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 1w5c_1_A DATA FIRST_RESID 8 DATA SEQUENCE RESANLWERF CNWVTSTDNR LYVGWFGVIM IPTLLAATIC FVIAFIAAPP DATA SEQUENCE VDIDGIREPV SGSLLYGNNI ITGAVVPSSN AIGLHFYPIW EAASLDEWLY DATA SEQUENCE NGGPYQLIIF HFLLGASCYM GRQWELSYRL GMRPWICVAY SAPLASAFAV DATA SEQUENCE FLIYPIGQGS FSDGMPLGIS GTFNFMIVFQ AEHNILMHPF HQLGVAGVFG DATA SEQUENCE GALFCAMHGS LVTSSLIRET TETESXXYGY KFGQEEETYN IVAAHGYFGR DATA SEQUENCE LIFQYASFNN SRSLHFFLAA WPVVGVWFTA LGISTMAFNL NGFNFNHSVI DATA SEQUENCE DAKGNVINTW ADIINRANLG MEVMHERNAH NFPL 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.305 176.300 0.008 0.000 0.893 8 R CA 0.000 56.104 56.100 0.007 0.000 0.921 8 R CB 0.000 30.304 30.300 0.007 0.000 0.687 9 E N -0.493 119.712 120.200 0.009 0.000 2.028 9 E HA 0.051 4.401 4.350 0.001 0.000 0.191 9 E C 2.583 179.192 176.600 0.014 0.000 0.988 9 E CA 3.154 59.560 56.400 0.010 0.000 0.799 9 E CB -1.085 28.621 29.700 0.010 0.000 0.755 9 E HN 1.831 nan 8.360 nan 0.000 0.447 10 S N 0.963 116.673 115.700 0.016 0.000 2.370 10 S HA 0.332 4.803 4.470 0.001 0.000 0.226 10 S C 1.979 176.593 174.600 0.023 0.000 1.033 10 S CA 1.557 59.771 58.200 0.023 0.000 1.011 10 S CB -0.721 62.492 63.200 0.022 0.000 0.852 10 S HN 1.101 nan 8.310 nan 0.000 0.457 11 A N 0.652 123.483 122.820 0.018 0.000 2.264 11 A HA 0.422 4.742 4.320 0.001 0.000 0.291 11 A C 1.338 178.931 177.584 0.016 0.000 1.253 11 A CA 1.045 53.092 52.037 0.017 0.000 0.865 11 A CB -1.603 17.404 19.000 0.012 0.000 1.129 11 A HN 2.125 nan 8.150 nan 0.000 0.513 12 N N -4.068 114.641 118.700 0.014 0.000 3.815 12 N HA 0.118 4.858 4.740 0.001 0.000 0.232 12 N C 1.509 177.027 175.510 0.013 0.000 0.863 12 N CA 2.988 56.045 53.050 0.012 0.000 1.021 12 N CB -1.502 36.990 38.487 0.008 0.000 0.759 12 N HN 2.417 nan 8.380 nan 0.000 0.682 13 L N -3.189 118.039 121.223 0.009 0.000 2.270 13 L HA 0.167 4.508 4.340 0.001 0.000 0.217 13 L C 3.506 180.379 176.870 0.005 0.000 1.107 13 L CA 4.080 58.924 54.840 0.006 0.000 0.772 13 L CB -2.639 39.421 42.059 0.001 0.000 0.902 13 L HN 2.308 nan 8.230 nan 0.000 0.439 14 W N -0.715 120.588 121.300 0.006 0.000 2.301 14 W HA -0.083 4.578 4.660 0.001 0.000 0.325 14 W C 2.651 179.175 176.519 0.009 0.000 1.250 14 W CA 3.456 60.804 57.345 0.005 0.000 1.261 14 W CB -1.386 28.079 29.460 0.008 0.000 1.157 14 W HN 0.787 nan 8.180 nan 0.000 0.473 15 E N 0.214 120.426 120.200 0.021 0.000 2.033 15 E HA -0.261 4.090 4.350 0.001 0.000 0.199 15 E C 2.230 178.847 176.600 0.028 0.000 1.011 15 E CA 4.343 60.765 56.400 0.037 0.000 0.815 15 E CB -1.635 28.095 29.700 0.050 0.000 0.755 15 E HN 1.080 nan 8.360 nan 0.000 0.451 16 R N -0.891 119.622 120.500 0.022 0.000 2.133 16 R HA -0.026 4.315 4.340 0.001 0.000 0.247 16 R C 2.693 178.984 176.300 -0.015 0.000 1.151 16 R CA 3.242 59.348 56.100 0.011 0.000 0.971 16 R CB -2.221 28.084 30.300 0.008 0.000 0.866 16 R HN 1.102 nan 8.270 nan 0.000 0.447 17 F N -0.620 119.319 119.950 -0.019 0.000 2.149 17 F HA 0.172 4.699 4.527 0.001 0.000 0.294 17 F C 3.242 179.007 175.800 -0.058 0.000 1.095 17 F CA 1.212 59.190 58.000 -0.036 0.000 1.276 17 F CB -1.475 37.510 39.000 -0.025 0.000 1.023 17 F HN 0.807 nan 8.300 nan 0.000 0.480 18 C N 1.190 120.464 119.300 -0.044 0.000 2.386 18 C HA -0.104 4.356 4.460 0.001 0.000 0.279 18 C C 2.921 177.821 174.990 -0.150 0.000 1.208 18 C CA 3.449 62.429 59.018 -0.064 0.000 1.747 18 C CB -1.975 25.760 27.740 -0.009 0.000 2.046 18 C HN 0.812 nan 8.230 nan 0.000 0.453 19 N N -1.155 117.470 118.700 -0.125 0.000 2.091 19 N HA -0.199 4.542 4.740 0.001 0.000 0.193 19 N C 2.415 177.742 175.510 -0.305 0.000 1.021 19 N CA 4.221 57.123 53.050 -0.247 0.000 0.862 19 N CB -1.824 36.652 38.487 -0.018 0.000 1.018 19 N HN 1.416 nan 8.380 nan 0.000 0.429 20 W N 0.205 121.401 121.300 -0.175 0.000 2.402 20 W HA 0.371 5.031 4.660 0.001 0.000 0.286 20 W C 2.986 179.392 176.519 -0.188 0.000 1.221 20 W CA 2.569 59.818 57.345 -0.160 0.000 1.257 20 W CB -0.943 28.460 29.460 -0.095 0.000 1.120 20 W HN 0.666 nan 8.180 nan 0.000 0.551 21 V N 1.262 121.066 119.914 -0.183 0.000 2.237 21 V HA -0.094 4.026 4.120 0.001 0.000 0.245 21 V C 2.376 178.339 176.094 -0.219 0.000 1.046 21 V CA 4.961 67.162 62.300 -0.164 0.000 1.007 21 V CB -1.676 30.073 31.823 -0.123 0.000 0.638 21 V HN 0.577 nan 8.190 nan 0.000 0.445 22 T N -0.371 113.988 114.554 -0.326 0.000 2.653 22 T HA -0.198 4.153 4.350 0.001 0.000 0.268 22 T C 2.278 176.754 174.700 -0.373 0.000 1.035 22 T CA 3.839 65.706 62.100 -0.390 0.000 1.154 22 T CB -0.911 67.508 68.868 -0.749 0.000 0.862 22 T HN 1.131 nan 8.240 nan 0.000 0.441 23 S N 0.998 116.432 115.700 -0.443 0.000 2.419 23 S HA 0.299 4.769 4.470 0.001 0.000 0.235 23 S C 1.723 176.209 174.600 -0.190 0.000 1.019 23 S CA 2.039 60.053 58.200 -0.309 0.000 0.982 23 S CB -1.790 61.250 63.200 -0.267 0.000 0.789 23 S HN 1.198 nan 8.310 nan 0.000 0.490 24 T N -0.469 113.983 114.554 -0.170 0.000 0.000 24 T HA 0.339 4.689 4.350 0.001 0.000 0.000 24 T C 0.439 175.075 174.700 -0.107 0.000 0.000 24 T CA 1.799 63.826 62.100 -0.122 0.000 0.000 24 T CB -0.933 67.872 68.868 -0.105 0.000 0.000 24 T HN 1.514 nan 8.240 nan 0.000 0.000 25 D N -2.068 nan 120.400 nan 0.000 0.000 25 D HA 0.870 5.510 4.640 0.001 0.000 0.000 25 D C -0.477 nan 176.300 nan 0.000 0.000 25 D CA 0.802 54.742 54.000 -0.100 0.000 0.000 25 D CB -0.438 nan 40.800 nan 0.000 0.000 25 D HN 2.032 nan 8.370 nan 0.000 0.000 26 N N -2.725 nan 118.700 nan 0.000 0.000 26 N HA 1.175 5.916 4.740 0.001 0.000 0.000 26 N C 0.037 nan 175.510 nan 0.000 0.000 26 N CA 1.242 54.253 53.050 -0.065 0.000 0.000 26 N CB 0.533 nan 38.487 nan 0.000 0.000 26 N HN 2.371 nan 8.380 nan 0.000 0.000 27 R N -2.296 nan 120.500 nan 0.000 0.000 27 R HA 1.160 5.501 4.340 0.001 0.000 0.000 27 R C -0.784 nan 176.300 nan 0.000 0.000 27 R CA 0.580 56.648 56.100 -0.054 0.000 0.000 27 R CB -1.249 nan 30.300 nan 0.000 0.000 27 R HN 2.698 nan 8.270 nan 0.000 0.000 28 L N -3.784 nan 121.223 nan 0.000 0.000 28 L HA 1.033 5.374 4.340 0.001 0.000 0.000 28 L C 0.090 nan 176.870 nan 0.000 0.000 28 L CA -0.312 54.499 54.840 -0.048 0.000 0.000 28 L CB -0.289 nan 42.059 nan 0.000 0.000 28 L HN 2.984 nan 8.230 nan 0.000 0.000 29 Y N -2.508 nan 120.300 nan 0.000 0.000 29 Y HA 1.102 5.653 4.550 0.001 0.000 0.000 29 Y C 0.107 nan 175.900 nan 0.000 0.000 29 Y CA -0.397 57.684 58.100 -0.033 0.000 0.000 29 Y CB -0.372 nan 38.460 nan 0.000 0.000 29 Y HN 2.949 nan 8.280 nan 0.000 0.000 30 V N -1.324 nan 119.914 nan 0.000 0.000 30 V HA 0.985 5.105 4.120 0.001 0.000 0.000 30 V C -0.082 nan 176.094 nan 0.000 0.000 30 V CA -0.474 61.813 62.300 -0.023 0.000 0.000 30 V CB 0.868 nan 31.823 nan 0.000 0.000 30 V HN 2.935 nan 8.190 nan 0.000 0.000 31 G N -2.457 106.348 108.800 0.009 0.000 0.000 31 G HA2 0.413 4.373 3.960 0.001 0.000 0.000 31 G HA3 0.413 4.373 3.960 0.001 0.000 0.000 31 G C -0.197 174.792 174.900 0.149 0.000 0.000 31 G CA 0.352 45.459 45.100 0.011 0.000 0.000 31 G HN 1.385 nan 8.290 nan 0.000 0.000 32 W N -0.544 120.789 121.300 0.054 0.000 2.274 32 W HA -0.280 4.380 4.660 0.001 0.000 0.338 32 W C 2.507 179.043 176.519 0.029 0.000 1.348 32 W CA 1.546 58.900 57.345 0.015 0.000 1.202 32 W CB -0.458 28.980 29.460 -0.037 0.000 1.116 32 W HN 0.427 nan 8.180 nan 0.000 0.473 33 F N 0.334 120.481 119.950 0.328 0.000 2.082 33 F HA -0.311 4.216 4.527 0.001 0.000 0.298 33 F C 2.512 178.396 175.800 0.140 0.000 1.091 33 F CA 1.978 60.085 58.000 0.179 0.000 1.230 33 F CB -1.506 37.587 39.000 0.155 0.000 0.983 33 F HN 0.013 nan 8.300 nan 0.000 0.485 34 G N -0.183 108.807 108.800 0.318 0.000 2.505 34 G HA2 -0.294 3.667 3.960 0.001 0.000 0.220 34 G HA3 -0.294 3.667 3.960 0.001 0.000 0.220 34 G C 1.723 176.726 174.900 0.172 0.000 1.145 34 G CA 1.281 46.500 45.100 0.198 0.000 0.761 34 G HN 0.307 nan 8.290 nan 0.000 0.571 35 V N 0.398 120.429 119.914 0.195 0.000 2.842 35 V HA -0.221 3.899 4.120 0.001 0.000 0.267 35 V C 2.350 178.517 176.094 0.120 0.000 1.144 35 V CA 1.794 64.195 62.300 0.169 0.000 1.156 35 V CB -0.345 31.620 31.823 0.237 0.000 0.731 35 V HN 0.499 nan 8.190 nan 0.000 0.509 36 I N -2.646 117.998 120.570 0.123 0.000 3.570 36 I HA -0.013 4.157 4.170 0.001 0.000 0.270 36 I C 2.068 178.247 176.117 0.105 0.000 1.162 36 I CA 0.569 61.926 61.300 0.096 0.000 1.413 36 I CB -0.142 37.912 38.000 0.089 0.000 1.437 36 I HN 0.198 nan 8.210 nan 0.000 0.457 37 M N 1.762 121.444 119.600 0.137 0.000 2.399 37 M HA -0.296 4.184 4.480 0.001 0.000 0.263 37 M C 2.349 178.707 176.300 0.097 0.000 1.067 37 M CA 2.394 57.765 55.300 0.118 0.000 1.084 37 M CB -0.275 32.415 32.600 0.151 0.000 1.252 37 M HN 0.111 nan 8.290 nan 0.000 0.454 38 I N 0.355 120.987 120.570 0.103 0.000 2.195 38 I HA -0.375 3.795 4.170 0.001 0.000 0.232 38 I C -0.682 175.485 176.117 0.084 0.000 0.986 38 I CA 2.559 63.910 61.300 0.086 0.000 1.283 38 I CB -2.183 35.867 38.000 0.082 0.000 0.990 38 I HN 0.345 nan 8.210 nan 0.000 0.390 39 P HA -0.130 nan 4.420 nan 0.000 0.215 39 P C 1.635 179.017 177.300 0.136 0.000 1.157 39 P CA 1.827 64.987 63.100 0.100 0.000 0.868 39 P CB -0.179 31.578 31.700 0.095 0.000 0.788 40 T N 0.319 114.953 114.554 0.132 0.000 2.607 40 T HA -0.157 4.193 4.350 0.001 0.000 0.267 40 T C 1.758 176.581 174.700 0.205 0.000 1.049 40 T CA 1.311 63.525 62.100 0.190 0.000 1.162 40 T CB -1.145 67.760 68.868 0.062 0.000 0.863 40 T HN 0.056 nan 8.240 nan 0.000 0.424 41 L N 0.401 121.683 121.223 0.098 0.000 2.127 41 L HA -0.088 4.252 4.340 0.001 0.000 0.211 41 L C 2.481 179.391 176.870 0.065 0.000 1.089 41 L CA 1.037 55.910 54.840 0.055 0.000 0.757 41 L CB -0.668 41.397 42.059 0.010 0.000 0.899 41 L HN 0.286 nan 8.230 nan 0.000 0.434 42 L N -0.709 120.560 121.223 0.076 0.000 2.072 42 L HA -0.139 4.201 4.340 0.001 0.000 0.205 42 L C 2.915 179.822 176.870 0.061 0.000 1.079 42 L CA 0.956 55.832 54.840 0.061 0.000 0.752 42 L CB -0.725 41.371 42.059 0.061 0.000 0.906 42 L HN 0.217 nan 8.230 nan 0.000 0.436 43 A N 0.547 123.412 122.820 0.076 0.000 1.842 43 A HA -0.287 4.034 4.320 0.001 0.000 0.217 43 A C 2.549 180.120 177.584 -0.022 0.000 1.206 43 A CA 2.321 54.365 52.037 0.012 0.000 0.630 43 A CB -1.115 17.866 19.000 -0.030 0.000 0.839 43 A HN 0.395 nan 8.150 nan 0.000 0.447 44 A N -1.147 121.655 122.820 -0.030 0.000 1.873 44 A HA -0.188 4.133 4.320 0.001 0.000 0.218 44 A C 2.323 179.959 177.584 0.088 0.000 1.193 44 A CA 2.883 54.934 52.037 0.024 0.000 0.629 44 A CB -1.706 17.353 19.000 0.098 0.000 0.826 44 A HN 0.542 nan 8.150 nan 0.000 0.447 45 T N 0.422 115.013 114.554 0.060 0.000 2.699 45 T HA -0.189 4.161 4.350 0.001 0.000 0.268 45 T C 1.785 176.549 174.700 0.106 0.000 1.036 45 T CA 1.740 63.862 62.100 0.038 0.000 1.147 45 T CB -0.519 68.349 68.868 0.001 0.000 0.862 45 T HN 0.454 nan 8.240 nan 0.000 0.446 46 I N 0.326 120.950 120.570 0.089 0.000 2.252 46 I HA -0.150 4.021 4.170 0.001 0.000 0.245 46 I C 2.897 179.094 176.117 0.134 0.000 1.102 46 I CA 0.653 62.013 61.300 0.101 0.000 1.385 46 I CB -0.467 37.575 38.000 0.070 0.000 1.064 46 I HN 0.367 nan 8.210 nan 0.000 0.414 47 C N 0.829 120.206 119.300 0.128 0.000 2.429 47 C HA -0.235 4.225 4.460 0.001 0.000 0.277 47 C C 2.814 177.918 174.990 0.189 0.000 1.262 47 C CA 0.729 59.837 59.018 0.150 0.000 1.733 47 C CB -1.030 26.786 27.740 0.127 0.000 2.010 47 C HN 0.556 nan 8.230 nan 0.000 0.483 48 F N 1.109 121.092 119.950 0.055 0.000 2.026 48 F HA -0.154 4.373 4.527 0.000 0.000 0.296 48 F C 2.235 178.095 175.800 0.100 0.000 1.133 48 F CA 2.513 60.554 58.000 0.069 0.000 1.188 48 F CB -0.752 38.265 39.000 0.028 0.000 0.968 48 F HN 0.073 nan 8.300 nan 0.000 0.476 49 V N 1.352 121.563 119.914 0.494 0.000 2.277 49 V HA -0.385 3.736 4.120 0.001 0.000 0.253 49 V C 2.342 178.536 176.094 0.167 0.000 1.067 49 V CA 2.434 64.920 62.300 0.311 0.000 1.047 49 V CB -0.675 31.273 31.823 0.210 0.000 0.649 49 V HN 0.466 nan 8.190 nan 0.000 0.447 50 I N -0.260 120.393 120.570 0.139 0.000 2.286 50 I HA -0.164 4.007 4.170 0.001 0.000 0.245 50 I C 2.625 178.796 176.117 0.090 0.000 1.104 50 I CA 1.286 62.654 61.300 0.113 0.000 1.397 50 I CB -0.621 37.447 38.000 0.114 0.000 1.072 50 I HN 0.290 nan 8.210 nan 0.000 0.417 51 A N 0.753 123.604 122.820 0.051 0.000 1.877 51 A HA -0.249 4.071 4.320 0.001 0.000 0.216 51 A C 2.283 179.842 177.584 -0.041 0.000 1.186 51 A CA 1.446 53.474 52.037 -0.014 0.000 0.620 51 A CB -1.006 17.951 19.000 -0.071 0.000 0.822 51 A HN 0.447 nan 8.150 nan 0.000 0.443 52 F N 0.415 120.208 119.950 -0.261 0.000 2.113 52 F HA -0.116 4.411 4.527 0.000 0.000 0.297 52 F C 2.047 177.789 175.800 -0.096 0.000 1.103 52 F CA 1.668 59.504 58.000 -0.273 0.000 1.248 52 F CB -0.082 38.610 39.000 -0.513 0.000 0.999 52 F HN 0.163 nan 8.300 nan 0.000 0.475 53 I N 0.175 120.922 120.570 0.296 0.000 2.142 53 I HA -0.144 4.026 4.170 0.001 0.000 0.240 53 I C 0.674 176.858 176.117 0.111 0.000 1.078 53 I CA 1.041 62.475 61.300 0.224 0.000 1.343 53 I CB -0.572 37.526 38.000 0.163 0.000 1.046 53 I HN 0.179 nan 8.210 nan 0.000 0.405 54 A N 0.348 123.228 122.820 0.100 0.000 2.456 54 A HA 0.809 5.129 4.320 0.001 0.000 0.288 54 A C -1.034 176.645 177.584 0.158 0.000 1.042 54 A CA -0.103 52.012 52.037 0.129 0.000 0.738 54 A CB 1.110 20.168 19.000 0.097 0.000 1.266 54 A HN 0.233 nan 8.150 nan 0.000 0.407 55 A N 2.959 125.901 122.820 0.203 0.000 2.594 55 A HA 0.857 5.177 4.320 0.001 0.000 0.296 55 A C -3.389 174.040 177.584 -0.259 0.000 1.061 55 A CA -1.236 50.829 52.037 0.047 0.000 0.689 55 A CB 1.062 20.032 19.000 -0.049 0.000 1.280 55 A HN 0.468 nan 8.150 nan 0.000 0.406 56 P HA 0.326 nan 4.420 nan 0.000 0.267 56 P C -2.452 174.589 177.300 -0.431 0.000 1.205 56 P CA -0.411 62.344 63.100 -0.575 0.000 0.765 56 P CB -0.224 31.347 31.700 -0.216 0.000 0.828 57 P HA -0.095 nan 4.420 nan 0.000 0.264 57 P C -0.504 176.608 177.300 -0.312 0.000 1.173 57 P CA 0.701 63.611 63.100 -0.318 0.000 0.761 57 P CB 0.286 31.837 31.700 -0.248 0.000 0.794 58 V N 2.919 122.650 119.914 -0.304 0.000 2.547 58 V HA 0.134 4.255 4.120 0.001 0.000 0.299 58 V C 0.810 176.683 176.094 -0.369 0.000 1.040 58 V CA -0.108 61.980 62.300 -0.352 0.000 0.913 58 V CB 1.684 33.334 31.823 -0.289 0.000 0.992 58 V HN 0.436 nan 8.190 nan 0.000 0.449 59 D N 3.061 123.178 120.400 -0.471 0.000 3.008 59 D HA 0.070 4.711 4.640 0.001 0.000 0.242 59 D C 1.472 177.621 176.300 -0.252 0.000 1.222 59 D CA 0.225 53.992 54.000 -0.387 0.000 0.883 59 D CB -0.219 40.300 40.800 -0.469 0.000 1.110 59 D HN 0.593 nan 8.370 nan 0.000 0.455 60 I N -0.171 120.263 120.570 -0.227 0.000 2.103 60 I HA -0.309 3.862 4.170 0.001 0.000 0.241 60 I C 0.673 176.709 176.117 -0.135 0.000 1.036 60 I CA 1.456 62.643 61.300 -0.188 0.000 1.300 60 I CB 0.212 38.106 38.000 -0.176 0.000 1.010 60 I HN 0.081 nan 8.210 nan 0.000 0.406 61 D N 0.437 120.771 120.400 -0.111 0.000 2.384 61 D HA 0.134 4.774 4.640 0.001 0.000 0.244 61 D C 0.128 176.383 176.300 -0.075 0.000 1.251 61 D CA 0.643 54.599 54.000 -0.073 0.000 0.961 61 D CB 0.446 41.212 40.800 -0.056 0.000 1.116 61 D HN 0.358 nan 8.370 nan 0.000 0.484 62 G N 0.346 109.115 108.800 -0.051 0.000 2.770 62 G HA2 0.477 4.437 3.960 0.001 0.000 0.307 62 G HA3 0.477 4.437 3.960 0.001 0.000 0.307 62 G C 0.158 175.033 174.900 -0.042 0.000 0.863 62 G CA 0.032 45.104 45.100 -0.046 0.000 1.595 62 G HN 0.472 nan 8.290 nan 0.000 0.496 63 I N 0.334 120.875 120.570 -0.048 0.000 3.048 63 I HA 0.429 4.599 4.170 0.001 0.000 0.323 63 I C -0.813 175.284 176.117 -0.033 0.000 1.933 63 I CA -0.850 60.428 61.300 -0.036 0.000 1.278 63 I CB 0.480 38.457 38.000 -0.039 0.000 1.376 63 I HN 0.202 nan 8.210 nan 0.000 0.454 64 R N 1.110 121.590 120.500 -0.033 0.000 2.521 64 R HA 0.257 4.597 4.340 0.001 0.000 0.436 64 R C -1.212 175.066 176.300 -0.036 0.000 0.917 64 R CA -0.124 55.966 56.100 -0.017 0.000 1.080 64 R CB 0.454 30.776 30.300 0.036 0.000 1.530 64 R HN 0.429 nan 8.270 nan 0.000 0.596 65 E N 1.533 121.691 120.200 -0.069 0.000 2.261 65 E HA 0.281 4.631 4.350 0.001 0.000 0.239 65 E C -2.244 174.288 176.600 -0.112 0.000 0.991 65 E CA -2.158 54.202 56.400 -0.068 0.000 0.847 65 E CB 0.624 30.292 29.700 -0.053 0.000 1.223 65 E HN -0.067 nan 8.360 nan 0.000 0.446 66 P HA -0.073 nan 4.420 nan 0.000 0.258 66 P C -0.806 176.399 177.300 -0.158 0.000 1.187 66 P CA 0.063 63.039 63.100 -0.207 0.000 0.767 66 P CB 0.704 32.278 31.700 -0.210 0.000 0.770 67 V N 3.288 123.099 119.914 -0.172 0.000 2.785 67 V HA 0.405 4.525 4.120 0.001 0.000 0.300 67 V C 0.484 176.480 176.094 -0.163 0.000 1.062 67 V CA -0.091 62.127 62.300 -0.137 0.000 1.029 67 V CB 1.599 33.345 31.823 -0.129 0.000 1.024 67 V HN 0.640 nan 8.190 nan 0.000 0.477 68 S N 0.957 116.575 115.700 -0.136 0.000 2.652 68 S HA 0.429 4.899 4.470 0.001 0.000 0.252 68 S C 0.426 174.943 174.600 -0.138 0.000 1.219 68 S CA -0.017 58.088 58.200 -0.157 0.000 1.151 68 S CB 1.088 64.207 63.200 -0.136 0.000 1.080 68 S HN 1.010 nan 8.310 nan 0.000 0.481 69 G N 1.648 110.341 108.800 -0.178 0.000 3.141 69 G HA2 0.255 4.215 3.960 0.001 0.000 0.218 69 G HA3 0.255 4.215 3.960 0.001 0.000 0.218 69 G C 0.553 175.244 174.900 -0.350 0.000 1.170 69 G CA 0.021 44.992 45.100 -0.216 0.000 0.769 69 G HN 0.845 nan 8.290 nan 0.000 0.546 70 S N -0.492 115.036 115.700 -0.286 0.000 2.632 70 S HA 0.418 4.888 4.470 0.001 0.000 0.267 70 S C 1.389 175.855 174.600 -0.223 0.000 1.276 70 S CA -0.760 57.239 58.200 -0.335 0.000 0.998 70 S CB 1.478 64.597 63.200 -0.135 0.000 0.953 70 S HN 0.012 nan 8.310 nan 0.000 0.547 71 L N 0.322 121.425 121.223 -0.201 0.000 2.027 71 L HA -0.041 4.300 4.340 0.001 0.000 0.206 71 L C 2.368 179.232 176.870 -0.010 0.000 1.074 71 L CA 1.154 55.959 54.840 -0.057 0.000 0.745 71 L CB -0.625 41.476 42.059 0.069 0.000 0.898 71 L HN 0.678 nan 8.230 nan 0.000 0.433 72 L N -1.556 119.668 121.223 0.001 0.000 2.291 72 L HA -0.180 4.160 4.340 0.001 0.000 0.214 72 L C 1.561 178.324 176.870 -0.178 0.000 1.120 72 L CA 0.911 55.700 54.840 -0.086 0.000 0.799 72 L CB -0.237 41.742 42.059 -0.133 0.000 0.925 72 L HN 0.262 nan 8.230 nan 0.000 0.446 73 Y N -0.154 120.116 120.300 -0.050 0.000 2.495 73 Y HA 0.245 4.795 4.550 0.001 0.000 0.293 73 Y C 1.272 177.145 175.900 -0.045 0.000 1.186 73 Y CA 0.329 58.403 58.100 -0.044 0.000 1.266 73 Y CB 0.418 38.847 38.460 -0.053 0.000 1.101 73 Y HN 0.185 nan 8.280 nan 0.000 0.517 74 G N 0.594 109.419 108.800 0.041 0.000 2.338 74 G HA2 -0.192 3.768 3.960 0.001 0.000 0.115 74 G HA3 -0.192 3.768 3.960 0.001 0.000 0.115 74 G C -0.634 174.268 174.900 0.003 0.000 1.053 74 G CA -0.638 44.474 45.100 0.020 0.000 0.733 74 G HN 0.416 nan 8.290 nan 0.000 0.482 75 N N -0.449 118.244 118.700 -0.013 0.000 2.509 75 N HA 0.704 5.445 4.740 0.001 0.000 0.280 75 N C -0.688 174.821 175.510 -0.001 0.000 1.306 75 N CA -0.794 52.238 53.050 -0.030 0.000 0.782 75 N CB 1.425 39.849 38.487 -0.105 0.000 1.493 75 N HN 0.392 nan 8.380 nan 0.000 0.498 76 N N -0.525 118.185 118.700 0.017 0.000 2.509 76 N HA 0.366 5.106 4.740 0.001 0.000 0.280 76 N C 0.306 175.881 175.510 0.107 0.000 1.306 76 N CA -0.653 52.435 53.050 0.063 0.000 0.782 76 N CB 0.630 39.151 38.487 0.057 0.000 1.493 76 N HN 0.440 nan 8.380 nan 0.000 0.498 77 I N 0.202 120.877 120.570 0.175 0.000 2.087 77 I HA -0.301 3.869 4.170 0.001 0.000 0.240 77 I C 1.597 177.845 176.117 0.217 0.000 1.054 77 I CA 1.569 63.032 61.300 0.271 0.000 1.311 77 I CB -0.543 37.586 38.000 0.214 0.000 1.024 77 I HN 0.476 nan 8.210 nan 0.000 0.402 78 I N 0.451 121.116 120.570 0.159 0.000 2.248 78 I HA -0.215 3.956 4.170 0.001 0.000 0.248 78 I C 1.516 177.722 176.117 0.149 0.000 1.107 78 I CA 1.381 62.782 61.300 0.169 0.000 1.373 78 I CB -1.137 36.951 38.000 0.147 0.000 1.055 78 I HN 0.354 nan 8.210 nan 0.000 0.418 79 T N 0.373 114.981 114.554 0.090 0.000 2.775 79 T HA 0.520 4.871 4.350 0.001 0.000 0.287 79 T C 0.774 175.462 174.700 -0.020 0.000 0.909 79 T CA -0.219 61.907 62.100 0.043 0.000 1.081 79 T CB -0.291 68.585 68.868 0.012 0.000 0.891 79 T HN 0.584 nan 8.240 nan 0.000 0.544 80 G N 2.982 111.784 108.800 0.002 0.000 3.157 80 G HA2 0.172 4.133 3.960 0.001 0.000 0.950 80 G HA3 0.172 4.133 3.960 0.001 0.000 0.950 80 G C 0.364 175.148 174.900 -0.194 0.000 1.490 80 G CA -0.174 44.895 45.100 -0.052 0.000 1.078 80 G HN 1.479 nan 8.290 nan 0.000 0.551 81 A N -0.785 121.942 122.820 -0.156 0.000 3.044 81 A HA 0.776 5.097 4.320 0.001 0.000 0.200 81 A C 0.331 177.762 177.584 -0.255 0.000 1.557 81 A CA 0.597 52.468 52.037 -0.276 0.000 1.647 81 A CB 0.157 19.257 19.000 0.167 0.000 1.580 81 A HN 1.692 nan 8.150 nan 0.000 0.503 82 V N 2.119 121.958 119.914 -0.124 0.000 2.353 82 V HA 0.342 4.463 4.120 0.001 0.000 0.264 82 V C -0.232 175.851 176.094 -0.018 0.000 1.049 82 V CA -0.504 61.742 62.300 -0.091 0.000 0.896 82 V CB 0.407 32.202 31.823 -0.047 0.000 1.025 82 V HN 0.395 nan 8.190 nan 0.000 0.475 83 V N 7.760 127.601 119.914 -0.122 0.000 2.740 83 V HA 0.133 4.253 4.120 0.001 0.000 0.303 83 V C -1.869 174.042 176.094 -0.305 0.000 1.054 83 V CA -1.284 60.902 62.300 -0.191 0.000 1.106 83 V CB 0.601 32.301 31.823 -0.205 0.000 0.957 83 V HN 0.684 nan 8.190 nan 0.000 0.486 84 P HA 0.067 nan 4.420 nan 0.000 0.267 84 P C 0.223 177.198 177.300 -0.543 0.000 1.201 84 P CA 0.294 62.638 63.100 -1.260 0.000 0.775 84 P CB 0.354 31.453 31.700 -1.002 0.000 0.854 85 S N 0.491 115.997 115.700 -0.323 0.000 2.737 85 S HA -0.011 4.460 4.470 0.001 0.000 0.249 85 S C 0.686 175.210 174.600 -0.126 0.000 1.415 85 S CA -0.105 58.048 58.200 -0.079 0.000 0.967 85 S CB -0.184 63.104 63.200 0.145 0.000 0.937 85 S HN 0.551 nan 8.310 nan 0.000 0.574 86 S N -0.503 115.128 115.700 -0.116 0.000 2.610 86 S HA 0.202 4.672 4.470 0.001 0.000 0.273 86 S C 0.989 175.546 174.600 -0.072 0.000 1.274 86 S CA -0.643 57.480 58.200 -0.128 0.000 1.023 86 S CB 0.405 63.509 63.200 -0.161 0.000 0.962 86 S HN 0.676 nan 8.310 nan 0.000 0.523 87 N N 2.333 120.990 118.700 -0.072 0.000 2.453 87 N HA -0.013 4.728 4.740 0.001 0.000 0.183 87 N C 1.416 176.906 175.510 -0.033 0.000 1.041 87 N CA 1.177 54.201 53.050 -0.043 0.000 0.900 87 N CB -0.169 38.293 38.487 -0.042 0.000 0.961 87 N HN 0.599 nan 8.380 nan 0.000 0.443 88 A N 0.185 122.972 122.820 -0.054 0.000 1.911 88 A HA 0.114 4.435 4.320 0.001 0.000 0.212 88 A C 2.012 179.566 177.584 -0.050 0.000 1.189 88 A CA 0.431 52.437 52.037 -0.051 0.000 0.639 88 A CB -0.391 18.568 19.000 -0.068 0.000 0.839 88 A HN 0.328 nan 8.150 nan 0.000 0.449 89 I N -0.357 120.160 120.570 -0.088 0.000 2.454 89 I HA -0.148 4.023 4.170 0.001 0.000 0.254 89 I C 2.310 178.505 176.117 0.129 0.000 1.156 89 I CA 0.847 62.108 61.300 -0.063 0.000 1.433 89 I CB -0.559 37.335 38.000 -0.178 0.000 1.082 89 I HN 0.512 nan 8.210 nan 0.000 0.432 90 G N 1.339 110.187 108.800 0.080 0.000 3.947 90 G HA2 -0.421 3.539 3.960 0.001 0.000 0.365 90 G HA3 -0.421 3.539 3.960 0.001 0.000 0.365 90 G C 0.927 175.844 174.900 0.029 0.000 1.532 90 G CA 1.409 46.547 45.100 0.063 0.000 1.426 90 G HN 0.350 nan 8.290 nan 0.000 0.794 91 L N 0.616 121.881 121.223 0.070 0.000 2.840 91 L HA 0.431 4.771 4.340 0.001 0.000 0.249 91 L C 1.348 178.346 176.870 0.213 0.000 1.119 91 L CA 0.069 54.881 54.840 -0.048 0.000 0.930 91 L CB 0.018 41.984 42.059 -0.154 0.000 1.295 91 L HN 0.574 nan 8.230 nan 0.000 0.534 92 H N -0.421 118.765 119.070 0.194 0.000 3.025 92 H HA -0.117 4.439 4.556 0.001 0.000 0.365 92 H C -0.562 175.002 175.328 0.394 0.000 1.204 92 H CA 0.977 57.177 56.048 0.254 0.000 1.406 92 H CB 0.344 30.221 29.762 0.192 0.000 1.355 92 H HN 0.090 nan 8.280 nan 0.000 0.610 93 F N 3.017 123.138 119.950 0.284 0.000 2.335 93 F HA 0.127 4.655 4.527 0.001 0.000 0.365 93 F C -0.707 175.187 175.800 0.158 0.000 1.122 93 F CA -0.603 57.479 58.000 0.136 0.000 1.151 93 F CB -0.043 38.974 39.000 0.030 0.000 1.282 93 F HN 0.396 nan 8.300 nan 0.000 0.513 94 Y N 9.137 129.275 120.300 -0.270 0.000 2.958 94 Y HA 0.373 4.923 4.550 0.001 0.000 0.336 94 Y C -2.056 173.570 175.900 -0.456 0.000 1.160 94 Y CA -2.352 55.592 58.100 -0.260 0.000 1.292 94 Y CB 0.029 38.486 38.460 -0.004 0.000 1.306 94 Y HN 0.504 nan 8.280 nan 0.000 0.547 95 P HA -0.136 nan 4.420 nan 0.000 0.212 95 P C 0.672 177.440 177.300 -0.886 0.000 1.180 95 P CA 1.205 63.603 63.100 -1.171 0.000 0.770 95 P CB 0.591 31.075 31.700 -2.027 0.000 0.568 96 I N -4.171 115.726 120.570 -1.122 0.000 4.481 96 I HA 0.108 4.278 4.170 0.001 0.000 0.353 96 I C 0.336 176.095 176.117 -0.596 0.000 1.296 96 I CA -0.086 60.539 61.300 -1.125 0.000 1.228 96 I CB 0.144 37.378 38.000 -1.276 0.000 1.725 96 I HN 0.059 nan 8.210 nan 0.000 0.608 97 W N 1.873 122.940 121.300 -0.388 0.000 2.720 97 W HA 0.240 4.900 4.660 0.001 0.000 0.301 97 W C 0.749 177.147 176.519 -0.201 0.000 1.097 97 W CA 0.098 57.303 57.345 -0.233 0.000 1.573 97 W CB -1.381 27.998 29.460 -0.136 0.000 1.160 97 W HN -0.070 nan 8.180 nan 0.000 0.520 98 E N 1.454 121.681 120.200 0.046 0.000 3.197 98 E HA 0.165 4.515 4.350 0.001 0.000 0.251 98 E C 0.231 176.826 176.600 -0.007 0.000 0.912 98 E CA 1.476 57.895 56.400 0.032 0.000 0.960 98 E CB -0.296 29.424 29.700 0.034 0.000 0.897 98 E HN 0.235 nan 8.360 nan 0.000 0.550 99 A N 2.239 125.100 122.820 0.068 0.000 2.435 99 A HA 0.058 4.378 4.320 0.001 0.000 0.686 99 A C 0.781 178.394 177.584 0.047 0.000 0.138 99 A CA -0.010 52.072 52.037 0.076 0.000 0.024 99 A CB -1.159 17.910 19.000 0.115 0.000 3.974 99 A HN 0.771 nan 8.150 nan 0.000 0.548 100 A N 1.588 124.436 122.820 0.047 0.000 1.969 100 A HA 0.402 4.723 4.320 0.001 0.000 0.218 100 A C 1.433 179.034 177.584 0.028 0.000 1.169 100 A CA 2.144 54.200 52.037 0.032 0.000 0.635 100 A CB -0.569 18.448 19.000 0.028 0.000 0.810 100 A HN 2.574 nan 8.150 nan 0.000 0.445 101 S N -1.410 114.315 115.700 0.043 0.000 2.509 101 S HA 0.519 4.989 4.470 0.001 0.000 0.297 101 S C 0.446 175.091 174.600 0.075 0.000 1.118 101 S CA -0.478 57.752 58.200 0.049 0.000 1.074 101 S CB 1.563 64.793 63.200 0.050 0.000 1.038 101 S HN 0.298 nan 8.310 nan 0.000 0.498 102 L N 1.509 122.777 121.223 0.076 0.000 2.179 102 L HA 0.185 4.525 4.340 0.001 0.000 0.208 102 L C 1.321 178.334 176.870 0.238 0.000 1.096 102 L CA 1.747 56.666 54.840 0.133 0.000 0.779 102 L CB -1.031 41.076 42.059 0.080 0.000 0.922 102 L HN 0.770 nan 8.230 nan 0.000 0.443 103 D N -0.265 120.228 120.400 0.156 0.000 2.271 103 D HA -0.240 4.401 4.640 0.001 0.000 0.207 103 D C 2.004 178.398 176.300 0.156 0.000 0.983 103 D CA 1.261 55.345 54.000 0.139 0.000 0.878 103 D CB 0.066 40.911 40.800 0.076 0.000 0.920 103 D HN 0.586 nan 8.370 nan 0.000 0.479 104 E N -1.097 119.213 120.200 0.184 0.000 2.170 104 E HA -0.121 4.230 4.350 0.001 0.000 0.191 104 E C 1.694 178.513 176.600 0.366 0.000 0.981 104 E CA 0.244 56.775 56.400 0.218 0.000 0.830 104 E CB -0.039 29.784 29.700 0.205 0.000 0.775 104 E HN 0.376 nan 8.360 nan 0.000 0.470 105 W N 1.815 123.213 121.300 0.162 0.000 2.354 105 W HA -0.159 4.502 4.660 0.000 0.000 0.315 105 W C 1.840 178.467 176.519 0.181 0.000 1.206 105 W CA 1.687 59.143 57.345 0.185 0.000 1.290 105 W CB -0.529 28.927 29.460 -0.008 0.000 1.152 105 W HN 0.017 nan 8.180 nan 0.000 0.489 106 L N -0.601 120.699 121.223 0.129 0.000 2.013 106 L HA -0.289 4.051 4.340 0.001 0.000 0.212 106 L C 2.453 179.280 176.870 -0.071 0.000 1.073 106 L CA 2.022 56.801 54.840 -0.102 0.000 0.753 106 L CB -1.791 40.289 42.059 0.035 0.000 0.890 106 L HN 0.072 nan 8.230 nan 0.000 0.432 107 Y N 1.860 122.117 120.300 -0.072 0.000 2.070 107 Y HA -0.215 4.336 4.550 0.000 0.000 0.280 107 Y C 2.272 178.110 175.900 -0.104 0.000 1.148 107 Y CA 1.690 59.740 58.100 -0.083 0.000 1.125 107 Y CB -0.311 38.130 38.460 -0.032 0.000 0.975 107 Y HN 0.220 nan 8.280 nan 0.000 0.492 108 N N 1.034 119.795 118.700 0.102 0.000 2.678 108 N HA -0.008 4.732 4.740 0.001 0.000 0.199 108 N C 0.729 176.137 175.510 -0.170 0.000 1.353 108 N CA 1.142 54.147 53.050 -0.075 0.000 0.916 108 N CB -0.968 37.454 38.487 -0.109 0.000 1.057 108 N HN 0.534 nan 8.380 nan 0.000 0.449 109 G N 0.236 108.906 108.800 -0.217 0.000 2.370 109 G HA2 -0.247 3.713 3.960 0.001 0.000 0.293 109 G HA3 -0.247 3.713 3.960 0.001 0.000 0.293 109 G C 1.053 175.795 174.900 -0.263 0.000 0.992 109 G CA 0.370 45.312 45.100 -0.263 0.000 1.247 109 G HN 0.484 nan 8.290 nan 0.000 0.505 110 G N -0.003 108.478 108.800 -0.531 0.000 2.459 110 G HA2 0.213 4.174 3.960 0.001 0.000 0.213 110 G HA3 0.213 4.174 3.960 0.001 0.000 0.213 110 G C 0.061 174.482 174.900 -0.799 0.000 1.155 110 G CA 0.938 45.636 45.100 -0.670 0.000 0.811 110 G HN 0.519 nan 8.290 nan 0.000 0.534 111 P HA -0.230 nan 4.420 nan 0.000 0.217 111 P C 1.298 178.544 177.300 -0.089 0.000 1.151 111 P CA 0.889 63.619 63.100 -0.616 0.000 0.849 111 P CB -0.099 31.299 31.700 -0.504 0.000 0.787 112 Y N 0.809 121.000 120.300 -0.182 0.000 2.081 112 Y HA -0.315 4.235 4.550 0.000 0.000 0.280 112 Y C 2.365 178.296 175.900 0.050 0.000 1.163 112 Y CA 1.865 59.938 58.100 -0.045 0.000 1.135 112 Y CB -0.822 37.603 38.460 -0.058 0.000 0.970 112 Y HN -0.016 nan 8.280 nan 0.000 0.498 113 Q N -0.486 119.435 119.800 0.202 0.000 2.181 113 Q HA -0.211 4.130 4.340 0.001 0.000 0.205 113 Q C 2.127 178.318 176.000 0.317 0.000 0.980 113 Q CA 1.443 57.398 55.803 0.252 0.000 0.862 113 Q CB -0.311 28.589 28.738 0.271 0.000 0.905 113 Q HN 0.504 nan 8.270 nan 0.000 0.429 114 L N 0.928 122.281 121.223 0.218 0.000 1.932 114 L HA -0.217 4.123 4.340 0.001 0.000 0.217 114 L C 2.041 178.992 176.870 0.135 0.000 1.077 114 L CA 1.658 56.608 54.840 0.183 0.000 0.765 114 L CB -0.733 41.434 42.059 0.180 0.000 0.888 114 L HN 0.182 nan 8.230 nan 0.000 0.433 115 I N -0.618 119.984 120.570 0.052 0.000 2.094 115 I HA -0.463 3.707 4.170 0.001 0.000 0.236 115 I C 2.465 178.585 176.117 0.006 0.000 1.016 115 I CA 2.266 63.587 61.300 0.036 0.000 1.294 115 I CB -0.684 37.332 38.000 0.028 0.000 1.006 115 I HN 0.343 nan 8.210 nan 0.000 0.397 116 I N 0.240 120.697 120.570 -0.188 0.000 2.109 116 I HA -0.401 3.769 4.170 0.001 0.000 0.233 116 I C 2.608 178.579 176.117 -0.244 0.000 1.005 116 I CA 2.219 63.317 61.300 -0.337 0.000 1.294 116 I CB -0.716 36.931 38.000 -0.587 0.000 1.005 116 I HN 0.108 nan 8.210 nan 0.000 0.392 117 F N 0.194 120.124 119.950 -0.032 0.000 2.115 117 F HA -0.295 4.232 4.527 0.001 0.000 0.300 117 F C 2.557 178.397 175.800 0.066 0.000 1.092 117 F CA 2.052 60.075 58.000 0.038 0.000 1.245 117 F CB -0.984 38.068 39.000 0.087 0.000 0.995 117 F HN 0.198 nan 8.300 nan 0.000 0.481 118 H N -1.617 117.534 119.070 0.135 0.000 2.284 118 H HA -0.101 4.455 4.556 0.001 0.000 0.304 118 H C 1.916 177.227 175.328 -0.029 0.000 1.069 118 H CA 1.613 57.705 56.048 0.074 0.000 1.327 118 H CB -1.029 28.784 29.762 0.084 0.000 1.387 118 H HN 0.164 nan 8.280 nan 0.000 0.498 119 F N 1.240 121.178 119.950 -0.020 0.000 2.041 119 F HA -0.374 4.154 4.527 0.001 0.000 0.296 119 F C 2.064 177.734 175.800 -0.217 0.000 1.147 119 F CA 1.817 59.715 58.000 -0.171 0.000 1.214 119 F CB -0.932 37.859 39.000 -0.349 0.000 0.947 119 F HN 0.068 nan 8.300 nan 0.000 0.511 120 L N 0.124 121.190 121.223 -0.263 0.000 1.980 120 L HA -0.342 3.998 4.340 0.001 0.000 0.232 120 L C 2.612 179.336 176.870 -0.244 0.000 1.092 120 L CA 2.033 56.594 54.840 -0.465 0.000 0.808 120 L CB -1.210 40.463 42.059 -0.642 0.000 0.908 120 L HN 0.416 nan 8.230 nan 0.000 0.442 121 L N -0.567 120.617 121.223 -0.065 0.000 2.211 121 L HA -0.240 4.100 4.340 0.001 0.000 0.216 121 L C 2.087 178.959 176.870 0.003 0.000 1.092 121 L CA 1.641 56.509 54.840 0.045 0.000 0.767 121 L CB -0.446 41.631 42.059 0.030 0.000 0.894 121 L HN 0.400 nan 8.230 nan 0.000 0.437 122 G N -1.775 106.953 108.800 -0.119 0.000 2.508 122 G HA2 -0.102 3.859 3.960 0.001 0.000 0.212 122 G HA3 -0.102 3.859 3.960 0.001 0.000 0.212 122 G C 1.510 176.338 174.900 -0.120 0.000 1.206 122 G CA 0.397 45.433 45.100 -0.106 0.000 0.822 122 G HN 0.472 nan 8.290 nan 0.000 0.550 123 A N 0.440 123.005 122.820 -0.425 0.000 2.194 123 A HA 0.002 4.322 4.320 0.001 0.000 0.220 123 A C 2.468 180.134 177.584 0.137 0.000 1.162 123 A CA 2.283 54.160 52.037 -0.268 0.000 0.674 123 A CB -0.476 18.076 19.000 -0.747 0.000 0.789 123 A HN 0.406 nan 8.150 nan 0.000 0.470 124 S N -1.879 113.879 115.700 0.095 0.000 2.388 124 S HA -0.114 4.356 4.470 0.001 0.000 0.223 124 S C 1.934 176.643 174.600 0.181 0.000 1.034 124 S CA 1.143 59.486 58.200 0.238 0.000 0.963 124 S CB -0.577 62.814 63.200 0.318 0.000 0.827 124 S HN 0.672 nan 8.310 nan 0.000 0.481 125 C N 0.712 120.109 119.300 0.162 0.000 2.429 125 C HA 0.014 4.474 4.460 0.001 0.000 0.277 125 C C 2.299 177.334 174.990 0.074 0.000 1.262 125 C CA 0.835 59.963 59.018 0.184 0.000 1.733 125 C CB -1.647 26.241 27.740 0.245 0.000 2.010 125 C HN 0.802 nan 8.230 nan 0.000 0.483 126 Y N 1.060 121.352 120.300 -0.014 0.000 2.241 126 Y HA -0.313 4.238 4.550 0.001 0.000 0.286 126 Y C 2.500 178.305 175.900 -0.159 0.000 1.166 126 Y CA 2.230 60.270 58.100 -0.101 0.000 1.203 126 Y CB -0.363 38.007 38.460 -0.150 0.000 0.977 126 Y HN 0.386 nan 8.280 nan 0.000 0.529 127 M N -0.770 118.945 119.600 0.192 0.000 2.200 127 M HA -0.019 4.461 4.480 0.001 0.000 0.265 127 M C 2.226 178.446 176.300 -0.132 0.000 1.066 127 M CA 1.977 57.400 55.300 0.205 0.000 1.127 127 M CB -0.529 32.325 32.600 0.422 0.000 1.379 127 M HN 0.300 nan 8.290 nan 0.000 0.420 128 G N 0.490 109.055 108.800 -0.391 0.000 2.433 128 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 128 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 128 G C 1.655 175.910 174.900 -1.075 0.000 1.186 128 G CA 0.840 45.224 45.100 -1.193 0.000 0.779 128 G HN 0.480 nan 8.290 nan 0.000 0.543 129 R N 0.030 120.150 120.500 -0.634 0.000 2.081 129 R HA -0.119 4.222 4.340 0.001 0.000 0.235 129 R C 2.637 178.834 176.300 -0.172 0.000 1.131 129 R CA 1.731 57.745 56.100 -0.144 0.000 0.960 129 R CB -0.341 29.931 30.300 -0.046 0.000 0.856 129 R HN 0.411 nan 8.270 nan 0.000 0.436 130 Q N -0.470 119.134 119.800 -0.326 0.000 2.290 130 Q HA -0.232 4.109 4.340 0.001 0.000 0.211 130 Q C 1.354 177.327 176.000 -0.044 0.000 0.991 130 Q CA 2.366 57.989 55.803 -0.299 0.000 0.893 130 Q CB -0.354 28.188 28.738 -0.326 0.000 0.913 130 Q HN 0.641 nan 8.270 nan 0.000 0.428 131 W N -0.788 120.412 121.300 -0.166 0.000 2.808 131 W HA 0.267 4.927 4.660 0.001 0.000 0.266 131 W C 1.418 177.954 176.519 0.028 0.000 1.247 131 W CA 0.125 57.439 57.345 -0.052 0.000 1.440 131 W CB 0.198 29.631 29.460 -0.044 0.000 1.040 131 W HN 0.051 nan 8.180 nan 0.000 0.606 132 E N 1.256 121.265 120.200 -0.318 0.000 2.021 132 E HA -0.284 4.066 4.350 0.001 0.000 0.200 132 E C 2.038 178.325 176.600 -0.521 0.000 1.015 132 E CA 2.348 58.340 56.400 -0.679 0.000 0.824 132 E CB -0.813 28.887 29.700 0.000 0.000 0.762 132 E HN 0.286 nan 8.360 nan 0.000 0.454 133 L N 1.191 122.251 121.223 -0.272 0.000 2.556 133 L HA -0.203 4.138 4.340 0.001 0.000 0.230 133 L C 2.223 178.950 176.870 -0.238 0.000 1.163 133 L CA 0.246 54.959 54.840 -0.212 0.000 0.819 133 L CB -0.373 41.597 42.059 -0.149 0.000 0.939 133 L HN 0.101 nan 8.230 nan 0.000 0.452 134 S N -0.921 114.571 115.700 -0.347 0.000 2.317 134 S HA -0.166 4.305 4.470 0.001 0.000 0.212 134 S C 1.216 175.666 174.600 -0.250 0.000 1.030 134 S CA 0.335 58.378 58.200 -0.261 0.000 0.970 134 S CB -0.343 62.692 63.200 -0.275 0.000 0.928 134 S HN 0.412 nan 8.310 nan 0.000 0.451 135 Y N 3.105 123.049 120.300 -0.593 0.000 2.981 135 Y HA 0.126 4.676 4.550 0.001 0.000 0.378 135 Y C 0.764 176.483 175.900 -0.303 0.000 1.047 135 Y CA 0.256 58.120 58.100 -0.394 0.000 1.698 135 Y CB -0.451 37.716 38.460 -0.487 0.000 1.780 135 Y HN 0.014 nan 8.280 nan 0.000 0.452 136 R N 0.745 121.066 120.500 -0.299 0.000 2.452 136 R HA 0.228 4.568 4.340 0.001 0.000 0.345 136 R C -0.310 175.874 176.300 -0.192 0.000 0.798 136 R CA 0.187 56.131 56.100 -0.261 0.000 1.050 136 R CB -0.121 30.054 30.300 -0.207 0.000 1.726 136 R HN 0.531 nan 8.270 nan 0.000 0.510 137 L N -1.673 119.447 121.223 -0.172 0.000 4.228 137 L HA 0.222 4.562 4.340 0.001 0.000 0.415 137 L C 0.900 177.709 176.870 -0.102 0.000 1.154 137 L CA 0.467 55.232 54.840 -0.124 0.000 1.451 137 L CB 1.306 43.301 42.059 -0.106 0.000 1.562 137 L HN 0.287 nan 8.230 nan 0.000 0.617 138 G N 0.789 109.523 108.800 -0.110 0.000 2.284 138 G HA2 -0.356 3.604 3.960 0.001 0.000 0.230 138 G HA3 -0.356 3.604 3.960 0.001 0.000 0.230 138 G C 0.404 175.280 174.900 -0.040 0.000 1.021 138 G CA 0.326 45.384 45.100 -0.070 0.000 0.619 138 G HN 0.162 nan 8.290 nan 0.000 0.510 139 M N 1.080 120.648 119.600 -0.054 0.000 2.138 139 M HA 0.198 4.678 4.480 0.001 0.000 0.301 139 M C 0.930 177.239 176.300 0.015 0.000 0.929 139 M CA 1.138 56.417 55.300 -0.035 0.000 0.994 139 M CB 0.246 32.811 32.600 -0.058 0.000 1.379 139 M HN 0.395 nan 8.290 nan 0.000 0.416 140 R N 2.973 123.489 120.500 0.027 0.000 2.393 140 R HA 0.358 4.698 4.340 0.001 0.000 0.310 140 R C -2.030 174.366 176.300 0.161 0.000 0.968 140 R CA -1.741 54.413 56.100 0.091 0.000 0.867 140 R CB 0.705 31.027 30.300 0.037 0.000 1.124 140 R HN 0.521 nan 8.270 nan 0.000 0.450 141 P HA -0.303 nan 4.420 nan 0.000 0.220 141 P C 0.641 178.197 177.300 0.427 0.000 0.963 141 P CA 0.539 63.903 63.100 0.441 0.000 1.015 141 P CB -0.022 31.947 31.700 0.448 0.000 0.609 142 W N -1.042 120.347 121.300 0.148 0.000 1.649 142 W HA -0.389 4.272 4.660 0.001 0.000 0.316 142 W C 1.982 178.543 176.519 0.071 0.000 1.812 142 W CA 2.273 59.673 57.345 0.093 0.000 2.192 142 W CB -2.038 27.467 29.460 0.075 0.000 0.939 142 W HN 0.070 nan 8.180 nan 0.000 0.456 143 I N 0.637 121.458 120.570 0.419 0.000 2.227 143 I HA -0.446 3.724 4.170 0.001 0.000 0.250 143 I C 2.811 179.062 176.117 0.223 0.000 1.087 143 I CA 2.296 63.753 61.300 0.261 0.000 1.352 143 I CB -0.788 37.298 38.000 0.143 0.000 1.043 143 I HN 0.412 nan 8.210 nan 0.000 0.425 144 C N 0.075 119.519 119.300 0.240 0.000 2.398 144 C HA -0.157 4.303 4.460 0.001 0.000 0.276 144 C C 2.763 177.866 174.990 0.188 0.000 1.222 144 C CA 1.317 60.464 59.018 0.215 0.000 1.746 144 C CB -0.838 27.052 27.740 0.251 0.000 2.039 144 C HN 0.396 nan 8.230 nan 0.000 0.470 145 V N 1.523 121.523 119.914 0.144 0.000 2.809 145 V HA -0.036 4.084 4.120 0.001 0.000 0.256 145 V C 2.870 178.975 176.094 0.019 0.000 1.080 145 V CA 1.729 64.088 62.300 0.098 0.000 1.102 145 V CB -1.172 30.678 31.823 0.045 0.000 0.705 145 V HN 0.715 nan 8.190 nan 0.000 0.475 146 A N -0.849 121.990 122.820 0.032 0.000 1.930 146 A HA -0.245 4.075 4.320 0.001 0.000 0.217 146 A C 2.099 179.685 177.584 0.004 0.000 1.175 146 A CA 1.728 53.732 52.037 -0.055 0.000 0.627 146 A CB -0.659 18.371 19.000 0.049 0.000 0.815 146 A HN 0.667 nan 8.150 nan 0.000 0.443 147 Y N 0.776 121.074 120.300 -0.004 0.000 2.546 147 Y HA 0.006 4.557 4.550 0.001 0.000 0.287 147 Y C 2.347 178.276 175.900 0.049 0.000 1.158 147 Y CA 0.951 59.073 58.100 0.037 0.000 1.307 147 Y CB 0.088 38.614 38.460 0.110 0.000 1.036 147 Y HN 0.411 nan 8.280 nan 0.000 0.532 148 S N -0.680 115.045 115.700 0.042 0.000 2.561 148 S HA 0.033 4.503 4.470 0.001 0.000 0.225 148 S C 1.788 176.413 174.600 0.041 0.000 0.977 148 S CA 0.488 58.722 58.200 0.057 0.000 0.926 148 S CB -0.188 63.133 63.200 0.200 0.000 0.769 148 S HN 0.444 nan 8.310 nan 0.000 0.533 149 A N 2.235 124.952 122.820 -0.171 0.000 1.943 149 A HA 0.374 4.694 4.320 0.001 0.000 0.213 149 A C -0.243 177.251 177.584 -0.149 0.000 1.181 149 A CA 0.421 52.298 52.037 -0.266 0.000 0.653 149 A CB -1.152 17.495 19.000 -0.589 0.000 0.833 149 A HN 0.544 nan 8.150 nan 0.000 0.451 150 P HA -0.006 nan 4.420 nan 0.000 0.222 150 P C 1.570 178.763 177.300 -0.178 0.000 1.157 150 P CA 0.290 63.278 63.100 -0.187 0.000 0.816 150 P CB 0.071 31.649 31.700 -0.203 0.000 0.813 151 L N 0.052 121.083 121.223 -0.319 0.000 2.012 151 L HA -0.184 4.157 4.340 0.001 0.000 0.210 151 L C 2.191 179.192 176.870 0.219 0.000 1.073 151 L CA 2.090 56.877 54.840 -0.088 0.000 0.748 151 L CB -1.443 40.573 42.059 -0.072 0.000 0.891 151 L HN -0.117 nan 8.230 nan 0.000 0.431 152 A N -1.146 121.775 122.820 0.170 0.000 1.852 152 A HA -0.313 4.007 4.320 0.001 0.000 0.217 152 A C 2.346 180.067 177.584 0.230 0.000 1.215 152 A CA 2.605 54.777 52.037 0.226 0.000 0.641 152 A CB -1.410 17.706 19.000 0.194 0.000 0.838 152 A HN 0.529 nan 8.150 nan 0.000 0.450 153 S N -0.431 115.353 115.700 0.140 0.000 2.441 153 S HA -0.132 4.339 4.470 0.001 0.000 0.242 153 S C 1.941 176.611 174.600 0.116 0.000 1.018 153 S CA 1.365 59.630 58.200 0.109 0.000 0.988 153 S CB -0.410 62.822 63.200 0.053 0.000 0.778 153 S HN 0.866 nan 8.310 nan 0.000 0.498 154 A N -0.221 122.663 122.820 0.107 0.000 1.997 154 A HA 0.307 4.627 4.320 0.001 0.000 0.212 154 A C 1.638 179.264 177.584 0.070 0.000 1.178 154 A CA 0.229 52.292 52.037 0.044 0.000 0.698 154 A CB -0.459 18.466 19.000 -0.126 0.000 0.842 154 A HN 0.451 nan 8.150 nan 0.000 0.458 155 F N 0.448 120.467 119.950 0.115 0.000 2.259 155 F HA -0.014 4.514 4.527 0.001 0.000 0.298 155 F C 2.668 178.573 175.800 0.176 0.000 1.088 155 F CA 0.844 58.924 58.000 0.134 0.000 1.358 155 F CB -0.181 38.874 39.000 0.093 0.000 1.040 155 F HN 0.269 nan 8.300 nan 0.000 0.505 156 A N -0.083 122.924 122.820 0.311 0.000 1.845 156 A HA -0.158 4.163 4.320 0.001 0.000 0.215 156 A C 2.150 179.843 177.584 0.181 0.000 1.195 156 A CA 1.998 54.176 52.037 0.235 0.000 0.616 156 A CB -1.228 17.878 19.000 0.176 0.000 0.832 156 A HN 0.120 nan 8.150 nan 0.000 0.443 157 V N -1.612 118.360 119.914 0.097 0.000 3.444 157 V HA -0.053 4.067 4.120 0.001 0.000 0.271 157 V C 1.264 177.100 176.094 -0.429 0.000 1.188 157 V CA 1.450 63.612 62.300 -0.230 0.000 1.168 157 V CB -1.130 30.495 31.823 -0.330 0.000 0.810 157 V HN 0.578 nan 8.190 nan 0.000 0.500 158 F N -2.754 117.159 119.950 -0.062 0.000 2.883 158 F HA 0.282 4.809 4.527 0.000 0.000 0.351 158 F C 1.199 177.031 175.800 0.053 0.000 0.970 158 F CA 0.042 58.001 58.000 -0.068 0.000 1.130 158 F CB 0.571 39.420 39.000 -0.251 0.000 1.015 158 F HN 0.044 nan 8.300 nan 0.000 0.585 159 L N -0.573 120.827 121.223 0.295 0.000 2.666 159 L HA 0.295 4.635 4.340 0.001 0.000 0.184 159 L C 1.853 178.880 176.870 0.262 0.000 1.092 159 L CA 0.797 55.832 54.840 0.324 0.000 0.857 159 L CB -0.625 41.654 42.059 0.365 0.000 1.281 159 L HN -0.174 nan 8.230 nan 0.000 0.489 160 I N -0.089 120.633 120.570 0.253 0.000 2.069 160 I HA -0.347 3.823 4.170 0.001 0.000 0.237 160 I C 2.504 178.646 176.117 0.042 0.000 1.053 160 I CA 2.039 63.438 61.300 0.164 0.000 1.311 160 I CB -1.644 36.495 38.000 0.231 0.000 1.030 160 I HN 0.353 nan 8.210 nan 0.000 0.398 161 Y N 2.127 122.445 120.300 0.030 0.000 2.081 161 Y HA -0.230 4.320 4.550 0.001 0.000 0.280 161 Y C -0.273 175.606 175.900 -0.036 0.000 1.163 161 Y CA 2.459 60.571 58.100 0.020 0.000 1.135 161 Y CB -1.593 36.940 38.460 0.122 0.000 0.970 161 Y HN 0.158 nan 8.280 nan 0.000 0.498 162 P HA -0.183 nan 4.420 nan 0.000 0.215 162 P C 1.600 178.739 177.300 -0.268 0.000 1.157 162 P CA 2.041 65.082 63.100 -0.099 0.000 0.863 162 P CB -0.104 31.595 31.700 -0.002 0.000 0.787 163 I N -1.114 119.339 120.570 -0.194 0.000 2.567 163 I HA -0.160 4.010 4.170 0.001 0.000 0.257 163 I C 2.259 178.146 176.117 -0.383 0.000 1.184 163 I CA 1.542 62.714 61.300 -0.214 0.000 1.451 163 I CB -0.969 36.997 38.000 -0.057 0.000 1.089 163 I HN 0.047 nan 8.210 nan 0.000 0.441 164 G N -0.053 108.415 108.800 -0.553 0.000 2.396 164 G HA2 -0.150 3.810 3.960 0.001 0.000 0.214 164 G HA3 -0.150 3.810 3.960 0.001 0.000 0.214 164 G C 1.438 176.032 174.900 -0.510 0.000 1.166 164 G CA 0.126 44.736 45.100 -0.816 0.000 0.793 164 G HN 0.399 nan 8.290 nan 0.000 0.533 165 Q N -0.311 119.208 119.800 -0.470 0.000 2.198 165 Q HA 0.322 4.662 4.340 0.001 0.000 0.209 165 Q C 1.223 177.088 176.000 -0.226 0.000 0.848 165 Q CA 0.195 55.795 55.803 -0.338 0.000 0.974 165 Q CB 0.925 29.421 28.738 -0.402 0.000 1.115 165 Q HN 0.481 nan 8.270 nan 0.000 0.494 166 G N 1.395 110.055 108.800 -0.233 0.000 2.132 166 G HA2 -0.245 3.715 3.960 0.001 0.000 0.234 166 G HA3 -0.245 3.715 3.960 0.001 0.000 0.234 166 G C -0.016 174.767 174.900 -0.195 0.000 0.989 166 G CA 0.398 45.388 45.100 -0.184 0.000 0.676 166 G HN 0.317 nan 8.290 nan 0.000 0.522 167 S N -1.904 113.638 115.700 -0.264 0.000 2.635 167 S HA 0.407 4.877 4.470 0.001 0.000 0.327 167 S C 0.635 175.122 174.600 -0.188 0.000 0.917 167 S CA 0.193 58.236 58.200 -0.263 0.000 0.827 167 S CB -0.360 62.783 63.200 -0.095 0.000 1.065 167 S HN 0.752 nan 8.310 nan 0.000 0.474 168 F N 2.687 122.713 119.950 0.127 0.000 2.287 168 F HA -0.049 4.478 4.527 0.001 0.000 0.301 168 F C 2.804 178.622 175.800 0.029 0.000 1.069 168 F CA 1.436 59.530 58.000 0.157 0.000 1.372 168 F CB -0.749 38.434 39.000 0.305 0.000 1.056 168 F HN 0.647 nan 8.300 nan 0.000 0.523 169 S N -0.851 114.918 115.700 0.116 0.000 2.389 169 S HA -0.180 4.290 4.470 0.001 0.000 0.231 169 S C 0.783 175.372 174.600 -0.019 0.000 1.052 169 S CA 1.474 59.666 58.200 -0.013 0.000 1.053 169 S CB -0.429 62.761 63.200 -0.016 0.000 0.886 169 S HN 0.253 nan 8.310 nan 0.000 0.456 170 D N -0.931 119.511 120.400 0.069 0.000 2.385 170 D HA 0.546 5.187 4.640 0.001 0.000 0.254 170 D C 0.238 176.679 176.300 0.236 0.000 1.053 170 D CA 0.696 54.796 54.000 0.165 0.000 0.992 170 D CB 1.108 42.056 40.800 0.246 0.000 1.145 170 D HN 0.432 nan 8.370 nan 0.000 0.523 171 G N 1.122 110.114 108.800 0.319 0.000 3.269 171 G HA2 -0.181 3.779 3.960 0.001 0.000 0.668 171 G HA3 -0.181 3.779 3.960 0.001 0.000 0.668 171 G C 0.193 174.817 174.900 -0.460 0.000 1.100 171 G CA -0.232 44.898 45.100 0.049 0.000 0.940 171 G HN 0.577 nan 8.290 nan 0.000 0.438 172 M N 2.631 121.468 119.600 -1.272 0.000 2.129 172 M HA -0.100 4.380 4.480 0.001 0.000 0.548 172 M C -1.792 174.168 176.300 -0.566 0.000 1.200 172 M CA 0.819 55.434 55.300 -1.142 0.000 0.569 172 M CB 0.175 31.770 32.600 -1.675 0.000 1.920 172 M HN 0.371 nan 8.290 nan 0.000 0.586 173 P HA 0.372 nan 4.420 nan 0.000 0.282 173 P C -1.015 176.298 177.300 0.022 0.000 1.259 173 P CA -0.643 62.433 63.100 -0.040 0.000 0.826 173 P CB 0.735 32.381 31.700 -0.090 0.000 1.064 174 L N 1.258 122.578 121.223 0.161 0.000 2.397 174 L HA 0.621 4.961 4.340 0.001 0.000 0.271 174 L C 1.001 177.965 176.870 0.157 0.000 1.148 174 L CA 0.151 55.109 54.840 0.197 0.000 0.825 174 L CB -0.456 41.791 42.059 0.313 0.000 1.117 174 L HN 0.681 nan 8.230 nan 0.000 0.456 175 G N 2.017 110.929 108.800 0.186 0.000 2.617 175 G HA2 -0.120 3.840 3.960 0.001 0.000 0.686 175 G HA3 -0.120 3.840 3.960 0.001 0.000 0.686 175 G C 0.253 175.185 174.900 0.053 0.000 1.214 175 G CA -0.516 44.700 45.100 0.194 0.000 0.796 175 G HN 0.536 nan 8.290 nan 0.000 0.654 176 I N 0.814 121.423 120.570 0.065 0.000 2.044 176 I HA -0.275 3.896 4.170 0.001 0.000 0.234 176 I C 2.973 179.047 176.117 -0.071 0.000 1.031 176 I CA 2.456 63.728 61.300 -0.047 0.000 1.305 176 I CB -0.804 37.280 38.000 0.139 0.000 1.026 176 I HN 0.639 nan 8.210 nan 0.000 0.392 177 S N 0.888 116.703 115.700 0.191 0.000 2.353 177 S HA -0.178 4.292 4.470 0.001 0.000 0.222 177 S C 2.117 176.804 174.600 0.145 0.000 1.035 177 S CA 1.437 59.819 58.200 0.304 0.000 1.025 177 S CB -1.104 62.214 63.200 0.197 0.000 0.902 177 S HN 0.688 nan 8.310 nan 0.000 0.440 178 G N 1.354 110.184 108.800 0.051 0.000 2.503 178 G HA2 -0.279 3.682 3.960 0.001 0.000 0.221 178 G HA3 -0.279 3.682 3.960 0.001 0.000 0.221 178 G C 1.416 176.323 174.900 0.011 0.000 1.131 178 G CA 1.765 46.876 45.100 0.018 0.000 0.756 178 G HN 0.526 nan 8.290 nan 0.000 0.572 179 T N 0.787 115.295 114.554 -0.078 0.000 2.732 179 T HA -0.034 4.317 4.350 0.001 0.000 0.261 179 T C 2.062 176.753 174.700 -0.014 0.000 1.040 179 T CA 1.032 63.064 62.100 -0.113 0.000 1.145 179 T CB -0.446 68.234 68.868 -0.314 0.000 0.866 179 T HN 0.311 nan 8.240 nan 0.000 0.427 180 F N 2.206 122.196 119.950 0.067 0.000 2.147 180 F HA -0.202 4.325 4.527 0.000 0.000 0.301 180 F C 2.503 178.327 175.800 0.041 0.000 1.084 180 F CA 0.955 58.985 58.000 0.050 0.000 1.268 180 F CB -0.434 38.589 39.000 0.038 0.000 1.009 180 F HN 0.254 nan 8.300 nan 0.000 0.486 181 N N 0.581 119.408 118.700 0.212 0.000 2.073 181 N HA -0.248 4.492 4.740 0.001 0.000 0.190 181 N C 2.034 177.609 175.510 0.108 0.000 1.075 181 N CA 1.283 54.410 53.050 0.128 0.000 0.866 181 N CB -0.728 37.815 38.487 0.092 0.000 1.051 181 N HN 0.140 nan 8.380 nan 0.000 0.437 182 F N 1.707 121.631 119.950 -0.044 0.000 2.162 182 F HA -0.404 4.124 4.527 0.001 0.000 0.279 182 F C 2.765 178.531 175.800 -0.056 0.000 1.109 182 F CA 2.837 60.783 58.000 -0.090 0.000 1.357 182 F CB -0.974 37.921 39.000 -0.174 0.000 0.904 182 F HN 0.283 nan 8.300 nan 0.000 0.513 183 M N -0.069 119.473 119.600 -0.096 0.000 2.151 183 M HA -0.318 4.162 4.480 0.001 0.000 0.256 183 M C 2.199 178.436 176.300 -0.106 0.000 1.072 183 M CA 2.790 57.999 55.300 -0.152 0.000 1.090 183 M CB -0.586 32.053 32.600 0.064 0.000 1.294 183 M HN 0.431 nan 8.290 nan 0.000 0.415 184 I N -0.899 119.661 120.570 -0.016 0.000 2.058 184 I HA -0.337 3.834 4.170 0.001 0.000 0.235 184 I C 2.257 178.328 176.117 -0.075 0.000 1.053 184 I CA 1.567 62.858 61.300 -0.015 0.000 1.313 184 I CB -0.804 37.205 38.000 0.016 0.000 1.039 184 I HN 0.172 nan 8.210 nan 0.000 0.396 185 V N 1.118 120.963 119.914 -0.115 0.000 2.230 185 V HA -0.416 3.704 4.120 0.001 0.000 0.256 185 V C 2.311 178.266 176.094 -0.231 0.000 1.064 185 V CA 2.750 64.918 62.300 -0.220 0.000 1.050 185 V CB -0.980 30.701 31.823 -0.236 0.000 0.666 185 V HN 0.405 nan 8.190 nan 0.000 0.457 186 F N 0.313 120.019 119.950 -0.407 0.000 2.141 186 F HA -0.308 4.220 4.527 0.001 0.000 0.300 186 F C 2.649 178.327 175.800 -0.204 0.000 1.079 186 F CA 2.483 60.260 58.000 -0.372 0.000 1.264 186 F CB -0.259 38.322 39.000 -0.697 0.000 1.011 186 F HN 0.201 nan 8.300 nan 0.000 0.487 187 Q N 0.407 120.205 119.800 -0.003 0.000 2.230 187 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 187 Q C 2.094 178.033 176.000 -0.100 0.000 0.963 187 Q CA 1.326 57.115 55.803 -0.022 0.000 0.866 187 Q CB -0.282 28.455 28.738 -0.001 0.000 0.931 187 Q HN 0.497 nan 8.270 nan 0.000 0.452 188 A N 0.248 122.986 122.820 -0.137 0.000 2.123 188 A HA -0.042 4.278 4.320 0.001 0.000 0.214 188 A C 1.598 179.053 177.584 -0.214 0.000 1.152 188 A CA 0.643 52.599 52.037 -0.134 0.000 0.728 188 A CB -0.070 18.864 19.000 -0.109 0.000 0.814 188 A HN 0.406 nan 8.150 nan 0.000 0.464 189 E N -1.436 118.549 120.200 -0.359 0.000 2.447 189 E HA 0.019 4.369 4.350 0.001 0.000 0.195 189 E C 0.323 176.427 176.600 -0.826 0.000 1.028 189 E CA 0.351 56.398 56.400 -0.587 0.000 0.876 189 E CB 0.139 29.382 29.700 -0.760 0.000 0.885 189 E HN 0.717 nan 8.360 nan 0.000 0.500 190 H N -1.237 117.631 119.070 -0.336 0.000 3.726 190 H HA 0.135 4.691 4.556 0.001 0.000 0.262 190 H C 0.263 175.500 175.328 -0.151 0.000 1.181 190 H CA -0.117 55.765 56.048 -0.276 0.000 1.143 190 H CB 0.729 30.235 29.762 -0.427 0.000 1.627 190 H HN 0.031 nan 8.280 nan 0.000 0.750 191 N N 1.368 120.054 118.700 -0.024 0.000 2.713 191 N HA -0.188 4.552 4.740 0.001 0.000 0.251 191 N C 1.323 176.853 175.510 0.035 0.000 1.117 191 N CA 0.777 53.825 53.050 -0.003 0.000 0.770 191 N CB -1.339 37.137 38.487 -0.018 0.000 1.137 191 N HN 0.448 nan 8.380 nan 0.000 0.566 192 I N 0.514 121.114 120.570 0.049 0.000 2.267 192 I HA -0.445 3.726 4.170 0.001 0.000 0.239 192 I C 2.352 178.485 176.117 0.027 0.000 0.984 192 I CA 2.157 63.489 61.300 0.054 0.000 1.272 192 I CB -0.616 37.361 38.000 -0.039 0.000 0.976 192 I HN 0.226 nan 8.210 nan 0.000 0.407 193 L N -0.620 120.572 121.223 -0.052 0.000 2.230 193 L HA -0.258 4.082 4.340 0.001 0.000 0.217 193 L C 2.037 178.987 176.870 0.133 0.000 1.090 193 L CA 1.246 56.098 54.840 0.021 0.000 0.771 193 L CB -0.532 41.545 42.059 0.029 0.000 0.892 193 L HN 0.449 nan 8.230 nan 0.000 0.438 194 M N -1.437 118.245 119.600 0.137 0.000 2.551 194 M HA 0.167 4.648 4.480 0.001 0.000 0.252 194 M C 0.048 176.536 176.300 0.313 0.000 1.219 194 M CA 0.332 55.746 55.300 0.191 0.000 0.978 194 M CB -0.837 31.815 32.600 0.087 0.000 1.533 194 M HN 0.058 nan 8.290 nan 0.000 0.474 195 H N 0.403 119.595 119.070 0.203 0.000 2.505 195 H HA 0.328 4.885 4.556 0.001 0.000 0.338 195 H C -2.161 173.353 175.328 0.310 0.000 1.057 195 H CA -1.861 54.316 56.048 0.215 0.000 1.202 195 H CB 2.149 31.989 29.762 0.130 0.000 1.466 195 H HN -0.099 nan 8.280 nan 0.000 0.499 196 P HA -0.200 nan 4.420 nan 0.000 0.214 196 P C 1.289 178.818 177.300 0.382 0.000 1.169 196 P CA 1.464 64.820 63.100 0.426 0.000 0.908 196 P CB -0.049 31.853 31.700 0.336 0.000 0.791 197 F N -2.047 118.123 119.950 0.367 0.000 2.257 197 F HA -0.251 4.276 4.527 0.001 0.000 0.302 197 F C 2.539 178.425 175.800 0.143 0.000 1.056 197 F CA 1.508 59.609 58.000 0.167 0.000 1.353 197 F CB -1.163 37.894 39.000 0.094 0.000 1.064 197 F HN 0.208 nan 8.300 nan 0.000 0.520 198 H N -0.047 119.157 119.070 0.223 0.000 2.370 198 H HA -0.036 4.520 4.556 0.001 0.000 0.304 198 H C 2.023 177.435 175.328 0.141 0.000 1.055 198 H CA 1.239 57.379 56.048 0.153 0.000 1.373 198 H CB -0.076 29.767 29.762 0.134 0.000 1.423 198 H HN 0.277 nan 8.280 nan 0.000 0.533 199 Q N 0.572 120.523 119.800 0.251 0.000 2.118 199 Q HA -0.187 4.153 4.340 0.001 0.000 0.211 199 Q C 2.647 178.668 176.000 0.033 0.000 0.998 199 Q CA 2.020 57.905 55.803 0.137 0.000 0.872 199 Q CB -0.071 28.760 28.738 0.156 0.000 0.925 199 Q HN 0.459 nan 8.270 nan 0.000 0.414 200 L N -0.482 120.737 121.223 -0.007 0.000 2.275 200 L HA -0.101 4.239 4.340 0.001 0.000 0.215 200 L C 2.286 179.146 176.870 -0.017 0.000 1.119 200 L CA 0.820 55.618 54.840 -0.071 0.000 0.790 200 L CB -0.606 41.309 42.059 -0.241 0.000 0.919 200 L HN 0.347 nan 8.230 nan 0.000 0.443 201 G N -0.506 108.289 108.800 -0.009 0.000 2.403 201 G HA2 -0.123 3.838 3.960 0.001 0.000 0.216 201 G HA3 -0.123 3.838 3.960 0.001 0.000 0.216 201 G C 1.568 176.459 174.900 -0.015 0.000 1.154 201 G CA 0.620 45.706 45.100 -0.023 0.000 0.784 201 G HN 0.173 nan 8.290 nan 0.000 0.538 202 V N 1.497 121.380 119.914 -0.052 0.000 2.323 202 V HA -0.049 4.072 4.120 0.001 0.000 0.244 202 V C 3.300 179.527 176.094 0.223 0.000 1.041 202 V CA 1.828 64.178 62.300 0.083 0.000 1.025 202 V CB -0.796 31.021 31.823 -0.010 0.000 0.656 202 V HN 0.439 nan 8.190 nan 0.000 0.451 203 A N 0.777 123.701 122.820 0.172 0.000 1.883 203 A HA -0.132 4.189 4.320 0.001 0.000 0.217 203 A C 2.415 180.314 177.584 0.524 0.000 1.186 203 A CA 2.185 54.420 52.037 0.331 0.000 0.624 203 A CB -1.403 17.770 19.000 0.290 0.000 0.822 203 A HN 0.517 nan 8.150 nan 0.000 0.444 204 G N -0.498 108.462 108.800 0.268 0.000 2.545 204 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 204 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 204 G C 1.551 176.669 174.900 0.363 0.000 1.218 204 G CA 1.690 46.910 45.100 0.200 0.000 0.787 204 G HN 0.364 nan 8.290 nan 0.000 0.571 205 V N 0.012 120.068 119.914 0.237 0.000 2.270 205 V HA -0.074 4.046 4.120 0.001 0.000 0.245 205 V C 2.459 178.697 176.094 0.240 0.000 1.043 205 V CA 1.701 64.118 62.300 0.195 0.000 1.014 205 V CB -0.735 31.159 31.823 0.119 0.000 0.645 205 V HN 0.278 nan 8.190 nan 0.000 0.447 206 F N 1.503 121.544 119.950 0.151 0.000 2.120 206 F HA -0.159 4.369 4.527 0.001 0.000 0.300 206 F C 2.259 178.154 175.800 0.158 0.000 1.095 206 F CA 1.860 59.938 58.000 0.130 0.000 1.249 206 F CB -0.911 38.157 39.000 0.114 0.000 0.995 206 F HN 0.184 nan 8.300 nan 0.000 0.480 207 G N -0.977 108.111 108.800 0.480 0.000 2.434 207 G HA2 -0.133 3.827 3.960 0.001 0.000 0.214 207 G HA3 -0.133 3.827 3.960 0.001 0.000 0.214 207 G C 2.050 177.241 174.900 0.485 0.000 1.202 207 G CA 0.681 46.036 45.100 0.425 0.000 0.788 207 G HN 0.535 nan 8.290 nan 0.000 0.539 208 G N 1.478 110.601 108.800 0.539 0.000 2.679 208 G HA2 -0.187 3.774 3.960 0.001 0.000 0.222 208 G HA3 -0.187 3.774 3.960 0.001 0.000 0.222 208 G C 2.080 177.141 174.900 0.268 0.000 1.164 208 G CA 2.244 47.578 45.100 0.389 0.000 0.769 208 G HN 0.817 nan 8.290 nan 0.000 0.610 209 A N 0.585 123.493 122.820 0.148 0.000 1.865 209 A HA -0.003 4.317 4.320 0.001 0.000 0.217 209 A C 2.424 180.033 177.584 0.041 0.000 1.191 209 A CA 2.236 54.305 52.037 0.053 0.000 0.623 209 A CB -0.643 18.332 19.000 -0.041 0.000 0.826 209 A HN 0.885 nan 8.150 nan 0.000 0.444 210 L N -0.812 120.412 121.223 0.001 0.000 1.978 210 L HA -0.188 4.152 4.340 0.001 0.000 0.218 210 L C 2.193 178.969 176.870 -0.157 0.000 1.075 210 L CA 2.343 57.102 54.840 -0.134 0.000 0.767 210 L CB -1.438 40.450 42.059 -0.284 0.000 0.890 210 L HN 0.351 nan 8.230 nan 0.000 0.434 211 F N -0.373 119.577 119.950 -0.000 0.000 2.075 211 F HA -0.220 4.308 4.527 0.001 0.000 0.297 211 F C 2.978 178.816 175.800 0.064 0.000 1.113 211 F CA 1.856 59.877 58.000 0.036 0.000 1.218 211 F CB -1.503 37.512 39.000 0.025 0.000 0.984 211 F HN 0.411 nan 8.300 nan 0.000 0.472 212 C N 0.696 120.143 119.300 0.244 0.000 2.391 212 C HA -0.247 4.213 4.460 0.001 0.000 0.276 212 C C 3.068 178.127 174.990 0.116 0.000 1.217 212 C CA 1.235 60.351 59.018 0.164 0.000 1.766 212 C CB -1.495 26.312 27.740 0.113 0.000 2.046 212 C HN 0.505 nan 8.230 nan 0.000 0.475 213 A N 0.263 123.126 122.820 0.072 0.000 1.865 213 A HA -0.174 4.146 4.320 0.001 0.000 0.217 213 A C 2.312 179.924 177.584 0.048 0.000 1.191 213 A CA 2.229 54.286 52.037 0.032 0.000 0.623 213 A CB -0.717 18.280 19.000 -0.004 0.000 0.826 213 A HN 0.685 nan 8.150 nan 0.000 0.444 214 M N -2.262 117.383 119.600 0.075 0.000 2.091 214 M HA -0.137 4.343 4.480 0.001 0.000 0.259 214 M C 2.319 178.705 176.300 0.144 0.000 1.076 214 M CA 2.164 57.534 55.300 0.117 0.000 1.111 214 M CB -0.924 31.771 32.600 0.158 0.000 1.291 214 M HN 0.711 nan 8.290 nan 0.000 0.417 215 H N 0.195 119.309 119.070 0.072 0.000 2.260 215 H HA -0.197 4.359 4.556 0.001 0.000 0.288 215 H C 1.877 177.188 175.328 -0.028 0.000 1.094 215 H CA 2.615 58.663 56.048 -0.001 0.000 1.197 215 H CB -1.007 28.730 29.762 -0.043 0.000 1.346 215 H HN 0.432 nan 8.280 nan 0.000 0.486 216 G N -1.015 107.742 108.800 -0.072 0.000 2.469 216 G HA2 -0.349 3.611 3.960 0.001 0.000 0.219 216 G HA3 -0.349 3.611 3.960 0.001 0.000 0.219 216 G C 2.033 176.855 174.900 -0.129 0.000 1.150 216 G CA 1.547 46.553 45.100 -0.156 0.000 0.763 216 G HN 0.594 nan 8.290 nan 0.000 0.561 217 S N 0.251 115.921 115.700 -0.051 0.000 2.354 217 S HA -0.077 4.393 4.470 0.001 0.000 0.219 217 S C 2.485 177.057 174.600 -0.047 0.000 1.035 217 S CA 1.500 59.680 58.200 -0.033 0.000 1.037 217 S CB -0.417 62.790 63.200 0.012 0.000 0.956 217 S HN 0.312 nan 8.310 nan 0.000 0.428 218 L N 1.091 122.313 121.223 -0.000 0.000 2.046 218 L HA -0.062 4.278 4.340 0.001 0.000 0.208 218 L C 2.601 179.429 176.870 -0.069 0.000 1.077 218 L CA 0.958 55.814 54.840 0.028 0.000 0.747 218 L CB -0.744 41.413 42.059 0.165 0.000 0.896 218 L HN 0.231 nan 8.230 nan 0.000 0.432 219 V N -0.264 119.517 119.914 -0.221 0.000 2.214 219 V HA -0.359 3.761 4.120 0.001 0.000 0.247 219 V C 2.584 178.564 176.094 -0.191 0.000 1.051 219 V CA 2.623 64.690 62.300 -0.389 0.000 1.003 219 V CB -0.913 30.480 31.823 -0.717 0.000 0.635 219 V HN 0.474 nan 8.190 nan 0.000 0.447 220 T N 0.728 115.183 114.554 -0.164 0.000 2.685 220 T HA -0.201 4.150 4.350 0.001 0.000 0.268 220 T C 1.595 176.260 174.700 -0.059 0.000 1.034 220 T CA 1.888 63.936 62.100 -0.087 0.000 1.149 220 T CB -0.482 68.339 68.868 -0.079 0.000 0.860 220 T HN 0.709 nan 8.240 nan 0.000 0.449 221 S N 0.604 116.259 115.700 -0.074 0.000 3.009 221 S HA 0.344 4.815 4.470 0.001 0.000 0.243 221 S C 0.364 174.940 174.600 -0.041 0.000 1.012 221 S CA -0.089 58.058 58.200 -0.087 0.000 1.113 221 S CB -0.370 62.735 63.200 -0.158 0.000 0.827 221 S HN 0.360 nan 8.310 nan 0.000 0.495 222 S N -1.486 114.218 115.700 0.007 0.000 0.000 222 S HA 0.816 5.286 4.470 0.001 0.000 0.000 222 S C -1.136 173.534 174.600 0.117 0.000 0.000 222 S CA -0.065 58.181 58.200 0.076 0.000 0.000 222 S CB 0.536 63.824 63.200 0.146 0.000 0.000 222 S HN 1.649 nan 8.310 nan 0.000 0.000 223 L N -1.201 nan 121.223 nan 0.000 0.000 223 L HA 0.977 5.317 4.340 0.001 0.000 0.000 223 L C -0.144 nan 176.870 nan 0.000 0.000 223 L CA -0.124 54.758 54.840 0.071 0.000 0.000 223 L CB -0.534 nan 42.059 nan 0.000 0.000 223 L HN 2.509 nan 8.230 nan 0.000 0.000 224 I N -3.436 nan 120.570 nan 0.000 0.000 224 I HA 1.299 5.470 4.170 0.001 0.000 0.000 224 I C -0.138 nan 176.117 nan 0.000 0.000 224 I CA 0.240 61.552 61.300 0.020 0.000 0.000 224 I CB 0.600 nan 38.000 nan 0.000 0.000 224 I HN 3.144 nan 8.210 nan 0.000 0.000 225 R N -0.132 nan 120.500 nan 0.000 0.000 225 R HA 1.252 5.592 4.340 0.001 0.000 0.000 225 R C -0.177 nan 176.300 nan 0.000 0.000 225 R CA 1.205 57.311 56.100 0.010 0.000 0.000 225 R CB -0.745 nan 30.300 nan 0.000 0.000 225 R HN 3.121 nan 8.270 nan 0.000 0.000 226 E N -2.110 nan 120.200 nan 0.000 0.000 226 E HA 0.959 5.309 4.350 0.001 0.000 0.000 226 E C 0.100 nan 176.600 nan 0.000 0.000 226 E CA 0.457 56.859 56.400 0.004 0.000 0.000 226 E CB -0.112 nan 29.700 nan 0.000 0.000 226 E HN 2.789 nan 8.360 nan 0.000 0.000 227 T N -2.501 nan 114.554 nan 0.000 0.000 227 T HA 1.147 5.497 4.350 0.001 0.000 0.000 227 T C 0.456 nan 174.700 nan 0.000 0.000 227 T CA 1.029 63.130 62.100 0.002 0.000 0.000 227 T CB 0.243 nan 68.868 nan 0.000 0.000 227 T HN 2.525 nan 8.240 nan 0.000 0.000 228 T N -2.037 nan 114.554 nan 0.000 0.000 228 T HA 1.128 5.478 4.350 0.001 0.000 0.000 228 T C -0.244 nan 174.700 nan 0.000 0.000 228 T CA 1.291 63.390 62.100 -0.000 0.000 0.000 228 T CB -0.481 nan 68.868 nan 0.000 0.000 228 T HN 2.704 nan 8.240 nan 0.000 0.000 229 E N -2.204 nan 120.200 nan 0.000 0.000 229 E HA 1.090 5.440 4.350 0.001 0.000 0.000 229 E C -0.152 nan 176.600 nan 0.000 0.000 229 E CA 0.542 56.941 56.400 -0.002 0.000 0.000 229 E CB -0.196 nan 29.700 nan 0.000 0.000 229 E HN 2.897 nan 8.360 nan 0.000 0.000 230 T N -2.665 nan 114.554 nan 0.000 0.000 230 T HA 1.086 5.436 4.350 0.001 0.000 0.000 230 T C 0.090 nan 174.700 nan 0.000 0.000 230 T CA 1.213 63.311 62.100 -0.003 0.000 0.000 230 T CB -0.335 nan 68.868 nan 0.000 0.000 230 T HN 2.311 nan 8.240 nan 0.000 0.000 231 E N -1.930 nan 120.200 nan 0.000 0.000 231 E HA 1.122 5.473 4.350 0.001 0.000 0.000 231 E C -0.291 nan 176.600 nan 0.000 0.000 231 E CA 0.520 56.918 56.400 -0.002 0.000 0.000 231 E CB -0.317 nan 29.700 nan 0.000 0.000 231 E HN 2.757 nan 8.360 nan 0.000 0.000 236 G N -2.166 106.634 108.800 0.001 0.000 0.000 236 G HA2 0.860 4.820 3.960 0.001 0.000 0.000 236 G HA3 0.860 4.820 3.960 0.001 0.000 0.000 236 G C -1.033 nan 174.900 nan 0.000 0.000 236 G CA 0.604 45.707 45.100 0.005 0.000 0.000 236 G HN 3.111 nan 8.290 nan 0.000 0.000 237 Y N -3.086 nan 120.300 nan 0.000 0.000 237 Y HA 1.026 5.576 4.550 0.001 0.000 0.000 237 Y C 0.006 nan 175.900 nan 0.000 0.000 237 Y CA 0.320 58.422 58.100 0.004 0.000 0.000 237 Y CB 0.346 nan 38.460 nan 0.000 0.000 237 Y HN 2.684 nan 8.280 nan 0.000 0.000 238 K N -0.929 nan 120.400 nan 0.000 0.000 238 K HA 1.159 5.479 4.320 0.001 0.000 0.000 238 K C -0.625 nan 176.600 nan 0.000 0.000 238 K CA -0.010 56.281 56.287 0.007 0.000 0.000 238 K CB -0.073 nan 32.500 nan 0.000 0.000 238 K HN 2.941 nan 8.250 nan 0.000 0.000 239 F N -2.096 nan 119.950 nan 0.000 0.000 239 F HA 0.845 5.373 4.527 0.001 0.000 0.000 239 F C 0.442 nan 175.800 nan 0.000 0.000 239 F CA -0.120 57.886 58.000 0.009 0.000 0.000 239 F CB 0.212 nan 39.000 nan 0.000 0.000 239 F HN 2.140 nan 8.300 nan 0.000 0.000 240 G N -1.784 nan 108.800 nan 0.000 0.000 240 G HA2 0.905 4.865 3.960 0.001 0.000 0.000 240 G HA3 0.905 4.865 3.960 0.001 0.000 0.000 240 G C -1.080 nan 174.900 nan 0.000 0.000 240 G CA 1.284 46.382 45.100 -0.004 0.000 0.000 240 G HN 3.188 nan 8.290 nan 0.000 0.000 241 Q N -3.121 nan 119.800 nan 0.000 0.000 241 Q HA 1.062 5.402 4.340 0.001 0.000 0.000 241 Q C -0.379 nan 176.000 nan 0.000 0.000 241 Q CA 1.081 56.875 55.803 -0.015 0.000 0.000 241 Q CB -0.205 nan 28.738 nan 0.000 0.000 241 Q HN 2.876 nan 8.270 nan 0.000 0.000 242 E N -0.917 nan 120.200 nan 0.000 0.000 242 E HA 0.730 5.081 4.350 0.001 0.000 0.000 242 E C -1.240 nan 176.600 nan 0.000 0.000 242 E CA 0.200 56.586 56.400 -0.024 0.000 0.000 242 E CB 0.478 nan 29.700 nan 0.000 0.000 242 E HN 1.258 nan 8.360 nan 0.000 0.000 243 E N -1.017 119.159 120.200 -0.040 0.000 0.000 243 E HA 0.385 4.735 4.350 0.001 0.000 0.000 243 E C -1.085 175.473 176.600 -0.070 0.000 0.000 243 E CA -0.792 55.575 56.400 -0.054 0.000 0.000 243 E CB 1.682 31.354 29.700 -0.046 0.000 0.000 243 E HN 0.593 nan 8.360 nan 0.000 0.000 244 E N -0.252 119.880 120.200 -0.112 0.000 2.312 244 E HA 0.317 4.667 4.350 0.001 0.000 0.259 244 E C 0.092 176.625 176.600 -0.112 0.000 1.122 244 E CA 0.254 56.554 56.400 -0.166 0.000 0.922 244 E CB 1.206 30.682 29.700 -0.372 0.000 1.109 244 E HN 0.416 nan 8.360 nan 0.000 0.442 245 T N 0.893 115.412 114.554 -0.060 0.000 3.039 245 T HA -0.009 4.342 4.350 0.001 0.000 0.250 245 T C 1.141 175.889 174.700 0.081 0.000 1.052 245 T CA 0.991 63.109 62.100 0.031 0.000 1.125 245 T CB -0.223 68.698 68.868 0.088 0.000 0.908 245 T HN 0.584 nan 8.240 nan 0.000 0.473 246 Y N 2.021 122.327 120.300 0.010 0.000 2.343 246 Y HA 0.297 4.847 4.550 0.001 0.000 0.294 246 Y C 0.482 176.395 175.900 0.022 0.000 1.122 246 Y CA -0.262 57.845 58.100 0.012 0.000 1.173 246 Y CB -0.840 37.628 38.460 0.013 0.000 1.077 246 Y HN 0.232 nan 8.280 nan 0.000 0.542 247 N N 1.752 120.242 118.700 -0.349 0.000 2.422 247 N HA -0.247 4.493 4.740 0.001 0.000 0.289 247 N C 0.190 175.706 175.510 0.010 0.000 1.385 247 N CA 0.683 53.606 53.050 -0.211 0.000 0.639 247 N CB -1.275 37.161 38.487 -0.084 0.000 0.914 247 N HN 0.656 nan 8.380 nan 0.000 0.516 248 I N 0.904 121.485 120.570 0.019 0.000 3.016 248 I HA -0.492 3.679 4.170 0.001 0.000 0.191 248 I C 2.446 178.673 176.117 0.182 0.000 0.870 248 I CA 2.539 63.964 61.300 0.208 0.000 1.180 248 I CB -1.084 37.006 38.000 0.149 0.000 0.901 248 I HN 0.529 nan 8.210 nan 0.000 0.345 249 V N 0.826 120.811 119.914 0.118 0.000 2.408 249 V HA -0.486 3.635 4.120 0.001 0.000 0.236 249 V C 2.573 178.770 176.094 0.172 0.000 1.064 249 V CA 2.998 65.371 62.300 0.120 0.000 1.095 249 V CB -1.692 30.169 31.823 0.064 0.000 0.921 249 V HN 0.748 nan 8.190 nan 0.000 0.474 250 A N -0.558 122.349 122.820 0.145 0.000 1.908 250 A HA -0.112 4.208 4.320 0.001 0.000 0.218 250 A C 2.395 180.102 177.584 0.204 0.000 1.181 250 A CA 3.069 55.196 52.037 0.151 0.000 0.627 250 A CB -0.907 18.160 19.000 0.111 0.000 0.818 250 A HN 0.943 nan 8.150 nan 0.000 0.445 251 A N -1.072 121.880 122.820 0.220 0.000 1.851 251 A HA -0.284 4.036 4.320 0.001 0.000 0.216 251 A C 2.202 179.953 177.584 0.279 0.000 1.195 251 A CA 1.960 54.146 52.037 0.248 0.000 0.622 251 A CB -1.124 18.017 19.000 0.236 0.000 0.831 251 A HN 0.736 nan 8.150 nan 0.000 0.444 252 H N -0.054 119.115 119.070 0.165 0.000 2.387 252 H HA -0.119 4.437 4.556 0.001 0.000 0.299 252 H C 2.216 177.643 175.328 0.165 0.000 1.099 252 H CA 1.805 57.932 56.048 0.132 0.000 1.315 252 H CB -0.607 29.197 29.762 0.069 0.000 1.380 252 H HN 0.408 nan 8.280 nan 0.000 0.513 253 G N -1.178 107.799 108.800 0.294 0.000 2.535 253 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 253 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 253 G C 1.512 176.528 174.900 0.194 0.000 1.122 253 G CA 0.840 46.078 45.100 0.230 0.000 0.769 253 G HN 0.588 nan 8.290 nan 0.000 0.549 254 Y N -1.075 119.277 120.300 0.087 0.000 2.539 254 Y HA 0.337 4.888 4.550 0.001 0.000 0.284 254 Y C 2.080 178.007 175.900 0.045 0.000 1.134 254 Y CA 0.033 58.168 58.100 0.057 0.000 1.251 254 Y CB -0.037 38.458 38.460 0.059 0.000 1.260 254 Y HN 0.052 nan 8.280 nan 0.000 0.528 255 F N 1.125 120.969 119.950 -0.177 0.000 2.031 255 F HA -0.013 4.514 4.527 0.001 0.000 0.295 255 F C 2.434 178.019 175.800 -0.357 0.000 1.133 255 F CA 2.414 60.237 58.000 -0.294 0.000 1.188 255 F CB -0.977 37.938 39.000 -0.142 0.000 0.974 255 F HN 0.095 nan 8.300 nan 0.000 0.473 256 G N -0.285 108.533 108.800 0.030 0.000 2.574 256 G HA2 -0.440 3.521 3.960 0.001 0.000 0.220 256 G HA3 -0.440 3.521 3.960 0.001 0.000 0.220 256 G C 1.787 176.607 174.900 -0.134 0.000 1.173 256 G CA 2.151 47.200 45.100 -0.085 0.000 0.772 256 G HN 0.626 nan 8.290 nan 0.000 0.585 257 R N -0.231 120.178 120.500 -0.150 0.000 2.127 257 R HA 0.162 4.502 4.340 0.001 0.000 0.238 257 R C 2.469 178.614 176.300 -0.257 0.000 1.134 257 R CA 1.839 57.846 56.100 -0.155 0.000 0.975 257 R CB -0.966 29.271 30.300 -0.106 0.000 0.865 257 R HN 0.478 nan 8.270 nan 0.000 0.447 258 L N -0.044 120.908 121.223 -0.452 0.000 2.034 258 L HA 0.179 4.519 4.340 0.001 0.000 0.203 258 L C 2.405 179.057 176.870 -0.363 0.000 1.074 258 L CA 1.698 56.253 54.840 -0.475 0.000 0.748 258 L CB -0.099 41.521 42.059 -0.731 0.000 0.905 258 L HN 0.393 nan 8.230 nan 0.000 0.439 259 I N -1.690 118.618 120.570 -0.436 0.000 2.400 259 I HA 0.137 4.308 4.170 0.001 0.000 0.248 259 I C 1.019 177.034 176.117 -0.171 0.000 1.109 259 I CA 1.076 62.185 61.300 -0.319 0.000 1.425 259 I CB -0.192 37.556 38.000 -0.421 0.000 1.094 259 I HN 0.188 nan 8.210 nan 0.000 0.425 260 F N -0.729 119.144 119.950 -0.128 0.000 3.397 260 F HA 0.475 5.002 4.527 0.001 0.000 0.302 260 F C -0.123 175.672 175.800 -0.009 0.000 0.851 260 F CA -0.851 57.117 58.000 -0.055 0.000 0.820 260 F CB -0.186 38.794 39.000 -0.033 0.000 2.885 260 F HN -0.096 nan 8.300 nan 0.000 0.329 261 Q N 0.215 120.029 119.800 0.022 0.000 2.295 261 Q HA 0.698 5.038 4.340 0.001 0.000 0.259 261 Q C -0.462 175.587 176.000 0.081 0.000 0.976 261 Q CA 0.049 55.890 55.803 0.063 0.000 0.923 261 Q CB -0.226 28.550 28.738 0.063 0.000 1.185 261 Q HN 2.639 nan 8.270 nan 0.000 0.410 262 Y N -0.643 119.724 120.300 0.113 0.000 2.419 262 Y HA 0.881 5.431 4.550 0.001 0.000 0.328 262 Y C 0.326 176.308 175.900 0.137 0.000 1.162 262 Y CA -1.452 56.711 58.100 0.105 0.000 1.174 262 Y CB 1.334 39.815 38.460 0.035 0.000 1.228 262 Y HN 1.597 nan 8.280 nan 0.000 0.473 263 A N 0.877 123.735 122.820 0.063 0.000 2.589 263 A HA 1.010 5.330 4.320 0.001 0.000 0.296 263 A C -0.295 177.295 177.584 0.010 0.000 1.062 263 A CA 0.004 52.068 52.037 0.045 0.000 0.686 263 A CB 0.804 19.829 19.000 0.042 0.000 1.282 263 A HN 2.805 nan 8.150 nan 0.000 0.404 264 S N -1.054 114.651 115.700 0.009 0.000 2.615 264 S HA 0.750 5.221 4.470 0.001 0.000 0.268 264 S C 0.915 175.520 174.600 0.008 0.000 1.146 264 S CA -0.159 58.044 58.200 0.004 0.000 0.818 264 S CB -0.562 62.633 63.200 -0.008 0.000 1.111 264 S HN 2.233 nan 8.310 nan 0.000 0.465 265 F N -0.282 119.671 119.950 0.005 0.000 2.063 265 F HA 0.169 4.696 4.527 0.001 0.000 0.298 265 F C 1.430 177.235 175.800 0.009 0.000 1.105 265 F CA 2.916 60.917 58.000 0.001 0.000 1.215 265 F CB -1.218 37.774 39.000 -0.013 0.000 0.972 265 F HN 1.959 nan 8.300 nan 0.000 0.483 266 N N -0.207 118.505 118.700 0.020 0.000 2.969 266 N HA 0.400 5.141 4.740 0.001 0.000 0.230 266 N C 0.037 175.575 175.510 0.045 0.000 1.397 266 N CA 0.028 53.092 53.050 0.024 0.000 0.762 266 N CB -0.669 37.831 38.487 0.022 0.000 1.495 266 N HN 0.463 nan 8.380 nan 0.000 0.583 267 N N 0.248 118.973 118.700 0.040 0.000 0.948 267 N HA -0.335 4.405 4.740 0.001 0.000 0.152 267 N C 1.923 177.503 175.510 0.115 0.000 0.382 267 N CA 1.932 55.022 53.050 0.067 0.000 0.854 267 N CB -0.951 37.577 38.487 0.068 0.000 1.651 267 N HN 0.723 nan 8.380 nan 0.000 0.599 268 S N 0.730 116.528 115.700 0.164 0.000 2.425 268 S HA -0.278 4.192 4.470 0.001 0.000 0.256 268 S C 1.891 176.622 174.600 0.220 0.000 1.101 268 S CA 2.295 60.649 58.200 0.255 0.000 1.188 268 S CB -0.195 63.123 63.200 0.196 0.000 1.085 268 S HN 0.397 nan 8.310 nan 0.000 0.439 269 R N 0.148 120.719 120.500 0.117 0.000 2.152 269 R HA -0.057 4.284 4.340 0.001 0.000 0.232 269 R C 2.565 178.961 176.300 0.160 0.000 1.117 269 R CA 1.611 57.772 56.100 0.100 0.000 0.981 269 R CB -0.340 29.990 30.300 0.050 0.000 0.870 269 R HN 0.706 nan 8.270 nan 0.000 0.451 270 S N -0.261 115.528 115.700 0.149 0.000 2.497 270 S HA -0.003 4.467 4.470 0.001 0.000 0.218 270 S C 1.646 176.371 174.600 0.208 0.000 1.023 270 S CA -0.209 58.091 58.200 0.168 0.000 0.913 270 S CB 0.054 63.303 63.200 0.080 0.000 0.800 270 S HN 0.165 nan 8.310 nan 0.000 0.505 271 L N 1.112 122.428 121.223 0.156 0.000 2.610 271 L HA 0.334 4.674 4.340 0.001 0.000 0.232 271 L C 1.268 178.121 176.870 -0.028 0.000 1.149 271 L CA 1.434 56.311 54.840 0.061 0.000 0.872 271 L CB -0.559 41.518 42.059 0.030 0.000 0.992 271 L HN 0.279 nan 8.230 nan 0.000 0.447 272 H N -3.272 115.850 119.070 0.088 0.000 2.788 272 H HA 0.099 4.655 4.556 0.001 0.000 0.262 272 H C 1.451 176.861 175.328 0.137 0.000 0.968 272 H CA 0.835 56.899 56.048 0.027 0.000 1.218 272 H CB 0.047 29.802 29.762 -0.013 0.000 1.443 272 H HN 0.308 nan 8.280 nan 0.000 0.478 273 F N 0.073 120.147 119.950 0.206 0.000 2.146 273 F HA -0.178 4.350 4.527 0.001 0.000 0.298 273 F C 1.989 177.919 175.800 0.216 0.000 1.096 273 F CA 1.023 59.179 58.000 0.260 0.000 1.275 273 F CB -0.229 38.948 39.000 0.295 0.000 1.008 273 F HN 0.142 nan 8.300 nan 0.000 0.480 274 F N 0.957 121.153 119.950 0.409 0.000 2.161 274 F HA -0.232 4.295 4.527 0.000 0.000 0.300 274 F C 1.733 177.541 175.800 0.012 0.000 1.089 274 F CA 1.716 59.855 58.000 0.231 0.000 1.282 274 F CB -0.411 38.651 39.000 0.103 0.000 1.010 274 F HN -0.027 nan 8.300 nan 0.000 0.485 275 L N -0.344 120.902 121.223 0.038 0.000 2.044 275 L HA -0.114 4.226 4.340 0.001 0.000 0.205 275 L C 2.770 179.550 176.870 -0.151 0.000 1.075 275 L CA 1.049 55.814 54.840 -0.125 0.000 0.747 275 L CB -1.264 40.713 42.059 -0.137 0.000 0.903 275 L HN 0.160 nan 8.230 nan 0.000 0.435 276 A N -0.301 122.453 122.820 -0.110 0.000 2.131 276 A HA -0.051 4.270 4.320 0.001 0.000 0.220 276 A C 2.244 179.666 177.584 -0.271 0.000 1.158 276 A CA 1.816 53.774 52.037 -0.132 0.000 0.665 276 A CB -0.397 18.595 19.000 -0.014 0.000 0.795 276 A HN 0.464 nan 8.150 nan 0.000 0.460 277 A N -2.069 120.554 122.820 -0.328 0.000 1.988 277 A HA 0.178 4.498 4.320 0.001 0.000 0.201 277 A C 1.862 179.272 177.584 -0.289 0.000 1.410 277 A CA 0.564 52.403 52.037 -0.330 0.000 0.832 277 A CB -0.895 17.958 19.000 -0.246 0.000 0.981 277 A HN 0.679 nan 8.150 nan 0.000 0.492 278 W N 1.989 122.980 121.300 -0.516 0.000 2.283 278 W HA -0.217 4.444 4.660 0.001 0.000 0.335 278 W C -1.408 174.931 176.519 -0.300 0.000 1.313 278 W CA 3.170 60.202 57.345 -0.522 0.000 1.263 278 W CB -1.641 27.237 29.460 -0.969 0.000 1.141 278 W HN 0.217 nan 8.180 nan 0.000 0.468 279 P HA -0.152 nan 4.420 nan 0.000 0.215 279 P C 2.015 179.179 177.300 -0.226 0.000 1.157 279 P CA 2.183 65.254 63.100 -0.049 0.000 0.859 279 P CB -0.264 31.454 31.700 0.030 0.000 0.786 280 V N -0.134 119.582 119.914 -0.331 0.000 2.250 280 V HA -0.241 3.879 4.120 0.001 0.000 0.250 280 V C 2.412 178.145 176.094 -0.602 0.000 1.060 280 V CA 2.083 64.034 62.300 -0.583 0.000 1.030 280 V CB -1.360 29.999 31.823 -0.773 0.000 0.643 280 V HN -0.034 nan 8.190 nan 0.000 0.445 281 V N 0.604 120.311 119.914 -0.345 0.000 2.515 281 V HA -0.111 4.009 4.120 0.001 0.000 0.250 281 V C 2.564 178.677 176.094 0.032 0.000 1.058 281 V CA 1.845 64.153 62.300 0.014 0.000 1.064 281 V CB -1.273 30.581 31.823 0.051 0.000 0.675 281 V HN 0.623 nan 8.190 nan 0.000 0.461 282 G N -0.028 108.678 108.800 -0.158 0.000 2.421 282 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 282 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 282 G C 1.644 176.562 174.900 0.031 0.000 1.171 282 G CA 1.283 46.324 45.100 -0.099 0.000 0.775 282 G HN 0.387 nan 8.290 nan 0.000 0.543 283 V N -0.599 119.294 119.914 -0.035 0.000 2.323 283 V HA -0.085 4.035 4.120 0.001 0.000 0.244 283 V C 2.482 178.632 176.094 0.094 0.000 1.041 283 V CA 1.180 63.479 62.300 -0.002 0.000 1.025 283 V CB -0.573 31.200 31.823 -0.084 0.000 0.656 283 V HN 0.437 nan 8.190 nan 0.000 0.451 284 W N 0.501 121.740 121.300 -0.102 0.000 2.283 284 W HA -0.261 4.399 4.660 0.001 0.000 0.335 284 W C 2.507 178.953 176.519 -0.122 0.000 1.313 284 W CA 1.744 58.983 57.345 -0.177 0.000 1.263 284 W CB -1.577 27.672 29.460 -0.352 0.000 1.141 284 W HN 0.293 nan 8.180 nan 0.000 0.468 285 F N 0.065 120.160 119.950 0.241 0.000 2.154 285 F HA -0.275 4.252 4.527 0.001 0.000 0.301 285 F C 2.407 178.398 175.800 0.319 0.000 1.087 285 F CA 2.097 60.237 58.000 0.234 0.000 1.274 285 F CB -1.091 37.875 39.000 -0.057 0.000 1.009 285 F HN -0.238 nan 8.300 nan 0.000 0.485 286 T N -0.564 114.203 114.554 0.356 0.000 2.962 286 T HA -0.101 4.249 4.350 0.001 0.000 0.270 286 T C 2.159 176.979 174.700 0.200 0.000 1.088 286 T CA 0.931 63.181 62.100 0.250 0.000 1.127 286 T CB -0.396 68.555 68.868 0.138 0.000 0.883 286 T HN 0.329 nan 8.240 nan 0.000 0.493 287 A N 1.313 124.252 122.820 0.198 0.000 1.872 287 A HA 0.100 4.420 4.320 0.001 0.000 0.214 287 A C 2.225 179.906 177.584 0.162 0.000 1.187 287 A CA 0.912 53.049 52.037 0.166 0.000 0.614 287 A CB -0.684 18.424 19.000 0.181 0.000 0.826 287 A HN 0.428 nan 8.150 nan 0.000 0.442 288 L N -0.687 120.650 121.223 0.189 0.000 1.948 288 L HA -0.121 4.220 4.340 0.001 0.000 0.212 288 L C 2.911 179.825 176.870 0.074 0.000 1.074 288 L CA 1.272 56.202 54.840 0.149 0.000 0.753 288 L CB -1.388 40.824 42.059 0.254 0.000 0.888 288 L HN 0.480 nan 8.230 nan 0.000 0.432 289 G N 0.618 109.499 108.800 0.135 0.000 2.888 289 G HA2 -0.367 3.594 3.960 0.001 0.000 0.231 289 G HA3 -0.367 3.594 3.960 0.001 0.000 0.231 289 G C 1.467 176.292 174.900 -0.125 0.000 1.113 289 G CA 1.886 46.910 45.100 -0.126 0.000 0.745 289 G HN 0.365 nan 8.290 nan 0.000 0.647 290 I N 0.255 120.848 120.570 0.038 0.000 2.206 290 I HA -0.115 4.055 4.170 0.001 0.000 0.239 290 I C 2.972 179.200 176.117 0.184 0.000 1.078 290 I CA 1.253 62.625 61.300 0.120 0.000 1.367 290 I CB -0.514 37.529 38.000 0.071 0.000 1.078 290 I HN 0.135 nan 8.210 nan 0.000 0.413 291 S N 0.427 116.231 115.700 0.173 0.000 2.444 291 S HA -0.209 4.261 4.470 0.001 0.000 0.244 291 S C 1.872 176.619 174.600 0.244 0.000 1.025 291 S CA 1.916 60.253 58.200 0.230 0.000 0.995 291 S CB -0.511 62.808 63.200 0.198 0.000 0.781 291 S HN 0.498 nan 8.310 nan 0.000 0.496 292 T N 2.298 116.906 114.554 0.090 0.000 2.684 292 T HA 0.104 4.454 4.350 0.001 0.000 0.253 292 T C 1.779 176.511 174.700 0.054 0.000 1.057 292 T CA 0.999 63.110 62.100 0.017 0.000 1.162 292 T CB -0.334 68.425 68.868 -0.182 0.000 0.868 292 T HN 0.334 nan 8.240 nan 0.000 0.409 293 M N 1.155 120.743 119.600 -0.019 0.000 2.530 293 M HA -0.054 4.426 4.480 0.001 0.000 0.261 293 M C 2.438 178.691 176.300 -0.078 0.000 1.067 293 M CA 0.818 55.996 55.300 -0.203 0.000 1.071 293 M CB -0.461 31.898 32.600 -0.402 0.000 1.405 293 M HN 0.303 nan 8.290 nan 0.000 0.478 294 A N 0.381 123.282 122.820 0.134 0.000 1.832 294 A HA -0.065 4.255 4.320 0.001 0.000 0.214 294 A C 1.571 179.066 177.584 -0.148 0.000 1.204 294 A CA 1.075 53.096 52.037 -0.026 0.000 0.606 294 A CB -0.993 17.999 19.000 -0.013 0.000 0.849 294 A HN 0.423 nan 8.150 nan 0.000 0.445 295 F N 0.346 120.264 119.950 -0.052 0.000 2.724 295 F HA 0.002 4.529 4.527 0.001 0.000 0.297 295 F C 0.664 176.433 175.800 -0.052 0.000 1.200 295 F CA 0.998 58.963 58.000 -0.057 0.000 1.468 295 F CB -1.169 37.804 39.000 -0.044 0.000 1.116 295 F HN 0.397 nan 8.300 nan 0.000 0.599 296 N N 1.004 119.753 118.700 0.083 0.000 2.422 296 N HA -0.195 4.545 4.740 0.001 0.000 0.289 296 N C -1.382 174.153 175.510 0.041 0.000 1.385 296 N CA -0.077 53.010 53.050 0.062 0.000 0.639 296 N CB -0.502 38.022 38.487 0.062 0.000 0.914 296 N HN 0.166 nan 8.380 nan 0.000 0.516 297 L N 2.927 124.149 121.223 -0.002 0.000 2.666 297 L HA 0.447 4.787 4.340 0.001 0.000 0.258 297 L C -1.034 175.807 176.870 -0.048 0.000 0.991 297 L CA -0.597 54.224 54.840 -0.032 0.000 0.916 297 L CB 1.017 43.049 42.059 -0.046 0.000 1.199 297 L HN 0.388 nan 8.230 nan 0.000 0.439 298 N N 1.492 120.177 118.700 -0.024 0.000 2.347 298 N HA 0.602 5.342 4.740 0.001 0.000 0.253 298 N C 0.691 176.142 175.510 -0.098 0.000 1.274 298 N CA 0.216 53.275 53.050 0.015 0.000 0.941 298 N CB 0.411 38.974 38.487 0.125 0.000 1.200 298 N HN 0.630 nan 8.380 nan 0.000 0.514 299 G N -0.758 108.029 108.800 -0.021 0.000 2.529 299 G HA2 0.230 4.191 3.960 0.001 0.000 0.277 299 G HA3 0.230 4.191 3.960 0.001 0.000 0.277 299 G C -0.397 174.269 174.900 -0.391 0.000 1.383 299 G CA -0.427 44.563 45.100 -0.183 0.000 1.050 299 G HN 0.347 nan 8.290 nan 0.000 0.526 300 F N -0.256 119.534 119.950 -0.268 0.000 2.444 300 F HA 0.238 4.765 4.527 0.001 0.000 0.331 300 F C 0.937 176.408 175.800 -0.549 0.000 1.167 300 F CA 0.134 57.832 58.000 -0.503 0.000 1.262 300 F CB 0.802 39.289 39.000 -0.854 0.000 1.196 300 F HN 0.296 nan 8.300 nan 0.000 0.583 301 N N 2.340 120.793 118.700 -0.411 0.000 2.648 301 N HA 0.170 4.910 4.740 0.001 0.000 0.261 301 N C -1.182 174.259 175.510 -0.116 0.000 1.138 301 N CA -0.358 52.551 53.050 -0.235 0.000 0.804 301 N CB -0.030 38.404 38.487 -0.089 0.000 1.237 301 N HN 0.500 nan 8.380 nan 0.000 0.532 302 F N 1.440 121.454 119.950 0.107 0.000 2.916 302 F HA 0.292 4.819 4.527 0.001 0.000 0.294 302 F C 1.599 177.429 175.800 0.049 0.000 1.189 302 F CA -0.766 57.278 58.000 0.072 0.000 1.369 302 F CB 0.239 39.274 39.000 0.058 0.000 0.961 302 F HN 0.280 nan 8.300 nan 0.000 0.508 303 N N 0.335 119.141 118.700 0.177 0.000 2.149 303 N HA -0.171 4.569 4.740 0.001 0.000 0.188 303 N C 0.773 176.335 175.510 0.086 0.000 1.019 303 N CA 1.260 54.374 53.050 0.107 0.000 0.857 303 N CB -0.264 38.260 38.487 0.062 0.000 0.997 303 N HN 0.556 nan 8.380 nan 0.000 0.426 304 H N -1.190 117.933 119.070 0.088 0.000 2.906 304 H HA 0.599 5.156 4.556 0.001 0.000 0.324 304 H C -0.730 174.623 175.328 0.043 0.000 0.973 304 H CA -0.819 55.260 56.048 0.053 0.000 1.321 304 H CB 0.978 30.763 29.762 0.038 0.000 1.535 304 H HN -0.011 nan 8.280 nan 0.000 0.518 305 S N 1.599 117.313 115.700 0.024 0.000 2.537 305 S HA 0.781 5.251 4.470 0.001 0.000 0.301 305 S C 0.135 174.734 174.600 -0.001 0.000 1.092 305 S CA 0.236 58.439 58.200 0.004 0.000 1.048 305 S CB 0.789 63.984 63.200 -0.009 0.000 1.053 305 S HN 1.631 nan 8.310 nan 0.000 0.501 306 V N 0.046 119.957 119.914 -0.005 0.000 3.102 306 V HA 0.847 4.967 4.120 0.001 0.000 0.312 306 V C 0.747 176.834 176.094 -0.011 0.000 1.135 306 V CA -0.301 61.995 62.300 -0.007 0.000 1.022 306 V CB 1.029 32.851 31.823 -0.003 0.000 1.056 306 V HN 1.003 nan 8.190 nan 0.000 0.436 307 I N -0.442 120.121 120.570 -0.012 0.000 3.749 307 I HA 0.196 4.366 4.170 0.001 0.000 0.314 307 I C 1.381 177.492 176.117 -0.011 0.000 1.267 307 I CA 0.951 62.243 61.300 -0.014 0.000 1.169 307 I CB -1.992 35.999 38.000 -0.015 0.000 1.009 307 I HN 0.971 nan 8.210 nan 0.000 0.444 308 D N 0.781 121.175 120.400 -0.009 0.000 6.154 308 D HA -0.320 4.321 4.640 0.001 0.000 0.165 308 D C 1.902 178.198 176.300 -0.007 0.000 2.074 308 D CA 1.473 55.469 54.000 -0.007 0.000 0.776 308 D CB -0.194 40.603 40.800 -0.006 0.000 0.684 308 D HN 0.782 nan 8.370 nan 0.000 0.622 309 A N -0.849 121.967 122.820 -0.008 0.000 2.067 309 A HA -0.047 4.273 4.320 0.001 0.000 0.217 309 A C 2.084 179.664 177.584 -0.007 0.000 1.156 309 A CA 1.703 53.736 52.037 -0.007 0.000 0.683 309 A CB 0.208 19.203 19.000 -0.008 0.000 0.808 309 A HN 0.285 nan 8.150 nan 0.000 0.455 310 K N -4.141 116.254 120.400 -0.007 0.000 2.735 310 K HA 0.360 4.681 4.320 0.001 0.000 0.197 310 K C 0.979 177.576 176.600 -0.006 0.000 1.468 310 K CA 0.994 57.277 56.287 -0.007 0.000 1.109 310 K CB 0.262 32.758 32.500 -0.008 0.000 1.732 310 K HN 0.584 nan 8.250 nan 0.000 0.541 311 G N 0.843 109.638 108.800 -0.007 0.000 2.367 311 G HA2 -0.155 3.805 3.960 0.001 0.000 0.181 311 G HA3 -0.155 3.805 3.960 0.001 0.000 0.181 311 G C -0.659 174.237 174.900 -0.007 0.000 1.000 311 G CA -0.249 44.848 45.100 -0.006 0.000 0.693 311 G HN 0.212 nan 8.290 nan 0.000 0.480 312 N N 0.677 119.372 118.700 -0.009 0.000 2.345 312 N HA 0.243 4.984 4.740 0.001 0.000 0.243 312 N C 0.308 175.810 175.510 -0.012 0.000 1.246 312 N CA 0.629 53.672 53.050 -0.011 0.000 0.863 312 N CB 1.418 39.897 38.487 -0.013 0.000 1.096 312 N HN 0.179 nan 8.380 nan 0.000 0.446 313 V N 3.450 123.357 119.914 -0.013 0.000 2.481 313 V HA 0.277 4.397 4.120 0.001 0.000 0.286 313 V C 0.544 176.624 176.094 -0.022 0.000 1.042 313 V CA -0.777 61.515 62.300 -0.014 0.000 0.928 313 V CB 1.406 33.224 31.823 -0.008 0.000 0.986 313 V HN 0.408 nan 8.190 nan 0.000 0.462 314 I N 4.420 124.974 120.570 -0.026 0.000 2.396 314 I HA 0.302 4.472 4.170 0.001 0.000 0.292 314 I C 1.116 177.207 176.117 -0.045 0.000 0.999 314 I CA -0.150 61.127 61.300 -0.039 0.000 1.310 314 I CB 0.833 38.811 38.000 -0.037 0.000 1.404 314 I HN 0.648 nan 8.210 nan 0.000 0.496 315 N N 3.723 122.382 118.700 -0.068 0.000 2.038 315 N HA 0.066 4.806 4.740 0.001 0.000 0.189 315 N C -0.208 175.257 175.510 -0.075 0.000 1.151 315 N CA 0.918 53.921 53.050 -0.078 0.000 0.964 315 N CB 0.072 38.487 38.487 -0.120 0.000 1.031 315 N HN 0.668 nan 8.380 nan 0.000 0.423 316 T N -1.972 112.498 114.554 -0.139 0.000 2.926 316 T HA -0.064 4.286 4.350 0.001 0.000 0.405 316 T C -0.139 174.516 174.700 -0.075 0.000 1.531 316 T CA -0.500 61.539 62.100 -0.102 0.000 0.953 316 T CB -1.081 67.793 68.868 0.010 0.000 1.723 316 T HN 0.516 nan 8.240 nan 0.000 0.459 317 W N 1.564 122.884 121.300 0.033 0.000 2.361 317 W HA -0.049 4.612 4.660 0.001 0.000 0.270 317 W C 2.237 178.789 176.519 0.054 0.000 1.210 317 W CA 1.037 58.405 57.345 0.038 0.000 1.174 317 W CB -0.055 29.426 29.460 0.035 0.000 1.131 317 W HN 0.870 nan 8.180 nan 0.000 0.575 318 A N -0.867 122.110 122.820 0.262 0.000 2.178 318 A HA -0.051 4.269 4.320 0.001 0.000 0.211 318 A C 1.482 179.153 177.584 0.146 0.000 1.157 318 A CA 1.135 53.305 52.037 0.220 0.000 0.780 318 A CB -0.264 18.893 19.000 0.262 0.000 0.828 318 A HN 0.069 nan 8.150 nan 0.000 0.476 319 D N 0.325 120.785 120.400 0.100 0.000 2.120 319 D HA -0.038 4.603 4.640 0.001 0.000 0.202 319 D C 1.828 178.161 176.300 0.054 0.000 0.972 319 D CA 0.858 54.890 54.000 0.053 0.000 0.837 319 D CB -0.204 40.600 40.800 0.006 0.000 0.989 319 D HN 0.467 nan 8.370 nan 0.000 0.469 320 I N 0.997 121.607 120.570 0.068 0.000 2.127 320 I HA -0.263 3.907 4.170 0.001 0.000 0.241 320 I C 2.339 178.518 176.117 0.103 0.000 1.075 320 I CA 0.837 62.189 61.300 0.088 0.000 1.334 320 I CB -0.291 37.802 38.000 0.155 0.000 1.040 320 I HN -0.029 nan 8.210 nan 0.000 0.405 321 I N 0.698 121.350 120.570 0.137 0.000 2.290 321 I HA -0.425 3.746 4.170 0.001 0.000 0.253 321 I C 2.329 178.483 176.117 0.062 0.000 1.112 321 I CA 1.866 63.228 61.300 0.103 0.000 1.377 321 I CB -0.711 37.354 38.000 0.108 0.000 1.060 321 I HN 0.448 nan 8.210 nan 0.000 0.428 322 N N 0.397 119.130 118.700 0.054 0.000 2.148 322 N HA -0.201 4.539 4.740 0.001 0.000 0.186 322 N C 2.069 177.592 175.510 0.022 0.000 1.031 322 N CA 0.642 53.709 53.050 0.029 0.000 0.848 322 N CB 0.088 38.590 38.487 0.026 0.000 1.005 322 N HN 0.038 nan 8.380 nan 0.000 0.427 323 R N 1.234 121.749 120.500 0.027 0.000 2.136 323 R HA -0.159 4.181 4.340 0.001 0.000 0.242 323 R C 2.032 178.345 176.300 0.022 0.000 1.131 323 R CA 2.083 58.196 56.100 0.020 0.000 0.937 323 R CB -1.074 29.239 30.300 0.022 0.000 0.863 323 R HN 0.375 nan 8.270 nan 0.000 0.435 324 A N 0.384 123.223 122.820 0.032 0.000 1.883 324 A HA -0.190 4.130 4.320 0.001 0.000 0.217 324 A C 1.915 179.509 177.584 0.016 0.000 1.186 324 A CA 1.903 53.957 52.037 0.028 0.000 0.624 324 A CB -0.722 18.302 19.000 0.039 0.000 0.822 324 A HN 0.471 nan 8.150 nan 0.000 0.444 325 N N 0.085 118.791 118.700 0.010 0.000 2.205 325 N HA -0.118 4.622 4.740 0.001 0.000 0.186 325 N C 1.642 177.148 175.510 -0.007 0.000 1.015 325 N CA 1.273 54.318 53.050 -0.008 0.000 0.862 325 N CB -0.488 37.986 38.487 -0.021 0.000 0.986 325 N HN 0.546 nan 8.380 nan 0.000 0.429 326 L N 0.173 121.397 121.223 0.001 0.000 1.961 326 L HA -0.074 4.266 4.340 0.001 0.000 0.210 326 L C 2.342 179.219 176.870 0.011 0.000 1.072 326 L CA 1.462 56.303 54.840 0.003 0.000 0.749 326 L CB -1.035 41.025 42.059 0.001 0.000 0.889 326 L HN 0.175 nan 8.230 nan 0.000 0.432 327 G N -1.216 107.591 108.800 0.011 0.000 2.615 327 G HA2 -0.230 3.730 3.960 0.001 0.000 0.213 327 G HA3 -0.230 3.730 3.960 0.001 0.000 0.213 327 G C 1.442 176.355 174.900 0.022 0.000 1.135 327 G CA 0.439 45.547 45.100 0.013 0.000 0.772 327 G HN 0.265 nan 8.290 nan 0.000 0.542 328 M N -1.073 118.542 119.600 0.025 0.000 2.657 328 M HA 0.209 4.689 4.480 0.001 0.000 0.262 328 M C 2.296 178.649 176.300 0.088 0.000 1.213 328 M CA 0.560 55.879 55.300 0.032 0.000 1.182 328 M CB 0.311 32.911 32.600 0.000 0.000 1.303 328 M HN 0.335 nan 8.290 nan 0.000 0.501 329 E N -0.074 120.177 120.200 0.085 0.000 2.076 329 E HA -0.124 4.227 4.350 0.001 0.000 0.190 329 E C 1.607 178.285 176.600 0.130 0.000 0.979 329 E CA 1.160 57.667 56.400 0.178 0.000 0.807 329 E CB 0.167 29.907 29.700 0.066 0.000 0.761 329 E HN 0.280 nan 8.360 nan 0.000 0.454 330 V N 1.049 120.985 119.914 0.037 0.000 2.546 330 V HA -0.274 3.846 4.120 0.001 0.000 0.254 330 V C 2.160 178.229 176.094 -0.042 0.000 1.076 330 V CA 1.795 64.085 62.300 -0.016 0.000 1.087 330 V CB -0.381 31.435 31.823 -0.011 0.000 0.674 330 V HN 0.342 nan 8.190 nan 0.000 0.470 331 M N -2.321 117.278 119.600 -0.002 0.000 2.961 331 M HA 0.200 4.680 4.480 0.001 0.000 0.224 331 M C 1.550 177.834 176.300 -0.026 0.000 1.418 331 M CA 0.905 56.194 55.300 -0.019 0.000 1.341 331 M CB -0.438 32.171 32.600 0.014 0.000 1.087 331 M HN 0.558 nan 8.290 nan 0.000 0.554 332 H N 1.069 120.124 119.070 -0.025 0.000 1.452 332 H HA -0.255 4.301 4.556 0.001 0.000 0.090 332 H C -0.711 174.602 175.328 -0.025 0.000 2.208 332 H CA 1.404 57.437 56.048 -0.024 0.000 1.901 332 H CB -1.441 28.304 29.762 -0.030 0.000 2.257 332 H HN 0.378 nan 8.280 nan 0.000 0.961 333 E N 1.741 122.033 120.200 0.153 0.000 2.414 333 E HA 0.203 4.553 4.350 0.001 0.000 0.263 333 E C 0.363 176.889 176.600 -0.123 0.000 1.000 333 E CA 0.151 56.559 56.400 0.013 0.000 0.914 333 E CB 0.599 30.350 29.700 0.086 0.000 0.948 333 E HN 0.316 nan 8.360 nan 0.000 0.444 334 R N 1.226 121.681 120.500 -0.075 0.000 0.000 334 R HA 0.781 5.121 4.340 0.001 0.000 0.000 334 R C 0.106 176.368 176.300 -0.064 0.000 0.000 334 R CA -0.143 55.908 56.100 -0.082 0.000 0.000 334 R CB 1.179 31.442 30.300 -0.061 0.000 0.000 334 R HN 0.688 nan 8.270 nan 0.000 0.000 335 N N -1.083 nan 118.700 nan 0.000 0.000 335 N HA 0.635 5.376 4.740 0.001 0.000 0.000 335 N C -1.788 nan 175.510 nan 0.000 0.000 335 N CA -0.302 52.717 53.050 -0.052 0.000 0.000 335 N CB 1.186 nan 38.487 nan 0.000 0.000 335 N HN 0.797 nan 8.380 nan 0.000 0.000 336 A N -2.900 nan 122.820 nan 0.000 0.000 336 A HA 1.201 5.521 4.320 0.001 0.000 0.000 336 A C -0.231 nan 177.584 nan 0.000 0.000 336 A CA 1.450 53.441 52.037 -0.077 0.000 0.000 336 A CB -0.600 nan 19.000 nan 0.000 0.000 336 A HN 3.029 nan 8.150 nan 0.000 0.000 337 H N -2.528 nan 119.070 nan 0.000 0.000 337 H HA 1.063 5.619 4.556 0.001 0.000 0.000 337 H C -0.522 nan 175.328 nan 0.000 0.000 337 H CA 0.822 56.847 56.048 -0.039 0.000 0.000 337 H CB -0.473 nan 29.762 nan 0.000 0.000 337 H HN 2.857 nan 8.280 nan 0.000 0.000 338 N N -2.237 nan 118.700 nan 0.000 0.000 338 N HA 0.964 5.704 4.740 0.001 0.000 0.000 338 N C -0.170 nan 175.510 nan 0.000 0.000 338 N CA 0.626 53.658 53.050 -0.030 0.000 0.000 338 N CB 0.146 nan 38.487 nan 0.000 0.000 338 N HN 2.583 nan 8.380 nan 0.000 0.000 339 F N -2.298 nan 119.950 nan 0.000 0.000 339 F HA 1.036 5.564 4.527 0.001 0.000 0.000 339 F C -1.026 nan 175.800 nan 0.000 0.000 339 F CA -0.030 57.953 58.000 -0.029 0.000 0.000 339 F CB -0.305 nan 39.000 nan 0.000 0.000 339 F HN 2.391 nan 8.300 nan 0.000 0.000 340 P HA 1.197 5.617 4.420 0.001 0.000 0.000 340 P C -1.600 nan 177.300 nan 0.000 0.000 340 P CA 0.355 63.432 63.100 -0.038 0.000 0.000 340 P CB 0.282 nan 31.700 nan 0.000 0.000 341 L N 0.000 nan 121.223 nan 0.000 2.949 341 L HA 0.000 4.340 4.340 0.001 0.000 0.249 341 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 341 L CB 0.000 nan 42.059 nan 0.000 0.961 341 L HN 0.000 nan 8.230 nan 0.000 0.502