.000 1.509 380 E HN 0.107 nan 8.360 nan 0.000 0.520 381 S N -0.240 115.460 115.700 -0.001 0.000 2.709 381 S HA 0.645 5.115 4.470 0.001 0.000 0.305 381 S C -1.447 173.105 174.600 -0.081 0.000 0.974 381 S CA -0.324 57.863 58.200 -0.022 0.000 0.837 381 S CB 0.518 63.731 63.200 0.022 0.000 1.032 381 S HN 0.898 nan 8.310 nan 0.000 0.461 382 A N 1.842 124.588 122.820 -0.124 0.000 2.346 382 A HA 1.004 5.324 4.320 0.001 0.000 0.313 382 A C -0.251 177.144 177.584 -0.315 0.000 1.140 382 A CA -0.404 51.523 52.037 -0.183 0.000 0.826 382 A CB 1.505 20.428 19.000 -0.129 0.000 1.332 382 A HN 1.353 nan 8.150 nan 0.000 0.457 383 E N -0.357 119.621 120.200 -0.370 0.000 2.393 383 E HA 0.783 5.133 4.350 0.001 0.000 0.273 383 E C -0.585 175.827 176.600 -0.312 0.000 0.918 383 E CA -0.695 55.385 56.400 -0.535 0.000 0.773 383 E CB 2.006 31.188 29.700 -0.864 0.000 1.275 383 E HN 1.017 nan 8.360 nan 0.000 0.451 384 A N 1.031 123.677 122.820 -0.290 0.000 2.464 384 A HA 0.910 5.231 4.320 0.001 0.000 0.268 384 A C -0.911 176.619 177.584 -0.089 0.000 1.244 384 A CA -0.235 51.699 52.037 -0.171 0.000 0.871 384 A CB 1.543 20.418 19.000 -0.208 0.000 1.400 384 A HN 1.009 nan 8.150 nan 0.000 0.455 385 S N -1.938 113.729 115.700 -0.055 0.000 2.542 385 S HA 0.783 5.254 4.470 0.001 0.000 0.276 385 S C -0.822 173.763 174.600 -0.025 0.000 1.148 385 S CA -0.047 58.156 58.200 0.005 0.000 0.886 385 S CB 1.023 64.241 63.200 0.031 0.000 1.109 385 S HN 2.411 nan 8.310 nan 0.000 0.458 386 A N 1.565 124.399 122.820 0.022 0.000 2.566 386 A HA 0.810 5.131 4.320 0.001 0.000 0.297 386 A C -0.939 176.771 177.584 0.210 0.000 1.059 386 A CA -0.719 51.314 52.037 -0.007 0.000 0.691 386 A CB 1.440 20.172 19.000 -0.447 0.000 1.282 386 A HN 1.132 nan 8.150 nan 0.000 0.401 387 E N 0.864 121.186 120.200 0.202 0.000 2.244 387 E HA 0.706 5.057 4.350 0.001 0.000 0.266 387 E C -1.602 175.140 176.600 0.237 0.000 0.914 387 E CA -0.847 55.689 56.400 0.227 0.000 0.794 387 E CB 1.969 31.709 29.700 0.067 0.000 1.210 387 E HN 0.484 nan 8.360 nan 0.000 0.414 388 L N 3.539 124.905 121.223 0.238 0.000 2.387 388 L HA 0.269 4.609 4.340 0.001 0.000 0.259 388 L C -0.349 176.548 176.870 0.044 0.000 1.050 388 L CA -0.425 54.487 54.840 0.121 0.000 0.922 388 L CB 0.315 42.451 42.059 0.127 0.000 1.280 388 L HN 0.508 nan 8.230 nan 0.000 0.449 389 K N 2.960 123.344 120.400 -0.028 0.000 2.187 389 K HA 0.340 4.660 4.320 0.001 0.000 0.247 389 K C -0.699 175.883 176.600 -0.029 0.000 1.019 389 K CA -0.498 55.753 56.287 -0.059 0.000 0.893 389 K CB 1.327 33.757 32.500 -0.117 0.000 1.025 389 K HN 0.418 nan 8.250 nan 0.000 0.500 390 L N -1.064 120.157 121.223 -0.003 0.000 2.250 390 L HA 0.503 4.844 4.340 0.001 0.000 0.252 390 L C 0.164 177.045 176.870 0.019 0.000 1.054 390 L CA -0.933 53.901 54.840 -0.010 0.000 0.856 390 L CB 2.450 44.508 42.059 -0.002 0.000 1.443 390 L HN 0.943 nan 8.230 nan 0.000 0.427 391 G N 0.000 108.822 108.800 0.036 0.000 5.446 391 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 391 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 391 G CA 0.000 45.137 45.100 0.062 0.000 0.502 391 G HN 0.000 nan 8.290 nan 0.000 0.925