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 1f8r_1_D DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.204 176.300 -0.160 0.000 0.893 4 R CA 0.000 56.106 56.100 0.010 0.000 0.921 4 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 5 N N 3.601 121.875 118.700 -0.709 0.000 2.452 5 N HA 0.153 4.892 4.740 -0.001 0.000 0.266 5 N C -1.126 174.196 175.510 -0.314 0.000 1.175 5 N CA -1.675 50.837 53.050 -0.898 0.000 0.945 5 N CB 1.665 39.389 38.487 -1.272 0.000 1.063 5 N HN 0.485 nan 8.380 nan 0.000 0.472 6 P HA -0.094 nan 4.420 nan 0.000 0.225 6 P C 0.769 178.012 177.300 -0.095 0.000 1.148 6 P CA 1.022 64.073 63.100 -0.082 0.000 0.779 6 P CB 0.416 32.101 31.700 -0.025 0.000 0.780 7 L N -1.547 119.617 121.223 -0.099 0.000 2.640 7 L HA 0.259 4.598 4.340 -0.001 0.000 0.230 7 L C 2.498 179.282 176.870 -0.143 0.000 1.123 7 L CA 0.188 54.962 54.840 -0.110 0.000 0.900 7 L CB -0.634 41.432 42.059 0.011 0.000 1.146 7 L HN -0.142 nan 8.230 nan 0.000 0.484 8 A N 0.937 123.684 122.820 -0.122 0.000 1.915 8 A HA -0.304 4.016 4.320 -0.001 0.000 0.220 8 A C 2.131 179.638 177.584 -0.128 0.000 1.198 8 A CA 2.226 54.202 52.037 -0.102 0.000 0.647 8 A CB -0.434 18.467 19.000 -0.164 0.000 0.825 8 A HN 0.486 nan 8.150 nan 0.000 0.456 9 E N -1.156 118.949 120.200 -0.159 0.000 2.130 9 E HA -0.233 4.117 4.350 -0.001 0.000 0.196 9 E C 1.939 178.403 176.600 -0.226 0.000 0.998 9 E CA 1.467 57.772 56.400 -0.158 0.000 0.806 9 E CB -0.398 29.223 29.700 -0.133 0.000 0.738 9 E HN 0.747 nan 8.360 nan 0.000 0.459 10 c N -0.098 118.263 118.600 -0.399 0.000 2.456 10 c HA -0.036 4.534 4.570 -0.001 0.000 0.279 10 c C 1.064 174.737 174.090 -0.696 0.000 1.427 10 c CA -0.036 55.933 56.329 -0.600 0.000 1.778 10 c CB -0.910 41.084 42.510 -0.859 0.000 1.842 10 c HN 0.226 nan 8.230 nan 0.000 0.531 11 F N 0.921 120.793 119.950 -0.130 0.000 2.923 11 F HA 0.300 4.827 4.527 -0.001 0.000 0.314 11 F C 0.687 176.397 175.800 -0.151 0.000 1.196 11 F CA -0.367 57.547 58.000 -0.144 0.000 1.320 11 F CB -0.624 38.283 39.000 -0.155 0.000 0.953 11 F HN 0.266 nan 8.300 nan 0.000 0.505 12 Q N 0.568 120.346 119.800 -0.036 0.000 2.230 12 Q HA 0.264 4.604 4.340 -0.001 0.000 0.253 12 Q C 0.021 175.991 176.000 -0.050 0.000 0.919 12 Q CA -0.837 54.918 55.803 -0.080 0.000 0.908 12 Q CB 1.736 30.427 28.738 -0.079 0.000 1.245 12 Q HN 0.140 nan 8.270 nan 0.000 0.437 13 E N 1.918 122.064 120.200 -0.089 0.000 2.360 13 E HA -0.000 4.349 4.350 -0.001 0.000 0.269 13 E C -0.384 176.301 176.600 0.142 0.000 1.022 13 E CA -0.130 56.294 56.400 0.039 0.000 0.887 13 E CB 0.507 30.279 29.700 0.120 0.000 0.990 13 E HN 0.432 nan 8.360 nan 0.000 0.426 14 N N 2.408 121.200 118.700 0.153 0.000 2.458 14 N HA -0.099 4.640 4.740 -0.001 0.000 0.258 14 N C -0.557 175.121 175.510 0.280 0.000 1.219 14 N CA 0.256 53.410 53.050 0.173 0.000 0.902 14 N CB 0.340 38.921 38.487 0.156 0.000 1.076 14 N HN 0.269 nan 8.380 nan 0.000 0.455 15 D N 1.434 121.948 120.400 0.190 0.000 2.792 15 D HA -0.279 4.361 4.640 -0.001 0.000 0.231 15 D C 0.307 176.743 176.300 0.227 0.000 1.160 15 D CA 0.514 54.588 54.000 0.123 0.000 0.697 15 D CB -1.390 39.401 40.800 -0.014 0.000 1.070 15 D HN 0.590 nan 8.370 nan 0.000 0.426 16 Y N 0.525 120.913 120.300 0.146 0.000 2.114 16 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 16 Y C 2.352 178.309 175.900 0.095 0.000 1.165 16 Y CA 2.646 60.841 58.100 0.158 0.000 1.148 16 Y CB -0.078 38.426 38.460 0.074 0.000 0.972 16 Y HN 0.273 nan 8.280 nan 0.000 0.504 17 E N -0.106 120.154 120.200 0.100 0.000 2.058 17 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 17 E C 2.027 178.560 176.600 -0.112 0.000 0.997 17 E CA 1.902 58.291 56.400 -0.019 0.000 0.801 17 E CB -0.161 29.543 29.700 0.006 0.000 0.746 17 E HN 0.645 nan 8.360 nan 0.000 0.450 18 E N -0.666 119.435 120.200 -0.165 0.000 2.077 18 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 18 E C 1.862 178.260 176.600 -0.338 0.000 0.989 18 E CA 1.237 57.462 56.400 -0.293 0.000 0.800 18 E CB -0.165 29.269 29.700 -0.443 0.000 0.746 18 E HN 0.313 nan 8.360 nan 0.000 0.452 19 F N 0.263 120.141 119.950 -0.119 0.000 2.325 19 F HA -0.077 4.449 4.527 -0.001 0.000 0.299 19 F C 2.059 177.729 175.800 -0.217 0.000 1.090 19 F CA 0.408 58.323 58.000 -0.142 0.000 1.392 19 F CB -0.311 38.610 39.000 -0.131 0.000 1.053 19 F HN 0.069 nan 8.300 nan 0.000 0.521 20 L N 0.036 121.154 121.223 -0.175 0.000 2.141 20 L HA -0.087 4.252 4.340 -0.001 0.000 0.209 20 L C 2.224 178.999 176.870 -0.159 0.000 1.094 20 L CA 1.768 56.463 54.840 -0.241 0.000 0.763 20 L CB -0.821 41.053 42.059 -0.308 0.000 0.908 20 L HN -0.064 nan 8.230 nan 0.000 0.437 21 E N 0.093 120.214 120.200 -0.131 0.000 2.077 21 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 21 E C 2.285 178.832 176.600 -0.088 0.000 0.989 21 E CA 1.579 57.913 56.400 -0.109 0.000 0.800 21 E CB -0.237 29.398 29.700 -0.108 0.000 0.746 21 E HN 0.606 nan 8.360 nan 0.000 0.452 22 I N 0.544 121.080 120.570 -0.057 0.000 2.286 22 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 22 I C 2.369 178.490 176.117 0.007 0.000 1.115 22 I CA 1.008 62.311 61.300 0.005 0.000 1.392 22 I CB -0.293 37.762 38.000 0.091 0.000 1.065 22 I HN 0.010 nan 8.210 nan 0.000 0.418 23 A N 0.811 123.596 122.820 -0.058 0.000 1.933 23 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 23 A C 2.396 179.752 177.584 -0.381 0.000 1.175 23 A CA 1.442 53.313 52.037 -0.276 0.000 0.628 23 A CB -0.457 18.308 19.000 -0.392 0.000 0.814 23 A HN 0.318 nan 8.150 nan 0.000 0.444 24 R N -0.659 119.695 120.500 -0.243 0.000 2.057 24 R HA 0.002 4.342 4.340 -0.001 0.000 0.229 24 R C 0.684 176.909 176.300 -0.126 0.000 1.136 24 R CA 1.415 57.393 56.100 -0.203 0.000 0.952 24 R CB -0.152 30.056 30.300 -0.153 0.000 0.848 24 R HN 0.474 nan 8.270 nan 0.000 0.430 25 N N -0.438 118.212 118.700 -0.082 0.000 2.187 25 N HA 0.139 4.878 4.740 -0.001 0.000 0.212 25 N C 0.238 175.735 175.510 -0.021 0.000 1.152 25 N CA 0.724 53.745 53.050 -0.049 0.000 0.872 25 N CB 1.646 40.103 38.487 -0.051 0.000 1.025 25 N HN 0.304 nan 8.380 nan 0.000 0.514 26 G N 1.177 109.980 108.800 0.005 0.000 2.828 26 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.463 26 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.463 26 G C -0.658 174.254 174.900 0.021 0.000 1.394 26 G CA -0.720 44.403 45.100 0.039 0.000 0.862 26 G HN 0.125 nan 8.290 nan 0.000 0.540 27 L N 0.767 122.009 121.223 0.033 0.000 2.475 27 L HA 0.641 4.981 4.340 -0.001 0.000 0.253 27 L C 1.653 178.524 176.870 0.002 0.000 1.198 27 L CA 0.859 55.712 54.840 0.021 0.000 0.814 27 L CB 0.093 42.176 42.059 0.041 0.000 1.134 27 L HN 1.348 nan 8.230 nan 0.000 0.478 28 K N 1.960 122.357 120.400 -0.005 0.000 2.416 28 K HA 0.614 4.933 4.320 -0.001 0.000 0.283 28 K C 0.231 176.825 176.600 -0.010 0.000 1.037 28 K CA 0.114 56.393 56.287 -0.013 0.000 0.995 28 K CB -0.744 31.746 32.500 -0.016 0.000 0.938 28 K HN 0.877 nan 8.250 nan 0.000 0.475 29 A N 2.544 125.349 122.820 -0.026 0.000 2.587 29 A HA 0.335 4.654 4.320 -0.001 0.000 0.235 29 A C 0.848 178.400 177.584 -0.053 0.000 1.044 29 A CA 0.901 52.911 52.037 -0.045 0.000 0.754 29 A CB -0.171 18.799 19.000 -0.050 0.000 0.968 29 A HN 0.966 nan 8.150 nan 0.000 0.509 30 T N 0.699 115.190 114.554 -0.105 0.000 2.909 30 T HA 0.389 4.738 4.350 -0.001 0.000 0.289 30 T C 1.208 175.842 174.700 -0.109 0.000 1.005 30 T CA 0.141 62.169 62.100 -0.120 0.000 1.084 30 T CB 0.408 69.081 68.868 -0.324 0.000 0.975 30 T HN 1.180 nan 8.240 nan 0.000 0.509 31 S N 2.716 118.380 115.700 -0.061 0.000 2.578 31 S HA 0.277 4.746 4.470 -0.001 0.000 0.231 31 S C 0.318 174.898 174.600 -0.033 0.000 0.994 31 S CA -0.601 57.572 58.200 -0.044 0.000 0.956 31 S CB -0.150 63.037 63.200 -0.022 0.000 0.870 31 S HN 0.621 nan 8.310 nan 0.000 0.494 32 N N 1.991 120.668 118.700 -0.038 0.000 2.751 32 N HA 0.404 5.144 4.740 -0.001 0.000 0.234 32 N C -3.431 172.080 175.510 0.001 0.000 1.403 32 N CA -1.228 51.823 53.050 0.001 0.000 0.747 32 N CB 1.112 39.627 38.487 0.047 0.000 1.326 32 N HN -0.013 nan 8.380 nan 0.000 0.532 33 P HA 0.053 nan 4.420 nan 0.000 0.262 33 P C -0.544 176.843 177.300 0.145 0.000 1.182 33 P CA 0.425 63.473 63.100 -0.088 0.000 0.761 33 P CB 0.592 32.239 31.700 -0.088 0.000 0.795 34 K N 1.767 122.422 120.400 0.425 0.000 2.395 34 K HA 0.407 4.726 4.320 -0.001 0.000 0.245 34 K C -0.711 176.097 176.600 0.346 0.000 1.017 34 K CA -0.875 55.635 56.287 0.372 0.000 0.852 34 K CB 1.233 33.984 32.500 0.419 0.000 1.311 34 K HN 0.462 nan 8.250 nan 0.000 0.452 35 H N 0.693 119.845 119.070 0.138 0.000 2.519 35 H HA 0.453 5.009 4.556 -0.001 0.000 0.316 35 H C -1.258 174.119 175.328 0.083 0.000 1.065 35 H CA -0.635 55.464 56.048 0.085 0.000 1.264 35 H CB 0.381 30.170 29.762 0.046 0.000 1.413 35 H HN 0.127 nan 8.280 nan 0.000 0.465 36 V N 6.343 126.310 119.914 0.089 0.000 2.540 36 V HA 0.307 4.427 4.120 -0.001 0.000 0.302 36 V C -0.310 175.691 176.094 -0.156 0.000 1.035 36 V CA -0.937 61.327 62.300 -0.060 0.000 0.873 36 V CB 1.855 33.648 31.823 -0.050 0.000 0.992 36 V HN 0.553 nan 8.190 nan 0.000 0.428 37 V N 5.634 125.434 119.914 -0.192 0.000 2.427 37 V HA 0.491 4.611 4.120 -0.001 0.000 0.286 37 V C -0.291 175.736 176.094 -0.112 0.000 1.034 37 V CA -0.473 61.724 62.300 -0.171 0.000 0.893 37 V CB 1.720 33.437 31.823 -0.177 0.000 0.982 37 V HN 0.585 nan 8.190 nan 0.000 0.452 38 I N 5.493 125.995 120.570 -0.113 0.000 2.362 38 I HA 0.348 4.518 4.170 -0.001 0.000 0.289 38 I C -0.141 175.915 176.117 -0.102 0.000 0.994 38 I CA -0.568 60.676 61.300 -0.094 0.000 1.158 38 I CB 1.728 39.677 38.000 -0.086 0.000 1.315 38 I HN 0.233 nan 8.210 nan 0.000 0.451 39 V N 5.446 125.317 119.914 -0.073 0.000 2.334 39 V HA 0.745 4.864 4.120 -0.001 0.000 0.267 39 V C 0.594 176.666 176.094 -0.038 0.000 1.040 39 V CA -0.287 61.977 62.300 -0.061 0.000 0.866 39 V CB 0.463 32.271 31.823 -0.024 0.000 1.019 39 V HN 1.067 nan 8.190 nan 0.000 0.468 40 G N 4.147 112.905 108.800 -0.070 0.000 3.233 40 G HA2 0.281 4.240 3.960 -0.001 0.000 0.686 40 G HA3 0.281 4.240 3.960 -0.001 0.000 0.686 40 G C -0.208 174.656 174.900 -0.061 0.000 1.153 40 G CA -0.353 44.715 45.100 -0.053 0.000 0.853 40 G HN 1.422 nan 8.290 nan 0.000 0.582 41 A N 1.754 124.532 122.820 -0.070 0.000 3.159 41 A HA 0.777 5.097 4.320 -0.001 0.000 0.301 41 A C 1.325 178.895 177.584 -0.023 0.000 1.271 41 A CA 1.067 53.069 52.037 -0.057 0.000 0.998 41 A CB -0.252 18.695 19.000 -0.088 0.000 1.101 41 A HN 2.084 nan 8.150 nan 0.000 0.610 42 G N -1.174 107.618 108.800 -0.013 0.000 2.525 42 G HA2 0.413 4.373 3.960 -0.001 0.000 0.287 42 G HA3 0.413 4.373 3.960 -0.001 0.000 0.287 42 G C 0.971 175.858 174.900 -0.020 0.000 1.350 42 G CA -0.487 44.610 45.100 -0.005 0.000 1.039 42 G HN 0.108 nan 8.290 nan 0.000 0.513 43 M N 0.082 119.667 119.600 -0.026 0.000 2.213 43 M HA -0.063 4.417 4.480 -0.001 0.000 0.263 43 M C 2.807 179.076 176.300 -0.051 0.000 1.062 43 M CA 1.454 56.726 55.300 -0.047 0.000 1.105 43 M CB -1.582 30.994 32.600 -0.040 0.000 1.385 43 M HN 0.586 nan 8.290 nan 0.000 0.417 44 A N 0.059 122.862 122.820 -0.028 0.000 1.873 44 A HA 0.035 4.355 4.320 -0.001 0.000 0.215 44 A C 2.453 180.020 177.584 -0.028 0.000 1.186 44 A CA 1.904 53.923 52.037 -0.029 0.000 0.616 44 A CB -1.398 17.596 19.000 -0.011 0.000 0.823 44 A HN 0.483 nan 8.150 nan 0.000 0.442 45 G N -0.293 108.495 108.800 -0.020 0.000 2.402 45 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.216 45 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.216 45 G C 1.567 176.451 174.900 -0.027 0.000 1.162 45 G CA 0.962 46.046 45.100 -0.026 0.000 0.777 45 G HN 0.404 nan 8.290 nan 0.000 0.539 46 L N 0.773 121.978 121.223 -0.029 0.000 2.083 46 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 46 L C 3.192 180.057 176.870 -0.009 0.000 1.083 46 L CA 1.163 55.993 54.840 -0.016 0.000 0.752 46 L CB -0.303 41.735 42.059 -0.036 0.000 0.899 46 L HN 0.183 nan 8.230 nan 0.000 0.433 47 S N -0.192 115.471 115.700 -0.062 0.000 2.368 47 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 47 S C 2.195 176.820 174.600 0.042 0.000 1.029 47 S CA 1.150 59.306 58.200 -0.074 0.000 0.988 47 S CB -0.258 62.867 63.200 -0.126 0.000 0.838 47 S HN 0.496 nan 8.310 nan 0.000 0.462 48 A N 1.656 124.482 122.820 0.010 0.000 1.877 48 A HA 0.093 4.413 4.320 -0.001 0.000 0.216 48 A C 2.357 179.953 177.584 0.020 0.000 1.186 48 A CA 1.756 53.797 52.037 0.006 0.000 0.620 48 A CB -1.128 17.853 19.000 -0.032 0.000 0.822 48 A HN 0.511 nan 8.150 nan 0.000 0.443 49 A N -1.595 121.238 122.820 0.023 0.000 1.902 49 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 49 A C 2.144 179.769 177.584 0.069 0.000 1.181 49 A CA 1.662 53.712 52.037 0.023 0.000 0.623 49 A CB -0.862 18.141 19.000 0.006 0.000 0.818 49 A HN 0.705 nan 8.150 nan 0.000 0.443 50 Y N 1.135 121.434 120.300 -0.003 0.000 2.097 50 Y HA -0.254 4.295 4.550 -0.001 0.000 0.282 50 Y C 2.508 178.448 175.900 0.067 0.000 1.152 50 Y CA 2.625 60.748 58.100 0.038 0.000 1.136 50 Y CB -0.269 38.220 38.460 0.048 0.000 0.975 50 Y HN 0.205 nan 8.280 nan 0.000 0.498 51 V N -1.863 118.155 119.914 0.172 0.000 2.548 51 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 51 V C 2.118 178.229 176.094 0.029 0.000 1.055 51 V CA 1.680 64.039 62.300 0.098 0.000 1.065 51 V CB -0.968 30.965 31.823 0.183 0.000 0.681 51 V HN 0.446 nan 8.190 nan 0.000 0.462 52 L N 0.597 121.837 121.223 0.028 0.000 2.109 52 L HA 0.027 4.366 4.340 -0.001 0.000 0.207 52 L C 2.989 179.905 176.870 0.076 0.000 1.086 52 L CA 1.476 56.347 54.840 0.051 0.000 0.760 52 L CB -0.728 41.317 42.059 -0.024 0.000 0.910 52 L HN 0.421 nan 8.230 nan 0.000 0.437 53 A N 0.190 123.006 122.820 -0.007 0.000 1.898 53 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 53 A C 2.372 179.905 177.584 -0.085 0.000 1.181 53 A CA 1.560 53.573 52.037 -0.040 0.000 0.620 53 A CB -1.176 17.775 19.000 -0.082 0.000 0.819 53 A HN 0.421 nan 8.150 nan 0.000 0.442 54 G N -0.622 108.085 108.800 -0.155 0.000 2.432 54 G HA2 0.054 4.013 3.960 -0.001 0.000 0.219 54 G HA3 0.054 4.013 3.960 -0.001 0.000 0.219 54 G C 1.528 176.379 174.900 -0.080 0.000 1.135 54 G CA 1.178 46.182 45.100 -0.161 0.000 0.767 54 G HN 0.804 nan 8.290 nan 0.000 0.550 55 A N -0.583 122.219 122.820 -0.030 0.000 2.167 55 A HA 0.455 4.774 4.320 -0.001 0.000 0.214 55 A C 2.000 179.524 177.584 -0.099 0.000 1.151 55 A CA 1.509 53.535 52.037 -0.018 0.000 0.735 55 A CB -0.273 18.774 19.000 0.079 0.000 0.802 55 A HN 1.550 nan 8.150 nan 0.000 0.467 56 G N -2.120 106.619 108.800 -0.102 0.000 2.192 56 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.193 56 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.193 56 G C 0.007 174.784 174.900 -0.204 0.000 0.999 56 G CA 0.142 45.144 45.100 -0.164 0.000 0.659 56 G HN 0.684 nan 8.290 nan 0.000 0.503 57 H N 0.250 119.307 119.070 -0.021 0.000 2.546 57 H HA 0.584 5.139 4.556 -0.001 0.000 0.365 57 H C 0.533 175.865 175.328 0.007 0.000 1.220 57 H CA 0.176 56.226 56.048 0.004 0.000 1.386 57 H CB 0.802 30.570 29.762 0.010 0.000 1.510 57 H HN 0.237 nan 8.280 nan 0.000 0.591 58 Q N 2.252 122.159 119.800 0.177 0.000 2.322 58 Q HA 0.355 4.694 4.340 -0.001 0.000 0.256 58 Q C -1.150 174.971 176.000 0.201 0.000 0.960 58 Q CA -0.814 55.052 55.803 0.104 0.000 0.934 58 Q CB 0.569 29.308 28.738 0.002 0.000 1.200 58 Q HN 0.535 nan 8.270 nan 0.000 0.435 59 V N 1.437 121.418 119.914 0.111 0.000 2.581 59 V HA 0.735 4.854 4.120 -0.001 0.000 0.303 59 V C -0.577 175.540 176.094 0.039 0.000 1.041 59 V CA -0.445 61.906 62.300 0.084 0.000 0.907 59 V CB 2.023 33.855 31.823 0.016 0.000 0.994 59 V HN 0.685 nan 8.190 nan 0.000 0.442 60 T N 4.129 118.687 114.554 0.007 0.000 2.864 60 T HA 0.561 4.911 4.350 -0.001 0.000 0.299 60 T C -0.532 174.046 174.700 -0.204 0.000 1.011 60 T CA -0.305 61.727 62.100 -0.114 0.000 0.975 60 T CB 1.299 70.165 68.868 -0.003 0.000 0.962 60 T HN 0.730 nan 8.240 nan 0.000 0.448 61 V N 5.456 125.196 119.914 -0.291 0.000 2.394 61 V HA 0.483 4.602 4.120 -0.001 0.000 0.282 61 V C -0.222 175.660 176.094 -0.353 0.000 1.031 61 V CA -0.785 61.356 62.300 -0.265 0.000 0.881 61 V CB 1.240 32.933 31.823 -0.216 0.000 0.982 61 V HN 0.725 nan 8.190 nan 0.000 0.451 62 L N 4.450 125.495 121.223 -0.295 0.000 2.294 62 L HA 0.618 4.957 4.340 -0.001 0.000 0.283 62 L C -0.315 176.408 176.870 -0.245 0.000 1.015 62 L CA -0.433 54.211 54.840 -0.327 0.000 0.831 62 L CB 1.601 43.437 42.059 -0.372 0.000 1.217 62 L HN 0.616 nan 8.230 nan 0.000 0.420 63 E N 2.291 122.339 120.200 -0.254 0.000 2.158 63 E HA 0.506 4.855 4.350 -0.001 0.000 0.271 63 E C 0.373 176.890 176.600 -0.138 0.000 0.911 63 E CA -0.300 55.989 56.400 -0.185 0.000 0.767 63 E CB 2.064 31.651 29.700 -0.187 0.000 1.120 63 E HN 0.562 nan 8.360 nan 0.000 0.405 64 A N 3.673 126.363 122.820 -0.216 0.000 1.902 64 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 64 A C 1.289 178.680 177.584 -0.322 0.000 1.181 64 A CA 1.534 53.409 52.037 -0.271 0.000 0.623 64 A CB -0.751 18.006 19.000 -0.405 0.000 0.818 64 A HN 0.705 nan 8.150 nan 0.000 0.443 65 S N -0.282 115.135 115.700 -0.471 0.000 2.652 65 S HA 0.276 4.745 4.470 -0.001 0.000 0.267 65 S C 0.763 175.367 174.600 0.007 0.000 1.201 65 S CA 0.266 58.337 58.200 -0.215 0.000 0.996 65 S CB 0.528 63.610 63.200 -0.196 0.000 1.054 65 S HN 0.469 nan 8.310 nan 0.000 0.561 66 E N 0.206 120.376 120.200 -0.050 0.000 2.463 66 E HA 0.096 4.446 4.350 -0.001 0.000 0.193 66 E C 0.387 176.583 176.600 -0.673 0.000 1.041 66 E CA -0.230 56.046 56.400 -0.207 0.000 0.879 66 E CB -0.297 29.312 29.700 -0.152 0.000 0.997 66 E HN 0.756 nan 8.360 nan 0.000 0.478 67 R N -0.020 120.192 120.500 -0.479 0.000 2.799 67 R HA 0.643 4.982 4.340 -0.001 0.000 0.270 67 R C -3.049 173.165 176.300 -0.143 0.000 1.010 67 R CA -1.897 53.848 56.100 -0.591 0.000 0.916 67 R CB 1.512 31.619 30.300 -0.322 0.000 1.228 67 R HN -0.207 nan 8.270 nan 0.000 0.469 68 P HA 0.303 nan 4.420 nan 0.000 0.290 68 P C 0.027 177.312 177.300 -0.026 0.000 1.283 68 P CA 0.169 63.279 63.100 0.018 0.000 0.869 68 P CB 1.904 33.559 31.700 -0.076 0.000 1.100 69 G N 0.283 109.081 108.800 -0.003 0.000 2.428 69 G HA2 0.017 3.976 3.960 -0.001 0.000 0.199 69 G HA3 0.017 3.976 3.960 -0.001 0.000 0.199 69 G C 0.682 175.592 174.900 0.017 0.000 1.005 69 G CA 0.431 45.529 45.100 -0.003 0.000 0.671 69 G HN 0.899 nan 8.290 nan 0.000 0.485 70 G N 0.610 109.434 108.800 0.040 0.000 2.629 70 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.313 70 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.313 70 G C 0.983 175.948 174.900 0.109 0.000 1.217 70 G CA 1.494 46.636 45.100 0.072 0.000 0.994 70 G HN 1.077 nan 8.290 nan 0.000 0.549 71 R N -0.190 120.305 120.500 -0.009 0.000 2.280 71 R HA 0.206 4.545 4.340 -0.001 0.000 0.207 71 R C 0.858 177.062 176.300 -0.160 0.000 1.043 71 R CA 0.624 56.575 56.100 -0.249 0.000 1.006 71 R CB -0.047 29.937 30.300 -0.527 0.000 0.885 71 R HN 0.246 nan 8.270 nan 0.000 0.467 72 V N 2.356 122.243 119.914 -0.043 0.000 2.352 72 V HA 0.155 4.275 4.120 -0.001 0.000 0.253 72 V C 0.112 176.247 176.094 0.067 0.000 1.083 72 V CA 0.025 62.321 62.300 -0.006 0.000 0.993 72 V CB 0.304 32.118 31.823 -0.015 0.000 1.111 72 V HN 0.155 nan 8.190 nan 0.000 0.490 73 R N 3.028 123.615 120.500 0.145 0.000 2.621 73 R HA 0.637 4.976 4.340 -0.001 0.000 0.284 73 R C -1.062 175.326 176.300 0.146 0.000 0.998 73 R CA -0.395 55.806 56.100 0.169 0.000 0.895 73 R CB 2.178 32.663 30.300 0.308 0.000 1.195 73 R HN 0.583 nan 8.270 nan 0.000 0.450 74 T N 3.456 118.056 114.554 0.077 0.000 2.841 74 T HA 0.198 4.548 4.350 -0.001 0.000 0.285 74 T C -1.436 173.300 174.700 0.060 0.000 0.991 74 T CA -0.393 61.753 62.100 0.076 0.000 0.966 74 T CB 0.682 69.540 68.868 -0.017 0.000 0.962 74 T HN 0.435 nan 8.240 nan 0.000 0.438 75 Y N 3.817 124.095 120.300 -0.037 0.000 2.336 75 Y HA 0.525 5.075 4.550 -0.001 0.000 0.335 75 Y C 0.288 176.107 175.900 -0.134 0.000 1.046 75 Y CA -0.453 57.584 58.100 -0.105 0.000 1.198 75 Y CB 0.496 38.868 38.460 -0.146 0.000 1.182 75 Y HN 0.499 nan 8.280 nan 0.000 0.502 76 R N 4.276 124.387 120.500 -0.647 0.000 2.670 76 R HA 0.291 4.630 4.340 -0.001 0.000 0.289 76 R C -1.154 174.653 176.300 -0.823 0.000 0.965 76 R CA -1.038 54.728 56.100 -0.556 0.000 0.899 76 R CB 1.332 31.433 30.300 -0.332 0.000 1.173 76 R HN 0.587 nan 8.270 nan 0.000 0.456 77 N N 2.191 120.389 118.700 -0.837 0.000 2.804 77 N HA 0.018 4.758 4.740 -0.001 0.000 0.251 77 N C 0.108 175.317 175.510 -0.503 0.000 1.250 77 N CA 0.002 52.596 53.050 -0.760 0.000 0.820 77 N CB 1.203 39.007 38.487 -1.140 0.000 1.156 77 N HN 0.584 nan 8.380 nan 0.000 0.512 78 E N 1.235 121.237 120.200 -0.329 0.000 2.065 78 E HA -0.217 4.133 4.350 -0.001 0.000 0.201 78 E C 1.130 177.642 176.600 -0.147 0.000 1.016 78 E CA 1.544 57.824 56.400 -0.200 0.000 0.818 78 E CB 0.243 29.851 29.700 -0.153 0.000 0.749 78 E HN 0.491 nan 8.360 nan 0.000 0.453 79 E N -0.182 119.940 120.200 -0.129 0.000 2.013 79 E HA -0.184 4.166 4.350 -0.001 0.000 0.202 79 E C 1.944 178.528 176.600 -0.026 0.000 1.018 79 E CA 1.494 57.857 56.400 -0.062 0.000 0.834 79 E CB -0.749 28.924 29.700 -0.044 0.000 0.770 79 E HN 0.297 nan 8.360 nan 0.000 0.459 80 A N -0.347 122.459 122.820 -0.024 0.000 2.178 80 A HA 0.038 4.357 4.320 -0.001 0.000 0.218 80 A C 1.547 179.214 177.584 0.137 0.000 1.157 80 A CA 1.564 53.678 52.037 0.128 0.000 0.689 80 A CB -0.627 18.581 19.000 0.348 0.000 0.787 80 A HN 0.410 nan 8.150 nan 0.000 0.465 81 G N -1.897 106.871 108.800 -0.053 0.000 2.225 81 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.264 81 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.264 81 G C -0.111 174.652 174.900 -0.228 0.000 1.060 81 G CA 0.404 45.466 45.100 -0.062 0.000 0.833 81 G HN 1.438 nan 8.290 nan 0.000 0.498 82 W N -1.611 119.406 121.300 -0.472 0.000 3.025 82 W HA 0.742 5.401 4.660 -0.001 0.000 0.343 82 W C -0.715 175.579 176.519 -0.375 0.000 1.246 82 W CA -1.586 55.144 57.345 -1.026 0.000 1.178 82 W CB 0.657 29.595 29.460 -0.870 0.000 1.463 82 W HN 0.563 nan 8.180 nan 0.000 0.578 83 Y N -0.295 120.056 120.300 0.086 0.000 2.644 83 Y HA 0.878 5.427 4.550 -0.001 0.000 0.338 83 Y C -1.548 174.697 175.900 0.576 0.000 1.119 83 Y CA -1.864 56.363 58.100 0.212 0.000 1.060 83 Y CB 1.267 39.801 38.460 0.123 0.000 1.294 83 Y HN 0.846 nan 8.280 nan 0.000 0.472 84 A N 1.709 124.909 122.820 0.634 0.000 2.437 84 A HA 0.497 4.817 4.320 -0.001 0.000 0.293 84 A C -1.887 175.875 177.584 0.296 0.000 1.038 84 A CA -1.042 51.226 52.037 0.385 0.000 0.708 84 A CB 0.687 19.659 19.000 -0.047 0.000 1.251 84 A HN 0.861 nan 8.150 nan 0.000 0.409 85 N N 2.122 121.070 118.700 0.413 0.000 2.405 85 N HA 0.283 5.022 4.740 -0.001 0.000 0.260 85 N C 0.948 176.637 175.510 0.299 0.000 1.152 85 N CA -0.333 52.904 53.050 0.312 0.000 0.948 85 N CB 0.766 39.439 38.487 0.311 0.000 1.111 85 N HN 0.646 nan 8.380 nan 0.000 0.485 86 L N 1.142 122.512 121.223 0.245 0.000 2.240 86 L HA 0.101 4.441 4.340 -0.001 0.000 0.211 86 L C 1.722 178.953 176.870 0.601 0.000 1.106 86 L CA 0.598 55.662 54.840 0.374 0.000 0.793 86 L CB -0.247 41.961 42.059 0.248 0.000 0.927 86 L HN 0.619 nan 8.230 nan 0.000 0.446 87 G N -0.609 108.432 108.800 0.403 0.000 2.887 87 G HA2 0.263 4.222 3.960 -0.001 0.000 0.210 87 G HA3 0.263 4.222 3.960 -0.001 0.000 0.210 87 G C -2.328 172.526 174.900 -0.076 0.000 1.964 87 G CA -0.201 44.957 45.100 0.097 0.000 0.738 87 G HN -0.006 nan 8.290 nan 0.000 0.790 88 P HA 0.166 nan 4.420 nan 0.000 0.265 88 P C 0.367 177.625 177.300 -0.070 0.000 1.187 88 P CA 0.885 63.914 63.100 -0.118 0.000 0.766 88 P CB 0.666 32.323 31.700 -0.072 0.000 0.820 89 M N 1.404 120.920 119.600 -0.139 0.000 2.163 89 M HA 0.272 4.752 4.480 -0.001 0.000 0.356 89 M C -0.088 176.032 176.300 -0.301 0.000 0.863 89 M CA -0.079 55.133 55.300 -0.147 0.000 1.113 89 M CB 0.928 33.403 32.600 -0.207 0.000 2.038 89 M HN 0.120 nan 8.290 nan 0.000 0.691 90 R N 0.989 121.324 120.500 -0.275 0.000 2.680 90 R HA 0.811 5.150 4.340 -0.001 0.000 0.269 90 R C -2.015 174.374 176.300 0.148 0.000 1.026 90 R CA -0.879 55.094 56.100 -0.213 0.000 0.889 90 R CB 1.696 31.597 30.300 -0.665 0.000 1.241 90 R HN 0.242 nan 8.270 nan 0.000 0.463 91 L N 1.379 122.706 121.223 0.173 0.000 2.381 91 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 91 L C -2.521 174.247 176.870 -0.171 0.000 0.988 91 L CA -2.516 52.396 54.840 0.119 0.000 0.824 91 L CB 2.532 44.655 42.059 0.107 0.000 1.263 91 L HN 0.407 nan 8.230 nan 0.000 0.410 92 P HA 0.037 nan 4.420 nan 0.000 0.271 92 P C 0.395 177.281 177.300 -0.689 0.000 1.216 92 P CA -0.190 62.193 63.100 -1.196 0.000 0.776 92 P CB 0.886 31.641 31.700 -1.575 0.000 0.881 93 E N 2.937 122.783 120.200 -0.590 0.000 2.204 93 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 93 E C 1.835 178.292 176.600 -0.238 0.000 0.990 93 E CA 1.569 57.784 56.400 -0.308 0.000 0.821 93 E CB -0.216 29.338 29.700 -0.243 0.000 0.750 93 E HN 0.330 nan 8.360 nan 0.000 0.477 94 K N 0.546 120.749 120.400 -0.329 0.000 2.439 94 K HA -0.066 4.254 4.320 -0.001 0.000 0.197 94 K C 0.250 176.833 176.600 -0.029 0.000 1.041 94 K CA 1.066 57.234 56.287 -0.197 0.000 0.970 94 K CB -0.900 31.444 32.500 -0.259 0.000 0.773 94 K HN 0.426 nan 8.250 nan 0.000 0.479 95 H N 1.177 120.144 119.070 -0.172 0.000 3.014 95 H HA 0.155 4.711 4.556 -0.001 0.000 0.266 95 H C 0.789 176.140 175.328 0.038 0.000 1.455 95 H CA -1.066 54.948 56.048 -0.057 0.000 1.402 95 H CB 0.760 30.462 29.762 -0.100 0.000 1.626 95 H HN 0.226 nan 8.280 nan 0.000 0.520 96 R N 2.160 122.808 120.500 0.247 0.000 2.115 96 R HA -0.074 4.266 4.340 -0.001 0.000 0.226 96 R C 1.764 178.095 176.300 0.052 0.000 1.100 96 R CA 0.616 56.799 56.100 0.138 0.000 0.980 96 R CB -0.137 30.264 30.300 0.168 0.000 0.875 96 R HN 0.591 nan 8.270 nan 0.000 0.445 97 I N 0.369 120.976 120.570 0.060 0.000 2.202 97 I HA -0.209 3.960 4.170 -0.001 0.000 0.242 97 I C 2.525 178.699 176.117 0.096 0.000 1.091 97 I CA 1.037 62.328 61.300 -0.014 0.000 1.368 97 I CB -0.379 37.603 38.000 -0.030 0.000 1.058 97 I HN -0.055 nan 8.210 nan 0.000 0.410 98 V N 1.210 121.211 119.914 0.144 0.000 2.427 98 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 98 V C 2.555 178.735 176.094 0.142 0.000 1.051 98 V CA 1.821 64.231 62.300 0.183 0.000 1.048 98 V CB -0.475 31.444 31.823 0.159 0.000 0.666 98 V HN 0.339 nan 8.190 nan 0.000 0.456 99 R N -0.250 120.304 120.500 0.089 0.000 2.148 99 R HA -0.147 4.193 4.340 -0.001 0.000 0.227 99 R C 2.232 178.526 176.300 -0.010 0.000 1.103 99 R CA 1.476 57.603 56.100 0.046 0.000 0.983 99 R CB -0.228 30.089 30.300 0.028 0.000 0.874 99 R HN 0.622 nan 8.270 nan 0.000 0.451 100 E N 0.096 120.255 120.200 -0.069 0.000 2.072 100 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 100 E C 1.258 177.688 176.600 -0.284 0.000 0.985 100 E CA 1.522 57.801 56.400 -0.202 0.000 0.801 100 E CB -0.238 29.276 29.700 -0.310 0.000 0.750 100 E HN 0.322 nan 8.360 nan 0.000 0.452 101 Y N 0.238 120.450 120.300 -0.146 0.000 2.293 101 Y HA 0.013 4.563 4.550 -0.001 0.000 0.291 101 Y C 2.188 177.988 175.900 -0.166 0.000 1.137 101 Y CA 1.103 59.040 58.100 -0.271 0.000 1.202 101 Y CB -0.168 38.228 38.460 -0.107 0.000 0.990 101 Y HN 0.082 nan 8.280 nan 0.000 0.537 102 I N -0.386 120.260 120.570 0.127 0.000 2.226 102 I HA -0.338 3.832 4.170 -0.001 0.000 0.245 102 I C 2.281 178.434 176.117 0.061 0.000 1.100 102 I CA 1.429 62.812 61.300 0.138 0.000 1.374 102 I CB -0.300 37.763 38.000 0.105 0.000 1.057 102 I HN 0.181 nan 8.210 nan 0.000 0.413 103 R N 0.602 121.090 120.500 -0.020 0.000 2.073 103 R HA -0.159 4.181 4.340 -0.001 0.000 0.229 103 R C 2.326 178.574 176.300 -0.088 0.000 1.120 103 R CA 1.027 57.102 56.100 -0.042 0.000 0.967 103 R CB -0.376 29.886 30.300 -0.064 0.000 0.862 103 R HN 0.279 nan 8.270 nan 0.000 0.436 104 K N 0.507 120.776 120.400 -0.219 0.000 2.113 104 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 104 K C 0.963 177.400 176.600 -0.272 0.000 1.047 104 K CA 1.437 57.523 56.287 -0.335 0.000 0.928 104 K CB 0.002 32.136 32.500 -0.609 0.000 0.716 104 K HN 0.056 nan 8.250 nan 0.000 0.446 105 F N 0.855 120.828 119.950 0.038 0.000 2.732 105 F HA 0.127 4.653 4.527 -0.001 0.000 0.303 105 F C 0.129 175.943 175.800 0.024 0.000 1.110 105 F CA 0.074 58.093 58.000 0.032 0.000 1.355 105 F CB -0.295 38.718 39.000 0.022 0.000 1.081 105 F HN 0.153 nan 8.300 nan 0.000 0.565 106 D N 0.512 120.992 120.400 0.134 0.000 2.870 106 D HA -0.192 4.448 4.640 -0.001 0.000 0.228 106 D C -0.139 176.217 176.300 0.092 0.000 1.147 106 D CA 0.298 54.352 54.000 0.090 0.000 0.757 106 D CB -0.889 39.960 40.800 0.082 0.000 1.091 106 D HN 0.165 nan 8.370 nan 0.000 0.429 107 L N -0.432 120.857 121.223 0.110 0.000 2.439 107 L HA 0.576 4.916 4.340 -0.001 0.000 0.259 107 L C 1.203 178.112 176.870 0.066 0.000 1.129 107 L CA -0.531 54.362 54.840 0.088 0.000 0.803 107 L CB 1.049 43.171 42.059 0.106 0.000 1.161 107 L HN -0.042 nan 8.230 nan 0.000 0.462 108 R N 0.638 121.171 120.500 0.056 0.000 2.854 108 R HA 0.732 5.072 4.340 -0.001 0.000 0.271 108 R C -1.264 175.072 176.300 0.060 0.000 0.996 108 R CA -0.850 55.282 56.100 0.053 0.000 0.961 108 R CB 1.992 32.322 30.300 0.050 0.000 1.182 108 R HN 0.414 nan 8.270 nan 0.000 0.479 109 L N 0.960 122.220 121.223 0.062 0.000 2.330 109 L HA 0.528 4.867 4.340 -0.001 0.000 0.271 109 L C -0.582 176.340 176.870 0.087 0.000 1.013 109 L CA -0.984 53.902 54.840 0.077 0.000 0.816 109 L CB 1.885 43.985 42.059 0.068 0.000 1.287 109 L HN 0.569 nan 8.230 nan 0.000 0.435 110 N N 0.400 119.171 118.700 0.117 0.000 2.310 110 N HA 0.146 4.886 4.740 -0.001 0.000 0.292 110 N C -1.008 174.603 175.510 0.169 0.000 1.049 110 N CA -0.643 52.485 53.050 0.130 0.000 0.849 110 N CB 1.939 40.514 38.487 0.147 0.000 1.532 110 N HN 0.592 nan 8.380 nan 0.000 0.479 111 E N 2.703 122.989 120.200 0.143 0.000 2.452 111 E HA 0.019 4.368 4.350 -0.001 0.000 0.261 111 E C -1.169 175.568 176.600 0.229 0.000 0.987 111 E CA 0.090 56.593 56.400 0.172 0.000 0.926 111 E CB 0.348 30.117 29.700 0.115 0.000 0.934 111 E HN 0.441 nan 8.360 nan 0.000 0.452 112 F N 4.486 124.520 119.950 0.140 0.000 2.388 112 F HA 0.248 4.775 4.527 -0.001 0.000 0.358 112 F C -0.180 175.689 175.800 0.114 0.000 1.122 112 F CA -0.623 57.460 58.000 0.139 0.000 1.056 112 F CB 1.316 40.410 39.000 0.156 0.000 1.155 112 F HN 0.354 nan 8.300 nan 0.000 0.461 113 S N 4.657 120.240 115.700 -0.194 0.000 2.510 113 S HA 0.086 4.555 4.470 -0.001 0.000 0.279 113 S C 0.856 175.425 174.600 -0.053 0.000 1.284 113 S CA -0.416 57.731 58.200 -0.088 0.000 1.059 113 S CB 0.726 63.853 63.200 -0.121 0.000 0.901 113 S HN 0.814 nan 8.310 nan 0.000 0.491 114 Q N 2.425 122.261 119.800 0.060 0.000 2.398 114 Q HA 0.232 4.572 4.340 -0.001 0.000 0.204 114 Q C 0.352 176.374 176.000 0.036 0.000 0.932 114 Q CA 0.602 56.443 55.803 0.064 0.000 0.916 114 Q CB 0.286 29.018 28.738 -0.009 0.000 1.024 114 Q HN 0.888 nan 8.270 nan 0.000 0.504 115 E N -0.083 120.119 120.200 0.004 0.000 2.375 115 E HA 0.334 4.683 4.350 -0.001 0.000 0.280 115 E C -1.748 174.827 176.600 -0.042 0.000 0.972 115 E CA -0.369 56.021 56.400 -0.017 0.000 0.782 115 E CB 1.435 31.141 29.700 0.009 0.000 1.229 115 E HN 0.004 nan 8.360 nan 0.000 0.439 116 N N 2.629 121.284 118.700 -0.074 0.000 2.533 116 N HA 0.155 4.894 4.740 -0.001 0.000 0.289 116 N C -0.444 174.989 175.510 -0.128 0.000 1.103 116 N CA -0.425 52.565 53.050 -0.099 0.000 0.877 116 N CB 1.167 39.572 38.487 -0.138 0.000 1.419 116 N HN 0.402 nan 8.380 nan 0.000 0.517 117 D N 1.864 122.205 120.400 -0.100 0.000 2.271 117 D HA -0.140 4.500 4.640 -0.001 0.000 0.207 117 D C 0.505 176.683 176.300 -0.204 0.000 0.983 117 D CA 1.333 55.267 54.000 -0.109 0.000 0.878 117 D CB 0.078 40.834 40.800 -0.073 0.000 0.920 117 D HN 0.630 nan 8.370 nan 0.000 0.479 118 N N -0.237 118.314 118.700 -0.249 0.000 2.412 118 N HA 0.120 4.859 4.740 -0.001 0.000 0.184 118 N C 0.675 175.823 175.510 -0.603 0.000 1.101 118 N CA -0.151 52.670 53.050 -0.381 0.000 0.881 118 N CB 0.439 38.757 38.487 -0.281 0.000 0.969 118 N HN 0.054 nan 8.380 nan 0.000 0.459 119 A N 0.369 122.901 122.820 -0.480 0.000 2.262 119 A HA 0.383 4.703 4.320 -0.001 0.000 0.273 119 A C -0.721 176.514 177.584 -0.581 0.000 1.202 119 A CA 0.024 51.771 52.037 -0.483 0.000 0.811 119 A CB 0.196 19.042 19.000 -0.257 0.000 1.159 119 A HN 0.255 nan 8.150 nan 0.000 0.505 120 W N -3.161 118.064 121.300 -0.124 0.000 2.799 120 W HA 0.618 5.278 4.660 -0.001 0.000 0.349 120 W C -1.400 175.048 176.519 -0.118 0.000 1.100 120 W CA -0.125 57.177 57.345 -0.072 0.000 1.174 120 W CB 1.204 30.612 29.460 -0.086 0.000 1.427 120 W HN 0.506 nan 8.180 nan 0.000 0.547 121 Y N 1.519 122.026 120.300 0.345 0.000 2.350 121 Y HA 0.451 5.000 4.550 -0.001 0.000 0.338 121 Y C -0.972 175.085 175.900 0.261 0.000 0.961 121 Y CA -1.192 57.037 58.100 0.215 0.000 1.100 121 Y CB 1.411 39.957 38.460 0.143 0.000 1.179 121 Y HN 0.227 nan 8.280 nan 0.000 0.454 122 F N 6.080 126.138 119.950 0.180 0.000 2.676 122 F HA 0.584 5.111 4.527 -0.001 0.000 0.371 122 F C -1.736 174.094 175.800 0.051 0.000 1.141 122 F CA -0.847 57.196 58.000 0.072 0.000 1.133 122 F CB 0.257 39.248 39.000 -0.016 0.000 1.376 122 F HN 0.215 nan 8.300 nan 0.000 0.491 123 I N 5.296 125.739 120.570 -0.211 0.000 2.436 123 I HA 0.262 4.432 4.170 -0.001 0.000 0.289 123 I C 0.212 176.138 176.117 -0.319 0.000 1.010 123 I CA -0.919 60.279 61.300 -0.171 0.000 1.098 123 I CB 1.872 39.868 38.000 -0.007 0.000 1.266 123 I HN 0.496 nan 8.210 nan 0.000 0.434 124 K N 4.405 124.636 120.400 -0.282 0.000 3.077 124 K HA -0.268 4.052 4.320 -0.001 0.000 0.264 124 K C 0.121 176.520 176.600 -0.336 0.000 1.008 124 K CA 0.927 57.053 56.287 -0.268 0.000 0.740 124 K CB -1.209 31.134 32.500 -0.262 0.000 1.273 124 K HN 0.842 nan 8.250 nan 0.000 0.477 125 N N -1.394 116.977 118.700 -0.548 0.000 2.800 125 N HA -0.206 4.533 4.740 -0.001 0.000 0.250 125 N C -0.522 174.646 175.510 -0.571 0.000 1.078 125 N CA 1.282 53.950 53.050 -0.636 0.000 0.804 125 N CB -0.689 37.655 38.487 -0.238 0.000 1.135 125 N HN 0.408 nan 8.380 nan 0.000 0.565 126 I N 0.778 121.021 120.570 -0.544 0.000 2.321 126 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 126 I C 0.540 176.516 176.117 -0.235 0.000 0.998 126 I CA -0.504 60.625 61.300 -0.285 0.000 1.227 126 I CB 1.472 39.361 38.000 -0.184 0.000 1.368 126 I HN 0.073 nan 8.210 nan 0.000 0.466 127 R N 6.844 127.330 120.500 -0.024 0.000 2.288 127 R HA 0.467 4.807 4.340 -0.001 0.000 0.326 127 R C -1.228 175.236 176.300 0.273 0.000 0.959 127 R CA -0.586 55.632 56.100 0.197 0.000 0.834 127 R CB 0.697 31.138 30.300 0.236 0.000 1.157 127 R HN 0.458 nan 8.270 nan 0.000 0.470 128 K N 3.094 123.731 120.400 0.394 0.000 2.508 128 K HA 0.341 4.660 4.320 -0.001 0.000 0.260 128 K C -0.875 175.982 176.600 0.428 0.000 0.949 128 K CA -1.050 55.461 56.287 0.374 0.000 0.834 128 K CB 1.852 34.465 32.500 0.189 0.000 1.365 128 K HN 0.415 nan 8.250 nan 0.000 0.437 129 K N 1.112 121.612 120.400 0.167 0.000 2.355 129 K HA 0.090 4.409 4.320 -0.001 0.000 0.270 129 K C 1.315 177.951 176.600 0.059 0.000 1.003 129 K CA -0.049 56.149 56.287 -0.149 0.000 0.957 129 K CB 0.863 33.192 32.500 -0.285 0.000 0.939 129 K HN 0.256 nan 8.250 nan 0.000 0.482 130 V N 2.380 122.302 119.914 0.012 0.000 2.392 130 V HA -0.241 3.878 4.120 -0.001 0.000 0.249 130 V C 2.250 178.414 176.094 0.116 0.000 1.059 130 V CA 2.470 64.880 62.300 0.184 0.000 1.051 130 V CB -0.721 31.098 31.823 -0.007 0.000 0.658 130 V HN 1.036 nan 8.190 nan 0.000 0.455 131 G N -0.702 108.096 108.800 -0.004 0.000 2.422 131 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.218 131 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.218 131 G C 1.455 176.361 174.900 0.008 0.000 1.146 131 G CA 0.842 45.937 45.100 -0.008 0.000 0.769 131 G HN 0.583 nan 8.290 nan 0.000 0.547 132 E N -0.096 120.110 120.200 0.011 0.000 2.072 132 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 132 E C 2.712 179.319 176.600 0.013 0.000 0.985 132 E CA 0.913 57.323 56.400 0.016 0.000 0.801 132 E CB -0.117 29.601 29.700 0.031 0.000 0.750 132 E HN 0.306 nan 8.360 nan 0.000 0.452 133 V N 1.665 121.590 119.914 0.017 0.000 2.515 133 V HA -0.235 3.885 4.120 -0.001 0.000 0.250 133 V C 2.029 178.101 176.094 -0.037 0.000 1.058 133 V CA 1.625 63.887 62.300 -0.063 0.000 1.064 133 V CB -0.364 31.299 31.823 -0.267 0.000 0.675 133 V HN 0.184 nan 8.190 nan 0.000 0.461 134 K N 0.074 120.486 120.400 0.020 0.000 2.097 134 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 134 K C 2.170 178.775 176.600 0.008 0.000 1.049 134 K CA 1.300 57.602 56.287 0.025 0.000 0.933 134 K CB -0.151 32.375 32.500 0.043 0.000 0.717 134 K HN 0.428 nan 8.250 nan 0.000 0.442 135 K N 0.000 120.403 120.400 0.005 0.000 2.243 135 K HA -0.048 4.271 4.320 -0.001 0.000 0.201 135 K C 0.240 176.840 176.600 -0.001 0.000 1.051 135 K CA 0.704 56.992 56.287 0.003 0.000 0.970 135 K CB 0.288 32.790 32.500 0.003 0.000 0.755 135 K HN -0.016 nan 8.250 nan 0.000 0.465 136 D N -0.162 120.234 120.400 -0.007 0.000 2.405 136 D HA 0.170 4.809 4.640 -0.001 0.000 0.264 136 D C -2.358 173.929 176.300 -0.022 0.000 1.240 136 D CA -2.260 51.735 54.000 -0.009 0.000 0.893 136 D CB 1.399 42.197 40.800 -0.004 0.000 1.198 136 D HN -0.231 nan 8.370 nan 0.000 0.514 137 P HA -0.026 nan 4.420 nan 0.000 0.218 137 P C 1.423 178.719 177.300 -0.007 0.000 1.148 137 P CA 0.944 64.023 63.100 -0.035 0.000 0.822 137 P CB 0.321 32.007 31.700 -0.023 0.000 0.784 138 G N -0.673 108.129 108.800 0.004 0.000 2.535 138 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 138 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 138 G C 1.308 176.210 174.900 0.002 0.000 1.122 138 G CA 0.129 45.238 45.100 0.016 0.000 0.769 138 G HN 0.169 nan 8.290 nan 0.000 0.549 139 L N 0.284 121.499 121.223 -0.013 0.000 2.187 139 L HA 0.060 4.399 4.340 -0.001 0.000 0.213 139 L C 2.505 179.351 176.870 -0.041 0.000 1.100 139 L CA 1.159 55.985 54.840 -0.024 0.000 0.765 139 L CB -0.277 41.767 42.059 -0.024 0.000 0.904 139 L HN 0.229 nan 8.230 nan 0.000 0.437 140 L N -0.919 120.285 121.223 -0.031 0.000 2.612 140 L HA 0.001 4.341 4.340 -0.001 0.000 0.230 140 L C 0.750 177.528 176.870 -0.153 0.000 1.140 140 L CA -0.021 54.782 54.840 -0.061 0.000 0.896 140 L CB -0.343 41.750 42.059 0.057 0.000 1.065 140 L HN 0.232 nan 8.230 nan 0.000 0.447 141 K N -0.452 119.902 120.400 -0.077 0.000 3.035 141 K HA -0.235 4.085 4.320 -0.001 0.000 0.262 141 K C -0.751 175.772 176.600 -0.129 0.000 1.024 141 K CA 0.589 56.818 56.287 -0.098 0.000 0.748 141 K CB -1.903 30.517 32.500 -0.133 0.000 1.247 141 K HN 0.203 nan 8.250 nan 0.000 0.482 142 Y N 1.424 121.703 120.300 -0.035 0.000 2.359 142 Y HA 0.131 4.680 4.550 -0.001 0.000 0.334 142 Y C -1.417 174.474 175.900 -0.014 0.000 1.058 142 Y CA -2.143 55.945 58.100 -0.021 0.000 1.244 142 Y CB 0.433 38.885 38.460 -0.014 0.000 1.187 142 Y HN 0.038 nan 8.280 nan 0.000 0.510 143 P HA 0.065 nan 4.420 nan 0.000 0.273 143 P C -0.779 176.566 177.300 0.075 0.000 1.319 143 P CA 0.184 63.324 63.100 0.066 0.000 0.885 143 P CB 0.155 31.877 31.700 0.036 0.000 1.015 144 V N 1.306 121.257 119.914 0.062 0.000 3.096 144 V HA 0.533 4.652 4.120 -0.001 0.000 0.319 144 V C 0.441 176.550 176.094 0.025 0.000 1.103 144 V CA -1.368 60.959 62.300 0.044 0.000 1.016 144 V CB 1.554 33.402 31.823 0.042 0.000 1.090 144 V HN 0.175 nan 8.190 nan 0.000 0.449 145 K N 1.859 122.268 120.400 0.016 0.000 2.202 145 K HA 0.313 4.633 4.320 -0.001 0.000 0.264 145 K C -1.590 175.015 176.600 0.008 0.000 1.010 145 K CA -1.289 55.003 56.287 0.008 0.000 0.940 145 K CB 0.906 33.407 32.500 0.002 0.000 0.983 145 K HN 0.528 nan 8.250 nan 0.000 0.475 146 P HA -0.228 nan 4.420 nan 0.000 0.217 146 P C 0.971 178.274 177.300 0.005 0.000 1.148 146 P CA 1.533 64.636 63.100 0.005 0.000 0.828 146 P CB 0.120 31.822 31.700 0.003 0.000 0.783 147 S N -0.545 115.157 115.700 0.003 0.000 2.461 147 S HA -0.051 4.419 4.470 -0.001 0.000 0.228 147 S C 1.690 176.292 174.600 0.004 0.000 1.005 147 S CA 0.532 58.733 58.200 0.003 0.000 0.942 147 S CB -0.813 62.386 63.200 -0.001 0.000 0.776 147 S HN 0.283 nan 8.310 nan 0.000 0.514 148 E N 1.438 121.642 120.200 0.006 0.000 2.447 148 E HA 0.380 4.729 4.350 -0.001 0.000 0.195 148 E C 0.742 177.348 176.600 0.011 0.000 1.028 148 E CA 0.111 56.516 56.400 0.008 0.000 0.876 148 E CB 0.096 29.801 29.700 0.008 0.000 0.885 148 E HN 0.641 nan 8.360 nan 0.000 0.500 149 A N 0.837 123.664 122.820 0.011 0.000 2.531 149 A HA 0.329 4.648 4.320 -0.001 0.000 0.236 149 A C 1.442 179.032 177.584 0.010 0.000 1.062 149 A CA 0.807 52.852 52.037 0.012 0.000 0.760 149 A CB -0.331 18.675 19.000 0.011 0.000 0.995 149 A HN 0.361 nan 8.150 nan 0.000 0.501 150 G N 1.031 109.837 108.800 0.010 0.000 2.184 150 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.264 150 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.264 150 G C 0.257 175.161 174.900 0.006 0.000 0.975 150 G CA 1.026 46.130 45.100 0.007 0.000 0.642 150 G HN 0.884 nan 8.290 nan 0.000 0.536 151 K N 0.962 121.366 120.400 0.006 0.000 2.123 151 K HA 0.585 4.904 4.320 -0.001 0.000 0.259 151 K C 0.787 177.387 176.600 0.000 0.000 0.960 151 K CA 0.067 56.358 56.287 0.007 0.000 0.872 151 K CB 1.514 34.022 32.500 0.012 0.000 1.079 151 K HN 0.365 nan 8.250 nan 0.000 0.440 152 S N 0.707 116.410 115.700 0.004 0.000 2.632 152 S HA 0.230 4.699 4.470 -0.001 0.000 0.267 152 S C 1.256 175.857 174.600 0.002 0.000 1.276 152 S CA -0.249 57.949 58.200 -0.004 0.000 0.998 152 S CB 1.487 64.694 63.200 0.011 0.000 0.953 152 S HN 0.682 nan 8.310 nan 0.000 0.547 153 A N 2.042 124.852 122.820 -0.016 0.000 1.908 153 A HA 0.067 4.387 4.320 -0.001 0.000 0.218 153 A C 2.204 179.826 177.584 0.063 0.000 1.181 153 A CA 1.924 53.958 52.037 -0.005 0.000 0.627 153 A CB -1.878 17.103 19.000 -0.033 0.000 0.818 153 A HN 1.191 nan 8.150 nan 0.000 0.445 154 G N -0.962 107.873 108.800 0.058 0.000 2.418 154 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 154 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 154 G C 1.609 176.578 174.900 0.115 0.000 1.158 154 G CA 1.003 46.151 45.100 0.080 0.000 0.771 154 G HN 0.671 nan 8.290 nan 0.000 0.545 155 Q N -0.196 119.649 119.800 0.075 0.000 2.079 155 Q HA 0.072 4.412 4.340 -0.001 0.000 0.200 155 Q C 2.675 178.725 176.000 0.084 0.000 0.974 155 Q CA 0.790 56.634 55.803 0.068 0.000 0.840 155 Q CB -0.283 28.479 28.738 0.040 0.000 0.898 155 Q HN 0.426 nan 8.270 nan 0.000 0.430 156 L N -0.422 120.850 121.223 0.081 0.000 2.042 156 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 156 L C 2.421 179.360 176.870 0.115 0.000 1.076 156 L CA 1.399 56.283 54.840 0.075 0.000 0.749 156 L CB -0.537 41.555 42.059 0.055 0.000 0.893 156 L HN 0.260 nan 8.230 nan 0.000 0.432 157 Y N 0.932 121.266 120.300 0.057 0.000 2.133 157 Y HA -0.277 4.272 4.550 -0.001 0.000 0.287 157 Y C 2.621 178.588 175.900 0.112 0.000 1.134 157 Y CA 1.763 59.922 58.100 0.098 0.000 1.133 157 Y CB 0.037 38.554 38.460 0.096 0.000 0.987 157 Y HN 0.060 nan 8.280 nan 0.000 0.502 158 E N 0.728 121.066 120.200 0.229 0.000 2.058 158 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 158 E C 2.063 178.693 176.600 0.050 0.000 0.997 158 E CA 1.916 58.404 56.400 0.147 0.000 0.801 158 E CB -0.254 29.535 29.700 0.147 0.000 0.746 158 E HN 0.623 nan 8.360 nan 0.000 0.450 159 E N -0.391 119.836 120.200 0.045 0.000 2.153 159 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 159 E C 1.881 178.482 176.600 0.002 0.000 0.988 159 E CA 1.147 57.562 56.400 0.025 0.000 0.811 159 E CB -0.115 29.599 29.700 0.024 0.000 0.746 159 E HN 0.274 nan 8.360 nan 0.000 0.466 160 S N 0.474 116.159 115.700 -0.025 0.000 2.474 160 S HA -0.054 4.416 4.470 -0.001 0.000 0.235 160 S C 1.807 176.443 174.600 0.059 0.000 0.997 160 S CA 0.441 58.625 58.200 -0.027 0.000 0.949 160 S CB -0.250 62.917 63.200 -0.056 0.000 0.766 160 S HN 0.194 nan 8.310 nan 0.000 0.517 161 L N 1.287 122.518 121.223 0.014 0.000 2.610 161 L HA 0.196 4.536 4.340 -0.001 0.000 0.232 161 L C 2.698 179.596 176.870 0.047 0.000 1.149 161 L CA 0.334 55.195 54.840 0.034 0.000 0.872 161 L CB -0.985 41.058 42.059 -0.027 0.000 0.992 161 L HN 0.486 nan 8.230 nan 0.000 0.447 162 G N 0.527 109.352 108.800 0.042 0.000 2.556 162 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.220 162 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.220 162 G C 1.729 176.654 174.900 0.041 0.000 1.156 162 G CA 0.649 45.768 45.100 0.032 0.000 0.766 162 G HN 0.165 nan 8.290 nan 0.000 0.583 163 K N 0.124 120.563 120.400 0.065 0.000 2.044 163 K HA -0.079 4.240 4.320 -0.001 0.000 0.210 163 K C 2.730 179.383 176.600 0.089 0.000 1.049 163 K CA 1.230 57.572 56.287 0.090 0.000 0.927 163 K CB -0.984 31.584 32.500 0.112 0.000 0.713 163 K HN 0.317 nan 8.250 nan 0.000 0.443 164 V N 1.052 120.959 119.914 -0.012 0.000 2.343 164 V HA -0.196 3.924 4.120 -0.001 0.000 0.247 164 V C 2.547 178.616 176.094 -0.041 0.000 1.051 164 V CA 1.381 63.568 62.300 -0.189 0.000 1.036 164 V CB -0.492 31.053 31.823 -0.463 0.000 0.654 164 V HN -0.021 nan 8.190 nan 0.000 0.451 165 V N 0.014 119.914 119.914 -0.023 0.000 2.332 165 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 165 V C 2.467 178.571 176.094 0.017 0.000 1.055 165 V CA 2.428 64.724 62.300 -0.005 0.000 1.038 165 V CB -0.593 31.232 31.823 0.004 0.000 0.651 165 V HN 0.658 nan 8.190 nan 0.000 0.450 166 E N -0.085 120.136 120.200 0.035 0.000 2.077 166 E HA -0.289 4.061 4.350 -0.001 0.000 0.193 166 E C 2.219 178.856 176.600 0.062 0.000 0.989 166 E CA 1.435 57.861 56.400 0.042 0.000 0.800 166 E CB -0.038 29.690 29.700 0.046 0.000 0.746 166 E HN 0.571 nan 8.360 nan 0.000 0.452 167 E N 0.466 120.734 120.200 0.112 0.000 2.118 167 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 167 E C 1.942 178.622 176.600 0.134 0.000 0.992 167 E CA 0.792 57.296 56.400 0.174 0.000 0.804 167 E CB -0.300 29.606 29.700 0.343 0.000 0.741 167 E HN 0.268 nan 8.360 nan 0.000 0.458 168 L N 0.908 122.188 121.223 0.095 0.000 2.017 168 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 168 L C 1.813 178.691 176.870 0.013 0.000 1.073 168 L CA 1.954 56.823 54.840 0.048 0.000 0.745 168 L CB -0.408 41.649 42.059 -0.003 0.000 0.894 168 L HN -0.012 nan 8.230 nan 0.000 0.432 169 K N -0.919 119.485 120.400 0.007 0.000 2.152 169 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 169 K C 2.250 178.842 176.600 -0.013 0.000 1.048 169 K CA 1.289 57.573 56.287 -0.006 0.000 0.933 169 K CB -0.185 32.313 32.500 -0.003 0.000 0.721 169 K HN 0.277 nan 8.250 nan 0.000 0.447 170 R N 0.455 120.949 120.500 -0.009 0.000 2.246 170 R HA -0.030 4.309 4.340 -0.001 0.000 0.199 170 R C 1.366 177.619 176.300 -0.079 0.000 0.984 170 R CA 1.322 57.402 56.100 -0.034 0.000 1.015 170 R CB 0.350 30.636 30.300 -0.023 0.000 0.930 170 R HN 0.366 nan 8.270 nan 0.000 0.475 171 T N -2.331 112.181 114.554 -0.071 0.000 1.832 171 T HA 0.242 4.592 4.350 -0.001 0.000 0.171 171 T C -0.458 174.216 174.700 -0.045 0.000 0.718 171 T CA -0.376 61.648 62.100 -0.126 0.000 0.980 171 T CB 0.260 68.958 68.868 -0.284 0.000 3.173 171 T HN 0.244 nan 8.240 nan 0.000 0.399 172 N N -1.700 117.011 118.700 0.018 0.000 3.116 172 N HA 0.379 5.119 4.740 -0.001 0.000 0.244 172 N C 0.364 175.903 175.510 0.048 0.000 1.485 172 N CA -0.407 52.657 53.050 0.023 0.000 0.884 172 N CB 0.556 39.052 38.487 0.015 0.000 1.415 172 N HN 0.472 nan 8.380 nan 0.000 0.524 173 c N -0.592 117.998 118.600 -0.016 0.000 2.413 173 c HA -0.119 4.451 4.570 -0.001 0.000 0.276 173 c C 2.861 176.933 174.090 -0.030 0.000 1.236 173 c CA 1.829 58.117 56.329 -0.070 0.000 1.735 173 c CB -1.234 41.196 42.510 -0.134 0.000 2.031 173 c HN 0.877 nan 8.230 nan 0.000 0.474 174 S N -0.861 114.843 115.700 0.008 0.000 2.383 174 S HA -0.255 4.214 4.470 -0.001 0.000 0.229 174 S C 1.786 176.424 174.600 0.063 0.000 1.030 174 S CA 1.892 60.109 58.200 0.028 0.000 1.002 174 S CB -0.595 62.632 63.200 0.045 0.000 0.829 174 S HN 0.689 nan 8.310 nan 0.000 0.467 175 Y N 2.694 122.988 120.300 -0.010 0.000 2.163 175 Y HA -0.004 4.545 4.550 -0.001 0.000 0.288 175 Y C 2.053 177.962 175.900 0.014 0.000 1.136 175 Y CA 1.916 60.017 58.100 0.001 0.000 1.147 175 Y CB -0.415 38.048 38.460 0.005 0.000 0.987 175 Y HN 0.485 nan 8.280 nan 0.000 0.509 176 I N -2.684 117.969 120.570 0.138 0.000 2.439 176 I HA -0.137 4.033 4.170 -0.001 0.000 0.251 176 I C 1.771 177.959 176.117 0.117 0.000 1.139 176 I CA 1.030 62.436 61.300 0.177 0.000 1.438 176 I CB -0.566 37.603 38.000 0.281 0.000 1.085 176 I HN 0.157 nan 8.210 nan 0.000 0.427 177 L N 1.854 123.078 121.223 0.002 0.000 2.056 177 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 177 L C 2.373 179.219 176.870 -0.040 0.000 1.078 177 L CA 1.903 56.721 54.840 -0.038 0.000 0.749 177 L CB -1.455 40.551 42.059 -0.088 0.000 0.901 177 L HN 0.427 nan 8.230 nan 0.000 0.433 178 N N -0.532 118.116 118.700 -0.085 0.000 2.135 178 N HA -0.210 4.530 4.740 -0.001 0.000 0.186 178 N C 1.925 177.311 175.510 -0.208 0.000 1.027 178 N CA 1.303 54.283 53.050 -0.116 0.000 0.849 178 N CB -0.027 38.380 38.487 -0.133 0.000 1.002 178 N HN 0.231 nan 8.380 nan 0.000 0.425 179 K N -0.860 119.324 120.400 -0.360 0.000 2.026 179 K HA -0.150 4.170 4.320 -0.001 0.000 0.208 179 K C 1.083 177.469 176.600 -0.356 0.000 1.048 179 K CA 1.295 57.298 56.287 -0.473 0.000 0.929 179 K CB -0.245 31.793 32.500 -0.769 0.000 0.713 179 K HN 0.280 nan 8.250 nan 0.000 0.439 180 Y N 0.671 120.993 120.300 0.037 0.000 2.578 180 Y HA -0.042 4.508 4.550 -0.001 0.000 0.297 180 Y C 1.447 177.464 175.900 0.195 0.000 1.176 180 Y CA 0.754 58.951 58.100 0.162 0.000 1.315 180 Y CB -0.092 38.441 38.460 0.123 0.000 1.031 180 Y HN 0.296 nan 8.280 nan 0.000 0.524 181 D N -0.646 119.827 120.400 0.121 0.000 2.348 181 D HA -0.097 4.543 4.640 -0.001 0.000 0.211 181 D C 1.947 178.184 176.300 -0.105 0.000 0.998 181 D CA 1.242 55.309 54.000 0.112 0.000 0.873 181 D CB 0.008 40.873 40.800 0.109 0.000 0.925 181 D HN 0.266 nan 8.370 nan 0.000 0.524 182 T N -2.740 111.661 114.554 -0.256 0.000 3.129 182 T HA 0.073 4.422 4.350 -0.001 0.000 0.251 182 T C 0.227 174.788 174.700 -0.233 0.000 1.117 182 T CA -0.098 61.599 62.100 -0.671 0.000 1.034 182 T CB -0.384 68.083 68.868 -0.668 0.000 0.968 182 T HN -0.062 nan 8.240 nan 0.000 0.526 183 Y N 2.095 122.390 120.300 -0.008 0.000 2.487 183 Y HA 0.586 5.136 4.550 -0.001 0.000 0.337 183 Y C 0.762 176.784 175.900 0.203 0.000 1.076 183 Y CA -1.286 56.885 58.100 0.119 0.000 1.115 183 Y CB 1.873 40.450 38.460 0.195 0.000 1.235 183 Y HN 0.187 nan 8.280 nan 0.000 0.468 184 S N -0.918 114.992 115.700 0.349 0.000 2.672 184 S HA 0.245 4.714 4.470 -0.001 0.000 0.276 184 S C 0.748 175.552 174.600 0.339 0.000 1.207 184 S CA -0.421 57.976 58.200 0.329 0.000 1.002 184 S CB 1.410 64.771 63.200 0.268 0.000 0.998 184 S HN 0.697 nan 8.310 nan 0.000 0.542 185 T N 1.283 116.071 114.554 0.389 0.000 2.684 185 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 185 T C 1.704 176.512 174.700 0.180 0.000 1.036 185 T CA 1.826 64.182 62.100 0.426 0.000 1.148 185 T CB -0.438 68.788 68.868 0.597 0.000 0.863 185 T HN 0.758 nan 8.240 nan 0.000 0.436 186 K N 0.907 121.345 120.400 0.063 0.000 2.097 186 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 186 K C 2.375 178.891 176.600 -0.141 0.000 1.049 186 K CA 1.495 57.585 56.287 -0.328 0.000 0.933 186 K CB -0.089 32.100 32.500 -0.519 0.000 0.717 186 K HN 0.427 nan 8.250 nan 0.000 0.442 187 E N -0.513 119.692 120.200 0.009 0.000 2.118 187 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 187 E C 1.876 178.514 176.600 0.063 0.000 0.992 187 E CA 1.274 57.715 56.400 0.067 0.000 0.804 187 E CB -0.225 29.573 29.700 0.164 0.000 0.741 187 E HN 0.461 nan 8.360 nan 0.000 0.458 188 Y N 1.113 121.340 120.300 -0.120 0.000 2.133 188 Y HA -0.171 4.378 4.550 -0.001 0.000 0.287 188 Y C 1.985 177.668 175.900 -0.362 0.000 1.134 188 Y CA 1.687 59.544 58.100 -0.406 0.000 1.133 188 Y CB -0.294 37.494 38.460 -1.119 0.000 0.987 188 Y HN 0.004 nan 8.280 nan 0.000 0.502 189 L N -0.230 120.813 121.223 -0.300 0.000 2.043 189 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 189 L C 2.361 179.063 176.870 -0.279 0.000 1.075 189 L CA 1.703 56.388 54.840 -0.257 0.000 0.752 189 L CB -0.578 41.434 42.059 -0.078 0.000 0.891 189 L HN 0.340 nan 8.230 nan 0.000 0.432 190 I N -0.660 119.776 120.570 -0.223 0.000 2.270 190 I HA -0.208 3.962 4.170 -0.001 0.000 0.239 190 I C 2.506 178.521 176.117 -0.170 0.000 1.080 190 I CA 1.144 62.345 61.300 -0.164 0.000 1.383 190 I CB -0.201 37.729 38.000 -0.116 0.000 1.097 190 I HN 0.127 nan 8.210 nan 0.000 0.420 191 K N 0.317 120.624 120.400 -0.156 0.000 2.103 191 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 191 K C 1.873 178.357 176.600 -0.194 0.000 1.052 191 K CA 1.038 57.260 56.287 -0.108 0.000 0.945 191 K CB 0.100 32.615 32.500 0.025 0.000 0.722 191 K HN 0.243 nan 8.250 nan 0.000 0.443 192 E N -0.734 119.203 120.200 -0.438 0.000 2.290 192 E HA 0.027 4.377 4.350 -0.001 0.000 0.199 192 E C 2.046 178.312 176.600 -0.557 0.000 0.912 192 E CA 0.623 56.696 56.400 -0.546 0.000 0.924 192 E CB -0.006 29.172 29.700 -0.871 0.000 0.901 192 E HN 0.329 nan 8.360 nan 0.000 0.487 193 G N 1.039 109.412 108.800 -0.712 0.000 2.572 193 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.216 193 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.216 193 G C 0.810 175.576 174.900 -0.223 0.000 1.133 193 G CA 0.878 45.736 45.100 -0.403 0.000 0.791 193 G HN 0.381 nan 8.290 nan 0.000 0.538 194 D N -0.911 119.359 120.400 -0.217 0.000 2.751 194 D HA -0.168 4.471 4.640 -0.001 0.000 0.233 194 D C 0.632 176.876 176.300 -0.093 0.000 1.149 194 D CA 1.092 55.013 54.000 -0.131 0.000 0.682 194 D CB -2.148 38.592 40.800 -0.100 0.000 1.068 194 D HN 0.470 nan 8.370 nan 0.000 0.429 195 L N 0.350 121.514 121.223 -0.099 0.000 2.452 195 L HA 0.495 4.835 4.340 -0.001 0.000 0.267 195 L C 1.761 178.605 176.870 -0.043 0.000 1.188 195 L CA 0.002 54.807 54.840 -0.058 0.000 0.821 195 L CB 1.393 43.425 42.059 -0.045 0.000 1.102 195 L HN 0.573 nan 8.230 nan 0.000 0.470 196 S N 1.344 117.032 115.700 -0.020 0.000 2.593 196 S HA 0.195 4.664 4.470 -0.001 0.000 0.269 196 S C -1.902 172.698 174.600 0.000 0.000 1.334 196 S CA -1.082 57.113 58.200 -0.008 0.000 1.015 196 S CB 0.934 64.138 63.200 0.007 0.000 0.912 196 S HN 0.415 nan 8.310 nan 0.000 0.541 197 P HA 0.012 nan 4.420 nan 0.000 0.218 197 P C 1.647 178.981 177.300 0.057 0.000 1.148 197 P CA 1.538 64.649 63.100 0.019 0.000 0.822 197 P CB -0.409 31.303 31.700 0.020 0.000 0.784 198 G N -0.086 108.757 108.800 0.071 0.000 2.408 198 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.217 198 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.217 198 G C 1.618 176.574 174.900 0.094 0.000 1.150 198 G CA 0.793 45.973 45.100 0.134 0.000 0.776 198 G HN 0.305 nan 8.290 nan 0.000 0.542 199 A N 0.157 122.999 122.820 0.036 0.000 1.930 199 A HA 0.131 4.450 4.320 -0.001 0.000 0.217 199 A C 2.560 180.148 177.584 0.006 0.000 1.175 199 A CA 1.652 53.685 52.037 -0.007 0.000 0.627 199 A CB -0.486 18.517 19.000 0.004 0.000 0.815 199 A HN 0.233 nan 8.150 nan 0.000 0.443 200 V N 0.488 120.424 119.914 0.037 0.000 2.427 200 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 200 V C 2.122 178.316 176.094 0.167 0.000 1.051 200 V CA 2.198 64.547 62.300 0.081 0.000 1.048 200 V CB -0.751 31.057 31.823 -0.025 0.000 0.666 200 V HN 0.464 nan 8.190 nan 0.000 0.456 201 D N -0.540 119.937 120.400 0.129 0.000 2.117 201 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 201 D C 2.058 178.381 176.300 0.038 0.000 0.987 201 D CA 1.403 55.517 54.000 0.189 0.000 0.829 201 D CB -0.221 40.746 40.800 0.278 0.000 0.961 201 D HN 0.341 nan 8.370 nan 0.000 0.460 202 M N 0.013 119.415 119.600 -0.329 0.000 2.132 202 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 202 M C 2.043 178.176 176.300 -0.278 0.000 1.065 202 M CA 1.184 55.980 55.300 -0.840 0.000 1.122 202 M CB 0.009 32.021 32.600 -0.980 0.000 1.365 202 M HN -0.046 nan 8.290 nan 0.000 0.411 203 I N -0.227 120.302 120.570 -0.069 0.000 2.179 203 I HA -0.214 3.955 4.170 -0.001 0.000 0.242 203 I C 2.493 178.622 176.117 0.021 0.000 1.088 203 I CA 1.457 62.787 61.300 0.049 0.000 1.357 203 I CB -0.932 37.199 38.000 0.218 0.000 1.051 203 I HN 0.442 nan 8.210 nan 0.000 0.409 204 G N 0.305 109.149 108.800 0.074 0.000 2.418 204 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 204 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 204 G C 1.222 176.091 174.900 -0.052 0.000 1.158 204 G CA 0.932 45.943 45.100 -0.150 0.000 0.771 204 G HN 0.277 nan 8.290 nan 0.000 0.545 205 D N 0.485 120.909 120.400 0.041 0.000 2.084 205 D HA -0.037 4.602 4.640 -0.001 0.000 0.196 205 D C 2.633 179.015 176.300 0.135 0.000 0.985 205 D CA 0.679 54.734 54.000 0.090 0.000 0.826 205 D CB -0.277 40.631 40.800 0.179 0.000 0.978 205 D HN 0.326 nan 8.370 nan 0.000 0.456 206 L N -0.319 120.976 121.223 0.119 0.000 2.375 206 L HA 0.125 4.464 4.340 -0.001 0.000 0.215 206 L C 1.740 178.738 176.870 0.214 0.000 1.108 206 L CA 0.356 55.331 54.840 0.226 0.000 0.830 206 L CB 0.028 42.193 42.059 0.177 0.000 0.959 206 L HN -0.034 nan 8.230 nan 0.000 0.457 207 L N -0.437 120.825 121.223 0.065 0.000 2.700 207 L HA 0.162 4.502 4.340 -0.001 0.000 0.234 207 L C 0.422 177.178 176.870 -0.190 0.000 1.156 207 L CA 0.012 54.814 54.840 -0.064 0.000 0.946 207 L CB -0.331 41.644 42.059 -0.140 0.000 1.216 207 L HN 0.415 nan 8.230 nan 0.000 0.493 208 N N 0.904 119.575 118.700 -0.050 0.000 2.754 208 N HA -0.192 4.548 4.740 -0.001 0.000 0.248 208 N C 0.840 176.162 175.510 -0.314 0.000 1.093 208 N CA 0.227 53.186 53.050 -0.151 0.000 0.699 208 N CB -0.029 38.150 38.487 -0.513 0.000 1.016 208 N HN 0.332 nan 8.380 nan 0.000 0.552 209 E N -0.057 119.926 120.200 -0.362 0.000 2.415 209 E HA -0.041 4.308 4.350 -0.001 0.000 0.197 209 E C 1.102 177.191 176.600 -0.851 0.000 1.007 209 E CA 0.243 56.306 56.400 -0.561 0.000 0.890 209 E CB 0.007 29.387 29.700 -0.534 0.000 0.891 209 E HN 0.496 nan 8.360 nan 0.000 0.496 210 D N 0.824 120.848 120.400 -0.626 0.000 2.126 210 D HA -0.141 4.499 4.640 -0.001 0.000 0.190 210 D C 1.546 177.719 176.300 -0.211 0.000 1.001 210 D CA 1.694 55.435 54.000 -0.433 0.000 0.841 210 D CB 0.139 40.876 40.800 -0.105 0.000 0.949 210 D HN -0.090 nan 8.370 nan 0.000 0.446 211 S N -1.365 114.247 115.700 -0.146 0.000 2.603 211 S HA 0.116 4.585 4.470 -0.001 0.000 0.229 211 S C 1.465 175.955 174.600 -0.183 0.000 0.972 211 S CA 0.656 58.820 58.200 -0.060 0.000 0.935 211 S CB 0.532 63.722 63.200 -0.016 0.000 0.769 211 S HN 0.426 nan 8.310 nan 0.000 0.536 212 G N -1.061 107.575 108.800 -0.273 0.000 3.519 212 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 212 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 212 G C 0.448 175.241 174.900 -0.178 0.000 1.028 212 G CA -0.239 44.676 45.100 -0.307 0.000 0.809 212 G HN 0.343 nan 8.290 nan 0.000 0.521 213 Y N 0.854 121.080 120.300 -0.125 0.000 2.483 213 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 213 Y C 2.051 178.004 175.900 0.089 0.000 1.143 213 Y CA -0.006 58.108 58.100 0.025 0.000 1.289 213 Y CB -0.169 38.346 38.460 0.093 0.000 0.983 213 Y HN 0.608 nan 8.280 nan 0.000 0.556 214 Y N -1.899 118.564 120.300 0.271 0.000 2.458 214 Y HA 0.419 4.969 4.550 -0.001 0.000 0.256 214 Y C 0.650 176.659 175.900 0.181 0.000 1.159 214 Y CA -1.156 57.059 58.100 0.191 0.000 1.261 214 Y CB -1.174 37.365 38.460 0.131 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.157 118.778 119.914 0.035 0.000 3.295 215 V HA 0.401 4.520 4.120 -0.001 0.000 0.308 215 V C 0.777 177.038 176.094 0.280 0.000 1.068 215 V CA -0.850 61.547 62.300 0.162 0.000 1.062 215 V CB 1.092 32.965 31.823 0.083 0.000 1.162 215 V HN 0.273 nan 8.190 nan 0.000 0.456 216 S N 0.500 116.404 115.700 0.340 0.000 2.575 216 S HA 0.023 4.493 4.470 -0.001 0.000 0.295 216 S C 0.522 175.365 174.600 0.405 0.000 1.267 216 S CA -0.097 58.346 58.200 0.404 0.000 1.074 216 S CB -0.637 62.888 63.200 0.541 0.000 0.829 216 S HN 0.858 nan 8.310 nan 0.000 0.497 217 F N 6.344 126.437 119.950 0.239 0.000 2.307 217 F HA -0.081 4.445 4.527 -0.001 0.000 0.301 217 F C 1.544 177.409 175.800 0.108 0.000 1.076 217 F CA 1.047 59.148 58.000 0.168 0.000 1.383 217 F CB -0.273 38.813 39.000 0.143 0.000 1.055 217 F HN 0.660 nan 8.300 nan 0.000 0.526 218 I N 0.298 120.891 120.570 0.038 0.000 2.264 218 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 218 I C 2.294 178.312 176.117 -0.165 0.000 1.111 218 I CA 1.188 62.383 61.300 -0.176 0.000 1.382 218 I CB -1.300 36.496 38.000 -0.340 0.000 1.060 218 I HN 0.171 nan 8.210 nan 0.000 0.418 219 E N 0.253 120.515 120.200 0.104 0.000 2.077 219 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 219 E C 2.328 178.918 176.600 -0.017 0.000 0.989 219 E CA 1.408 57.884 56.400 0.127 0.000 0.800 219 E CB -0.239 29.598 29.700 0.227 0.000 0.746 219 E HN 0.360 nan 8.360 nan 0.000 0.452 220 S N 0.389 116.052 115.700 -0.061 0.000 2.368 220 S HA -0.065 4.405 4.470 -0.001 0.000 0.224 220 S C 2.125 176.620 174.600 -0.176 0.000 1.029 220 S CA 0.587 58.742 58.200 -0.074 0.000 0.988 220 S CB -0.124 63.148 63.200 0.119 0.000 0.838 220 S HN 0.151 nan 8.310 nan 0.000 0.462 221 L N 0.750 121.688 121.223 -0.475 0.000 2.083 221 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 221 L C 2.626 179.071 176.870 -0.708 0.000 1.083 221 L CA 1.359 55.880 54.840 -0.531 0.000 0.752 221 L CB -0.419 41.295 42.059 -0.574 0.000 0.899 221 L HN 0.282 nan 8.230 nan 0.000 0.433 222 K N -1.271 118.704 120.400 -0.708 0.000 2.097 222 K HA -0.194 4.126 4.320 -0.001 0.000 0.205 222 K C 2.194 178.661 176.600 -0.223 0.000 1.050 222 K CA 0.906 56.788 56.287 -0.675 0.000 0.938 222 K CB -0.231 32.048 32.500 -0.369 0.000 0.718 222 K HN 0.336 nan 8.250 nan 0.000 0.442 223 H N 1.196 120.181 119.070 -0.141 0.000 2.357 223 H HA -0.131 4.424 4.556 -0.001 0.000 0.301 223 H C 1.606 176.963 175.328 0.049 0.000 1.082 223 H CA 1.927 57.989 56.048 0.023 0.000 1.342 223 H CB 0.161 29.855 29.762 -0.114 0.000 1.389 223 H HN 0.232 nan 8.280 nan 0.000 0.511 224 D N 0.066 120.522 120.400 0.093 0.000 2.117 224 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 224 D C 1.957 178.369 176.300 0.187 0.000 0.987 224 D CA 1.517 55.600 54.000 0.139 0.000 0.829 224 D CB -0.352 40.593 40.800 0.241 0.000 0.961 224 D HN 0.364 nan 8.370 nan 0.000 0.460 225 D N -0.903 119.507 120.400 0.016 0.000 2.190 225 D HA -0.159 4.481 4.640 -0.001 0.000 0.200 225 D C 1.893 178.233 176.300 0.066 0.000 0.992 225 D CA 1.186 55.191 54.000 0.009 0.000 0.854 225 D CB -0.046 40.598 40.800 -0.261 0.000 0.936 225 D HN 0.418 nan 8.370 nan 0.000 0.462 226 I N -1.247 119.326 120.570 0.005 0.000 2.499 226 I HA -0.089 4.080 4.170 -0.001 0.000 0.243 226 I C 1.620 177.735 176.117 -0.004 0.000 1.085 226 I CA 0.217 61.451 61.300 -0.110 0.000 1.422 226 I CB -0.278 37.552 38.000 -0.283 0.000 1.165 226 I HN -0.058 nan 8.210 nan 0.000 0.440 227 F N 1.362 121.266 119.950 -0.077 0.000 2.234 227 F HA -0.105 4.422 4.527 -0.001 0.000 0.299 227 F C 2.513 178.302 175.800 -0.019 0.000 1.087 227 F CA 1.246 59.242 58.000 -0.006 0.000 1.340 227 F CB -0.726 38.183 39.000 -0.153 0.000 1.031 227 F HN 0.011 nan 8.300 nan 0.000 0.500 228 A N -2.096 120.783 122.820 0.098 0.000 2.123 228 A HA -0.016 4.304 4.320 -0.001 0.000 0.214 228 A C 1.017 178.276 177.584 -0.542 0.000 1.152 228 A CA 0.844 52.750 52.037 -0.217 0.000 0.728 228 A CB -0.710 18.105 19.000 -0.309 0.000 0.814 228 A HN 0.464 nan 8.150 nan 0.000 0.464 229 Y N -1.282 119.028 120.300 0.016 0.000 2.527 229 Y HA 0.310 4.859 4.550 -0.001 0.000 0.247 229 Y C 0.406 176.259 175.900 -0.079 0.000 1.138 229 Y CA -0.623 57.462 58.100 -0.025 0.000 1.228 229 Y CB 0.523 38.962 38.460 -0.035 0.000 1.252 229 Y HN 0.233 nan 8.280 nan 0.000 0.531 230 E N 1.535 121.727 120.200 -0.013 0.000 2.167 230 E HA 0.232 4.582 4.350 -0.001 0.000 0.284 230 E C 0.323 176.884 176.600 -0.064 0.000 1.016 230 E CA -0.047 56.251 56.400 -0.169 0.000 0.817 230 E CB 0.852 30.245 29.700 -0.512 0.000 1.080 230 E HN 0.165 nan 8.360 nan 0.000 0.397 231 K N 3.291 123.646 120.400 -0.076 0.000 2.361 231 K HA 0.119 4.439 4.320 -0.001 0.000 0.196 231 K C 0.502 177.114 176.600 0.021 0.000 1.039 231 K CA 0.256 56.539 56.287 -0.006 0.000 1.001 231 K CB 0.386 32.878 32.500 -0.013 0.000 0.795 231 K HN 0.289 nan 8.250 nan 0.000 0.495 232 R N 0.224 120.676 120.500 -0.080 0.000 2.604 232 R HA 0.332 4.672 4.340 -0.001 0.000 0.281 232 R C -1.755 174.433 176.300 -0.186 0.000 1.020 232 R CA -0.495 55.595 56.100 -0.016 0.000 0.899 232 R CB 0.991 31.274 30.300 -0.028 0.000 1.205 232 R HN -0.208 nan 8.270 nan 0.000 0.450 233 F N 1.335 121.273 119.950 -0.020 0.000 2.577 233 F HA 0.529 5.056 4.527 -0.001 0.000 0.318 233 F C -0.143 175.707 175.800 0.084 0.000 1.065 233 F CA -0.485 57.503 58.000 -0.019 0.000 0.929 233 F CB 2.334 41.328 39.000 -0.010 0.000 1.237 233 F HN 0.346 nan 8.300 nan 0.000 0.468 234 D N 0.505 121.045 120.400 0.234 0.000 2.581 234 D HA 0.299 4.938 4.640 -0.001 0.000 0.232 234 D C -1.213 175.209 176.300 0.204 0.000 1.143 234 D CA -0.512 53.617 54.000 0.215 0.000 0.881 234 D CB 2.934 43.806 40.800 0.120 0.000 1.500 234 D HN 0.682 nan 8.370 nan 0.000 0.458 235 E N 0.272 120.612 120.200 0.234 0.000 2.263 235 E HA 0.579 4.929 4.350 -0.001 0.000 0.264 235 E C -0.606 176.083 176.600 0.147 0.000 0.923 235 E CA -0.827 55.696 56.400 0.204 0.000 0.802 235 E CB 1.893 31.790 29.700 0.329 0.000 1.228 235 E HN 0.290 nan 8.360 nan 0.000 0.417 236 I N 2.202 122.833 120.570 0.103 0.000 2.371 236 I HA 0.086 4.255 4.170 -0.001 0.000 0.290 236 I C -0.020 176.117 176.117 0.033 0.000 1.028 236 I CA -0.996 60.341 61.300 0.062 0.000 1.345 236 I CB 1.382 39.402 38.000 0.034 0.000 1.407 236 I HN 0.391 nan 8.210 nan 0.000 0.501 237 V N 6.973 126.912 119.914 0.042 0.000 2.617 237 V HA -0.097 4.022 4.120 -0.001 0.000 0.304 237 V C 0.608 176.683 176.094 -0.032 0.000 1.040 237 V CA 0.784 63.104 62.300 0.033 0.000 1.149 237 V CB 0.141 31.997 31.823 0.055 0.000 0.914 237 V HN 0.934 nan 8.190 nan 0.000 0.487 238 D N 2.138 122.508 120.400 -0.050 0.000 3.077 238 D HA -0.130 4.510 4.640 -0.001 0.000 0.212 238 D C 0.447 176.328 176.300 -0.697 0.000 1.125 238 D CA 1.689 55.570 54.000 -0.198 0.000 0.970 238 D CB -1.355 39.406 40.800 -0.065 0.000 1.110 238 D HN 1.623 nan 8.370 nan 0.000 0.419 239 G N -0.728 107.628 108.800 -0.741 0.000 2.841 239 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.684 239 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.684 239 G C 0.701 175.463 174.900 -0.230 0.000 1.273 239 G CA -0.030 44.665 45.100 -0.674 0.000 0.811 239 G HN -0.052 nan 8.290 nan 0.000 0.631 240 M N 1.421 120.963 119.600 -0.097 0.000 2.213 240 M HA -0.047 4.433 4.480 -0.001 0.000 0.263 240 M C 2.250 178.529 176.300 -0.035 0.000 1.062 240 M CA 2.215 57.502 55.300 -0.022 0.000 1.105 240 M CB -0.988 31.627 32.600 0.026 0.000 1.385 240 M HN 0.843 nan 8.290 nan 0.000 0.417 241 D N -0.222 120.144 120.400 -0.056 0.000 2.392 241 D HA -0.135 4.505 4.640 -0.001 0.000 0.228 241 D C 1.414 177.673 176.300 -0.068 0.000 1.003 241 D CA 0.662 54.631 54.000 -0.051 0.000 0.917 241 D CB -0.328 40.443 40.800 -0.049 0.000 0.890 241 D HN 0.132 nan 8.370 nan 0.000 0.532 242 K N 0.010 120.363 120.400 -0.079 0.000 2.147 242 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 242 K C 1.929 178.489 176.600 -0.068 0.000 1.049 242 K CA 0.303 56.547 56.287 -0.072 0.000 0.936 242 K CB -0.452 32.011 32.500 -0.062 0.000 0.722 242 K HN 0.275 nan 8.250 nan 0.000 0.446 243 L N 2.256 123.454 121.223 -0.042 0.000 1.988 243 L HA -0.080 4.260 4.340 -0.001 0.000 0.207 243 L C -1.071 175.720 176.870 -0.132 0.000 1.071 243 L CA 1.901 56.719 54.840 -0.037 0.000 0.744 243 L CB -1.396 40.679 42.059 0.027 0.000 0.893 243 L HN 0.043 nan 8.230 nan 0.000 0.433 244 P HA -0.127 nan 4.420 nan 0.000 0.218 244 P C 1.447 178.705 177.300 -0.070 0.000 1.149 244 P CA 1.724 64.771 63.100 -0.089 0.000 0.817 244 P CB -0.216 31.456 31.700 -0.047 0.000 0.785 245 T N 0.254 114.771 114.554 -0.060 0.000 2.746 245 T HA -0.067 4.282 4.350 -0.001 0.000 0.267 245 T C 2.091 176.756 174.700 -0.057 0.000 1.039 245 T CA 1.757 63.867 62.100 0.016 0.000 1.142 245 T CB -0.758 68.101 68.868 -0.015 0.000 0.866 245 T HN 0.094 nan 8.240 nan 0.000 0.444 246 A N 1.119 123.783 122.820 -0.260 0.000 1.898 246 A HA -0.005 4.315 4.320 -0.001 0.000 0.216 246 A C 2.305 179.389 177.584 -0.833 0.000 1.181 246 A CA 1.627 53.357 52.037 -0.512 0.000 0.620 246 A CB -0.673 17.948 19.000 -0.631 0.000 0.819 246 A HN 0.492 nan 8.150 nan 0.000 0.442 247 M N -1.780 117.278 119.600 -0.903 0.000 2.132 247 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 247 M C 2.133 178.324 176.300 -0.182 0.000 1.065 247 M CA 2.143 57.030 55.300 -0.689 0.000 1.122 247 M CB -0.299 32.030 32.600 -0.451 0.000 1.365 247 M HN 0.605 nan 8.290 nan 0.000 0.411 248 Y N 0.918 121.106 120.300 -0.188 0.000 2.145 248 Y HA -0.202 4.348 4.550 -0.001 0.000 0.286 248 Y C 2.071 177.956 175.900 -0.026 0.000 1.145 248 Y CA 1.826 59.891 58.100 -0.058 0.000 1.148 248 Y CB -0.579 37.883 38.460 0.004 0.000 0.981 248 Y HN 0.155 nan 8.280 nan 0.000 0.507 249 R N 0.287 120.486 120.500 -0.501 0.000 2.159 249 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 249 R C 2.005 178.128 176.300 -0.296 0.000 1.131 249 R CA 1.401 57.185 56.100 -0.528 0.000 0.982 249 R CB -0.529 29.627 30.300 -0.239 0.000 0.868 249 R HN 0.510 nan 8.270 nan 0.000 0.453 250 D N 1.177 121.490 120.400 -0.145 0.000 2.219 250 D HA -0.101 4.538 4.640 -0.001 0.000 0.205 250 D C 1.246 177.542 176.300 -0.007 0.000 0.970 250 D CA 0.998 55.017 54.000 0.032 0.000 0.851 250 D CB 0.286 41.276 40.800 0.317 0.000 0.943 250 D HN 0.355 nan 8.370 nan 0.000 0.488 251 I N -1.844 118.687 120.570 -0.064 0.000 3.658 251 I HA 0.221 4.390 4.170 -0.001 0.000 0.328 251 I C 1.548 177.583 176.117 -0.137 0.000 1.567 251 I CA -0.513 60.748 61.300 -0.064 0.000 1.078 251 I CB 0.416 38.418 38.000 0.002 0.000 1.267 251 I HN -0.232 nan 8.210 nan 0.000 0.495 252 Q N 2.537 122.163 119.800 -0.290 0.000 2.082 252 Q HA -0.254 4.086 4.340 -0.001 0.000 0.211 252 Q C 1.176 177.127 176.000 -0.080 0.000 1.002 252 Q CA 2.921 58.503 55.803 -0.368 0.000 0.868 252 Q CB 0.042 28.532 28.738 -0.415 0.000 0.931 252 Q HN 0.703 nan 8.270 nan 0.000 0.414 253 D N -0.416 119.952 120.400 -0.053 0.000 2.378 253 D HA -0.109 4.531 4.640 -0.001 0.000 0.222 253 D C 0.711 177.013 176.300 0.003 0.000 0.980 253 D CA 0.904 54.908 54.000 0.006 0.000 0.907 253 D CB -0.043 40.759 40.800 0.003 0.000 0.899 253 D HN 0.362 nan 8.370 nan 0.000 0.527 254 K N 0.107 120.476 120.400 -0.052 0.000 2.358 254 K HA 0.190 4.510 4.320 -0.001 0.000 0.200 254 K C -0.086 176.364 176.600 -0.249 0.000 1.030 254 K CA -0.062 56.149 56.287 -0.126 0.000 1.097 254 K CB 1.690 34.136 32.500 -0.091 0.000 0.862 254 K HN -0.066 nan 8.250 nan 0.000 0.534 255 V N 1.861 121.677 119.914 -0.162 0.000 2.398 255 V HA 0.203 4.323 4.120 -0.001 0.000 0.286 255 V C -0.544 175.392 176.094 -0.262 0.000 1.026 255 V CA -0.790 61.345 62.300 -0.276 0.000 0.868 255 V CB 1.020 32.744 31.823 -0.166 0.000 0.982 255 V HN 0.233 nan 8.190 nan 0.000 0.443 256 H N 4.378 123.197 119.070 -0.418 0.000 2.511 256 H HA 0.507 5.063 4.556 -0.001 0.000 0.328 256 H C -0.954 174.101 175.328 -0.455 0.000 1.044 256 H CA -0.597 55.244 56.048 -0.345 0.000 1.212 256 H CB 1.343 30.944 29.762 -0.269 0.000 1.428 256 H HN 0.490 nan 8.280 nan 0.000 0.483 257 F N 1.270 121.241 119.950 0.034 0.000 2.380 257 F HA 0.127 4.654 4.527 -0.001 0.000 0.319 257 F C 1.188 176.970 175.800 -0.030 0.000 1.113 257 F CA -0.885 57.087 58.000 -0.046 0.000 1.056 257 F CB 0.537 39.493 39.000 -0.072 0.000 1.289 257 F HN 0.630 nan 8.300 nan 0.000 0.515 258 N N -0.178 118.628 118.700 0.177 0.000 2.725 258 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 258 N C -0.813 174.757 175.510 0.101 0.000 1.103 258 N CA 0.798 53.915 53.050 0.112 0.000 0.707 258 N CB -1.223 37.332 38.487 0.113 0.000 1.043 258 N HN 0.596 nan 8.380 nan 0.000 0.553 259 A N 0.723 123.568 122.820 0.041 0.000 2.536 259 A HA 0.365 4.685 4.320 -0.001 0.000 0.329 259 A C 0.190 177.781 177.584 0.012 0.000 1.321 259 A CA -0.486 51.570 52.037 0.032 0.000 0.804 259 A CB 0.726 19.558 19.000 -0.280 0.000 1.126 259 A HN 0.241 nan 8.150 nan 0.000 0.480 260 Q N 2.494 122.363 119.800 0.116 0.000 2.349 260 Q HA 0.449 4.788 4.340 -0.001 0.000 0.254 260 Q C -0.749 175.330 176.000 0.132 0.000 0.980 260 Q CA -0.331 55.529 55.803 0.095 0.000 0.924 260 Q CB 0.922 29.739 28.738 0.131 0.000 1.209 260 Q HN 0.495 nan 8.270 nan 0.000 0.445 261 V N 6.895 126.859 119.914 0.083 0.000 2.599 261 V HA -0.053 4.067 4.120 -0.001 0.000 0.300 261 V C 1.088 177.206 176.094 0.041 0.000 1.034 261 V CA 0.816 63.165 62.300 0.082 0.000 1.115 261 V CB 0.403 32.234 31.823 0.014 0.000 0.934 261 V HN 0.851 nan 8.190 nan 0.000 0.485 262 I N 0.967 121.549 120.570 0.021 0.000 4.403 262 I HA 0.464 4.634 4.170 -0.001 0.000 0.331 262 I C 0.445 176.515 176.117 -0.078 0.000 1.327 262 I CA 0.026 61.318 61.300 -0.014 0.000 1.175 262 I CB 0.303 38.308 38.000 0.007 0.000 1.165 262 I HN 0.396 nan 8.210 nan 0.000 0.413 263 K N 2.038 122.373 120.400 -0.108 0.000 2.523 263 K HA 0.698 5.018 4.320 -0.001 0.000 0.257 263 K C -1.412 175.061 176.600 -0.213 0.000 0.932 263 K CA -0.507 55.679 56.287 -0.167 0.000 0.812 263 K CB 3.341 35.785 32.500 -0.092 0.000 1.326 263 K HN 0.027 nan 8.250 nan 0.000 0.433 264 I N 3.156 123.528 120.570 -0.331 0.000 2.512 264 I HA 0.175 4.344 4.170 -0.001 0.000 0.287 264 I C -0.821 175.226 176.117 -0.116 0.000 1.069 264 I CA -0.692 60.452 61.300 -0.259 0.000 1.056 264 I CB 2.139 39.888 38.000 -0.419 0.000 1.229 264 I HN 0.581 nan 8.210 nan 0.000 0.429 265 Q N 6.453 126.235 119.800 -0.031 0.000 2.413 265 Q HA 0.746 5.085 4.340 -0.001 0.000 0.276 265 Q C -1.483 174.537 176.000 0.033 0.000 1.099 265 Q CA -1.037 54.779 55.803 0.021 0.000 0.814 265 Q CB 2.961 31.703 28.738 0.007 0.000 1.379 265 Q HN 0.643 nan 8.270 nan 0.000 0.436 266 Q N 0.796 120.626 119.800 0.050 0.000 2.418 266 Q HA 0.606 4.946 4.340 -0.001 0.000 0.282 266 Q C -1.585 174.432 176.000 0.028 0.000 1.044 266 Q CA -0.900 54.924 55.803 0.035 0.000 0.813 266 Q CB 1.760 30.530 28.738 0.053 0.000 1.428 266 Q HN 0.799 nan 8.270 nan 0.000 0.402 267 N N -0.272 118.435 118.700 0.012 0.000 3.167 267 N HA 0.304 5.044 4.740 -0.001 0.000 0.323 267 N C -0.459 175.053 175.510 0.004 0.000 1.478 267 N CA -0.638 52.419 53.050 0.011 0.000 0.753 267 N CB 0.404 38.895 38.487 0.006 0.000 1.721 267 N HN 0.528 nan 8.380 nan 0.000 0.618 268 D N -0.877 119.526 120.400 0.005 0.000 2.263 268 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 268 D C 0.739 177.032 176.300 -0.013 0.000 0.971 268 D CA 1.451 55.453 54.000 0.004 0.000 0.867 268 D CB 0.128 40.935 40.800 0.011 0.000 0.929 268 D HN 0.506 nan 8.370 nan 0.000 0.492 269 Q N -0.651 119.135 119.800 -0.022 0.000 2.394 269 Q HA 0.155 4.494 4.340 -0.001 0.000 0.218 269 Q C 0.441 176.395 176.000 -0.076 0.000 0.907 269 Q CA 0.599 56.378 55.803 -0.040 0.000 0.919 269 Q CB 0.827 29.552 28.738 -0.021 0.000 1.051 269 Q HN -0.048 nan 8.270 nan 0.000 0.538 270 K N -0.501 119.861 120.400 -0.064 0.000 2.466 270 K HA 0.639 4.959 4.320 -0.001 0.000 0.277 270 K C -1.138 175.426 176.600 -0.060 0.000 1.039 270 K CA -0.825 55.413 56.287 -0.081 0.000 0.904 270 K CB 1.778 34.251 32.500 -0.045 0.000 1.506 270 K HN -0.060 nan 8.250 nan 0.000 0.441 271 V N -2.160 117.717 119.914 -0.061 0.000 2.876 271 V HA 0.763 4.882 4.120 -0.001 0.000 0.312 271 V C -0.739 175.338 176.094 -0.029 0.000 1.085 271 V CA -0.444 61.836 62.300 -0.033 0.000 0.945 271 V CB 1.914 33.721 31.823 -0.028 0.000 1.017 271 V HN 0.685 nan 8.190 nan 0.000 0.428 272 T N 3.309 117.853 114.554 -0.017 0.000 2.809 272 T HA 0.667 5.016 4.350 -0.001 0.000 0.284 272 T C -0.582 174.108 174.700 -0.017 0.000 0.992 272 T CA -0.401 61.693 62.100 -0.011 0.000 0.957 272 T CB 1.473 70.337 68.868 -0.007 0.000 0.942 272 T HN 0.779 nan 8.240 nan 0.000 0.439 273 V N 3.888 123.803 119.914 0.002 0.000 2.417 273 V HA 0.517 4.636 4.120 -0.001 0.000 0.291 273 V C -0.145 175.991 176.094 0.070 0.000 1.024 273 V CA -0.784 61.526 62.300 0.016 0.000 0.861 273 V CB 1.715 33.553 31.823 0.024 0.000 0.985 273 V HN 0.696 nan 8.190 nan 0.000 0.436 274 V N 6.218 126.151 119.914 0.032 0.000 2.435 274 V HA 0.607 4.726 4.120 -0.001 0.000 0.290 274 V C -0.706 175.433 176.094 0.076 0.000 1.030 274 V CA -0.589 61.711 62.300 -0.000 0.000 0.881 274 V CB 1.352 33.144 31.823 -0.052 0.000 0.983 274 V HN 0.896 nan 8.190 nan 0.000 0.445 275 Y N 1.380 121.670 120.300 -0.016 0.000 2.553 275 Y HA 0.796 5.345 4.550 -0.001 0.000 0.347 275 Y C -0.379 175.523 175.900 0.003 0.000 1.019 275 Y CA -1.346 56.749 58.100 -0.007 0.000 1.032 275 Y CB 1.263 39.724 38.460 0.002 0.000 1.284 275 Y HN 0.594 nan 8.280 nan 0.000 0.466 276 E N 1.204 121.497 120.200 0.155 0.000 2.283 276 E HA 0.541 4.890 4.350 -0.001 0.000 0.267 276 E C -0.425 176.280 176.600 0.174 0.000 1.045 276 E CA -0.635 55.813 56.400 0.081 0.000 0.884 276 E CB 1.658 31.402 29.700 0.074 0.000 1.106 276 E HN 0.839 nan 8.360 nan 0.000 0.408 277 T N -2.294 112.320 114.554 0.100 0.000 2.724 277 T HA 0.331 4.680 4.350 -0.001 0.000 0.274 277 T C 0.900 175.645 174.700 0.076 0.000 0.984 277 T CA -0.831 61.340 62.100 0.119 0.000 1.024 277 T CB 0.213 69.136 68.868 0.092 0.000 1.320 277 T HN 0.345 nan 8.240 nan 0.000 0.555 278 L N 0.978 122.241 121.223 0.067 0.000 2.376 278 L HA 0.138 4.478 4.340 -0.001 0.000 0.219 278 L C 1.768 178.657 176.870 0.032 0.000 1.133 278 L CA 0.588 55.458 54.840 0.049 0.000 0.816 278 L CB -0.461 41.624 42.059 0.045 0.000 0.933 278 L HN 0.825 nan 8.230 nan 0.000 0.449 279 S N -1.261 114.454 115.700 0.024 0.000 2.677 279 S HA 0.221 4.690 4.470 -0.001 0.000 0.290 279 S C 0.854 175.456 174.600 0.004 0.000 1.124 279 S CA -0.723 57.483 58.200 0.011 0.000 1.017 279 S CB 1.030 64.233 63.200 0.004 0.000 1.215 279 S HN -0.018 nan 8.310 nan 0.000 0.524 280 K N 0.384 120.781 120.400 -0.005 0.000 2.459 280 K HA 0.120 4.440 4.320 -0.001 0.000 0.193 280 K C 0.546 177.130 176.600 -0.027 0.000 1.030 280 K CA 0.159 56.439 56.287 -0.012 0.000 1.026 280 K CB -0.092 32.401 32.500 -0.012 0.000 0.809 280 K HN 0.664 nan 8.250 nan 0.000 0.504 281 E N 2.081 122.262 120.200 -0.032 0.000 2.376 281 E HA -0.044 4.306 4.350 -0.001 0.000 0.266 281 E C -0.643 175.898 176.600 -0.098 0.000 1.009 281 E CA 0.313 56.678 56.400 -0.059 0.000 0.902 281 E CB 0.573 30.241 29.700 -0.054 0.000 0.972 281 E HN 0.003 nan 8.360 nan 0.000 0.439 282 T N 3.017 117.487 114.554 -0.141 0.000 3.241 282 T HA 0.400 4.750 4.350 -0.001 0.000 0.387 282 T C -2.526 171.977 174.700 -0.328 0.000 1.451 282 T CA -1.952 60.016 62.100 -0.220 0.000 1.363 282 T CB 0.985 69.772 68.868 -0.134 0.000 1.074 282 T HN 0.239 nan 8.240 nan 0.000 0.598 283 P HA 0.300 nan 4.420 nan 0.000 0.269 283 P C -0.351 176.672 177.300 -0.461 0.000 1.217 283 P CA -0.193 62.602 63.100 -0.508 0.000 0.783 283 P CB 0.555 31.885 31.700 -0.617 0.000 0.898 284 S N 0.594 116.183 115.700 -0.186 0.000 2.532 284 S HA 0.581 5.050 4.470 -0.001 0.000 0.299 284 S C -1.324 173.304 174.600 0.046 0.000 1.105 284 S CA -0.712 57.451 58.200 -0.062 0.000 1.018 284 S CB 0.738 63.910 63.200 -0.048 0.000 1.021 284 S HN 0.245 nan 8.310 nan 0.000 0.483 285 V N 4.864 124.844 119.914 0.108 0.000 2.588 285 V HA 0.726 4.846 4.120 -0.001 0.000 0.304 285 V C -0.612 175.529 176.094 0.078 0.000 1.042 285 V CA -0.110 62.274 62.300 0.140 0.000 0.877 285 V CB 1.977 33.930 31.823 0.218 0.000 0.996 285 V HN 0.956 nan 8.190 nan 0.000 0.425 286 T N 6.328 120.936 114.554 0.089 0.000 2.829 286 T HA 0.891 5.241 4.350 -0.001 0.000 0.282 286 T C -0.037 174.703 174.700 0.066 0.000 0.990 286 T CA 0.275 62.406 62.100 0.052 0.000 1.028 286 T CB 1.495 70.395 68.868 0.053 0.000 0.951 286 T HN 1.291 nan 8.240 nan 0.000 0.460 287 A N 1.743 124.534 122.820 -0.048 0.000 2.533 287 A HA 0.670 4.989 4.320 -0.001 0.000 0.293 287 A C 0.143 177.662 177.584 -0.108 0.000 1.228 287 A CA -0.651 51.305 52.037 -0.135 0.000 0.689 287 A CB 0.769 19.444 19.000 -0.541 0.000 1.303 287 A HN 0.664 nan 8.150 nan 0.000 0.444 288 D N -1.290 119.039 120.400 -0.118 0.000 2.216 288 D HA 0.175 4.814 4.640 -0.001 0.000 0.208 288 D C -0.599 175.333 176.300 -0.613 0.000 0.960 288 D CA 1.830 55.639 54.000 -0.317 0.000 0.861 288 D CB 0.190 40.860 40.800 -0.218 0.000 0.985 288 D HN 0.447 nan 8.370 nan 0.000 0.493 289 Y N -1.024 119.251 120.300 -0.041 0.000 2.625 289 Y HA 0.452 5.001 4.550 -0.001 0.000 0.338 289 Y C -0.604 175.258 175.900 -0.064 0.000 1.123 289 Y CA -1.137 56.954 58.100 -0.014 0.000 1.046 289 Y CB 2.362 40.795 38.460 -0.045 0.000 1.299 289 Y HN -0.360 nan 8.280 nan 0.000 0.464 290 V N 3.545 123.558 119.914 0.165 0.000 2.733 290 V HA 0.634 4.753 4.120 -0.001 0.000 0.306 290 V C -1.622 174.491 176.094 0.032 0.000 1.084 290 V CA -0.710 61.611 62.300 0.036 0.000 0.905 290 V CB 1.620 33.441 31.823 -0.003 0.000 1.010 290 V HN 0.670 nan 8.190 nan 0.000 0.424 291 I N 6.912 127.460 120.570 -0.036 0.000 2.382 291 I HA 0.417 4.587 4.170 -0.001 0.000 0.285 291 I C -0.365 175.692 176.117 -0.100 0.000 1.007 291 I CA -0.917 60.345 61.300 -0.063 0.000 1.142 291 I CB 1.885 39.853 38.000 -0.054 0.000 1.289 291 I HN 0.308 nan 8.210 nan 0.000 0.453 292 V N 5.802 125.589 119.914 -0.212 0.000 2.427 292 V HA 0.056 4.176 4.120 -0.001 0.000 0.268 292 V C 0.338 176.471 176.094 0.065 0.000 1.046 292 V CA -0.117 62.136 62.300 -0.079 0.000 0.970 292 V CB 0.940 32.703 31.823 -0.101 0.000 1.001 292 V HN 0.911 nan 8.190 nan 0.000 0.476 293 C N 3.729 123.081 119.300 0.086 0.000 2.660 293 C HA 0.307 4.766 4.460 -0.001 0.000 0.265 293 C C 1.335 176.416 174.990 0.151 0.000 1.573 293 C CA -0.372 58.713 59.018 0.112 0.000 1.751 293 C CB -1.170 26.593 27.740 0.039 0.000 3.033 293 C HN 0.968 nan 8.230 nan 0.000 0.511 294 T N -1.274 113.408 114.554 0.213 0.000 2.884 294 T HA 0.536 4.885 4.350 -0.001 0.000 0.277 294 T C 0.484 175.356 174.700 0.287 0.000 0.976 294 T CA -0.019 62.199 62.100 0.196 0.000 0.956 294 T CB 0.768 69.737 68.868 0.168 0.000 1.113 294 T HN 0.402 nan 8.240 nan 0.000 0.554 295 T N -0.641 114.032 114.554 0.199 0.000 2.813 295 T HA 0.241 4.591 4.350 -0.001 0.000 0.297 295 T C 1.713 176.407 174.700 -0.010 0.000 1.036 295 T CA -0.182 62.026 62.100 0.180 0.000 1.044 295 T CB 0.458 69.341 68.868 0.025 0.000 0.993 295 T HN 0.851 nan 8.240 nan 0.000 0.535 296 S N 1.152 116.639 115.700 -0.355 0.000 2.382 296 S HA -0.176 4.294 4.470 -0.001 0.000 0.228 296 S C 2.008 176.445 174.600 -0.271 0.000 1.027 296 S CA 0.600 58.402 58.200 -0.664 0.000 0.991 296 S CB -0.541 62.102 63.200 -0.928 0.000 0.823 296 S HN 0.739 nan 8.310 nan 0.000 0.469 297 R N 1.517 121.880 120.500 -0.229 0.000 2.092 297 R HA 0.127 4.466 4.340 -0.001 0.000 0.231 297 R C 2.741 179.003 176.300 -0.064 0.000 1.119 297 R CA 1.158 57.164 56.100 -0.157 0.000 0.970 297 R CB -0.749 29.420 30.300 -0.218 0.000 0.864 297 R HN 0.566 nan 8.270 nan 0.000 0.440 298 A N 0.748 123.550 122.820 -0.030 0.000 1.972 298 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 298 A C 2.284 179.931 177.584 0.105 0.000 1.169 298 A CA 1.224 53.293 52.037 0.054 0.000 0.635 298 A CB -0.398 18.659 19.000 0.095 0.000 0.810 298 A HN 0.116 nan 8.150 nan 0.000 0.446 299 V N 0.071 120.057 119.914 0.119 0.000 2.407 299 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 299 V C 2.434 178.680 176.094 0.254 0.000 1.055 299 V CA 2.137 64.585 62.300 0.247 0.000 1.049 299 V CB -0.845 31.121 31.823 0.238 0.000 0.662 299 V HN 0.549 nan 8.190 nan 0.000 0.455 300 R N -0.329 120.241 120.500 0.117 0.000 2.285 300 R HA 0.038 4.378 4.340 -0.001 0.000 0.213 300 R C 1.916 178.282 176.300 0.109 0.000 1.068 300 R CA 0.770 56.929 56.100 0.100 0.000 1.004 300 R CB -0.227 30.086 30.300 0.021 0.000 0.873 300 R HN 0.461 nan 8.270 nan 0.000 0.467 301 L N 0.393 121.679 121.223 0.105 0.000 2.446 301 L HA 0.147 4.487 4.340 -0.001 0.000 0.219 301 L C 0.728 177.643 176.870 0.076 0.000 1.116 301 L CA 0.135 55.022 54.840 0.078 0.000 0.844 301 L CB 0.106 42.204 42.059 0.065 0.000 0.970 301 L HN 0.069 nan 8.230 nan 0.000 0.457 302 I N 0.245 120.880 120.570 0.109 0.000 2.395 302 I HA 0.001 4.171 4.170 -0.001 0.000 0.289 302 I C 0.495 176.597 176.117 -0.025 0.000 1.023 302 I CA -0.073 61.216 61.300 -0.018 0.000 1.350 302 I CB 1.288 39.210 38.000 -0.130 0.000 1.409 302 I HN -0.198 nan 8.210 nan 0.000 0.507 303 K N 7.084 127.422 120.400 -0.102 0.000 2.285 303 K HA 0.354 4.674 4.320 -0.001 0.000 0.286 303 K C -1.041 175.476 176.600 -0.139 0.000 1.072 303 K CA -0.212 56.060 56.287 -0.025 0.000 0.913 303 K CB -0.020 32.471 32.500 -0.014 0.000 1.067 303 K HN 0.320 nan 8.250 nan 0.000 0.479 304 F N 3.174 123.153 119.950 0.048 0.000 2.422 304 F HA 0.454 4.980 4.527 -0.001 0.000 0.333 304 F C 0.667 176.491 175.800 0.040 0.000 1.095 304 F CA -0.685 57.348 58.000 0.054 0.000 1.038 304 F CB 1.898 40.944 39.000 0.078 0.000 1.156 304 F HN 0.611 nan 8.300 nan 0.000 0.483 305 N N 3.797 122.612 118.700 0.191 0.000 2.558 305 N HA 0.358 5.097 4.740 -0.001 0.000 0.285 305 N C -2.944 172.632 175.510 0.111 0.000 1.112 305 N CA -1.803 51.319 53.050 0.121 0.000 0.857 305 N CB 1.913 40.438 38.487 0.062 0.000 1.376 305 N HN 0.082 nan 8.380 nan 0.000 0.526 306 P HA 0.213 nan 4.420 nan 0.000 0.272 306 P C -2.692 174.695 177.300 0.144 0.000 1.230 306 P CA -0.882 62.277 63.100 0.099 0.000 0.788 306 P CB 0.038 31.779 31.700 0.068 0.000 0.949 307 P HA 0.084 nan 4.420 nan 0.000 0.269 307 P C 0.067 177.389 177.300 0.038 0.000 1.215 307 P CA 0.080 63.253 63.100 0.122 0.000 0.780 307 P CB 0.585 32.332 31.700 0.079 0.000 0.898 308 L N 1.874 123.060 121.223 -0.061 0.000 2.490 308 L HA 0.077 4.417 4.340 -0.001 0.000 0.274 308 L C 1.209 178.021 176.870 -0.097 0.000 1.201 308 L CA -0.257 54.478 54.840 -0.174 0.000 0.869 308 L CB -0.411 41.428 42.059 -0.367 0.000 1.123 308 L HN 0.284 nan 8.230 nan 0.000 0.484 309 L N 4.754 125.928 121.223 -0.082 0.000 2.483 309 L HA -0.014 4.325 4.340 -0.001 0.000 0.275 309 L C -1.108 175.730 176.870 -0.053 0.000 1.220 309 L CA -1.155 53.655 54.840 -0.050 0.000 0.833 309 L CB -0.105 41.931 42.059 -0.038 0.000 1.102 309 L HN 0.464 nan 8.230 nan 0.000 0.490 310 P HA -0.234 nan 4.420 nan 0.000 0.217 310 P C 1.113 178.423 177.300 0.016 0.000 1.162 310 P CA 1.659 64.758 63.100 -0.002 0.000 0.901 310 P CB 0.138 31.847 31.700 0.015 0.000 0.793 311 K N -0.380 120.023 120.400 0.005 0.000 2.026 311 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 311 K C 2.228 178.798 176.600 -0.050 0.000 1.048 311 K CA 1.448 57.736 56.287 0.002 0.000 0.929 311 K CB -0.332 32.157 32.500 -0.018 0.000 0.713 311 K HN 0.107 nan 8.250 nan 0.000 0.439 312 K N 0.910 121.248 120.400 -0.103 0.000 2.057 312 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 312 K C 2.162 178.641 176.600 -0.202 0.000 1.050 312 K CA 1.136 57.311 56.287 -0.188 0.000 0.935 312 K CB -0.095 32.246 32.500 -0.266 0.000 0.715 312 K HN 0.111 nan 8.250 nan 0.000 0.439 313 A N 1.160 123.893 122.820 -0.146 0.000 1.883 313 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 313 A C 2.120 179.652 177.584 -0.087 0.000 1.186 313 A CA 1.924 53.887 52.037 -0.123 0.000 0.624 313 A CB -1.019 17.933 19.000 -0.080 0.000 0.822 313 A HN 0.530 nan 8.150 nan 0.000 0.444 314 H N 0.233 119.201 119.070 -0.171 0.000 2.321 314 H HA 0.019 4.575 4.556 -0.001 0.000 0.300 314 H C 2.326 177.369 175.328 -0.475 0.000 1.087 314 H CA 1.700 57.638 56.048 -0.183 0.000 1.319 314 H CB -0.640 29.107 29.762 -0.026 0.000 1.379 314 H HN 0.377 nan 8.280 nan 0.000 0.501 315 A N 0.956 123.439 122.820 -0.562 0.000 1.908 315 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 315 A C 2.866 180.045 177.584 -0.675 0.000 1.181 315 A CA 1.575 52.906 52.037 -1.176 0.000 0.627 315 A CB -0.997 17.609 19.000 -0.658 0.000 0.818 315 A HN 0.448 nan 8.150 nan 0.000 0.445 316 L N -1.126 119.865 121.223 -0.387 0.000 2.131 316 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 316 L C 2.780 179.519 176.870 -0.218 0.000 1.092 316 L CA 1.759 56.419 54.840 -0.300 0.000 0.759 316 L CB -0.433 41.477 42.059 -0.248 0.000 0.903 316 L HN 0.532 nan 8.230 nan 0.000 0.435 317 R N -0.333 120.063 120.500 -0.173 0.000 2.073 317 R HA -0.084 4.255 4.340 -0.001 0.000 0.229 317 R C 2.161 178.430 176.300 -0.052 0.000 1.120 317 R CA 1.676 57.726 56.100 -0.084 0.000 0.967 317 R CB -0.010 30.264 30.300 -0.044 0.000 0.862 317 R HN 0.140 nan 8.270 nan 0.000 0.436 318 S N 0.074 115.708 115.700 -0.111 0.000 2.486 318 S HA 0.127 4.597 4.470 -0.001 0.000 0.220 318 S C 0.315 174.898 174.600 -0.028 0.000 1.011 318 S CA -0.096 58.088 58.200 -0.027 0.000 0.921 318 S CB 0.511 63.769 63.200 0.097 0.000 0.785 318 S HN 0.069 nan 8.310 nan 0.000 0.517 319 V N 3.687 123.479 119.914 -0.204 0.000 2.539 319 V HA -0.067 4.053 4.120 -0.001 0.000 0.300 319 V C 0.396 176.582 176.094 0.154 0.000 1.019 319 V CA 0.403 62.653 62.300 -0.084 0.000 1.160 319 V CB -0.495 31.257 31.823 -0.117 0.000 0.901 319 V HN 0.430 nan 8.190 nan 0.000 0.481 320 H N 5.140 124.266 119.070 0.094 0.000 2.562 320 H HA 0.471 5.026 4.556 -0.001 0.000 0.352 320 H C -1.033 174.352 175.328 0.095 0.000 1.125 320 H CA -0.061 56.090 56.048 0.171 0.000 1.379 320 H CB 0.562 30.438 29.762 0.190 0.000 1.464 320 H HN 0.539 nan 8.280 nan 0.000 0.563 321 Y N 2.184 122.174 120.300 -0.517 0.000 2.462 321 Y HA 0.304 4.854 4.550 -0.001 0.000 0.346 321 Y C -0.156 175.460 175.900 -0.475 0.000 0.976 321 Y CA -0.993 56.905 58.100 -0.336 0.000 1.044 321 Y CB 1.387 39.748 38.460 -0.165 0.000 1.230 321 Y HN 0.661 nan 8.280 nan 0.000 0.455 322 R N 0.803 121.259 120.500 -0.073 0.000 2.474 322 R HA 0.765 5.105 4.340 -0.001 0.000 0.295 322 R C -0.657 175.702 176.300 0.098 0.000 0.980 322 R CA -0.713 55.400 56.100 0.022 0.000 0.934 322 R CB 1.333 31.666 30.300 0.056 0.000 1.101 322 R HN 0.534 nan 8.270 nan 0.000 0.469 323 S N 0.432 116.213 115.700 0.135 0.000 2.589 323 S HA 0.472 4.942 4.470 -0.001 0.000 0.265 323 S C 0.111 174.831 174.600 0.200 0.000 1.342 323 S CA 0.162 58.469 58.200 0.179 0.000 1.005 323 S CB 1.208 64.518 63.200 0.184 0.000 0.909 323 S HN 0.784 nan 8.310 nan 0.000 0.555 324 G N 0.780 109.752 108.800 0.287 0.000 2.711 324 G HA2 0.528 4.487 3.960 -0.001 0.000 0.288 324 G HA3 0.528 4.487 3.960 -0.001 0.000 0.288 324 G C -1.212 173.955 174.900 0.446 0.000 1.451 324 G CA -0.458 44.869 45.100 0.379 0.000 1.186 324 G HN 0.561 nan 8.290 nan 0.000 0.560 325 T N 2.086 116.868 114.554 0.380 0.000 2.881 325 T HA 0.532 4.882 4.350 -0.001 0.000 0.290 325 T C -0.438 174.367 174.700 0.176 0.000 1.000 325 T CA -0.610 61.629 62.100 0.231 0.000 0.978 325 T CB 1.822 70.773 68.868 0.137 0.000 0.997 325 T HN 0.410 nan 8.240 nan 0.000 0.443 326 K N 2.862 123.284 120.400 0.038 0.000 2.376 326 K HA 0.607 4.926 4.320 -0.001 0.000 0.257 326 K C -0.926 175.478 176.600 -0.327 0.000 0.939 326 K CA -0.676 55.486 56.287 -0.209 0.000 0.809 326 K CB 2.229 34.529 32.500 -0.334 0.000 1.121 326 K HN 0.490 nan 8.250 nan 0.000 0.425 327 I N 3.842 124.107 120.570 -0.507 0.000 2.362 327 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 327 I C -0.889 174.916 176.117 -0.519 0.000 0.994 327 I CA -0.761 60.285 61.300 -0.424 0.000 1.158 327 I CB 0.628 38.332 38.000 -0.492 0.000 1.315 327 I HN 0.355 nan 8.210 nan 0.000 0.451 328 F N 6.562 126.365 119.950 -0.245 0.000 2.436 328 F HA 0.548 5.075 4.527 -0.001 0.000 0.340 328 F C -0.108 175.505 175.800 -0.311 0.000 1.113 328 F CA -0.669 57.190 58.000 -0.235 0.000 1.022 328 F CB 1.159 40.066 39.000 -0.155 0.000 1.128 328 F HN 0.117 nan 8.300 nan 0.000 0.466 329 L N 3.143 124.254 121.223 -0.186 0.000 2.333 329 L HA 0.488 4.828 4.340 -0.001 0.000 0.280 329 L C -0.366 176.320 176.870 -0.308 0.000 1.004 329 L CA -0.560 54.115 54.840 -0.274 0.000 0.820 329 L CB 1.954 43.869 42.059 -0.239 0.000 1.247 329 L HN 0.559 nan 8.230 nan 0.000 0.416 330 T N 1.952 116.167 114.554 -0.565 0.000 2.744 330 T HA 0.379 4.728 4.350 -0.001 0.000 0.291 330 T C -0.260 174.300 174.700 -0.233 0.000 0.957 330 T CA -0.249 61.470 62.100 -0.635 0.000 1.002 330 T CB 0.521 68.673 68.868 -1.193 0.000 0.919 330 T HN 0.539 nan 8.240 nan 0.000 0.468 331 c N 2.883 121.475 118.600 -0.013 0.000 2.456 331 c HA 0.545 5.114 4.570 -0.001 0.000 0.325 331 c C 1.968 176.137 174.090 0.132 0.000 1.217 331 c CA -0.798 55.639 56.329 0.180 0.000 1.687 331 c CB 1.161 43.880 42.510 0.348 0.000 2.270 331 c HN 1.022 nan 8.230 nan 0.000 0.499 332 T N -2.244 112.407 114.554 0.163 0.000 3.044 332 T HA 0.083 4.432 4.350 -0.001 0.000 0.250 332 T C 0.471 175.185 174.700 0.024 0.000 1.081 332 T CA 0.458 62.623 62.100 0.109 0.000 1.040 332 T CB -0.118 68.836 68.868 0.142 0.000 0.962 332 T HN 0.639 nan 8.240 nan 0.000 0.506 333 T N 2.682 117.228 114.554 -0.014 0.000 2.892 333 T HA 0.345 4.695 4.350 -0.001 0.000 0.311 333 T C -0.447 174.001 174.700 -0.420 0.000 1.033 333 T CA -0.726 61.213 62.100 -0.268 0.000 0.991 333 T CB 1.354 69.877 68.868 -0.575 0.000 0.981 333 T HN 0.173 nan 8.240 nan 0.000 0.457 334 K N 3.517 123.512 120.400 -0.677 0.000 2.278 334 K HA 0.132 4.451 4.320 -0.001 0.000 0.237 334 K C 1.126 176.818 176.600 -1.513 0.000 1.229 334 K CA -0.279 55.064 56.287 -1.574 0.000 1.155 334 K CB -0.437 31.251 32.500 -1.353 0.000 1.590 334 K HN 0.692 nan 8.250 nan 0.000 0.290 335 F N -0.564 118.836 119.950 -0.917 0.000 2.236 335 F HA -0.216 4.310 4.527 -0.001 0.000 0.302 335 F C 1.522 177.118 175.800 -0.340 0.000 1.073 335 F CA 0.465 58.147 58.000 -0.530 0.000 1.336 335 F CB -0.816 38.026 39.000 -0.264 0.000 1.040 335 F HN 0.425 nan 8.300 nan 0.000 0.507 336 W N 1.377 122.223 121.300 -0.758 0.000 2.465 336 W HA 0.086 4.745 4.660 -0.001 0.000 0.268 336 W C 1.498 177.832 176.519 -0.308 0.000 1.242 336 W CA 0.867 57.936 57.345 -0.460 0.000 1.248 336 W CB -1.248 27.881 29.460 -0.551 0.000 1.118 336 W HN 0.101 nan 8.180 nan 0.000 0.587 337 E N 0.921 120.717 120.200 -0.674 0.000 2.338 337 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 337 E C 1.225 177.674 176.600 -0.251 0.000 1.007 337 E CA 1.196 57.300 56.400 -0.493 0.000 0.849 337 E CB -0.321 29.101 29.700 -0.463 0.000 0.774 337 E HN 0.340 nan 8.360 nan 0.000 0.506 338 D N 1.088 121.390 120.400 -0.162 0.000 2.310 338 D HA -0.095 4.544 4.640 -0.001 0.000 0.212 338 D C 0.858 177.179 176.300 0.034 0.000 0.965 338 D CA 0.818 54.795 54.000 -0.039 0.000 0.879 338 D CB -0.020 40.785 40.800 0.009 0.000 0.921 338 D HN 0.114 nan 8.370 nan 0.000 0.510 339 D N -0.583 119.854 120.400 0.062 0.000 2.340 339 D HA 0.146 4.785 4.640 -0.001 0.000 0.217 339 D C 1.360 177.622 176.300 -0.064 0.000 1.081 339 D CA 0.248 54.313 54.000 0.108 0.000 0.842 339 D CB 0.660 41.655 40.800 0.325 0.000 0.934 339 D HN 0.196 nan 8.370 nan 0.000 0.511 340 G N 1.415 110.141 108.800 -0.123 0.000 2.137 340 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.237 340 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.237 340 G C 0.264 174.978 174.900 -0.309 0.000 1.002 340 G CA -0.272 44.737 45.100 -0.153 0.000 0.702 340 G HN 0.358 nan 8.290 nan 0.000 0.515 341 I N 1.531 121.836 120.570 -0.442 0.000 2.342 341 I HA 0.384 4.554 4.170 -0.001 0.000 0.291 341 I C 0.044 175.773 176.117 -0.647 0.000 1.010 341 I CA -0.641 60.377 61.300 -0.471 0.000 1.308 341 I CB 0.880 38.583 38.000 -0.494 0.000 1.400 341 I HN 0.084 nan 8.210 nan 0.000 0.488 342 H N 5.447 124.475 119.070 -0.070 0.000 2.974 342 H HA 0.410 4.965 4.556 -0.001 0.000 0.285 342 H C 0.315 175.605 175.328 -0.063 0.000 1.227 342 H CA -0.215 55.820 56.048 -0.021 0.000 1.569 342 H CB 1.329 31.069 29.762 -0.036 0.000 1.648 342 H HN 0.905 nan 8.280 nan 0.000 0.521 343 G N 1.089 109.891 108.800 0.003 0.000 2.757 343 G HA2 0.237 4.197 3.960 -0.001 0.000 0.638 343 G HA3 0.237 4.197 3.960 -0.001 0.000 0.638 343 G C 0.202 175.053 174.900 -0.083 0.000 1.344 343 G CA -0.179 44.873 45.100 -0.080 0.000 0.855 343 G HN 1.331 nan 8.290 nan 0.000 0.537 344 G N -0.872 107.852 108.800 -0.128 0.000 2.660 344 G HA2 0.495 4.455 3.960 -0.001 0.000 0.215 344 G HA3 0.495 4.455 3.960 -0.001 0.000 0.215 344 G C -0.200 174.693 174.900 -0.012 0.000 1.345 344 G CA 0.962 46.014 45.100 -0.080 0.000 0.877 344 G HN 2.580 nan 8.290 nan 0.000 0.549 345 K N -1.797 118.560 120.400 -0.072 0.000 2.536 345 K HA 0.788 5.107 4.320 -0.001 0.000 0.269 345 K C -0.776 175.801 176.600 -0.038 0.000 0.965 345 K CA -0.684 55.511 56.287 -0.153 0.000 0.860 345 K CB 1.713 33.799 32.500 -0.691 0.000 1.423 345 K HN 0.731 nan 8.250 nan 0.000 0.438 346 S N 0.419 116.141 115.700 0.036 0.000 2.549 346 S HA 0.530 5.000 4.470 -0.001 0.000 0.297 346 S C -0.971 173.548 174.600 -0.134 0.000 1.115 346 S CA -0.567 57.633 58.200 -0.000 0.000 1.059 346 S CB 1.717 65.034 63.200 0.195 0.000 1.046 346 S HN 0.555 nan 8.310 nan 0.000 0.506 347 T N 1.882 116.287 114.554 -0.249 0.000 2.841 347 T HA 0.696 5.046 4.350 -0.001 0.000 0.283 347 T C -0.360 174.246 174.700 -0.156 0.000 1.000 347 T CA -0.495 61.420 62.100 -0.308 0.000 0.977 347 T CB 1.740 70.462 68.868 -0.243 0.000 0.979 347 T HN 0.561 nan 8.240 nan 0.000 0.446 348 T N 0.502 114.894 114.554 -0.270 0.000 2.821 348 T HA 0.410 4.759 4.350 -0.001 0.000 0.306 348 T C -0.633 173.982 174.700 -0.143 0.000 1.313 348 T CA -0.722 61.338 62.100 -0.066 0.000 1.012 348 T CB 1.439 70.328 68.868 0.036 0.000 1.298 348 T HN 0.585 nan 8.240 nan 0.000 0.502 349 D N 1.543 121.919 120.400 -0.039 0.000 2.349 349 D HA 0.221 4.860 4.640 -0.001 0.000 0.214 349 D C 0.814 177.066 176.300 -0.079 0.000 1.063 349 D CA -0.108 53.852 54.000 -0.067 0.000 0.847 349 D CB -0.230 40.550 40.800 -0.033 0.000 0.933 349 D HN 0.376 nan 8.370 nan 0.000 0.513 350 L N 0.241 121.440 121.223 -0.041 0.000 2.472 350 L HA 0.194 4.533 4.340 -0.001 0.000 0.260 350 L C -1.087 175.694 176.870 -0.148 0.000 1.209 350 L CA -1.729 53.074 54.840 -0.062 0.000 0.817 350 L CB 0.484 42.548 42.059 0.007 0.000 1.106 350 L HN -0.244 nan 8.230 nan 0.000 0.479 351 P HA -0.160 nan 4.420 nan 0.000 0.217 351 P C 1.389 178.736 177.300 0.078 0.000 1.148 351 P CA 1.182 64.088 63.100 -0.325 0.000 0.834 351 P CB 0.210 31.582 31.700 -0.547 0.000 0.783 352 S N -1.458 114.309 115.700 0.111 0.000 2.399 352 S HA -0.154 4.316 4.470 -0.001 0.000 0.231 352 S C 1.234 175.839 174.600 0.009 0.000 1.022 352 S CA 0.899 59.162 58.200 0.105 0.000 0.983 352 S CB -0.424 62.780 63.200 0.007 0.000 0.803 352 S HN 0.029 nan 8.310 nan 0.000 0.480 353 R N -0.989 119.437 120.500 -0.125 0.000 1.252 353 R HA -0.223 4.117 4.340 -0.001 0.000 0.031 353 R C -0.556 175.275 176.300 -0.783 0.000 0.958 353 R CA 2.092 57.957 56.100 -0.392 0.000 1.965 353 R CB -1.467 28.719 30.300 -0.191 0.000 0.201 353 R HN 0.495 nan 8.270 nan 0.000 0.724 354 F N 0.546 120.480 119.950 -0.027 0.000 2.536 354 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 354 F C 0.151 175.897 175.800 -0.089 0.000 1.144 354 F CA -0.891 57.063 58.000 -0.077 0.000 0.924 354 F CB 1.578 40.566 39.000 -0.019 0.000 1.181 354 F HN -0.136 nan 8.300 nan 0.000 0.438 355 I N 4.085 124.590 120.570 -0.108 0.000 2.339 355 I HA 0.255 4.425 4.170 -0.001 0.000 0.290 355 I C -0.854 174.937 176.117 -0.543 0.000 0.994 355 I CA -1.010 60.120 61.300 -0.284 0.000 1.191 355 I CB 0.864 38.664 38.000 -0.333 0.000 1.343 355 I HN 0.497 nan 8.210 nan 0.000 0.458 356 Y N 5.956 125.990 120.300 -0.443 0.000 2.330 356 Y HA 0.427 4.977 4.550 -0.001 0.000 0.336 356 Y C -0.280 175.204 175.900 -0.693 0.000 1.036 356 Y CA -0.348 57.522 58.100 -0.383 0.000 1.125 356 Y CB 1.287 39.686 38.460 -0.102 0.000 1.194 356 Y HN 0.338 nan 8.280 nan 0.000 0.469 357 Y N 4.100 124.240 120.300 -0.268 0.000 2.361 357 Y HA 0.392 4.942 4.550 -0.001 0.000 0.332 357 Y C -2.073 173.616 175.900 -0.351 0.000 1.101 357 Y CA -3.096 54.691 58.100 -0.522 0.000 1.137 357 Y CB 0.600 38.691 38.460 -0.614 0.000 1.207 357 Y HN 0.425 nan 8.280 nan 0.000 0.463 358 P HA -0.022 nan 4.420 nan 0.000 0.266 358 P C -0.400 176.763 177.300 -0.228 0.000 1.195 358 P CA 0.127 63.058 63.100 -0.282 0.000 0.768 358 P CB 1.043 32.506 31.700 -0.396 0.000 0.838 359 N N 0.473 119.027 118.700 -0.243 0.000 2.236 359 N HA 0.017 4.756 4.740 -0.001 0.000 0.196 359 N C 0.536 176.032 175.510 -0.024 0.000 1.114 359 N CA 0.226 53.220 53.050 -0.094 0.000 0.859 359 N CB 0.163 38.629 38.487 -0.036 0.000 0.982 359 N HN 0.668 nan 8.380 nan 0.000 0.493 360 H N -1.297 117.732 119.070 -0.069 0.000 2.797 360 H HA 0.453 5.008 4.556 -0.001 0.000 0.372 360 H C -0.858 174.321 175.328 -0.249 0.000 1.168 360 H CA -0.656 55.313 56.048 -0.132 0.000 1.163 360 H CB 1.049 30.723 29.762 -0.147 0.000 1.778 360 H HN -0.238 nan 8.280 nan 0.000 0.551 361 N N 0.444 119.069 118.700 -0.124 0.000 2.384 361 N HA 0.317 5.057 4.740 -0.001 0.000 0.301 361 N C -1.255 174.164 175.510 -0.153 0.000 1.133 361 N CA -0.388 52.575 53.050 -0.144 0.000 0.853 361 N CB 1.766 40.244 38.487 -0.015 0.000 1.241 361 N HN 0.281 nan 8.380 nan 0.000 0.502 362 F N 0.232 120.277 119.950 0.158 0.000 2.458 362 F HA 0.234 4.761 4.527 -0.001 0.000 0.336 362 F C 1.916 177.794 175.800 0.129 0.000 1.114 362 F CA -0.818 57.286 58.000 0.174 0.000 0.987 362 F CB 1.133 40.252 39.000 0.199 0.000 1.130 362 F HN 0.460 nan 8.300 nan 0.000 0.458 363 T N -0.515 114.237 114.554 0.330 0.000 2.624 363 T HA -0.357 3.993 4.350 -0.001 0.000 0.266 363 T C 1.369 176.172 174.700 0.172 0.000 1.050 363 T CA 2.132 64.353 62.100 0.202 0.000 1.163 363 T CB -0.653 68.315 68.868 0.167 0.000 0.861 363 T HN 0.604 nan 8.240 nan 0.000 0.443 364 N N 2.094 120.910 118.700 0.194 0.000 2.571 364 N HA 0.219 4.958 4.740 -0.001 0.000 0.189 364 N C 1.430 177.027 175.510 0.145 0.000 1.154 364 N CA 0.762 53.904 53.050 0.153 0.000 0.907 364 N CB -0.822 37.757 38.487 0.154 0.000 0.977 364 N HN 0.782 nan 8.380 nan 0.000 0.449 365 G N -1.446 107.453 108.800 0.165 0.000 2.159 365 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.256 365 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.256 365 G C -0.156 174.823 174.900 0.132 0.000 0.977 365 G CA 0.263 45.432 45.100 0.115 0.000 0.652 365 G HN 0.336 nan 8.290 nan 0.000 0.531 366 V N 0.585 120.633 119.914 0.222 0.000 2.715 366 V HA 0.601 4.721 4.120 -0.001 0.000 0.299 366 V C 1.093 177.371 176.094 0.306 0.000 1.054 366 V CA 0.780 63.209 62.300 0.214 0.000 1.077 366 V CB 1.544 33.473 31.823 0.177 0.000 0.972 366 V HN 0.958 nan 8.190 nan 0.000 0.484 367 G N 2.939 111.874 108.800 0.225 0.000 2.617 367 G HA2 0.602 4.562 3.960 -0.001 0.000 0.306 367 G HA3 0.602 4.562 3.960 -0.001 0.000 0.306 367 G C -1.483 173.550 174.900 0.222 0.000 1.360 367 G CA -0.430 44.859 45.100 0.315 0.000 0.983 367 G HN 0.550 nan 8.290 nan 0.000 0.496 368 V N 3.384 123.358 119.914 0.099 0.000 2.357 368 V HA 0.479 4.599 4.120 -0.001 0.000 0.284 368 V C 0.341 176.324 176.094 -0.185 0.000 1.018 368 V CA -0.645 61.628 62.300 -0.045 0.000 0.841 368 V CB 0.890 32.748 31.823 0.059 0.000 0.991 368 V HN 0.736 nan 8.190 nan 0.000 0.437 369 I N 3.233 123.608 120.570 -0.324 0.000 2.525 369 I HA 0.746 4.915 4.170 -0.001 0.000 0.301 369 I C -0.714 175.169 176.117 -0.390 0.000 0.992 369 I CA -0.726 60.252 61.300 -0.537 0.000 1.162 369 I CB 1.821 39.343 38.000 -0.797 0.000 1.332 369 I HN 0.377 nan 8.210 nan 0.000 0.458 370 I N 3.795 124.113 120.570 -0.419 0.000 2.545 370 I HA 0.628 4.797 4.170 -0.001 0.000 0.292 370 I C -0.155 175.783 176.117 -0.297 0.000 1.040 370 I CA -0.813 60.214 61.300 -0.455 0.000 1.068 370 I CB 2.063 39.768 38.000 -0.491 0.000 1.251 370 I HN 0.768 nan 8.210 nan 0.000 0.424 371 A N 5.521 128.150 122.820 -0.319 0.000 2.260 371 A HA 0.649 4.968 4.320 -0.001 0.000 0.314 371 A C -1.497 176.055 177.584 -0.054 0.000 1.257 371 A CA -0.289 51.652 52.037 -0.160 0.000 0.871 371 A CB 0.532 19.390 19.000 -0.235 0.000 1.166 371 A HN 0.592 nan 8.150 nan 0.000 0.522 372 Y N 1.906 122.203 120.300 -0.006 0.000 2.346 372 Y HA 0.626 5.175 4.550 -0.001 0.000 0.332 372 Y C 0.040 176.044 175.900 0.172 0.000 0.985 372 Y CA -1.123 56.995 58.100 0.031 0.000 1.112 372 Y CB 1.564 40.039 38.460 0.025 0.000 1.170 372 Y HN 0.840 nan 8.280 nan 0.000 0.447 373 G N 5.126 113.969 108.800 0.070 0.000 2.574 373 G HA2 0.664 4.624 3.960 -0.001 0.000 0.299 373 G HA3 0.664 4.624 3.960 -0.001 0.000 0.299 373 G C -1.779 173.062 174.900 -0.098 0.000 1.298 373 G CA -0.893 44.194 45.100 -0.022 0.000 0.952 373 G HN 0.697 nan 8.290 nan 0.000 0.477 374 I N -1.234 119.269 120.570 -0.112 0.000 3.002 374 I HA 0.949 5.118 4.170 -0.001 0.000 0.310 374 I C 0.959 177.099 176.117 0.039 0.000 1.087 374 I CA -0.425 60.847 61.300 -0.047 0.000 1.017 374 I CB 1.287 39.190 38.000 -0.163 0.000 1.226 374 I HN 1.541 nan 8.210 nan 0.000 0.443 375 G N 2.032 110.882 108.800 0.083 0.000 2.596 375 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.295 375 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.295 375 G C 0.525 175.530 174.900 0.174 0.000 1.240 375 G CA 0.845 46.026 45.100 0.134 0.000 0.985 375 G HN 0.820 nan 8.290 nan 0.000 0.555 376 D N 0.726 121.242 120.400 0.193 0.000 2.218 376 D HA -0.016 4.624 4.640 -0.001 0.000 0.204 376 D C 2.045 178.453 176.300 0.180 0.000 0.976 376 D CA 1.383 55.500 54.000 0.195 0.000 0.853 376 D CB -0.290 40.631 40.800 0.201 0.000 0.939 376 D HN 0.410 nan 8.370 nan 0.000 0.481 377 D N 0.110 120.598 120.400 0.146 0.000 2.144 377 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 377 D C 1.974 178.444 176.300 0.283 0.000 0.984 377 D CA 1.098 55.186 54.000 0.146 0.000 0.834 377 D CB -0.109 40.758 40.800 0.111 0.000 0.955 377 D HN 0.165 nan 8.370 nan 0.000 0.465 378 A N 1.050 124.034 122.820 0.273 0.000 1.929 378 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 378 A C 1.904 179.706 177.584 0.364 0.000 1.176 378 A CA 0.895 53.146 52.037 0.357 0.000 0.628 378 A CB -0.344 18.811 19.000 0.257 0.000 0.816 378 A HN 0.088 nan 8.150 nan 0.000 0.444 379 N N -0.724 118.133 118.700 0.260 0.000 2.348 379 N HA -0.148 4.592 4.740 -0.001 0.000 0.185 379 N C 1.245 176.855 175.510 0.167 0.000 1.019 379 N CA 1.080 54.250 53.050 0.200 0.000 0.880 379 N CB -0.602 37.987 38.487 0.169 0.000 0.965 379 N HN 0.554 nan 8.380 nan 0.000 0.437 380 F N 0.802 120.757 119.950 0.009 0.000 2.126 380 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 380 F C 1.482 177.142 175.800 -0.233 0.000 1.096 380 F CA 1.416 59.305 58.000 -0.185 0.000 1.255 380 F CB -0.316 38.441 39.000 -0.405 0.000 0.997 380 F HN -0.096 nan 8.300 nan 0.000 0.479 381 F N -0.139 119.876 119.950 0.109 0.000 2.743 381 F HA 0.035 4.562 4.527 -0.001 0.000 0.297 381 F C 2.351 178.137 175.800 -0.024 0.000 1.131 381 F CA 0.591 58.596 58.000 0.009 0.000 1.426 381 F CB -0.982 38.068 39.000 0.083 0.000 1.116 381 F HN 0.015 nan 8.300 nan 0.000 0.583 382 Q N 1.108 121.002 119.800 0.156 0.000 2.096 382 Q HA -0.260 4.079 4.340 -0.001 0.000 0.208 382 Q C 2.191 178.219 176.000 0.047 0.000 0.993 382 Q CA 2.279 58.141 55.803 0.099 0.000 0.862 382 Q CB -0.226 28.562 28.738 0.083 0.000 0.915 382 Q HN 0.399 nan 8.270 nan 0.000 0.416 383 A N -0.494 122.323 122.820 -0.006 0.000 2.251 383 A HA 0.200 4.520 4.320 -0.001 0.000 0.209 383 A C 0.382 177.957 177.584 -0.015 0.000 1.187 383 A CA -0.118 51.908 52.037 -0.018 0.000 0.823 383 A CB 0.034 19.005 19.000 -0.048 0.000 0.846 383 A HN 0.293 nan 8.150 nan 0.000 0.486 384 L N 1.557 122.776 121.223 -0.005 0.000 2.326 384 L HA 0.295 4.635 4.340 -0.001 0.000 0.278 384 L C -0.013 176.895 176.870 0.064 0.000 1.092 384 L CA -1.003 53.846 54.840 0.016 0.000 0.810 384 L CB 0.875 42.943 42.059 0.015 0.000 1.153 384 L HN 0.383 nan 8.230 nan 0.000 0.439 385 D N 0.914 121.356 120.400 0.070 0.000 2.384 385 D HA -0.066 4.574 4.640 -0.001 0.000 0.244 385 D C 0.948 177.338 176.300 0.150 0.000 1.251 385 D CA -0.257 53.811 54.000 0.112 0.000 0.961 385 D CB 0.546 41.411 40.800 0.108 0.000 1.116 385 D HN 0.403 nan 8.370 nan 0.000 0.484 386 F N 0.362 120.339 119.950 0.043 0.000 2.043 386 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 386 F C 2.165 178.007 175.800 0.069 0.000 1.118 386 F CA 2.128 60.155 58.000 0.046 0.000 1.202 386 F CB -0.082 38.943 39.000 0.042 0.000 0.965 386 F HN 0.278 nan 8.300 nan 0.000 0.482 387 K N -0.387 120.192 120.400 0.299 0.000 2.097 387 K HA -0.186 4.134 4.320 -0.001 0.000 0.206 387 K C 1.726 178.400 176.600 0.122 0.000 1.049 387 K CA 1.608 58.023 56.287 0.213 0.000 0.933 387 K CB -0.358 32.268 32.500 0.209 0.000 0.717 387 K HN 0.294 nan 8.250 nan 0.000 0.442 388 D N 0.551 121.014 120.400 0.105 0.000 2.144 388 D HA -0.111 4.528 4.640 -0.001 0.000 0.200 388 D C 1.965 178.334 176.300 0.115 0.000 0.978 388 D CA 0.821 54.879 54.000 0.096 0.000 0.833 388 D CB -0.372 40.471 40.800 0.073 0.000 0.961 388 D HN 0.189 nan 8.370 nan 0.000 0.470 389 C N 1.045 120.398 119.300 0.087 0.000 2.432 389 C HA -0.029 4.430 4.460 -0.001 0.000 0.277 389 C C 2.913 177.902 174.990 -0.003 0.000 1.249 389 C CA 0.831 59.924 59.018 0.125 0.000 1.725 389 C CB -0.976 26.735 27.740 -0.048 0.000 2.028 389 C HN 0.365 nan 8.230 nan 0.000 0.477 390 A N 0.336 123.077 122.820 -0.130 0.000 1.933 390 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 390 A C 1.803 179.422 177.584 0.059 0.000 1.175 390 A CA 2.312 54.250 52.037 -0.165 0.000 0.628 390 A CB -0.738 18.184 19.000 -0.129 0.000 0.814 390 A HN 0.612 nan 8.150 nan 0.000 0.444 391 D N -0.182 120.330 120.400 0.186 0.000 2.123 391 D HA -0.135 4.505 4.640 -0.001 0.000 0.196 391 D C 1.691 178.113 176.300 0.204 0.000 0.992 391 D CA 1.414 55.566 54.000 0.253 0.000 0.833 391 D CB -0.207 40.693 40.800 0.166 0.000 0.954 391 D HN 0.504 nan 8.370 nan 0.000 0.455 392 I N -0.433 120.245 120.570 0.180 0.000 2.179 392 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 392 I C 2.338 178.535 176.117 0.134 0.000 1.088 392 I CA 0.587 62.005 61.300 0.195 0.000 1.357 392 I CB -0.168 38.042 38.000 0.350 0.000 1.051 392 I HN -0.002 nan 8.210 nan 0.000 0.409 393 V N 0.387 120.331 119.914 0.051 0.000 2.407 393 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 393 V C 2.261 178.316 176.094 -0.066 0.000 1.055 393 V CA 1.828 64.080 62.300 -0.080 0.000 1.049 393 V CB -0.689 30.970 31.823 -0.273 0.000 0.662 393 V HN 0.222 nan 8.190 nan 0.000 0.455 394 F N 0.925 120.875 119.950 0.000 0.000 2.134 394 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 394 F C 2.379 178.160 175.800 -0.032 0.000 1.097 394 F CA 1.391 59.382 58.000 -0.016 0.000 1.264 394 F CB -0.780 38.209 39.000 -0.018 0.000 1.001 394 F HN 0.202 nan 8.300 nan 0.000 0.479 395 N N 0.361 119.165 118.700 0.173 0.000 2.120 395 N HA -0.156 4.583 4.740 -0.001 0.000 0.188 395 N C 1.459 176.969 175.510 -0.001 0.000 1.024 395 N CA 1.575 54.665 53.050 0.067 0.000 0.852 395 N CB -0.589 37.934 38.487 0.061 0.000 1.003 395 N HN 0.231 nan 8.380 nan 0.000 0.424 396 D N 0.814 121.214 120.400 -0.000 0.000 2.117 396 D HA -0.056 4.583 4.640 -0.001 0.000 0.198 396 D C 2.191 178.435 176.300 -0.093 0.000 0.982 396 D CA 0.450 54.409 54.000 -0.068 0.000 0.828 396 D CB -0.361 40.419 40.800 -0.033 0.000 0.967 396 D HN 0.222 nan 8.370 nan 0.000 0.464 397 L N 0.460 121.689 121.223 0.010 0.000 2.083 397 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 397 L C 2.541 179.444 176.870 0.056 0.000 1.083 397 L CA 0.855 55.769 54.840 0.122 0.000 0.752 397 L CB -0.406 41.772 42.059 0.197 0.000 0.899 397 L HN 0.004 nan 8.230 nan 0.000 0.433 398 S N 0.107 115.795 115.700 -0.019 0.000 2.370 398 S HA -0.162 4.308 4.470 -0.001 0.000 0.226 398 S C 1.951 176.450 174.600 -0.169 0.000 1.033 398 S CA 1.334 59.488 58.200 -0.077 0.000 1.011 398 S CB -0.132 63.028 63.200 -0.066 0.000 0.852 398 S HN 0.311 nan 8.310 nan 0.000 0.457 399 L N 0.515 121.566 121.223 -0.287 0.000 2.095 399 L HA 0.066 4.406 4.340 -0.001 0.000 0.204 399 L C 2.352 178.771 176.870 -0.751 0.000 1.080 399 L CA 0.901 55.416 54.840 -0.542 0.000 0.759 399 L CB -0.431 41.161 42.059 -0.780 0.000 0.914 399 L HN 0.326 nan 8.230 nan 0.000 0.439 400 I N -0.812 119.366 120.570 -0.652 0.000 2.226 400 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 400 I C 2.026 177.664 176.117 -0.799 0.000 1.100 400 I CA 1.243 62.168 61.300 -0.625 0.000 1.374 400 I CB -0.292 37.503 38.000 -0.342 0.000 1.057 400 I HN 0.351 nan 8.210 nan 0.000 0.413 401 H N 0.665 119.542 119.070 -0.321 0.000 2.586 401 H HA 0.189 4.745 4.556 -0.001 0.000 0.273 401 H C 0.092 175.283 175.328 -0.229 0.000 0.997 401 H CA 0.006 55.914 56.048 -0.233 0.000 1.177 401 H CB 0.373 30.236 29.762 0.170 0.000 1.471 401 H HN 0.357 nan 8.280 nan 0.000 0.538 402 Q N 0.817 120.491 119.800 -0.210 0.000 2.443 402 Q HA -0.179 4.160 4.340 -0.001 0.000 0.337 402 Q C -0.865 175.098 176.000 -0.061 0.000 1.401 402 Q CA 0.442 56.155 55.803 -0.151 0.000 0.943 402 Q CB -1.241 27.396 28.738 -0.169 0.000 1.177 402 Q HN 0.441 nan 8.270 nan 0.000 0.394 403 L N -0.210 120.979 121.223 -0.055 0.000 2.388 403 L HA 0.574 4.913 4.340 -0.001 0.000 0.264 403 L C -2.242 174.575 176.870 -0.089 0.000 0.998 403 L CA -2.396 52.413 54.840 -0.050 0.000 0.817 403 L CB 1.932 43.955 42.059 -0.060 0.000 1.338 403 L HN -0.080 nan 8.230 nan 0.000 0.414 404 P HA 0.008 nan 4.420 nan 0.000 0.264 404 P C 0.168 177.374 177.300 -0.157 0.000 1.193 404 P CA 0.001 63.033 63.100 -0.113 0.000 0.763 404 P CB 0.711 32.344 31.700 -0.112 0.000 0.810 405 K N 4.170 124.488 120.400 -0.137 0.000 2.044 405 K HA -0.276 4.044 4.320 -0.001 0.000 0.210 405 K C 2.091 178.539 176.600 -0.253 0.000 1.049 405 K CA 2.359 58.553 56.287 -0.154 0.000 0.927 405 K CB -0.391 32.041 32.500 -0.115 0.000 0.713 405 K HN 0.270 nan 8.250 nan 0.000 0.443 406 K N 1.138 121.395 120.400 -0.239 0.000 2.152 406 K HA -0.193 4.126 4.320 -0.001 0.000 0.206 406 K C 1.642 178.023 176.600 -0.366 0.000 1.048 406 K CA 2.159 58.280 56.287 -0.277 0.000 0.933 406 K CB -0.864 31.515 32.500 -0.202 0.000 0.721 406 K HN 0.380 nan 8.250 nan 0.000 0.447 407 D N 0.286 120.441 120.400 -0.407 0.000 2.097 407 D HA -0.025 4.615 4.640 -0.001 0.000 0.197 407 D C 1.847 177.542 176.300 -1.008 0.000 0.984 407 D CA 1.120 54.693 54.000 -0.713 0.000 0.826 407 D CB -0.129 40.345 40.800 -0.544 0.000 0.973 407 D HN 0.518 nan 8.370 nan 0.000 0.460 408 I N 0.589 120.828 120.570 -0.551 0.000 2.286 408 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 408 I C 2.086 178.134 176.117 -0.114 0.000 1.115 408 I CA 0.991 62.131 61.300 -0.266 0.000 1.392 408 I CB -0.279 37.654 38.000 -0.111 0.000 1.065 408 I HN -0.018 nan 8.210 nan 0.000 0.418 409 Q N -0.342 119.217 119.800 -0.401 0.000 2.437 409 Q HA -0.134 4.205 4.340 -0.001 0.000 0.210 409 Q C 2.234 178.104 176.000 -0.216 0.000 0.972 409 Q CA 1.160 56.643 55.803 -0.534 0.000 0.903 409 Q CB 0.051 28.354 28.738 -0.725 0.000 0.967 409 Q HN 0.379 nan 8.270 nan 0.000 0.486 410 S N -0.899 114.643 115.700 -0.265 0.000 2.468 410 S HA 0.018 4.487 4.470 -0.001 0.000 0.226 410 S C 1.297 175.926 174.600 0.047 0.000 1.051 410 S CA 0.027 58.130 58.200 -0.163 0.000 0.943 410 S CB 0.106 63.127 63.200 -0.298 0.000 0.810 410 S HN 0.270 nan 8.310 nan 0.000 0.509 411 F N 2.188 122.192 119.950 0.091 0.000 2.234 411 F HA 0.240 4.767 4.527 -0.001 0.000 0.299 411 F C 1.348 177.287 175.800 0.231 0.000 1.087 411 F CA -0.725 57.366 58.000 0.153 0.000 1.340 411 F CB -0.959 38.157 39.000 0.194 0.000 1.031 411 F HN 0.247 nan 8.300 nan 0.000 0.500 412 c N -1.912 116.965 118.600 0.462 0.000 3.154 412 c HA 0.727 5.296 4.570 -0.001 0.000 0.312 412 c C -0.814 173.578 174.090 0.502 0.000 1.349 412 c CA -1.272 55.314 56.329 0.428 0.000 1.518 412 c CB 1.341 44.102 42.510 0.419 0.000 1.934 412 c HN 0.363 nan 8.230 nan 0.000 0.462 413 Y N -1.866 118.605 120.300 0.285 0.000 2.544 413 Y HA 0.702 5.251 4.550 -0.001 0.000 0.342 413 Y C -3.342 172.686 175.900 0.214 0.000 1.062 413 Y CA -2.988 55.300 58.100 0.313 0.000 1.023 413 Y CB 0.503 39.095 38.460 0.219 0.000 1.308 413 Y HN 0.400 nan 8.280 nan 0.000 0.457 414 P HA 0.151 nan 4.420 nan 0.000 0.275 414 P C 0.276 177.729 177.300 0.255 0.000 1.276 414 P CA 0.226 63.364 63.100 0.065 0.000 0.782 414 P CB 1.241 32.988 31.700 0.077 0.000 0.851 415 S N 2.292 117.959 115.700 -0.055 0.000 2.468 415 S HA 0.179 4.649 4.470 -0.001 0.000 0.226 415 S C 0.578 175.296 174.600 0.197 0.000 1.051 415 S CA 0.299 58.556 58.200 0.094 0.000 0.943 415 S CB -0.036 63.052 63.200 -0.187 0.000 0.810 415 S HN 0.215 nan 8.310 nan 0.000 0.509 416 V N 1.172 121.166 119.914 0.134 0.000 3.048 416 V HA 0.546 4.665 4.120 -0.001 0.000 0.303 416 V C -1.336 174.873 176.094 0.192 0.000 1.214 416 V CA -0.841 61.485 62.300 0.044 0.000 0.984 416 V CB 1.993 33.541 31.823 -0.458 0.000 1.054 416 V HN 0.381 nan 8.190 nan 0.000 0.430 417 I N 2.777 123.459 120.570 0.188 0.000 2.512 417 I HA 0.480 4.649 4.170 -0.001 0.000 0.287 417 I C -1.098 175.035 176.117 0.028 0.000 1.069 417 I CA -0.524 60.817 61.300 0.068 0.000 1.056 417 I CB 2.187 40.131 38.000 -0.093 0.000 1.229 417 I HN 0.649 nan 8.210 nan 0.000 0.429 418 Q N 6.599 126.405 119.800 0.009 0.000 2.357 418 Q HA 0.363 4.703 4.340 -0.001 0.000 0.266 418 Q C -1.355 174.510 176.000 -0.225 0.000 1.021 418 Q CA -0.431 55.256 55.803 -0.193 0.000 0.784 418 Q CB 1.231 29.819 28.738 -0.250 0.000 1.243 418 Q HN 0.393 nan 8.270 nan 0.000 0.465 419 K N 3.825 124.095 120.400 -0.216 0.000 2.300 419 K HA 0.147 4.466 4.320 -0.001 0.000 0.264 419 K C -0.185 176.346 176.600 -0.114 0.000 1.083 419 K CA -0.239 56.002 56.287 -0.077 0.000 0.958 419 K CB 0.515 33.013 32.500 -0.003 0.000 1.318 419 K HN 0.715 nan 8.250 nan 0.000 0.448 420 W N 0.993 122.342 121.300 0.082 0.000 2.392 420 W HA -0.169 4.490 4.660 -0.001 0.000 0.279 420 W C 1.853 178.402 176.519 0.049 0.000 1.225 420 W CA 0.784 58.171 57.345 0.069 0.000 1.233 420 W CB 0.102 29.610 29.460 0.080 0.000 1.122 420 W HN 0.467 nan 8.180 nan 0.000 0.561 421 S N 0.250 116.091 115.700 0.235 0.000 2.469 421 S HA -0.065 4.405 4.470 -0.001 0.000 0.238 421 S C 1.438 176.084 174.600 0.077 0.000 0.998 421 S CA 0.732 59.018 58.200 0.143 0.000 0.957 421 S CB -0.275 63.001 63.200 0.125 0.000 0.764 421 S HN 0.223 nan 8.310 nan 0.000 0.514 422 L N 0.887 122.141 121.223 0.051 0.000 2.667 422 L HA 0.271 4.610 4.340 -0.001 0.000 0.232 422 L C 0.155 177.010 176.870 -0.026 0.000 1.138 422 L CA -0.184 54.658 54.840 0.002 0.000 0.921 422 L CB -0.190 41.863 42.059 -0.010 0.000 1.180 422 L HN 0.102 nan 8.230 nan 0.000 0.487 423 D N 1.432 121.841 120.400 0.014 0.000 2.371 423 D HA -0.030 4.609 4.640 -0.001 0.000 0.256 423 D C 1.507 177.792 176.300 -0.024 0.000 1.193 423 D CA -0.032 53.976 54.000 0.013 0.000 0.881 423 D CB 0.980 41.901 40.800 0.203 0.000 1.143 423 D HN 0.178 nan 8.370 nan 0.000 0.473 424 K N 2.518 122.825 120.400 -0.154 0.000 2.360 424 K HA -0.207 4.112 4.320 -0.001 0.000 0.201 424 K C 0.463 176.863 176.600 -0.332 0.000 1.046 424 K CA 1.246 57.358 56.287 -0.291 0.000 0.945 424 K CB -0.093 32.137 32.500 -0.451 0.000 0.750 424 K HN 0.486 nan 8.250 nan 0.000 0.464 425 Y N 0.437 120.770 120.300 0.055 0.000 2.464 425 Y HA 0.319 4.868 4.550 -0.001 0.000 0.288 425 Y C 2.663 178.593 175.900 0.049 0.000 1.133 425 Y CA 0.207 58.340 58.100 0.056 0.000 1.223 425 Y CB -0.266 38.239 38.460 0.074 0.000 1.187 425 Y HN 0.117 nan 8.280 nan 0.000 0.539 426 A N 0.042 122.997 122.820 0.225 0.000 1.897 426 A HA -0.090 4.230 4.320 -0.001 0.000 0.215 426 A C 1.504 179.075 177.584 -0.023 0.000 1.181 426 A CA 1.672 53.788 52.037 0.131 0.000 0.620 426 A CB -0.649 18.485 19.000 0.223 0.000 0.821 426 A HN 0.482 nan 8.150 nan 0.000 0.443 427 M N -2.903 116.692 119.600 -0.008 0.000 2.856 427 M HA -0.200 4.280 4.480 -0.001 0.000 0.189 427 M C 0.391 176.589 176.300 -0.171 0.000 0.612 427 M CA 0.723 55.972 55.300 -0.086 0.000 0.673 427 M CB -2.136 30.393 32.600 -0.118 0.000 2.440 427 M HN 0.944 nan 8.290 nan 0.000 0.437 428 G N -1.797 106.934 108.800 -0.115 0.000 2.387 428 G HA2 0.522 4.481 3.960 -0.001 0.000 0.294 428 G HA3 0.522 4.481 3.960 -0.001 0.000 0.294 428 G C -0.009 174.963 174.900 0.121 0.000 1.509 428 G CA -0.315 44.722 45.100 -0.105 0.000 0.806 428 G HN 0.290 nan 8.290 nan 0.000 0.546 429 G N -0.848 108.089 108.800 0.228 0.000 2.648 429 G HA2 0.437 4.396 3.960 -0.001 0.000 0.217 429 G HA3 0.437 4.396 3.960 -0.001 0.000 0.217 429 G C 0.361 175.350 174.900 0.148 0.000 1.386 429 G CA 0.345 45.577 45.100 0.220 0.000 0.920 429 G HN 0.711 nan 8.290 nan 0.000 0.540 430 I N 0.752 121.395 120.570 0.122 0.000 2.545 430 I HA 0.243 4.413 4.170 -0.001 0.000 0.292 430 I C -0.474 175.523 176.117 -0.199 0.000 1.040 430 I CA -0.652 60.634 61.300 -0.023 0.000 1.068 430 I CB 2.435 40.377 38.000 -0.096 0.000 1.251 430 I HN 0.005 nan 8.210 nan 0.000 0.424 431 T N 3.970 118.235 114.554 -0.482 0.000 2.831 431 T HA 0.099 4.448 4.350 -0.001 0.000 0.291 431 T C 0.012 174.383 174.700 -0.547 0.000 0.981 431 T CA 0.391 61.931 62.100 -0.934 0.000 1.174 431 T CB -0.154 68.152 68.868 -0.936 0.000 0.929 431 T HN 0.572 nan 8.240 nan 0.000 0.532 432 T N 4.967 119.324 114.554 -0.329 0.000 3.078 432 T HA 0.322 4.672 4.350 -0.001 0.000 0.328 432 T C -0.398 174.468 174.700 0.277 0.000 0.987 432 T CA -0.667 61.432 62.100 -0.003 0.000 1.049 432 T CB 0.087 69.006 68.868 0.084 0.000 1.011 432 T HN 0.284 nan 8.240 nan 0.000 0.463 433 F N 3.674 123.618 119.950 -0.010 0.000 2.529 433 F HA 0.290 4.817 4.527 -0.001 0.000 0.365 433 F C 1.753 177.645 175.800 0.153 0.000 1.102 433 F CA -0.983 57.013 58.000 -0.007 0.000 1.271 433 F CB 0.106 38.894 39.000 -0.354 0.000 1.120 433 F HN 0.463 nan 8.300 nan 0.000 0.579 434 T N 1.398 116.145 114.554 0.321 0.000 2.862 434 T HA 0.438 4.788 4.350 -0.001 0.000 0.276 434 T C -2.725 172.141 174.700 0.277 0.000 0.974 434 T CA -2.425 59.832 62.100 0.260 0.000 0.966 434 T CB 1.131 70.091 68.868 0.153 0.000 1.072 434 T HN 0.146 nan 8.240 nan 0.000 0.538 435 P HA 0.031 nan 4.420 nan 0.000 0.263 435 P C -0.335 177.160 177.300 0.325 0.000 1.175 435 P CA 0.576 63.836 63.100 0.267 0.000 0.761 435 P CB -0.265 31.598 31.700 0.271 0.000 0.794 436 Y N -0.378 119.985 120.300 0.105 0.000 4.779 436 Y HA -0.328 4.221 4.550 -0.001 0.000 0.284 436 Y C 1.885 177.740 175.900 -0.075 0.000 0.973 436 Y CA 1.376 59.474 58.100 -0.003 0.000 1.792 436 Y CB -2.144 36.240 38.460 -0.127 0.000 1.120 436 Y HN 0.455 nan 8.280 nan 0.000 0.450 437 Q N -0.618 119.217 119.800 0.058 0.000 2.167 437 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 437 Q C 1.592 177.471 176.000 -0.203 0.000 0.970 437 Q CA 1.683 57.351 55.803 -0.226 0.000 0.855 437 Q CB -0.284 28.226 28.738 -0.381 0.000 0.911 437 Q HN 0.572 nan 8.270 nan 0.000 0.438 438 F N 1.902 121.977 119.950 0.209 0.000 2.075 438 F HA -0.231 4.296 4.527 -0.001 0.000 0.297 438 F C 2.707 178.619 175.800 0.187 0.000 1.113 438 F CA 1.838 60.066 58.000 0.379 0.000 1.218 438 F CB -0.364 38.859 39.000 0.371 0.000 0.984 438 F HN 0.163 nan 8.300 nan 0.000 0.472 439 Q N -1.267 118.713 119.800 0.299 0.000 2.245 439 Q HA -0.205 4.135 4.340 -0.001 0.000 0.201 439 Q C 1.651 177.725 176.000 0.124 0.000 0.955 439 Q CA 1.793 57.706 55.803 0.182 0.000 0.870 439 Q CB -0.675 28.139 28.738 0.127 0.000 0.945 439 Q HN 0.470 nan 8.270 nan 0.000 0.461 440 H N -0.734 118.257 119.070 -0.132 0.000 2.486 440 H HA 0.121 4.677 4.556 -0.001 0.000 0.287 440 H C 0.484 175.624 175.328 -0.314 0.000 1.010 440 H CA 0.817 56.658 56.048 -0.345 0.000 1.324 440 H CB 0.345 29.693 29.762 -0.689 0.000 1.446 440 H HN 0.230 nan 8.280 nan 0.000 0.537 441 F N -1.166 118.705 119.950 -0.132 0.000 2.727 441 F HA 0.256 4.782 4.527 -0.001 0.000 0.302 441 F C 2.373 178.122 175.800 -0.085 0.000 1.107 441 F CA 0.181 58.041 58.000 -0.233 0.000 1.277 441 F CB -0.246 38.531 39.000 -0.372 0.000 1.079 441 F HN -0.005 nan 8.300 nan 0.000 0.594 442 S N 0.537 116.366 115.700 0.215 0.000 2.359 442 S HA -0.213 4.257 4.470 -0.001 0.000 0.223 442 S C 1.612 176.321 174.600 0.181 0.000 1.039 442 S CA 2.018 60.384 58.200 0.278 0.000 1.042 442 S CB -0.284 63.124 63.200 0.348 0.000 0.915 442 S HN 0.310 nan 8.310 nan 0.000 0.439 443 D N 0.941 121.419 120.400 0.129 0.000 2.097 443 D HA -0.019 4.620 4.640 -0.001 0.000 0.195 443 D C -0.655 175.674 176.300 0.049 0.000 0.989 443 D CA 1.077 55.129 54.000 0.086 0.000 0.827 443 D CB -1.755 39.085 40.800 0.067 0.000 0.966 443 D HN 0.316 nan 8.370 nan 0.000 0.456 444 P HA -0.048 nan 4.420 nan 0.000 0.218 444 P C 1.628 178.892 177.300 -0.060 0.000 1.149 444 P CA 0.743 63.829 63.100 -0.024 0.000 0.817 444 P CB 0.048 31.731 31.700 -0.027 0.000 0.785 445 L N -1.208 120.021 121.223 0.010 0.000 2.131 445 L HA -0.083 4.257 4.340 -0.001 0.000 0.206 445 L C 2.344 179.221 176.870 0.012 0.000 1.087 445 L CA 1.998 56.864 54.840 0.043 0.000 0.767 445 L CB -1.417 40.767 42.059 0.209 0.000 0.917 445 L HN 0.113 nan 8.230 nan 0.000 0.441 446 T N -2.479 112.102 114.554 0.046 0.000 3.067 446 T HA 0.210 4.560 4.350 -0.001 0.000 0.261 446 T C 0.977 175.725 174.700 0.079 0.000 1.110 446 T CA 0.248 62.386 62.100 0.063 0.000 1.113 446 T CB -0.220 68.697 68.868 0.082 0.000 0.917 446 T HN 0.185 nan 8.240 nan 0.000 0.499 447 A N 2.392 125.231 122.820 0.032 0.000 2.498 447 A HA 0.516 4.835 4.320 -0.001 0.000 0.239 447 A C 0.836 178.451 177.584 0.051 0.000 1.068 447 A CA -0.236 51.816 52.037 0.023 0.000 0.766 447 A CB -0.022 18.970 19.000 -0.015 0.000 1.003 447 A HN 0.708 nan 8.150 nan 0.000 0.497 448 S N 1.340 117.038 115.700 -0.003 0.000 2.672 448 S HA 0.592 5.061 4.470 -0.001 0.000 0.276 448 S C -0.334 174.220 174.600 -0.076 0.000 1.207 448 S CA -0.609 57.525 58.200 -0.111 0.000 1.002 448 S CB 1.327 64.129 63.200 -0.664 0.000 0.998 448 S HN 0.798 nan 8.310 nan 0.000 0.542 449 Q N 0.451 120.226 119.800 -0.043 0.000 2.414 449 Q HA 0.493 4.833 4.340 -0.001 0.000 0.256 449 Q C 0.543 176.534 176.000 -0.016 0.000 0.974 449 Q CA 0.173 55.974 55.803 -0.005 0.000 0.723 449 Q CB 0.410 29.180 28.738 0.053 0.000 1.281 449 Q HN 1.315 nan 8.270 nan 0.000 0.470 450 G N 3.316 112.099 108.800 -0.028 0.000 2.565 450 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.295 450 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.295 450 G C 0.264 175.184 174.900 0.034 0.000 1.165 450 G CA 0.313 45.423 45.100 0.016 0.000 0.977 450 G HN 0.660 nan 8.290 nan 0.000 0.546 451 R N 0.155 120.714 120.500 0.099 0.000 2.388 451 R HA 0.418 4.758 4.340 -0.001 0.000 0.247 451 R C 0.392 176.865 176.300 0.288 0.000 0.931 451 R CA -0.024 56.233 56.100 0.262 0.000 1.082 451 R CB 0.101 30.446 30.300 0.076 0.000 1.135 451 R HN 0.417 nan 8.270 nan 0.000 0.525 452 I N 1.247 121.867 120.570 0.083 0.000 2.330 452 I HA 0.245 4.414 4.170 -0.001 0.000 0.289 452 I C -0.665 175.356 176.117 -0.160 0.000 1.001 452 I CA -0.782 60.536 61.300 0.030 0.000 1.193 452 I CB 0.748 38.783 38.000 0.058 0.000 1.345 452 I HN -0.073 nan 8.210 nan 0.000 0.461 453 Y N 5.556 125.751 120.300 -0.175 0.000 2.567 453 Y HA 0.619 5.169 4.550 -0.001 0.000 0.333 453 Y C -0.448 175.204 175.900 -0.413 0.000 1.106 453 Y CA -0.805 57.228 58.100 -0.112 0.000 1.157 453 Y CB 1.506 39.939 38.460 -0.045 0.000 1.277 453 Y HN 0.265 nan 8.280 nan 0.000 0.490 454 F N 0.445 120.499 119.950 0.173 0.000 2.565 454 F HA 0.813 5.339 4.527 -0.001 0.000 0.313 454 F C -0.062 175.755 175.800 0.029 0.000 1.091 454 F CA -0.866 57.198 58.000 0.107 0.000 0.915 454 F CB 1.897 40.954 39.000 0.095 0.000 1.208 454 F HN 0.531 nan 8.300 nan 0.000 0.453 455 A N 1.164 124.066 122.820 0.137 0.000 2.569 455 A HA 0.998 5.317 4.320 -0.001 0.000 0.290 455 A C -0.401 177.150 177.584 -0.056 0.000 1.136 455 A CA -0.371 51.667 52.037 0.001 0.000 0.710 455 A CB 1.700 20.700 19.000 0.000 0.000 1.303 455 A HN 1.743 nan 8.150 nan 0.000 0.413 456 G N -0.862 107.878 108.800 -0.100 0.000 2.362 456 G HA2 0.273 4.233 3.960 -0.001 0.000 0.656 456 G HA3 0.273 4.233 3.960 -0.001 0.000 0.656 456 G C 0.298 175.139 174.900 -0.098 0.000 1.376 456 G CA 0.387 45.456 45.100 -0.051 0.000 0.971 456 G HN 1.178 nan 8.290 nan 0.000 0.636 457 E N -0.638 119.583 120.200 0.034 0.000 2.086 457 E HA -0.306 4.044 4.350 -0.001 0.000 0.200 457 E C 2.091 178.738 176.600 0.079 0.000 1.012 457 E CA 2.646 59.085 56.400 0.064 0.000 0.812 457 E CB -0.313 29.433 29.700 0.077 0.000 0.743 457 E HN 0.880 nan 8.360 nan 0.000 0.453 458 Y N 0.295 120.624 120.300 0.048 0.000 2.483 458 Y HA -0.049 4.501 4.550 -0.001 0.000 0.291 458 Y C 2.127 178.127 175.900 0.167 0.000 1.143 458 Y CA 1.365 59.471 58.100 0.011 0.000 1.289 458 Y CB -0.868 37.626 38.460 0.056 0.000 0.983 458 Y HN 0.062 nan 8.280 nan 0.000 0.556 459 T N -2.203 112.097 114.554 -0.423 0.000 3.040 459 T HA 0.541 4.891 4.350 -0.001 0.000 0.250 459 T C 0.899 175.579 174.700 -0.034 0.000 1.058 459 T CA 0.022 61.980 62.100 -0.237 0.000 0.988 459 T CB -0.512 68.143 68.868 -0.354 0.000 0.993 459 T HN 0.473 nan 8.240 nan 0.000 0.519 460 A N 1.297 124.117 122.820 -0.001 0.000 2.366 460 A HA 0.399 4.719 4.320 -0.001 0.000 0.249 460 A C 1.343 178.934 177.584 0.011 0.000 1.084 460 A CA -0.461 51.581 52.037 0.009 0.000 0.794 460 A CB 0.324 19.335 19.000 0.018 0.000 1.034 460 A HN 0.445 nan 8.150 nan 0.000 0.491 461 Q N -0.371 119.426 119.800 -0.005 0.000 2.297 461 Q HA 0.078 4.417 4.340 -0.001 0.000 0.204 461 Q C 0.509 176.451 176.000 -0.098 0.000 0.962 461 Q CA 1.174 56.978 55.803 0.001 0.000 0.879 461 Q CB -0.003 28.751 28.738 0.027 0.000 0.947 461 Q HN 0.784 nan 8.270 nan 0.000 0.462 462 A N 0.525 123.270 122.820 -0.124 0.000 2.371 462 A HA 0.524 4.843 4.320 -0.001 0.000 0.311 462 A C -1.281 176.241 177.584 -0.102 0.000 1.068 462 A CA -0.815 51.143 52.037 -0.132 0.000 0.744 462 A CB 0.824 19.848 19.000 0.041 0.000 1.239 462 A HN 0.132 nan 8.150 nan 0.000 0.435 463 H N 0.287 119.398 119.070 0.069 0.000 2.479 463 H HA 0.562 5.117 4.556 -0.001 0.000 0.335 463 H C 1.125 176.396 175.328 -0.096 0.000 1.142 463 H CA 0.208 56.225 56.048 -0.052 0.000 1.234 463 H CB 1.570 31.217 29.762 -0.192 0.000 1.503 463 H HN 1.548 nan 8.280 nan 0.000 0.510 464 G N 1.278 110.021 108.800 -0.095 0.000 2.132 464 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.234 464 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.234 464 G C -0.738 173.661 174.900 -0.836 0.000 0.989 464 G CA -0.231 44.600 45.100 -0.448 0.000 0.676 464 G HN 0.574 nan 8.290 nan 0.000 0.522 465 W N -1.170 120.155 121.300 0.042 0.000 2.957 465 W HA 0.666 5.326 4.660 -0.001 0.000 0.336 465 W C 1.181 177.689 176.519 -0.019 0.000 1.087 465 W CA -1.201 56.169 57.345 0.041 0.000 1.235 465 W CB 0.750 30.250 29.460 0.065 0.000 1.399 465 W HN -0.062 nan 8.180 nan 0.000 0.480 466 I N 0.985 121.691 120.570 0.226 0.000 2.208 466 I HA -0.316 3.853 4.170 -0.001 0.000 0.245 466 I C 2.031 178.196 176.117 0.081 0.000 1.097 466 I CA 1.892 63.260 61.300 0.113 0.000 1.363 466 I CB -0.212 37.853 38.000 0.109 0.000 1.051 466 I HN 0.584 nan 8.210 nan 0.000 0.413 467 D N 0.187 120.625 120.400 0.064 0.000 2.106 467 D HA -0.249 4.391 4.640 -0.001 0.000 0.191 467 D C 2.306 178.574 176.300 -0.052 0.000 0.997 467 D CA 1.872 55.839 54.000 -0.056 0.000 0.834 467 D CB 0.008 40.578 40.800 -0.383 0.000 0.956 467 D HN 0.115 nan 8.370 nan 0.000 0.448 468 S N -1.725 113.931 115.700 -0.073 0.000 2.402 468 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 468 S C 1.938 176.528 174.600 -0.017 0.000 1.021 468 S CA 1.698 59.880 58.200 -0.029 0.000 0.974 468 S CB -0.490 62.713 63.200 0.005 0.000 0.800 468 S HN 0.323 nan 8.310 nan 0.000 0.484 469 T N 2.284 116.842 114.554 0.008 0.000 2.737 469 T HA 0.053 4.402 4.350 -0.001 0.000 0.265 469 T C 1.683 176.361 174.700 -0.037 0.000 1.038 469 T CA 1.390 63.485 62.100 -0.008 0.000 1.144 469 T CB -0.323 68.551 68.868 0.009 0.000 0.866 469 T HN 0.377 nan 8.240 nan 0.000 0.434 470 I N 0.764 121.317 120.570 -0.028 0.000 2.163 470 I HA -0.206 3.964 4.170 -0.001 0.000 0.243 470 I C 2.693 178.762 176.117 -0.080 0.000 1.085 470 I CA 1.348 62.623 61.300 -0.042 0.000 1.347 470 I CB -0.297 37.704 38.000 0.002 0.000 1.044 470 I HN 0.177 nan 8.210 nan 0.000 0.408 471 K N 0.751 121.084 120.400 -0.112 0.000 2.103 471 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 471 K C 2.334 178.708 176.600 -0.376 0.000 1.048 471 K CA 1.905 58.019 56.287 -0.288 0.000 0.930 471 K CB -0.063 32.292 32.500 -0.242 0.000 0.716 471 K HN 0.424 nan 8.250 nan 0.000 0.444 472 S N -0.561 115.013 115.700 -0.209 0.000 2.382 472 S HA -0.099 4.371 4.470 -0.001 0.000 0.228 472 S C 2.122 176.639 174.600 -0.137 0.000 1.027 472 S CA 1.214 59.314 58.200 -0.167 0.000 0.991 472 S CB -0.602 62.536 63.200 -0.104 0.000 0.823 472 S HN 0.412 nan 8.310 nan 0.000 0.469 473 G N 1.798 110.532 108.800 -0.111 0.000 2.394 473 G HA2 0.051 4.010 3.960 -0.001 0.000 0.215 473 G HA3 0.051 4.010 3.960 -0.001 0.000 0.215 473 G C 1.477 176.337 174.900 -0.066 0.000 1.165 473 G CA 0.730 45.788 45.100 -0.070 0.000 0.784 473 G HN 0.507 nan 8.290 nan 0.000 0.535 474 L N -0.064 121.102 121.223 -0.094 0.000 2.083 474 L HA -0.022 4.317 4.340 -0.001 0.000 0.209 474 L C 2.901 179.788 176.870 0.027 0.000 1.083 474 L CA 1.124 55.960 54.840 -0.007 0.000 0.752 474 L CB -0.381 41.698 42.059 0.033 0.000 0.899 474 L HN 0.197 nan 8.230 nan 0.000 0.433 475 R N 0.658 121.033 120.500 -0.207 0.000 2.073 475 R HA -0.173 4.167 4.340 -0.001 0.000 0.234 475 R C 2.341 178.680 176.300 0.065 0.000 1.134 475 R CA 1.537 57.624 56.100 -0.022 0.000 0.952 475 R CB -0.233 29.955 30.300 -0.187 0.000 0.850 475 R HN 0.313 nan 8.270 nan 0.000 0.433 476 A N 0.749 123.571 122.820 0.003 0.000 1.933 476 A HA -0.071 4.248 4.320 -0.001 0.000 0.218 476 A C 2.348 179.843 177.584 -0.148 0.000 1.175 476 A CA 1.619 53.651 52.037 -0.008 0.000 0.628 476 A CB -0.670 18.340 19.000 0.016 0.000 0.814 476 A HN 0.558 nan 8.150 nan 0.000 0.444 477 A N -0.334 122.427 122.820 -0.099 0.000 1.898 477 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 477 A C 2.250 179.753 177.584 -0.135 0.000 1.181 477 A CA 1.686 53.641 52.037 -0.138 0.000 0.620 477 A CB -0.480 18.492 19.000 -0.047 0.000 0.819 477 A HN 0.550 nan 8.150 nan 0.000 0.442 478 R N -0.350 120.144 120.500 -0.011 0.000 2.081 478 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 478 R C 1.330 177.590 176.300 -0.067 0.000 1.131 478 R CA 1.776 57.881 56.100 0.009 0.000 0.960 478 R CB -0.309 30.071 30.300 0.133 0.000 0.856 478 R HN 0.442 nan 8.270 nan 0.000 0.436 479 D N -0.159 120.196 120.400 -0.076 0.000 2.144 479 D HA -0.123 4.516 4.640 -0.001 0.000 0.199 479 D C 1.906 177.999 176.300 -0.346 0.000 0.984 479 D CA 1.048 54.990 54.000 -0.095 0.000 0.834 479 D CB -0.060 40.781 40.800 0.067 0.000 0.955 479 D HN 0.112 nan 8.370 nan 0.000 0.465 480 V N 1.188 120.718 119.914 -0.639 0.000 2.379 480 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 480 V C 2.203 177.915 176.094 -0.637 0.000 1.044 480 V CA 1.489 63.227 62.300 -0.937 0.000 1.036 480 V CB -0.533 30.714 31.823 -0.959 0.000 0.664 480 V HN 0.124 nan 8.190 nan 0.000 0.453 481 N N 0.257 118.719 118.700 -0.395 0.000 2.120 481 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 481 N C 1.657 177.105 175.510 -0.102 0.000 1.024 481 N CA 1.543 54.475 53.050 -0.198 0.000 0.852 481 N CB -0.252 38.198 38.487 -0.062 0.000 1.003 481 N HN 0.438 nan 8.380 nan 0.000 0.424 482 L N -0.495 120.663 121.223 -0.109 0.000 2.093 482 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 482 L C 2.356 179.205 176.870 -0.035 0.000 1.085 482 L CA 1.082 55.895 54.840 -0.046 0.000 0.755 482 L CB -0.558 41.486 42.059 -0.025 0.000 0.904 482 L HN 0.202 nan 8.230 nan 0.000 0.435 483 A N 0.178 122.939 122.820 -0.098 0.000 1.969 483 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 483 A C 2.512 180.126 177.584 0.050 0.000 1.169 483 A CA 1.745 53.768 52.037 -0.023 0.000 0.635 483 A CB -0.573 18.380 19.000 -0.077 0.000 0.810 483 A HN 0.519 nan 8.150 nan 0.000 0.445 484 S N 0.661 116.346 115.700 -0.025 0.000 2.423 484 S HA -0.179 4.291 4.470 -0.001 0.000 0.231 484 S C 1.505 176.183 174.600 0.130 0.000 1.014 484 S CA 1.253 59.536 58.200 0.139 0.000 0.965 484 S CB -0.502 62.802 63.200 0.173 0.000 0.785 484 S HN 0.774 nan 8.310 nan 0.000 0.495 485 E N 1.346 121.594 120.200 0.080 0.000 2.230 485 E HA 0.076 4.425 4.350 -0.001 0.000 0.192 485 E C 0.977 177.615 176.600 0.064 0.000 0.987 485 E CA 0.162 56.601 56.400 0.065 0.000 0.841 485 E CB -0.349 29.376 29.700 0.042 0.000 0.783 485 E HN 0.615 nan 8.360 nan 0.000 0.481 486 N N 0.000 118.743 118.700 0.071 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 486 N CA 0.000 53.093 53.050 0.072 0.000 0.885 486 N CB 0.000 38.534 38.487 0.079 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667