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 3qfk_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNIAFYVVSD VHGYIFPTDF TSRNQYQPXG LLLANHVIEQ DRRQYDQSFK DATA SEQUENCE IDNGDFLQGS PFCNYLIAHS GSSQPLVDFY NRXAFDFGTL GNHEFNYGLP DATA SEQUENCE YLKDTLRRLN YPVLCANIYE NDSTLTDNGV KYFQVGDQTV GVIGLTTQFI DATA SEQUENCE PHWEQPEHIQ SLTFHSAFEI LQQYLPEXKR HADIIVVCYH GGFEKDLESG DATA SEQUENCE TPTEVLTGEN EGYAXLEAFS KDIDIFITGH QHRQIAERFK QTAVIQPGTR DATA SEQUENCE GTTVGRVVLS TDEYENLSVE SCELLPVIDD STFTIDEDDQ HLRKQLEDWL DATA SEQUENCE DYEITTLPYD XTINHAFEAR VAPHPFTNFX NYALLEKSDA DVACTALFDS DATA SEQUENCE ASGFKQVVTX RDVINNYPFP NTFKVLAVSG AKLKEAIERS AEYFDVKNDE DATA SEQUENCE VSVSADFLEP KPQHFNYDIY GGVSYTIHVG RPKGQRVSNX XIQGHAVDLK DATA SEQUENCE QTYTICVNNY RAVGGGQYDX YIDAPVVKDI QVEGAQLLID FLSNNNLXRI DATA SEQUENCE PQVVDFKVEK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.661 174.600 0.102 0.000 1.055 2 S CA 0.000 58.248 58.200 0.081 0.000 1.107 2 S CB 0.000 63.245 63.200 0.076 0.000 0.593 3 N N 1.798 120.571 118.700 0.121 0.000 2.732 3 N HA 0.748 5.484 4.740 -0.006 0.000 0.259 3 N C -1.480 174.105 175.510 0.125 0.000 1.402 3 N CA -0.787 52.345 53.050 0.137 0.000 0.829 3 N CB 1.280 39.882 38.487 0.191 0.000 1.495 3 N HN 0.786 nan 8.380 nan 0.000 0.511 4 I N -0.867 119.745 120.570 0.069 0.000 2.644 4 I HA 0.790 4.957 4.170 -0.006 0.000 0.291 4 I C -1.575 174.426 176.117 -0.193 0.000 1.180 4 I CA -0.788 60.501 61.300 -0.018 0.000 1.040 4 I CB 1.773 39.784 38.000 0.018 0.000 1.255 4 I HN 0.925 nan 8.210 nan 0.000 0.422 5 A N 6.552 129.162 122.820 -0.350 0.000 2.330 5 A HA 0.793 5.110 4.320 -0.006 0.000 0.327 5 A C -1.637 175.667 177.584 -0.468 0.000 1.155 5 A CA -0.320 51.386 52.037 -0.551 0.000 0.803 5 A CB 0.686 19.097 19.000 -0.981 0.000 1.208 5 A HN 0.574 nan 8.150 nan 0.000 0.477 6 F N 1.459 121.239 119.950 -0.284 0.000 2.426 6 F HA 0.499 5.023 4.527 -0.005 0.000 0.348 6 F C -0.653 174.996 175.800 -0.251 0.000 1.124 6 F CA -0.062 57.874 58.000 -0.106 0.000 1.008 6 F CB 1.361 40.351 39.000 -0.016 0.000 1.139 6 F HN 0.502 nan 8.300 nan 0.000 0.452 7 Y N 2.365 122.736 120.300 0.119 0.000 2.360 7 Y HA 0.658 5.206 4.550 -0.005 0.000 0.337 7 Y C -0.356 175.586 175.900 0.069 0.000 1.039 7 Y CA -1.054 57.079 58.100 0.056 0.000 1.109 7 Y CB 2.024 40.470 38.460 -0.025 0.000 1.201 7 Y HN 0.343 nan 8.280 nan 0.000 0.458 8 V N 5.203 125.251 119.914 0.223 0.000 2.686 8 V HA 0.765 4.882 4.120 -0.006 0.000 0.306 8 V C -1.297 174.899 176.094 0.170 0.000 1.065 8 V CA -0.720 61.686 62.300 0.178 0.000 0.894 8 V CB 1.857 33.761 31.823 0.135 0.000 1.004 8 V HN 0.622 nan 8.190 nan 0.000 0.424 9 V N 3.461 123.490 119.914 0.193 0.000 2.815 9 V HA 1.000 5.117 4.120 -0.006 0.000 0.314 9 V C -0.328 175.861 176.094 0.159 0.000 1.064 9 V CA -0.273 62.130 62.300 0.172 0.000 0.952 9 V CB 1.742 33.684 31.823 0.198 0.000 1.020 9 V HN 1.056 nan 8.190 nan 0.000 0.439 10 S N 0.904 116.686 115.700 0.137 0.000 2.556 10 S HA 0.529 4.996 4.470 -0.006 0.000 0.271 10 S C -0.729 173.947 174.600 0.126 0.000 1.135 10 S CA 0.061 58.350 58.200 0.148 0.000 0.858 10 S CB 1.393 64.673 63.200 0.132 0.000 1.114 10 S HN 1.188 nan 8.310 nan 0.000 0.468 11 D N 1.246 121.730 120.400 0.140 0.000 2.686 11 D HA -0.142 4.495 4.640 -0.006 0.000 0.235 11 D C 0.921 177.248 176.300 0.045 0.000 1.160 11 D CA 0.830 54.843 54.000 0.023 0.000 0.645 11 D CB -1.390 39.468 40.800 0.098 0.000 1.039 11 D HN 0.265 nan 8.370 nan 0.000 0.423 12 V N -0.148 119.835 119.914 0.115 0.000 2.407 12 V HA -0.258 3.859 4.120 -0.006 0.000 0.248 12 V C 1.486 177.805 176.094 0.374 0.000 1.055 12 V CA 1.809 64.243 62.300 0.225 0.000 1.049 12 V CB -0.421 31.566 31.823 0.273 0.000 0.662 12 V HN 0.683 nan 8.190 nan 0.000 0.455 13 H N -0.901 118.340 119.070 0.285 0.000 2.820 13 H HA -0.211 4.341 4.556 -0.006 0.000 0.295 13 H C 1.579 177.024 175.328 0.195 0.000 1.187 13 H CA 1.110 57.309 56.048 0.251 0.000 1.144 13 H CB -1.494 28.442 29.762 0.289 0.000 1.354 13 H HN 0.735 nan 8.280 nan 0.000 0.395 14 G N -0.684 108.295 108.800 0.300 0.000 2.155 14 G HA2 -0.358 3.599 3.960 -0.006 0.000 0.257 14 G HA3 -0.358 3.599 3.960 -0.006 0.000 0.257 14 G C -0.033 174.939 174.900 0.120 0.000 0.983 14 G CA 0.409 45.646 45.100 0.228 0.000 0.676 14 G HN 0.532 nan 8.290 nan 0.000 0.528 15 Y N 0.737 121.178 120.300 0.235 0.000 2.636 15 Y HA 0.375 4.922 4.550 -0.006 0.000 0.341 15 Y C 1.761 177.657 175.900 -0.008 0.000 1.169 15 Y CA -0.846 57.353 58.100 0.165 0.000 1.498 15 Y CB 0.145 38.676 38.460 0.119 0.000 1.362 15 Y HN 0.106 nan 8.280 nan 0.000 0.494 16 I N 0.413 120.932 120.570 -0.085 0.000 2.385 16 I HA -0.076 4.091 4.170 -0.006 0.000 0.244 16 I C 0.797 176.578 176.117 -0.561 0.000 1.089 16 I CA 0.460 61.455 61.300 -0.508 0.000 1.410 16 I CB -0.631 36.702 38.000 -1.112 0.000 1.117 16 I HN 0.194 nan 8.210 nan 0.000 0.429 17 F N 2.934 122.725 119.950 -0.265 0.000 2.403 17 F HA 0.214 4.738 4.527 -0.006 0.000 0.320 17 F C -1.477 174.167 175.800 -0.260 0.000 1.176 17 F CA -2.075 55.773 58.000 -0.253 0.000 1.206 17 F CB -0.675 38.161 39.000 -0.273 0.000 1.235 17 F HN -0.031 nan 8.300 nan 0.000 0.565 18 P HA 0.078 nan 4.420 nan 0.000 0.226 18 P C -0.412 176.655 177.300 -0.388 0.000 1.783 18 P CA 0.274 63.149 63.100 -0.376 0.000 0.980 18 P CB 0.272 31.514 31.700 -0.763 0.000 1.967 19 T N 0.271 114.644 114.554 -0.301 0.000 2.830 19 T HA 0.285 4.632 4.350 -0.006 0.000 0.322 19 T C -0.501 174.018 174.700 -0.302 0.000 1.501 19 T CA -0.562 61.321 62.100 -0.361 0.000 1.036 19 T CB 1.282 69.821 68.868 -0.548 0.000 1.379 19 T HN 0.046 nan 8.240 nan 0.000 0.493 20 D N 1.312 121.614 120.400 -0.163 0.000 2.395 20 D HA 0.183 4.819 4.640 -0.006 0.000 0.213 20 D C 0.639 177.110 176.300 0.285 0.000 1.110 20 D CA -0.226 53.835 54.000 0.102 0.000 0.835 20 D CB -0.537 40.268 40.800 0.009 0.000 0.965 20 D HN 0.550 nan 8.370 nan 0.000 0.505 21 F N -0.004 120.022 119.950 0.128 0.000 2.953 21 F HA -0.302 4.221 4.527 -0.007 0.000 0.292 21 F C 1.828 177.670 175.800 0.070 0.000 0.747 21 F CA 0.953 59.009 58.000 0.094 0.000 1.222 21 F CB -2.637 36.434 39.000 0.119 0.000 1.457 21 F HN 0.201 nan 8.300 nan 0.000 0.383 22 T N -3.226 111.427 114.554 0.165 0.000 2.915 22 T HA 0.134 4.481 4.350 -0.006 0.000 0.269 22 T C 0.845 175.598 174.700 0.088 0.000 1.071 22 T CA 1.119 63.286 62.100 0.112 0.000 1.132 22 T CB 0.044 68.951 68.868 0.065 0.000 0.878 22 T HN 0.773 nan 8.240 nan 0.000 0.479 23 S N -0.909 114.837 115.700 0.076 0.000 2.556 23 S HA 0.534 5.000 4.470 -0.006 0.000 0.271 23 S C 0.449 175.082 174.600 0.055 0.000 1.135 23 S CA -1.064 57.171 58.200 0.058 0.000 0.858 23 S CB 2.313 65.534 63.200 0.034 0.000 1.114 23 S HN 0.180 nan 8.310 nan 0.000 0.468 24 R N 1.104 121.635 120.500 0.051 0.000 2.103 24 R HA -0.089 4.248 4.340 -0.006 0.000 0.242 24 R C 0.617 176.924 176.300 0.012 0.000 1.142 24 R CA 1.988 58.114 56.100 0.042 0.000 0.960 24 R CB -0.391 29.928 30.300 0.031 0.000 0.858 24 R HN 0.753 nan 8.270 nan 0.000 0.439 25 N N 0.965 119.672 118.700 0.012 0.000 2.270 25 N HA -0.064 4.672 4.740 -0.006 0.000 0.198 25 N C -0.228 175.300 175.510 0.030 0.000 1.117 25 N CA 0.007 53.066 53.050 0.014 0.000 0.845 25 N CB 0.427 38.922 38.487 0.014 0.000 0.980 25 N HN 0.391 nan 8.380 nan 0.000 0.486 26 Q N 0.641 120.448 119.800 0.011 0.000 2.349 26 Q HA -0.058 4.278 4.340 -0.006 0.000 0.287 26 Q C -1.255 174.777 176.000 0.054 0.000 1.044 26 Q CA 0.519 56.332 55.803 0.016 0.000 0.918 26 Q CB 0.408 29.128 28.738 -0.030 0.000 1.242 26 Q HN 0.298 nan 8.270 nan 0.000 0.405 27 Y N 3.166 123.433 120.300 -0.054 0.000 2.396 27 Y HA 0.255 4.801 4.550 -0.006 0.000 0.332 27 Y C -1.445 174.431 175.900 -0.041 0.000 1.034 27 Y CA -0.512 57.562 58.100 -0.043 0.000 1.057 27 Y CB 1.381 39.830 38.460 -0.018 0.000 1.220 27 Y HN 0.724 nan 8.280 nan 0.000 0.440 28 Q N 7.197 126.873 119.800 -0.207 0.000 2.418 28 Q HA 0.645 4.982 4.340 -0.006 0.000 0.282 28 Q C -3.192 172.684 176.000 -0.207 0.000 1.044 28 Q CA -2.299 53.456 55.803 -0.080 0.000 0.813 28 Q CB 3.295 31.999 28.738 -0.057 0.000 1.428 28 Q HN 0.339 nan 8.270 nan 0.000 0.402 32 L N 0.665 121.823 121.223 -0.108 0.000 2.093 32 L HA 0.209 4.545 4.340 -0.006 0.000 0.208 32 L C 2.696 179.489 176.870 -0.128 0.000 1.085 32 L CA 1.655 56.422 54.840 -0.121 0.000 0.755 32 L CB -0.582 41.361 42.059 -0.194 0.000 0.904 32 L HN 0.627 nan 8.230 nan 0.000 0.435 33 L N -1.340 119.789 121.223 -0.157 0.000 2.012 33 L HA -0.281 4.056 4.340 -0.006 0.000 0.210 33 L C 2.485 179.363 176.870 0.014 0.000 1.073 33 L CA 1.570 56.410 54.840 -0.000 0.000 0.748 33 L CB -0.611 41.510 42.059 0.102 0.000 0.891 33 L HN 0.291 nan 8.230 nan 0.000 0.431 34 L N -0.803 120.275 121.223 -0.243 0.000 2.072 34 L HA -0.147 4.190 4.340 -0.006 0.000 0.205 34 L C 2.854 179.596 176.870 -0.213 0.000 1.079 34 L CA 0.996 55.526 54.840 -0.517 0.000 0.752 34 L CB -0.631 41.052 42.059 -0.626 0.000 0.906 34 L HN 0.233 nan 8.230 nan 0.000 0.436 35 A N 0.305 123.042 122.820 -0.138 0.000 1.902 35 A HA -0.278 4.039 4.320 -0.006 0.000 0.217 35 A C 2.023 179.564 177.584 -0.072 0.000 1.181 35 A CA 2.283 54.274 52.037 -0.078 0.000 0.623 35 A CB -0.756 18.221 19.000 -0.039 0.000 0.818 35 A HN 0.489 nan 8.150 nan 0.000 0.443 36 N N -1.109 117.553 118.700 -0.063 0.000 2.188 36 N HA -0.194 4.543 4.740 -0.006 0.000 0.184 36 N C 1.629 177.107 175.510 -0.054 0.000 1.018 36 N CA 1.818 54.813 53.050 -0.091 0.000 0.858 36 N CB -0.396 38.046 38.487 -0.076 0.000 0.989 36 N HN 0.678 nan 8.380 nan 0.000 0.426 37 H N -0.616 118.410 119.070 -0.073 0.000 2.353 37 H HA 0.011 4.564 4.556 -0.005 0.000 0.300 37 H C 1.821 177.103 175.328 -0.078 0.000 1.090 37 H CA 1.768 57.801 56.048 -0.025 0.000 1.327 37 H CB -0.309 29.496 29.762 0.071 0.000 1.383 37 H HN 0.048 nan 8.280 nan 0.000 0.508 38 V N 0.505 120.354 119.914 -0.108 0.000 2.332 38 V HA -0.259 3.858 4.120 -0.006 0.000 0.248 38 V C 2.531 178.504 176.094 -0.202 0.000 1.055 38 V CA 2.044 64.255 62.300 -0.148 0.000 1.038 38 V CB -0.503 31.280 31.823 -0.068 0.000 0.651 38 V HN 0.451 nan 8.190 nan 0.000 0.450 39 I N -0.548 119.866 120.570 -0.259 0.000 2.202 39 I HA -0.171 3.995 4.170 -0.006 0.000 0.242 39 I C 2.640 178.467 176.117 -0.484 0.000 1.091 39 I CA 1.293 62.288 61.300 -0.508 0.000 1.368 39 I CB -0.473 37.187 38.000 -0.568 0.000 1.058 39 I HN 0.283 nan 8.210 nan 0.000 0.410 40 E N 0.730 120.727 120.200 -0.338 0.000 2.085 40 E HA -0.256 4.091 4.350 -0.006 0.000 0.194 40 E C 2.175 178.638 176.600 -0.228 0.000 0.994 40 E CA 1.344 57.585 56.400 -0.264 0.000 0.801 40 E CB -0.301 29.290 29.700 -0.181 0.000 0.743 40 E HN 0.613 nan 8.360 nan 0.000 0.453 41 Q N 0.103 119.744 119.800 -0.266 0.000 2.119 41 Q HA -0.152 4.185 4.340 -0.006 0.000 0.201 41 Q C 1.738 177.664 176.000 -0.124 0.000 0.972 41 Q CA 1.406 57.084 55.803 -0.209 0.000 0.847 41 Q CB -0.057 28.517 28.738 -0.273 0.000 0.903 41 Q HN 0.195 nan 8.270 nan 0.000 0.433 42 D N 0.257 120.593 120.400 -0.107 0.000 2.234 42 D HA -0.113 4.524 4.640 -0.006 0.000 0.205 42 D C 1.842 178.236 176.300 0.157 0.000 0.962 42 D CA 0.678 54.701 54.000 0.038 0.000 0.855 42 D CB 0.172 41.060 40.800 0.146 0.000 0.951 42 D HN 0.184 nan 8.370 nan 0.000 0.500 43 R N 0.273 120.803 120.500 0.050 0.000 2.189 43 R HA 0.019 4.355 4.340 -0.006 0.000 0.218 43 R C 1.837 178.224 176.300 0.145 0.000 1.074 43 R CA 0.481 56.718 56.100 0.228 0.000 0.991 43 R CB -0.316 29.968 30.300 -0.028 0.000 0.883 43 R HN 0.093 nan 8.270 nan 0.000 0.457 44 R N 1.539 122.043 120.500 0.008 0.000 2.170 44 R HA -0.187 4.150 4.340 -0.006 0.000 0.242 44 R C 2.339 178.601 176.300 -0.064 0.000 1.145 44 R CA 2.108 58.189 56.100 -0.031 0.000 0.984 44 R CB -0.331 29.936 30.300 -0.056 0.000 0.869 44 R HN 0.639 nan 8.270 nan 0.000 0.455 45 Q N -0.446 119.263 119.800 -0.152 0.000 2.369 45 Q HA -0.067 4.270 4.340 -0.006 0.000 0.206 45 Q C -0.197 175.564 176.000 -0.398 0.000 0.963 45 Q CA 0.826 56.437 55.803 -0.319 0.000 0.894 45 Q CB -0.013 28.438 28.738 -0.478 0.000 0.965 45 Q HN 0.279 nan 8.270 nan 0.000 0.475 46 Y N 1.401 121.723 120.300 0.037 0.000 2.403 46 Y HA 0.143 4.689 4.550 -0.006 0.000 0.323 46 Y C 0.877 176.789 175.900 0.021 0.000 1.226 46 Y CA -1.010 57.111 58.100 0.035 0.000 1.235 46 Y CB 0.899 39.388 38.460 0.049 0.000 1.248 46 Y HN -0.097 nan 8.280 nan 0.000 0.489 47 D N 0.039 120.551 120.400 0.187 0.000 2.144 47 D HA -0.113 4.524 4.640 -0.006 0.000 0.199 47 D C 0.192 176.544 176.300 0.087 0.000 0.984 47 D CA 1.429 55.492 54.000 0.106 0.000 0.834 47 D CB 0.183 41.044 40.800 0.101 0.000 0.955 47 D HN 0.703 nan 8.370 nan 0.000 0.465 48 Q N -1.169 118.694 119.800 0.106 0.000 2.575 48 Q HA 0.541 4.878 4.340 -0.006 0.000 0.290 48 Q C -1.367 174.649 176.000 0.028 0.000 0.963 48 Q CA -0.917 54.911 55.803 0.043 0.000 0.783 48 Q CB 2.252 31.022 28.738 0.054 0.000 1.467 48 Q HN 0.017 nan 8.270 nan 0.000 0.402 49 S N 0.018 115.670 115.700 -0.080 0.000 2.547 49 S HA 0.798 5.265 4.470 -0.006 0.000 0.270 49 S C -1.562 172.876 174.600 -0.270 0.000 1.150 49 S CA -0.720 57.440 58.200 -0.067 0.000 0.850 49 S CB 1.058 64.327 63.200 0.115 0.000 1.118 49 S HN 0.468 nan 8.310 nan 0.000 0.461 50 F N 0.948 120.750 119.950 -0.247 0.000 2.546 50 F HA 0.702 5.226 4.527 -0.005 0.000 0.320 50 F C 0.220 175.958 175.800 -0.102 0.000 1.076 50 F CA -0.611 57.259 58.000 -0.216 0.000 0.928 50 F CB 2.289 41.144 39.000 -0.242 0.000 1.189 50 F HN 0.722 nan 8.300 nan 0.000 0.465 51 K N 3.841 124.201 120.400 -0.067 0.000 2.376 51 K HA 0.740 5.057 4.320 -0.006 0.000 0.257 51 K C -1.624 174.903 176.600 -0.121 0.000 0.939 51 K CA -0.336 55.852 56.287 -0.164 0.000 0.809 51 K CB 1.192 33.387 32.500 -0.509 0.000 1.121 51 K HN 0.668 nan 8.250 nan 0.000 0.425 52 I N 2.651 123.238 120.570 0.028 0.000 2.582 52 I HA 0.212 4.379 4.170 -0.006 0.000 0.292 52 I C -0.854 175.371 176.117 0.180 0.000 1.066 52 I CA -0.864 60.408 61.300 -0.047 0.000 1.053 52 I CB 2.043 39.942 38.000 -0.169 0.000 1.241 52 I HN 0.599 nan 8.210 nan 0.000 0.421 53 D N 4.692 125.086 120.400 -0.011 0.000 2.256 53 D HA 0.154 4.791 4.640 -0.006 0.000 0.240 53 D C -0.507 175.817 176.300 0.040 0.000 1.062 53 D CA -0.295 53.670 54.000 -0.058 0.000 0.832 53 D CB 1.596 42.129 40.800 -0.445 0.000 1.135 53 D HN 0.458 nan 8.370 nan 0.000 0.484 54 N N 2.516 121.294 118.700 0.130 0.000 2.376 54 N HA 0.287 5.023 4.740 -0.006 0.000 0.249 54 N C -0.042 175.657 175.510 0.315 0.000 1.140 54 N CA 0.253 53.422 53.050 0.197 0.000 0.870 54 N CB 0.029 38.616 38.487 0.166 0.000 1.124 54 N HN 0.735 nan 8.380 nan 0.000 0.505 55 G N 0.184 109.133 108.800 0.247 0.000 2.663 55 G HA2 -0.105 3.851 3.960 -0.006 0.000 0.686 55 G HA3 -0.105 3.851 3.960 -0.006 0.000 0.686 55 G C -0.873 174.052 174.900 0.042 0.000 1.288 55 G CA -0.455 44.721 45.100 0.127 0.000 0.836 55 G HN 0.282 nan 8.290 nan 0.000 0.584 56 D N -1.594 118.683 120.400 -0.204 0.000 2.718 56 D HA -0.179 4.457 4.640 -0.006 0.000 0.242 56 D C 0.859 176.995 176.300 -0.273 0.000 1.123 56 D CA 2.231 56.066 54.000 -0.274 0.000 0.690 56 D CB -1.383 39.273 40.800 -0.240 0.000 1.059 56 D HN 1.323 nan 8.370 nan 0.000 0.429 57 F N -2.353 117.507 119.950 -0.150 0.000 2.717 57 F HA 0.315 4.839 4.527 -0.006 0.000 0.297 57 F C 1.450 177.249 175.800 -0.001 0.000 1.113 57 F CA -0.508 57.448 58.000 -0.073 0.000 1.319 57 F CB -0.146 38.722 39.000 -0.220 0.000 1.097 57 F HN 0.103 nan 8.300 nan 0.000 0.595 58 L N 0.510 121.400 121.223 -0.554 0.000 2.554 58 L HA 0.353 4.690 4.340 -0.006 0.000 0.225 58 L C 0.194 177.103 176.870 0.066 0.000 1.104 58 L CA 0.693 55.383 54.840 -0.251 0.000 0.866 58 L CB -0.224 41.541 42.059 -0.491 0.000 1.047 58 L HN 0.341 nan 8.230 nan 0.000 0.468 59 Q N -1.602 118.231 119.800 0.055 0.000 2.418 59 Q HA 0.512 4.848 4.340 -0.006 0.000 0.282 59 Q C -0.168 175.931 176.000 0.165 0.000 1.044 59 Q CA 0.194 56.070 55.803 0.123 0.000 0.813 59 Q CB 1.967 30.686 28.738 -0.032 0.000 1.428 59 Q HN 0.094 nan 8.270 nan 0.000 0.402 60 G N 1.517 110.353 108.800 0.060 0.000 3.898 60 G HA2 -0.156 3.801 3.960 -0.006 0.000 0.196 60 G HA3 -0.156 3.801 3.960 -0.006 0.000 0.196 60 G C -0.233 174.610 174.900 -0.095 0.000 1.322 60 G CA 0.320 45.408 45.100 -0.020 0.000 0.942 60 G HN 1.023 nan 8.290 nan 0.000 0.400 61 S N 1.377 116.938 115.700 -0.231 0.000 2.693 61 S HA 0.659 5.125 4.470 -0.006 0.000 0.276 61 S C -1.385 173.072 174.600 -0.238 0.000 1.192 61 S CA -0.427 57.473 58.200 -0.501 0.000 0.994 61 S CB 2.450 65.043 63.200 -1.012 0.000 1.012 61 S HN 0.043 nan 8.310 nan 0.000 0.550 62 P HA -0.041 nan 4.420 nan 0.000 0.219 62 P C 1.118 178.352 177.300 -0.111 0.000 1.146 62 P CA 0.589 63.553 63.100 -0.227 0.000 0.808 62 P CB -0.100 31.301 31.700 -0.500 0.000 0.779 63 F N 0.434 120.168 119.950 -0.361 0.000 2.134 63 F HA -0.232 4.292 4.527 -0.005 0.000 0.299 63 F C 1.910 177.717 175.800 0.012 0.000 1.097 63 F CA 0.986 58.919 58.000 -0.112 0.000 1.264 63 F CB -1.139 37.871 39.000 0.018 0.000 1.001 63 F HN -0.053 nan 8.300 nan 0.000 0.479 64 C N 1.106 120.321 119.300 -0.141 0.000 2.429 64 C HA -0.190 4.267 4.460 -0.006 0.000 0.277 64 C C 2.679 177.587 174.990 -0.136 0.000 1.262 64 C CA 1.256 60.161 59.018 -0.189 0.000 1.733 64 C CB -1.589 26.137 27.740 -0.023 0.000 2.010 64 C HN 0.535 nan 8.230 nan 0.000 0.483 65 N N -0.112 118.577 118.700 -0.018 0.000 2.104 65 N HA -0.204 4.533 4.740 -0.006 0.000 0.190 65 N C 1.684 177.150 175.510 -0.075 0.000 1.024 65 N CA 1.745 54.825 53.050 0.050 0.000 0.853 65 N CB -0.488 38.143 38.487 0.239 0.000 1.008 65 N HN 0.719 nan 8.380 nan 0.000 0.424 66 Y N 2.272 122.392 120.300 -0.300 0.000 2.128 66 Y HA -0.141 4.406 4.550 -0.006 0.000 0.284 66 Y C 2.307 177.969 175.900 -0.397 0.000 1.154 66 Y CA 1.322 59.000 58.100 -0.703 0.000 1.149 66 Y CB -0.404 37.766 38.460 -0.483 0.000 0.976 66 Y HN -0.024 nan 8.280 nan 0.000 0.505 67 L N -0.504 120.553 121.223 -0.276 0.000 2.046 67 L HA -0.254 4.083 4.340 -0.006 0.000 0.208 67 L C 2.332 179.022 176.870 -0.300 0.000 1.077 67 L CA 0.922 55.584 54.840 -0.296 0.000 0.747 67 L CB -0.619 41.261 42.059 -0.297 0.000 0.896 67 L HN 0.297 nan 8.230 nan 0.000 0.432 68 I N 0.394 120.764 120.570 -0.334 0.000 2.286 68 I HA -0.224 3.943 4.170 -0.006 0.000 0.248 68 I C 2.633 178.578 176.117 -0.286 0.000 1.115 68 I CA 1.560 62.653 61.300 -0.346 0.000 1.392 68 I CB -1.283 36.461 38.000 -0.427 0.000 1.065 68 I HN 0.182 nan 8.210 nan 0.000 0.418 69 A N -1.033 121.592 122.820 -0.325 0.000 2.206 69 A HA -0.083 4.234 4.320 -0.006 0.000 0.211 69 A C 1.638 178.837 177.584 -0.641 0.000 1.158 69 A CA 0.904 52.711 52.037 -0.384 0.000 0.761 69 A CB -0.479 18.332 19.000 -0.315 0.000 0.801 69 A HN 0.440 nan 8.150 nan 0.000 0.473 70 H N -1.214 117.530 119.070 -0.544 0.000 4.577 70 H HA 0.103 4.656 4.556 -0.005 0.000 0.128 70 H C 2.567 177.720 175.328 -0.291 0.000 1.298 70 H CA 1.012 56.768 56.048 -0.486 0.000 1.079 70 H CB -0.229 29.079 29.762 -0.757 0.000 1.566 70 H HN 0.375 nan 8.280 nan 0.000 0.316 71 S N -0.096 115.541 115.700 -0.105 0.000 2.399 71 S HA -0.031 4.436 4.470 -0.006 0.000 0.231 71 S C 1.981 176.532 174.600 -0.081 0.000 1.022 71 S CA 1.186 59.340 58.200 -0.076 0.000 0.983 71 S CB -0.634 62.536 63.200 -0.051 0.000 0.803 71 S HN 0.927 nan 8.310 nan 0.000 0.480 72 G N 0.443 109.180 108.800 -0.105 0.000 2.179 72 G HA2 -0.266 3.691 3.960 -0.006 0.000 0.260 72 G HA3 -0.266 3.691 3.960 -0.006 0.000 0.260 72 G C 0.143 175.069 174.900 0.042 0.000 0.977 72 G CA 0.461 45.519 45.100 -0.070 0.000 0.641 72 G HN 1.123 nan 8.290 nan 0.000 0.533 73 S N -0.400 115.296 115.700 -0.007 0.000 2.578 73 S HA 0.672 5.138 4.470 -0.006 0.000 0.301 73 S C 1.477 176.037 174.600 -0.067 0.000 1.091 73 S CA 0.771 58.942 58.200 -0.049 0.000 1.032 73 S CB 1.628 64.782 63.200 -0.075 0.000 1.064 73 S HN 1.289 nan 8.310 nan 0.000 0.508 74 S N 2.787 118.365 115.700 -0.203 0.000 2.603 74 S HA 0.003 4.469 4.470 -0.006 0.000 0.220 74 S C 1.517 176.084 174.600 -0.054 0.000 0.967 74 S CA 0.362 58.486 58.200 -0.128 0.000 0.920 74 S CB -0.219 62.817 63.200 -0.274 0.000 0.773 74 S HN 0.710 nan 8.310 nan 0.000 0.529 75 Q N 3.090 122.854 119.800 -0.059 0.000 2.077 75 Q HA -0.028 4.309 4.340 -0.006 0.000 0.206 75 Q C -0.931 175.098 176.000 0.049 0.000 0.989 75 Q CA 2.264 58.058 55.803 -0.015 0.000 0.853 75 Q CB -1.596 27.126 28.738 -0.027 0.000 0.907 75 Q HN 0.442 nan 8.270 nan 0.000 0.418 76 P HA -0.132 nan 4.420 nan 0.000 0.218 76 P C 1.085 178.598 177.300 0.356 0.000 1.148 76 P CA 0.886 64.101 63.100 0.192 0.000 0.822 76 P CB -0.068 31.808 31.700 0.292 0.000 0.784 77 L N -0.823 120.597 121.223 0.328 0.000 2.068 77 L HA -0.049 4.287 4.340 -0.006 0.000 0.204 77 L C 2.168 179.335 176.870 0.495 0.000 1.076 77 L CA 1.636 56.784 54.840 0.513 0.000 0.753 77 L CB -1.180 41.048 42.059 0.282 0.000 0.910 77 L HN -0.222 nan 8.230 nan 0.000 0.439 78 V N 0.304 120.385 119.914 0.277 0.000 2.392 78 V HA -0.308 3.808 4.120 -0.006 0.000 0.249 78 V C 2.270 178.490 176.094 0.209 0.000 1.059 78 V CA 1.950 64.378 62.300 0.212 0.000 1.051 78 V CB -0.814 31.043 31.823 0.057 0.000 0.658 78 V HN 0.470 nan 8.190 nan 0.000 0.455 79 D N -0.269 120.197 120.400 0.109 0.000 2.133 79 D HA -0.179 4.458 4.640 -0.006 0.000 0.195 79 D C 1.977 178.262 176.300 -0.025 0.000 0.997 79 D CA 1.452 55.441 54.000 -0.018 0.000 0.840 79 D CB -0.343 40.357 40.800 -0.165 0.000 0.947 79 D HN 0.458 nan 8.370 nan 0.000 0.452 80 F N -0.149 119.883 119.950 0.136 0.000 2.102 80 F HA -0.167 4.356 4.527 -0.006 0.000 0.298 80 F C 2.345 178.177 175.800 0.054 0.000 1.105 80 F CA 0.937 58.965 58.000 0.046 0.000 1.239 80 F CB -0.925 38.054 39.000 -0.036 0.000 0.991 80 F HN 0.025 nan 8.300 nan 0.000 0.474 81 Y N 0.260 120.747 120.300 0.311 0.000 2.181 81 Y HA -0.230 4.317 4.550 -0.005 0.000 0.288 81 Y C 2.319 178.399 175.900 0.300 0.000 1.146 81 Y CA 1.480 59.749 58.100 0.282 0.000 1.164 81 Y CB -0.758 37.785 38.460 0.139 0.000 0.982 81 Y HN -0.003 nan 8.280 nan 0.000 0.515 82 N N 0.032 118.938 118.700 0.344 0.000 2.223 82 N HA -0.085 4.652 4.740 -0.006 0.000 0.185 82 N C 0.712 176.317 175.510 0.158 0.000 1.016 82 N CA 0.812 54.005 53.050 0.239 0.000 0.863 82 N CB -0.177 38.389 38.487 0.132 0.000 0.983 82 N HN 0.268 nan 8.380 nan 0.000 0.429 86 F N 0.876 120.685 119.950 -0.234 0.000 2.410 86 F HA 0.290 4.813 4.527 -0.006 0.000 0.334 86 F C 1.359 176.954 175.800 -0.342 0.000 1.134 86 F CA 0.507 58.238 58.000 -0.449 0.000 1.227 86 F CB 0.839 39.246 39.000 -0.988 0.000 1.194 86 F HN 0.462 nan 8.300 nan 0.000 0.571 87 D N 1.045 121.384 120.400 -0.100 0.000 2.259 87 D HA 0.048 4.685 4.640 -0.006 0.000 0.216 87 D C -0.285 176.197 176.300 0.303 0.000 0.961 87 D CA 1.317 55.366 54.000 0.082 0.000 0.878 87 D CB 0.381 41.266 40.800 0.141 0.000 1.009 87 D HN 0.303 nan 8.370 nan 0.000 0.490 88 F N -1.799 118.220 119.950 0.115 0.000 2.842 88 F HA 0.587 5.111 4.527 -0.005 0.000 0.319 88 F C -0.553 175.320 175.800 0.122 0.000 1.159 88 F CA -1.262 56.861 58.000 0.204 0.000 0.902 88 F CB 1.055 40.166 39.000 0.184 0.000 1.311 88 F HN -0.113 nan 8.300 nan 0.000 0.453 89 G N -0.598 108.471 108.800 0.448 0.000 2.788 89 G HA2 0.727 4.683 3.960 -0.006 0.000 0.293 89 G HA3 0.727 4.683 3.960 -0.006 0.000 0.293 89 G C -1.560 173.505 174.900 0.275 0.000 1.392 89 G CA -0.337 44.911 45.100 0.247 0.000 0.810 89 G HN 1.268 nan 8.290 nan 0.000 0.508 90 T N -2.299 112.378 114.554 0.204 0.000 2.888 90 T HA 0.734 5.081 4.350 -0.006 0.000 0.288 90 T C -0.594 174.221 174.700 0.191 0.000 1.063 90 T CA -0.779 61.439 62.100 0.196 0.000 1.010 90 T CB 1.534 70.528 68.868 0.210 0.000 1.214 90 T HN 0.419 nan 8.240 nan 0.000 0.533 91 L N 1.254 122.574 121.223 0.162 0.000 2.289 91 L HA 0.663 4.999 4.340 -0.006 0.000 0.285 91 L C 0.995 177.864 176.870 -0.002 0.000 1.049 91 L CA -0.765 54.141 54.840 0.111 0.000 0.804 91 L CB 1.198 43.346 42.059 0.149 0.000 1.195 91 L HN 1.029 nan 8.230 nan 0.000 0.428 92 G N 0.993 109.649 108.800 -0.240 0.000 2.488 92 G HA2 0.134 4.091 3.960 -0.006 0.000 0.318 92 G HA3 0.134 4.091 3.960 -0.006 0.000 0.318 92 G C 0.789 175.635 174.900 -0.089 0.000 1.188 92 G CA -0.576 44.097 45.100 -0.711 0.000 0.944 92 G HN 0.735 nan 8.290 nan 0.000 0.495 93 N N -0.372 118.367 118.700 0.065 0.000 2.223 93 N HA -0.191 4.545 4.740 -0.006 0.000 0.185 93 N C 1.205 176.788 175.510 0.123 0.000 1.016 93 N CA 1.360 54.545 53.050 0.225 0.000 0.863 93 N CB -0.467 38.208 38.487 0.313 0.000 0.983 93 N HN 0.610 nan 8.380 nan 0.000 0.429 94 H N 0.274 119.414 119.070 0.117 0.000 2.546 94 H HA 0.066 4.619 4.556 -0.005 0.000 0.277 94 H C 0.915 176.162 175.328 -0.134 0.000 1.004 94 H CA 0.666 56.725 56.048 0.018 0.000 1.231 94 H CB 0.235 30.035 29.762 0.064 0.000 1.382 94 H HN 0.328 nan 8.280 nan 0.000 0.580 95 E N 0.045 120.165 120.200 -0.133 0.000 2.409 95 E HA -0.078 4.269 4.350 -0.006 0.000 0.198 95 E C 0.885 177.229 176.600 -0.427 0.000 1.024 95 E CA 0.485 56.647 56.400 -0.396 0.000 0.861 95 E CB -0.192 29.165 29.700 -0.572 0.000 0.788 95 E HN 0.404 nan 8.360 nan 0.000 0.521 96 F N -0.725 119.181 119.950 -0.073 0.000 2.749 96 F HA 0.218 4.742 4.527 -0.005 0.000 0.300 96 F C 1.438 177.156 175.800 -0.138 0.000 1.103 96 F CA -0.083 57.893 58.000 -0.041 0.000 1.342 96 F CB -0.109 38.930 39.000 0.065 0.000 1.098 96 F HN 0.005 nan 8.300 nan 0.000 0.586 97 N N -0.305 118.328 118.700 -0.110 0.000 2.258 97 N HA -0.221 4.516 4.740 -0.006 0.000 0.187 97 N C 0.403 175.616 175.510 -0.494 0.000 1.012 97 N CA 1.125 54.006 53.050 -0.282 0.000 0.870 97 N CB -0.167 38.022 38.487 -0.497 0.000 0.977 97 N HN 0.305 nan 8.380 nan 0.000 0.434 98 Y N -0.207 119.908 120.300 -0.308 0.000 2.584 98 Y HA 0.377 4.923 4.550 -0.005 0.000 0.254 98 Y C 1.076 176.613 175.900 -0.604 0.000 1.177 98 Y CA -0.262 57.548 58.100 -0.483 0.000 1.216 98 Y CB 0.556 38.571 38.460 -0.742 0.000 1.172 98 Y HN -0.069 nan 8.280 nan 0.000 0.529 99 G N -0.069 108.287 108.800 -0.741 0.000 2.629 99 G HA2 -0.184 3.773 3.960 -0.006 0.000 0.686 99 G HA3 -0.184 3.773 3.960 -0.006 0.000 0.686 99 G C -0.117 174.754 174.900 -0.049 0.000 1.232 99 G CA -0.432 44.383 45.100 -0.475 0.000 0.803 99 G HN 0.141 nan 8.290 nan 0.000 0.638 100 L N 1.495 122.761 121.223 0.073 0.000 2.056 100 L HA 0.160 4.497 4.340 -0.006 0.000 0.207 100 L C 0.366 177.269 176.870 0.055 0.000 1.078 100 L CA 2.802 57.700 54.840 0.097 0.000 0.749 100 L CB -0.912 41.237 42.059 0.148 0.000 0.901 100 L HN 0.480 nan 8.230 nan 0.000 0.433 101 P HA -0.213 nan 4.420 nan 0.000 0.217 101 P C 1.279 178.608 177.300 0.050 0.000 1.150 101 P CA 1.377 64.505 63.100 0.047 0.000 0.832 101 P CB -0.202 31.530 31.700 0.055 0.000 0.787 102 Y N 0.187 120.458 120.300 -0.048 0.000 2.242 102 Y HA -0.143 4.403 4.550 -0.006 0.000 0.291 102 Y C 2.089 177.946 175.900 -0.072 0.000 1.137 102 Y CA 1.021 59.088 58.100 -0.056 0.000 1.181 102 Y CB -0.823 37.614 38.460 -0.038 0.000 0.989 102 Y HN -0.210 nan 8.280 nan 0.000 0.527 103 L N 0.904 122.163 121.223 0.060 0.000 2.027 103 L HA -0.150 4.186 4.340 -0.006 0.000 0.206 103 L C 2.126 178.924 176.870 -0.120 0.000 1.074 103 L CA 1.878 56.667 54.840 -0.085 0.000 0.745 103 L CB -0.833 41.094 42.059 -0.220 0.000 0.898 103 L HN 0.082 nan 8.230 nan 0.000 0.433 104 K N -0.524 119.826 120.400 -0.084 0.000 2.063 104 K HA -0.239 4.078 4.320 -0.006 0.000 0.208 104 K C 1.900 178.440 176.600 -0.101 0.000 1.048 104 K CA 1.733 57.974 56.287 -0.076 0.000 0.928 104 K CB -0.369 32.106 32.500 -0.042 0.000 0.713 104 K HN 0.431 nan 8.250 nan 0.000 0.442 105 D N 0.052 120.377 120.400 -0.125 0.000 2.123 105 D HA -0.138 4.499 4.640 -0.006 0.000 0.196 105 D C 1.587 177.774 176.300 -0.189 0.000 0.992 105 D CA 1.606 55.512 54.000 -0.155 0.000 0.833 105 D CB 0.049 40.732 40.800 -0.194 0.000 0.954 105 D HN 0.051 nan 8.370 nan 0.000 0.455 106 T N 0.151 114.561 114.554 -0.241 0.000 2.708 106 T HA -0.103 4.244 4.350 -0.006 0.000 0.266 106 T C 2.035 176.649 174.700 -0.145 0.000 1.037 106 T CA 1.005 62.983 62.100 -0.204 0.000 1.146 106 T CB -0.332 68.426 68.868 -0.185 0.000 0.865 106 T HN 0.173 nan 8.240 nan 0.000 0.435 107 L N 0.365 121.512 121.223 -0.127 0.000 2.083 107 L HA -0.085 4.251 4.340 -0.006 0.000 0.209 107 L C 2.852 179.632 176.870 -0.149 0.000 1.083 107 L CA 1.353 56.109 54.840 -0.140 0.000 0.752 107 L CB -0.552 41.442 42.059 -0.107 0.000 0.899 107 L HN 0.173 nan 8.230 nan 0.000 0.433 108 R N -0.069 120.358 120.500 -0.120 0.000 2.148 108 R HA -0.093 4.244 4.340 -0.006 0.000 0.227 108 R C 2.322 178.559 176.300 -0.105 0.000 1.103 108 R CA 0.949 56.989 56.100 -0.101 0.000 0.983 108 R CB -0.109 30.142 30.300 -0.081 0.000 0.874 108 R HN 0.370 nan 8.270 nan 0.000 0.451 109 R N 0.029 120.458 120.500 -0.120 0.000 2.200 109 R HA 0.121 4.458 4.340 -0.006 0.000 0.208 109 R C 0.423 176.653 176.300 -0.116 0.000 1.033 109 R CA 0.149 56.187 56.100 -0.104 0.000 1.000 109 R CB 0.083 30.323 30.300 -0.101 0.000 0.906 109 R HN 0.066 nan 8.270 nan 0.000 0.462 110 L N 2.753 123.859 121.223 -0.194 0.000 2.426 110 L HA 0.024 4.361 4.340 -0.006 0.000 0.271 110 L C 0.737 177.467 176.870 -0.234 0.000 1.169 110 L CA -0.261 54.400 54.840 -0.298 0.000 0.836 110 L CB 0.538 42.208 42.059 -0.648 0.000 1.112 110 L HN 0.216 nan 8.230 nan 0.000 0.465 111 N N 1.826 120.463 118.700 -0.105 0.000 2.295 111 N HA 0.029 4.765 4.740 -0.006 0.000 0.221 111 N C -0.798 174.785 175.510 0.121 0.000 1.129 111 N CA -0.237 52.823 53.050 0.017 0.000 0.836 111 N CB -0.081 38.455 38.487 0.081 0.000 1.040 111 N HN 0.515 nan 8.380 nan 0.000 0.494 112 Y N -3.130 117.186 120.300 0.027 0.000 2.615 112 Y HA 0.797 5.344 4.550 -0.006 0.000 0.341 112 Y C -3.041 172.883 175.900 0.039 0.000 1.089 112 Y CA -2.729 55.406 58.100 0.058 0.000 1.049 112 Y CB 0.474 38.996 38.460 0.104 0.000 1.296 112 Y HN -0.211 nan 8.280 nan 0.000 0.470 113 P HA 0.335 nan 4.420 nan 0.000 0.282 113 P C -1.087 176.319 177.300 0.177 0.000 1.249 113 P CA -0.442 62.722 63.100 0.106 0.000 0.806 113 P CB 2.265 34.037 31.700 0.120 0.000 0.984 114 V N 3.870 123.812 119.914 0.047 0.000 2.347 114 V HA 0.268 4.384 4.120 -0.006 0.000 0.280 114 V C 0.406 176.540 176.094 0.066 0.000 1.021 114 V CA -0.566 61.783 62.300 0.081 0.000 0.847 114 V CB 0.985 32.814 31.823 0.009 0.000 0.990 114 V HN 0.371 nan 8.190 nan 0.000 0.444 115 L N 4.883 126.161 121.223 0.091 0.000 2.275 115 L HA 0.601 4.937 4.340 -0.006 0.000 0.288 115 L C -0.321 176.569 176.870 0.033 0.000 1.046 115 L CA -0.177 54.673 54.840 0.017 0.000 0.805 115 L CB 1.437 43.467 42.059 -0.047 0.000 1.193 115 L HN 0.715 nan 8.230 nan 0.000 0.426 116 C N 2.940 122.243 119.300 0.005 0.000 2.679 116 C HA 0.605 5.061 4.460 -0.006 0.000 0.354 116 C C 1.038 176.026 174.990 -0.003 0.000 1.067 116 C CA -0.390 58.653 59.018 0.042 0.000 1.317 116 C CB 0.597 28.391 27.740 0.090 0.000 1.843 116 C HN 0.964 nan 8.230 nan 0.000 0.459 117 A N 4.228 127.038 122.820 -0.017 0.000 2.178 117 A HA 0.108 4.424 4.320 -0.006 0.000 0.211 117 A C 1.573 179.249 177.584 0.152 0.000 1.157 117 A CA 1.124 53.144 52.037 -0.030 0.000 0.780 117 A CB -0.163 18.692 19.000 -0.241 0.000 0.828 117 A HN 0.992 nan 8.150 nan 0.000 0.476 118 N N -0.288 118.531 118.700 0.199 0.000 2.187 118 N HA 0.186 4.922 4.740 -0.006 0.000 0.212 118 N C -0.346 175.390 175.510 0.378 0.000 1.152 118 N CA -0.049 53.202 53.050 0.335 0.000 0.872 118 N CB 0.169 38.829 38.487 0.288 0.000 1.025 118 N HN 0.362 nan 8.380 nan 0.000 0.514 119 I N 1.445 122.161 120.570 0.245 0.000 2.389 119 I HA 0.297 4.464 4.170 -0.006 0.000 0.288 119 I C -1.047 175.117 176.117 0.079 0.000 0.999 119 I CA -0.857 60.485 61.300 0.070 0.000 1.129 119 I CB 0.942 38.931 38.000 -0.018 0.000 1.288 119 I HN -0.156 nan 8.210 nan 0.000 0.444 120 Y N 4.214 124.449 120.300 -0.107 0.000 2.387 120 Y HA 0.363 4.909 4.550 -0.005 0.000 0.336 120 Y C 0.211 176.050 175.900 -0.101 0.000 1.067 120 Y CA -0.835 57.242 58.100 -0.038 0.000 1.114 120 Y CB 1.660 40.164 38.460 0.073 0.000 1.208 120 Y HN 0.458 nan 8.280 nan 0.000 0.458 121 E N 4.154 124.378 120.200 0.039 0.000 2.145 121 E HA 0.307 4.653 4.350 -0.006 0.000 0.262 121 E C -0.459 176.177 176.600 0.060 0.000 0.883 121 E CA -0.237 56.176 56.400 0.023 0.000 0.748 121 E CB 0.212 29.915 29.700 0.004 0.000 1.140 121 E HN 0.827 nan 8.360 nan 0.000 0.417 122 N N 3.509 122.251 118.700 0.070 0.000 1.404 122 N HA -0.231 4.506 4.740 -0.006 0.000 0.158 122 N C -0.124 175.472 175.510 0.144 0.000 0.802 122 N CA 1.647 54.743 53.050 0.077 0.000 1.056 122 N CB -1.000 37.518 38.487 0.051 0.000 1.314 122 N HN 0.622 nan 8.380 nan 0.000 0.482 123 D N 0.816 121.297 120.400 0.134 0.000 2.349 123 D HA 0.219 4.855 4.640 -0.006 0.000 0.214 123 D C 0.351 176.806 176.300 0.258 0.000 1.063 123 D CA 0.618 54.730 54.000 0.185 0.000 0.847 123 D CB 0.078 40.940 40.800 0.103 0.000 0.933 123 D HN 0.490 nan 8.370 nan 0.000 0.513 124 S N -1.213 114.577 115.700 0.149 0.000 2.697 124 S HA 0.514 4.980 4.470 -0.006 0.000 0.289 124 S C -0.021 174.308 174.600 -0.451 0.000 1.149 124 S CA -0.858 57.292 58.200 -0.084 0.000 0.850 124 S CB 1.408 64.574 63.200 -0.056 0.000 1.151 124 S HN 0.028 nan 8.310 nan 0.000 0.491 125 T N 0.147 114.273 114.554 -0.713 0.000 2.940 125 T HA 0.183 4.530 4.350 -0.006 0.000 0.309 125 T C 1.200 175.740 174.700 -0.267 0.000 1.056 125 T CA -0.331 61.384 62.100 -0.642 0.000 1.137 125 T CB 0.215 68.827 68.868 -0.426 0.000 0.976 125 T HN 0.785 nan 8.240 nan 0.000 0.547 126 L N 2.765 123.888 121.223 -0.168 0.000 2.012 126 L HA 0.042 4.378 4.340 -0.006 0.000 0.210 126 L C 1.493 178.331 176.870 -0.053 0.000 1.073 126 L CA 2.163 56.966 54.840 -0.061 0.000 0.748 126 L CB -1.331 40.737 42.059 0.014 0.000 0.891 126 L HN 1.068 nan 8.230 nan 0.000 0.431 127 T N -3.575 110.945 114.554 -0.056 0.000 2.882 127 T HA 0.131 4.478 4.350 -0.006 0.000 0.287 127 T C 0.864 175.528 174.700 -0.061 0.000 1.014 127 T CA -0.223 61.850 62.100 -0.046 0.000 1.049 127 T CB 0.703 69.555 68.868 -0.027 0.000 1.001 127 T HN 0.171 nan 8.240 nan 0.000 0.525 128 D N 0.828 121.201 120.400 -0.046 0.000 2.123 128 D HA -0.041 4.596 4.640 -0.006 0.000 0.196 128 D C 0.491 176.767 176.300 -0.039 0.000 0.992 128 D CA 1.418 55.395 54.000 -0.038 0.000 0.833 128 D CB -0.000 40.785 40.800 -0.024 0.000 0.954 128 D HN 0.515 nan 8.370 nan 0.000 0.455 129 N N -1.835 116.840 118.700 -0.042 0.000 2.357 129 N HA 0.403 5.139 4.740 -0.006 0.000 0.284 129 N C 0.533 175.996 175.510 -0.078 0.000 1.236 129 N CA -0.304 52.717 53.050 -0.049 0.000 0.774 129 N CB 2.277 40.741 38.487 -0.038 0.000 1.534 129 N HN 0.057 nan 8.380 nan 0.000 0.478 130 G N -0.597 108.135 108.800 -0.113 0.000 2.781 130 G HA2 0.282 4.239 3.960 -0.006 0.000 0.208 130 G HA3 0.282 4.239 3.960 -0.006 0.000 0.208 130 G C -0.081 174.641 174.900 -0.296 0.000 1.099 130 G CA 0.251 45.239 45.100 -0.185 0.000 0.776 130 G HN 0.326 nan 8.290 nan 0.000 0.532 131 V N -0.145 119.590 119.914 -0.299 0.000 2.962 131 V HA 0.665 4.781 4.120 -0.006 0.000 0.313 131 V C -0.825 175.039 176.094 -0.384 0.000 1.099 131 V CA -0.987 61.061 62.300 -0.420 0.000 0.971 131 V CB 2.315 33.857 31.823 -0.469 0.000 1.028 131 V HN 0.136 nan 8.190 nan 0.000 0.430 132 K N 1.703 121.781 120.400 -0.538 0.000 2.525 132 K HA 0.636 4.953 4.320 -0.006 0.000 0.254 132 K C -2.204 174.111 176.600 -0.475 0.000 0.934 132 K CA -0.585 55.485 56.287 -0.362 0.000 0.802 132 K CB 2.141 34.489 32.500 -0.253 0.000 1.295 132 K HN 0.631 nan 8.250 nan 0.000 0.433 133 Y N 2.680 122.940 120.300 -0.067 0.000 2.549 133 Y HA 0.634 5.180 4.550 -0.006 0.000 0.339 133 Y C -0.312 175.661 175.900 0.121 0.000 1.053 133 Y CA -0.688 57.328 58.100 -0.138 0.000 1.105 133 Y CB 1.573 39.806 38.460 -0.377 0.000 1.258 133 Y HN 0.518 nan 8.280 nan 0.000 0.478 134 F N -1.747 118.283 119.950 0.132 0.000 2.741 134 F HA 0.671 5.195 4.527 -0.005 0.000 0.311 134 F C -1.800 174.080 175.800 0.134 0.000 1.149 134 F CA -1.386 56.697 58.000 0.139 0.000 0.930 134 F CB 1.214 40.309 39.000 0.158 0.000 1.312 134 F HN 0.242 nan 8.300 nan 0.000 0.450 135 Q N 0.931 120.934 119.800 0.338 0.000 2.235 135 Q HA 0.765 5.102 4.340 -0.006 0.000 0.256 135 Q C -1.204 174.968 176.000 0.287 0.000 0.951 135 Q CA -0.873 55.056 55.803 0.210 0.000 0.890 135 Q CB 2.296 31.136 28.738 0.169 0.000 1.279 135 Q HN 0.637 nan 8.270 nan 0.000 0.444 136 V N 2.563 122.585 119.914 0.181 0.000 2.439 136 V HA 0.639 4.756 4.120 -0.006 0.000 0.277 136 V C 0.536 176.706 176.094 0.128 0.000 1.008 136 V CA 0.240 62.654 62.300 0.191 0.000 0.846 136 V CB 0.488 32.422 31.823 0.184 0.000 1.031 136 V HN 0.950 nan 8.190 nan 0.000 0.441 137 G N 5.111 113.982 108.800 0.119 0.000 2.556 137 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.283 137 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.283 137 G C 0.319 175.267 174.900 0.080 0.000 1.177 137 G CA 0.530 45.684 45.100 0.090 0.000 0.978 137 G HN 0.944 nan 8.290 nan 0.000 0.554 138 D N 1.003 121.442 120.400 0.065 0.000 2.395 138 D HA 0.244 4.881 4.640 -0.006 0.000 0.226 138 D C 0.625 176.954 176.300 0.049 0.000 1.146 138 D CA 0.395 54.427 54.000 0.054 0.000 0.830 138 D CB 0.187 41.013 40.800 0.044 0.000 0.958 138 D HN 0.482 nan 8.370 nan 0.000 0.501 139 Q N -0.117 119.715 119.800 0.054 0.000 2.301 139 Q HA 0.455 4.792 4.340 -0.006 0.000 0.267 139 Q C -0.498 175.518 176.000 0.026 0.000 1.035 139 Q CA -0.354 55.473 55.803 0.039 0.000 0.856 139 Q CB 2.212 30.975 28.738 0.041 0.000 1.337 139 Q HN -0.020 nan 8.270 nan 0.000 0.450 140 T N 0.938 115.497 114.554 0.008 0.000 2.797 140 T HA 0.481 4.827 4.350 -0.006 0.000 0.279 140 T C -0.308 174.322 174.700 -0.118 0.000 0.991 140 T CA -0.446 61.640 62.100 -0.023 0.000 0.979 140 T CB 1.304 70.216 68.868 0.073 0.000 0.943 140 T HN 0.215 nan 8.240 nan 0.000 0.444 141 V N 2.437 122.133 119.914 -0.363 0.000 2.483 141 V HA 0.789 4.906 4.120 -0.006 0.000 0.295 141 V C 0.634 176.456 176.094 -0.453 0.000 1.035 141 V CA -0.658 61.336 62.300 -0.511 0.000 0.896 141 V CB 1.766 33.002 31.823 -0.978 0.000 0.986 141 V HN 1.027 nan 8.190 nan 0.000 0.447 142 G N 3.037 111.673 108.800 -0.275 0.000 2.530 142 G HA2 0.633 4.590 3.960 -0.006 0.000 0.316 142 G HA3 0.633 4.590 3.960 -0.006 0.000 0.316 142 G C -1.323 173.345 174.900 -0.386 0.000 1.298 142 G CA -0.426 44.454 45.100 -0.366 0.000 0.948 142 G HN 0.543 nan 8.290 nan 0.000 0.486 143 V N 3.436 123.059 119.914 -0.485 0.000 2.540 143 V HA 0.544 4.660 4.120 -0.006 0.000 0.302 143 V C -0.294 175.545 176.094 -0.425 0.000 1.035 143 V CA -0.808 61.261 62.300 -0.385 0.000 0.873 143 V CB 1.695 33.239 31.823 -0.464 0.000 0.992 143 V HN 0.755 nan 8.190 nan 0.000 0.428 144 I N 3.061 123.451 120.570 -0.301 0.000 2.465 144 I HA 0.815 4.982 4.170 -0.006 0.000 0.291 144 I C 0.425 176.446 176.117 -0.160 0.000 1.014 144 I CA -0.267 60.855 61.300 -0.297 0.000 1.093 144 I CB 1.599 39.402 38.000 -0.328 0.000 1.267 144 I HN 0.743 nan 8.210 nan 0.000 0.431 145 G N 7.897 116.617 108.800 -0.134 0.000 2.343 145 G HA2 0.665 4.622 3.960 -0.006 0.000 0.319 145 G HA3 0.665 4.622 3.960 -0.006 0.000 0.319 145 G C -1.243 173.680 174.900 0.038 0.000 1.126 145 G CA -0.462 44.636 45.100 -0.002 0.000 0.889 145 G HN 0.548 nan 8.290 nan 0.000 0.457 146 L N 1.028 122.338 121.223 0.146 0.000 2.393 146 L HA 0.653 4.989 4.340 -0.006 0.000 0.260 146 L C -0.183 176.908 176.870 0.368 0.000 1.002 146 L CA -0.817 54.163 54.840 0.233 0.000 0.818 146 L CB 2.973 45.158 42.059 0.210 0.000 1.369 146 L HN 0.468 nan 8.230 nan 0.000 0.412 147 T N -0.820 113.956 114.554 0.370 0.000 2.900 147 T HA 0.246 4.593 4.350 -0.006 0.000 0.295 147 T C -0.362 174.556 174.700 0.364 0.000 1.044 147 T CA -0.510 61.795 62.100 0.343 0.000 0.995 147 T CB 1.970 71.025 68.868 0.312 0.000 1.072 147 T HN 0.605 nan 8.240 nan 0.000 0.473 148 T N 1.896 116.578 114.554 0.213 0.000 2.905 148 T HA -0.034 4.312 4.350 -0.006 0.000 0.299 148 T C 1.539 176.338 174.700 0.164 0.000 1.024 148 T CA 0.249 62.447 62.100 0.162 0.000 1.151 148 T CB 0.291 69.109 68.868 -0.084 0.000 0.987 148 T HN 0.735 nan 8.240 nan 0.000 0.535 149 Q N 4.040 123.946 119.800 0.177 0.000 2.472 149 Q HA 0.021 4.358 4.340 -0.006 0.000 0.208 149 Q C 1.433 177.364 176.000 -0.115 0.000 0.958 149 Q CA 0.814 56.687 55.803 0.117 0.000 0.932 149 Q CB -0.257 28.582 28.738 0.169 0.000 1.007 149 Q HN 0.810 nan 8.270 nan 0.000 0.508 150 F N 1.100 120.796 119.950 -0.423 0.000 2.802 150 F HA 0.148 4.671 4.527 -0.006 0.000 0.300 150 F C 1.525 176.627 175.800 -1.163 0.000 1.168 150 F CA 0.051 57.589 58.000 -0.771 0.000 1.433 150 F CB 0.183 38.602 39.000 -0.968 0.000 1.115 150 F HN 0.030 nan 8.300 nan 0.000 0.582 151 I N 1.161 121.197 120.570 -0.889 0.000 2.181 151 I HA -0.302 3.865 4.170 -0.006 0.000 0.247 151 I C -0.717 174.904 176.117 -0.825 0.000 1.081 151 I CA 1.441 62.253 61.300 -0.813 0.000 1.340 151 I CB -1.665 35.773 38.000 -0.937 0.000 1.036 151 I HN 0.062 nan 8.210 nan 0.000 0.417 152 P HA -0.145 nan 4.420 nan 0.000 0.225 152 P C 1.196 178.076 177.300 -0.700 0.000 1.148 152 P CA 1.391 64.062 63.100 -0.715 0.000 0.779 152 P CB -0.209 31.091 31.700 -0.665 0.000 0.780 153 H N -3.213 115.314 119.070 -0.904 0.000 2.547 153 H HA 0.061 4.614 4.556 -0.006 0.000 0.266 153 H C 0.849 175.872 175.328 -0.508 0.000 0.988 153 H CA 0.755 56.316 56.048 -0.812 0.000 1.147 153 H CB 0.221 29.235 29.762 -1.247 0.000 1.365 153 H HN 0.320 nan 8.280 nan 0.000 0.589 154 W N 0.583 121.729 121.300 -0.256 0.000 3.097 154 W HA 0.170 4.826 4.660 -0.005 0.000 0.245 154 W C 0.867 177.309 176.519 -0.128 0.000 1.120 154 W CA -0.274 56.915 57.345 -0.260 0.000 1.468 154 W CB 0.058 29.492 29.460 -0.043 0.000 0.851 154 W HN -0.018 nan 8.180 nan 0.000 0.692 155 E N 1.388 121.628 120.200 0.067 0.000 2.283 155 E HA 0.190 4.537 4.350 -0.006 0.000 0.271 155 E C -0.234 176.347 176.600 -0.032 0.000 1.031 155 E CA -0.191 56.242 56.400 0.056 0.000 0.868 155 E CB 0.867 30.591 29.700 0.040 0.000 1.094 155 E HN -0.107 nan 8.360 nan 0.000 0.401 156 Q N 4.151 123.916 119.800 -0.058 0.000 2.263 156 Q HA 0.020 4.357 4.340 -0.006 0.000 0.289 156 Q C -1.677 174.217 176.000 -0.177 0.000 1.061 156 Q CA -1.070 54.607 55.803 -0.210 0.000 0.927 156 Q CB 0.552 28.990 28.738 -0.500 0.000 1.154 156 Q HN 0.444 nan 8.270 nan 0.000 0.378 157 P HA -0.235 nan 4.420 nan 0.000 0.216 157 P C 0.309 177.578 177.300 -0.051 0.000 1.154 157 P CA 1.368 64.415 63.100 -0.089 0.000 0.865 157 P CB 0.331 31.979 31.700 -0.087 0.000 0.789 158 E N -1.853 118.293 120.200 -0.090 0.000 2.204 158 E HA -0.191 4.156 4.350 -0.006 0.000 0.195 158 E C 1.792 178.452 176.600 0.101 0.000 0.990 158 E CA 1.126 57.513 56.400 -0.022 0.000 0.821 158 E CB -0.983 28.687 29.700 -0.051 0.000 0.750 158 E HN 0.569 nan 8.360 nan 0.000 0.477 159 H N -0.672 118.434 119.070 0.061 0.000 2.502 159 H HA 0.111 4.663 4.556 -0.005 0.000 0.283 159 H C 1.470 176.887 175.328 0.149 0.000 1.015 159 H CA 0.973 57.088 56.048 0.111 0.000 1.298 159 H CB 0.186 30.026 29.762 0.128 0.000 1.411 159 H HN 0.252 nan 8.280 nan 0.000 0.556 160 I N -0.871 119.825 120.570 0.210 0.000 3.966 160 I HA 0.067 4.234 4.170 -0.006 0.000 0.324 160 I C 1.722 177.909 176.117 0.117 0.000 1.517 160 I CA -0.252 61.157 61.300 0.182 0.000 1.117 160 I CB 0.292 38.399 38.000 0.178 0.000 1.190 160 I HN 0.097 nan 8.210 nan 0.000 0.466 161 Q N 2.185 122.034 119.800 0.082 0.000 2.197 161 Q HA -0.181 4.155 4.340 -0.006 0.000 0.207 161 Q C 1.661 177.680 176.000 0.032 0.000 0.984 161 Q CA 2.271 58.100 55.803 0.042 0.000 0.869 161 Q CB -0.554 28.203 28.738 0.032 0.000 0.906 161 Q HN 0.677 nan 8.270 nan 0.000 0.426 162 S N -0.441 115.282 115.700 0.038 0.000 2.556 162 S HA 0.295 4.761 4.470 -0.006 0.000 0.216 162 S C 0.574 175.168 174.600 -0.009 0.000 0.970 162 S CA -0.623 57.589 58.200 0.020 0.000 0.912 162 S CB 0.007 63.226 63.200 0.031 0.000 0.790 162 S HN 0.235 nan 8.310 nan 0.000 0.504 163 L N 1.544 122.743 121.223 -0.040 0.000 2.360 163 L HA 0.543 4.880 4.340 -0.006 0.000 0.271 163 L C -0.205 176.514 176.870 -0.252 0.000 1.057 163 L CA -0.470 54.252 54.840 -0.197 0.000 0.803 163 L CB 1.590 43.419 42.059 -0.383 0.000 1.207 163 L HN 0.031 nan 8.230 nan 0.000 0.445 164 T N 1.366 115.696 114.554 -0.373 0.000 2.841 164 T HA 0.535 4.882 4.350 -0.006 0.000 0.285 164 T C -0.817 173.530 174.700 -0.588 0.000 0.991 164 T CA -0.304 61.585 62.100 -0.353 0.000 0.966 164 T CB 0.758 69.476 68.868 -0.250 0.000 0.962 164 T HN 0.113 nan 8.240 nan 0.000 0.438 165 F N 3.492 123.261 119.950 -0.301 0.000 2.375 165 F HA 0.390 4.914 4.527 -0.006 0.000 0.361 165 F C 1.009 176.654 175.800 -0.258 0.000 1.117 165 F CA -0.968 56.912 58.000 -0.200 0.000 1.037 165 F CB 0.889 39.791 39.000 -0.163 0.000 1.192 165 F HN 0.470 nan 8.300 nan 0.000 0.452 166 H N 0.703 119.877 119.070 0.173 0.000 2.502 166 H HA 0.189 4.741 4.556 -0.006 0.000 0.338 166 H C -0.012 175.413 175.328 0.163 0.000 1.155 166 H CA -0.674 55.449 56.048 0.125 0.000 1.237 166 H CB 2.100 31.904 29.762 0.069 0.000 1.534 166 H HN 0.504 nan 8.280 nan 0.000 0.523 167 S N 0.978 116.842 115.700 0.274 0.000 2.546 167 S HA 0.062 4.528 4.470 -0.006 0.000 0.290 167 S C 1.325 176.067 174.600 0.237 0.000 1.290 167 S CA -0.090 58.252 58.200 0.236 0.000 1.069 167 S CB 0.341 63.673 63.200 0.220 0.000 0.846 167 S HN 0.729 nan 8.310 nan 0.000 0.495 168 A N 5.444 128.390 122.820 0.209 0.000 1.930 168 A HA 0.016 4.333 4.320 -0.006 0.000 0.217 168 A C 1.751 179.394 177.584 0.099 0.000 1.175 168 A CA 1.404 53.510 52.037 0.115 0.000 0.627 168 A CB -0.881 18.097 19.000 -0.037 0.000 0.815 168 A HN 1.018 nan 8.150 nan 0.000 0.443 169 F N 0.938 120.901 119.950 0.022 0.000 2.102 169 F HA -0.179 4.345 4.527 -0.006 0.000 0.298 169 F C 2.223 178.100 175.800 0.127 0.000 1.105 169 F CA 2.252 60.304 58.000 0.086 0.000 1.239 169 F CB -0.113 38.941 39.000 0.090 0.000 0.991 169 F HN 0.348 nan 8.300 nan 0.000 0.474 170 E N 0.154 120.574 120.200 0.367 0.000 2.072 170 E HA -0.190 4.157 4.350 -0.006 0.000 0.191 170 E C 2.263 178.911 176.600 0.080 0.000 0.985 170 E CA 1.195 57.736 56.400 0.235 0.000 0.801 170 E CB -0.104 29.734 29.700 0.230 0.000 0.750 170 E HN 0.364 nan 8.360 nan 0.000 0.452 171 I N 1.018 121.647 120.570 0.098 0.000 2.252 171 I HA -0.198 3.969 4.170 -0.006 0.000 0.245 171 I C 2.472 178.643 176.117 0.089 0.000 1.102 171 I CA 0.794 62.164 61.300 0.118 0.000 1.385 171 I CB -0.878 37.222 38.000 0.167 0.000 1.064 171 I HN 0.183 nan 8.210 nan 0.000 0.414 172 L N 0.997 122.197 121.223 -0.039 0.000 2.017 172 L HA -0.236 4.101 4.340 -0.006 0.000 0.208 172 L C 2.615 179.266 176.870 -0.365 0.000 1.073 172 L CA 1.907 56.640 54.840 -0.178 0.000 0.745 172 L CB -0.949 40.965 42.059 -0.242 0.000 0.894 172 L HN 0.283 nan 8.230 nan 0.000 0.432 173 Q N -0.996 118.524 119.800 -0.467 0.000 2.096 173 Q HA -0.278 4.059 4.340 -0.006 0.000 0.204 173 Q C 2.189 178.018 176.000 -0.285 0.000 0.982 173 Q CA 2.155 57.618 55.803 -0.566 0.000 0.850 173 Q CB -0.115 28.478 28.738 -0.241 0.000 0.901 173 Q HN 0.693 nan 8.270 nan 0.000 0.422 174 Q N -1.287 118.428 119.800 -0.141 0.000 2.230 174 Q HA -0.145 4.192 4.340 -0.006 0.000 0.202 174 Q C 1.327 177.228 176.000 -0.165 0.000 0.963 174 Q CA 1.118 56.846 55.803 -0.125 0.000 0.866 174 Q CB 0.120 28.797 28.738 -0.101 0.000 0.931 174 Q HN 0.469 nan 8.270 nan 0.000 0.452 175 Y N -0.067 120.143 120.300 -0.150 0.000 2.448 175 Y HA 0.007 4.553 4.550 -0.005 0.000 0.289 175 Y C 1.799 177.619 175.900 -0.133 0.000 1.114 175 Y CA 0.304 58.336 58.100 -0.113 0.000 1.235 175 Y CB 0.270 38.669 38.460 -0.101 0.000 1.045 175 Y HN 0.032 nan 8.280 nan 0.000 0.554 176 L N 0.239 121.407 121.223 -0.092 0.000 2.043 176 L HA -0.229 4.108 4.340 -0.006 0.000 0.212 176 L C -0.576 176.248 176.870 -0.076 0.000 1.075 176 L CA 1.495 56.246 54.840 -0.149 0.000 0.752 176 L CB -1.631 40.213 42.059 -0.358 0.000 0.891 176 L HN 0.184 nan 8.230 nan 0.000 0.432 177 P HA -0.170 nan 4.420 nan 0.000 0.215 177 P C 0.339 177.631 177.300 -0.014 0.000 1.157 177 P CA 1.164 64.234 63.100 -0.049 0.000 0.868 177 P CB -0.104 31.559 31.700 -0.062 0.000 0.788 181 R N 0.657 121.175 120.500 0.029 0.000 2.075 181 R HA -0.036 4.301 4.340 -0.006 0.000 0.232 181 R C 2.073 178.372 176.300 -0.001 0.000 1.126 181 R CA 1.400 57.501 56.100 0.001 0.000 0.963 181 R CB -0.197 30.093 30.300 -0.018 0.000 0.858 181 R HN 0.200 nan 8.270 nan 0.000 0.435 182 H N 0.130 119.143 119.070 -0.094 0.000 2.372 182 H HA 0.205 4.758 4.556 -0.006 0.000 0.301 182 H C -0.032 175.214 175.328 -0.136 0.000 1.065 182 H CA 1.168 57.096 56.048 -0.201 0.000 1.364 182 H CB 0.182 29.661 29.762 -0.473 0.000 1.406 182 H HN 0.161 nan 8.280 nan 0.000 0.521 183 A N -0.012 122.905 122.820 0.161 0.000 2.330 183 A HA 0.329 4.645 4.320 -0.006 0.000 0.329 183 A C 0.445 178.057 177.584 0.047 0.000 1.135 183 A CA -0.382 51.720 52.037 0.108 0.000 0.817 183 A CB 1.075 20.142 19.000 0.112 0.000 1.269 183 A HN 0.334 nan 8.150 nan 0.000 0.469 184 D N -0.149 120.264 120.400 0.021 0.000 2.355 184 D HA 0.130 4.767 4.640 -0.006 0.000 0.206 184 D C -0.156 176.142 176.300 -0.004 0.000 1.010 184 D CA 1.000 55.005 54.000 0.008 0.000 0.875 184 D CB 0.509 41.316 40.800 0.011 0.000 0.966 184 D HN 0.273 nan 8.370 nan 0.000 0.512 185 I N 1.780 122.335 120.570 -0.025 0.000 2.499 185 I HA 0.337 4.504 4.170 -0.006 0.000 0.288 185 I C -0.378 175.693 176.117 -0.078 0.000 1.048 185 I CA -0.599 60.674 61.300 -0.045 0.000 1.062 185 I CB 2.334 40.306 38.000 -0.046 0.000 1.238 185 I HN -0.242 nan 8.210 nan 0.000 0.426 186 I N 6.232 126.761 120.570 -0.069 0.000 2.378 186 I HA 0.421 4.588 4.170 -0.006 0.000 0.291 186 I C -0.405 175.652 176.117 -0.100 0.000 0.992 186 I CA -0.851 60.399 61.300 -0.085 0.000 1.154 186 I CB 2.092 40.062 38.000 -0.052 0.000 1.315 186 I HN 0.116 nan 8.210 nan 0.000 0.448 187 V N 7.320 127.151 119.914 -0.138 0.000 2.384 187 V HA 0.366 4.483 4.120 -0.006 0.000 0.287 187 V C -0.061 175.993 176.094 -0.067 0.000 1.020 187 V CA -0.688 61.535 62.300 -0.130 0.000 0.850 187 V CB 1.918 33.618 31.823 -0.205 0.000 0.987 187 V HN 0.375 nan 8.190 nan 0.000 0.436 188 V N 3.891 123.819 119.914 0.023 0.000 2.398 188 V HA 0.353 4.469 4.120 -0.006 0.000 0.286 188 V C -0.161 175.930 176.094 -0.005 0.000 1.026 188 V CA -0.366 61.965 62.300 0.052 0.000 0.868 188 V CB 1.578 33.548 31.823 0.246 0.000 0.982 188 V HN 0.985 nan 8.190 nan 0.000 0.443 189 C N 6.045 125.355 119.300 0.017 0.000 2.291 189 C HA 0.491 4.948 4.460 -0.006 0.000 0.322 189 C C -0.524 174.525 174.990 0.098 0.000 1.205 189 C CA -0.852 58.195 59.018 0.049 0.000 1.495 189 C CB -0.428 27.416 27.740 0.173 0.000 2.127 189 C HN 0.788 nan 8.230 nan 0.000 0.452 190 Y N 2.424 122.621 120.300 -0.172 0.000 2.328 190 Y HA 0.399 4.946 4.550 -0.005 0.000 0.333 190 Y C 0.150 176.004 175.900 -0.076 0.000 0.958 190 Y CA -0.894 57.133 58.100 -0.123 0.000 1.167 190 Y CB 0.241 38.546 38.460 -0.259 0.000 1.151 190 Y HN 0.772 nan 8.280 nan 0.000 0.470 191 H N 4.737 123.687 119.070 -0.200 0.000 3.045 191 H HA 0.560 5.112 4.556 -0.006 0.000 0.254 191 H C -0.057 174.870 175.328 -0.667 0.000 1.747 191 H CA 0.684 56.575 56.048 -0.262 0.000 1.444 191 H CB -0.540 29.204 29.762 -0.029 0.000 1.778 191 H HN 0.889 nan 8.280 nan 0.000 0.544 192 G N 0.588 108.618 108.800 -1.284 0.000 2.506 192 G HA2 0.484 4.441 3.960 -0.006 0.000 0.292 192 G HA3 0.484 4.441 3.960 -0.006 0.000 0.292 192 G C -0.625 173.783 174.900 -0.819 0.000 1.425 192 G CA -0.313 44.029 45.100 -1.263 0.000 0.788 192 G HN 0.652 nan 8.290 nan 0.000 0.490 193 G N -1.469 107.109 108.800 -0.370 0.000 3.252 193 G HA2 0.686 4.642 3.960 -0.006 0.000 0.181 193 G HA3 0.686 4.642 3.960 -0.006 0.000 0.181 193 G C -1.509 173.184 174.900 -0.346 0.000 1.187 193 G CA -0.808 44.048 45.100 -0.408 0.000 0.886 193 G HN 0.493 nan 8.290 nan 0.000 0.615 194 F N 0.735 120.806 119.950 0.201 0.000 2.482 194 F HA 0.368 4.892 4.527 -0.006 0.000 0.331 194 F C 1.213 177.089 175.800 0.128 0.000 1.115 194 F CA -1.032 57.093 58.000 0.209 0.000 0.955 194 F CB 2.264 41.389 39.000 0.208 0.000 1.136 194 F HN 0.497 nan 8.300 nan 0.000 0.452 195 E N 1.222 121.593 120.200 0.285 0.000 2.472 195 E HA 0.098 4.445 4.350 -0.006 0.000 0.196 195 E C -0.483 176.141 176.600 0.041 0.000 1.033 195 E CA 0.425 56.899 56.400 0.123 0.000 0.886 195 E CB 0.354 30.103 29.700 0.081 0.000 0.944 195 E HN 0.596 nan 8.360 nan 0.000 0.492 196 K N 0.892 121.309 120.400 0.028 0.000 2.477 196 K HA 0.262 4.579 4.320 -0.006 0.000 0.255 196 K C -1.368 175.167 176.600 -0.107 0.000 0.952 196 K CA -0.938 55.232 56.287 -0.195 0.000 0.826 196 K CB 1.778 33.872 32.500 -0.677 0.000 1.331 196 K HN -0.152 nan 8.250 nan 0.000 0.437 197 D N 1.460 121.790 120.400 -0.116 0.000 2.458 197 D HA -0.005 4.632 4.640 -0.006 0.000 0.243 197 D C 1.004 177.320 176.300 0.028 0.000 1.146 197 D CA 0.133 54.115 54.000 -0.030 0.000 0.877 197 D CB 0.724 41.507 40.800 -0.028 0.000 1.176 197 D HN 0.422 nan 8.370 nan 0.000 0.461 198 L N 2.620 123.879 121.223 0.059 0.000 2.079 198 L HA -0.135 4.202 4.340 -0.006 0.000 0.210 198 L C 2.191 179.225 176.870 0.274 0.000 1.081 198 L CA 1.369 56.317 54.840 0.179 0.000 0.752 198 L CB -0.346 41.711 42.059 -0.002 0.000 0.896 198 L HN 0.672 nan 8.230 nan 0.000 0.433 199 E N -0.323 119.954 120.200 0.129 0.000 2.057 199 E HA -0.152 4.195 4.350 -0.006 0.000 0.190 199 E C 2.282 178.930 176.600 0.081 0.000 0.969 199 E CA 1.071 57.523 56.400 0.087 0.000 0.812 199 E CB 0.126 29.846 29.700 0.034 0.000 0.777 199 E HN 0.420 nan 8.360 nan 0.000 0.455 200 S N -0.773 114.954 115.700 0.045 0.000 2.395 200 S HA 0.095 4.562 4.470 -0.006 0.000 0.225 200 S C 1.754 176.355 174.600 0.000 0.000 1.027 200 S CA 0.905 59.114 58.200 0.014 0.000 0.965 200 S CB 0.018 63.210 63.200 -0.012 0.000 0.812 200 S HN 0.569 nan 8.310 nan 0.000 0.482 201 G N 0.646 109.406 108.800 -0.067 0.000 2.143 201 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.249 201 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.249 201 G C 0.125 174.839 174.900 -0.309 0.000 0.981 201 G CA 0.335 45.247 45.100 -0.314 0.000 0.665 201 G HN 0.678 nan 8.290 nan 0.000 0.528 202 T N 2.910 117.357 114.554 -0.178 0.000 2.832 202 T HA 0.493 4.840 4.350 -0.006 0.000 0.296 202 T C -1.981 172.632 174.700 -0.145 0.000 0.968 202 T CA -0.656 61.366 62.100 -0.130 0.000 1.107 202 T CB 1.621 70.446 68.868 -0.072 0.000 0.916 202 T HN 0.080 nan 8.240 nan 0.000 0.517 203 P HA 0.083 nan 4.420 nan 0.000 0.265 203 P C 0.660 177.919 177.300 -0.068 0.000 1.187 203 P CA 0.030 63.070 63.100 -0.101 0.000 0.766 203 P CB 0.308 31.962 31.700 -0.076 0.000 0.820 204 T N -1.285 113.238 114.554 -0.051 0.000 3.145 204 T HA 0.316 4.663 4.350 -0.006 0.000 0.281 204 T C 0.041 174.720 174.700 -0.036 0.000 1.003 204 T CA -0.380 61.701 62.100 -0.032 0.000 0.901 204 T CB -0.318 68.545 68.868 -0.009 0.000 1.112 204 T HN 0.595 nan 8.240 nan 0.000 0.535 205 E N -0.587 119.586 120.200 -0.045 0.000 2.427 205 E HA 0.454 4.801 4.350 -0.006 0.000 0.279 205 E C -1.777 174.785 176.600 -0.063 0.000 1.120 205 E CA -1.225 55.139 56.400 -0.061 0.000 0.869 205 E CB 0.797 30.460 29.700 -0.062 0.000 1.393 205 E HN -0.073 nan 8.360 nan 0.000 0.443 206 V N 1.640 121.509 119.914 -0.075 0.000 2.585 206 V HA 0.050 4.167 4.120 -0.006 0.000 0.296 206 V C 0.574 176.621 176.094 -0.077 0.000 1.035 206 V CA -0.075 62.184 62.300 -0.068 0.000 1.084 206 V CB 0.301 32.084 31.823 -0.066 0.000 0.953 206 V HN 0.469 nan 8.190 nan 0.000 0.483 207 L N 5.690 126.877 121.223 -0.061 0.000 2.382 207 L HA 0.113 4.449 4.340 -0.006 0.000 0.259 207 L C 1.660 178.494 176.870 -0.059 0.000 1.291 207 L CA 0.047 54.853 54.840 -0.057 0.000 1.176 207 L CB -0.410 41.623 42.059 -0.044 0.000 1.373 207 L HN 0.954 nan 8.230 nan 0.000 0.426 208 T N -3.600 110.891 114.554 -0.106 0.000 3.067 208 T HA 0.142 4.489 4.350 -0.006 0.000 0.257 208 T C 1.468 176.145 174.700 -0.039 0.000 1.105 208 T CA 0.576 62.621 62.100 -0.092 0.000 1.104 208 T CB 0.525 69.238 68.868 -0.259 0.000 0.925 208 T HN 0.662 nan 8.240 nan 0.000 0.498 209 G N 1.147 109.898 108.800 -0.083 0.000 2.179 209 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.220 209 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.220 209 G C 0.628 175.515 174.900 -0.021 0.000 0.990 209 G CA 0.575 45.680 45.100 0.008 0.000 0.646 209 G HN 0.583 nan 8.290 nan 0.000 0.517 210 E N 0.244 120.239 120.200 -0.342 0.000 2.051 210 E HA -0.096 4.250 4.350 -0.006 0.000 0.192 210 E C 0.443 177.025 176.600 -0.031 0.000 0.991 210 E CA 1.019 57.186 56.400 -0.388 0.000 0.799 210 E CB -0.060 29.204 29.700 -0.726 0.000 0.748 210 E HN 0.483 nan 8.360 nan 0.000 0.449 211 N N 0.562 119.270 118.700 0.013 0.000 2.372 211 N HA 0.120 4.857 4.740 -0.006 0.000 0.285 211 N C -0.831 174.801 175.510 0.203 0.000 1.008 211 N CA -0.094 53.044 53.050 0.147 0.000 0.880 211 N CB 1.780 40.335 38.487 0.113 0.000 1.239 211 N HN 0.150 nan 8.380 nan 0.000 0.484 212 E N 0.267 120.667 120.200 0.334 0.000 2.660 212 E HA 0.145 4.492 4.350 -0.006 0.000 0.216 212 E C 1.429 178.188 176.600 0.265 0.000 0.986 212 E CA -0.270 56.274 56.400 0.240 0.000 1.037 212 E CB 0.636 30.445 29.700 0.181 0.000 1.041 212 E HN 0.686 nan 8.360 nan 0.000 0.480 213 G N 0.988 110.021 108.800 0.389 0.000 2.442 213 G HA2 -0.321 3.636 3.960 -0.006 0.000 0.219 213 G HA3 -0.321 3.636 3.960 -0.006 0.000 0.219 213 G C 1.298 176.442 174.900 0.406 0.000 1.141 213 G CA 0.766 46.148 45.100 0.470 0.000 0.763 213 G HN 0.285 nan 8.290 nan 0.000 0.554 214 Y N 1.854 122.362 120.300 0.347 0.000 2.133 214 Y HA 0.325 4.872 4.550 -0.006 0.000 0.287 214 Y C 2.287 178.176 175.900 -0.018 0.000 1.134 214 Y CA 0.408 58.575 58.100 0.112 0.000 1.133 214 Y CB -0.497 38.032 38.460 0.115 0.000 0.987 214 Y HN 0.332 nan 8.280 nan 0.000 0.502 218 E N 1.786 121.638 120.200 -0.581 0.000 2.150 218 E HA -0.107 4.240 4.350 -0.006 0.000 0.193 218 E C 1.821 178.295 176.600 -0.210 0.000 0.985 218 E CA 1.413 57.656 56.400 -0.263 0.000 0.814 218 E CB -0.039 29.525 29.700 -0.227 0.000 0.752 218 E HN 0.469 nan 8.360 nan 0.000 0.466 219 A N 0.462 123.058 122.820 -0.372 0.000 1.935 219 A HA 0.125 4.442 4.320 -0.006 0.000 0.214 219 A C 1.389 178.492 177.584 -0.802 0.000 1.178 219 A CA 0.580 52.217 52.037 -0.667 0.000 0.640 219 A CB -0.278 18.116 19.000 -1.009 0.000 0.825 219 A HN 0.343 nan 8.150 nan 0.000 0.447 220 F N -1.473 118.399 119.950 -0.130 0.000 2.724 220 F HA 0.208 4.732 4.527 -0.006 0.000 0.310 220 F C 2.090 177.819 175.800 -0.118 0.000 1.107 220 F CA 0.285 58.202 58.000 -0.138 0.000 1.218 220 F CB 0.306 39.186 39.000 -0.200 0.000 1.042 220 F HN 0.155 nan 8.300 nan 0.000 0.540 221 S N 2.018 117.721 115.700 0.005 0.000 2.372 221 S HA -0.292 4.174 4.470 -0.006 0.000 0.227 221 S C 2.359 176.996 174.600 0.062 0.000 1.044 221 S CA 2.413 60.636 58.200 0.038 0.000 1.050 221 S CB -0.258 63.060 63.200 0.198 0.000 0.901 221 S HN 0.595 nan 8.310 nan 0.000 0.447 222 K N -0.112 120.324 120.400 0.060 0.000 2.286 222 K HA -0.138 4.179 4.320 -0.006 0.000 0.203 222 K C 0.803 177.426 176.600 0.037 0.000 1.045 222 K CA 1.853 58.165 56.287 0.042 0.000 0.935 222 K CB -0.309 32.212 32.500 0.034 0.000 0.737 222 K HN 0.356 nan 8.250 nan 0.000 0.460 223 D N 0.434 120.863 120.400 0.048 0.000 2.379 223 D HA 0.193 4.830 4.640 -0.006 0.000 0.208 223 D C 0.289 176.596 176.300 0.013 0.000 1.065 223 D CA 0.144 54.160 54.000 0.026 0.000 0.848 223 D CB 0.436 41.250 40.800 0.022 0.000 0.949 223 D HN 0.239 nan 8.370 nan 0.000 0.509 224 I N 1.610 122.194 120.570 0.023 0.000 2.339 224 I HA 0.123 4.289 4.170 -0.006 0.000 0.290 224 I C 0.820 176.953 176.117 0.027 0.000 0.994 224 I CA -0.411 60.901 61.300 0.020 0.000 1.191 224 I CB 1.879 39.891 38.000 0.019 0.000 1.343 224 I HN -0.321 nan 8.210 nan 0.000 0.458 225 D N 5.986 126.391 120.400 0.009 0.000 2.259 225 D HA 0.223 4.860 4.640 -0.006 0.000 0.216 225 D C 0.471 176.775 176.300 0.006 0.000 0.961 225 D CA 1.308 55.310 54.000 0.002 0.000 0.878 225 D CB 0.952 41.738 40.800 -0.025 0.000 1.009 225 D HN 0.330 nan 8.370 nan 0.000 0.490 226 I N 0.523 121.085 120.570 -0.013 0.000 2.499 226 I HA 0.229 4.395 4.170 -0.006 0.000 0.288 226 I C -1.277 174.915 176.117 0.125 0.000 1.048 226 I CA -0.868 60.429 61.300 -0.006 0.000 1.062 226 I CB 2.372 40.255 38.000 -0.195 0.000 1.238 226 I HN -0.260 nan 8.210 nan 0.000 0.426 227 F N 7.750 127.710 119.950 0.017 0.000 2.325 227 F HA 0.571 5.095 4.527 -0.005 0.000 0.369 227 F C -0.455 175.410 175.800 0.109 0.000 1.095 227 F CA -0.674 57.369 58.000 0.071 0.000 1.082 227 F CB 0.733 39.801 39.000 0.114 0.000 1.289 227 F HN 0.216 nan 8.300 nan 0.000 0.462 228 I N 5.476 125.938 120.570 -0.180 0.000 2.331 228 I HA 0.362 4.528 4.170 -0.006 0.000 0.292 228 I C 0.175 176.122 176.117 -0.283 0.000 0.998 228 I CA -0.207 61.018 61.300 -0.125 0.000 1.267 228 I CB 1.507 39.493 38.000 -0.023 0.000 1.386 228 I HN 0.621 nan 8.210 nan 0.000 0.476 229 T N 1.832 116.269 114.554 -0.196 0.000 2.888 229 T HA 0.929 5.276 4.350 -0.006 0.000 0.288 229 T C -0.173 174.428 174.700 -0.166 0.000 1.063 229 T CA -0.619 61.313 62.100 -0.279 0.000 1.010 229 T CB 2.329 70.967 68.868 -0.383 0.000 1.214 229 T HN 0.739 nan 8.240 nan 0.000 0.533 230 G N -1.147 107.491 108.800 -0.270 0.000 2.694 230 G HA2 0.500 4.456 3.960 -0.006 0.000 0.246 230 G HA3 0.500 4.456 3.960 -0.006 0.000 0.246 230 G C 0.055 174.794 174.900 -0.269 0.000 1.205 230 G CA 0.995 45.976 45.100 -0.198 0.000 0.891 230 G HN 1.441 nan 8.290 nan 0.000 0.515 231 H N -1.426 117.362 119.070 -0.469 0.000 4.923 231 H HA -0.242 4.310 4.556 -0.006 0.000 0.073 231 H C 1.744 177.018 175.328 -0.090 0.000 0.574 231 H CA 2.927 58.778 56.048 -0.328 0.000 1.046 231 H CB -1.095 28.367 29.762 -0.500 0.000 0.465 231 H HN 0.415 nan 8.280 nan 0.000 0.757 232 Q N -0.191 119.523 119.800 -0.143 0.000 2.425 232 Q HA 0.090 4.427 4.340 -0.006 0.000 0.204 232 Q C 0.023 176.033 176.000 0.017 0.000 0.933 232 Q CA 0.652 56.360 55.803 -0.158 0.000 0.939 232 Q CB 0.317 29.035 28.738 -0.033 0.000 1.044 232 Q HN 0.780 nan 8.270 nan 0.000 0.513 233 H N -1.011 118.052 119.070 -0.012 0.000 2.899 233 H HA -0.159 4.394 4.556 -0.005 0.000 0.282 233 H C -0.349 175.005 175.328 0.043 0.000 1.198 233 H CA -0.164 55.904 56.048 0.034 0.000 1.140 233 H CB -1.047 28.739 29.762 0.040 0.000 1.317 233 H HN 0.213 nan 8.280 nan 0.000 0.375 234 R N 0.888 121.485 120.500 0.162 0.000 2.549 234 R HA 0.368 4.705 4.340 -0.006 0.000 0.267 234 R C 0.150 176.522 176.300 0.120 0.000 1.045 234 R CA -0.491 55.688 56.100 0.132 0.000 1.115 234 R CB 0.983 31.369 30.300 0.144 0.000 1.121 234 R HN 0.216 nan 8.270 nan 0.000 0.543 235 Q N 1.758 121.620 119.800 0.103 0.000 2.431 235 Q HA 0.401 4.738 4.340 -0.006 0.000 0.249 235 Q C -0.835 175.227 176.000 0.103 0.000 1.025 235 Q CA -0.058 55.800 55.803 0.093 0.000 0.835 235 Q CB 1.108 29.888 28.738 0.070 0.000 1.207 235 Q HN 0.383 nan 8.270 nan 0.000 0.490 236 I N 1.385 122.030 120.570 0.125 0.000 2.533 236 I HA 0.691 4.858 4.170 -0.006 0.000 0.290 236 I C -0.822 175.371 176.117 0.127 0.000 1.056 236 I CA -0.870 60.511 61.300 0.135 0.000 1.057 236 I CB 2.170 40.292 38.000 0.203 0.000 1.240 236 I HN 0.532 nan 8.210 nan 0.000 0.423 237 A N 6.256 129.138 122.820 0.104 0.000 2.667 237 A HA 0.640 4.956 4.320 -0.006 0.000 0.291 237 A C -0.715 176.917 177.584 0.081 0.000 1.123 237 A CA -0.439 51.655 52.037 0.094 0.000 0.832 237 A CB 0.751 19.798 19.000 0.078 0.000 1.396 237 A HN 0.820 nan 8.150 nan 0.000 0.401 238 E N 1.237 121.491 120.200 0.090 0.000 2.425 238 E HA 0.663 5.009 4.350 -0.006 0.000 0.272 238 E C -1.280 175.374 176.600 0.090 0.000 1.061 238 E CA -1.276 55.169 56.400 0.075 0.000 0.877 238 E CB 0.935 30.672 29.700 0.063 0.000 1.590 238 E HN 0.282 nan 8.360 nan 0.000 0.462 239 R N 0.622 121.166 120.500 0.074 0.000 2.460 239 R HA 0.458 4.795 4.340 -0.006 0.000 0.303 239 R C -1.245 175.116 176.300 0.101 0.000 0.968 239 R CA -0.709 55.440 56.100 0.082 0.000 0.889 239 R CB 0.587 30.910 30.300 0.040 0.000 1.123 239 R HN 0.563 nan 8.270 nan 0.000 0.455 240 F N 3.937 123.874 119.950 -0.022 0.000 2.325 240 F HA 0.248 4.771 4.527 -0.006 0.000 0.369 240 F C 0.540 176.308 175.800 -0.054 0.000 1.095 240 F CA -0.123 57.842 58.000 -0.058 0.000 1.082 240 F CB 0.352 39.292 39.000 -0.099 0.000 1.289 240 F HN 0.605 nan 8.300 nan 0.000 0.462 241 K N 1.814 122.007 120.400 -0.345 0.000 1.751 241 K HA -0.296 4.021 4.320 -0.006 0.000 0.134 241 K C 0.756 177.323 176.600 -0.054 0.000 1.167 241 K CA 1.668 57.828 56.287 -0.213 0.000 0.330 241 K CB -0.817 31.562 32.500 -0.202 0.000 0.663 241 K HN 0.538 nan 8.250 nan 0.000 0.817 242 Q N 0.785 120.583 119.800 -0.003 0.000 2.392 242 Q HA 0.102 4.439 4.340 -0.006 0.000 0.203 242 Q C 0.075 176.106 176.000 0.052 0.000 0.917 242 Q CA 0.784 56.598 55.803 0.019 0.000 0.939 242 Q CB 0.598 29.343 28.738 0.012 0.000 1.063 242 Q HN 0.446 nan 8.270 nan 0.000 0.516 243 T N 1.739 116.350 114.554 0.094 0.000 2.851 243 T HA 0.385 4.732 4.350 -0.006 0.000 0.298 243 T C -0.016 174.760 174.700 0.126 0.000 0.977 243 T CA -0.233 61.934 62.100 0.112 0.000 1.126 243 T CB 1.057 70.007 68.868 0.136 0.000 0.916 243 T HN 0.147 nan 8.240 nan 0.000 0.529 244 A N 3.835 126.716 122.820 0.102 0.000 2.354 244 A HA 0.528 4.845 4.320 -0.006 0.000 0.281 244 A C 0.004 177.684 177.584 0.161 0.000 1.174 244 A CA -0.530 51.569 52.037 0.104 0.000 0.828 244 A CB 0.051 19.087 19.000 0.061 0.000 1.099 244 A HN 0.697 nan 8.150 nan 0.000 0.516 245 V N 4.960 124.987 119.914 0.188 0.000 2.417 245 V HA 0.475 4.592 4.120 -0.006 0.000 0.291 245 V C -0.159 176.067 176.094 0.219 0.000 1.024 245 V CA -0.442 62.023 62.300 0.275 0.000 0.861 245 V CB 1.318 33.316 31.823 0.292 0.000 0.985 245 V HN 0.743 nan 8.190 nan 0.000 0.436 246 I N 4.224 124.926 120.570 0.220 0.000 2.619 246 I HA 0.501 4.668 4.170 -0.006 0.000 0.292 246 I C -0.639 175.576 176.117 0.163 0.000 1.100 246 I CA -0.396 61.001 61.300 0.161 0.000 1.043 246 I CB 2.260 40.322 38.000 0.104 0.000 1.239 246 I HN 0.708 nan 8.210 nan 0.000 0.420 247 Q N 7.894 127.790 119.800 0.159 0.000 2.295 247 Q HA 0.413 4.749 4.340 -0.006 0.000 0.259 247 Q C -2.462 173.603 176.000 0.108 0.000 0.966 247 Q CA -1.333 54.547 55.803 0.129 0.000 0.763 247 Q CB 2.827 31.669 28.738 0.174 0.000 1.283 247 Q HN 0.248 nan 8.270 nan 0.000 0.445 248 P HA 0.197 nan 4.420 nan 0.000 0.231 248 P C 0.553 177.893 177.300 0.067 0.000 1.833 248 P CA 0.736 63.886 63.100 0.082 0.000 1.023 248 P CB 0.403 32.157 31.700 0.089 0.000 1.643 249 G N -0.020 108.821 108.800 0.068 0.000 2.550 249 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.277 249 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.277 249 G C -0.556 174.335 174.900 -0.016 0.000 1.190 249 G CA 0.327 45.452 45.100 0.042 0.000 0.971 249 G HN 0.645 nan 8.290 nan 0.000 0.559 250 T N -1.380 113.128 114.554 -0.077 0.000 2.802 250 T HA 0.584 4.930 4.350 -0.006 0.000 0.311 250 T C 0.287 174.925 174.700 -0.103 0.000 1.405 250 T CA 0.784 62.788 62.100 -0.159 0.000 1.016 250 T CB 1.002 69.559 68.868 -0.517 0.000 1.352 250 T HN 1.594 nan 8.240 nan 0.000 0.498 251 R N 1.112 121.583 120.500 -0.048 0.000 3.863 251 R HA -0.198 4.139 4.340 -0.006 0.000 0.313 251 R C 0.976 177.264 176.300 -0.020 0.000 1.202 251 R CA 1.019 57.090 56.100 -0.048 0.000 0.852 251 R CB -2.164 27.945 30.300 -0.320 0.000 1.292 251 R HN 1.623 nan 8.270 nan 0.000 0.519 252 G N -0.323 108.482 108.800 0.007 0.000 2.198 252 G HA2 -0.387 3.570 3.960 -0.006 0.000 0.260 252 G HA3 -0.387 3.570 3.960 -0.006 0.000 0.260 252 G C 0.785 175.664 174.900 -0.036 0.000 1.025 252 G CA 1.154 46.252 45.100 -0.003 0.000 0.769 252 G HN 0.643 nan 8.290 nan 0.000 0.507 253 T N -2.984 111.546 114.554 -0.039 0.000 2.985 253 T HA 0.336 4.682 4.350 -0.006 0.000 0.266 253 T C 1.189 175.878 174.700 -0.018 0.000 1.076 253 T CA 1.942 64.016 62.100 -0.044 0.000 1.135 253 T CB 0.128 68.968 68.868 -0.047 0.000 0.890 253 T HN 1.685 nan 8.240 nan 0.000 0.480 254 T N -1.329 113.227 114.554 0.003 0.000 2.843 254 T HA 0.676 5.022 4.350 -0.006 0.000 0.302 254 T C -1.389 173.339 174.700 0.047 0.000 1.232 254 T CA -0.857 61.259 62.100 0.025 0.000 1.009 254 T CB 2.076 70.966 68.868 0.036 0.000 1.254 254 T HN -0.004 nan 8.240 nan 0.000 0.504 255 V N 0.834 120.789 119.914 0.067 0.000 2.588 255 V HA 0.761 4.877 4.120 -0.006 0.000 0.304 255 V C 0.819 176.985 176.094 0.120 0.000 1.042 255 V CA -0.627 61.735 62.300 0.103 0.000 0.877 255 V CB 1.764 33.657 31.823 0.117 0.000 0.996 255 V HN 1.312 nan 8.190 nan 0.000 0.425 256 G N 3.286 112.160 108.800 0.123 0.000 2.390 256 G HA2 0.580 4.536 3.960 -0.006 0.000 0.270 256 G HA3 0.580 4.536 3.960 -0.006 0.000 0.270 256 G C -0.445 174.502 174.900 0.079 0.000 1.211 256 G CA -0.368 44.791 45.100 0.099 0.000 0.842 256 G HN 0.668 nan 8.290 nan 0.000 0.519 257 R N 1.997 122.504 120.500 0.013 0.000 2.502 257 R HA 0.518 4.855 4.340 -0.006 0.000 0.300 257 R C -1.561 174.675 176.300 -0.107 0.000 0.984 257 R CA -0.477 55.534 56.100 -0.149 0.000 0.882 257 R CB 1.982 32.165 30.300 -0.195 0.000 1.180 257 R HN 0.348 nan 8.270 nan 0.000 0.444 258 V N 5.017 124.872 119.914 -0.099 0.000 2.495 258 V HA 0.453 4.569 4.120 -0.006 0.000 0.298 258 V C -0.431 175.639 176.094 -0.040 0.000 1.031 258 V CA -0.771 61.514 62.300 -0.026 0.000 0.871 258 V CB 1.919 33.752 31.823 0.017 0.000 0.988 258 V HN 0.485 nan 8.190 nan 0.000 0.432 259 V N 6.182 126.056 119.914 -0.067 0.000 2.459 259 V HA 0.548 4.665 4.120 -0.006 0.000 0.295 259 V C -0.261 175.852 176.094 0.031 0.000 1.029 259 V CA -0.530 61.706 62.300 -0.105 0.000 0.874 259 V CB 1.798 33.511 31.823 -0.184 0.000 0.985 259 V HN 0.633 nan 8.190 nan 0.000 0.438 260 L N 4.141 125.415 121.223 0.085 0.000 2.334 260 L HA 0.846 5.182 4.340 -0.006 0.000 0.273 260 L C 0.015 176.945 176.870 0.100 0.000 1.013 260 L CA -0.285 54.622 54.840 0.112 0.000 0.816 260 L CB 2.169 44.332 42.059 0.174 0.000 1.278 260 L HN 0.806 nan 8.230 nan 0.000 0.431 261 S N -0.634 115.122 115.700 0.095 0.000 2.564 261 S HA 0.659 5.126 4.470 -0.006 0.000 0.274 261 S C -0.417 174.237 174.600 0.089 0.000 1.124 261 S CA -0.729 57.528 58.200 0.096 0.000 0.869 261 S CB 1.881 65.139 63.200 0.096 0.000 1.105 261 S HN 0.663 nan 8.310 nan 0.000 0.472 262 T N 0.224 114.831 114.554 0.087 0.000 2.849 262 T HA 0.533 4.880 4.350 -0.006 0.000 0.284 262 T C -0.473 174.278 174.700 0.086 0.000 1.004 262 T CA -0.451 61.700 62.100 0.086 0.000 1.021 262 T CB 0.249 69.165 68.868 0.080 0.000 1.013 262 T HN 0.630 nan 8.240 nan 0.000 0.527 263 D N 0.216 120.679 120.400 0.105 0.000 2.539 263 D HA 0.250 4.886 4.640 -0.006 0.000 0.280 263 D C 1.216 177.555 176.300 0.064 0.000 1.208 263 D CA -0.656 53.416 54.000 0.120 0.000 1.088 263 D CB 0.516 41.465 40.800 0.247 0.000 1.149 263 D HN 0.762 nan 8.370 nan 0.000 0.596 264 E N -0.736 119.457 120.200 -0.011 0.000 2.112 264 E HA -0.131 4.216 4.350 -0.006 0.000 0.190 264 E C 1.601 178.122 176.600 -0.131 0.000 0.979 264 E CA 1.215 57.541 56.400 -0.124 0.000 0.814 264 E CB -0.340 29.211 29.700 -0.248 0.000 0.762 264 E HN 0.461 nan 8.360 nan 0.000 0.460 265 Y N 0.643 120.955 120.300 0.020 0.000 2.483 265 Y HA -0.031 4.516 4.550 -0.006 0.000 0.291 265 Y C 0.959 176.871 175.900 0.021 0.000 1.143 265 Y CA 1.352 59.463 58.100 0.019 0.000 1.289 265 Y CB -0.019 38.452 38.460 0.017 0.000 0.983 265 Y HN 0.149 nan 8.280 nan 0.000 0.556 266 E N -0.028 120.264 120.200 0.152 0.000 3.169 266 E HA -0.194 4.153 4.350 -0.006 0.000 0.305 266 E C -1.194 175.469 176.600 0.105 0.000 0.912 266 E CA -0.073 56.389 56.400 0.103 0.000 1.029 266 E CB -1.286 28.461 29.700 0.078 0.000 1.514 266 E HN 0.343 nan 8.360 nan 0.000 0.412 267 N N 0.832 119.607 118.700 0.125 0.000 2.430 267 N HA 0.341 5.078 4.740 -0.006 0.000 0.292 267 N C -0.082 175.477 175.510 0.082 0.000 1.051 267 N CA -0.337 52.766 53.050 0.089 0.000 0.917 267 N CB 1.135 39.663 38.487 0.068 0.000 1.164 267 N HN 0.146 nan 8.380 nan 0.000 0.484 268 L N 1.393 122.658 121.223 0.070 0.000 2.416 268 L HA 0.219 4.556 4.340 -0.006 0.000 0.272 268 L C 0.771 177.679 176.870 0.063 0.000 1.161 268 L CA 0.102 54.987 54.840 0.074 0.000 0.845 268 L CB 0.462 42.569 42.059 0.079 0.000 1.119 268 L HN 0.629 nan 8.230 nan 0.000 0.464 269 S N 1.486 117.226 115.700 0.068 0.000 2.564 269 S HA 0.534 5.001 4.470 -0.006 0.000 0.274 269 S C -0.710 173.926 174.600 0.060 0.000 1.124 269 S CA -1.002 57.231 58.200 0.056 0.000 0.869 269 S CB 1.688 64.921 63.200 0.054 0.000 1.105 269 S HN 0.159 nan 8.310 nan 0.000 0.472 270 V N 2.306 122.250 119.914 0.049 0.000 2.529 270 V HA 0.149 4.265 4.120 -0.006 0.000 0.292 270 V C 1.474 177.599 176.094 0.051 0.000 1.028 270 V CA 0.642 62.971 62.300 0.049 0.000 1.074 270 V CB 0.566 32.413 31.823 0.041 0.000 0.958 270 V HN 1.126 nan 8.190 nan 0.000 0.481 271 E N 3.281 123.514 120.200 0.055 0.000 2.206 271 E HA 0.091 4.438 4.350 -0.006 0.000 0.195 271 E C 0.600 177.231 176.600 0.053 0.000 0.935 271 E CA 0.717 57.152 56.400 0.058 0.000 0.875 271 E CB 0.706 30.450 29.700 0.073 0.000 0.841 271 E HN 0.827 nan 8.360 nan 0.000 0.477 272 S N -1.089 114.637 115.700 0.043 0.000 2.570 272 S HA 0.526 4.993 4.470 -0.006 0.000 0.270 272 S C -1.214 173.403 174.600 0.028 0.000 1.149 272 S CA -0.944 57.280 58.200 0.040 0.000 0.837 272 S CB 1.807 65.037 63.200 0.051 0.000 1.124 272 S HN 0.192 nan 8.310 nan 0.000 0.465 273 C N 2.437 121.758 119.300 0.035 0.000 2.727 273 C HA 0.833 5.289 4.460 -0.006 0.000 0.369 273 C C -1.104 173.914 174.990 0.045 0.000 1.067 273 C CA 0.194 59.235 59.018 0.037 0.000 1.273 273 C CB -0.322 27.449 27.740 0.051 0.000 1.778 273 C HN 1.189 nan 8.230 nan 0.000 0.467 274 E N 5.022 125.247 120.200 0.043 0.000 2.439 274 E HA 0.572 4.919 4.350 -0.006 0.000 0.279 274 E C -1.856 174.779 176.600 0.058 0.000 1.077 274 E CA -0.972 55.459 56.400 0.052 0.000 0.849 274 E CB 1.155 30.886 29.700 0.052 0.000 1.408 274 E HN 0.563 nan 8.360 nan 0.000 0.457 275 L N 1.428 122.688 121.223 0.063 0.000 2.307 275 L HA 0.484 4.821 4.340 -0.006 0.000 0.284 275 L C -0.429 176.481 176.870 0.067 0.000 1.023 275 L CA -1.019 53.861 54.840 0.068 0.000 0.810 275 L CB 1.125 43.223 42.059 0.065 0.000 1.231 275 L HN 0.382 nan 8.230 nan 0.000 0.423 276 L N 5.066 126.336 121.223 0.078 0.000 2.295 276 L HA 0.474 4.810 4.340 -0.006 0.000 0.285 276 L C -2.103 174.799 176.870 0.053 0.000 1.035 276 L CA -1.895 52.991 54.840 0.075 0.000 0.806 276 L CB 1.495 43.619 42.059 0.108 0.000 1.214 276 L HN 0.326 nan 8.230 nan 0.000 0.426 277 P HA 0.106 nan 4.420 nan 0.000 0.275 277 P C -0.611 176.693 177.300 0.007 0.000 1.227 277 P CA -0.301 62.812 63.100 0.021 0.000 0.781 277 P CB 1.414 33.125 31.700 0.019 0.000 0.906 278 V N 4.963 124.870 119.914 -0.012 0.000 2.432 278 V HA 0.285 4.401 4.120 -0.006 0.000 0.271 278 V C 0.773 176.840 176.094 -0.044 0.000 1.046 278 V CA -0.124 62.152 62.300 -0.041 0.000 0.945 278 V CB 0.090 31.874 31.823 -0.065 0.000 0.992 278 V HN 0.438 nan 8.190 nan 0.000 0.471 279 I N 0.731 121.277 120.570 -0.041 0.000 2.934 279 I HA 0.726 4.893 4.170 -0.006 0.000 0.306 279 I C -0.662 175.438 176.117 -0.028 0.000 1.110 279 I CA -0.966 60.322 61.300 -0.020 0.000 1.019 279 I CB 2.289 40.293 38.000 0.006 0.000 1.227 279 I HN 0.437 nan 8.210 nan 0.000 0.434 280 D N 2.702 123.111 120.400 0.015 0.000 2.344 280 D HA 0.457 5.094 4.640 -0.006 0.000 0.244 280 D C -1.169 175.171 176.300 0.067 0.000 1.134 280 D CA 0.547 54.579 54.000 0.053 0.000 0.930 280 D CB 1.066 41.960 40.800 0.156 0.000 1.175 280 D HN 0.836 nan 8.370 nan 0.000 0.437 281 D N -0.814 119.650 120.400 0.106 0.000 2.622 281 D HA 0.177 4.814 4.640 -0.006 0.000 0.255 281 D C -0.276 176.103 176.300 0.132 0.000 1.246 281 D CA -0.679 53.391 54.000 0.117 0.000 0.795 281 D CB 0.634 41.523 40.800 0.148 0.000 1.369 281 D HN 0.124 nan 8.370 nan 0.000 0.425 282 S N -0.822 114.936 115.700 0.097 0.000 2.474 282 S HA -0.064 4.402 4.470 -0.006 0.000 0.235 282 S C 1.634 176.284 174.600 0.083 0.000 0.997 282 S CA 1.470 59.713 58.200 0.072 0.000 0.949 282 S CB -0.491 62.736 63.200 0.044 0.000 0.766 282 S HN 0.748 nan 8.310 nan 0.000 0.517 283 T N -1.206 113.433 114.554 0.140 0.000 3.065 283 T HA 0.203 4.549 4.350 -0.006 0.000 0.252 283 T C 0.323 175.074 174.700 0.084 0.000 1.099 283 T CA -0.294 61.893 62.100 0.146 0.000 1.063 283 T CB -0.422 68.588 68.868 0.236 0.000 0.948 283 T HN 0.212 nan 8.240 nan 0.000 0.506 284 F N 4.403 124.235 119.950 -0.196 0.000 2.467 284 F HA 0.474 5.000 4.527 -0.002 0.000 0.362 284 F C 0.344 176.032 175.800 -0.187 0.000 1.090 284 F CA -0.468 57.255 58.000 -0.462 0.000 1.202 284 F CB 0.638 39.353 39.000 -0.475 0.000 1.113 284 F HN 0.244 nan 8.300 nan 0.000 0.541 285 T N 4.705 118.754 114.554 -0.843 0.000 2.896 285 T HA 0.698 5.044 4.350 -0.006 0.000 0.297 285 T C -0.777 173.425 174.700 -0.831 0.000 1.108 285 T CA -0.895 60.805 62.100 -0.668 0.000 1.004 285 T CB 1.531 70.218 68.868 -0.302 0.000 1.159 285 T HN 0.513 nan 8.240 nan 0.000 0.499 286 I N 2.054 122.326 120.570 -0.498 0.000 2.406 286 I HA 0.321 4.488 4.170 -0.006 0.000 0.290 286 I C -0.474 175.573 176.117 -0.116 0.000 0.999 286 I CA -1.005 60.124 61.300 -0.285 0.000 1.124 286 I CB 1.672 39.593 38.000 -0.132 0.000 1.289 286 I HN 0.672 nan 8.210 nan 0.000 0.441 287 D N 4.301 124.668 120.400 -0.054 0.000 2.419 287 D HA -0.080 4.556 4.640 -0.006 0.000 0.236 287 D C 1.038 177.348 176.300 0.017 0.000 1.165 287 D CA 0.212 54.202 54.000 -0.017 0.000 0.882 287 D CB 0.814 41.616 40.800 0.004 0.000 1.201 287 D HN 0.524 nan 8.370 nan 0.000 0.443 288 E N 0.816 121.020 120.200 0.007 0.000 2.110 288 E HA -0.184 4.162 4.350 -0.006 0.000 0.193 288 E C 0.832 177.470 176.600 0.063 0.000 0.988 288 E CA 1.427 57.841 56.400 0.024 0.000 0.804 288 E CB 0.022 29.723 29.700 0.002 0.000 0.745 288 E HN 0.328 nan 8.360 nan 0.000 0.458 289 D N 0.378 120.810 120.400 0.054 0.000 2.144 289 D HA -0.131 4.506 4.640 -0.006 0.000 0.199 289 D C 1.294 177.692 176.300 0.162 0.000 0.984 289 D CA 1.264 55.314 54.000 0.085 0.000 0.834 289 D CB -0.315 40.506 40.800 0.034 0.000 0.955 289 D HN 0.263 nan 8.370 nan 0.000 0.465 290 D N 0.467 120.973 120.400 0.176 0.000 2.117 290 D HA -0.106 4.530 4.640 -0.006 0.000 0.198 290 D C 2.084 178.550 176.300 0.277 0.000 0.982 290 D CA 0.728 54.927 54.000 0.332 0.000 0.828 290 D CB -0.278 40.749 40.800 0.379 0.000 0.967 290 D HN 0.327 nan 8.370 nan 0.000 0.464 291 Q N -0.637 119.252 119.800 0.149 0.000 2.170 291 Q HA -0.182 4.154 4.340 -0.006 0.000 0.203 291 Q C 1.926 177.935 176.000 0.014 0.000 0.976 291 Q CA 1.128 56.957 55.803 0.043 0.000 0.858 291 Q CB -0.164 28.594 28.738 0.034 0.000 0.907 291 Q HN 0.470 nan 8.270 nan 0.000 0.433 292 H N 0.530 119.597 119.070 -0.004 0.000 2.357 292 H HA -0.114 4.441 4.556 -0.003 0.000 0.301 292 H C 1.845 177.156 175.328 -0.030 0.000 1.082 292 H CA 1.193 57.233 56.048 -0.013 0.000 1.342 292 H CB -0.014 29.752 29.762 0.008 0.000 1.389 292 H HN 0.163 nan 8.280 nan 0.000 0.511 293 L N 0.683 121.907 121.223 0.002 0.000 2.017 293 L HA -0.091 4.245 4.340 -0.006 0.000 0.208 293 L C 2.535 179.237 176.870 -0.281 0.000 1.073 293 L CA 2.006 56.816 54.840 -0.050 0.000 0.745 293 L CB -0.812 41.374 42.059 0.211 0.000 0.894 293 L HN 0.215 nan 8.230 nan 0.000 0.432 294 R N 0.204 120.437 120.500 -0.445 0.000 2.091 294 R HA -0.233 4.104 4.340 -0.006 0.000 0.238 294 R C 2.419 178.477 176.300 -0.403 0.000 1.136 294 R CA 2.212 57.860 56.100 -0.754 0.000 0.959 294 R CB -0.533 29.172 30.300 -0.993 0.000 0.856 294 R HN 0.480 nan 8.270 nan 0.000 0.437 295 K N 0.016 120.235 120.400 -0.301 0.000 2.026 295 K HA -0.205 4.112 4.320 -0.006 0.000 0.208 295 K C 2.107 178.582 176.600 -0.210 0.000 1.048 295 K CA 1.923 58.082 56.287 -0.212 0.000 0.929 295 K CB -0.065 32.330 32.500 -0.176 0.000 0.713 295 K HN 0.382 nan 8.250 nan 0.000 0.439 296 Q N 0.402 120.016 119.800 -0.308 0.000 2.096 296 Q HA -0.196 4.140 4.340 -0.006 0.000 0.204 296 Q C 2.164 178.017 176.000 -0.245 0.000 0.982 296 Q CA 1.470 57.131 55.803 -0.236 0.000 0.850 296 Q CB -0.176 28.406 28.738 -0.259 0.000 0.901 296 Q HN 0.258 nan 8.270 nan 0.000 0.422 297 L N 1.199 122.156 121.223 -0.443 0.000 2.017 297 L HA -0.182 4.154 4.340 -0.006 0.000 0.208 297 L C 1.997 178.850 176.870 -0.028 0.000 1.073 297 L CA 1.868 56.442 54.840 -0.442 0.000 0.745 297 L CB -0.414 41.384 42.059 -0.434 0.000 0.894 297 L HN 0.093 nan 8.230 nan 0.000 0.432 298 E N -0.104 120.077 120.200 -0.031 0.000 2.077 298 E HA -0.199 4.147 4.350 -0.006 0.000 0.193 298 E C 1.915 178.567 176.600 0.087 0.000 0.989 298 E CA 1.348 57.782 56.400 0.056 0.000 0.800 298 E CB -0.439 29.270 29.700 0.015 0.000 0.746 298 E HN 0.583 nan 8.360 nan 0.000 0.452 299 D N -0.009 120.437 120.400 0.077 0.000 2.144 299 D HA -0.166 4.470 4.640 -0.006 0.000 0.199 299 D C 1.662 178.100 176.300 0.230 0.000 0.984 299 D CA 0.722 54.796 54.000 0.123 0.000 0.834 299 D CB -0.478 40.384 40.800 0.104 0.000 0.955 299 D HN 0.281 nan 8.370 nan 0.000 0.465 300 W N 1.451 122.810 121.300 0.099 0.000 2.388 300 W HA -0.045 4.611 4.660 -0.007 0.000 0.294 300 W C 1.923 178.551 176.519 0.182 0.000 1.212 300 W CA 0.877 58.336 57.345 0.190 0.000 1.271 300 W CB -0.348 29.304 29.460 0.321 0.000 1.126 300 W HN -0.105 nan 8.180 nan 0.000 0.535 301 L N 0.369 121.662 121.223 0.118 0.000 2.141 301 L HA -0.173 4.164 4.340 -0.006 0.000 0.209 301 L C 1.577 178.412 176.870 -0.058 0.000 1.094 301 L CA 1.303 56.094 54.840 -0.080 0.000 0.763 301 L CB -0.722 41.365 42.059 0.046 0.000 0.908 301 L HN -0.151 nan 8.230 nan 0.000 0.437 302 D N -1.154 119.257 120.400 0.018 0.000 2.349 302 D HA -0.092 4.545 4.640 -0.006 0.000 0.224 302 D C 0.427 176.723 176.300 -0.006 0.000 1.029 302 D CA 0.200 54.204 54.000 0.007 0.000 0.879 302 D CB -0.175 40.641 40.800 0.026 0.000 0.906 302 D HN 0.173 nan 8.370 nan 0.000 0.528 303 Y N 2.412 122.643 120.300 -0.114 0.000 2.729 303 Y HA -0.059 4.487 4.550 -0.007 0.000 0.331 303 Y C 0.611 176.440 175.900 -0.118 0.000 1.208 303 Y CA -0.213 57.823 58.100 -0.106 0.000 1.521 303 Y CB 0.255 38.625 38.460 -0.149 0.000 1.233 303 Y HN -0.169 nan 8.280 nan 0.000 0.539 304 E N 6.745 126.518 120.200 -0.712 0.000 2.223 304 E HA 0.080 4.427 4.350 -0.006 0.000 0.282 304 E C 0.249 176.493 176.600 -0.594 0.000 1.046 304 E CA -0.446 55.645 56.400 -0.516 0.000 0.857 304 E CB 0.462 29.936 29.700 -0.377 0.000 1.055 304 E HN 0.792 nan 8.360 nan 0.000 0.409 305 I N 2.993 123.398 120.570 -0.275 0.000 2.296 305 I HA -0.002 4.165 4.170 -0.006 0.000 0.242 305 I C 1.362 177.399 176.117 -0.134 0.000 1.087 305 I CA 0.960 62.187 61.300 -0.121 0.000 1.393 305 I CB -0.642 37.308 38.000 -0.084 0.000 1.093 305 I HN 0.550 nan 8.210 nan 0.000 0.421 306 T N -0.816 113.635 114.554 -0.171 0.000 2.686 306 T HA 0.289 4.635 4.350 -0.006 0.000 0.308 306 T C -1.107 173.499 174.700 -0.158 0.000 1.667 306 T CA -0.374 61.640 62.100 -0.143 0.000 0.987 306 T CB 1.521 70.323 68.868 -0.110 0.000 1.652 306 T HN -0.024 nan 8.240 nan 0.000 0.496 307 T N 2.485 116.961 114.554 -0.130 0.000 2.823 307 T HA 0.702 5.049 4.350 -0.006 0.000 0.279 307 T C -0.482 174.137 174.700 -0.135 0.000 0.998 307 T CA -0.502 61.524 62.100 -0.124 0.000 0.994 307 T CB 0.634 69.444 68.868 -0.097 0.000 0.960 307 T HN 0.414 nan 8.240 nan 0.000 0.448 308 L N 4.763 125.892 121.223 -0.157 0.000 2.344 308 L HA 0.411 4.747 4.340 -0.006 0.000 0.272 308 L C -1.051 175.694 176.870 -0.209 0.000 1.035 308 L CA -2.327 52.379 54.840 -0.223 0.000 0.807 308 L CB 1.538 43.428 42.059 -0.282 0.000 1.237 308 L HN 0.423 nan 8.230 nan 0.000 0.442 309 P HA -0.087 nan 4.420 nan 0.000 0.220 309 P C -0.652 176.623 177.300 -0.041 0.000 1.152 309 P CA 1.366 64.386 63.100 -0.133 0.000 0.812 309 P CB 0.105 31.757 31.700 -0.080 0.000 0.792 310 Y N -1.726 118.579 120.300 0.009 0.000 2.634 310 Y HA 0.727 5.273 4.550 -0.005 0.000 0.340 310 Y C -0.165 175.749 175.900 0.023 0.000 1.058 310 Y CA -2.021 56.086 58.100 0.012 0.000 1.081 310 Y CB -0.135 38.331 38.460 0.011 0.000 1.295 310 Y HN -0.320 nan 8.280 nan 0.000 0.487 314 I N 3.290 123.806 120.570 -0.089 0.000 2.330 314 I HA 0.278 4.445 4.170 -0.006 0.000 0.286 314 I C 0.637 176.705 176.117 -0.083 0.000 1.025 314 I CA -0.697 60.501 61.300 -0.169 0.000 1.197 314 I CB 1.306 39.101 38.000 -0.343 0.000 1.358 314 I HN 0.570 nan 8.210 nan 0.000 0.467 315 N N 3.420 122.125 118.700 0.007 0.000 2.148 315 N HA -0.030 4.706 4.740 -0.006 0.000 0.186 315 N C 0.022 175.360 175.510 -0.286 0.000 1.031 315 N CA 1.274 54.274 53.050 -0.083 0.000 0.848 315 N CB 0.013 38.549 38.487 0.083 0.000 1.005 315 N HN 0.532 nan 8.380 nan 0.000 0.427 316 H N -0.842 118.247 119.070 0.032 0.000 2.708 316 H HA 0.527 5.079 4.556 -0.005 0.000 0.320 316 H C 0.517 175.873 175.328 0.046 0.000 0.991 316 H CA -0.274 55.807 56.048 0.056 0.000 1.243 316 H CB 1.603 31.424 29.762 0.098 0.000 1.446 316 H HN 0.076 nan 8.280 nan 0.000 0.502 317 A N 3.437 126.316 122.820 0.098 0.000 1.908 317 A HA -0.248 4.069 4.320 -0.006 0.000 0.218 317 A C 1.923 179.584 177.584 0.129 0.000 1.181 317 A CA 1.599 53.664 52.037 0.047 0.000 0.627 317 A CB -0.721 18.268 19.000 -0.017 0.000 0.818 317 A HN 0.761 nan 8.150 nan 0.000 0.445 318 F N 0.806 120.806 119.950 0.083 0.000 2.171 318 F HA -0.172 4.351 4.527 -0.006 0.000 0.300 318 F C 2.238 178.133 175.800 0.157 0.000 1.090 318 F CA 2.001 60.082 58.000 0.134 0.000 1.293 318 F CB 0.035 39.111 39.000 0.127 0.000 1.013 318 F HN 0.226 nan 8.300 nan 0.000 0.486 319 E N 0.476 120.741 120.200 0.108 0.000 2.150 319 E HA -0.140 4.206 4.350 -0.006 0.000 0.193 319 E C 2.174 178.776 176.600 0.004 0.000 0.985 319 E CA 1.040 57.445 56.400 0.009 0.000 0.814 319 E CB -0.538 29.233 29.700 0.120 0.000 0.752 319 E HN 0.493 nan 8.360 nan 0.000 0.466 320 A N 0.725 123.568 122.820 0.039 0.000 2.238 320 A HA 0.009 4.326 4.320 -0.006 0.000 0.208 320 A C 1.889 179.559 177.584 0.143 0.000 1.177 320 A CA 0.256 52.333 52.037 0.066 0.000 0.804 320 A CB -0.058 18.860 19.000 -0.137 0.000 0.823 320 A HN 0.034 nan 8.150 nan 0.000 0.482 321 R N -0.952 119.609 120.500 0.102 0.000 2.250 321 R HA 0.039 4.375 4.340 -0.006 0.000 0.194 321 R C 1.706 178.240 176.300 0.389 0.000 0.927 321 R CA 1.119 57.379 56.100 0.267 0.000 1.052 321 R CB -0.011 30.339 30.300 0.083 0.000 1.055 321 R HN 0.465 nan 8.270 nan 0.000 0.537 322 V N -2.072 117.848 119.914 0.010 0.000 3.306 322 V HA 0.390 4.507 4.120 -0.006 0.000 0.264 322 V C 0.589 176.618 176.094 -0.108 0.000 1.149 322 V CA 0.559 62.798 62.300 -0.102 0.000 1.143 322 V CB -0.064 31.444 31.823 -0.525 0.000 0.767 322 V HN 0.147 nan 8.190 nan 0.000 0.476 323 A N -0.462 122.279 122.820 -0.131 0.000 2.612 323 A HA 0.815 5.132 4.320 -0.006 0.000 0.293 323 A C -3.292 174.092 177.584 -0.333 0.000 1.075 323 A CA -1.607 50.112 52.037 -0.530 0.000 0.680 323 A CB 0.875 19.671 19.000 -0.339 0.000 1.279 323 A HN 0.093 nan 8.150 nan 0.000 0.411 324 P HA 0.223 nan 4.420 nan 0.000 0.267 324 P C -0.861 176.477 177.300 0.063 0.000 1.200 324 P CA 0.548 63.617 63.100 -0.052 0.000 0.772 324 P CB 0.246 31.874 31.700 -0.120 0.000 0.855 325 H N 3.049 122.159 119.070 0.067 0.000 2.851 325 H HA 0.263 4.815 4.556 -0.006 0.000 0.372 325 H C -2.142 173.249 175.328 0.106 0.000 1.158 325 H CA -2.206 53.890 56.048 0.079 0.000 1.159 325 H CB 2.196 32.031 29.762 0.121 0.000 1.757 325 H HN 0.107 nan 8.280 nan 0.000 0.546 326 P HA -0.138 nan 4.420 nan 0.000 0.218 326 P C 1.330 178.806 177.300 0.294 0.000 1.148 326 P CA 0.979 64.097 63.100 0.029 0.000 0.822 326 P CB -0.060 31.588 31.700 -0.086 0.000 0.784 327 F N 0.720 120.928 119.950 0.430 0.000 2.163 327 F HA -0.151 4.372 4.527 -0.006 0.000 0.297 327 F C 2.171 178.133 175.800 0.270 0.000 1.094 327 F CA 1.981 60.171 58.000 0.316 0.000 1.290 327 F CB -1.027 38.082 39.000 0.182 0.000 1.017 327 F HN -0.061 nan 8.300 nan 0.000 0.483 328 T N -2.109 112.587 114.554 0.236 0.000 2.867 328 T HA -0.173 4.174 4.350 -0.006 0.000 0.268 328 T C 1.806 176.516 174.700 0.016 0.000 1.057 328 T CA 1.485 63.620 62.100 0.060 0.000 1.136 328 T CB -0.842 68.114 68.868 0.147 0.000 0.874 328 T HN 0.327 nan 8.240 nan 0.000 0.466 329 N N 0.750 119.507 118.700 0.095 0.000 2.142 329 N HA 0.012 4.749 4.740 -0.006 0.000 0.186 329 N C 0.532 176.062 175.510 0.033 0.000 1.023 329 N CA 0.353 53.445 53.050 0.070 0.000 0.852 329 N CB -0.531 38.004 38.487 0.080 0.000 0.998 329 N HN 0.552 nan 8.380 nan 0.000 0.424 333 Y N 2.974 123.080 120.300 -0.324 0.000 2.181 333 Y HA 0.015 4.562 4.550 -0.006 0.000 0.288 333 Y C 2.348 177.998 175.900 -0.417 0.000 1.146 333 Y CA 2.492 60.422 58.100 -0.283 0.000 1.164 333 Y CB -0.412 37.923 38.460 -0.208 0.000 0.982 333 Y HN 0.178 nan 8.280 nan 0.000 0.515 334 A N 0.228 122.581 122.820 -0.779 0.000 1.908 334 A HA -0.193 4.124 4.320 -0.006 0.000 0.218 334 A C 2.323 179.584 177.584 -0.538 0.000 1.181 334 A CA 2.012 53.502 52.037 -0.911 0.000 0.627 334 A CB -1.160 17.137 19.000 -1.171 0.000 0.818 334 A HN 0.556 nan 8.150 nan 0.000 0.445 335 L N -0.896 120.022 121.223 -0.508 0.000 2.056 335 L HA -0.142 4.195 4.340 -0.006 0.000 0.207 335 L C 2.561 179.234 176.870 -0.328 0.000 1.078 335 L CA 0.943 55.515 54.840 -0.447 0.000 0.749 335 L CB -0.528 41.268 42.059 -0.438 0.000 0.901 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 L N -0.627 120.415 121.223 -0.302 0.000 2.083 336 L HA -0.182 4.155 4.340 -0.006 0.000 0.209 336 L C 2.745 179.462 176.870 -0.255 0.000 1.083 336 L CA 0.987 55.690 54.840 -0.229 0.000 0.752 336 L CB -0.488 41.466 42.059 -0.176 0.000 0.899 336 L HN 0.271 nan 8.230 nan 0.000 0.433 337 E N 0.108 120.081 120.200 -0.378 0.000 2.072 337 E HA -0.220 4.126 4.350 -0.006 0.000 0.191 337 E C 2.071 178.575 176.600 -0.160 0.000 0.985 337 E CA 0.998 57.226 56.400 -0.286 0.000 0.801 337 E CB -0.066 29.445 29.700 -0.314 0.000 0.750 337 E HN 0.211 nan 8.360 nan 0.000 0.452 338 K N 1.178 121.477 120.400 -0.169 0.000 2.057 338 K HA -0.064 4.252 4.320 -0.006 0.000 0.206 338 K C 2.141 178.675 176.600 -0.111 0.000 1.050 338 K CA 1.683 57.894 56.287 -0.126 0.000 0.935 338 K CB -0.280 32.119 32.500 -0.169 0.000 0.715 338 K HN 0.106 nan 8.250 nan 0.000 0.439 339 S N -0.752 114.868 115.700 -0.133 0.000 2.458 339 S HA 0.013 4.480 4.470 -0.006 0.000 0.223 339 S C 0.572 175.134 174.600 -0.064 0.000 1.019 339 S CA 0.821 58.966 58.200 -0.093 0.000 0.937 339 S CB -0.046 63.091 63.200 -0.105 0.000 0.788 339 S HN 0.425 nan 8.310 nan 0.000 0.511 340 D N 0.583 120.939 120.400 -0.072 0.000 3.076 340 D HA -0.143 4.494 4.640 -0.006 0.000 0.218 340 D C 0.122 176.407 176.300 -0.024 0.000 1.156 340 D CA 0.855 54.828 54.000 -0.045 0.000 0.921 340 D CB -1.590 39.192 40.800 -0.030 0.000 1.113 340 D HN 0.813 nan 8.370 nan 0.000 0.418 341 A N -0.194 122.607 122.820 -0.030 0.000 2.313 341 A HA 0.370 4.686 4.320 -0.006 0.000 0.261 341 A C 1.313 178.909 177.584 0.021 0.000 1.090 341 A CA 0.367 52.403 52.037 -0.001 0.000 0.807 341 A CB 0.454 19.448 19.000 -0.010 0.000 1.055 341 A HN 0.160 nan 8.150 nan 0.000 0.492 342 D N -0.678 119.758 120.400 0.059 0.000 2.149 342 D HA 0.039 4.676 4.640 -0.006 0.000 0.201 342 D C 0.402 176.742 176.300 0.066 0.000 0.972 342 D CA 1.479 55.532 54.000 0.088 0.000 0.835 342 D CB -0.067 40.834 40.800 0.168 0.000 0.966 342 D HN 0.205 nan 8.370 nan 0.000 0.476 343 V N -0.411 119.538 119.914 0.057 0.000 3.040 343 V HA 0.782 4.898 4.120 -0.006 0.000 0.312 343 V C -0.499 175.614 176.094 0.032 0.000 1.115 343 V CA -0.993 61.341 62.300 0.057 0.000 0.998 343 V CB 2.208 34.072 31.823 0.068 0.000 1.042 343 V HN 0.147 nan 8.190 nan 0.000 0.433 344 A N 1.407 124.242 122.820 0.024 0.000 2.566 344 A HA 0.993 5.310 4.320 -0.006 0.000 0.292 344 A C -0.767 176.772 177.584 -0.076 0.000 1.112 344 A CA -0.209 51.801 52.037 -0.044 0.000 0.707 344 A CB 1.840 20.774 19.000 -0.110 0.000 1.302 344 A HN 1.947 nan 8.150 nan 0.000 0.409 345 C N -0.938 118.259 119.300 -0.172 0.000 3.285 345 C HA 0.977 5.434 4.460 -0.006 0.000 0.325 345 C C -0.545 174.279 174.990 -0.276 0.000 1.304 345 C CA -0.108 58.691 59.018 -0.365 0.000 1.319 345 C CB 0.928 28.214 27.740 -0.757 0.000 1.640 345 C HN 1.674 nan 8.230 nan 0.000 0.477 346 T N 0.359 114.710 114.554 -0.339 0.000 2.840 346 T HA 0.743 5.090 4.350 -0.006 0.000 0.317 346 T C -0.558 173.911 174.700 -0.386 0.000 1.401 346 T CA 0.540 62.497 62.100 -0.239 0.000 1.028 346 T CB 1.543 70.351 68.868 -0.101 0.000 1.317 346 T HN 2.139 nan 8.240 nan 0.000 0.495 347 A N 2.050 124.592 122.820 -0.463 0.000 2.279 347 A HA 0.802 5.118 4.320 -0.006 0.000 0.303 347 A C -0.659 176.498 177.584 -0.712 0.000 1.108 347 A CA -0.601 51.109 52.037 -0.545 0.000 0.830 347 A CB 0.683 19.419 19.000 -0.440 0.000 1.106 347 A HN 0.799 nan 8.150 nan 0.000 0.493 348 L N 2.110 123.081 121.223 -0.419 0.000 2.264 348 L HA 0.581 4.917 4.340 -0.006 0.000 0.287 348 L C -1.126 175.621 176.870 -0.205 0.000 1.039 348 L CA -0.200 54.476 54.840 -0.272 0.000 0.829 348 L CB -0.406 41.613 42.059 -0.068 0.000 1.211 348 L HN 0.524 nan 8.230 nan 0.000 0.427 349 F N 2.489 122.492 119.950 0.088 0.000 2.444 349 F HA 0.128 4.652 4.527 -0.005 0.000 0.331 349 F C 1.676 177.532 175.800 0.094 0.000 1.167 349 F CA -0.095 57.987 58.000 0.136 0.000 1.262 349 F CB 0.242 39.323 39.000 0.136 0.000 1.196 349 F HN 0.567 nan 8.300 nan 0.000 0.583 350 D N 0.292 120.907 120.400 0.357 0.000 2.158 350 D HA -0.183 4.454 4.640 -0.006 0.000 0.197 350 D C 1.973 178.340 176.300 0.113 0.000 0.995 350 D CA 1.887 56.000 54.000 0.189 0.000 0.846 350 D CB -0.018 40.940 40.800 0.263 0.000 0.941 350 D HN 0.418 nan 8.370 nan 0.000 0.456 351 S N -1.086 114.692 115.700 0.130 0.000 2.593 351 S HA 0.361 4.828 4.470 -0.006 0.000 0.217 351 S C 0.799 175.429 174.600 0.051 0.000 0.966 351 S CA -0.084 58.160 58.200 0.073 0.000 0.914 351 S CB 0.070 63.304 63.200 0.057 0.000 0.776 351 S HN 0.317 nan 8.310 nan 0.000 0.523 352 A N 1.024 123.881 122.820 0.062 0.000 2.454 352 A HA 0.614 4.931 4.320 -0.006 0.000 0.260 352 A C 0.714 178.216 177.584 -0.136 0.000 1.106 352 A CA -0.448 51.576 52.037 -0.021 0.000 0.780 352 A CB 0.309 19.328 19.000 0.031 0.000 1.044 352 A HN 0.321 nan 8.150 nan 0.000 0.498 353 S N 1.205 116.771 115.700 -0.223 0.000 2.730 353 S HA 0.476 4.942 4.470 -0.006 0.000 0.244 353 S C 0.904 175.264 174.600 -0.400 0.000 1.022 353 S CA 0.451 58.512 58.200 -0.232 0.000 1.014 353 S CB -0.269 62.860 63.200 -0.118 0.000 0.963 353 S HN 2.139 nan 8.310 nan 0.000 0.540 354 G N 1.876 110.163 108.800 -0.854 0.000 2.645 354 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.239 354 G HA3 -0.203 3.754 3.960 -0.006 0.000 0.239 354 G C -0.852 173.582 174.900 -0.777 0.000 1.331 354 G CA -0.529 43.664 45.100 -1.511 0.000 0.890 354 G HN 0.254 nan 8.290 nan 0.000 0.572 355 F N 0.812 120.569 119.950 -0.321 0.000 2.522 355 F HA 0.718 5.241 4.527 -0.005 0.000 0.324 355 F C 0.913 176.687 175.800 -0.043 0.000 1.077 355 F CA -0.908 57.039 58.000 -0.089 0.000 0.944 355 F CB 2.133 41.139 39.000 0.010 0.000 1.175 355 F HN 0.581 nan 8.300 nan 0.000 0.468 356 K N 0.534 121.038 120.400 0.172 0.000 2.416 356 K HA 0.333 4.649 4.320 -0.006 0.000 0.244 356 K C 0.963 177.587 176.600 0.039 0.000 1.044 356 K CA -0.752 55.584 56.287 0.082 0.000 0.972 356 K CB 0.997 33.523 32.500 0.043 0.000 1.286 356 K HN 0.583 nan 8.250 nan 0.000 0.500 357 Q N -0.082 119.723 119.800 0.007 0.000 2.084 357 Q HA -0.079 4.258 4.340 -0.006 0.000 0.202 357 Q C 0.213 176.166 176.000 -0.079 0.000 0.978 357 Q CA 0.973 56.752 55.803 -0.040 0.000 0.844 357 Q CB -0.026 28.696 28.738 -0.027 0.000 0.898 357 Q HN 0.192 nan 8.270 nan 0.000 0.426 358 V N 2.034 121.908 119.914 -0.067 0.000 2.385 358 V HA 0.141 4.257 4.120 -0.006 0.000 0.269 358 V C -0.181 175.842 176.094 -0.120 0.000 1.043 358 V CA -0.311 61.930 62.300 -0.097 0.000 0.906 358 V CB 1.433 33.209 31.823 -0.079 0.000 0.995 358 V HN -0.054 nan 8.190 nan 0.000 0.467 359 V N 5.339 125.136 119.914 -0.195 0.000 2.370 359 V HA 0.530 4.647 4.120 -0.006 0.000 0.283 359 V C 0.547 176.514 176.094 -0.213 0.000 1.023 359 V CA -0.269 61.864 62.300 -0.278 0.000 0.857 359 V CB 1.707 33.197 31.823 -0.555 0.000 0.985 359 V HN 1.032 nan 8.190 nan 0.000 0.443 363 D N 0.954 121.407 120.400 0.087 0.000 2.123 363 D HA -0.068 4.568 4.640 -0.006 0.000 0.200 363 D C 1.762 178.275 176.300 0.356 0.000 0.976 363 D CA 1.512 55.633 54.000 0.202 0.000 0.831 363 D CB 0.173 41.113 40.800 0.233 0.000 0.974 363 D HN 0.083 nan 8.370 nan 0.000 0.469 364 V N 1.857 121.965 119.914 0.324 0.000 2.261 364 V HA -0.231 3.886 4.120 -0.006 0.000 0.246 364 V C 2.621 178.906 176.094 0.319 0.000 1.047 364 V CA 1.218 63.772 62.300 0.423 0.000 1.015 364 V CB -0.394 31.578 31.823 0.248 0.000 0.642 364 V HN 0.164 nan 8.190 nan 0.000 0.446 365 I N 0.506 121.185 120.570 0.181 0.000 2.208 365 I HA -0.240 3.927 4.170 -0.006 0.000 0.245 365 I C 2.317 178.508 176.117 0.123 0.000 1.097 365 I CA 1.544 62.929 61.300 0.142 0.000 1.363 365 I CB -0.554 37.491 38.000 0.076 0.000 1.051 365 I HN 0.368 nan 8.210 nan 0.000 0.413 366 N N 1.008 119.783 118.700 0.124 0.000 2.223 366 N HA -0.143 4.594 4.740 -0.006 0.000 0.185 366 N C 1.475 177.062 175.510 0.130 0.000 1.016 366 N CA 1.040 54.148 53.050 0.097 0.000 0.863 366 N CB -0.468 38.073 38.487 0.090 0.000 0.983 366 N HN 0.371 nan 8.380 nan 0.000 0.429 367 N N -0.681 118.145 118.700 0.210 0.000 2.376 367 N HA -0.088 4.649 4.740 -0.006 0.000 0.177 367 N C -0.387 175.407 175.510 0.473 0.000 1.024 367 N CA 0.550 53.773 53.050 0.287 0.000 0.893 367 N CB 0.178 38.837 38.487 0.287 0.000 0.980 367 N HN 0.243 nan 8.380 nan 0.000 0.439 368 Y N 0.896 121.385 120.300 0.316 0.000 2.563 368 Y HA 0.297 4.844 4.550 -0.006 0.000 0.351 368 Y C -2.282 173.633 175.900 0.024 0.000 1.087 368 Y CA -1.934 56.352 58.100 0.311 0.000 1.272 368 Y CB 1.582 40.269 38.460 0.379 0.000 1.095 368 Y HN -0.052 nan 8.280 nan 0.000 0.620 369 P HA 0.198 nan 4.420 nan 0.000 0.249 369 P C -0.898 175.949 177.300 -0.755 0.000 1.583 369 P CA 0.354 63.175 63.100 -0.465 0.000 0.988 369 P CB -0.247 31.067 31.700 -0.643 0.000 1.530 370 F N 1.385 121.246 119.950 -0.148 0.000 2.551 370 F HA 0.424 4.948 4.527 -0.005 0.000 0.316 370 F C -1.900 173.950 175.800 0.083 0.000 1.089 370 F CA -2.827 55.086 58.000 -0.145 0.000 0.915 370 F CB 1.767 40.538 39.000 -0.382 0.000 1.186 370 F HN -0.273 nan 8.300 nan 0.000 0.456 371 P HA 0.101 nan 4.420 nan 0.000 0.220 371 P C -0.905 176.463 177.300 0.114 0.000 1.778 371 P CA -0.127 63.079 63.100 0.177 0.000 0.912 371 P CB -0.312 31.491 31.700 0.172 0.000 1.861 372 N N 0.833 119.605 118.700 0.119 0.000 2.529 372 N HA 0.188 4.925 4.740 -0.006 0.000 0.278 372 N C 0.987 176.293 175.510 -0.340 0.000 1.146 372 N CA 0.195 53.193 53.050 -0.087 0.000 0.980 372 N CB 0.850 39.287 38.487 -0.083 0.000 1.124 372 N HN 0.226 nan 8.380 nan 0.000 0.458 373 T N -1.799 112.530 114.554 -0.375 0.000 2.876 373 T HA 0.749 5.095 4.350 -0.006 0.000 0.277 373 T C -0.363 173.906 174.700 -0.720 0.000 0.997 373 T CA -0.483 61.395 62.100 -0.369 0.000 0.966 373 T CB 0.482 69.293 68.868 -0.095 0.000 1.312 373 T HN 0.234 nan 8.240 nan 0.000 0.598 374 F N -0.615 119.317 119.950 -0.030 0.000 2.603 374 F HA 0.728 5.252 4.527 -0.006 0.000 0.317 374 F C 0.268 176.035 175.800 -0.055 0.000 1.066 374 F CA -1.111 56.862 58.000 -0.046 0.000 0.941 374 F CB 2.390 41.351 39.000 -0.065 0.000 1.291 374 F HN 0.444 nan 8.300 nan 0.000 0.472 375 K N 0.930 121.399 120.400 0.114 0.000 2.464 375 K HA 0.673 4.990 4.320 -0.006 0.000 0.253 375 K C -1.806 174.797 176.600 0.005 0.000 0.933 375 K CA -0.930 55.374 56.287 0.028 0.000 0.801 375 K CB 3.027 35.511 32.500 -0.026 0.000 1.271 375 K HN 0.315 nan 8.250 nan 0.000 0.430 376 V N 4.344 124.256 119.914 -0.003 0.000 2.370 376 V HA 0.385 4.501 4.120 -0.006 0.000 0.279 376 V C -0.293 175.793 176.094 -0.012 0.000 1.029 376 V CA -0.742 61.551 62.300 -0.012 0.000 0.870 376 V CB 0.776 32.595 31.823 -0.005 0.000 0.984 376 V HN 0.537 nan 8.190 nan 0.000 0.451 377 L N 3.948 125.161 121.223 -0.016 0.000 2.334 377 L HA 0.804 5.140 4.340 -0.006 0.000 0.276 377 L C 0.390 177.290 176.870 0.050 0.000 1.014 377 L CA -0.731 54.115 54.840 0.010 0.000 0.815 377 L CB 1.873 43.929 42.059 -0.004 0.000 1.268 377 L HN 0.674 nan 8.230 nan 0.000 0.428 378 A N 3.111 125.964 122.820 0.056 0.000 2.276 378 A HA 0.667 4.983 4.320 -0.006 0.000 0.300 378 A C -0.395 177.246 177.584 0.095 0.000 1.235 378 A CA -0.429 51.647 52.037 0.066 0.000 0.867 378 A CB 0.558 19.579 19.000 0.036 0.000 1.137 378 A HN 0.551 nan 8.150 nan 0.000 0.527 379 V N 0.994 120.987 119.914 0.131 0.000 3.007 379 V HA 0.850 4.967 4.120 -0.006 0.000 0.311 379 V C 0.140 176.334 176.094 0.166 0.000 1.120 379 V CA -0.238 62.151 62.300 0.148 0.000 0.980 379 V CB 1.213 33.154 31.823 0.197 0.000 1.033 379 V HN 1.243 nan 8.190 nan 0.000 0.429 380 S N 2.224 118.004 115.700 0.132 0.000 2.608 380 S HA 0.469 4.936 4.470 -0.006 0.000 0.261 380 S C 1.417 176.154 174.600 0.228 0.000 1.314 380 S CA 0.223 58.514 58.200 0.152 0.000 0.992 380 S CB 0.941 64.193 63.200 0.086 0.000 0.935 380 S HN 1.889 nan 8.310 nan 0.000 0.564 381 G N 0.422 109.409 108.800 0.312 0.000 2.422 381 G HA2 0.027 3.983 3.960 -0.006 0.000 0.218 381 G HA3 0.027 3.983 3.960 -0.006 0.000 0.218 381 G C 1.526 176.462 174.900 0.061 0.000 1.146 381 G CA 0.699 45.931 45.100 0.220 0.000 0.769 381 G HN 1.090 nan 8.290 nan 0.000 0.547 382 A N 0.810 123.670 122.820 0.066 0.000 1.902 382 A HA 0.009 4.326 4.320 -0.006 0.000 0.217 382 A C 2.288 179.871 177.584 -0.001 0.000 1.181 382 A CA 1.872 53.923 52.037 0.022 0.000 0.623 382 A CB -0.343 18.673 19.000 0.026 0.000 0.818 382 A HN 0.348 nan 8.150 nan 0.000 0.443 383 K N -0.968 119.442 120.400 0.017 0.000 2.148 383 K HA -0.090 4.227 4.320 -0.006 0.000 0.204 383 K C 1.886 178.465 176.600 -0.035 0.000 1.050 383 K CA 1.196 57.478 56.287 -0.009 0.000 0.942 383 K CB -0.312 32.200 32.500 0.020 0.000 0.724 383 K HN 0.403 nan 8.250 nan 0.000 0.446 384 L N 2.000 123.213 121.223 -0.016 0.000 2.046 384 L HA -0.190 4.147 4.340 -0.006 0.000 0.208 384 L C 2.202 178.971 176.870 -0.169 0.000 1.077 384 L CA 1.850 56.645 54.840 -0.074 0.000 0.747 384 L CB -0.407 41.583 42.059 -0.116 0.000 0.896 384 L HN 0.000 nan 8.230 nan 0.000 0.432 385 K N -0.465 119.851 120.400 -0.140 0.000 2.063 385 K HA -0.221 4.096 4.320 -0.006 0.000 0.208 385 K C 1.941 178.467 176.600 -0.122 0.000 1.048 385 K CA 1.886 58.085 56.287 -0.147 0.000 0.928 385 K CB -0.159 32.292 32.500 -0.083 0.000 0.713 385 K HN 0.507 nan 8.250 nan 0.000 0.442 386 E N -0.123 120.024 120.200 -0.088 0.000 2.085 386 E HA -0.216 4.130 4.350 -0.006 0.000 0.194 386 E C 1.972 178.526 176.600 -0.075 0.000 0.994 386 E CA 1.134 57.488 56.400 -0.075 0.000 0.801 386 E CB -0.137 29.518 29.700 -0.075 0.000 0.743 386 E HN 0.461 nan 8.360 nan 0.000 0.453 387 A N 1.207 123.978 122.820 -0.081 0.000 1.898 387 A HA -0.152 4.165 4.320 -0.006 0.000 0.216 387 A C 2.171 179.821 177.584 0.110 0.000 1.181 387 A CA 1.020 53.096 52.037 0.065 0.000 0.620 387 A CB -0.527 18.520 19.000 0.080 0.000 0.819 387 A HN 0.132 nan 8.150 nan 0.000 0.442 388 I N -0.400 120.038 120.570 -0.219 0.000 2.315 388 I HA -0.192 3.975 4.170 -0.006 0.000 0.248 388 I C 2.335 178.417 176.117 -0.058 0.000 1.117 388 I CA 1.084 62.167 61.300 -0.362 0.000 1.404 388 I CB -0.431 37.115 38.000 -0.758 0.000 1.071 388 I HN 0.294 nan 8.210 nan 0.000 0.419 389 E N 0.779 120.954 120.200 -0.040 0.000 2.110 389 E HA -0.247 4.100 4.350 -0.006 0.000 0.193 389 E C 2.157 178.793 176.600 0.061 0.000 0.988 389 E CA 1.033 57.448 56.400 0.026 0.000 0.804 389 E CB -0.249 29.452 29.700 0.002 0.000 0.745 389 E HN 0.317 nan 8.360 nan 0.000 0.458 390 R N 1.225 121.740 120.500 0.025 0.000 2.066 390 R HA -0.027 4.309 4.340 -0.006 0.000 0.232 390 R C 2.283 178.661 176.300 0.130 0.000 1.131 390 R CA 1.984 58.061 56.100 -0.038 0.000 0.955 390 R CB -0.822 29.243 30.300 -0.393 0.000 0.851 390 R HN -0.048 nan 8.270 nan 0.000 0.432 391 S N 0.501 116.372 115.700 0.284 0.000 2.383 391 S HA -0.141 4.326 4.470 -0.006 0.000 0.229 391 S C 1.947 176.769 174.600 0.370 0.000 1.030 391 S CA 1.250 59.683 58.200 0.389 0.000 1.002 391 S CB -0.543 62.870 63.200 0.355 0.000 0.829 391 S HN 0.578 nan 8.310 nan 0.000 0.467 392 A N 1.344 124.358 122.820 0.323 0.000 2.125 392 A HA -0.105 4.212 4.320 -0.006 0.000 0.219 392 A C 1.812 179.543 177.584 0.244 0.000 1.156 392 A CA 1.035 53.297 52.037 0.374 0.000 0.671 392 A CB -0.461 18.718 19.000 0.298 0.000 0.794 392 A HN 0.584 nan 8.150 nan 0.000 0.459 393 E N -1.762 118.527 120.200 0.150 0.000 2.409 393 E HA -0.168 4.179 4.350 -0.006 0.000 0.198 393 E C 1.370 177.867 176.600 -0.173 0.000 1.024 393 E CA 0.704 57.174 56.400 0.118 0.000 0.861 393 E CB -0.278 29.578 29.700 0.261 0.000 0.788 393 E HN 0.883 nan 8.360 nan 0.000 0.521 394 Y N 0.329 120.148 120.300 -0.802 0.000 2.333 394 Y HA -0.136 4.411 4.550 -0.006 0.000 0.290 394 Y C 0.183 175.541 175.900 -0.904 0.000 1.144 394 Y CA 0.606 57.774 58.100 -1.553 0.000 1.228 394 Y CB 0.223 37.758 38.460 -1.542 0.000 0.985 394 Y HN -0.179 nan 8.280 nan 0.000 0.542 395 F N 0.523 120.325 119.950 -0.246 0.000 2.399 395 F HA 0.412 4.936 4.527 -0.006 0.000 0.328 395 F C 0.015 175.765 175.800 -0.083 0.000 1.084 395 F CA -0.805 57.102 58.000 -0.155 0.000 1.053 395 F CB 0.970 39.964 39.000 -0.010 0.000 1.209 395 F HN -0.168 nan 8.300 nan 0.000 0.502 396 D N -0.497 119.996 120.400 0.154 0.000 2.579 396 D HA 0.579 5.215 4.640 -0.006 0.000 0.257 396 D C -1.713 174.638 176.300 0.086 0.000 1.176 396 D CA -0.351 53.700 54.000 0.085 0.000 0.914 396 D CB 2.403 43.217 40.800 0.022 0.000 1.431 396 D HN 0.184 nan 8.370 nan 0.000 0.454 397 V N 2.196 122.143 119.914 0.056 0.000 2.384 397 V HA 0.480 4.597 4.120 -0.006 0.000 0.287 397 V C -0.220 175.886 176.094 0.020 0.000 1.020 397 V CA -0.521 61.803 62.300 0.041 0.000 0.850 397 V CB 1.367 33.213 31.823 0.039 0.000 0.987 397 V HN 0.364 nan 8.190 nan 0.000 0.436 398 K N 3.725 124.129 120.400 0.008 0.000 2.397 398 K HA 0.435 4.751 4.320 -0.006 0.000 0.253 398 K C -0.348 176.248 176.600 -0.008 0.000 0.932 398 K CA -0.799 55.485 56.287 -0.006 0.000 0.795 398 K CB 1.527 34.015 32.500 -0.021 0.000 1.159 398 K HN 0.673 nan 8.250 nan 0.000 0.424 399 N N 3.022 121.718 118.700 -0.006 0.000 2.727 399 N HA -0.193 4.543 4.740 -0.006 0.000 0.249 399 N C -1.021 174.487 175.510 -0.003 0.000 1.048 399 N CA 1.374 54.420 53.050 -0.007 0.000 0.714 399 N CB -1.190 37.289 38.487 -0.013 0.000 0.959 399 N HN 0.875 nan 8.380 nan 0.000 0.544 400 D N -1.978 118.424 120.400 0.003 0.000 2.945 400 D HA -0.214 4.423 4.640 -0.006 0.000 0.225 400 D C 0.196 176.501 176.300 0.009 0.000 1.158 400 D CA 1.817 55.820 54.000 0.006 0.000 0.805 400 D CB -1.124 39.678 40.800 0.004 0.000 1.098 400 D HN 0.927 nan 8.370 nan 0.000 0.426 401 E N -2.081 118.126 120.200 0.010 0.000 2.390 401 E HA 0.518 4.865 4.350 -0.006 0.000 0.277 401 E C -0.530 176.092 176.600 0.036 0.000 0.939 401 E CA -1.095 55.316 56.400 0.019 0.000 0.769 401 E CB 1.710 31.418 29.700 0.013 0.000 1.251 401 E HN -0.140 nan 8.360 nan 0.000 0.450 402 V N 2.244 122.197 119.914 0.066 0.000 2.529 402 V HA 0.252 4.368 4.120 -0.006 0.000 0.292 402 V C 0.132 176.340 176.094 0.191 0.000 1.028 402 V CA 0.650 63.024 62.300 0.124 0.000 1.074 402 V CB 0.163 32.036 31.823 0.083 0.000 0.958 402 V HN 0.790 nan 8.190 nan 0.000 0.481 403 S N 3.603 119.403 115.700 0.167 0.000 2.720 403 S HA 0.720 5.186 4.470 -0.006 0.000 0.287 403 S C -0.865 173.783 174.600 0.080 0.000 1.168 403 S CA -0.961 57.244 58.200 0.010 0.000 0.832 403 S CB 1.640 64.779 63.200 -0.102 0.000 1.166 403 S HN 0.338 nan 8.310 nan 0.000 0.493 404 V N 2.229 122.071 119.914 -0.121 0.000 2.530 404 V HA 0.452 4.569 4.120 -0.006 0.000 0.282 404 V C 0.952 176.879 176.094 -0.279 0.000 1.048 404 V CA -0.368 61.714 62.300 -0.363 0.000 0.997 404 V CB 1.156 32.746 31.823 -0.388 0.000 0.987 404 V HN 0.982 nan 8.190 nan 0.000 0.477 405 S N 3.992 119.490 115.700 -0.336 0.000 2.560 405 S HA 0.267 4.734 4.470 -0.006 0.000 0.284 405 S C 1.459 176.026 174.600 -0.055 0.000 1.327 405 S CA 0.030 58.156 58.200 -0.123 0.000 1.055 405 S CB 1.138 64.313 63.200 -0.042 0.000 0.868 405 S HN 1.025 nan 8.310 nan 0.000 0.506 406 A N 3.945 126.754 122.820 -0.018 0.000 1.978 406 A HA -0.085 4.232 4.320 -0.006 0.000 0.220 406 A C 1.717 179.304 177.584 0.006 0.000 1.170 406 A CA 1.843 53.873 52.037 -0.012 0.000 0.636 406 A CB -0.777 18.217 19.000 -0.011 0.000 0.810 406 A HN 0.903 nan 8.150 nan 0.000 0.448 407 D N -0.791 119.638 120.400 0.048 0.000 2.182 407 D HA -0.134 4.503 4.640 -0.006 0.000 0.201 407 D C 1.003 177.261 176.300 -0.070 0.000 0.986 407 D CA 1.157 55.165 54.000 0.013 0.000 0.847 407 D CB -0.348 40.498 40.800 0.077 0.000 0.942 407 D HN 0.542 nan 8.370 nan 0.000 0.467 408 F N -0.400 119.464 119.950 -0.144 0.000 2.727 408 F HA 0.254 4.777 4.527 -0.006 0.000 0.302 408 F C 1.945 177.600 175.800 -0.241 0.000 1.097 408 F CA 0.092 57.985 58.000 -0.179 0.000 1.330 408 F CB 0.236 39.144 39.000 -0.154 0.000 1.084 408 F HN -0.106 nan 8.300 nan 0.000 0.578 409 L N -1.722 119.474 121.223 -0.045 0.000 2.609 409 L HA 0.222 4.559 4.340 -0.006 0.000 0.230 409 L C 0.310 177.150 176.870 -0.051 0.000 1.064 409 L CA 0.347 55.142 54.840 -0.074 0.000 0.873 409 L CB 0.290 42.322 42.059 -0.046 0.000 1.139 409 L HN -0.240 nan 8.230 nan 0.000 0.490 410 E N 0.116 120.289 120.200 -0.045 0.000 2.288 410 E HA 0.292 4.639 4.350 -0.006 0.000 0.268 410 E C -1.985 174.590 176.600 -0.041 0.000 0.885 410 E CA -1.756 54.627 56.400 -0.028 0.000 0.767 410 E CB 1.855 31.548 29.700 -0.012 0.000 1.220 410 E HN -0.187 nan 8.360 nan 0.000 0.427 411 P HA 0.094 nan 4.420 nan 0.000 0.249 411 P C -0.212 177.091 177.300 0.005 0.000 1.229 411 P CA 0.614 63.720 63.100 0.010 0.000 0.788 411 P CB 0.601 32.327 31.700 0.044 0.000 1.072 412 K N 0.538 120.918 120.400 -0.032 0.000 2.513 412 K HA 0.437 4.754 4.320 -0.006 0.000 0.251 412 K C -3.089 173.469 176.600 -0.071 0.000 0.939 412 K CA -2.443 53.823 56.287 -0.035 0.000 0.793 412 K CB 2.062 34.517 32.500 -0.076 0.000 1.241 412 K HN -0.308 nan 8.250 nan 0.000 0.431 413 P HA -0.004 nan 4.420 nan 0.000 0.267 413 P C -1.294 175.877 177.300 -0.214 0.000 1.205 413 P CA 0.103 63.124 63.100 -0.130 0.000 0.765 413 P CB 0.421 32.117 31.700 -0.007 0.000 0.828 414 Q N 1.444 120.989 119.800 -0.425 0.000 2.719 414 Q HA 0.222 4.559 4.340 -0.006 0.000 0.376 414 Q C 0.261 175.918 176.000 -0.571 0.000 0.856 414 Q CA -0.598 54.684 55.803 -0.869 0.000 1.038 414 Q CB 0.002 28.194 28.738 -0.909 0.000 1.418 414 Q HN 0.446 nan 8.270 nan 0.000 0.395 415 H N 0.796 119.802 119.070 -0.107 0.000 2.489 415 H HA -0.112 4.441 4.556 -0.006 0.000 0.293 415 H C 1.346 176.672 175.328 -0.003 0.000 1.066 415 H CA 1.514 57.596 56.048 0.056 0.000 1.305 415 H CB -0.030 29.820 29.762 0.146 0.000 1.386 415 H HN 0.662 nan 8.280 nan 0.000 0.551 416 F N 0.668 120.789 119.950 0.285 0.000 2.546 416 F HA 0.013 4.536 4.527 -0.006 0.000 0.298 416 F C 1.208 177.097 175.800 0.147 0.000 1.120 416 F CA 0.334 58.466 58.000 0.219 0.000 1.456 416 F CB -0.438 38.646 39.000 0.140 0.000 1.088 416 F HN -0.117 nan 8.300 nan 0.000 0.572 417 N N -0.731 117.991 118.700 0.036 0.000 2.268 417 N HA -0.013 4.724 4.740 -0.006 0.000 0.204 417 N C -0.942 174.842 175.510 0.456 0.000 1.124 417 N CA -0.002 53.256 53.050 0.346 0.000 0.838 417 N CB -0.132 38.536 38.487 0.301 0.000 0.994 417 N HN 0.438 nan 8.380 nan 0.000 0.489 418 Y N 1.304 121.603 120.300 -0.002 0.000 2.342 418 Y HA 0.336 4.883 4.550 -0.006 0.000 0.338 418 Y C -0.946 174.819 175.900 -0.224 0.000 0.965 418 Y CA -1.146 56.809 58.100 -0.242 0.000 1.159 418 Y CB 0.559 38.445 38.460 -0.957 0.000 1.157 418 Y HN -0.151 nan 8.280 nan 0.000 0.486 419 D N 6.353 126.318 120.400 -0.725 0.000 2.163 419 D HA 0.415 5.052 4.640 -0.006 0.000 0.248 419 D C -0.603 175.016 176.300 -1.135 0.000 1.035 419 D CA -0.054 53.435 54.000 -0.851 0.000 0.872 419 D CB 1.993 42.293 40.800 -0.834 0.000 1.183 419 D HN 0.567 nan 8.370 nan 0.000 0.445 420 I N 2.318 122.367 120.570 -0.867 0.000 2.354 420 I HA 0.234 4.400 4.170 -0.006 0.000 0.292 420 I C -0.599 175.209 176.117 -0.514 0.000 0.989 420 I CA -0.770 60.175 61.300 -0.591 0.000 1.188 420 I CB 0.761 38.574 38.000 -0.313 0.000 1.342 420 I HN 0.167 nan 8.210 nan 0.000 0.457 421 Y N 3.762 123.955 120.300 -0.178 0.000 2.361 421 Y HA 0.673 5.220 4.550 -0.005 0.000 0.332 421 Y C 0.810 176.741 175.900 0.052 0.000 1.101 421 Y CA -0.689 57.370 58.100 -0.069 0.000 1.137 421 Y CB 1.843 40.226 38.460 -0.127 0.000 1.207 421 Y HN 0.544 nan 8.280 nan 0.000 0.463 422 G N -0.457 108.439 108.800 0.159 0.000 2.524 422 G HA2 0.482 4.438 3.960 -0.006 0.000 0.310 422 G HA3 0.482 4.438 3.960 -0.006 0.000 0.310 422 G C 0.435 175.408 174.900 0.120 0.000 1.279 422 G CA -0.475 44.702 45.100 0.129 0.000 0.974 422 G HN 1.085 nan 8.290 nan 0.000 0.484 423 G N -1.213 107.658 108.800 0.118 0.000 2.217 423 G HA2 -0.020 3.936 3.960 -0.006 0.000 0.246 423 G HA3 -0.020 3.936 3.960 -0.006 0.000 0.246 423 G C 0.193 175.149 174.900 0.094 0.000 0.990 423 G CA 0.756 45.914 45.100 0.095 0.000 0.627 423 G HN 1.932 nan 8.290 nan 0.000 0.522 424 V N 1.532 121.524 119.914 0.131 0.000 2.709 424 V HA 0.818 4.935 4.120 -0.006 0.000 0.308 424 V C 0.086 176.331 176.094 0.252 0.000 1.062 424 V CA 0.421 62.797 62.300 0.127 0.000 0.901 424 V CB 2.099 33.942 31.823 0.033 0.000 1.003 424 V HN 1.350 nan 8.190 nan 0.000 0.425 425 S N 6.344 122.163 115.700 0.198 0.000 2.565 425 S HA 0.936 5.403 4.470 -0.006 0.000 0.290 425 S C -0.899 173.861 174.600 0.267 0.000 1.150 425 S CA -0.390 57.916 58.200 0.176 0.000 1.058 425 S CB 1.632 64.875 63.200 0.071 0.000 1.032 425 S HN 1.535 nan 8.310 nan 0.000 0.510 426 Y N -2.118 118.231 120.300 0.080 0.000 2.713 426 Y HA 0.728 5.275 4.550 -0.006 0.000 0.335 426 Y C -1.112 174.838 175.900 0.083 0.000 1.222 426 Y CA -1.173 56.957 58.100 0.051 0.000 1.061 426 Y CB 0.656 39.115 38.460 -0.002 0.000 1.314 426 Y HN 0.590 nan 8.280 nan 0.000 0.453 427 T N 2.880 117.532 114.554 0.163 0.000 2.848 427 T HA 0.663 5.010 4.350 -0.006 0.000 0.285 427 T C -0.799 173.939 174.700 0.063 0.000 0.995 427 T CA -0.457 61.648 62.100 0.009 0.000 0.970 427 T CB 1.100 69.910 68.868 -0.096 0.000 0.976 427 T HN 0.596 nan 8.240 nan 0.000 0.441 428 I N 3.175 123.751 120.570 0.010 0.000 2.378 428 I HA 0.302 4.469 4.170 -0.006 0.000 0.291 428 I C -0.116 175.924 176.117 -0.129 0.000 0.992 428 I CA -0.829 60.506 61.300 0.058 0.000 1.154 428 I CB 1.096 39.211 38.000 0.190 0.000 1.315 428 I HN 0.543 nan 8.210 nan 0.000 0.448 429 H N 6.614 125.727 119.070 0.072 0.000 2.683 429 H HA 0.178 4.731 4.556 -0.006 0.000 0.270 429 H C 0.882 176.238 175.328 0.046 0.000 1.201 429 H CA -0.238 55.833 56.048 0.038 0.000 1.277 429 H CB 1.598 31.382 29.762 0.037 0.000 1.400 429 H HN 0.408 nan 8.280 nan 0.000 0.504 430 V N 2.452 122.433 119.914 0.112 0.000 2.594 430 V HA -0.167 3.949 4.120 -0.006 0.000 0.253 430 V C 2.372 178.529 176.094 0.105 0.000 1.069 430 V CA 2.092 64.457 62.300 0.108 0.000 1.082 430 V CB -0.388 31.472 31.823 0.062 0.000 0.680 430 V HN 0.810 nan 8.190 nan 0.000 0.469 431 G N -0.071 108.787 108.800 0.097 0.000 2.598 431 G HA2 -0.084 3.873 3.960 -0.006 0.000 0.215 431 G HA3 -0.084 3.873 3.960 -0.006 0.000 0.215 431 G C 0.891 175.828 174.900 0.061 0.000 1.131 431 G CA -0.179 44.963 45.100 0.069 0.000 0.785 431 G HN 0.438 nan 8.290 nan 0.000 0.539 432 R N 0.309 120.856 120.500 0.079 0.000 2.528 432 R HA 0.341 4.677 4.340 -0.006 0.000 0.271 432 R C -2.536 173.801 176.300 0.061 0.000 1.056 432 R CA -1.848 54.285 56.100 0.056 0.000 1.117 432 R CB 0.304 30.636 30.300 0.054 0.000 1.085 432 R HN -0.038 nan 8.270 nan 0.000 0.530 433 P HA -0.049 nan 4.420 nan 0.000 0.266 433 P C -0.789 176.545 177.300 0.055 0.000 1.195 433 P CA 0.235 63.361 63.100 0.044 0.000 0.768 433 P CB 0.415 32.133 31.700 0.029 0.000 0.838 434 K N 1.823 122.258 120.400 0.059 0.000 2.524 434 K HA 0.169 4.485 4.320 -0.006 0.000 0.279 434 K C 1.417 178.047 176.600 0.049 0.000 0.993 434 K CA 1.281 57.608 56.287 0.066 0.000 1.030 434 K CB -0.455 32.084 32.500 0.064 0.000 0.891 434 K HN 0.837 nan 8.250 nan 0.000 0.488 435 G N 1.808 110.638 108.800 0.050 0.000 2.234 435 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.235 435 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.235 435 G C 0.198 175.117 174.900 0.032 0.000 0.997 435 G CA 0.448 45.566 45.100 0.031 0.000 0.623 435 G HN 0.688 nan 8.290 nan 0.000 0.514 436 Q N -0.795 119.032 119.800 0.046 0.000 2.139 436 Q HA 0.536 4.873 4.340 -0.006 0.000 0.301 436 Q C 1.196 177.240 176.000 0.074 0.000 0.874 436 Q CA -0.591 55.240 55.803 0.047 0.000 1.116 436 Q CB 0.339 29.095 28.738 0.031 0.000 1.278 436 Q HN 0.387 nan 8.270 nan 0.000 0.426 437 R N -0.177 120.383 120.500 0.100 0.000 2.290 437 R HA 0.211 4.548 4.340 -0.006 0.000 0.197 437 R C 0.022 176.431 176.300 0.183 0.000 0.913 437 R CA 0.135 56.327 56.100 0.153 0.000 1.040 437 R CB 0.946 31.343 30.300 0.161 0.000 0.992 437 R HN 0.065 nan 8.270 nan 0.000 0.500 438 V N 1.129 121.123 119.914 0.133 0.000 2.407 438 V HA 0.272 4.389 4.120 -0.006 0.000 0.278 438 V C -0.017 176.155 176.094 0.130 0.000 1.037 438 V CA -0.118 62.259 62.300 0.128 0.000 0.900 438 V CB 1.636 33.482 31.823 0.039 0.000 0.983 438 V HN 0.085 nan 8.190 nan 0.000 0.459 439 S N 3.253 119.052 115.700 0.165 0.000 2.697 439 S HA 0.641 5.107 4.470 -0.006 0.000 0.289 439 S C -0.473 174.204 174.600 0.128 0.000 1.149 439 S CA -0.897 57.392 58.200 0.148 0.000 0.850 439 S CB 1.718 65.052 63.200 0.222 0.000 1.151 439 S HN 1.019 nan 8.310 nan 0.000 0.491 444 Q N 0.772 120.640 119.800 0.112 0.000 2.965 444 Q HA 0.405 4.742 4.340 -0.006 0.000 0.217 444 Q C 1.152 177.202 176.000 0.084 0.000 1.113 444 Q CA 1.045 56.918 55.803 0.118 0.000 0.373 444 Q CB 0.101 28.940 28.738 0.169 0.000 5.238 444 Q HN 0.306 nan 8.270 nan 0.000 0.337 445 G N 0.041 108.890 108.800 0.082 0.000 3.735 445 G HA2 0.241 4.197 3.960 -0.006 0.000 0.283 445 G HA3 0.241 4.197 3.960 -0.006 0.000 0.283 445 G C -0.527 174.254 174.900 -0.199 0.000 1.007 445 G CA -0.040 45.029 45.100 -0.051 0.000 0.821 445 G HN 0.148 nan 8.290 nan 0.000 0.505 446 H N -0.230 118.872 119.070 0.053 0.000 2.622 446 H HA 0.653 5.205 4.556 -0.006 0.000 0.363 446 H C 0.292 175.655 175.328 0.058 0.000 1.151 446 H CA -0.249 55.833 56.048 0.058 0.000 1.184 446 H CB 1.943 31.748 29.762 0.072 0.000 1.643 446 H HN 0.194 nan 8.280 nan 0.000 0.531 447 A N 1.985 124.906 122.820 0.169 0.000 2.483 447 A HA 0.231 4.547 4.320 -0.006 0.000 0.238 447 A C -0.010 177.647 177.584 0.121 0.000 1.070 447 A CA -0.447 51.655 52.037 0.108 0.000 0.770 447 A CB 0.086 19.139 19.000 0.088 0.000 1.008 447 A HN 0.530 nan 8.150 nan 0.000 0.497 448 V N 3.094 123.042 119.914 0.057 0.000 2.485 448 V HA 0.004 4.121 4.120 -0.006 0.000 0.287 448 V C 0.475 176.646 176.094 0.127 0.000 1.022 448 V CA 0.278 62.597 62.300 0.033 0.000 1.067 448 V CB 0.576 32.329 31.823 -0.117 0.000 0.967 448 V HN 0.918 nan 8.190 nan 0.000 0.479 449 D N 4.558 125.114 120.400 0.260 0.000 2.336 449 D HA 0.166 4.803 4.640 -0.006 0.000 0.249 449 D C 0.977 177.406 176.300 0.215 0.000 1.213 449 D CA -0.091 54.025 54.000 0.192 0.000 0.870 449 D CB 1.111 42.000 40.800 0.149 0.000 1.076 449 D HN 0.430 nan 8.370 nan 0.000 0.483 450 L N 3.184 124.482 121.223 0.124 0.000 2.261 450 L HA -0.134 4.203 4.340 -0.006 0.000 0.216 450 L C 1.928 178.856 176.870 0.096 0.000 1.114 450 L CA 1.026 55.927 54.840 0.102 0.000 0.777 450 L CB -0.140 41.953 42.059 0.056 0.000 0.910 450 L HN 0.371 nan 8.230 nan 0.000 0.440 451 K N -0.766 119.679 120.400 0.075 0.000 2.353 451 K HA 0.049 4.365 4.320 -0.006 0.000 0.195 451 K C 0.720 177.324 176.600 0.008 0.000 1.031 451 K CA -0.142 56.168 56.287 0.038 0.000 1.079 451 K CB 0.399 32.911 32.500 0.020 0.000 0.857 451 K HN 0.246 nan 8.250 nan 0.000 0.535 452 Q N 1.237 121.036 119.800 -0.001 0.000 2.306 452 Q HA 0.101 4.438 4.340 -0.006 0.000 0.241 452 Q C -0.920 174.923 176.000 -0.262 0.000 0.948 452 Q CA -0.097 55.602 55.803 -0.174 0.000 0.886 452 Q CB 1.094 29.645 28.738 -0.310 0.000 1.227 452 Q HN -0.110 nan 8.270 nan 0.000 0.457 453 T N 3.492 117.849 114.554 -0.329 0.000 2.806 453 T HA 0.385 4.732 4.350 -0.006 0.000 0.290 453 T C -1.177 173.265 174.700 -0.431 0.000 0.966 453 T CA -0.047 61.916 62.100 -0.228 0.000 1.060 453 T CB 0.169 68.969 68.868 -0.113 0.000 0.927 453 T HN 0.395 nan 8.240 nan 0.000 0.485 454 Y N 0.556 120.868 120.300 0.021 0.000 2.630 454 Y HA 0.605 5.152 4.550 -0.006 0.000 0.337 454 Y C 0.866 176.783 175.900 0.028 0.000 1.051 454 Y CA -1.190 56.925 58.100 0.024 0.000 1.121 454 Y CB 1.646 40.123 38.460 0.028 0.000 1.299 454 Y HN 0.617 nan 8.280 nan 0.000 0.498 455 T N 0.145 114.817 114.554 0.197 0.000 2.829 455 T HA 0.740 5.086 4.350 -0.006 0.000 0.280 455 T C -1.038 173.722 174.700 0.100 0.000 0.999 455 T CA -0.621 61.546 62.100 0.112 0.000 0.983 455 T CB 1.564 70.469 68.868 0.062 0.000 0.968 455 T HN 0.664 nan 8.240 nan 0.000 0.446 456 I N 1.643 122.254 120.570 0.069 0.000 2.619 456 I HA 0.541 4.707 4.170 -0.006 0.000 0.292 456 I C -0.950 175.155 176.117 -0.021 0.000 1.100 456 I CA -1.038 60.288 61.300 0.043 0.000 1.043 456 I CB 1.563 39.618 38.000 0.091 0.000 1.239 456 I HN 1.006 nan 8.210 nan 0.000 0.420 457 C N 9.079 128.359 119.300 -0.032 0.000 2.246 457 C HA 0.746 5.202 4.460 -0.006 0.000 0.329 457 C C -0.025 174.940 174.990 -0.043 0.000 1.221 457 C CA -0.199 58.794 59.018 -0.042 0.000 1.697 457 C CB -0.609 27.087 27.740 -0.073 0.000 2.312 457 C HN 0.555 nan 8.230 nan 0.000 0.509 458 V N 4.975 124.862 119.914 -0.046 0.000 3.074 458 V HA 0.719 4.836 4.120 -0.006 0.000 0.314 458 V C -0.271 175.882 176.094 0.099 0.000 1.117 458 V CA -0.800 61.462 62.300 -0.063 0.000 1.014 458 V CB 1.791 33.395 31.823 -0.365 0.000 1.057 458 V HN 0.929 nan 8.190 nan 0.000 0.438 459 N N 1.946 120.691 118.700 0.076 0.000 2.424 459 N HA 0.137 4.873 4.740 -0.006 0.000 0.257 459 N C 0.916 176.352 175.510 -0.123 0.000 1.250 459 N CA 0.177 53.137 53.050 -0.149 0.000 0.946 459 N CB 0.011 38.417 38.487 -0.135 0.000 1.175 459 N HN 0.860 nan 8.380 nan 0.000 0.477 460 N N 0.209 118.802 118.700 -0.179 0.000 2.223 460 N HA -0.272 4.465 4.740 -0.006 0.000 0.185 460 N C 1.372 176.885 175.510 0.004 0.000 1.016 460 N CA 1.079 54.076 53.050 -0.089 0.000 0.863 460 N CB -0.646 37.776 38.487 -0.107 0.000 0.983 460 N HN 0.724 nan 8.380 nan 0.000 0.429 461 Y N 1.934 122.185 120.300 -0.082 0.000 2.114 461 Y HA -0.082 4.464 4.550 -0.005 0.000 0.284 461 Y C 2.592 178.524 175.900 0.055 0.000 1.143 461 Y CA 1.658 59.755 58.100 -0.007 0.000 1.135 461 Y CB -0.074 38.350 38.460 -0.060 0.000 0.980 461 Y HN -0.086 nan 8.280 nan 0.000 0.499 462 R N 0.326 120.922 120.500 0.160 0.000 2.096 462 R HA -0.130 4.207 4.340 -0.006 0.000 0.235 462 R C 2.430 178.773 176.300 0.073 0.000 1.127 462 R CA 1.112 57.270 56.100 0.096 0.000 0.968 462 R CB -1.297 28.972 30.300 -0.051 0.000 0.861 462 R HN 0.501 nan 8.270 nan 0.000 0.440 463 A N 0.927 123.721 122.820 -0.043 0.000 2.024 463 A HA -0.119 4.197 4.320 -0.006 0.000 0.220 463 A C 1.985 179.576 177.584 0.011 0.000 1.164 463 A CA 1.736 53.743 52.037 -0.051 0.000 0.643 463 A CB -0.327 18.623 19.000 -0.083 0.000 0.806 463 A HN 0.228 nan 8.150 nan 0.000 0.451 464 V N -4.495 115.405 119.914 -0.024 0.000 3.444 464 V HA 0.592 4.709 4.120 -0.006 0.000 0.308 464 V C 1.156 177.220 176.094 -0.051 0.000 1.371 464 V CA 0.518 62.773 62.300 -0.076 0.000 1.141 464 V CB -0.778 30.952 31.823 -0.155 0.000 1.037 464 V HN 1.407 nan 8.190 nan 0.000 0.433 465 G N -0.316 108.532 108.800 0.079 0.000 2.175 465 G HA2 -0.144 3.813 3.960 -0.006 0.000 0.244 465 G HA3 -0.144 3.813 3.960 -0.006 0.000 0.244 465 G C 0.671 175.685 174.900 0.189 0.000 0.982 465 G CA -0.082 45.120 45.100 0.170 0.000 0.641 465 G HN 1.531 nan 8.290 nan 0.000 0.527 466 G N -0.424 108.369 108.800 -0.012 0.000 2.265 466 G HA2 0.491 4.447 3.960 -0.006 0.000 0.240 466 G HA3 0.491 4.447 3.960 -0.006 0.000 0.240 466 G C 1.494 176.596 174.900 0.337 0.000 1.270 466 G CA 1.640 46.609 45.100 -0.218 0.000 0.901 466 G HN 1.973 nan 8.290 nan 0.000 0.507 467 G N 1.228 110.338 108.800 0.516 0.000 2.137 467 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.237 467 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.237 467 G C 0.507 175.606 174.900 0.331 0.000 1.002 467 G CA 0.492 45.927 45.100 0.559 0.000 0.702 467 G HN 1.607 nan 8.290 nan 0.000 0.515 468 Q N -2.981 116.973 119.800 0.256 0.000 2.493 468 Q HA -0.231 4.106 4.340 -0.006 0.000 0.278 468 Q C -0.386 175.585 176.000 -0.048 0.000 1.216 468 Q CA 1.127 56.979 55.803 0.082 0.000 0.875 468 Q CB -1.845 26.880 28.738 -0.021 0.000 1.262 468 Q HN 0.751 nan 8.270 nan 0.000 0.468 469 Y N 1.462 121.835 120.300 0.122 0.000 2.793 469 Y HA 0.098 4.645 4.550 -0.006 0.000 0.374 469 Y C 1.042 176.944 175.900 0.004 0.000 1.135 469 Y CA -0.790 57.339 58.100 0.048 0.000 1.451 469 Y CB 0.151 38.710 38.460 0.165 0.000 1.541 469 Y HN 0.247 nan 8.280 nan 0.000 0.546 473 I N 3.392 124.047 120.570 0.141 0.000 2.683 473 I HA -0.033 4.134 4.170 -0.006 0.000 0.286 473 I C 0.269 176.406 176.117 0.032 0.000 1.175 473 I CA 0.983 62.313 61.300 0.051 0.000 1.429 473 I CB 0.301 38.297 38.000 -0.008 0.000 1.371 473 I HN 0.258 nan 8.210 nan 0.000 0.569 474 D N 2.791 123.196 120.400 0.009 0.000 3.076 474 D HA -0.173 4.464 4.640 -0.006 0.000 0.218 474 D C 0.273 176.588 176.300 0.025 0.000 1.156 474 D CA 1.149 55.150 54.000 0.003 0.000 0.921 474 D CB -1.151 39.642 40.800 -0.011 0.000 1.113 474 D HN 0.683 nan 8.370 nan 0.000 0.418 475 A N 0.371 123.224 122.820 0.055 0.000 2.407 475 A HA 0.491 4.808 4.320 -0.006 0.000 0.248 475 A C -1.975 175.632 177.584 0.038 0.000 1.082 475 A CA -0.783 51.294 52.037 0.066 0.000 0.785 475 A CB 0.315 19.388 19.000 0.122 0.000 1.020 475 A HN -0.122 nan 8.150 nan 0.000 0.489 476 P HA 0.181 nan 4.420 nan 0.000 0.264 476 P C -0.707 176.601 177.300 0.013 0.000 1.193 476 P CA 0.019 63.128 63.100 0.016 0.000 0.763 476 P CB 0.545 32.253 31.700 0.014 0.000 0.810 477 V N 5.299 125.215 119.914 0.003 0.000 2.372 477 V HA -0.016 4.101 4.120 -0.006 0.000 0.261 477 V C 1.578 177.671 176.094 -0.001 0.000 1.055 477 V CA 0.168 62.466 62.300 -0.003 0.000 0.930 477 V CB 0.941 32.757 31.823 -0.011 0.000 1.031 477 V HN 0.390 nan 8.190 nan 0.000 0.479 478 V N 4.140 124.054 119.914 0.001 0.000 2.591 478 V HA 0.065 4.181 4.120 -0.006 0.000 0.249 478 V C 0.828 176.921 176.094 -0.001 0.000 1.053 478 V CA 1.366 63.667 62.300 0.001 0.000 1.068 478 V CB -0.268 31.558 31.823 0.005 0.000 0.689 478 V HN 0.851 nan 8.190 nan 0.000 0.462 479 K N 0.109 120.508 120.400 -0.001 0.000 2.557 479 K HA 0.262 4.578 4.320 -0.006 0.000 0.257 479 K C -2.094 174.509 176.600 0.005 0.000 0.933 479 K CA -0.579 55.708 56.287 -0.000 0.000 0.820 479 K CB 1.979 34.478 32.500 -0.002 0.000 1.330 479 K HN 0.020 nan 8.250 nan 0.000 0.432 480 D N 4.844 125.247 120.400 0.006 0.000 2.427 480 D HA 0.296 4.933 4.640 -0.006 0.000 0.226 480 D C -0.693 175.621 176.300 0.025 0.000 1.076 480 D CA -0.363 53.643 54.000 0.010 0.000 0.849 480 D CB 0.556 41.354 40.800 -0.003 0.000 1.052 480 D HN 0.454 nan 8.370 nan 0.000 0.515 481 I N 3.930 124.532 120.570 0.055 0.000 2.287 481 I HA 0.103 4.269 4.170 -0.006 0.000 0.290 481 I C 0.691 176.865 176.117 0.095 0.000 1.069 481 I CA -0.482 60.864 61.300 0.076 0.000 1.237 481 I CB 1.044 39.106 38.000 0.103 0.000 1.418 481 I HN 0.112 nan 8.210 nan 0.000 0.481 482 Q N 5.825 125.660 119.800 0.058 0.000 2.945 482 Q HA 0.236 4.573 4.340 -0.006 0.000 0.323 482 Q C -0.650 175.389 176.000 0.065 0.000 1.188 482 Q CA -0.018 55.815 55.803 0.049 0.000 0.929 482 Q CB 0.342 29.098 28.738 0.030 0.000 1.531 482 Q HN 0.406 nan 8.270 nan 0.000 0.444 483 V N 0.679 120.657 119.914 0.107 0.000 2.577 483 V HA 0.232 4.349 4.120 -0.006 0.000 0.303 483 V C 0.248 176.440 176.094 0.163 0.000 1.042 483 V CA -0.918 61.448 62.300 0.109 0.000 0.872 483 V CB 2.346 34.221 31.823 0.087 0.000 0.998 483 V HN 0.329 nan 8.190 nan 0.000 0.423 484 E N 2.512 122.777 120.200 0.108 0.000 2.392 484 E HA 0.232 4.579 4.350 -0.006 0.000 0.259 484 E C 1.345 178.008 176.600 0.105 0.000 1.108 484 E CA 0.329 56.781 56.400 0.087 0.000 0.916 484 E CB 1.103 30.851 29.700 0.080 0.000 0.989 484 E HN 0.831 nan 8.360 nan 0.000 0.432 485 G N 1.918 110.687 108.800 -0.052 0.000 2.513 485 G HA2 -0.373 3.583 3.960 -0.006 0.000 0.219 485 G HA3 -0.373 3.583 3.960 -0.006 0.000 0.219 485 G C 1.457 176.251 174.900 -0.177 0.000 1.160 485 G CA 1.161 46.005 45.100 -0.427 0.000 0.767 485 G HN 0.586 nan 8.290 nan 0.000 0.571 486 A N 0.064 122.898 122.820 0.023 0.000 1.865 486 A HA -0.144 4.173 4.320 -0.006 0.000 0.217 486 A C 2.355 180.022 177.584 0.139 0.000 1.191 486 A CA 2.408 54.546 52.037 0.168 0.000 0.623 486 A CB -0.581 18.539 19.000 0.201 0.000 0.826 486 A HN 0.417 nan 8.150 nan 0.000 0.444 487 Q N -0.434 119.430 119.800 0.106 0.000 2.167 487 Q HA -0.051 4.286 4.340 -0.006 0.000 0.202 487 Q C 1.867 177.917 176.000 0.082 0.000 0.970 487 Q CA 1.550 57.410 55.803 0.094 0.000 0.855 487 Q CB -0.502 28.283 28.738 0.079 0.000 0.911 487 Q HN 0.666 nan 8.270 nan 0.000 0.438 488 L N -0.763 120.493 121.223 0.054 0.000 2.046 488 L HA -0.147 4.189 4.340 -0.006 0.000 0.208 488 L C 1.895 178.796 176.870 0.052 0.000 1.077 488 L CA 1.097 55.941 54.840 0.008 0.000 0.747 488 L CB -0.139 41.858 42.059 -0.104 0.000 0.896 488 L HN 0.310 nan 8.230 nan 0.000 0.432 489 L N -0.570 120.708 121.223 0.092 0.000 2.027 489 L HA -0.241 4.096 4.340 -0.006 0.000 0.206 489 L C 2.535 179.586 176.870 0.303 0.000 1.074 489 L CA 1.354 56.330 54.840 0.227 0.000 0.745 489 L CB -0.549 41.733 42.059 0.373 0.000 0.898 489 L HN 0.274 nan 8.230 nan 0.000 0.433 490 I N 0.144 120.844 120.570 0.217 0.000 2.163 490 I HA -0.331 3.836 4.170 -0.006 0.000 0.243 490 I C 2.183 178.387 176.117 0.146 0.000 1.085 490 I CA 1.396 62.793 61.300 0.163 0.000 1.347 490 I CB -0.516 37.555 38.000 0.119 0.000 1.044 490 I HN 0.308 nan 8.210 nan 0.000 0.408 491 D N 0.621 121.098 120.400 0.128 0.000 2.123 491 D HA -0.228 4.409 4.640 -0.006 0.000 0.196 491 D C 1.939 178.306 176.300 0.112 0.000 0.992 491 D CA 1.352 55.407 54.000 0.093 0.000 0.833 491 D CB -0.457 40.384 40.800 0.068 0.000 0.954 491 D HN 0.286 nan 8.370 nan 0.000 0.455 492 F N 1.167 121.145 119.950 0.048 0.000 2.102 492 F HA -0.121 4.403 4.527 -0.006 0.000 0.298 492 F C 2.183 178.063 175.800 0.132 0.000 1.105 492 F CA 1.072 59.113 58.000 0.069 0.000 1.239 492 F CB -0.186 38.838 39.000 0.041 0.000 0.991 492 F HN -0.119 nan 8.300 nan 0.000 0.474 493 L N -0.605 120.844 121.223 0.378 0.000 2.079 493 L HA -0.257 4.079 4.340 -0.006 0.000 0.210 493 L C 2.445 179.337 176.870 0.038 0.000 1.081 493 L CA 1.501 56.480 54.840 0.230 0.000 0.752 493 L CB -0.937 41.227 42.059 0.174 0.000 0.896 493 L HN 0.083 nan 8.230 nan 0.000 0.433 494 S N -0.139 115.575 115.700 0.024 0.000 2.402 494 S HA -0.076 4.391 4.470 -0.006 0.000 0.229 494 S C 1.542 176.108 174.600 -0.057 0.000 1.021 494 S CA 1.037 59.230 58.200 -0.011 0.000 0.974 494 S CB -0.186 63.020 63.200 0.011 0.000 0.800 494 S HN 0.478 nan 8.310 nan 0.000 0.484 495 N N 1.472 120.102 118.700 -0.116 0.000 2.325 495 N HA 0.104 4.840 4.740 -0.006 0.000 0.182 495 N C -0.291 175.094 175.510 -0.209 0.000 1.088 495 N CA 0.250 53.209 53.050 -0.151 0.000 0.879 495 N CB 0.054 38.444 38.487 -0.162 0.000 0.983 495 N HN 0.394 nan 8.380 nan 0.000 0.471 496 N N 1.559 120.089 118.700 -0.283 0.000 2.898 496 N HA 0.079 4.816 4.740 -0.006 0.000 0.245 496 N C 0.306 175.757 175.510 -0.098 0.000 1.185 496 N CA -0.174 52.731 53.050 -0.242 0.000 0.879 496 N CB 1.110 39.316 38.487 -0.468 0.000 1.157 496 N HN 0.047 nan 8.380 nan 0.000 0.503 497 N N 1.962 120.621 118.700 -0.068 0.000 2.069 497 N HA -0.045 4.692 4.740 -0.006 0.000 0.191 497 N C 0.596 176.087 175.510 -0.031 0.000 1.031 497 N CA 1.264 54.286 53.050 -0.045 0.000 0.852 497 N CB 0.151 38.615 38.487 -0.038 0.000 1.018 497 N HN 0.424 nan 8.380 nan 0.000 0.423 501 I N 4.186 124.769 120.570 0.021 0.000 2.307 501 I HA 0.329 4.496 4.170 -0.006 0.000 0.289 501 I C -1.456 174.500 176.117 -0.269 0.000 1.021 501 I CA -1.910 59.267 61.300 -0.206 0.000 1.224 501 I CB 0.982 38.989 38.000 0.011 0.000 1.376 501 I HN 0.199 nan 8.210 nan 0.000 0.470 502 P HA 0.063 nan 4.420 nan 0.000 0.272 502 P C -0.861 176.348 177.300 -0.152 0.000 1.230 502 P CA -0.547 62.422 63.100 -0.218 0.000 0.788 502 P CB 0.738 32.345 31.700 -0.155 0.000 0.949 503 Q N 0.789 120.551 119.800 -0.062 0.000 2.323 503 Q HA 0.202 4.539 4.340 -0.006 0.000 0.257 503 Q C 0.504 176.518 176.000 0.024 0.000 1.022 503 Q CA -0.046 55.744 55.803 -0.022 0.000 0.919 503 Q CB 0.041 28.765 28.738 -0.023 0.000 1.220 503 Q HN 0.332 nan 8.270 nan 0.000 0.427 504 V N 1.383 121.331 119.914 0.056 0.000 3.645 504 V HA 0.371 4.488 4.120 -0.006 0.000 0.275 504 V C 0.287 176.447 176.094 0.111 0.000 1.356 504 V CA -0.167 62.191 62.300 0.098 0.000 1.051 504 V CB 0.700 32.609 31.823 0.144 0.000 0.828 504 V HN 0.330 nan 8.190 nan 0.000 0.441 505 V N 2.794 122.777 119.914 0.114 0.000 2.370 505 V HA 0.686 4.802 4.120 -0.006 0.000 0.279 505 V C -0.961 175.225 176.094 0.153 0.000 1.029 505 V CA 0.089 62.500 62.300 0.184 0.000 0.870 505 V CB 1.130 33.083 31.823 0.217 0.000 0.984 505 V HN 0.571 nan 8.190 nan 0.000 0.451 506 D N 5.386 125.892 120.400 0.178 0.000 2.319 506 D HA 0.476 5.113 4.640 -0.006 0.000 0.237 506 D C -0.953 175.349 176.300 0.003 0.000 1.353 506 D CA -0.218 53.805 54.000 0.039 0.000 0.992 506 D CB 0.934 41.746 40.800 0.021 0.000 1.368 506 D HN 0.353 nan 8.370 nan 0.000 0.564 507 F N 0.497 120.266 119.950 -0.302 0.000 2.779 507 F HA 0.741 5.265 4.527 -0.006 0.000 0.316 507 F C -1.795 173.809 175.800 -0.326 0.000 1.164 507 F CA -1.147 56.540 58.000 -0.521 0.000 0.924 507 F CB 1.070 39.400 39.000 -1.117 0.000 1.348 507 F HN 0.096 nan 8.300 nan 0.000 0.467 508 K N 0.755 120.990 120.400 -0.275 0.000 2.551 508 K HA 0.810 5.126 4.320 -0.006 0.000 0.269 508 K C -2.426 174.097 176.600 -0.128 0.000 0.949 508 K CA -1.084 55.014 56.287 -0.315 0.000 0.849 508 K CB 2.619 34.960 32.500 -0.265 0.000 1.411 508 K HN 0.621 nan 8.250 nan 0.000 0.432 509 V N 1.714 121.513 119.914 -0.192 0.000 2.531 509 V HA 0.479 4.596 4.120 -0.006 0.000 0.301 509 V C -0.757 175.189 176.094 -0.247 0.000 1.034 509 V CA -0.380 61.779 62.300 -0.236 0.000 0.865 509 V CB 1.163 32.714 31.823 -0.454 0.000 0.995 509 V HN 1.013 nan 8.190 nan 0.000 0.424 510 E N 3.164 123.237 120.200 -0.212 0.000 2.454 510 E HA 0.571 4.918 4.350 -0.006 0.000 0.279 510 E C -1.197 175.377 176.600 -0.044 0.000 1.029 510 E CA -1.263 55.061 56.400 -0.126 0.000 0.831 510 E CB 1.807 31.444 29.700 -0.105 0.000 1.405 510 E HN 0.351 nan 8.360 nan 0.000 0.463 511 K N 0.000 120.410 120.400 0.017 0.000 2.780 511 K HA 0.000 4.317 4.320 -0.006 0.000 0.191 511 K CA 0.000 56.329 56.287 0.070 0.000 0.838 511 K CB 0.000 32.532 32.500 0.053 0.000 1.064 511 K HN 0.000 nan 8.250 nan 0.000 0.543