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_C 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 0.000 176.197 176.300 -0.172 0.000 0.893 4 R CA 0.000 56.108 56.100 0.013 0.000 0.921 4 R CB 0.000 30.267 30.300 -0.056 0.000 0.687 5 N N 3.234 121.494 118.700 -0.732 0.000 2.440 5 N HA 0.096 4.836 4.740 -0.000 0.000 0.265 5 N C -1.028 174.291 175.510 -0.318 0.000 1.239 5 N CA -1.347 51.173 53.050 -0.884 0.000 0.909 5 N CB 1.551 39.274 38.487 -1.275 0.000 1.066 5 N HN 0.487 nan 8.380 nan 0.000 0.474 6 P HA -0.102 nan 4.420 nan 0.000 0.225 6 P C 0.766 178.003 177.300 -0.105 0.000 1.148 6 P CA 1.070 64.116 63.100 -0.089 0.000 0.779 6 P CB 0.374 32.055 31.700 -0.032 0.000 0.780 7 L N -1.537 119.620 121.223 -0.111 0.000 2.640 7 L HA 0.258 4.598 4.340 -0.000 0.000 0.230 7 L C 2.508 179.274 176.870 -0.175 0.000 1.123 7 L CA 0.203 54.965 54.840 -0.132 0.000 0.900 7 L CB -0.661 41.389 42.059 -0.015 0.000 1.146 7 L HN -0.140 nan 8.230 nan 0.000 0.484 8 A N 0.968 123.706 122.820 -0.137 0.000 1.915 8 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 8 A C 2.137 179.635 177.584 -0.143 0.000 1.198 8 A CA 2.202 54.172 52.037 -0.111 0.000 0.647 8 A CB -0.429 18.471 19.000 -0.167 0.000 0.825 8 A HN 0.493 nan 8.150 nan 0.000 0.456 9 E N -1.129 118.967 120.200 -0.172 0.000 2.130 9 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 9 E C 1.930 178.387 176.600 -0.238 0.000 0.998 9 E CA 1.431 57.730 56.400 -0.168 0.000 0.806 9 E CB -0.411 29.205 29.700 -0.140 0.000 0.738 9 E HN 0.748 nan 8.360 nan 0.000 0.459 10 c N -0.041 118.308 118.600 -0.418 0.000 2.472 10 c HA -0.031 4.539 4.570 -0.000 0.000 0.278 10 c C 1.051 174.715 174.090 -0.709 0.000 1.447 10 c CA -0.048 55.914 56.329 -0.612 0.000 1.773 10 c CB -0.934 41.058 42.510 -0.864 0.000 1.793 10 c HN 0.222 nan 8.230 nan 0.000 0.544 11 F N 0.900 120.770 119.950 -0.133 0.000 2.923 11 F HA 0.304 4.831 4.527 -0.000 0.000 0.314 11 F C 0.674 176.382 175.800 -0.154 0.000 1.196 11 F CA -0.395 57.517 58.000 -0.147 0.000 1.320 11 F CB -0.624 38.282 39.000 -0.157 0.000 0.953 11 F HN 0.261 nan 8.300 nan 0.000 0.505 12 Q N 0.577 120.353 119.800 -0.039 0.000 2.230 12 Q HA 0.268 4.608 4.340 -0.000 0.000 0.253 12 Q C 0.015 175.982 176.000 -0.055 0.000 0.919 12 Q CA -0.839 54.913 55.803 -0.084 0.000 0.908 12 Q CB 1.761 30.450 28.738 -0.083 0.000 1.245 12 Q HN 0.143 nan 8.270 nan 0.000 0.437 13 E N 1.927 122.069 120.200 -0.096 0.000 2.344 13 E HA -0.002 4.348 4.350 -0.000 0.000 0.270 13 E C -0.376 176.305 176.600 0.135 0.000 1.021 13 E CA -0.135 56.283 56.400 0.031 0.000 0.887 13 E CB 0.501 30.266 29.700 0.108 0.000 0.997 13 E HN 0.435 nan 8.360 nan 0.000 0.429 14 N N 2.455 121.240 118.700 0.142 0.000 2.458 14 N HA -0.105 4.635 4.740 -0.000 0.000 0.258 14 N C -0.550 175.125 175.510 0.275 0.000 1.219 14 N CA 0.281 53.431 53.050 0.166 0.000 0.902 14 N CB 0.329 38.905 38.487 0.148 0.000 1.076 14 N HN 0.272 nan 8.380 nan 0.000 0.455 15 D N 1.434 121.955 120.400 0.201 0.000 2.792 15 D HA -0.278 4.362 4.640 -0.000 0.000 0.231 15 D C 0.289 176.748 176.300 0.265 0.000 1.160 15 D CA 0.518 54.612 54.000 0.158 0.000 0.697 15 D CB -1.415 39.424 40.800 0.064 0.000 1.070 15 D HN 0.596 nan 8.370 nan 0.000 0.426 16 Y N 0.096 120.489 120.300 0.155 0.000 2.151 16 Y HA -0.264 4.285 4.550 -0.000 0.000 0.284 16 Y C 2.569 178.531 175.900 0.104 0.000 1.166 16 Y CA 3.189 61.384 58.100 0.159 0.000 1.163 16 Y CB -0.317 38.185 38.460 0.071 0.000 0.974 16 Y HN 0.309 nan 8.280 nan 0.000 0.511 17 E N 0.054 120.320 120.200 0.110 0.000 2.085 17 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 17 E C 2.041 178.581 176.600 -0.100 0.000 0.994 17 E CA 2.132 58.526 56.400 -0.010 0.000 0.801 17 E CB -1.430 28.278 29.700 0.013 0.000 0.743 17 E HN 0.709 nan 8.360 nan 0.000 0.453 18 E N -0.415 119.699 120.200 -0.143 0.000 2.077 18 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 18 E C 1.839 178.240 176.600 -0.331 0.000 0.989 18 E CA 1.267 57.505 56.400 -0.270 0.000 0.800 18 E CB -0.796 28.666 29.700 -0.397 0.000 0.746 18 E HN 0.652 nan 8.360 nan 0.000 0.452 19 F N -0.265 119.614 119.950 -0.118 0.000 2.325 19 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 19 F C 2.192 177.863 175.800 -0.215 0.000 1.090 19 F CA 0.945 58.860 58.000 -0.141 0.000 1.392 19 F CB -0.166 38.754 39.000 -0.133 0.000 1.053 19 F HN 0.272 nan 8.300 nan 0.000 0.521 20 L N 0.383 121.502 121.223 -0.174 0.000 2.141 20 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 20 L C 2.223 179.000 176.870 -0.156 0.000 1.094 20 L CA 1.760 56.458 54.840 -0.237 0.000 0.763 20 L CB -0.950 40.931 42.059 -0.296 0.000 0.908 20 L HN 0.048 nan 8.230 nan 0.000 0.437 21 E N 0.131 120.253 120.200 -0.130 0.000 2.077 21 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 21 E C 2.104 178.650 176.600 -0.091 0.000 0.989 21 E CA 1.796 58.130 56.400 -0.110 0.000 0.800 21 E CB -0.403 29.232 29.700 -0.109 0.000 0.746 21 E HN 0.624 nan 8.360 nan 0.000 0.452 22 I N 0.196 120.727 120.570 -0.065 0.000 2.315 22 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 22 I C 2.299 178.421 176.117 0.007 0.000 1.117 22 I CA 0.968 62.266 61.300 -0.003 0.000 1.404 22 I CB -0.361 37.681 38.000 0.070 0.000 1.071 22 I HN 0.172 nan 8.210 nan 0.000 0.419 23 A N 0.809 123.597 122.820 -0.053 0.000 1.933 23 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 23 A C 2.399 179.759 177.584 -0.373 0.000 1.175 23 A CA 1.412 53.294 52.037 -0.258 0.000 0.628 23 A CB -0.447 18.337 19.000 -0.360 0.000 0.814 23 A HN 0.309 nan 8.150 nan 0.000 0.444 24 R N -0.658 119.698 120.500 -0.240 0.000 2.057 24 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 24 R C 0.658 176.882 176.300 -0.127 0.000 1.136 24 R CA 1.412 57.390 56.100 -0.203 0.000 0.952 24 R CB -0.144 30.065 30.300 -0.151 0.000 0.848 24 R HN 0.471 nan 8.270 nan 0.000 0.430 25 N N -0.426 118.224 118.700 -0.083 0.000 2.177 25 N HA 0.137 4.877 4.740 -0.000 0.000 0.218 25 N C 0.211 175.709 175.510 -0.019 0.000 1.182 25 N CA 0.713 53.734 53.050 -0.049 0.000 0.882 25 N CB 1.658 40.115 38.487 -0.051 0.000 1.052 25 N HN 0.301 nan 8.380 nan 0.000 0.519 26 G N 1.144 109.948 108.800 0.007 0.000 2.828 26 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.463 26 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.463 26 G C -0.466 174.447 174.900 0.022 0.000 1.394 26 G CA -0.673 44.453 45.100 0.043 0.000 0.862 26 G HN 0.153 nan 8.290 nan 0.000 0.540 27 L N 0.567 121.811 121.223 0.035 0.000 2.475 27 L HA 0.621 4.961 4.340 -0.000 0.000 0.253 27 L C 1.605 178.476 176.870 0.001 0.000 1.198 27 L CA -0.093 54.758 54.840 0.020 0.000 0.814 27 L CB 0.229 42.313 42.059 0.041 0.000 1.134 27 L HN 1.107 nan 8.230 nan 0.000 0.478 28 K N 1.604 122.000 120.400 -0.007 0.000 2.412 28 K HA 0.537 4.857 4.320 -0.000 0.000 0.284 28 K C 0.190 176.784 176.600 -0.010 0.000 1.046 28 K CA 0.138 56.417 56.287 -0.014 0.000 0.999 28 K CB -0.154 32.336 32.500 -0.018 0.000 0.941 28 K HN 0.716 nan 8.250 nan 0.000 0.474 29 A N 2.549 125.354 122.820 -0.025 0.000 2.587 29 A HA 0.330 4.650 4.320 -0.000 0.000 0.235 29 A C 0.853 178.405 177.584 -0.054 0.000 1.044 29 A CA 0.920 52.931 52.037 -0.043 0.000 0.754 29 A CB -0.180 18.791 19.000 -0.048 0.000 0.968 29 A HN 0.979 nan 8.150 nan 0.000 0.509 30 T N 1.060 115.550 114.554 -0.107 0.000 2.910 30 T HA 0.517 4.867 4.350 -0.000 0.000 0.293 30 T C 1.120 175.753 174.700 -0.112 0.000 1.015 30 T CA 0.268 62.291 62.100 -0.128 0.000 1.094 30 T CB 0.700 69.354 68.868 -0.357 0.000 0.968 30 T HN 1.153 nan 8.240 nan 0.000 0.521 31 S N 2.926 118.587 115.700 -0.064 0.000 2.554 31 S HA 0.325 4.795 4.470 -0.000 0.000 0.226 31 S C 0.644 175.223 174.600 -0.035 0.000 0.980 31 S CA -0.423 57.750 58.200 -0.045 0.000 0.939 31 S CB -0.066 63.120 63.200 -0.023 0.000 0.832 31 S HN 0.612 nan 8.310 nan 0.000 0.486 32 N N 1.590 120.265 118.700 -0.042 0.000 2.751 32 N HA 0.344 5.084 4.740 -0.000 0.000 0.234 32 N C -3.453 172.054 175.510 -0.006 0.000 1.403 32 N CA -1.296 51.752 53.050 -0.002 0.000 0.747 32 N CB 1.269 39.783 38.487 0.044 0.000 1.326 32 N HN -0.138 nan 8.380 nan 0.000 0.532 33 P HA 0.050 nan 4.420 nan 0.000 0.262 33 P C -0.535 176.853 177.300 0.147 0.000 1.182 33 P CA 0.426 63.477 63.100 -0.082 0.000 0.761 33 P CB 0.588 32.242 31.700 -0.076 0.000 0.795 34 K N 1.790 122.443 120.400 0.422 0.000 2.352 34 K HA 0.410 4.730 4.320 -0.000 0.000 0.240 34 K C -0.687 176.129 176.600 0.360 0.000 1.017 34 K CA -0.883 55.634 56.287 0.383 0.000 0.851 34 K CB 1.175 33.937 32.500 0.437 0.000 1.261 34 K HN 0.459 nan 8.250 nan 0.000 0.451 35 H N 0.664 119.829 119.070 0.157 0.000 2.519 35 H HA 0.453 5.009 4.556 -0.000 0.000 0.316 35 H C -1.259 174.133 175.328 0.107 0.000 1.065 35 H CA -0.644 55.468 56.048 0.106 0.000 1.264 35 H CB 0.381 30.181 29.762 0.064 0.000 1.413 35 H HN 0.120 nan 8.280 nan 0.000 0.465 36 V N 6.428 126.413 119.914 0.118 0.000 2.540 36 V HA 0.296 4.416 4.120 -0.000 0.000 0.302 36 V C -0.305 175.719 176.094 -0.117 0.000 1.035 36 V CA -0.929 61.353 62.300 -0.031 0.000 0.873 36 V CB 1.838 33.645 31.823 -0.026 0.000 0.992 36 V HN 0.556 nan 8.190 nan 0.000 0.428 37 V N 5.709 125.527 119.914 -0.160 0.000 2.427 37 V HA 0.484 4.604 4.120 -0.000 0.000 0.286 37 V C -0.245 175.805 176.094 -0.073 0.000 1.034 37 V CA -0.468 61.752 62.300 -0.133 0.000 0.893 37 V CB 1.694 33.423 31.823 -0.158 0.000 0.982 37 V HN 0.581 nan 8.190 nan 0.000 0.452 38 I N 5.482 126.015 120.570 -0.061 0.000 2.362 38 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 38 I C -0.146 175.933 176.117 -0.063 0.000 0.994 38 I CA -0.552 60.717 61.300 -0.050 0.000 1.158 38 I CB 1.725 39.704 38.000 -0.035 0.000 1.315 38 I HN 0.236 nan 8.210 nan 0.000 0.451 39 V N 5.453 125.337 119.914 -0.049 0.000 2.334 39 V HA 0.741 4.861 4.120 -0.000 0.000 0.267 39 V C 0.593 176.673 176.094 -0.024 0.000 1.040 39 V CA -0.269 62.004 62.300 -0.046 0.000 0.866 39 V CB 0.490 32.300 31.823 -0.021 0.000 1.019 39 V HN 1.068 nan 8.190 nan 0.000 0.468 40 G N 4.173 112.942 108.800 -0.052 0.000 3.233 40 G HA2 0.282 4.242 3.960 -0.000 0.000 0.686 40 G HA3 0.282 4.242 3.960 -0.000 0.000 0.686 40 G C -0.222 174.654 174.900 -0.040 0.000 1.153 40 G CA -0.352 44.725 45.100 -0.038 0.000 0.853 40 G HN 1.431 nan 8.290 nan 0.000 0.582 41 A N 1.764 124.555 122.820 -0.049 0.000 3.159 41 A HA 0.784 5.104 4.320 -0.000 0.000 0.301 41 A C 1.300 178.878 177.584 -0.010 0.000 1.271 41 A CA 1.048 53.063 52.037 -0.036 0.000 0.998 41 A CB -0.229 18.735 19.000 -0.060 0.000 1.101 41 A HN 2.085 nan 8.150 nan 0.000 0.610 42 G N -1.138 107.660 108.800 -0.003 0.000 2.525 42 G HA2 0.418 4.378 3.960 -0.000 0.000 0.287 42 G HA3 0.418 4.378 3.960 -0.000 0.000 0.287 42 G C 0.963 175.855 174.900 -0.013 0.000 1.350 42 G CA -0.491 44.610 45.100 0.001 0.000 1.039 42 G HN 0.108 nan 8.290 nan 0.000 0.513 43 M N 0.094 119.681 119.600 -0.021 0.000 2.213 43 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 43 M C 2.820 179.092 176.300 -0.045 0.000 1.062 43 M CA 1.456 56.730 55.300 -0.043 0.000 1.105 43 M CB -1.599 30.978 32.600 -0.038 0.000 1.385 43 M HN 0.590 nan 8.290 nan 0.000 0.417 44 A N 0.085 122.892 122.820 -0.021 0.000 1.855 44 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 44 A C 2.453 180.027 177.584 -0.016 0.000 1.191 44 A CA 1.975 54.000 52.037 -0.020 0.000 0.613 44 A CB -1.429 17.570 19.000 -0.001 0.000 0.829 44 A HN 0.486 nan 8.150 nan 0.000 0.442 45 G N -0.366 108.431 108.800 -0.006 0.000 2.402 45 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 45 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 45 G C 1.566 176.463 174.900 -0.005 0.000 1.162 45 G CA 0.951 46.047 45.100 -0.006 0.000 0.777 45 G HN 0.406 nan 8.290 nan 0.000 0.539 46 L N 0.755 121.972 121.223 -0.011 0.000 2.083 46 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 46 L C 3.183 180.057 176.870 0.008 0.000 1.083 46 L CA 1.134 55.976 54.840 0.002 0.000 0.752 46 L CB -0.296 41.750 42.059 -0.022 0.000 0.899 46 L HN 0.183 nan 8.230 nan 0.000 0.433 47 S N -0.184 115.486 115.700 -0.050 0.000 2.355 47 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 47 S C 2.199 176.833 174.600 0.057 0.000 1.031 47 S CA 1.136 59.298 58.200 -0.063 0.000 0.993 47 S CB -0.246 62.881 63.200 -0.121 0.000 0.859 47 S HN 0.492 nan 8.310 nan 0.000 0.453 48 A N 1.647 124.483 122.820 0.027 0.000 1.902 48 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 48 A C 2.349 179.958 177.584 0.042 0.000 1.181 48 A CA 1.772 53.824 52.037 0.025 0.000 0.623 48 A CB -1.109 17.884 19.000 -0.012 0.000 0.818 48 A HN 0.511 nan 8.150 nan 0.000 0.443 49 A N -1.618 121.232 122.820 0.049 0.000 1.902 49 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 49 A C 2.144 179.785 177.584 0.095 0.000 1.181 49 A CA 1.636 53.706 52.037 0.055 0.000 0.623 49 A CB -0.851 18.177 19.000 0.047 0.000 0.818 49 A HN 0.706 nan 8.150 nan 0.000 0.443 50 Y N 1.127 121.439 120.300 0.020 0.000 2.128 50 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 50 Y C 2.491 178.441 175.900 0.084 0.000 1.154 50 Y CA 2.607 60.742 58.100 0.057 0.000 1.149 50 Y CB -0.235 38.265 38.460 0.067 0.000 0.976 50 Y HN 0.203 nan 8.280 nan 0.000 0.505 51 V N -1.853 118.182 119.914 0.202 0.000 2.591 51 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 51 V C 2.101 178.224 176.094 0.047 0.000 1.053 51 V CA 1.659 64.033 62.300 0.123 0.000 1.068 51 V CB -0.951 30.991 31.823 0.199 0.000 0.689 51 V HN 0.447 nan 8.190 nan 0.000 0.462 52 L N 0.619 121.870 121.223 0.046 0.000 2.109 52 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 52 L C 2.999 179.926 176.870 0.095 0.000 1.086 52 L CA 1.482 56.361 54.840 0.066 0.000 0.760 52 L CB -0.749 41.303 42.059 -0.011 0.000 0.910 52 L HN 0.419 nan 8.230 nan 0.000 0.437 53 A N 0.249 123.077 122.820 0.014 0.000 1.898 53 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 53 A C 2.377 179.920 177.584 -0.070 0.000 1.181 53 A CA 1.586 53.611 52.037 -0.020 0.000 0.620 53 A CB -1.192 17.770 19.000 -0.063 0.000 0.819 53 A HN 0.422 nan 8.150 nan 0.000 0.442 54 G N -0.608 108.107 108.800 -0.140 0.000 2.432 54 G HA2 0.047 4.007 3.960 -0.000 0.000 0.219 54 G HA3 0.047 4.007 3.960 -0.000 0.000 0.219 54 G C 1.536 176.395 174.900 -0.068 0.000 1.135 54 G CA 1.191 46.202 45.100 -0.148 0.000 0.767 54 G HN 0.812 nan 8.290 nan 0.000 0.550 55 A N -0.569 122.241 122.820 -0.016 0.000 2.167 55 A HA 0.450 4.770 4.320 -0.000 0.000 0.214 55 A C 2.018 179.551 177.584 -0.084 0.000 1.151 55 A CA 1.507 53.541 52.037 -0.004 0.000 0.735 55 A CB -0.296 18.761 19.000 0.095 0.000 0.802 55 A HN 1.562 nan 8.150 nan 0.000 0.467 56 G N -2.121 106.630 108.800 -0.082 0.000 2.192 56 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 56 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 56 G C 0.020 174.816 174.900 -0.172 0.000 0.999 56 G CA 0.162 45.176 45.100 -0.142 0.000 0.659 56 G HN 0.691 nan 8.290 nan 0.000 0.503 57 H N 0.273 119.338 119.070 -0.008 0.000 2.546 57 H HA 0.583 5.139 4.556 -0.000 0.000 0.365 57 H C 0.531 175.875 175.328 0.028 0.000 1.220 57 H CA 0.153 56.213 56.048 0.019 0.000 1.386 57 H CB 0.762 30.540 29.762 0.027 0.000 1.510 57 H HN 0.217 nan 8.280 nan 0.000 0.591 58 Q N 2.213 122.134 119.800 0.202 0.000 2.322 58 Q HA 0.344 4.684 4.340 -0.000 0.000 0.256 58 Q C -1.128 175.017 176.000 0.242 0.000 0.960 58 Q CA -0.789 55.094 55.803 0.133 0.000 0.934 58 Q CB 0.602 29.354 28.738 0.023 0.000 1.200 58 Q HN 0.537 nan 8.270 nan 0.000 0.435 59 V N 1.417 121.430 119.914 0.165 0.000 2.628 59 V HA 0.742 4.862 4.120 -0.000 0.000 0.306 59 V C -0.600 175.591 176.094 0.161 0.000 1.045 59 V CA -0.443 61.952 62.300 0.158 0.000 0.905 59 V CB 2.067 33.937 31.823 0.078 0.000 0.997 59 V HN 0.676 nan 8.190 nan 0.000 0.436 60 T N 4.072 118.719 114.554 0.154 0.000 2.906 60 T HA 0.557 4.907 4.350 -0.000 0.000 0.302 60 T C -0.537 174.184 174.700 0.035 0.000 1.002 60 T CA -0.313 61.871 62.100 0.141 0.000 0.988 60 T CB 1.292 70.273 68.868 0.188 0.000 0.972 60 T HN 0.733 nan 8.240 nan 0.000 0.447 61 V N 5.377 125.304 119.914 0.023 0.000 2.394 61 V HA 0.479 4.599 4.120 -0.000 0.000 0.282 61 V C -0.205 175.820 176.094 -0.116 0.000 1.031 61 V CA -0.773 61.492 62.300 -0.058 0.000 0.881 61 V CB 1.231 33.008 31.823 -0.077 0.000 0.982 61 V HN 0.727 nan 8.190 nan 0.000 0.451 62 L N 4.444 125.559 121.223 -0.180 0.000 2.294 62 L HA 0.610 4.950 4.340 -0.000 0.000 0.283 62 L C -0.334 176.406 176.870 -0.217 0.000 1.015 62 L CA -0.438 54.235 54.840 -0.279 0.000 0.831 62 L CB 1.636 43.462 42.059 -0.389 0.000 1.217 62 L HN 0.610 nan 8.230 nan 0.000 0.420 63 E N 2.266 122.330 120.200 -0.227 0.000 2.158 63 E HA 0.501 4.851 4.350 -0.000 0.000 0.271 63 E C 0.367 176.888 176.600 -0.132 0.000 0.911 63 E CA -0.301 56.000 56.400 -0.164 0.000 0.767 63 E CB 2.061 31.673 29.700 -0.146 0.000 1.120 63 E HN 0.563 nan 8.360 nan 0.000 0.405 64 A N 3.677 126.366 122.820 -0.220 0.000 1.902 64 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 64 A C 1.287 178.679 177.584 -0.320 0.000 1.181 64 A CA 1.571 53.436 52.037 -0.286 0.000 0.623 64 A CB -0.772 17.946 19.000 -0.470 0.000 0.818 64 A HN 0.705 nan 8.150 nan 0.000 0.443 65 S N -0.283 115.140 115.700 -0.461 0.000 2.652 65 S HA 0.267 4.737 4.470 -0.000 0.000 0.267 65 S C 0.771 175.369 174.600 -0.003 0.000 1.201 65 S CA 0.272 58.350 58.200 -0.202 0.000 0.996 65 S CB 0.556 63.651 63.200 -0.176 0.000 1.054 65 S HN 0.486 nan 8.310 nan 0.000 0.561 66 E N 0.237 120.400 120.200 -0.061 0.000 2.465 66 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 66 E C 0.381 176.565 176.600 -0.693 0.000 1.053 66 E CA -0.223 56.044 56.400 -0.221 0.000 0.869 66 E CB -0.279 29.327 29.700 -0.157 0.000 0.977 66 E HN 0.757 nan 8.360 nan 0.000 0.483 67 R N 0.006 120.196 120.500 -0.517 0.000 2.799 67 R HA 0.635 4.975 4.340 -0.000 0.000 0.270 67 R C -3.052 173.127 176.300 -0.202 0.000 1.010 67 R CA -1.901 53.817 56.100 -0.636 0.000 0.916 67 R CB 1.509 31.604 30.300 -0.342 0.000 1.228 67 R HN -0.209 nan 8.270 nan 0.000 0.469 68 P HA 0.295 nan 4.420 nan 0.000 0.287 68 P C 0.050 177.332 177.300 -0.031 0.000 1.270 68 P CA 0.198 63.301 63.100 0.004 0.000 0.844 68 P CB 1.863 33.516 31.700 -0.079 0.000 1.068 69 G N 0.307 109.104 108.800 -0.004 0.000 2.428 69 G HA2 0.010 3.970 3.960 -0.000 0.000 0.199 69 G HA3 0.010 3.970 3.960 -0.000 0.000 0.199 69 G C 0.686 175.595 174.900 0.014 0.000 1.005 69 G CA 0.416 45.513 45.100 -0.004 0.000 0.671 69 G HN 0.900 nan 8.290 nan 0.000 0.485 70 G N 0.595 109.418 108.800 0.037 0.000 2.629 70 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.313 70 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.313 70 G C 0.989 175.946 174.900 0.096 0.000 1.217 70 G CA 1.502 46.642 45.100 0.067 0.000 0.994 70 G HN 1.073 nan 8.290 nan 0.000 0.549 71 R N -0.192 120.290 120.500 -0.029 0.000 2.280 71 R HA 0.205 4.544 4.340 -0.000 0.000 0.207 71 R C 0.863 177.053 176.300 -0.182 0.000 1.043 71 R CA 0.627 56.555 56.100 -0.286 0.000 1.006 71 R CB -0.051 29.925 30.300 -0.540 0.000 0.885 71 R HN 0.243 nan 8.270 nan 0.000 0.467 72 V N 2.346 122.228 119.914 -0.053 0.000 2.352 72 V HA 0.155 4.275 4.120 -0.000 0.000 0.253 72 V C 0.100 176.231 176.094 0.062 0.000 1.083 72 V CA 0.022 62.315 62.300 -0.011 0.000 0.993 72 V CB 0.303 32.115 31.823 -0.018 0.000 1.111 72 V HN 0.151 nan 8.190 nan 0.000 0.490 73 R N 2.993 123.579 120.500 0.144 0.000 2.621 73 R HA 0.646 4.986 4.340 -0.000 0.000 0.284 73 R C -1.033 175.353 176.300 0.143 0.000 0.998 73 R CA -0.396 55.805 56.100 0.169 0.000 0.895 73 R CB 2.171 32.658 30.300 0.312 0.000 1.195 73 R HN 0.575 nan 8.270 nan 0.000 0.450 74 T N 3.404 118.000 114.554 0.071 0.000 2.841 74 T HA 0.197 4.547 4.350 -0.000 0.000 0.285 74 T C -1.452 173.279 174.700 0.053 0.000 0.991 74 T CA -0.393 61.746 62.100 0.065 0.000 0.966 74 T CB 0.682 69.528 68.868 -0.036 0.000 0.962 74 T HN 0.435 nan 8.240 nan 0.000 0.438 75 Y N 3.844 124.120 120.300 -0.041 0.000 2.336 75 Y HA 0.522 5.071 4.550 -0.000 0.000 0.335 75 Y C 0.298 176.118 175.900 -0.132 0.000 1.046 75 Y CA -0.444 57.593 58.100 -0.105 0.000 1.198 75 Y CB 0.489 38.863 38.460 -0.143 0.000 1.182 75 Y HN 0.495 nan 8.280 nan 0.000 0.502 76 R N 4.313 124.424 120.500 -0.648 0.000 2.670 76 R HA 0.290 4.630 4.340 -0.000 0.000 0.289 76 R C -1.145 174.665 176.300 -0.818 0.000 0.965 76 R CA -1.036 54.733 56.100 -0.551 0.000 0.899 76 R CB 1.346 31.449 30.300 -0.329 0.000 1.173 76 R HN 0.588 nan 8.270 nan 0.000 0.456 77 N N 2.014 120.217 118.700 -0.829 0.000 2.804 77 N HA 0.053 4.793 4.740 -0.000 0.000 0.251 77 N C 0.611 175.818 175.510 -0.504 0.000 1.250 77 N CA 0.337 52.934 53.050 -0.754 0.000 0.820 77 N CB 1.278 39.085 38.487 -1.134 0.000 1.156 77 N HN 0.823 nan 8.380 nan 0.000 0.512 78 E N 1.881 121.882 120.200 -0.331 0.000 2.065 78 E HA -0.252 4.098 4.350 -0.000 0.000 0.201 78 E C 1.276 177.786 176.600 -0.150 0.000 1.016 78 E CA 1.472 57.750 56.400 -0.203 0.000 0.818 78 E CB -0.593 29.014 29.700 -0.155 0.000 0.749 78 E HN 0.628 nan 8.360 nan 0.000 0.453 79 E N -0.012 120.109 120.200 -0.132 0.000 2.023 79 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 79 E C 2.387 178.968 176.600 -0.032 0.000 1.003 79 E CA 1.430 57.791 56.400 -0.066 0.000 0.809 79 E CB -0.556 29.116 29.700 -0.047 0.000 0.755 79 E HN 0.510 nan 8.360 nan 0.000 0.449 80 A N -0.179 122.620 122.820 -0.036 0.000 2.178 80 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 80 A C 1.571 179.228 177.584 0.122 0.000 1.157 80 A CA 1.497 53.603 52.037 0.115 0.000 0.689 80 A CB -0.642 18.550 19.000 0.320 0.000 0.787 80 A HN 0.432 nan 8.150 nan 0.000 0.465 81 G N -1.828 106.932 108.800 -0.067 0.000 2.225 81 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 81 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 81 G C -0.107 174.637 174.900 -0.259 0.000 1.060 81 G CA 0.403 45.455 45.100 -0.080 0.000 0.833 81 G HN 1.419 nan 8.290 nan 0.000 0.498 82 W N -1.622 119.382 121.300 -0.494 0.000 3.025 82 W HA 0.743 5.403 4.660 -0.000 0.000 0.343 82 W C -0.729 175.560 176.519 -0.382 0.000 1.246 82 W CA -1.565 55.144 57.345 -1.060 0.000 1.178 82 W CB 0.669 29.611 29.460 -0.864 0.000 1.463 82 W HN 0.565 nan 8.180 nan 0.000 0.578 83 Y N -0.279 120.097 120.300 0.126 0.000 2.644 83 Y HA 0.873 5.423 4.550 -0.000 0.000 0.338 83 Y C -1.580 174.679 175.900 0.598 0.000 1.119 83 Y CA -1.951 56.295 58.100 0.244 0.000 1.060 83 Y CB 1.246 39.790 38.460 0.141 0.000 1.294 83 Y HN 0.843 nan 8.280 nan 0.000 0.472 84 A N 1.771 124.997 122.820 0.677 0.000 2.437 84 A HA 0.502 4.822 4.320 -0.000 0.000 0.293 84 A C -1.843 175.921 177.584 0.300 0.000 1.038 84 A CA -1.040 51.242 52.037 0.408 0.000 0.708 84 A CB 0.698 19.648 19.000 -0.082 0.000 1.251 84 A HN 0.864 nan 8.150 nan 0.000 0.409 85 N N 2.183 121.130 118.700 0.412 0.000 2.405 85 N HA 0.270 5.010 4.740 -0.000 0.000 0.260 85 N C 0.954 176.641 175.510 0.295 0.000 1.152 85 N CA -0.339 52.893 53.050 0.303 0.000 0.948 85 N CB 0.747 39.416 38.487 0.303 0.000 1.111 85 N HN 0.648 nan 8.380 nan 0.000 0.485 86 L N 1.160 122.529 121.223 0.243 0.000 2.240 86 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 86 L C 1.717 178.947 176.870 0.600 0.000 1.106 86 L CA 0.640 55.703 54.840 0.371 0.000 0.793 86 L CB -0.264 41.942 42.059 0.245 0.000 0.927 86 L HN 0.616 nan 8.230 nan 0.000 0.446 87 G N -0.611 108.438 108.800 0.416 0.000 2.887 87 G HA2 0.262 4.222 3.960 -0.000 0.000 0.210 87 G HA3 0.262 4.222 3.960 -0.000 0.000 0.210 87 G C -2.334 172.525 174.900 -0.068 0.000 1.964 87 G CA -0.194 44.979 45.100 0.121 0.000 0.738 87 G HN -0.002 nan 8.290 nan 0.000 0.790 88 P HA 0.167 nan 4.420 nan 0.000 0.265 88 P C 0.369 177.625 177.300 -0.073 0.000 1.187 88 P CA 0.851 63.880 63.100 -0.119 0.000 0.766 88 P CB 0.668 32.323 31.700 -0.075 0.000 0.820 89 M N 1.328 120.841 119.600 -0.145 0.000 2.163 89 M HA 0.270 4.749 4.480 -0.000 0.000 0.356 89 M C -0.140 175.965 176.300 -0.326 0.000 0.863 89 M CA -0.084 55.120 55.300 -0.161 0.000 1.113 89 M CB 0.943 33.412 32.600 -0.219 0.000 2.038 89 M HN 0.128 nan 8.290 nan 0.000 0.691 90 R N 0.979 121.311 120.500 -0.279 0.000 2.680 90 R HA 0.810 5.150 4.340 -0.000 0.000 0.269 90 R C -1.999 174.393 176.300 0.153 0.000 1.026 90 R CA -0.891 55.085 56.100 -0.206 0.000 0.889 90 R CB 1.690 31.620 30.300 -0.616 0.000 1.241 90 R HN 0.242 nan 8.270 nan 0.000 0.463 91 L N 1.356 122.682 121.223 0.172 0.000 2.406 91 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 91 L C -2.523 174.238 176.870 -0.182 0.000 0.980 91 L CA -2.521 52.387 54.840 0.113 0.000 0.831 91 L CB 2.537 44.658 42.059 0.103 0.000 1.253 91 L HN 0.399 nan 8.230 nan 0.000 0.406 92 P HA 0.028 nan 4.420 nan 0.000 0.271 92 P C 0.415 177.303 177.300 -0.686 0.000 1.216 92 P CA -0.149 62.231 63.100 -1.199 0.000 0.776 92 P CB 0.876 31.639 31.700 -1.562 0.000 0.881 93 E N 3.021 122.867 120.200 -0.590 0.000 2.204 93 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 93 E C 1.849 178.309 176.600 -0.233 0.000 0.990 93 E CA 1.619 57.836 56.400 -0.306 0.000 0.821 93 E CB -0.229 29.326 29.700 -0.242 0.000 0.750 93 E HN 0.329 nan 8.360 nan 0.000 0.477 94 K N 0.547 120.755 120.400 -0.320 0.000 2.439 94 K HA -0.064 4.256 4.320 -0.000 0.000 0.197 94 K C 0.255 176.843 176.600 -0.019 0.000 1.041 94 K CA 1.089 57.263 56.287 -0.188 0.000 0.970 94 K CB -0.907 31.443 32.500 -0.250 0.000 0.773 94 K HN 0.431 nan 8.250 nan 0.000 0.479 95 H N 1.207 120.175 119.070 -0.169 0.000 3.118 95 H HA 0.147 4.703 4.556 -0.000 0.000 0.266 95 H C 0.862 176.216 175.328 0.044 0.000 1.465 95 H CA -0.905 55.112 56.048 -0.051 0.000 1.460 95 H CB 0.654 30.361 29.762 -0.092 0.000 1.661 95 H HN 0.308 nan 8.280 nan 0.000 0.516 96 R N 2.275 122.926 120.500 0.252 0.000 2.148 96 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 96 R C 1.590 177.923 176.300 0.055 0.000 1.088 96 R CA 0.685 56.869 56.100 0.141 0.000 0.985 96 R CB 0.043 30.440 30.300 0.162 0.000 0.880 96 R HN 0.562 nan 8.270 nan 0.000 0.451 97 I N 0.619 121.229 120.570 0.067 0.000 2.233 97 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 97 I C 2.557 178.737 176.117 0.105 0.000 1.093 97 I CA 0.900 62.197 61.300 -0.005 0.000 1.380 97 I CB -0.298 37.685 38.000 -0.027 0.000 1.067 97 I HN -0.047 nan 8.210 nan 0.000 0.413 98 V N 1.206 121.209 119.914 0.149 0.000 2.427 98 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 98 V C 2.559 178.740 176.094 0.145 0.000 1.051 98 V CA 1.839 64.250 62.300 0.186 0.000 1.048 98 V CB -0.455 31.466 31.823 0.164 0.000 0.666 98 V HN 0.337 nan 8.190 nan 0.000 0.456 99 R N -0.234 120.321 120.500 0.091 0.000 2.115 99 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 99 R C 2.235 178.529 176.300 -0.011 0.000 1.111 99 R CA 1.531 57.659 56.100 0.046 0.000 0.976 99 R CB -0.237 30.080 30.300 0.029 0.000 0.870 99 R HN 0.632 nan 8.270 nan 0.000 0.445 100 E N -0.007 120.152 120.200 -0.069 0.000 2.072 100 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 100 E C 1.247 177.670 176.600 -0.296 0.000 0.985 100 E CA 1.498 57.776 56.400 -0.204 0.000 0.801 100 E CB -0.220 29.296 29.700 -0.308 0.000 0.750 100 E HN 0.331 nan 8.360 nan 0.000 0.452 101 Y N 0.207 120.416 120.300 -0.152 0.000 2.293 101 Y HA 0.009 4.559 4.550 -0.000 0.000 0.291 101 Y C 2.168 177.959 175.900 -0.182 0.000 1.137 101 Y CA 1.123 59.053 58.100 -0.283 0.000 1.202 101 Y CB -0.161 38.233 38.460 -0.110 0.000 0.990 101 Y HN 0.081 nan 8.280 nan 0.000 0.537 102 I N -0.350 120.292 120.570 0.120 0.000 2.226 102 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 102 I C 2.791 178.941 176.117 0.054 0.000 1.100 102 I CA 1.609 62.988 61.300 0.133 0.000 1.374 102 I CB -0.482 37.580 38.000 0.103 0.000 1.057 102 I HN 0.207 nan 8.210 nan 0.000 0.413 103 R N 1.062 121.546 120.500 -0.027 0.000 2.073 103 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 103 R C 2.145 178.388 176.300 -0.096 0.000 1.120 103 R CA 1.665 57.736 56.100 -0.047 0.000 0.967 103 R CB -1.130 29.130 30.300 -0.067 0.000 0.862 103 R HN 0.351 nan 8.270 nan 0.000 0.436 104 K N -0.898 119.362 120.400 -0.233 0.000 2.103 104 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 104 K C 0.844 177.271 176.600 -0.290 0.000 1.048 104 K CA 1.737 57.814 56.287 -0.350 0.000 0.930 104 K CB -0.181 31.944 32.500 -0.625 0.000 0.716 104 K HN 0.432 nan 8.250 nan 0.000 0.444 105 F N 0.869 120.840 119.950 0.036 0.000 2.692 105 F HA 0.128 4.655 4.527 -0.000 0.000 0.303 105 F C 0.122 175.936 175.800 0.023 0.000 1.114 105 F CA -0.020 57.999 58.000 0.032 0.000 1.361 105 F CB -0.295 38.719 39.000 0.024 0.000 1.063 105 F HN 0.139 nan 8.300 nan 0.000 0.550 106 D N 0.579 121.058 120.400 0.131 0.000 2.837 106 D HA -0.196 4.444 4.640 -0.000 0.000 0.230 106 D C -0.176 176.179 176.300 0.091 0.000 1.152 106 D CA 0.328 54.381 54.000 0.088 0.000 0.736 106 D CB -0.904 39.945 40.800 0.081 0.000 1.084 106 D HN 0.171 nan 8.370 nan 0.000 0.429 107 L N -0.217 121.071 121.223 0.108 0.000 2.439 107 L HA 0.563 4.903 4.340 -0.000 0.000 0.259 107 L C 1.206 178.115 176.870 0.066 0.000 1.129 107 L CA -0.725 54.167 54.840 0.088 0.000 0.803 107 L CB 0.850 42.972 42.059 0.106 0.000 1.161 107 L HN -0.056 nan 8.230 nan 0.000 0.462 108 R N 1.574 122.108 120.500 0.057 0.000 2.832 108 R HA 0.720 5.060 4.340 -0.000 0.000 0.271 108 R C -1.005 175.332 176.300 0.061 0.000 0.996 108 R CA -0.856 55.277 56.100 0.054 0.000 0.977 108 R CB 1.563 31.894 30.300 0.052 0.000 1.168 108 R HN 0.461 nan 8.270 nan 0.000 0.482 109 L N 0.944 122.205 121.223 0.063 0.000 2.333 109 L HA 0.496 4.836 4.340 -0.000 0.000 0.269 109 L C -0.330 176.593 176.870 0.088 0.000 1.010 109 L CA -1.018 53.869 54.840 0.078 0.000 0.818 109 L CB 1.824 43.924 42.059 0.068 0.000 1.306 109 L HN 0.573 nan 8.230 nan 0.000 0.430 110 N N 0.464 119.235 118.700 0.119 0.000 2.310 110 N HA 0.145 4.885 4.740 -0.000 0.000 0.292 110 N C -0.999 174.613 175.510 0.171 0.000 1.049 110 N CA -0.637 52.492 53.050 0.132 0.000 0.849 110 N CB 1.966 40.542 38.487 0.148 0.000 1.532 110 N HN 0.595 nan 8.380 nan 0.000 0.479 111 E N 2.712 122.999 120.200 0.145 0.000 2.452 111 E HA 0.015 4.365 4.350 -0.000 0.000 0.261 111 E C -1.155 175.583 176.600 0.231 0.000 0.987 111 E CA 0.092 56.596 56.400 0.174 0.000 0.926 111 E CB 0.354 30.125 29.700 0.117 0.000 0.934 111 E HN 0.443 nan 8.360 nan 0.000 0.452 112 F N 4.413 124.450 119.950 0.145 0.000 2.388 112 F HA 0.242 4.769 4.527 -0.000 0.000 0.358 112 F C -0.147 175.727 175.800 0.123 0.000 1.122 112 F CA -0.594 57.494 58.000 0.148 0.000 1.056 112 F CB 1.331 40.431 39.000 0.168 0.000 1.155 112 F HN 0.355 nan 8.300 nan 0.000 0.461 113 S N 4.567 120.150 115.700 -0.197 0.000 2.510 113 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 113 S C 0.851 175.419 174.600 -0.054 0.000 1.284 113 S CA -0.454 57.694 58.200 -0.087 0.000 1.059 113 S CB 0.775 63.907 63.200 -0.114 0.000 0.901 113 S HN 0.806 nan 8.310 nan 0.000 0.491 114 Q N 2.408 122.243 119.800 0.057 0.000 2.398 114 Q HA 0.244 4.584 4.340 -0.000 0.000 0.204 114 Q C 0.354 176.375 176.000 0.036 0.000 0.932 114 Q CA 0.639 56.479 55.803 0.062 0.000 0.916 114 Q CB 0.257 28.991 28.738 -0.007 0.000 1.024 114 Q HN 0.889 nan 8.270 nan 0.000 0.504 115 E N -0.162 120.040 120.200 0.004 0.000 2.375 115 E HA 0.333 4.683 4.350 -0.000 0.000 0.280 115 E C -1.739 174.839 176.600 -0.038 0.000 0.972 115 E CA -0.359 56.031 56.400 -0.016 0.000 0.782 115 E CB 1.396 31.101 29.700 0.009 0.000 1.229 115 E HN 0.008 nan 8.360 nan 0.000 0.439 116 N N 2.584 121.244 118.700 -0.067 0.000 2.533 116 N HA 0.154 4.894 4.740 -0.000 0.000 0.289 116 N C -0.414 175.024 175.510 -0.120 0.000 1.103 116 N CA -0.429 52.567 53.050 -0.090 0.000 0.877 116 N CB 1.174 39.589 38.487 -0.120 0.000 1.419 116 N HN 0.400 nan 8.380 nan 0.000 0.517 117 D N 1.901 122.245 120.400 -0.094 0.000 2.265 117 D HA -0.139 4.500 4.640 -0.000 0.000 0.208 117 D C 0.500 176.682 176.300 -0.197 0.000 0.977 117 D CA 1.352 55.290 54.000 -0.104 0.000 0.871 117 D CB 0.079 40.838 40.800 -0.069 0.000 0.925 117 D HN 0.629 nan 8.370 nan 0.000 0.485 118 N N -0.175 118.379 118.700 -0.243 0.000 2.412 118 N HA 0.114 4.854 4.740 -0.000 0.000 0.184 118 N C 0.670 175.818 175.510 -0.602 0.000 1.101 118 N CA -0.106 52.717 53.050 -0.378 0.000 0.881 118 N CB 0.420 38.740 38.487 -0.279 0.000 0.969 118 N HN 0.056 nan 8.380 nan 0.000 0.459 119 A N 0.349 122.889 122.820 -0.466 0.000 2.262 119 A HA 0.391 4.711 4.320 -0.000 0.000 0.273 119 A C -0.724 176.528 177.584 -0.553 0.000 1.202 119 A CA 0.002 51.763 52.037 -0.460 0.000 0.811 119 A CB 0.201 19.069 19.000 -0.220 0.000 1.159 119 A HN 0.259 nan 8.150 nan 0.000 0.505 120 W N -3.070 118.160 121.300 -0.117 0.000 2.799 120 W HA 0.617 5.277 4.660 -0.000 0.000 0.349 120 W C -1.398 175.049 176.519 -0.121 0.000 1.100 120 W CA -0.141 57.160 57.345 -0.074 0.000 1.174 120 W CB 1.183 30.591 29.460 -0.087 0.000 1.427 120 W HN 0.504 nan 8.180 nan 0.000 0.547 121 Y N 1.557 122.064 120.300 0.344 0.000 2.350 121 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 121 Y C -0.958 175.092 175.900 0.250 0.000 0.961 121 Y CA -1.203 57.023 58.100 0.209 0.000 1.100 121 Y CB 1.376 39.919 38.460 0.138 0.000 1.179 121 Y HN 0.232 nan 8.280 nan 0.000 0.454 122 F N 6.064 126.118 119.950 0.173 0.000 2.676 122 F HA 0.583 5.110 4.527 -0.000 0.000 0.371 122 F C -1.728 174.099 175.800 0.044 0.000 1.141 122 F CA -0.835 57.204 58.000 0.065 0.000 1.133 122 F CB 0.241 39.228 39.000 -0.021 0.000 1.376 122 F HN 0.218 nan 8.300 nan 0.000 0.491 123 I N 5.203 125.643 120.570 -0.217 0.000 2.465 123 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 123 I C 0.238 176.161 176.117 -0.323 0.000 1.014 123 I CA -0.926 60.268 61.300 -0.176 0.000 1.093 123 I CB 1.899 39.892 38.000 -0.012 0.000 1.267 123 I HN 0.490 nan 8.210 nan 0.000 0.431 124 K N 4.376 124.607 120.400 -0.283 0.000 3.071 124 K HA -0.268 4.052 4.320 -0.000 0.000 0.262 124 K C 0.120 176.517 176.600 -0.339 0.000 0.977 124 K CA 0.940 57.065 56.287 -0.270 0.000 0.721 124 K CB -1.215 31.126 32.500 -0.265 0.000 1.293 124 K HN 0.838 nan 8.250 nan 0.000 0.475 125 N N -1.348 117.020 118.700 -0.552 0.000 2.753 125 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 125 N C -0.516 174.648 175.510 -0.577 0.000 1.097 125 N CA 1.237 53.900 53.050 -0.644 0.000 0.786 125 N CB -0.682 37.660 38.487 -0.240 0.000 1.137 125 N HN 0.402 nan 8.380 nan 0.000 0.566 126 I N 0.740 120.977 120.570 -0.554 0.000 2.336 126 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 126 I C 0.511 176.479 176.117 -0.249 0.000 0.991 126 I CA -0.532 60.593 61.300 -0.292 0.000 1.227 126 I CB 1.540 39.428 38.000 -0.187 0.000 1.366 126 I HN 0.072 nan 8.210 nan 0.000 0.466 127 R N 6.831 127.312 120.500 -0.031 0.000 2.310 127 R HA 0.477 4.817 4.340 -0.000 0.000 0.324 127 R C -1.263 175.193 176.300 0.260 0.000 0.955 127 R CA -0.603 55.610 56.100 0.187 0.000 0.830 127 R CB 0.778 31.219 30.300 0.236 0.000 1.154 127 R HN 0.478 nan 8.270 nan 0.000 0.458 128 K N 3.126 123.756 120.400 0.383 0.000 2.508 128 K HA 0.341 4.661 4.320 -0.000 0.000 0.260 128 K C -0.872 175.994 176.600 0.442 0.000 0.949 128 K CA -1.064 55.445 56.287 0.371 0.000 0.834 128 K CB 1.864 34.478 32.500 0.190 0.000 1.365 128 K HN 0.414 nan 8.250 nan 0.000 0.437 129 K N 1.097 121.615 120.400 0.197 0.000 2.319 129 K HA 0.088 4.408 4.320 -0.000 0.000 0.265 129 K C 1.319 177.969 176.600 0.083 0.000 1.000 129 K CA -0.045 56.172 56.287 -0.116 0.000 0.943 129 K CB 0.833 33.176 32.500 -0.262 0.000 0.950 129 K HN 0.263 nan 8.250 nan 0.000 0.485 130 V N 2.303 122.233 119.914 0.025 0.000 2.392 130 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 130 V C 2.249 178.421 176.094 0.130 0.000 1.059 130 V CA 2.456 64.872 62.300 0.193 0.000 1.051 130 V CB -0.716 31.099 31.823 -0.013 0.000 0.658 130 V HN 1.029 nan 8.190 nan 0.000 0.455 131 G N -0.510 108.294 108.800 0.006 0.000 2.422 131 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 131 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 131 G C 1.439 176.349 174.900 0.016 0.000 1.146 131 G CA 0.874 45.973 45.100 -0.001 0.000 0.769 131 G HN 0.595 nan 8.290 nan 0.000 0.547 132 E N -0.034 120.178 120.200 0.020 0.000 2.072 132 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 132 E C 2.694 179.304 176.600 0.018 0.000 0.985 132 E CA 0.905 57.319 56.400 0.023 0.000 0.801 132 E CB -0.147 29.575 29.700 0.037 0.000 0.750 132 E HN 0.303 nan 8.360 nan 0.000 0.452 133 V N 1.727 121.656 119.914 0.024 0.000 2.427 133 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 133 V C 2.054 178.128 176.094 -0.034 0.000 1.051 133 V CA 1.654 63.917 62.300 -0.062 0.000 1.048 133 V CB -0.377 31.280 31.823 -0.277 0.000 0.666 133 V HN 0.185 nan 8.190 nan 0.000 0.456 134 K N 0.546 120.963 120.400 0.028 0.000 2.097 134 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 134 K C 2.453 179.060 176.600 0.011 0.000 1.049 134 K CA 1.861 58.166 56.287 0.030 0.000 0.933 134 K CB -0.268 32.261 32.500 0.048 0.000 0.717 134 K HN 0.545 nan 8.250 nan 0.000 0.442 135 K N 0.985 121.390 120.400 0.008 0.000 2.243 135 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 135 K C 0.522 177.122 176.600 0.000 0.000 1.051 135 K CA 1.420 57.710 56.287 0.005 0.000 0.970 135 K CB 0.104 32.607 32.500 0.005 0.000 0.755 135 K HN 0.119 nan 8.250 nan 0.000 0.465 136 D N -1.022 119.374 120.400 -0.006 0.000 2.405 136 D HA 0.303 4.943 4.640 -0.000 0.000 0.264 136 D C -2.506 173.781 176.300 -0.023 0.000 1.240 136 D CA -2.173 51.822 54.000 -0.009 0.000 0.893 136 D CB 1.642 42.440 40.800 -0.004 0.000 1.198 136 D HN -0.090 nan 8.370 nan 0.000 0.514 137 P HA -0.022 nan 4.420 nan 0.000 0.219 137 P C 1.419 178.715 177.300 -0.008 0.000 1.146 137 P CA 0.943 64.020 63.100 -0.038 0.000 0.808 137 P CB 0.324 32.008 31.700 -0.026 0.000 0.779 138 G N -0.748 108.054 108.800 0.004 0.000 2.559 138 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 138 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 138 G C 1.298 176.200 174.900 0.003 0.000 1.126 138 G CA 0.116 45.226 45.100 0.017 0.000 0.778 138 G HN 0.171 nan 8.290 nan 0.000 0.543 139 L N 0.273 121.488 121.223 -0.013 0.000 2.187 139 L HA 0.070 4.410 4.340 -0.000 0.000 0.213 139 L C 2.506 179.352 176.870 -0.040 0.000 1.100 139 L CA 1.161 55.987 54.840 -0.024 0.000 0.765 139 L CB -0.253 41.792 42.059 -0.024 0.000 0.904 139 L HN 0.226 nan 8.230 nan 0.000 0.437 140 L N -0.875 120.331 121.223 -0.028 0.000 2.612 140 L HA 0.001 4.341 4.340 -0.000 0.000 0.230 140 L C 0.727 177.509 176.870 -0.147 0.000 1.140 140 L CA -0.018 54.789 54.840 -0.054 0.000 0.896 140 L CB -0.361 41.740 42.059 0.071 0.000 1.065 140 L HN 0.232 nan 8.230 nan 0.000 0.447 141 K N -0.483 119.873 120.400 -0.073 0.000 3.035 141 K HA -0.235 4.085 4.320 -0.000 0.000 0.262 141 K C -0.757 175.765 176.600 -0.131 0.000 1.024 141 K CA 0.592 56.821 56.287 -0.096 0.000 0.748 141 K CB -1.952 30.468 32.500 -0.132 0.000 1.247 141 K HN 0.202 nan 8.250 nan 0.000 0.482 142 Y N 0.689 120.967 120.300 -0.037 0.000 2.377 142 Y HA 0.157 4.707 4.550 -0.000 0.000 0.330 142 Y C -1.686 174.205 175.900 -0.015 0.000 1.108 142 Y CA -2.330 55.757 58.100 -0.022 0.000 1.308 142 Y CB 0.491 38.941 38.460 -0.015 0.000 1.216 142 Y HN -0.021 nan 8.280 nan 0.000 0.518 143 P HA 0.064 nan 4.420 nan 0.000 0.267 143 P C -0.918 176.427 177.300 0.076 0.000 1.328 143 P CA 0.216 63.355 63.100 0.064 0.000 0.990 143 P CB 0.167 31.890 31.700 0.038 0.000 1.168 144 V N 3.663 123.615 119.914 0.062 0.000 2.994 144 V HA 0.358 4.478 4.120 -0.000 0.000 0.318 144 V C 0.669 176.779 176.094 0.027 0.000 1.085 144 V CA -1.023 61.305 62.300 0.047 0.000 0.998 144 V CB 1.982 33.833 31.823 0.046 0.000 1.063 144 V HN 0.275 nan 8.190 nan 0.000 0.447 145 K N 2.836 123.246 120.400 0.018 0.000 2.202 145 K HA 0.246 4.566 4.320 -0.000 0.000 0.264 145 K C -1.483 175.123 176.600 0.009 0.000 1.010 145 K CA -1.278 55.015 56.287 0.010 0.000 0.940 145 K CB 0.704 33.206 32.500 0.004 0.000 0.983 145 K HN 0.429 nan 8.250 nan 0.000 0.475 146 P HA -0.234 nan 4.420 nan 0.000 0.217 146 P C 0.859 178.163 177.300 0.006 0.000 1.148 146 P CA 1.513 64.617 63.100 0.006 0.000 0.828 146 P CB 0.131 31.834 31.700 0.004 0.000 0.783 147 S N -0.411 115.292 115.700 0.004 0.000 2.453 147 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 147 S C 1.658 176.262 174.600 0.006 0.000 1.005 147 S CA 0.575 58.777 58.200 0.004 0.000 0.949 147 S CB -0.862 62.339 63.200 0.001 0.000 0.774 147 S HN 0.291 nan 8.310 nan 0.000 0.510 148 E N 1.439 121.643 120.200 0.007 0.000 2.472 148 E HA 0.406 4.756 4.350 -0.000 0.000 0.196 148 E C 0.714 177.321 176.600 0.012 0.000 1.033 148 E CA 0.105 56.510 56.400 0.010 0.000 0.886 148 E CB 0.114 29.820 29.700 0.010 0.000 0.944 148 E HN 0.638 nan 8.360 nan 0.000 0.492 149 A N 0.921 123.748 122.820 0.012 0.000 2.520 149 A HA 0.342 4.662 4.320 -0.000 0.000 0.235 149 A C 1.468 179.058 177.584 0.010 0.000 1.065 149 A CA 0.774 52.819 52.037 0.013 0.000 0.764 149 A CB -0.336 18.671 19.000 0.012 0.000 1.002 149 A HN 0.370 nan 8.150 nan 0.000 0.502 150 G N 0.973 109.779 108.800 0.010 0.000 2.184 150 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 150 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 150 G C 0.270 175.174 174.900 0.006 0.000 0.975 150 G CA 0.995 46.099 45.100 0.007 0.000 0.642 150 G HN 0.868 nan 8.290 nan 0.000 0.536 151 K N 0.968 121.372 120.400 0.007 0.000 2.123 151 K HA 0.571 4.891 4.320 -0.000 0.000 0.259 151 K C 0.783 177.383 176.600 -0.000 0.000 0.960 151 K CA 0.091 56.382 56.287 0.008 0.000 0.872 151 K CB 1.516 34.024 32.500 0.013 0.000 1.079 151 K HN 0.375 nan 8.250 nan 0.000 0.440 152 S N 0.659 116.362 115.700 0.004 0.000 2.632 152 S HA 0.225 4.695 4.470 -0.000 0.000 0.267 152 S C 1.274 175.875 174.600 0.001 0.000 1.276 152 S CA -0.245 57.952 58.200 -0.005 0.000 0.998 152 S CB 1.494 64.701 63.200 0.011 0.000 0.953 152 S HN 0.682 nan 8.310 nan 0.000 0.547 153 A N 2.105 124.914 122.820 -0.018 0.000 1.917 153 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 153 A C 2.219 179.842 177.584 0.064 0.000 1.182 153 A CA 1.999 54.032 52.037 -0.006 0.000 0.633 153 A CB -1.911 17.070 19.000 -0.031 0.000 0.819 153 A HN 1.206 nan 8.150 nan 0.000 0.448 154 G N -1.150 107.685 108.800 0.058 0.000 2.418 154 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 154 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 154 G C 1.620 176.589 174.900 0.115 0.000 1.158 154 G CA 1.042 46.190 45.100 0.080 0.000 0.771 154 G HN 0.659 nan 8.290 nan 0.000 0.545 155 Q N -0.305 119.540 119.800 0.076 0.000 2.046 155 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 155 Q C 2.686 178.738 176.000 0.087 0.000 0.975 155 Q CA 0.813 56.658 55.803 0.069 0.000 0.836 155 Q CB -0.259 28.504 28.738 0.041 0.000 0.896 155 Q HN 0.433 nan 8.270 nan 0.000 0.428 156 L N -0.528 120.745 121.223 0.083 0.000 2.079 156 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 156 L C 2.370 179.312 176.870 0.119 0.000 1.081 156 L CA 1.369 56.256 54.840 0.077 0.000 0.752 156 L CB -0.517 41.576 42.059 0.057 0.000 0.896 156 L HN 0.282 nan 8.230 nan 0.000 0.433 157 Y N 0.857 121.194 120.300 0.062 0.000 2.163 157 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 157 Y C 2.662 178.632 175.900 0.116 0.000 1.136 157 Y CA 1.545 59.707 58.100 0.104 0.000 1.147 157 Y CB 0.075 38.598 38.460 0.104 0.000 0.987 157 Y HN 0.074 nan 8.280 nan 0.000 0.509 158 E N 0.744 121.089 120.200 0.242 0.000 2.058 158 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 158 E C 2.057 178.691 176.600 0.057 0.000 0.997 158 E CA 1.776 58.270 56.400 0.156 0.000 0.801 158 E CB -0.401 29.390 29.700 0.150 0.000 0.746 158 E HN 0.660 nan 8.360 nan 0.000 0.450 159 E N 0.464 120.694 120.200 0.051 0.000 2.153 159 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 159 E C 1.952 178.557 176.600 0.008 0.000 0.988 159 E CA 1.221 57.639 56.400 0.030 0.000 0.811 159 E CB -0.086 29.631 29.700 0.028 0.000 0.746 159 E HN 0.218 nan 8.360 nan 0.000 0.466 160 S N 0.354 116.042 115.700 -0.019 0.000 2.474 160 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 160 S C 1.689 176.331 174.600 0.070 0.000 0.997 160 S CA 0.447 58.637 58.200 -0.018 0.000 0.949 160 S CB -0.062 63.108 63.200 -0.050 0.000 0.766 160 S HN 0.076 nan 8.310 nan 0.000 0.517 161 L N 2.038 123.272 121.223 0.019 0.000 2.610 161 L HA 0.303 4.643 4.340 -0.000 0.000 0.232 161 L C 2.457 179.355 176.870 0.046 0.000 1.149 161 L CA 0.707 55.567 54.840 0.033 0.000 0.872 161 L CB -1.115 40.927 42.059 -0.029 0.000 0.992 161 L HN 0.445 nan 8.230 nan 0.000 0.447 162 G N -0.289 108.539 108.800 0.047 0.000 2.513 162 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.219 162 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.219 162 G C 1.792 176.720 174.900 0.046 0.000 1.160 162 G CA 0.992 46.113 45.100 0.036 0.000 0.767 162 G HN 0.244 nan 8.290 nan 0.000 0.571 163 K N 0.007 120.452 120.400 0.076 0.000 2.020 163 K HA -0.078 4.242 4.320 -0.000 0.000 0.212 163 K C 2.683 179.341 176.600 0.097 0.000 1.050 163 K CA 1.359 57.708 56.287 0.103 0.000 0.929 163 K CB -0.743 31.839 32.500 0.137 0.000 0.714 163 K HN 0.222 nan 8.250 nan 0.000 0.443 164 V N -0.168 119.742 119.914 -0.006 0.000 2.343 164 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 164 V C 2.237 178.306 176.094 -0.040 0.000 1.051 164 V CA 1.728 63.919 62.300 -0.181 0.000 1.036 164 V CB -0.482 31.076 31.823 -0.442 0.000 0.654 164 V HN 0.090 nan 8.190 nan 0.000 0.451 165 V N -0.157 119.742 119.914 -0.024 0.000 2.295 165 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 165 V C 2.686 178.789 176.094 0.014 0.000 1.049 165 V CA 2.270 64.565 62.300 -0.008 0.000 1.024 165 V CB -0.730 31.094 31.823 0.001 0.000 0.648 165 V HN 0.603 nan 8.190 nan 0.000 0.447 166 E N -0.773 119.447 120.200 0.033 0.000 2.051 166 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 166 E C 2.182 178.817 176.600 0.057 0.000 0.991 166 E CA 1.278 57.702 56.400 0.040 0.000 0.799 166 E CB -0.369 29.359 29.700 0.047 0.000 0.748 166 E HN 0.780 nan 8.360 nan 0.000 0.449 167 E N 0.114 120.379 120.200 0.107 0.000 2.118 167 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 167 E C 1.984 178.655 176.600 0.118 0.000 0.992 167 E CA 1.007 57.505 56.400 0.163 0.000 0.804 167 E CB -0.388 29.513 29.700 0.335 0.000 0.741 167 E HN 0.281 nan 8.360 nan 0.000 0.458 168 L N 0.934 122.208 121.223 0.085 0.000 2.017 168 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 168 L C 1.878 178.750 176.870 0.003 0.000 1.073 168 L CA 1.936 56.799 54.840 0.038 0.000 0.745 168 L CB -0.384 41.669 42.059 -0.010 0.000 0.894 168 L HN -0.017 nan 8.230 nan 0.000 0.432 169 K N -0.870 119.529 120.400 -0.002 0.000 2.152 169 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 169 K C 2.260 178.847 176.600 -0.022 0.000 1.048 169 K CA 1.618 57.897 56.287 -0.014 0.000 0.933 169 K CB -0.115 32.381 32.500 -0.007 0.000 0.721 169 K HN 0.276 nan 8.250 nan 0.000 0.447 170 R N -0.180 120.308 120.500 -0.021 0.000 2.210 170 R HA -0.027 4.313 4.340 -0.000 0.000 0.203 170 R C 1.573 177.813 176.300 -0.099 0.000 1.010 170 R CA 1.276 57.347 56.100 -0.048 0.000 1.008 170 R CB 0.379 30.656 30.300 -0.038 0.000 0.923 170 R HN 0.338 nan 8.270 nan 0.000 0.469 171 T N -2.465 112.031 114.554 -0.096 0.000 1.812 171 T HA 0.306 4.656 4.350 -0.000 0.000 0.173 171 T C -0.551 174.113 174.700 -0.061 0.000 0.710 171 T CA -0.391 61.615 62.100 -0.157 0.000 1.065 171 T CB 0.221 68.880 68.868 -0.348 0.000 3.214 171 T HN 0.209 nan 8.240 nan 0.000 0.403 172 N N -1.773 116.929 118.700 0.004 0.000 3.116 172 N HA 0.379 5.119 4.740 -0.000 0.000 0.244 172 N C 0.333 175.869 175.510 0.043 0.000 1.485 172 N CA -0.455 52.604 53.050 0.015 0.000 0.884 172 N CB 0.539 39.033 38.487 0.011 0.000 1.415 172 N HN 0.464 nan 8.380 nan 0.000 0.524 173 c N -0.216 118.373 118.600 -0.019 0.000 2.413 173 c HA -0.142 4.428 4.570 -0.000 0.000 0.276 173 c C 2.871 176.944 174.090 -0.028 0.000 1.236 173 c CA 1.896 58.183 56.329 -0.069 0.000 1.735 173 c CB -1.510 40.919 42.510 -0.135 0.000 2.031 173 c HN 0.896 nan 8.230 nan 0.000 0.474 174 S N -0.407 115.297 115.700 0.008 0.000 2.400 174 S HA -0.269 4.201 4.470 -0.000 0.000 0.232 174 S C 1.754 176.388 174.600 0.058 0.000 1.025 174 S CA 1.805 60.020 58.200 0.024 0.000 0.993 174 S CB -0.927 62.297 63.200 0.040 0.000 0.808 174 S HN 0.710 nan 8.310 nan 0.000 0.478 175 Y N 3.242 123.533 120.300 -0.013 0.000 2.163 175 Y HA -0.002 4.548 4.550 -0.000 0.000 0.288 175 Y C 2.158 178.063 175.900 0.009 0.000 1.136 175 Y CA 1.736 59.835 58.100 -0.002 0.000 1.147 175 Y CB -0.377 38.085 38.460 0.002 0.000 0.987 175 Y HN 0.440 nan 8.280 nan 0.000 0.509 176 I N -2.621 118.045 120.570 0.159 0.000 2.439 176 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 176 I C 1.757 177.945 176.117 0.119 0.000 1.139 176 I CA 1.048 62.461 61.300 0.189 0.000 1.438 176 I CB -0.544 37.620 38.000 0.274 0.000 1.085 176 I HN 0.161 nan 8.210 nan 0.000 0.427 177 L N 1.848 123.073 121.223 0.003 0.000 2.056 177 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 177 L C 2.386 179.230 176.870 -0.044 0.000 1.078 177 L CA 1.934 56.750 54.840 -0.040 0.000 0.749 177 L CB -1.443 40.562 42.059 -0.090 0.000 0.901 177 L HN 0.437 nan 8.230 nan 0.000 0.433 178 N N -0.455 118.194 118.700 -0.085 0.000 2.135 178 N HA -0.218 4.521 4.740 -0.000 0.000 0.186 178 N C 1.929 177.318 175.510 -0.202 0.000 1.027 178 N CA 1.365 54.345 53.050 -0.116 0.000 0.849 178 N CB -0.042 38.364 38.487 -0.136 0.000 1.002 178 N HN 0.242 nan 8.380 nan 0.000 0.425 179 K N -0.894 119.302 120.400 -0.341 0.000 2.026 179 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 179 K C 1.040 177.435 176.600 -0.343 0.000 1.048 179 K CA 1.306 57.321 56.287 -0.452 0.000 0.929 179 K CB -0.253 31.808 32.500 -0.732 0.000 0.713 179 K HN 0.286 nan 8.250 nan 0.000 0.439 180 Y N 0.650 120.972 120.300 0.036 0.000 2.578 180 Y HA -0.023 4.527 4.550 -0.000 0.000 0.297 180 Y C 1.385 177.400 175.900 0.191 0.000 1.176 180 Y CA 0.682 58.875 58.100 0.155 0.000 1.315 180 Y CB -0.046 38.478 38.460 0.107 0.000 1.031 180 Y HN 0.301 nan 8.280 nan 0.000 0.524 181 D N -0.668 119.806 120.400 0.123 0.000 2.348 181 D HA -0.097 4.543 4.640 -0.000 0.000 0.211 181 D C 1.952 178.193 176.300 -0.099 0.000 0.998 181 D CA 1.243 55.311 54.000 0.113 0.000 0.873 181 D CB 0.022 40.883 40.800 0.102 0.000 0.925 181 D HN 0.261 nan 8.370 nan 0.000 0.524 182 T N -2.747 111.665 114.554 -0.238 0.000 3.129 182 T HA 0.066 4.416 4.350 -0.000 0.000 0.251 182 T C 0.267 174.856 174.700 -0.185 0.000 1.117 182 T CA -0.056 61.669 62.100 -0.625 0.000 1.034 182 T CB -0.382 68.129 68.868 -0.595 0.000 0.968 182 T HN -0.061 nan 8.240 nan 0.000 0.526 183 Y N 2.121 122.426 120.300 0.008 0.000 2.487 183 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 183 Y C 0.782 176.806 175.900 0.206 0.000 1.076 183 Y CA -1.305 56.873 58.100 0.130 0.000 1.115 183 Y CB 1.830 40.414 38.460 0.207 0.000 1.235 183 Y HN 0.190 nan 8.280 nan 0.000 0.468 184 S N -0.977 114.933 115.700 0.350 0.000 2.687 184 S HA 0.252 4.722 4.470 -0.000 0.000 0.283 184 S C 0.724 175.517 174.600 0.322 0.000 1.170 184 S CA -0.413 57.981 58.200 0.324 0.000 1.008 184 S CB 1.414 64.772 63.200 0.262 0.000 1.026 184 S HN 0.691 nan 8.310 nan 0.000 0.541 185 T N 1.299 116.074 114.554 0.369 0.000 2.684 185 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 185 T C 1.700 176.484 174.700 0.140 0.000 1.036 185 T CA 1.812 64.140 62.100 0.381 0.000 1.148 185 T CB -0.433 68.786 68.868 0.586 0.000 0.863 185 T HN 0.755 nan 8.240 nan 0.000 0.436 186 K N 0.902 121.320 120.400 0.030 0.000 2.057 186 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 186 K C 2.374 178.878 176.600 -0.160 0.000 1.049 186 K CA 1.503 57.571 56.287 -0.365 0.000 0.931 186 K CB -0.091 32.078 32.500 -0.552 0.000 0.714 186 K HN 0.425 nan 8.250 nan 0.000 0.440 187 E N -0.512 119.685 120.200 -0.006 0.000 2.118 187 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 187 E C 1.880 178.521 176.600 0.067 0.000 0.992 187 E CA 1.294 57.730 56.400 0.060 0.000 0.804 187 E CB -0.231 29.561 29.700 0.153 0.000 0.741 187 E HN 0.455 nan 8.360 nan 0.000 0.458 188 Y N 1.109 121.341 120.300 -0.113 0.000 2.133 188 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 188 Y C 1.985 177.675 175.900 -0.350 0.000 1.134 188 Y CA 1.718 59.584 58.100 -0.389 0.000 1.133 188 Y CB -0.313 37.476 38.460 -1.118 0.000 0.987 188 Y HN 0.006 nan 8.280 nan 0.000 0.502 189 L N -0.213 120.828 121.223 -0.302 0.000 2.043 189 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 189 L C 2.382 179.085 176.870 -0.279 0.000 1.075 189 L CA 1.789 56.476 54.840 -0.256 0.000 0.752 189 L CB -0.615 41.395 42.059 -0.081 0.000 0.891 189 L HN 0.340 nan 8.230 nan 0.000 0.432 190 I N -0.649 119.788 120.570 -0.223 0.000 2.206 190 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 190 I C 2.516 178.533 176.117 -0.167 0.000 1.078 190 I CA 1.187 62.389 61.300 -0.163 0.000 1.367 190 I CB -0.213 37.717 38.000 -0.117 0.000 1.078 190 I HN 0.136 nan 8.210 nan 0.000 0.413 191 K N 0.289 120.598 120.400 -0.152 0.000 2.103 191 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 191 K C 1.871 178.359 176.600 -0.185 0.000 1.052 191 K CA 1.029 57.255 56.287 -0.102 0.000 0.945 191 K CB 0.100 32.619 32.500 0.033 0.000 0.722 191 K HN 0.230 nan 8.250 nan 0.000 0.443 192 E N -0.728 119.213 120.200 -0.432 0.000 2.290 192 E HA 0.031 4.381 4.350 -0.000 0.000 0.199 192 E C 2.021 178.289 176.600 -0.554 0.000 0.912 192 E CA 0.587 56.667 56.400 -0.534 0.000 0.924 192 E CB 0.039 29.248 29.700 -0.818 0.000 0.901 192 E HN 0.330 nan 8.360 nan 0.000 0.487 193 G N 1.008 109.381 108.800 -0.712 0.000 2.572 193 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 193 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 193 G C 0.243 175.014 174.900 -0.215 0.000 1.133 193 G CA 0.397 45.258 45.100 -0.397 0.000 0.791 193 G HN 0.066 nan 8.290 nan 0.000 0.538 194 D N -0.701 119.575 120.400 -0.208 0.000 2.911 194 D HA -0.139 4.501 4.640 -0.000 0.000 0.227 194 D C 0.596 176.843 176.300 -0.088 0.000 1.164 194 D CA 0.533 54.459 54.000 -0.123 0.000 0.782 194 D CB -1.274 39.471 40.800 -0.091 0.000 1.094 194 D HN 0.303 nan 8.370 nan 0.000 0.425 195 L N 0.492 121.658 121.223 -0.094 0.000 2.452 195 L HA 0.127 4.467 4.340 -0.000 0.000 0.267 195 L C 1.516 178.363 176.870 -0.039 0.000 1.188 195 L CA -0.182 54.626 54.840 -0.053 0.000 0.821 195 L CB 0.706 42.741 42.059 -0.040 0.000 1.102 195 L HN 0.048 nan 8.230 nan 0.000 0.470 196 S N 1.252 116.943 115.700 -0.016 0.000 2.593 196 S HA 0.207 4.677 4.470 -0.000 0.000 0.269 196 S C -1.893 172.710 174.600 0.006 0.000 1.334 196 S CA -1.115 57.083 58.200 -0.004 0.000 1.015 196 S CB 0.997 64.202 63.200 0.010 0.000 0.912 196 S HN 0.413 nan 8.310 nan 0.000 0.541 197 P HA -0.007 nan 4.420 nan 0.000 0.216 197 P C 1.646 178.983 177.300 0.063 0.000 1.150 197 P CA 1.606 64.721 63.100 0.024 0.000 0.843 197 P CB -0.409 31.305 31.700 0.023 0.000 0.787 198 G N -0.175 108.671 108.800 0.076 0.000 2.408 198 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 198 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 198 G C 1.621 176.585 174.900 0.107 0.000 1.150 198 G CA 0.786 45.971 45.100 0.140 0.000 0.776 198 G HN 0.312 nan 8.290 nan 0.000 0.542 199 A N 0.177 123.025 122.820 0.046 0.000 1.930 199 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 199 A C 2.558 180.153 177.584 0.018 0.000 1.175 199 A CA 1.640 53.678 52.037 0.002 0.000 0.627 199 A CB -0.477 18.530 19.000 0.010 0.000 0.815 199 A HN 0.231 nan 8.150 nan 0.000 0.443 200 V N 0.526 120.470 119.914 0.051 0.000 2.427 200 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 200 V C 2.110 178.316 176.094 0.187 0.000 1.051 200 V CA 2.206 64.566 62.300 0.101 0.000 1.048 200 V CB -0.765 31.058 31.823 -0.000 0.000 0.666 200 V HN 0.463 nan 8.190 nan 0.000 0.456 201 D N -0.540 119.949 120.400 0.147 0.000 2.117 201 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 201 D C 2.050 178.387 176.300 0.062 0.000 0.987 201 D CA 1.389 55.511 54.000 0.204 0.000 0.829 201 D CB -0.229 40.745 40.800 0.291 0.000 0.961 201 D HN 0.351 nan 8.370 nan 0.000 0.460 202 M N 0.003 119.432 119.600 -0.286 0.000 2.132 202 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 202 M C 2.018 178.154 176.300 -0.274 0.000 1.065 202 M CA 1.208 56.023 55.300 -0.808 0.000 1.122 202 M CB 0.017 32.044 32.600 -0.955 0.000 1.365 202 M HN -0.051 nan 8.290 nan 0.000 0.411 203 I N -0.198 120.334 120.570 -0.064 0.000 2.179 203 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 203 I C 2.506 178.634 176.117 0.019 0.000 1.088 203 I CA 1.446 62.778 61.300 0.052 0.000 1.357 203 I CB -0.953 37.180 38.000 0.222 0.000 1.051 203 I HN 0.446 nan 8.210 nan 0.000 0.409 204 G N 0.328 109.162 108.800 0.056 0.000 2.418 204 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 204 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 204 G C 1.229 176.092 174.900 -0.061 0.000 1.158 204 G CA 0.940 45.938 45.100 -0.170 0.000 0.771 204 G HN 0.277 nan 8.290 nan 0.000 0.545 205 D N 0.480 120.899 120.400 0.032 0.000 2.084 205 D HA -0.034 4.606 4.640 -0.000 0.000 0.196 205 D C 2.643 179.012 176.300 0.116 0.000 0.985 205 D CA 0.672 54.718 54.000 0.078 0.000 0.826 205 D CB -0.278 40.621 40.800 0.165 0.000 0.978 205 D HN 0.325 nan 8.370 nan 0.000 0.456 206 L N -0.284 121.002 121.223 0.104 0.000 2.307 206 L HA 0.122 4.462 4.340 -0.000 0.000 0.211 206 L C 1.734 178.734 176.870 0.218 0.000 1.099 206 L CA 0.359 55.325 54.840 0.210 0.000 0.816 206 L CB 0.017 42.175 42.059 0.166 0.000 0.952 206 L HN -0.041 nan 8.230 nan 0.000 0.455 207 L N -0.422 120.848 121.223 0.077 0.000 2.700 207 L HA 0.165 4.505 4.340 -0.000 0.000 0.234 207 L C 0.400 177.177 176.870 -0.156 0.000 1.156 207 L CA 0.003 54.821 54.840 -0.038 0.000 0.946 207 L CB -0.378 41.613 42.059 -0.114 0.000 1.216 207 L HN 0.409 nan 8.230 nan 0.000 0.493 208 N N 0.921 119.609 118.700 -0.021 0.000 2.754 208 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 208 N C 0.831 176.162 175.510 -0.299 0.000 1.093 208 N CA 0.218 53.187 53.050 -0.135 0.000 0.699 208 N CB -0.023 38.157 38.487 -0.512 0.000 1.016 208 N HN 0.336 nan 8.380 nan 0.000 0.552 209 E N -0.110 119.888 120.200 -0.337 0.000 2.415 209 E HA -0.036 4.314 4.350 -0.000 0.000 0.197 209 E C 1.085 177.198 176.600 -0.812 0.000 1.007 209 E CA 0.219 56.305 56.400 -0.523 0.000 0.890 209 E CB 0.021 29.432 29.700 -0.483 0.000 0.891 209 E HN 0.501 nan 8.360 nan 0.000 0.496 210 D N 0.812 120.849 120.400 -0.606 0.000 2.106 210 D HA -0.136 4.504 4.640 -0.000 0.000 0.191 210 D C 1.559 177.731 176.300 -0.212 0.000 0.997 210 D CA 1.648 55.388 54.000 -0.434 0.000 0.834 210 D CB 0.156 40.890 40.800 -0.111 0.000 0.956 210 D HN -0.095 nan 8.370 nan 0.000 0.448 211 S N -1.357 114.254 115.700 -0.148 0.000 2.603 211 S HA 0.108 4.578 4.470 -0.000 0.000 0.229 211 S C 1.466 175.951 174.600 -0.190 0.000 0.972 211 S CA 0.667 58.827 58.200 -0.067 0.000 0.935 211 S CB 0.512 63.698 63.200 -0.024 0.000 0.769 211 S HN 0.426 nan 8.310 nan 0.000 0.536 212 G N -1.090 107.547 108.800 -0.270 0.000 3.519 212 G HA2 0.142 4.101 3.960 -0.000 0.000 0.269 212 G HA3 0.142 4.101 3.960 -0.000 0.000 0.269 212 G C 0.465 175.267 174.900 -0.163 0.000 1.028 212 G CA -0.237 44.683 45.100 -0.300 0.000 0.809 212 G HN 0.344 nan 8.290 nan 0.000 0.521 213 Y N 0.878 121.105 120.300 -0.121 0.000 2.483 213 Y HA -0.084 4.466 4.550 -0.000 0.000 0.291 213 Y C 2.062 178.017 175.900 0.091 0.000 1.143 213 Y CA 0.020 58.136 58.100 0.027 0.000 1.289 213 Y CB -0.164 38.352 38.460 0.094 0.000 0.983 213 Y HN 0.609 nan 8.280 nan 0.000 0.556 214 Y N -1.874 118.587 120.300 0.269 0.000 2.458 214 Y HA 0.417 4.967 4.550 -0.000 0.000 0.256 214 Y C 0.664 176.669 175.900 0.175 0.000 1.159 214 Y CA -1.131 57.081 58.100 0.187 0.000 1.261 214 Y CB -1.185 37.352 38.460 0.128 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.098 118.848 119.914 0.053 0.000 3.295 215 V HA 0.406 4.526 4.120 -0.000 0.000 0.308 215 V C 0.774 177.039 176.094 0.285 0.000 1.068 215 V CA -0.826 61.576 62.300 0.169 0.000 1.062 215 V CB 1.066 32.941 31.823 0.086 0.000 1.162 215 V HN 0.279 nan 8.190 nan 0.000 0.456 216 S N 0.423 116.330 115.700 0.344 0.000 2.546 216 S HA 0.035 4.505 4.470 -0.000 0.000 0.290 216 S C 0.522 175.376 174.600 0.423 0.000 1.290 216 S CA -0.116 58.332 58.200 0.413 0.000 1.069 216 S CB -0.562 62.968 63.200 0.549 0.000 0.846 216 S HN 0.852 nan 8.310 nan 0.000 0.495 217 F N 6.214 126.313 119.950 0.248 0.000 2.307 217 F HA -0.071 4.455 4.527 -0.000 0.000 0.301 217 F C 1.545 177.416 175.800 0.119 0.000 1.076 217 F CA 1.000 59.107 58.000 0.178 0.000 1.383 217 F CB -0.308 38.781 39.000 0.148 0.000 1.055 217 F HN 0.654 nan 8.300 nan 0.000 0.526 218 I N 0.296 120.910 120.570 0.073 0.000 2.264 218 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 218 I C 2.293 178.335 176.117 -0.126 0.000 1.111 218 I CA 1.169 62.380 61.300 -0.150 0.000 1.382 218 I CB -1.312 36.488 38.000 -0.333 0.000 1.060 218 I HN 0.171 nan 8.210 nan 0.000 0.418 219 E N 0.224 120.511 120.200 0.145 0.000 2.077 219 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 219 E C 2.331 178.940 176.600 0.016 0.000 0.989 219 E CA 1.382 57.876 56.400 0.157 0.000 0.800 219 E CB -0.215 29.631 29.700 0.243 0.000 0.746 219 E HN 0.360 nan 8.360 nan 0.000 0.452 220 S N 0.386 116.078 115.700 -0.013 0.000 2.368 220 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 220 S C 2.119 176.641 174.600 -0.130 0.000 1.029 220 S CA 0.530 58.720 58.200 -0.017 0.000 0.988 220 S CB -0.105 63.213 63.200 0.196 0.000 0.838 220 S HN 0.147 nan 8.310 nan 0.000 0.462 221 L N 0.763 121.728 121.223 -0.430 0.000 2.083 221 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 221 L C 2.617 179.076 176.870 -0.684 0.000 1.083 221 L CA 1.342 55.877 54.840 -0.509 0.000 0.752 221 L CB -0.411 41.308 42.059 -0.567 0.000 0.899 221 L HN 0.280 nan 8.230 nan 0.000 0.433 222 K N -1.272 118.716 120.400 -0.686 0.000 2.097 222 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 222 K C 2.171 178.641 176.600 -0.217 0.000 1.050 222 K CA 0.911 56.800 56.287 -0.665 0.000 0.938 222 K CB -0.235 32.050 32.500 -0.357 0.000 0.718 222 K HN 0.358 nan 8.250 nan 0.000 0.442 223 H N 1.112 120.106 119.070 -0.126 0.000 2.357 223 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 223 H C 1.613 176.982 175.328 0.069 0.000 1.082 223 H CA 1.951 58.026 56.048 0.046 0.000 1.342 223 H CB 0.196 29.908 29.762 -0.083 0.000 1.389 223 H HN 0.238 nan 8.280 nan 0.000 0.511 224 D N 0.038 120.462 120.400 0.040 0.000 2.117 224 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 224 D C 1.956 178.346 176.300 0.149 0.000 0.987 224 D CA 1.487 55.538 54.000 0.086 0.000 0.829 224 D CB -0.324 40.604 40.800 0.212 0.000 0.961 224 D HN 0.370 nan 8.370 nan 0.000 0.460 225 D N -0.908 119.488 120.400 -0.007 0.000 2.190 225 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 225 D C 1.875 178.206 176.300 0.052 0.000 0.992 225 D CA 1.157 55.157 54.000 -0.001 0.000 0.854 225 D CB -0.029 40.615 40.800 -0.260 0.000 0.936 225 D HN 0.413 nan 8.370 nan 0.000 0.462 226 I N -1.247 119.312 120.570 -0.018 0.000 2.499 226 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 226 I C 1.586 177.685 176.117 -0.030 0.000 1.085 226 I CA 0.206 61.427 61.300 -0.131 0.000 1.422 226 I CB -0.252 37.557 38.000 -0.319 0.000 1.165 226 I HN -0.054 nan 8.210 nan 0.000 0.440 227 F N 1.321 121.204 119.950 -0.111 0.000 2.234 227 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 227 F C 2.510 178.277 175.800 -0.054 0.000 1.087 227 F CA 1.260 59.229 58.000 -0.052 0.000 1.340 227 F CB -0.690 38.160 39.000 -0.250 0.000 1.031 227 F HN 0.009 nan 8.300 nan 0.000 0.500 228 A N -2.073 120.784 122.820 0.062 0.000 2.123 228 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 228 A C 1.034 178.276 177.584 -0.571 0.000 1.152 228 A CA 0.865 52.756 52.037 -0.242 0.000 0.728 228 A CB -0.711 18.092 19.000 -0.327 0.000 0.814 228 A HN 0.468 nan 8.150 nan 0.000 0.464 229 Y N -1.281 119.025 120.300 0.009 0.000 2.527 229 Y HA 0.306 4.856 4.550 -0.000 0.000 0.247 229 Y C 0.422 176.277 175.900 -0.075 0.000 1.138 229 Y CA -0.592 57.492 58.100 -0.026 0.000 1.228 229 Y CB 0.525 38.962 38.460 -0.038 0.000 1.252 229 Y HN 0.239 nan 8.280 nan 0.000 0.531 230 E N 1.531 121.728 120.200 -0.006 0.000 2.167 230 E HA 0.227 4.577 4.350 -0.000 0.000 0.284 230 E C 0.324 176.899 176.600 -0.043 0.000 1.016 230 E CA -0.040 56.269 56.400 -0.153 0.000 0.817 230 E CB 0.846 30.254 29.700 -0.487 0.000 1.080 230 E HN 0.165 nan 8.360 nan 0.000 0.397 231 K N 3.306 123.668 120.400 -0.063 0.000 2.361 231 K HA 0.111 4.431 4.320 -0.000 0.000 0.196 231 K C 0.491 177.111 176.600 0.034 0.000 1.039 231 K CA 0.257 56.547 56.287 0.005 0.000 1.001 231 K CB 0.365 32.860 32.500 -0.008 0.000 0.795 231 K HN 0.292 nan 8.250 nan 0.000 0.495 232 R N 0.260 120.721 120.500 -0.065 0.000 2.604 232 R HA 0.325 4.665 4.340 -0.000 0.000 0.281 232 R C -1.752 174.440 176.300 -0.181 0.000 1.020 232 R CA -0.486 55.610 56.100 -0.006 0.000 0.899 232 R CB 0.951 31.236 30.300 -0.024 0.000 1.205 232 R HN -0.216 nan 8.270 nan 0.000 0.450 233 F N 1.398 121.340 119.950 -0.013 0.000 2.577 233 F HA 0.536 5.062 4.527 -0.000 0.000 0.318 233 F C -0.145 175.710 175.800 0.091 0.000 1.065 233 F CA -0.484 57.510 58.000 -0.010 0.000 0.929 233 F CB 2.312 41.316 39.000 0.006 0.000 1.237 233 F HN 0.359 nan 8.300 nan 0.000 0.468 234 D N 0.498 121.037 120.400 0.232 0.000 2.645 234 D HA 0.293 4.933 4.640 -0.000 0.000 0.228 234 D C -1.201 175.221 176.300 0.204 0.000 1.148 234 D CA -0.498 53.630 54.000 0.215 0.000 0.860 234 D CB 2.884 43.755 40.800 0.118 0.000 1.548 234 D HN 0.683 nan 8.370 nan 0.000 0.460 235 E N 0.320 120.661 120.200 0.235 0.000 2.263 235 E HA 0.574 4.924 4.350 -0.000 0.000 0.264 235 E C -0.589 176.100 176.600 0.148 0.000 0.923 235 E CA -0.823 55.699 56.400 0.204 0.000 0.802 235 E CB 1.890 31.788 29.700 0.329 0.000 1.228 235 E HN 0.291 nan 8.360 nan 0.000 0.417 236 I N 2.213 122.844 120.570 0.103 0.000 2.371 236 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 236 I C 0.004 176.144 176.117 0.038 0.000 1.028 236 I CA -0.977 60.361 61.300 0.063 0.000 1.345 236 I CB 1.349 39.369 38.000 0.035 0.000 1.407 236 I HN 0.388 nan 8.210 nan 0.000 0.501 237 V N 6.919 126.861 119.914 0.047 0.000 2.617 237 V HA -0.092 4.028 4.120 -0.000 0.000 0.304 237 V C 0.601 176.685 176.094 -0.016 0.000 1.040 237 V CA 0.754 63.078 62.300 0.041 0.000 1.149 237 V CB 0.145 32.004 31.823 0.060 0.000 0.914 237 V HN 0.935 nan 8.190 nan 0.000 0.487 238 D N 2.129 122.519 120.400 -0.017 0.000 3.077 238 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 238 D C 0.447 176.344 176.300 -0.672 0.000 1.125 238 D CA 1.695 55.609 54.000 -0.143 0.000 0.970 238 D CB -1.353 39.425 40.800 -0.036 0.000 1.110 238 D HN 1.627 nan 8.370 nan 0.000 0.419 239 G N -0.658 107.700 108.800 -0.736 0.000 2.841 239 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.684 239 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.684 239 G C 0.709 175.463 174.900 -0.242 0.000 1.273 239 G CA -0.028 44.654 45.100 -0.698 0.000 0.811 239 G HN -0.050 nan 8.290 nan 0.000 0.631 240 M N 1.438 120.970 119.600 -0.112 0.000 2.213 240 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 240 M C 2.235 178.511 176.300 -0.040 0.000 1.062 240 M CA 2.193 57.475 55.300 -0.030 0.000 1.105 240 M CB -0.957 31.654 32.600 0.019 0.000 1.385 240 M HN 0.838 nan 8.290 nan 0.000 0.417 241 D N -0.212 120.150 120.400 -0.063 0.000 2.378 241 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 241 D C 1.431 177.689 176.300 -0.069 0.000 1.012 241 D CA 0.641 54.608 54.000 -0.055 0.000 0.905 241 D CB -0.334 40.434 40.800 -0.053 0.000 0.895 241 D HN 0.134 nan 8.370 nan 0.000 0.532 242 K N 0.016 120.368 120.400 -0.079 0.000 2.147 242 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 242 K C 1.931 178.493 176.600 -0.064 0.000 1.049 242 K CA 0.332 56.577 56.287 -0.070 0.000 0.936 242 K CB -0.445 32.019 32.500 -0.060 0.000 0.722 242 K HN 0.274 nan 8.250 nan 0.000 0.446 243 L N 2.224 123.424 121.223 -0.038 0.000 1.988 243 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 243 L C -1.086 175.710 176.870 -0.124 0.000 1.071 243 L CA 1.901 56.723 54.840 -0.030 0.000 0.744 243 L CB -1.416 40.662 42.059 0.032 0.000 0.893 243 L HN 0.039 nan 8.230 nan 0.000 0.433 244 P HA -0.122 nan 4.420 nan 0.000 0.218 244 P C 1.460 178.722 177.300 -0.062 0.000 1.149 244 P CA 1.718 64.768 63.100 -0.083 0.000 0.817 244 P CB -0.224 31.450 31.700 -0.043 0.000 0.785 245 T N 0.313 114.834 114.554 -0.054 0.000 2.708 245 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 245 T C 2.091 176.757 174.700 -0.056 0.000 1.037 245 T CA 1.798 63.912 62.100 0.022 0.000 1.146 245 T CB -0.786 68.075 68.868 -0.011 0.000 0.865 245 T HN 0.092 nan 8.240 nan 0.000 0.435 246 A N 1.068 123.736 122.820 -0.254 0.000 1.898 246 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 246 A C 2.305 179.404 177.584 -0.809 0.000 1.181 246 A CA 1.609 53.347 52.037 -0.498 0.000 0.620 246 A CB -0.672 17.965 19.000 -0.605 0.000 0.819 246 A HN 0.489 nan 8.150 nan 0.000 0.442 247 M N -1.784 117.295 119.600 -0.869 0.000 2.132 247 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 247 M C 2.137 178.338 176.300 -0.165 0.000 1.065 247 M CA 2.138 57.043 55.300 -0.658 0.000 1.122 247 M CB -0.302 32.042 32.600 -0.428 0.000 1.365 247 M HN 0.611 nan 8.290 nan 0.000 0.411 248 Y N 0.999 121.192 120.300 -0.178 0.000 2.145 248 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 248 Y C 2.133 178.013 175.900 -0.034 0.000 1.145 248 Y CA 1.709 59.774 58.100 -0.057 0.000 1.148 248 Y CB -0.566 37.895 38.460 0.002 0.000 0.981 248 Y HN 0.142 nan 8.280 nan 0.000 0.507 249 R N 0.435 120.613 120.500 -0.536 0.000 2.139 249 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 249 R C 1.934 178.044 176.300 -0.316 0.000 1.145 249 R CA 1.490 57.256 56.100 -0.557 0.000 0.976 249 R CB -0.824 29.317 30.300 -0.265 0.000 0.866 249 R HN 0.559 nan 8.270 nan 0.000 0.449 250 D N 1.244 121.550 120.400 -0.156 0.000 2.219 250 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 250 D C 1.352 177.641 176.300 -0.018 0.000 0.970 250 D CA 0.910 54.920 54.000 0.018 0.000 0.851 250 D CB 0.269 41.250 40.800 0.302 0.000 0.943 250 D HN 0.366 nan 8.370 nan 0.000 0.488 251 I N -1.787 118.743 120.570 -0.066 0.000 3.658 251 I HA 0.214 4.384 4.170 -0.000 0.000 0.328 251 I C 1.618 177.653 176.117 -0.137 0.000 1.567 251 I CA -0.507 60.755 61.300 -0.063 0.000 1.078 251 I CB 0.365 38.373 38.000 0.014 0.000 1.267 251 I HN -0.217 nan 8.210 nan 0.000 0.495 252 Q N 3.054 122.674 119.800 -0.301 0.000 2.142 252 Q HA -0.277 4.063 4.340 -0.000 0.000 0.213 252 Q C 1.488 177.397 176.000 -0.152 0.000 1.004 252 Q CA 2.981 58.547 55.803 -0.395 0.000 0.883 252 Q CB -0.067 28.387 28.738 -0.474 0.000 0.939 252 Q HN 0.808 nan 8.270 nan 0.000 0.413 253 D N -0.817 119.506 120.400 -0.128 0.000 2.378 253 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 253 D C 0.652 176.872 176.300 -0.134 0.000 1.012 253 D CA 0.772 54.705 54.000 -0.111 0.000 0.905 253 D CB -0.026 40.728 40.800 -0.077 0.000 0.895 253 D HN 0.355 nan 8.370 nan 0.000 0.532 254 K N 0.052 120.384 120.400 -0.114 0.000 2.358 254 K HA 0.200 4.520 4.320 -0.000 0.000 0.200 254 K C -0.137 176.394 176.600 -0.115 0.000 1.030 254 K CA -0.115 56.126 56.287 -0.077 0.000 1.097 254 K CB 1.857 34.347 32.500 -0.015 0.000 0.862 254 K HN -0.038 nan 8.250 nan 0.000 0.534 255 V N 1.917 121.707 119.914 -0.207 0.000 2.398 255 V HA 0.214 4.334 4.120 -0.000 0.000 0.286 255 V C -0.790 174.968 176.094 -0.560 0.000 1.026 255 V CA -0.937 61.182 62.300 -0.301 0.000 0.868 255 V CB 0.987 32.670 31.823 -0.233 0.000 0.982 255 V HN 0.189 nan 8.190 nan 0.000 0.443 256 H N 4.277 123.087 119.070 -0.434 0.000 2.511 256 H HA 0.612 5.168 4.556 -0.000 0.000 0.328 256 H C -0.669 174.380 175.328 -0.466 0.000 1.044 256 H CA -0.295 55.535 56.048 -0.362 0.000 1.212 256 H CB 0.949 30.544 29.762 -0.278 0.000 1.428 256 H HN 0.487 nan 8.280 nan 0.000 0.483 257 F N 1.301 121.249 119.950 -0.004 0.000 2.380 257 F HA 0.189 4.716 4.527 -0.000 0.000 0.319 257 F C 1.033 176.821 175.800 -0.021 0.000 1.113 257 F CA -0.879 57.086 58.000 -0.058 0.000 1.056 257 F CB 0.554 39.499 39.000 -0.092 0.000 1.289 257 F HN 0.609 nan 8.300 nan 0.000 0.515 258 N N -0.203 118.607 118.700 0.183 0.000 2.725 258 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 258 N C -0.799 174.775 175.510 0.107 0.000 1.103 258 N CA 0.804 53.925 53.050 0.119 0.000 0.707 258 N CB -1.210 37.354 38.487 0.128 0.000 1.043 258 N HN 0.595 nan 8.380 nan 0.000 0.553 259 A N 0.724 123.567 122.820 0.038 0.000 2.536 259 A HA 0.355 4.675 4.320 -0.000 0.000 0.329 259 A C 0.202 177.778 177.584 -0.013 0.000 1.321 259 A CA -0.478 51.566 52.037 0.012 0.000 0.804 259 A CB 0.708 19.509 19.000 -0.330 0.000 1.126 259 A HN 0.242 nan 8.150 nan 0.000 0.480 260 Q N 2.429 122.283 119.800 0.091 0.000 2.349 260 Q HA 0.438 4.778 4.340 -0.000 0.000 0.254 260 Q C -0.717 175.344 176.000 0.103 0.000 0.980 260 Q CA -0.312 55.533 55.803 0.071 0.000 0.924 260 Q CB 0.882 29.688 28.738 0.113 0.000 1.209 260 Q HN 0.498 nan 8.270 nan 0.000 0.445 261 V N 6.891 126.837 119.914 0.053 0.000 2.599 261 V HA -0.057 4.063 4.120 -0.000 0.000 0.300 261 V C 1.099 177.202 176.094 0.015 0.000 1.034 261 V CA 0.812 63.142 62.300 0.050 0.000 1.115 261 V CB 0.387 32.202 31.823 -0.013 0.000 0.934 261 V HN 0.843 nan 8.190 nan 0.000 0.485 262 I N 1.037 121.605 120.570 -0.004 0.000 4.456 262 I HA 0.454 4.624 4.170 -0.000 0.000 0.329 262 I C 0.444 176.501 176.117 -0.099 0.000 1.313 262 I CA 0.032 61.312 61.300 -0.034 0.000 1.205 262 I CB 0.288 38.282 38.000 -0.010 0.000 1.179 262 I HN 0.404 nan 8.210 nan 0.000 0.419 263 K N 1.970 122.293 120.400 -0.128 0.000 2.523 263 K HA 0.708 5.028 4.320 -0.000 0.000 0.257 263 K C -1.404 175.061 176.600 -0.225 0.000 0.932 263 K CA -0.513 55.664 56.287 -0.183 0.000 0.812 263 K CB 3.334 35.771 32.500 -0.105 0.000 1.326 263 K HN 0.016 nan 8.250 nan 0.000 0.433 264 I N 2.667 123.041 120.570 -0.328 0.000 2.548 264 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 264 I C -1.105 174.955 176.117 -0.096 0.000 1.103 264 I CA -0.667 60.486 61.300 -0.245 0.000 1.049 264 I CB 2.242 40.013 38.000 -0.382 0.000 1.232 264 I HN 0.503 nan 8.210 nan 0.000 0.429 265 Q N 5.290 125.073 119.800 -0.027 0.000 2.399 265 Q HA 0.712 5.052 4.340 -0.000 0.000 0.276 265 Q C -1.189 174.830 176.000 0.032 0.000 1.098 265 Q CA -0.844 54.972 55.803 0.021 0.000 0.827 265 Q CB 2.794 31.534 28.738 0.003 0.000 1.386 265 Q HN 0.594 nan 8.270 nan 0.000 0.443 266 Q N 0.341 120.167 119.800 0.043 0.000 2.472 266 Q HA 0.631 4.971 4.340 -0.000 0.000 0.281 266 Q C -1.538 174.475 176.000 0.021 0.000 0.997 266 Q CA -0.966 54.853 55.803 0.028 0.000 0.828 266 Q CB 1.545 30.310 28.738 0.045 0.000 1.443 266 Q HN 0.659 nan 8.270 nan 0.000 0.390 267 N N -0.109 118.594 118.700 0.005 0.000 3.167 267 N HA 0.316 5.056 4.740 -0.000 0.000 0.323 267 N C -0.442 175.066 175.510 -0.004 0.000 1.478 267 N CA -0.586 52.467 53.050 0.005 0.000 0.753 267 N CB 0.325 38.813 38.487 0.002 0.000 1.721 267 N HN 0.539 nan 8.380 nan 0.000 0.618 268 D N -1.027 119.372 120.400 -0.001 0.000 2.263 268 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 268 D C 0.870 177.158 176.300 -0.020 0.000 0.971 268 D CA 1.255 55.253 54.000 -0.003 0.000 0.867 268 D CB 0.079 40.883 40.800 0.006 0.000 0.929 268 D HN 0.520 nan 8.370 nan 0.000 0.492 269 Q N -0.599 119.184 119.800 -0.028 0.000 2.423 269 Q HA 0.129 4.469 4.340 -0.000 0.000 0.231 269 Q C 0.870 176.822 176.000 -0.080 0.000 0.894 269 Q CA 0.261 56.037 55.803 -0.045 0.000 0.938 269 Q CB 1.218 29.942 28.738 -0.024 0.000 1.079 269 Q HN 0.171 nan 8.270 nan 0.000 0.552 270 K N -0.257 120.102 120.400 -0.068 0.000 2.499 270 K HA 0.680 5.000 4.320 -0.000 0.000 0.277 270 K C -0.896 175.666 176.600 -0.063 0.000 1.025 270 K CA -0.546 55.692 56.287 -0.082 0.000 0.900 270 K CB 1.941 34.413 32.500 -0.046 0.000 1.494 270 K HN 0.177 nan 8.250 nan 0.000 0.442 271 V N -2.163 117.711 119.914 -0.066 0.000 2.823 271 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 271 V C -0.644 175.428 176.094 -0.036 0.000 1.072 271 V CA -0.436 61.842 62.300 -0.038 0.000 0.937 271 V CB 1.897 33.701 31.823 -0.031 0.000 1.013 271 V HN 0.684 nan 8.190 nan 0.000 0.430 272 T N 3.323 117.862 114.554 -0.025 0.000 2.809 272 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 272 T C -0.579 174.102 174.700 -0.032 0.000 0.992 272 T CA -0.388 61.697 62.100 -0.024 0.000 0.957 272 T CB 1.480 70.336 68.868 -0.020 0.000 0.942 272 T HN 0.760 nan 8.240 nan 0.000 0.439 273 V N 3.941 123.843 119.914 -0.021 0.000 2.417 273 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 273 V C -0.147 175.967 176.094 0.032 0.000 1.024 273 V CA -0.770 61.524 62.300 -0.011 0.000 0.861 273 V CB 1.704 33.524 31.823 -0.005 0.000 0.985 273 V HN 0.696 nan 8.190 nan 0.000 0.436 274 V N 6.290 126.204 119.914 -0.000 0.000 2.435 274 V HA 0.597 4.717 4.120 -0.000 0.000 0.290 274 V C -0.689 175.430 176.094 0.041 0.000 1.030 274 V CA -0.592 61.688 62.300 -0.033 0.000 0.881 274 V CB 1.337 33.114 31.823 -0.076 0.000 0.983 274 V HN 0.890 nan 8.190 nan 0.000 0.445 275 Y N 1.442 121.702 120.300 -0.065 0.000 2.581 275 Y HA 0.806 5.356 4.550 -0.000 0.000 0.345 275 Y C -0.360 175.518 175.900 -0.036 0.000 1.036 275 Y CA -1.367 56.701 58.100 -0.054 0.000 1.042 275 Y CB 1.272 39.694 38.460 -0.064 0.000 1.289 275 Y HN 0.591 nan 8.280 nan 0.000 0.471 276 E N 1.125 121.405 120.200 0.132 0.000 2.283 276 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 276 E C -0.442 176.253 176.600 0.158 0.000 1.045 276 E CA -0.679 55.760 56.400 0.064 0.000 0.884 276 E CB 1.683 31.419 29.700 0.061 0.000 1.106 276 E HN 0.838 nan 8.360 nan 0.000 0.408 277 T N -2.252 112.357 114.554 0.092 0.000 2.724 277 T HA 0.334 4.683 4.350 -0.000 0.000 0.274 277 T C 0.913 175.663 174.700 0.084 0.000 0.984 277 T CA -0.831 61.343 62.100 0.122 0.000 1.024 277 T CB 0.226 69.156 68.868 0.103 0.000 1.320 277 T HN 0.345 nan 8.240 nan 0.000 0.555 278 L N 0.955 122.226 121.223 0.081 0.000 2.376 278 L HA 0.133 4.473 4.340 -0.000 0.000 0.219 278 L C 1.766 178.661 176.870 0.042 0.000 1.133 278 L CA 0.592 55.469 54.840 0.062 0.000 0.816 278 L CB -0.451 41.645 42.059 0.061 0.000 0.933 278 L HN 0.827 nan 8.230 nan 0.000 0.449 279 S N -1.232 114.490 115.700 0.036 0.000 2.677 279 S HA 0.226 4.696 4.470 -0.000 0.000 0.290 279 S C 0.835 175.441 174.600 0.010 0.000 1.124 279 S CA -0.739 57.474 58.200 0.021 0.000 1.017 279 S CB 0.979 64.189 63.200 0.017 0.000 1.215 279 S HN -0.009 nan 8.310 nan 0.000 0.524 280 K N 0.380 120.780 120.400 0.000 0.000 2.459 280 K HA 0.127 4.447 4.320 -0.000 0.000 0.193 280 K C 0.514 177.098 176.600 -0.027 0.000 1.030 280 K CA 0.141 56.422 56.287 -0.010 0.000 1.026 280 K CB -0.090 32.404 32.500 -0.010 0.000 0.809 280 K HN 0.663 nan 8.250 nan 0.000 0.504 281 E N 2.216 122.398 120.200 -0.030 0.000 2.376 281 E HA -0.038 4.312 4.350 -0.000 0.000 0.266 281 E C -0.620 175.918 176.600 -0.104 0.000 1.009 281 E CA 0.267 56.631 56.400 -0.060 0.000 0.902 281 E CB 0.575 30.246 29.700 -0.049 0.000 0.972 281 E HN 0.009 nan 8.360 nan 0.000 0.439 282 T N 2.997 117.461 114.554 -0.150 0.000 3.241 282 T HA 0.401 4.751 4.350 -0.000 0.000 0.387 282 T C -2.522 171.969 174.700 -0.348 0.000 1.451 282 T CA -1.961 59.998 62.100 -0.234 0.000 1.363 282 T CB 0.965 69.744 68.868 -0.147 0.000 1.074 282 T HN 0.240 nan 8.240 nan 0.000 0.598 283 P HA 0.312 nan 4.420 nan 0.000 0.269 283 P C -0.330 176.664 177.300 -0.510 0.000 1.217 283 P CA -0.219 62.552 63.100 -0.548 0.000 0.783 283 P CB 0.559 31.853 31.700 -0.677 0.000 0.898 284 S N 0.448 116.004 115.700 -0.240 0.000 2.521 284 S HA 0.585 5.055 4.470 -0.000 0.000 0.295 284 S C -1.341 173.249 174.600 -0.017 0.000 1.098 284 S CA -0.706 57.426 58.200 -0.113 0.000 0.999 284 S CB 0.737 63.887 63.200 -0.083 0.000 1.034 284 S HN 0.249 nan 8.310 nan 0.000 0.483 285 V N 5.159 125.099 119.914 0.043 0.000 2.531 285 V HA 0.772 4.892 4.120 -0.000 0.000 0.301 285 V C -0.574 175.544 176.094 0.040 0.000 1.034 285 V CA -0.285 62.061 62.300 0.077 0.000 0.865 285 V CB 1.887 33.786 31.823 0.127 0.000 0.995 285 V HN 1.015 nan 8.190 nan 0.000 0.424 286 T N 4.781 119.371 114.554 0.060 0.000 2.829 286 T HA 0.935 5.285 4.350 -0.000 0.000 0.282 286 T C -0.051 174.680 174.700 0.052 0.000 0.990 286 T CA 0.029 62.148 62.100 0.033 0.000 1.028 286 T CB 1.691 70.582 68.868 0.038 0.000 0.951 286 T HN 1.438 nan 8.240 nan 0.000 0.460 287 A N 1.444 124.231 122.820 -0.056 0.000 2.533 287 A HA 0.674 4.994 4.320 -0.000 0.000 0.293 287 A C 0.151 177.673 177.584 -0.103 0.000 1.228 287 A CA -0.743 51.213 52.037 -0.136 0.000 0.689 287 A CB 0.738 19.422 19.000 -0.528 0.000 1.303 287 A HN 0.694 nan 8.150 nan 0.000 0.444 288 D N -1.272 119.067 120.400 -0.102 0.000 2.216 288 D HA 0.171 4.810 4.640 -0.000 0.000 0.208 288 D C -0.584 175.361 176.300 -0.592 0.000 0.960 288 D CA 1.838 55.661 54.000 -0.295 0.000 0.861 288 D CB 0.190 40.885 40.800 -0.174 0.000 0.985 288 D HN 0.455 nan 8.370 nan 0.000 0.493 289 Y N -1.045 119.239 120.300 -0.027 0.000 2.625 289 Y HA 0.453 5.003 4.550 -0.000 0.000 0.338 289 Y C -0.600 175.273 175.900 -0.044 0.000 1.123 289 Y CA -1.139 56.964 58.100 0.006 0.000 1.046 289 Y CB 2.355 40.811 38.460 -0.007 0.000 1.299 289 Y HN -0.361 nan 8.280 nan 0.000 0.464 290 V N 3.389 123.412 119.914 0.182 0.000 2.808 290 V HA 0.636 4.756 4.120 -0.000 0.000 0.308 290 V C -1.638 174.488 176.094 0.053 0.000 1.099 290 V CA -0.728 61.604 62.300 0.053 0.000 0.920 290 V CB 1.692 33.517 31.823 0.004 0.000 1.014 290 V HN 0.667 nan 8.190 nan 0.000 0.425 291 I N 6.803 127.365 120.570 -0.013 0.000 2.382 291 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 291 I C -0.386 175.682 176.117 -0.080 0.000 1.002 291 I CA -0.920 60.356 61.300 -0.039 0.000 1.135 291 I CB 1.900 39.882 38.000 -0.030 0.000 1.288 291 I HN 0.306 nan 8.210 nan 0.000 0.448 292 V N 5.791 125.589 119.914 -0.194 0.000 2.408 292 V HA 0.059 4.179 4.120 -0.000 0.000 0.267 292 V C 0.321 176.462 176.094 0.078 0.000 1.047 292 V CA -0.116 62.141 62.300 -0.072 0.000 0.937 292 V CB 0.922 32.675 31.823 -0.116 0.000 0.999 292 V HN 0.915 nan 8.190 nan 0.000 0.472 293 C N 3.686 123.044 119.300 0.097 0.000 2.660 293 C HA 0.308 4.768 4.460 -0.000 0.000 0.265 293 C C 1.326 176.412 174.990 0.160 0.000 1.573 293 C CA -0.404 58.689 59.018 0.124 0.000 1.751 293 C CB -1.191 26.581 27.740 0.054 0.000 3.033 293 C HN 0.960 nan 8.230 nan 0.000 0.511 294 T N -1.292 113.392 114.554 0.218 0.000 2.884 294 T HA 0.538 4.888 4.350 -0.000 0.000 0.277 294 T C 0.486 175.358 174.700 0.286 0.000 0.976 294 T CA -0.013 62.205 62.100 0.196 0.000 0.956 294 T CB 0.796 69.762 68.868 0.164 0.000 1.113 294 T HN 0.410 nan 8.240 nan 0.000 0.554 295 T N -0.676 113.994 114.554 0.194 0.000 2.813 295 T HA 0.234 4.584 4.350 -0.000 0.000 0.297 295 T C 1.710 176.393 174.700 -0.027 0.000 1.036 295 T CA -0.169 62.033 62.100 0.171 0.000 1.044 295 T CB 0.420 69.300 68.868 0.021 0.000 0.993 295 T HN 0.850 nan 8.240 nan 0.000 0.535 296 S N 1.133 116.600 115.700 -0.388 0.000 2.382 296 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 296 S C 2.017 176.451 174.600 -0.276 0.000 1.027 296 S CA 0.618 58.410 58.200 -0.679 0.000 0.991 296 S CB -0.544 62.099 63.200 -0.929 0.000 0.823 296 S HN 0.741 nan 8.310 nan 0.000 0.469 297 R N 1.487 121.845 120.500 -0.238 0.000 2.092 297 R HA 0.118 4.458 4.340 -0.000 0.000 0.231 297 R C 2.727 178.986 176.300 -0.067 0.000 1.119 297 R CA 1.167 57.170 56.100 -0.162 0.000 0.970 297 R CB -0.728 29.437 30.300 -0.226 0.000 0.864 297 R HN 0.568 nan 8.270 nan 0.000 0.440 298 A N 0.682 123.482 122.820 -0.034 0.000 1.972 298 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 298 A C 2.278 179.921 177.584 0.098 0.000 1.169 298 A CA 1.167 53.233 52.037 0.048 0.000 0.635 298 A CB -0.374 18.679 19.000 0.088 0.000 0.810 298 A HN 0.114 nan 8.150 nan 0.000 0.446 299 V N 0.140 120.124 119.914 0.117 0.000 2.407 299 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 299 V C 2.447 178.695 176.094 0.256 0.000 1.055 299 V CA 2.153 64.602 62.300 0.249 0.000 1.049 299 V CB -0.838 31.137 31.823 0.255 0.000 0.662 299 V HN 0.549 nan 8.190 nan 0.000 0.455 300 R N -0.361 120.211 120.500 0.121 0.000 2.285 300 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 300 R C 1.918 178.281 176.300 0.106 0.000 1.068 300 R CA 0.795 56.957 56.100 0.103 0.000 1.004 300 R CB -0.232 30.084 30.300 0.026 0.000 0.873 300 R HN 0.462 nan 8.270 nan 0.000 0.467 301 L N 0.374 121.655 121.223 0.097 0.000 2.509 301 L HA 0.148 4.487 4.340 -0.000 0.000 0.222 301 L C 0.718 177.623 176.870 0.058 0.000 1.123 301 L CA 0.121 55.001 54.840 0.067 0.000 0.856 301 L CB 0.119 42.212 42.059 0.056 0.000 0.985 301 L HN 0.063 nan 8.230 nan 0.000 0.456 302 I N 0.786 121.403 120.570 0.080 0.000 2.395 302 I HA 0.061 4.231 4.170 -0.000 0.000 0.289 302 I C 0.548 176.622 176.117 -0.073 0.000 1.023 302 I CA -0.093 61.170 61.300 -0.062 0.000 1.350 302 I CB 1.068 38.949 38.000 -0.197 0.000 1.409 302 I HN -0.012 nan 8.210 nan 0.000 0.507 303 K N 6.820 127.141 120.400 -0.131 0.000 2.285 303 K HA 0.344 4.664 4.320 -0.000 0.000 0.286 303 K C -1.296 175.217 176.600 -0.146 0.000 1.072 303 K CA -0.278 55.983 56.287 -0.044 0.000 0.913 303 K CB 0.457 32.941 32.500 -0.026 0.000 1.067 303 K HN 0.290 nan 8.250 nan 0.000 0.479 304 F N 2.839 122.815 119.950 0.043 0.000 2.422 304 F HA 0.318 4.845 4.527 -0.000 0.000 0.333 304 F C 0.605 176.426 175.800 0.035 0.000 1.095 304 F CA -0.687 57.342 58.000 0.048 0.000 1.038 304 F CB 1.363 40.407 39.000 0.072 0.000 1.156 304 F HN 0.471 nan 8.300 nan 0.000 0.483 305 N N 4.316 123.136 118.700 0.200 0.000 2.533 305 N HA 0.295 5.035 4.740 -0.000 0.000 0.289 305 N C -3.127 172.449 175.510 0.109 0.000 1.103 305 N CA -1.917 51.205 53.050 0.121 0.000 0.877 305 N CB 2.240 40.764 38.487 0.062 0.000 1.419 305 N HN 0.140 nan 8.380 nan 0.000 0.517 306 P HA 0.257 nan 4.420 nan 0.000 0.272 306 P C -2.666 174.714 177.300 0.133 0.000 1.230 306 P CA -0.798 62.358 63.100 0.093 0.000 0.788 306 P CB -0.006 31.730 31.700 0.061 0.000 0.949 307 P HA 0.086 nan 4.420 nan 0.000 0.270 307 P C 0.055 177.370 177.300 0.026 0.000 1.223 307 P CA 0.070 63.237 63.100 0.112 0.000 0.785 307 P CB 0.595 32.339 31.700 0.074 0.000 0.923 308 L N 1.766 122.947 121.223 -0.070 0.000 2.453 308 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 308 L C 1.183 177.996 176.870 -0.095 0.000 1.182 308 L CA -0.291 54.443 54.840 -0.177 0.000 0.858 308 L CB -0.358 41.491 42.059 -0.350 0.000 1.120 308 L HN 0.284 nan 8.230 nan 0.000 0.474 309 L N 4.896 126.070 121.223 -0.081 0.000 2.483 309 L HA -0.015 4.324 4.340 -0.000 0.000 0.275 309 L C -1.123 175.718 176.870 -0.048 0.000 1.220 309 L CA -1.151 53.660 54.840 -0.048 0.000 0.833 309 L CB -0.109 41.927 42.059 -0.037 0.000 1.102 309 L HN 0.464 nan 8.230 nan 0.000 0.490 310 P HA -0.235 nan 4.420 nan 0.000 0.217 310 P C 1.120 178.434 177.300 0.023 0.000 1.162 310 P CA 1.651 64.752 63.100 0.002 0.000 0.901 310 P CB 0.137 31.846 31.700 0.016 0.000 0.793 311 K N -0.375 120.033 120.400 0.013 0.000 2.026 311 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 311 K C 2.228 178.808 176.600 -0.034 0.000 1.048 311 K CA 1.468 57.763 56.287 0.014 0.000 0.929 311 K CB -0.342 32.152 32.500 -0.010 0.000 0.713 311 K HN 0.105 nan 8.250 nan 0.000 0.439 312 K N 0.893 121.239 120.400 -0.090 0.000 2.057 312 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 312 K C 2.172 178.661 176.600 -0.185 0.000 1.050 312 K CA 1.170 57.352 56.287 -0.175 0.000 0.935 312 K CB -0.110 32.237 32.500 -0.255 0.000 0.715 312 K HN 0.114 nan 8.250 nan 0.000 0.439 313 A N 1.114 123.856 122.820 -0.130 0.000 1.908 313 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 313 A C 2.108 179.653 177.584 -0.065 0.000 1.181 313 A CA 1.988 53.963 52.037 -0.104 0.000 0.627 313 A CB -1.024 17.937 19.000 -0.064 0.000 0.818 313 A HN 0.543 nan 8.150 nan 0.000 0.445 314 H N 0.199 119.176 119.070 -0.154 0.000 2.326 314 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 314 H C 2.299 177.355 175.328 -0.453 0.000 1.081 314 H CA 1.666 57.615 56.048 -0.165 0.000 1.334 314 H CB -0.639 29.119 29.762 -0.006 0.000 1.385 314 H HN 0.374 nan 8.280 nan 0.000 0.504 315 A N 0.898 123.383 122.820 -0.559 0.000 1.908 315 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 315 A C 2.838 180.020 177.584 -0.670 0.000 1.181 315 A CA 1.539 52.880 52.037 -1.160 0.000 0.627 315 A CB -0.970 17.656 19.000 -0.622 0.000 0.818 315 A HN 0.450 nan 8.150 nan 0.000 0.445 316 L N -1.143 119.855 121.223 -0.375 0.000 2.083 316 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 316 L C 2.785 179.528 176.870 -0.212 0.000 1.083 316 L CA 1.760 56.428 54.840 -0.287 0.000 0.752 316 L CB -0.427 41.494 42.059 -0.229 0.000 0.899 316 L HN 0.524 nan 8.230 nan 0.000 0.433 317 R N -0.314 120.089 120.500 -0.163 0.000 2.073 317 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 317 R C 2.153 178.422 176.300 -0.051 0.000 1.120 317 R CA 1.714 57.770 56.100 -0.073 0.000 0.967 317 R CB -0.006 30.284 30.300 -0.017 0.000 0.862 317 R HN 0.153 nan 8.270 nan 0.000 0.436 318 S N 0.030 115.654 115.700 -0.127 0.000 2.486 318 S HA 0.127 4.597 4.470 -0.000 0.000 0.220 318 S C 0.324 174.886 174.600 -0.064 0.000 1.011 318 S CA -0.109 58.055 58.200 -0.059 0.000 0.921 318 S CB 0.526 63.740 63.200 0.023 0.000 0.785 318 S HN 0.064 nan 8.310 nan 0.000 0.517 319 V N 3.673 123.446 119.914 -0.235 0.000 2.539 319 V HA -0.063 4.057 4.120 -0.000 0.000 0.300 319 V C 0.391 176.568 176.094 0.138 0.000 1.019 319 V CA 0.398 62.631 62.300 -0.111 0.000 1.160 319 V CB -0.479 31.264 31.823 -0.132 0.000 0.901 319 V HN 0.433 nan 8.190 nan 0.000 0.481 320 H N 5.123 124.238 119.070 0.076 0.000 2.562 320 H HA 0.473 5.029 4.556 -0.000 0.000 0.352 320 H C -1.039 174.341 175.328 0.088 0.000 1.125 320 H CA -0.056 56.088 56.048 0.160 0.000 1.379 320 H CB 0.575 30.444 29.762 0.178 0.000 1.464 320 H HN 0.541 nan 8.280 nan 0.000 0.563 321 Y N 2.158 122.158 120.300 -0.500 0.000 2.462 321 Y HA 0.310 4.860 4.550 -0.000 0.000 0.346 321 Y C -0.176 175.450 175.900 -0.456 0.000 0.976 321 Y CA -0.997 56.908 58.100 -0.324 0.000 1.044 321 Y CB 1.404 39.763 38.460 -0.167 0.000 1.230 321 Y HN 0.663 nan 8.280 nan 0.000 0.455 322 R N 0.641 121.104 120.500 -0.062 0.000 2.540 322 R HA 0.771 5.111 4.340 -0.000 0.000 0.287 322 R C -0.643 175.713 176.300 0.094 0.000 0.980 322 R CA -0.753 55.360 56.100 0.023 0.000 0.966 322 R CB 1.314 31.646 30.300 0.053 0.000 1.106 322 R HN 0.516 nan 8.270 nan 0.000 0.480 323 S N 0.357 116.134 115.700 0.129 0.000 2.584 323 S HA 0.474 4.944 4.470 -0.000 0.000 0.270 323 S C 0.109 174.825 174.600 0.192 0.000 1.346 323 S CA 0.127 58.430 58.200 0.172 0.000 1.018 323 S CB 1.219 64.526 63.200 0.178 0.000 0.899 323 S HN 0.778 nan 8.310 nan 0.000 0.542 324 G N 0.847 109.813 108.800 0.278 0.000 2.711 324 G HA2 0.532 4.492 3.960 -0.000 0.000 0.288 324 G HA3 0.532 4.492 3.960 -0.000 0.000 0.288 324 G C -1.203 173.953 174.900 0.427 0.000 1.451 324 G CA -0.459 44.864 45.100 0.371 0.000 1.186 324 G HN 0.561 nan 8.290 nan 0.000 0.560 325 T N 2.094 116.865 114.554 0.361 0.000 2.881 325 T HA 0.523 4.873 4.350 -0.000 0.000 0.290 325 T C -0.433 174.351 174.700 0.140 0.000 1.000 325 T CA -0.611 61.611 62.100 0.202 0.000 0.978 325 T CB 1.822 70.758 68.868 0.113 0.000 0.997 325 T HN 0.410 nan 8.240 nan 0.000 0.443 326 K N 2.851 123.249 120.400 -0.004 0.000 2.345 326 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 326 K C -0.913 175.467 176.600 -0.366 0.000 0.934 326 K CA -0.682 55.455 56.287 -0.249 0.000 0.801 326 K CB 2.221 34.498 32.500 -0.371 0.000 1.137 326 K HN 0.492 nan 8.250 nan 0.000 0.424 327 I N 3.885 124.134 120.570 -0.536 0.000 2.355 327 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 327 I C -0.893 174.903 176.117 -0.535 0.000 0.999 327 I CA -0.768 60.264 61.300 -0.447 0.000 1.163 327 I CB 0.647 38.346 38.000 -0.502 0.000 1.316 327 I HN 0.358 nan 8.210 nan 0.000 0.454 328 F N 6.536 126.337 119.950 -0.248 0.000 2.436 328 F HA 0.546 5.073 4.527 -0.000 0.000 0.340 328 F C -0.083 175.531 175.800 -0.309 0.000 1.113 328 F CA -0.663 57.195 58.000 -0.236 0.000 1.022 328 F CB 1.160 40.065 39.000 -0.158 0.000 1.128 328 F HN 0.119 nan 8.300 nan 0.000 0.466 329 L N 3.122 124.236 121.223 -0.180 0.000 2.333 329 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 329 L C -0.397 176.290 176.870 -0.306 0.000 1.004 329 L CA -0.551 54.128 54.840 -0.268 0.000 0.820 329 L CB 1.952 43.873 42.059 -0.230 0.000 1.247 329 L HN 0.564 nan 8.230 nan 0.000 0.416 330 T N 1.983 116.196 114.554 -0.567 0.000 2.744 330 T HA 0.386 4.736 4.350 -0.000 0.000 0.291 330 T C -0.258 174.285 174.700 -0.262 0.000 0.957 330 T CA -0.250 61.461 62.100 -0.648 0.000 1.002 330 T CB 0.524 68.660 68.868 -1.219 0.000 0.919 330 T HN 0.541 nan 8.240 nan 0.000 0.468 331 c N 2.837 121.418 118.600 -0.032 0.000 2.493 331 c HA 0.549 5.119 4.570 -0.000 0.000 0.326 331 c C 1.961 176.121 174.090 0.117 0.000 1.200 331 c CA -0.810 55.616 56.329 0.161 0.000 1.739 331 c CB 1.166 43.873 42.510 0.328 0.000 2.300 331 c HN 1.018 nan 8.230 nan 0.000 0.500 332 T N -2.282 112.363 114.554 0.152 0.000 3.044 332 T HA 0.085 4.435 4.350 -0.000 0.000 0.250 332 T C 0.470 175.177 174.700 0.011 0.000 1.081 332 T CA 0.466 62.627 62.100 0.100 0.000 1.040 332 T CB -0.120 68.831 68.868 0.139 0.000 0.962 332 T HN 0.643 nan 8.240 nan 0.000 0.506 333 T N 2.655 117.192 114.554 -0.029 0.000 2.892 333 T HA 0.343 4.693 4.350 -0.000 0.000 0.311 333 T C -0.447 173.995 174.700 -0.431 0.000 1.033 333 T CA -0.729 61.201 62.100 -0.282 0.000 0.991 333 T CB 1.361 69.873 68.868 -0.594 0.000 0.981 333 T HN 0.172 nan 8.240 nan 0.000 0.457 334 K N 3.517 123.502 120.400 -0.692 0.000 2.480 334 K HA 0.130 4.449 4.320 -0.000 0.000 0.241 334 K C 1.132 176.825 176.600 -1.511 0.000 1.261 334 K CA -0.273 55.059 56.287 -1.591 0.000 1.193 334 K CB -0.452 31.225 32.500 -1.371 0.000 1.598 334 K HN 0.688 nan 8.250 nan 0.000 0.278 335 F N -0.577 118.844 119.950 -0.881 0.000 2.236 335 F HA -0.221 4.306 4.527 -0.000 0.000 0.302 335 F C 1.529 177.140 175.800 -0.314 0.000 1.073 335 F CA 0.488 58.191 58.000 -0.496 0.000 1.336 335 F CB -0.863 38.006 39.000 -0.218 0.000 1.040 335 F HN 0.422 nan 8.300 nan 0.000 0.507 336 W N 1.392 122.279 121.300 -0.688 0.000 2.465 336 W HA 0.084 4.744 4.660 -0.000 0.000 0.268 336 W C 1.500 177.834 176.519 -0.308 0.000 1.242 336 W CA 0.869 57.958 57.345 -0.427 0.000 1.248 336 W CB -1.252 27.859 29.460 -0.582 0.000 1.118 336 W HN 0.104 nan 8.180 nan 0.000 0.587 337 E N 0.926 120.730 120.200 -0.660 0.000 2.338 337 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 337 E C 1.226 177.675 176.600 -0.251 0.000 1.007 337 E CA 1.208 57.311 56.400 -0.496 0.000 0.849 337 E CB -0.332 29.085 29.700 -0.472 0.000 0.774 337 E HN 0.348 nan 8.360 nan 0.000 0.506 338 D N 1.099 121.405 120.400 -0.156 0.000 2.312 338 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 338 D C 0.864 177.185 176.300 0.035 0.000 0.964 338 D CA 0.807 54.785 54.000 -0.036 0.000 0.877 338 D CB -0.018 40.791 40.800 0.015 0.000 0.924 338 D HN 0.117 nan 8.370 nan 0.000 0.515 339 D N -0.544 119.893 120.400 0.061 0.000 2.328 339 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 339 D C 1.371 177.627 176.300 -0.073 0.000 1.072 339 D CA 0.243 54.304 54.000 0.102 0.000 0.850 339 D CB 0.690 41.679 40.800 0.316 0.000 0.922 339 D HN 0.198 nan 8.370 nan 0.000 0.516 340 G N 1.440 110.164 108.800 -0.128 0.000 2.136 340 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 340 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 340 G C 0.277 174.993 174.900 -0.305 0.000 0.989 340 G CA -0.257 44.751 45.100 -0.155 0.000 0.682 340 G HN 0.357 nan 8.290 nan 0.000 0.522 341 I N 1.536 121.842 120.570 -0.439 0.000 2.342 341 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 341 I C 0.063 175.800 176.117 -0.633 0.000 1.010 341 I CA -0.626 60.395 61.300 -0.464 0.000 1.308 341 I CB 0.866 38.566 38.000 -0.501 0.000 1.400 341 I HN 0.082 nan 8.210 nan 0.000 0.488 342 H N 5.455 124.485 119.070 -0.066 0.000 2.974 342 H HA 0.409 4.965 4.556 -0.000 0.000 0.285 342 H C 0.310 175.605 175.328 -0.054 0.000 1.227 342 H CA -0.211 55.827 56.048 -0.017 0.000 1.569 342 H CB 1.324 31.066 29.762 -0.033 0.000 1.648 342 H HN 0.904 nan 8.280 nan 0.000 0.521 343 G N 1.072 109.882 108.800 0.016 0.000 2.757 343 G HA2 0.237 4.197 3.960 -0.000 0.000 0.638 343 G HA3 0.237 4.197 3.960 -0.000 0.000 0.638 343 G C 0.205 175.068 174.900 -0.062 0.000 1.344 343 G CA -0.178 44.882 45.100 -0.068 0.000 0.855 343 G HN 1.329 nan 8.290 nan 0.000 0.537 344 G N -0.850 107.879 108.800 -0.118 0.000 2.660 344 G HA2 0.497 4.457 3.960 -0.000 0.000 0.215 344 G HA3 0.497 4.457 3.960 -0.000 0.000 0.215 344 G C -0.198 174.689 174.900 -0.021 0.000 1.345 344 G CA 0.977 46.034 45.100 -0.071 0.000 0.877 344 G HN 2.598 nan 8.290 nan 0.000 0.549 345 K N -1.800 118.552 120.400 -0.080 0.000 2.556 345 K HA 0.782 5.102 4.320 -0.000 0.000 0.274 345 K C -0.768 175.796 176.600 -0.059 0.000 0.966 345 K CA -0.665 55.508 56.287 -0.191 0.000 0.865 345 K CB 1.664 33.725 32.500 -0.733 0.000 1.444 345 K HN 0.745 nan 8.250 nan 0.000 0.433 346 S N 0.448 116.149 115.700 0.001 0.000 2.549 346 S HA 0.535 5.005 4.470 -0.000 0.000 0.297 346 S C -0.951 173.562 174.600 -0.144 0.000 1.115 346 S CA -0.579 57.615 58.200 -0.011 0.000 1.059 346 S CB 1.713 65.026 63.200 0.188 0.000 1.046 346 S HN 0.558 nan 8.310 nan 0.000 0.506 347 T N 1.826 116.231 114.554 -0.248 0.000 2.841 347 T HA 0.700 5.050 4.350 -0.000 0.000 0.283 347 T C -0.349 174.254 174.700 -0.161 0.000 1.000 347 T CA -0.509 61.397 62.100 -0.323 0.000 0.977 347 T CB 1.743 70.456 68.868 -0.259 0.000 0.979 347 T HN 0.562 nan 8.240 nan 0.000 0.446 348 T N 0.480 114.868 114.554 -0.276 0.000 2.821 348 T HA 0.409 4.759 4.350 -0.000 0.000 0.306 348 T C -0.649 173.964 174.700 -0.144 0.000 1.313 348 T CA -0.723 61.336 62.100 -0.069 0.000 1.012 348 T CB 1.439 70.330 68.868 0.039 0.000 1.298 348 T HN 0.587 nan 8.240 nan 0.000 0.502 349 D N 1.594 121.969 120.400 -0.042 0.000 2.340 349 D HA 0.222 4.862 4.640 -0.000 0.000 0.217 349 D C 0.807 177.060 176.300 -0.078 0.000 1.081 349 D CA -0.109 53.849 54.000 -0.070 0.000 0.842 349 D CB -0.242 40.535 40.800 -0.038 0.000 0.934 349 D HN 0.378 nan 8.370 nan 0.000 0.511 350 L N 0.202 121.402 121.223 -0.038 0.000 2.472 350 L HA 0.200 4.540 4.340 -0.000 0.000 0.260 350 L C -1.088 175.698 176.870 -0.140 0.000 1.209 350 L CA -1.741 53.065 54.840 -0.058 0.000 0.817 350 L CB 0.465 42.531 42.059 0.011 0.000 1.106 350 L HN -0.247 nan 8.230 nan 0.000 0.479 351 P HA -0.156 nan 4.420 nan 0.000 0.217 351 P C 1.387 178.734 177.300 0.079 0.000 1.148 351 P CA 1.177 64.094 63.100 -0.304 0.000 0.828 351 P CB 0.210 31.606 31.700 -0.506 0.000 0.783 352 S N -1.465 114.309 115.700 0.123 0.000 2.399 352 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 352 S C 1.225 175.849 174.600 0.041 0.000 1.022 352 S CA 0.868 59.147 58.200 0.132 0.000 0.983 352 S CB -0.423 62.796 63.200 0.030 0.000 0.803 352 S HN 0.024 nan 8.310 nan 0.000 0.480 353 R N -0.997 119.447 120.500 -0.092 0.000 1.252 353 R HA -0.223 4.117 4.340 -0.000 0.000 0.031 353 R C -0.537 175.345 176.300 -0.697 0.000 0.958 353 R CA 2.097 57.996 56.100 -0.335 0.000 1.965 353 R CB -1.462 28.764 30.300 -0.122 0.000 0.201 353 R HN 0.495 nan 8.270 nan 0.000 0.724 354 F N 0.491 120.427 119.950 -0.023 0.000 2.557 354 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 354 F C 0.139 175.887 175.800 -0.087 0.000 1.141 354 F CA -0.903 57.051 58.000 -0.076 0.000 0.922 354 F CB 1.609 40.596 39.000 -0.021 0.000 1.194 354 F HN -0.144 nan 8.300 nan 0.000 0.443 355 I N 4.035 124.541 120.570 -0.106 0.000 2.339 355 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 355 I C -0.858 174.919 176.117 -0.567 0.000 0.994 355 I CA -1.049 60.081 61.300 -0.284 0.000 1.191 355 I CB 0.862 38.667 38.000 -0.326 0.000 1.343 355 I HN 0.493 nan 8.210 nan 0.000 0.458 356 Y N 5.923 125.945 120.300 -0.463 0.000 2.330 356 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 356 Y C -0.274 175.189 175.900 -0.728 0.000 1.036 356 Y CA -0.354 57.496 58.100 -0.416 0.000 1.125 356 Y CB 1.282 39.677 38.460 -0.109 0.000 1.194 356 Y HN 0.338 nan 8.280 nan 0.000 0.469 357 Y N 4.015 124.159 120.300 -0.261 0.000 2.361 357 Y HA 0.391 4.941 4.550 -0.000 0.000 0.332 357 Y C -2.065 173.630 175.900 -0.343 0.000 1.101 357 Y CA -3.020 54.773 58.100 -0.513 0.000 1.137 357 Y CB 0.651 38.746 38.460 -0.607 0.000 1.207 357 Y HN 0.423 nan 8.280 nan 0.000 0.463 358 P HA -0.032 nan 4.420 nan 0.000 0.266 358 P C -0.423 176.742 177.300 -0.225 0.000 1.195 358 P CA 0.143 63.075 63.100 -0.279 0.000 0.768 358 P CB 1.041 32.510 31.700 -0.386 0.000 0.838 359 N N 0.493 119.047 118.700 -0.244 0.000 2.236 359 N HA 0.018 4.758 4.740 -0.000 0.000 0.196 359 N C 0.524 176.023 175.510 -0.019 0.000 1.114 359 N CA 0.204 53.199 53.050 -0.091 0.000 0.859 359 N CB 0.178 38.646 38.487 -0.033 0.000 0.982 359 N HN 0.669 nan 8.380 nan 0.000 0.493 360 H N -1.295 117.734 119.070 -0.068 0.000 2.797 360 H HA 0.449 5.005 4.556 -0.000 0.000 0.372 360 H C -0.870 174.310 175.328 -0.247 0.000 1.168 360 H CA -0.660 55.309 56.048 -0.132 0.000 1.163 360 H CB 1.033 30.703 29.762 -0.153 0.000 1.778 360 H HN -0.225 nan 8.280 nan 0.000 0.551 361 N N 0.467 119.101 118.700 -0.110 0.000 2.404 361 N HA 0.313 5.053 4.740 -0.000 0.000 0.297 361 N C -1.229 174.197 175.510 -0.140 0.000 1.163 361 N CA -0.392 52.579 53.050 -0.132 0.000 0.864 361 N CB 1.825 40.306 38.487 -0.010 0.000 1.247 361 N HN 0.271 nan 8.380 nan 0.000 0.510 362 F N 0.194 120.234 119.950 0.150 0.000 2.482 362 F HA 0.215 4.742 4.527 -0.000 0.000 0.331 362 F C 1.970 177.843 175.800 0.121 0.000 1.115 362 F CA -0.881 57.216 58.000 0.162 0.000 0.955 362 F CB 1.213 40.325 39.000 0.186 0.000 1.136 362 F HN 0.493 nan 8.300 nan 0.000 0.452 363 T N -0.824 113.924 114.554 0.324 0.000 2.653 363 T HA -0.348 4.002 4.350 -0.000 0.000 0.267 363 T C 1.329 176.128 174.700 0.166 0.000 1.037 363 T CA 2.107 64.325 62.100 0.197 0.000 1.159 363 T CB -0.679 68.285 68.868 0.161 0.000 0.859 363 T HN 0.587 nan 8.240 nan 0.000 0.449 364 N N 2.011 120.823 118.700 0.187 0.000 2.571 364 N HA 0.235 4.975 4.740 -0.000 0.000 0.189 364 N C 1.482 177.075 175.510 0.138 0.000 1.154 364 N CA 0.745 53.883 53.050 0.147 0.000 0.907 364 N CB -0.815 37.761 38.487 0.148 0.000 0.977 364 N HN 0.819 nan 8.380 nan 0.000 0.449 365 G N -1.420 107.475 108.800 0.159 0.000 2.179 365 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 365 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 365 G C -0.135 174.838 174.900 0.123 0.000 0.977 365 G CA 0.259 45.424 45.100 0.108 0.000 0.641 365 G HN 0.333 nan 8.290 nan 0.000 0.533 366 V N 0.568 120.609 119.914 0.212 0.000 2.811 366 V HA 0.590 4.709 4.120 -0.000 0.000 0.302 366 V C 1.103 177.371 176.094 0.290 0.000 1.063 366 V CA 0.829 63.252 62.300 0.204 0.000 1.088 366 V CB 1.551 33.479 31.823 0.175 0.000 0.982 366 V HN 0.980 nan 8.190 nan 0.000 0.485 367 G N 2.922 111.849 108.800 0.211 0.000 2.617 367 G HA2 0.600 4.560 3.960 -0.000 0.000 0.306 367 G HA3 0.600 4.560 3.960 -0.000 0.000 0.306 367 G C -1.496 173.536 174.900 0.221 0.000 1.360 367 G CA -0.416 44.868 45.100 0.307 0.000 0.983 367 G HN 0.553 nan 8.290 nan 0.000 0.496 368 V N 3.443 123.417 119.914 0.100 0.000 2.384 368 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 368 V C 0.340 176.328 176.094 -0.177 0.000 1.020 368 V CA -0.655 61.619 62.300 -0.043 0.000 0.850 368 V CB 0.919 32.775 31.823 0.054 0.000 0.987 368 V HN 0.742 nan 8.190 nan 0.000 0.436 369 I N 3.202 123.583 120.570 -0.315 0.000 2.607 369 I HA 0.749 4.919 4.170 -0.000 0.000 0.305 369 I C -0.718 175.173 176.117 -0.377 0.000 0.995 369 I CA -0.742 60.244 61.300 -0.523 0.000 1.148 369 I CB 1.829 39.365 38.000 -0.773 0.000 1.323 369 I HN 0.380 nan 8.210 nan 0.000 0.461 370 I N 3.668 123.993 120.570 -0.408 0.000 2.545 370 I HA 0.633 4.802 4.170 -0.000 0.000 0.292 370 I C -0.180 175.762 176.117 -0.292 0.000 1.040 370 I CA -0.817 60.214 61.300 -0.448 0.000 1.068 370 I CB 2.064 39.777 38.000 -0.478 0.000 1.251 370 I HN 0.765 nan 8.210 nan 0.000 0.424 371 A N 5.463 128.094 122.820 -0.315 0.000 2.260 371 A HA 0.658 4.978 4.320 -0.000 0.000 0.314 371 A C -1.504 176.047 177.584 -0.054 0.000 1.257 371 A CA -0.298 51.648 52.037 -0.152 0.000 0.871 371 A CB 0.551 19.420 19.000 -0.219 0.000 1.166 371 A HN 0.594 nan 8.150 nan 0.000 0.522 372 Y N 1.877 122.173 120.300 -0.008 0.000 2.373 372 Y HA 0.630 5.180 4.550 -0.000 0.000 0.336 372 Y C 0.031 176.026 175.900 0.158 0.000 0.979 372 Y CA -1.124 56.986 58.100 0.017 0.000 1.080 372 Y CB 1.588 40.046 38.460 -0.003 0.000 1.190 372 Y HN 0.847 nan 8.280 nan 0.000 0.446 373 G N 5.076 113.934 108.800 0.096 0.000 2.574 373 G HA2 0.668 4.628 3.960 -0.000 0.000 0.299 373 G HA3 0.668 4.628 3.960 -0.000 0.000 0.299 373 G C -1.803 173.047 174.900 -0.083 0.000 1.298 373 G CA -0.891 44.206 45.100 -0.006 0.000 0.952 373 G HN 0.686 nan 8.290 nan 0.000 0.477 374 I N -1.243 119.263 120.570 -0.108 0.000 3.002 374 I HA 0.947 5.117 4.170 -0.000 0.000 0.310 374 I C 0.981 177.118 176.117 0.033 0.000 1.087 374 I CA -0.490 60.780 61.300 -0.050 0.000 1.017 374 I CB 1.210 39.104 38.000 -0.177 0.000 1.226 374 I HN 1.535 nan 8.210 nan 0.000 0.443 375 G N 1.920 110.765 108.800 0.076 0.000 2.614 375 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.303 375 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.303 375 G C 0.548 175.551 174.900 0.171 0.000 1.270 375 G CA 0.873 46.049 45.100 0.128 0.000 0.988 375 G HN 0.817 nan 8.290 nan 0.000 0.551 376 D N 0.773 121.287 120.400 0.190 0.000 2.221 376 D HA -0.020 4.620 4.640 -0.000 0.000 0.204 376 D C 2.046 178.454 176.300 0.179 0.000 0.982 376 D CA 1.401 55.518 54.000 0.194 0.000 0.857 376 D CB -0.291 40.630 40.800 0.203 0.000 0.934 376 D HN 0.417 nan 8.370 nan 0.000 0.475 377 D N 0.116 120.603 120.400 0.145 0.000 2.144 377 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 377 D C 1.976 178.448 176.300 0.286 0.000 0.978 377 D CA 1.055 55.143 54.000 0.147 0.000 0.833 377 D CB -0.089 40.779 40.800 0.113 0.000 0.961 377 D HN 0.164 nan 8.370 nan 0.000 0.470 378 A N 1.130 124.115 122.820 0.275 0.000 1.897 378 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 378 A C 1.917 179.721 177.584 0.367 0.000 1.181 378 A CA 0.894 53.145 52.037 0.357 0.000 0.620 378 A CB -0.360 18.791 19.000 0.252 0.000 0.821 378 A HN 0.086 nan 8.150 nan 0.000 0.443 379 N N -0.712 118.145 118.700 0.263 0.000 2.348 379 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 379 N C 1.258 176.875 175.510 0.178 0.000 1.019 379 N CA 1.132 54.305 53.050 0.205 0.000 0.880 379 N CB -0.598 37.992 38.487 0.173 0.000 0.965 379 N HN 0.546 nan 8.380 nan 0.000 0.437 380 F N 0.811 120.774 119.950 0.021 0.000 2.126 380 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 380 F C 1.495 177.165 175.800 -0.216 0.000 1.096 380 F CA 1.406 59.306 58.000 -0.167 0.000 1.255 380 F CB -0.327 38.449 39.000 -0.374 0.000 0.997 380 F HN -0.094 nan 8.300 nan 0.000 0.479 381 F N -0.241 119.765 119.950 0.094 0.000 2.743 381 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 381 F C 2.356 178.137 175.800 -0.032 0.000 1.131 381 F CA 0.511 58.506 58.000 -0.008 0.000 1.426 381 F CB -0.981 38.058 39.000 0.066 0.000 1.116 381 F HN -0.002 nan 8.300 nan 0.000 0.583 382 Q N 0.902 120.797 119.800 0.158 0.000 2.096 382 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 382 Q C 2.191 178.219 176.000 0.047 0.000 0.993 382 Q CA 2.105 57.967 55.803 0.099 0.000 0.862 382 Q CB -0.217 28.571 28.738 0.085 0.000 0.915 382 Q HN 0.422 nan 8.270 nan 0.000 0.416 383 A N -0.525 122.292 122.820 -0.004 0.000 2.251 383 A HA 0.197 4.516 4.320 -0.000 0.000 0.209 383 A C 0.412 177.986 177.584 -0.016 0.000 1.187 383 A CA -0.120 51.907 52.037 -0.017 0.000 0.823 383 A CB 0.088 19.061 19.000 -0.045 0.000 0.846 383 A HN 0.255 nan 8.150 nan 0.000 0.486 384 L N 1.504 122.722 121.223 -0.008 0.000 2.350 384 L HA 0.304 4.644 4.340 -0.000 0.000 0.275 384 L C -0.038 176.868 176.870 0.060 0.000 1.099 384 L CA -1.008 53.839 54.840 0.011 0.000 0.808 384 L CB 0.895 42.958 42.059 0.007 0.000 1.149 384 L HN 0.382 nan 8.230 nan 0.000 0.442 385 D N 0.766 121.207 120.400 0.068 0.000 2.384 385 D HA -0.053 4.587 4.640 -0.000 0.000 0.244 385 D C 0.941 177.330 176.300 0.149 0.000 1.251 385 D CA -0.284 53.783 54.000 0.111 0.000 0.961 385 D CB 0.549 41.414 40.800 0.107 0.000 1.116 385 D HN 0.402 nan 8.370 nan 0.000 0.484 386 F N 0.318 120.293 119.950 0.042 0.000 2.043 386 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 386 F C 2.160 178.001 175.800 0.068 0.000 1.118 386 F CA 2.105 60.132 58.000 0.045 0.000 1.202 386 F CB -0.079 38.945 39.000 0.040 0.000 0.965 386 F HN 0.269 nan 8.300 nan 0.000 0.482 387 K N -0.368 120.216 120.400 0.306 0.000 2.097 387 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 387 K C 1.728 178.403 176.600 0.125 0.000 1.049 387 K CA 1.595 58.013 56.287 0.219 0.000 0.933 387 K CB -0.353 32.274 32.500 0.212 0.000 0.717 387 K HN 0.303 nan 8.250 nan 0.000 0.442 388 D N 0.565 121.028 120.400 0.106 0.000 2.144 388 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 388 D C 1.965 178.330 176.300 0.110 0.000 0.978 388 D CA 0.847 54.903 54.000 0.093 0.000 0.833 388 D CB -0.358 40.482 40.800 0.067 0.000 0.961 388 D HN 0.197 nan 8.370 nan 0.000 0.470 389 C N 1.083 120.434 119.300 0.085 0.000 2.446 389 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 389 C C 2.922 177.918 174.990 0.009 0.000 1.275 389 C CA 0.782 59.880 59.018 0.133 0.000 1.727 389 C CB -0.944 26.777 27.740 -0.032 0.000 2.010 389 C HN 0.363 nan 8.230 nan 0.000 0.486 390 A N 0.382 123.130 122.820 -0.120 0.000 1.933 390 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 390 A C 1.805 179.420 177.584 0.051 0.000 1.175 390 A CA 2.285 54.225 52.037 -0.162 0.000 0.628 390 A CB -0.740 18.186 19.000 -0.123 0.000 0.814 390 A HN 0.607 nan 8.150 nan 0.000 0.444 391 D N -0.185 120.327 120.400 0.187 0.000 2.149 391 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 391 D C 1.687 178.109 176.300 0.203 0.000 0.990 391 D CA 1.412 55.565 54.000 0.256 0.000 0.839 391 D CB -0.206 40.695 40.800 0.168 0.000 0.948 391 D HN 0.507 nan 8.370 nan 0.000 0.460 392 I N -0.428 120.247 120.570 0.175 0.000 2.179 392 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 392 I C 2.342 178.540 176.117 0.135 0.000 1.088 392 I CA 0.610 62.023 61.300 0.189 0.000 1.357 392 I CB -0.193 38.005 38.000 0.330 0.000 1.051 392 I HN -0.001 nan 8.210 nan 0.000 0.409 393 V N 0.433 120.381 119.914 0.057 0.000 2.343 393 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 393 V C 2.279 178.338 176.094 -0.059 0.000 1.051 393 V CA 1.845 64.104 62.300 -0.069 0.000 1.036 393 V CB -0.724 30.945 31.823 -0.258 0.000 0.654 393 V HN 0.217 nan 8.190 nan 0.000 0.451 394 F N 0.944 120.898 119.950 0.007 0.000 2.134 394 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 394 F C 2.394 178.177 175.800 -0.029 0.000 1.097 394 F CA 1.460 59.454 58.000 -0.011 0.000 1.264 394 F CB -0.826 38.165 39.000 -0.015 0.000 1.001 394 F HN 0.195 nan 8.300 nan 0.000 0.479 395 N N 0.395 119.200 118.700 0.175 0.000 2.084 395 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 395 N C 1.473 176.983 175.510 0.000 0.000 1.030 395 N CA 1.617 54.708 53.050 0.068 0.000 0.849 395 N CB -0.598 37.926 38.487 0.062 0.000 1.012 395 N HN 0.229 nan 8.380 nan 0.000 0.423 396 D N 0.783 121.184 120.400 0.002 0.000 2.117 396 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 396 D C 2.195 178.443 176.300 -0.087 0.000 0.982 396 D CA 0.458 54.420 54.000 -0.064 0.000 0.828 396 D CB -0.395 40.390 40.800 -0.025 0.000 0.967 396 D HN 0.219 nan 8.370 nan 0.000 0.464 397 L N 0.446 121.678 121.223 0.015 0.000 2.083 397 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 397 L C 2.526 179.429 176.870 0.054 0.000 1.083 397 L CA 0.899 55.813 54.840 0.124 0.000 0.752 397 L CB -0.424 41.751 42.059 0.194 0.000 0.899 397 L HN 0.012 nan 8.230 nan 0.000 0.433 398 S N 0.079 115.766 115.700 -0.021 0.000 2.370 398 S HA -0.151 4.318 4.470 -0.000 0.000 0.226 398 S C 1.949 176.446 174.600 -0.172 0.000 1.033 398 S CA 1.270 59.422 58.200 -0.081 0.000 1.011 398 S CB -0.111 63.047 63.200 -0.070 0.000 0.852 398 S HN 0.311 nan 8.310 nan 0.000 0.457 399 L N 0.490 121.540 121.223 -0.288 0.000 2.095 399 L HA 0.066 4.406 4.340 -0.000 0.000 0.204 399 L C 2.352 178.774 176.870 -0.746 0.000 1.080 399 L CA 0.918 55.431 54.840 -0.546 0.000 0.759 399 L CB -0.443 41.140 42.059 -0.794 0.000 0.914 399 L HN 0.324 nan 8.230 nan 0.000 0.439 400 I N -0.796 119.387 120.570 -0.645 0.000 2.226 400 I HA -0.293 3.876 4.170 -0.000 0.000 0.245 400 I C 2.028 177.663 176.117 -0.804 0.000 1.100 400 I CA 1.249 62.181 61.300 -0.614 0.000 1.374 400 I CB -0.281 37.528 38.000 -0.319 0.000 1.057 400 I HN 0.349 nan 8.210 nan 0.000 0.413 401 H N 0.588 119.459 119.070 -0.332 0.000 2.586 401 H HA 0.191 4.747 4.556 -0.000 0.000 0.273 401 H C 0.089 175.274 175.328 -0.239 0.000 0.997 401 H CA 0.003 55.904 56.048 -0.246 0.000 1.177 401 H CB 0.390 30.238 29.762 0.142 0.000 1.471 401 H HN 0.354 nan 8.280 nan 0.000 0.538 402 Q N 0.815 120.483 119.800 -0.219 0.000 2.443 402 Q HA -0.179 4.161 4.340 -0.000 0.000 0.337 402 Q C -0.894 175.066 176.000 -0.067 0.000 1.401 402 Q CA 0.437 56.146 55.803 -0.157 0.000 0.943 402 Q CB -1.232 27.403 28.738 -0.172 0.000 1.177 402 Q HN 0.438 nan 8.270 nan 0.000 0.394 403 L N -0.152 121.033 121.223 -0.063 0.000 2.388 403 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 403 L C -2.245 174.566 176.870 -0.097 0.000 0.998 403 L CA -2.375 52.429 54.840 -0.059 0.000 0.817 403 L CB 1.964 43.980 42.059 -0.072 0.000 1.338 403 L HN -0.074 nan 8.230 nan 0.000 0.414 404 P HA 0.003 nan 4.420 nan 0.000 0.264 404 P C 0.161 177.363 177.300 -0.164 0.000 1.193 404 P CA -0.004 63.025 63.100 -0.119 0.000 0.763 404 P CB 0.705 32.336 31.700 -0.115 0.000 0.810 405 K N 4.253 124.568 120.400 -0.142 0.000 2.074 405 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 405 K C 1.365 177.810 176.600 -0.258 0.000 1.048 405 K CA 1.608 57.799 56.287 -0.159 0.000 0.926 405 K CB -0.048 32.381 32.500 -0.118 0.000 0.713 405 K HN 0.283 nan 8.250 nan 0.000 0.444 406 K N 0.401 120.655 120.400 -0.242 0.000 2.103 406 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 406 K C 1.673 178.052 176.600 -0.368 0.000 1.048 406 K CA 1.705 57.825 56.287 -0.278 0.000 0.930 406 K CB -0.158 32.220 32.500 -0.203 0.000 0.716 406 K HN 0.277 nan 8.250 nan 0.000 0.444 407 D N 1.037 121.188 120.400 -0.415 0.000 2.097 407 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 407 D C 1.921 177.610 176.300 -1.018 0.000 0.984 407 D CA 0.928 54.492 54.000 -0.728 0.000 0.826 407 D CB -0.241 40.214 40.800 -0.576 0.000 0.973 407 D HN 0.161 nan 8.370 nan 0.000 0.460 408 I N 0.611 120.838 120.570 -0.572 0.000 2.286 408 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 408 I C 2.080 178.128 176.117 -0.115 0.000 1.115 408 I CA 1.040 62.172 61.300 -0.280 0.000 1.392 408 I CB -0.303 37.626 38.000 -0.119 0.000 1.065 408 I HN -0.007 nan 8.210 nan 0.000 0.418 409 Q N -0.369 119.191 119.800 -0.401 0.000 2.437 409 Q HA -0.132 4.208 4.340 -0.000 0.000 0.210 409 Q C 2.226 178.102 176.000 -0.206 0.000 0.972 409 Q CA 1.168 56.654 55.803 -0.528 0.000 0.903 409 Q CB 0.038 28.338 28.738 -0.728 0.000 0.967 409 Q HN 0.376 nan 8.270 nan 0.000 0.486 410 S N -0.889 114.661 115.700 -0.251 0.000 2.468 410 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 410 S C 1.285 175.928 174.600 0.073 0.000 1.051 410 S CA -0.000 58.115 58.200 -0.141 0.000 0.943 410 S CB 0.121 63.164 63.200 -0.262 0.000 0.810 410 S HN 0.263 nan 8.310 nan 0.000 0.509 411 F N 2.145 122.154 119.950 0.099 0.000 2.259 411 F HA 0.249 4.776 4.527 -0.000 0.000 0.298 411 F C 1.348 177.290 175.800 0.236 0.000 1.088 411 F CA -0.757 57.340 58.000 0.162 0.000 1.358 411 F CB -0.963 38.166 39.000 0.215 0.000 1.040 411 F HN 0.245 nan 8.300 nan 0.000 0.505 412 c N -1.861 117.019 118.600 0.467 0.000 3.044 412 c HA 0.728 5.298 4.570 -0.000 0.000 0.315 412 c C -0.798 173.587 174.090 0.492 0.000 1.320 412 c CA -1.248 55.334 56.329 0.423 0.000 1.582 412 c CB 1.342 44.105 42.510 0.422 0.000 2.039 412 c HN 0.369 nan 8.230 nan 0.000 0.466 413 Y N -1.806 118.668 120.300 0.290 0.000 2.544 413 Y HA 0.696 5.246 4.550 -0.000 0.000 0.342 413 Y C -3.330 172.699 175.900 0.214 0.000 1.062 413 Y CA -2.949 55.340 58.100 0.315 0.000 1.023 413 Y CB 0.541 39.134 38.460 0.222 0.000 1.308 413 Y HN 0.403 nan 8.280 nan 0.000 0.457 414 P HA 0.151 nan 4.420 nan 0.000 0.275 414 P C 0.288 177.753 177.300 0.275 0.000 1.276 414 P CA 0.201 63.344 63.100 0.070 0.000 0.782 414 P CB 1.253 33.001 31.700 0.081 0.000 0.851 415 S N 2.328 118.009 115.700 -0.031 0.000 2.441 415 S HA 0.169 4.639 4.470 -0.000 0.000 0.224 415 S C 0.595 175.322 174.600 0.211 0.000 1.043 415 S CA 0.328 58.606 58.200 0.130 0.000 0.948 415 S CB -0.054 63.060 63.200 -0.143 0.000 0.810 415 S HN 0.213 nan 8.310 nan 0.000 0.504 416 V N 1.118 121.116 119.914 0.139 0.000 3.012 416 V HA 0.560 4.679 4.120 -0.000 0.000 0.307 416 V C -1.327 174.882 176.094 0.192 0.000 1.166 416 V CA -0.850 61.479 62.300 0.049 0.000 0.974 416 V CB 1.974 33.535 31.823 -0.436 0.000 1.040 416 V HN 0.387 nan 8.190 nan 0.000 0.428 417 I N 2.718 123.395 120.570 0.178 0.000 2.512 417 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 417 I C -1.128 174.997 176.117 0.013 0.000 1.069 417 I CA -0.515 60.816 61.300 0.051 0.000 1.056 417 I CB 2.199 40.124 38.000 -0.125 0.000 1.229 417 I HN 0.621 nan 8.210 nan 0.000 0.429 418 Q N 6.515 126.307 119.800 -0.014 0.000 2.357 418 Q HA 0.373 4.713 4.340 -0.000 0.000 0.266 418 Q C -1.335 174.515 176.000 -0.250 0.000 1.021 418 Q CA -0.422 55.249 55.803 -0.220 0.000 0.784 418 Q CB 1.212 29.779 28.738 -0.284 0.000 1.243 418 Q HN 0.388 nan 8.270 nan 0.000 0.465 419 K N 3.787 124.050 120.400 -0.228 0.000 2.354 419 K HA 0.148 4.468 4.320 -0.000 0.000 0.257 419 K C -0.161 176.376 176.600 -0.106 0.000 1.062 419 K CA -0.232 56.006 56.287 -0.083 0.000 0.971 419 K CB 0.516 33.010 32.500 -0.009 0.000 1.305 419 K HN 0.709 nan 8.250 nan 0.000 0.449 420 W N 0.969 122.313 121.300 0.073 0.000 2.392 420 W HA -0.168 4.492 4.660 -0.000 0.000 0.279 420 W C 1.880 178.425 176.519 0.042 0.000 1.225 420 W CA 0.753 58.135 57.345 0.061 0.000 1.233 420 W CB 0.106 29.609 29.460 0.071 0.000 1.122 420 W HN 0.467 nan 8.180 nan 0.000 0.561 421 S N 0.245 116.084 115.700 0.232 0.000 2.469 421 S HA -0.066 4.404 4.470 -0.000 0.000 0.238 421 S C 1.443 176.089 174.600 0.077 0.000 0.998 421 S CA 0.736 59.020 58.200 0.140 0.000 0.957 421 S CB -0.269 63.003 63.200 0.120 0.000 0.764 421 S HN 0.217 nan 8.310 nan 0.000 0.514 422 L N 0.859 122.115 121.223 0.054 0.000 2.667 422 L HA 0.270 4.610 4.340 -0.000 0.000 0.232 422 L C 0.135 176.993 176.870 -0.021 0.000 1.138 422 L CA -0.164 54.679 54.840 0.006 0.000 0.921 422 L CB -0.187 41.868 42.059 -0.008 0.000 1.180 422 L HN 0.101 nan 8.230 nan 0.000 0.487 423 D N 1.378 121.792 120.400 0.024 0.000 2.371 423 D HA -0.019 4.621 4.640 -0.000 0.000 0.256 423 D C 1.502 177.790 176.300 -0.020 0.000 1.193 423 D CA -0.058 53.956 54.000 0.024 0.000 0.881 423 D CB 0.993 41.928 40.800 0.224 0.000 1.143 423 D HN 0.174 nan 8.370 nan 0.000 0.473 424 K N 2.492 122.800 120.400 -0.153 0.000 2.360 424 K HA -0.216 4.104 4.320 -0.000 0.000 0.201 424 K C 0.481 176.882 176.600 -0.333 0.000 1.046 424 K CA 1.288 57.399 56.287 -0.292 0.000 0.945 424 K CB -0.105 32.122 32.500 -0.455 0.000 0.750 424 K HN 0.479 nan 8.250 nan 0.000 0.464 425 Y N 0.382 120.715 120.300 0.056 0.000 2.500 425 Y HA 0.325 4.875 4.550 -0.000 0.000 0.284 425 Y C 2.647 178.575 175.900 0.046 0.000 1.118 425 Y CA 0.168 58.300 58.100 0.054 0.000 1.241 425 Y CB -0.248 38.256 38.460 0.072 0.000 1.171 425 Y HN 0.124 nan 8.280 nan 0.000 0.540 426 A N -0.023 122.928 122.820 0.219 0.000 1.897 426 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 426 A C 1.501 179.070 177.584 -0.027 0.000 1.181 426 A CA 1.606 53.716 52.037 0.123 0.000 0.620 426 A CB -0.620 18.501 19.000 0.202 0.000 0.821 426 A HN 0.474 nan 8.150 nan 0.000 0.443 427 M N -2.897 116.697 119.600 -0.011 0.000 2.856 427 M HA -0.200 4.280 4.480 -0.000 0.000 0.189 427 M C 0.398 176.595 176.300 -0.172 0.000 0.612 427 M CA 0.719 55.966 55.300 -0.089 0.000 0.673 427 M CB -2.126 30.401 32.600 -0.122 0.000 2.440 427 M HN 0.941 nan 8.290 nan 0.000 0.437 428 G N -1.795 106.937 108.800 -0.114 0.000 2.368 428 G HA2 0.520 4.480 3.960 -0.000 0.000 0.293 428 G HA3 0.520 4.480 3.960 -0.000 0.000 0.293 428 G C -0.018 174.950 174.900 0.112 0.000 1.467 428 G CA -0.311 44.727 45.100 -0.102 0.000 0.804 428 G HN 0.291 nan 8.290 nan 0.000 0.535 429 G N -0.872 108.057 108.800 0.215 0.000 2.648 429 G HA2 0.440 4.400 3.960 -0.000 0.000 0.217 429 G HA3 0.440 4.400 3.960 -0.000 0.000 0.217 429 G C 0.355 175.337 174.900 0.136 0.000 1.386 429 G CA 0.319 45.543 45.100 0.205 0.000 0.920 429 G HN 0.708 nan 8.290 nan 0.000 0.540 430 I N 0.759 121.397 120.570 0.113 0.000 2.509 430 I HA 0.244 4.414 4.170 -0.000 0.000 0.293 430 I C -0.447 175.554 176.117 -0.193 0.000 1.020 430 I CA -0.638 60.647 61.300 -0.025 0.000 1.088 430 I CB 2.420 40.361 38.000 -0.098 0.000 1.267 430 I HN 0.015 nan 8.210 nan 0.000 0.430 431 T N 4.005 118.274 114.554 -0.475 0.000 2.871 431 T HA 0.102 4.452 4.350 -0.000 0.000 0.296 431 T C 0.003 174.371 174.700 -0.554 0.000 0.998 431 T CA 0.399 61.936 62.100 -0.939 0.000 1.162 431 T CB -0.118 68.179 68.868 -0.951 0.000 0.947 431 T HN 0.570 nan 8.240 nan 0.000 0.536 432 T N 4.929 119.283 114.554 -0.334 0.000 3.078 432 T HA 0.325 4.675 4.350 -0.000 0.000 0.328 432 T C -0.423 174.437 174.700 0.266 0.000 0.987 432 T CA -0.661 61.434 62.100 -0.008 0.000 1.049 432 T CB 0.102 69.022 68.868 0.087 0.000 1.011 432 T HN 0.281 nan 8.240 nan 0.000 0.463 433 F N 3.680 123.610 119.950 -0.034 0.000 2.529 433 F HA 0.297 4.824 4.527 -0.000 0.000 0.365 433 F C 1.743 177.627 175.800 0.139 0.000 1.102 433 F CA -0.973 57.011 58.000 -0.026 0.000 1.271 433 F CB 0.147 38.921 39.000 -0.376 0.000 1.120 433 F HN 0.465 nan 8.300 nan 0.000 0.579 434 T N 1.453 116.191 114.554 0.307 0.000 2.881 434 T HA 0.440 4.790 4.350 -0.000 0.000 0.278 434 T C -2.729 172.137 174.700 0.276 0.000 0.982 434 T CA -2.445 59.807 62.100 0.252 0.000 0.989 434 T CB 1.156 70.109 68.868 0.142 0.000 1.058 434 T HN 0.148 nan 8.240 nan 0.000 0.529 435 P HA 0.018 nan 4.420 nan 0.000 0.263 435 P C -0.330 177.172 177.300 0.337 0.000 1.168 435 P CA 0.598 63.864 63.100 0.276 0.000 0.759 435 P CB -0.263 31.609 31.700 0.286 0.000 0.782 436 Y N -0.373 119.995 120.300 0.114 0.000 4.779 436 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 436 Y C 1.883 177.748 175.900 -0.057 0.000 0.973 436 Y CA 1.408 59.512 58.100 0.007 0.000 1.792 436 Y CB -2.177 36.211 38.460 -0.121 0.000 1.120 436 Y HN 0.457 nan 8.280 nan 0.000 0.450 437 Q N -0.650 119.198 119.800 0.079 0.000 2.167 437 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 437 Q C 1.597 177.497 176.000 -0.166 0.000 0.970 437 Q CA 1.668 57.357 55.803 -0.189 0.000 0.855 437 Q CB -0.282 28.235 28.738 -0.369 0.000 0.911 437 Q HN 0.569 nan 8.270 nan 0.000 0.438 438 F N 1.892 121.980 119.950 0.230 0.000 2.075 438 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 438 F C 2.698 178.617 175.800 0.198 0.000 1.113 438 F CA 1.839 60.081 58.000 0.404 0.000 1.218 438 F CB -0.357 38.871 39.000 0.381 0.000 0.984 438 F HN 0.162 nan 8.300 nan 0.000 0.472 439 Q N -1.311 118.674 119.800 0.308 0.000 2.245 439 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 439 Q C 1.648 177.723 176.000 0.125 0.000 0.955 439 Q CA 1.782 57.695 55.803 0.184 0.000 0.870 439 Q CB -0.674 28.137 28.738 0.122 0.000 0.945 439 Q HN 0.471 nan 8.270 nan 0.000 0.461 440 H N -0.720 118.274 119.070 -0.126 0.000 2.486 440 H HA 0.120 4.676 4.556 -0.000 0.000 0.287 440 H C 0.466 175.594 175.328 -0.334 0.000 1.010 440 H CA 0.843 56.680 56.048 -0.352 0.000 1.324 440 H CB 0.346 29.686 29.762 -0.704 0.000 1.446 440 H HN 0.232 nan 8.280 nan 0.000 0.537 441 F N -1.161 118.718 119.950 -0.119 0.000 2.724 441 F HA 0.257 4.784 4.527 -0.000 0.000 0.306 441 F C 2.352 178.110 175.800 -0.070 0.000 1.100 441 F CA 0.167 58.035 58.000 -0.220 0.000 1.255 441 F CB -0.197 38.587 39.000 -0.360 0.000 1.072 441 F HN -0.005 nan 8.300 nan 0.000 0.589 442 S N 0.533 116.372 115.700 0.232 0.000 2.359 442 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 442 S C 1.616 176.328 174.600 0.186 0.000 1.039 442 S CA 2.010 60.384 58.200 0.290 0.000 1.042 442 S CB -0.296 63.116 63.200 0.355 0.000 0.915 442 S HN 0.321 nan 8.310 nan 0.000 0.439 443 D N 0.997 121.477 120.400 0.133 0.000 2.117 443 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 443 D C -0.666 175.665 176.300 0.051 0.000 0.987 443 D CA 1.093 55.146 54.000 0.088 0.000 0.829 443 D CB -1.785 39.056 40.800 0.068 0.000 0.961 443 D HN 0.322 nan 8.370 nan 0.000 0.460 444 P HA -0.047 nan 4.420 nan 0.000 0.218 444 P C 1.662 178.929 177.300 -0.056 0.000 1.149 444 P CA 0.737 63.826 63.100 -0.018 0.000 0.817 444 P CB 0.033 31.724 31.700 -0.016 0.000 0.785 445 L N -1.222 120.008 121.223 0.013 0.000 2.131 445 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 445 L C 2.345 179.216 176.870 0.001 0.000 1.087 445 L CA 1.973 56.837 54.840 0.040 0.000 0.767 445 L CB -1.436 40.748 42.059 0.207 0.000 0.917 445 L HN 0.108 nan 8.230 nan 0.000 0.441 446 T N -2.451 112.128 114.554 0.041 0.000 3.067 446 T HA 0.212 4.562 4.350 -0.000 0.000 0.261 446 T C 0.981 175.730 174.700 0.080 0.000 1.110 446 T CA 0.246 62.382 62.100 0.060 0.000 1.113 446 T CB -0.221 68.695 68.868 0.081 0.000 0.917 446 T HN 0.184 nan 8.240 nan 0.000 0.499 447 A N 2.400 125.240 122.820 0.033 0.000 2.498 447 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 447 A C 0.838 178.459 177.584 0.060 0.000 1.068 447 A CA -0.223 51.831 52.037 0.029 0.000 0.766 447 A CB -0.027 18.966 19.000 -0.011 0.000 1.003 447 A HN 0.712 nan 8.150 nan 0.000 0.497 448 S N 1.327 117.036 115.700 0.016 0.000 2.672 448 S HA 0.584 5.054 4.470 -0.000 0.000 0.276 448 S C -0.333 174.223 174.600 -0.072 0.000 1.207 448 S CA -0.589 57.556 58.200 -0.092 0.000 1.002 448 S CB 1.315 64.151 63.200 -0.608 0.000 0.998 448 S HN 0.805 nan 8.310 nan 0.000 0.542 449 Q N 0.524 120.292 119.800 -0.052 0.000 2.414 449 Q HA 0.497 4.837 4.340 -0.000 0.000 0.256 449 Q C 0.549 176.528 176.000 -0.035 0.000 0.974 449 Q CA 0.168 55.961 55.803 -0.017 0.000 0.723 449 Q CB 0.352 29.114 28.738 0.041 0.000 1.281 449 Q HN 1.328 nan 8.270 nan 0.000 0.470 450 G N 3.295 112.069 108.800 -0.044 0.000 2.565 450 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.295 450 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.295 450 G C 0.282 175.184 174.900 0.003 0.000 1.165 450 G CA 0.295 45.394 45.100 -0.002 0.000 0.977 450 G HN 0.659 nan 8.290 nan 0.000 0.546 451 R N 0.152 120.692 120.500 0.066 0.000 2.388 451 R HA 0.402 4.742 4.340 -0.000 0.000 0.247 451 R C 0.414 176.860 176.300 0.244 0.000 0.931 451 R CA -0.006 56.227 56.100 0.221 0.000 1.082 451 R CB 0.092 30.417 30.300 0.042 0.000 1.135 451 R HN 0.422 nan 8.270 nan 0.000 0.525 452 I N 1.186 121.777 120.570 0.034 0.000 2.339 452 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 452 I C -0.645 175.351 176.117 -0.203 0.000 0.994 452 I CA -0.774 60.522 61.300 -0.007 0.000 1.191 452 I CB 0.761 38.774 38.000 0.022 0.000 1.343 452 I HN -0.085 nan 8.210 nan 0.000 0.458 453 Y N 5.492 125.694 120.300 -0.163 0.000 2.567 453 Y HA 0.629 5.179 4.550 -0.000 0.000 0.333 453 Y C -0.473 175.203 175.900 -0.373 0.000 1.106 453 Y CA -0.801 57.245 58.100 -0.090 0.000 1.157 453 Y CB 1.544 39.989 38.460 -0.026 0.000 1.277 453 Y HN 0.265 nan 8.280 nan 0.000 0.490 454 F N 0.392 120.453 119.950 0.184 0.000 2.565 454 F HA 0.812 5.339 4.527 -0.000 0.000 0.313 454 F C -0.084 175.738 175.800 0.036 0.000 1.091 454 F CA -0.851 57.218 58.000 0.115 0.000 0.915 454 F CB 1.934 40.994 39.000 0.099 0.000 1.208 454 F HN 0.533 nan 8.300 nan 0.000 0.453 455 A N 1.163 124.074 122.820 0.151 0.000 2.593 455 A HA 0.996 5.316 4.320 -0.000 0.000 0.290 455 A C -0.413 177.144 177.584 -0.046 0.000 1.126 455 A CA -0.365 51.679 52.037 0.011 0.000 0.695 455 A CB 1.694 20.701 19.000 0.012 0.000 1.290 455 A HN 1.757 nan 8.150 nan 0.000 0.414 456 G N -0.860 107.885 108.800 -0.092 0.000 2.362 456 G HA2 0.280 4.240 3.960 -0.000 0.000 0.656 456 G HA3 0.280 4.240 3.960 -0.000 0.000 0.656 456 G C 0.299 175.144 174.900 -0.091 0.000 1.376 456 G CA 0.402 45.477 45.100 -0.042 0.000 0.971 456 G HN 1.185 nan 8.290 nan 0.000 0.636 457 E N -0.654 119.570 120.200 0.040 0.000 2.086 457 E HA -0.310 4.040 4.350 -0.000 0.000 0.200 457 E C 2.108 178.756 176.600 0.080 0.000 1.012 457 E CA 2.691 59.132 56.400 0.068 0.000 0.812 457 E CB -0.320 29.430 29.700 0.083 0.000 0.743 457 E HN 0.886 nan 8.360 nan 0.000 0.453 458 Y N 0.332 120.663 120.300 0.051 0.000 2.483 458 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 458 Y C 2.137 178.134 175.900 0.163 0.000 1.143 458 Y CA 1.398 59.509 58.100 0.017 0.000 1.289 458 Y CB -0.908 37.590 38.460 0.065 0.000 0.983 458 Y HN 0.067 nan 8.280 nan 0.000 0.556 459 T N -2.213 112.079 114.554 -0.436 0.000 3.060 459 T HA 0.535 4.885 4.350 -0.000 0.000 0.249 459 T C 0.929 175.604 174.700 -0.043 0.000 1.079 459 T CA 0.030 61.980 62.100 -0.249 0.000 1.013 459 T CB -0.511 68.147 68.868 -0.350 0.000 0.975 459 T HN 0.479 nan 8.240 nan 0.000 0.518 460 A N 1.293 124.106 122.820 -0.011 0.000 2.366 460 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 460 A C 1.362 178.948 177.584 0.003 0.000 1.084 460 A CA -0.455 51.583 52.037 0.001 0.000 0.794 460 A CB 0.313 19.320 19.000 0.012 0.000 1.034 460 A HN 0.429 nan 8.150 nan 0.000 0.491 461 Q N -0.455 119.337 119.800 -0.014 0.000 2.230 461 Q HA 0.084 4.424 4.340 -0.000 0.000 0.202 461 Q C 0.513 176.449 176.000 -0.106 0.000 0.963 461 Q CA 1.167 56.964 55.803 -0.009 0.000 0.866 461 Q CB 0.010 28.758 28.738 0.017 0.000 0.931 461 Q HN 0.786 nan 8.270 nan 0.000 0.452 462 A N 0.495 123.239 122.820 -0.127 0.000 2.371 462 A HA 0.527 4.847 4.320 -0.000 0.000 0.311 462 A C -1.282 176.248 177.584 -0.091 0.000 1.068 462 A CA -0.803 51.157 52.037 -0.128 0.000 0.744 462 A CB 0.822 19.845 19.000 0.039 0.000 1.239 462 A HN 0.137 nan 8.150 nan 0.000 0.435 463 H N 0.244 119.362 119.070 0.081 0.000 2.479 463 H HA 0.559 5.115 4.556 -0.000 0.000 0.335 463 H C 1.119 176.405 175.328 -0.069 0.000 1.142 463 H CA 0.194 56.218 56.048 -0.039 0.000 1.234 463 H CB 1.572 31.224 29.762 -0.182 0.000 1.503 463 H HN 1.543 nan 8.280 nan 0.000 0.510 464 G N 1.285 110.038 108.800 -0.078 0.000 2.132 464 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.234 464 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.234 464 G C -0.750 173.651 174.900 -0.830 0.000 0.989 464 G CA -0.208 44.632 45.100 -0.432 0.000 0.676 464 G HN 0.571 nan 8.290 nan 0.000 0.522 465 W N -1.186 120.146 121.300 0.054 0.000 2.957 465 W HA 0.659 5.319 4.660 -0.000 0.000 0.336 465 W C 1.188 177.705 176.519 -0.005 0.000 1.087 465 W CA -1.197 56.182 57.345 0.058 0.000 1.235 465 W CB 0.727 30.246 29.460 0.099 0.000 1.399 465 W HN -0.062 nan 8.180 nan 0.000 0.480 466 I N 0.946 121.659 120.570 0.238 0.000 2.208 466 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 466 I C 2.030 178.201 176.117 0.090 0.000 1.097 466 I CA 1.895 63.268 61.300 0.122 0.000 1.363 466 I CB -0.219 37.851 38.000 0.118 0.000 1.051 466 I HN 0.582 nan 8.210 nan 0.000 0.413 467 D N 0.257 120.705 120.400 0.079 0.000 2.106 467 D HA -0.243 4.397 4.640 -0.000 0.000 0.191 467 D C 2.303 178.574 176.300 -0.050 0.000 0.997 467 D CA 1.855 55.827 54.000 -0.047 0.000 0.834 467 D CB 0.010 40.587 40.800 -0.372 0.000 0.956 467 D HN 0.105 nan 8.370 nan 0.000 0.448 468 S N -1.724 113.935 115.700 -0.069 0.000 2.402 468 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 468 S C 1.933 176.522 174.600 -0.018 0.000 1.021 468 S CA 1.688 59.870 58.200 -0.030 0.000 0.974 468 S CB -0.493 62.709 63.200 0.004 0.000 0.800 468 S HN 0.330 nan 8.310 nan 0.000 0.484 469 T N 2.320 116.880 114.554 0.010 0.000 2.737 469 T HA 0.048 4.398 4.350 -0.000 0.000 0.265 469 T C 1.683 176.362 174.700 -0.035 0.000 1.038 469 T CA 1.400 63.496 62.100 -0.006 0.000 1.144 469 T CB -0.320 68.555 68.868 0.012 0.000 0.866 469 T HN 0.380 nan 8.240 nan 0.000 0.434 470 I N 0.773 121.326 120.570 -0.028 0.000 2.208 470 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 470 I C 2.672 178.742 176.117 -0.078 0.000 1.097 470 I CA 1.344 62.619 61.300 -0.042 0.000 1.363 470 I CB -0.313 37.685 38.000 -0.003 0.000 1.051 470 I HN 0.182 nan 8.210 nan 0.000 0.413 471 K N 0.804 121.136 120.400 -0.113 0.000 2.103 471 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 471 K C 2.328 178.701 176.600 -0.379 0.000 1.048 471 K CA 1.832 57.944 56.287 -0.292 0.000 0.930 471 K CB -0.042 32.300 32.500 -0.262 0.000 0.716 471 K HN 0.413 nan 8.250 nan 0.000 0.444 472 S N -0.621 114.953 115.700 -0.209 0.000 2.399 472 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 472 S C 2.104 176.627 174.600 -0.128 0.000 1.022 472 S CA 1.151 59.252 58.200 -0.165 0.000 0.983 472 S CB -0.518 62.620 63.200 -0.103 0.000 0.803 472 S HN 0.412 nan 8.310 nan 0.000 0.480 473 G N 1.761 110.501 108.800 -0.101 0.000 2.394 473 G HA2 0.064 4.024 3.960 -0.000 0.000 0.215 473 G HA3 0.064 4.024 3.960 -0.000 0.000 0.215 473 G C 1.473 176.346 174.900 -0.045 0.000 1.165 473 G CA 0.688 45.755 45.100 -0.056 0.000 0.784 473 G HN 0.501 nan 8.290 nan 0.000 0.535 474 L N -0.065 121.117 121.223 -0.068 0.000 2.083 474 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 474 L C 2.912 179.843 176.870 0.101 0.000 1.083 474 L CA 1.140 56.004 54.840 0.041 0.000 0.752 474 L CB -0.375 41.742 42.059 0.098 0.000 0.899 474 L HN 0.199 nan 8.230 nan 0.000 0.433 475 R N 0.604 121.017 120.500 -0.145 0.000 2.073 475 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 475 R C 2.324 178.677 176.300 0.089 0.000 1.134 475 R CA 1.536 57.660 56.100 0.040 0.000 0.952 475 R CB -0.222 29.980 30.300 -0.164 0.000 0.850 475 R HN 0.316 nan 8.270 nan 0.000 0.433 476 A N 0.711 123.542 122.820 0.017 0.000 1.930 476 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 476 A C 2.335 179.832 177.584 -0.145 0.000 1.175 476 A CA 1.560 53.594 52.037 -0.006 0.000 0.627 476 A CB -0.626 18.390 19.000 0.027 0.000 0.815 476 A HN 0.551 nan 8.150 nan 0.000 0.443 477 A N -0.281 122.487 122.820 -0.086 0.000 1.898 477 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 477 A C 2.247 179.756 177.584 -0.126 0.000 1.181 477 A CA 1.679 53.641 52.037 -0.124 0.000 0.620 477 A CB -0.479 18.503 19.000 -0.030 0.000 0.819 477 A HN 0.549 nan 8.150 nan 0.000 0.442 478 R N -0.347 120.150 120.500 -0.005 0.000 2.081 478 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 478 R C 1.376 177.632 176.300 -0.073 0.000 1.131 478 R CA 1.780 57.883 56.100 0.004 0.000 0.960 478 R CB -0.321 30.045 30.300 0.111 0.000 0.856 478 R HN 0.443 nan 8.270 nan 0.000 0.436 479 D N -0.155 120.196 120.400 -0.081 0.000 2.144 479 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 479 D C 1.898 177.987 176.300 -0.351 0.000 0.984 479 D CA 1.096 55.031 54.000 -0.109 0.000 0.834 479 D CB -0.058 40.761 40.800 0.032 0.000 0.955 479 D HN 0.116 nan 8.370 nan 0.000 0.465 480 V N 1.176 120.708 119.914 -0.637 0.000 2.379 480 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 480 V C 2.195 177.918 176.094 -0.619 0.000 1.044 480 V CA 1.411 63.161 62.300 -0.916 0.000 1.036 480 V CB -0.497 30.749 31.823 -0.962 0.000 0.664 480 V HN 0.122 nan 8.190 nan 0.000 0.453 481 N N 0.336 118.807 118.700 -0.383 0.000 2.120 481 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 481 N C 1.658 177.111 175.510 -0.095 0.000 1.024 481 N CA 1.596 54.536 53.050 -0.184 0.000 0.852 481 N CB -0.264 38.190 38.487 -0.056 0.000 1.003 481 N HN 0.435 nan 8.380 nan 0.000 0.424 482 L N -0.472 120.689 121.223 -0.104 0.000 2.093 482 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 482 L C 2.358 179.208 176.870 -0.032 0.000 1.085 482 L CA 1.082 55.896 54.840 -0.044 0.000 0.755 482 L CB -0.566 41.478 42.059 -0.025 0.000 0.904 482 L HN 0.199 nan 8.230 nan 0.000 0.435 483 A N 0.246 123.010 122.820 -0.093 0.000 1.969 483 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 483 A C 2.514 180.129 177.584 0.052 0.000 1.169 483 A CA 1.747 53.773 52.037 -0.019 0.000 0.635 483 A CB -0.579 18.379 19.000 -0.069 0.000 0.810 483 A HN 0.516 nan 8.150 nan 0.000 0.445 484 S N -0.011 115.674 115.700 -0.025 0.000 2.423 484 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 484 S C 1.499 176.177 174.600 0.131 0.000 1.014 484 S CA 1.331 59.614 58.200 0.139 0.000 0.965 484 S CB -0.365 62.945 63.200 0.182 0.000 0.785 484 S HN 0.703 nan 8.310 nan 0.000 0.495 485 E N 1.338 121.586 120.200 0.081 0.000 2.170 485 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 485 E C 0.976 177.614 176.600 0.064 0.000 0.981 485 E CA 0.197 56.635 56.400 0.064 0.000 0.830 485 E CB -0.133 29.591 29.700 0.040 0.000 0.775 485 E HN 0.615 nan 8.360 nan 0.000 0.470 486 N N 0.000 118.743 118.700 0.072 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.094 53.050 0.073 0.000 0.885 486 N CB 0.000 38.535 38.487 0.080 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667