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 1set_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVDLKRLRQE PEVFHRAIRE KGVALDLEAL LALDREVQEL KKRLQEVQTE DATA SEQUENCE RNQVAKRVPK APPEEKEALI ARGKALGEEA KRLEEALREK EARLEALLLQ DATA SEQUENCE VPLPPWPGAP VGGEEANREI KRVGGPPEFS FPPLDHVALM EKNGWWEPRI DATA SEQUENCE SQVSGSRSYA LKGDLALYEL ALLRFAMDFM ARRGFLPMTL PSYAREKAFL DATA SEQUENCE GTGHFPAYRD QVWAIAETDL YLTGTAEVVL NALHSGEILP YEALPLRYAG DATA SEQUENCE YAPAFRSEAG SFGKDVRGLM RVHQFHKVEQ YVLTEASLEA SDRAFQELLE DATA SEQUENCE NAEEILRLLE LPYRLVEVAT GDMGPGKWRQ VDIEVYLPSE GRYRETHSCS DATA SEQUENCE ALLDWQARRA NLRYRDPEGR VRYAYTLNNT ALATPRILAM LLENHQLQDG DATA SEQUENCE RVRVPQALIP YMGKEVLEPC G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.108 176.300 -0.319 0.000 1.140 1 M CA 0.000 54.967 55.300 -0.554 0.000 0.988 1 M CB 0.000 32.331 32.600 -0.447 0.000 1.302 2 V N -0.420 119.428 119.914 -0.110 0.000 2.966 2 V HA 0.709 4.828 4.120 -0.001 0.000 0.317 2 V C 0.041 176.087 176.094 -0.081 0.000 1.070 2 V CA -0.668 61.631 62.300 -0.003 0.000 1.008 2 V CB 1.743 33.566 31.823 0.000 0.000 1.070 2 V HN 0.820 nan 8.190 nan 0.000 0.457 3 D N 1.260 121.647 120.400 -0.021 0.000 2.363 3 D HA 0.121 4.761 4.640 -0.001 0.000 0.263 3 D C 0.944 177.208 176.300 -0.061 0.000 1.258 3 D CA 0.301 54.290 54.000 -0.018 0.000 0.907 3 D CB 0.819 41.653 40.800 0.057 0.000 1.107 3 D HN 0.667 nan 8.370 nan 0.000 0.495 4 L N 3.931 125.112 121.223 -0.069 0.000 2.127 4 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 4 L C 2.318 179.161 176.870 -0.045 0.000 1.089 4 L CA 1.141 55.932 54.840 -0.081 0.000 0.757 4 L CB -0.124 41.902 42.059 -0.055 0.000 0.899 4 L HN 0.505 nan 8.230 nan 0.000 0.434 5 K N 0.005 120.402 120.400 -0.005 0.000 2.147 5 K HA -0.235 4.085 4.320 -0.001 0.000 0.205 5 K C 2.247 178.874 176.600 0.043 0.000 1.049 5 K CA 1.297 57.596 56.287 0.020 0.000 0.936 5 K CB 0.020 32.541 32.500 0.034 0.000 0.722 5 K HN 0.186 nan 8.250 nan 0.000 0.446 6 R N 0.300 120.839 120.500 0.065 0.000 2.161 6 R HA -0.043 4.297 4.340 -0.001 0.000 0.213 6 R C 2.304 178.715 176.300 0.185 0.000 1.055 6 R CA 0.406 56.599 56.100 0.154 0.000 0.996 6 R CB -0.082 30.353 30.300 0.224 0.000 0.901 6 R HN 0.156 nan 8.270 nan 0.000 0.456 7 L N 2.052 123.231 121.223 -0.074 0.000 1.989 7 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 7 L C 2.137 178.985 176.870 -0.036 0.000 1.071 7 L CA 1.937 56.573 54.840 -0.341 0.000 0.749 7 L CB -0.412 41.374 42.059 -0.455 0.000 0.890 7 L HN 0.159 nan 8.230 nan 0.000 0.431 8 R N -1.161 119.332 120.500 -0.013 0.000 2.297 8 R HA -0.015 4.325 4.340 -0.001 0.000 0.197 8 R C 1.851 178.187 176.300 0.060 0.000 0.943 8 R CA 0.512 56.627 56.100 0.026 0.000 1.038 8 R CB -0.609 29.693 30.300 0.004 0.000 0.957 8 R HN 0.500 nan 8.270 nan 0.000 0.484 9 Q N 1.620 121.470 119.800 0.083 0.000 2.398 9 Q HA 0.012 4.351 4.340 -0.001 0.000 0.204 9 Q C -0.091 175.979 176.000 0.115 0.000 0.932 9 Q CA 0.929 56.784 55.803 0.085 0.000 0.916 9 Q CB 0.575 29.361 28.738 0.080 0.000 1.024 9 Q HN 0.489 nan 8.270 nan 0.000 0.504 10 E N -0.184 120.126 120.200 0.184 0.000 4.017 10 E HA 0.151 4.500 4.350 -0.001 0.000 0.205 10 E C -2.196 174.575 176.600 0.286 0.000 1.054 10 E CA -1.343 55.177 56.400 0.200 0.000 1.398 10 E CB 1.165 30.981 29.700 0.192 0.000 1.164 10 E HN 0.179 nan 8.360 nan 0.000 0.445 11 P HA -0.261 nan 4.420 nan 0.000 0.217 11 P C 1.449 178.898 177.300 0.247 0.000 1.148 11 P CA 1.150 64.414 63.100 0.272 0.000 0.828 11 P CB 0.208 31.993 31.700 0.141 0.000 0.783 12 E N 0.552 120.842 120.200 0.149 0.000 2.118 12 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 12 E C 1.903 178.555 176.600 0.087 0.000 0.992 12 E CA 1.955 58.423 56.400 0.114 0.000 0.804 12 E CB -1.681 28.055 29.700 0.061 0.000 0.741 12 E HN 0.295 nan 8.360 nan 0.000 0.458 13 V N -1.650 118.264 119.914 0.000 0.000 2.453 13 V HA -0.099 4.021 4.120 -0.001 0.000 0.247 13 V C 2.326 178.267 176.094 -0.255 0.000 1.048 13 V CA 1.281 63.477 62.300 -0.172 0.000 1.049 13 V CB -1.114 30.513 31.823 -0.326 0.000 0.672 13 V HN 0.011 nan 8.190 nan 0.000 0.457 14 F N 0.607 120.609 119.950 0.087 0.000 2.456 14 F HA 0.105 4.631 4.527 -0.001 0.000 0.298 14 F C 2.394 178.244 175.800 0.083 0.000 1.104 14 F CA 1.688 59.737 58.000 0.082 0.000 1.435 14 F CB -0.735 38.320 39.000 0.091 0.000 1.078 14 F HN 0.298 nan 8.300 nan 0.000 0.546 15 H N -0.005 119.156 119.070 0.152 0.000 2.363 15 H HA 0.005 4.560 4.556 -0.001 0.000 0.301 15 H C 2.519 177.873 175.328 0.044 0.000 1.074 15 H CA 1.566 57.670 56.048 0.094 0.000 1.354 15 H CB 0.018 29.823 29.762 0.071 0.000 1.397 15 H HN 0.004 nan 8.280 nan 0.000 0.516 16 R N -0.118 120.383 120.500 0.002 0.000 2.080 16 R HA -0.152 4.188 4.340 -0.001 0.000 0.236 16 R C 2.386 178.627 176.300 -0.098 0.000 1.137 16 R CA 1.406 57.468 56.100 -0.063 0.000 0.943 16 R CB -0.482 29.794 30.300 -0.040 0.000 0.846 16 R HN 0.402 nan 8.270 nan 0.000 0.431 17 A N 0.858 123.630 122.820 -0.080 0.000 1.940 17 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 17 A C 2.151 179.708 177.584 -0.044 0.000 1.176 17 A CA 1.522 53.521 52.037 -0.063 0.000 0.631 17 A CB -0.557 18.413 19.000 -0.050 0.000 0.814 17 A HN 0.378 nan 8.150 nan 0.000 0.446 18 I N -1.347 119.198 120.570 -0.042 0.000 2.315 18 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 18 I C 2.799 178.852 176.117 -0.107 0.000 1.117 18 I CA 0.893 62.161 61.300 -0.053 0.000 1.404 18 I CB -0.263 37.707 38.000 -0.051 0.000 1.071 18 I HN 0.223 nan 8.210 nan 0.000 0.419 19 R N 0.994 121.389 120.500 -0.175 0.000 2.056 19 R HA -0.090 4.250 4.340 -0.001 0.000 0.227 19 R C 2.057 178.302 176.300 -0.091 0.000 1.149 19 R CA 1.330 57.342 56.100 -0.146 0.000 0.937 19 R CB -0.811 29.384 30.300 -0.175 0.000 0.835 19 R HN 0.411 nan 8.270 nan 0.000 0.430 20 E N 0.668 120.815 120.200 -0.087 0.000 2.219 20 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 20 E C 1.441 178.004 176.600 -0.062 0.000 0.998 20 E CA 1.105 57.460 56.400 -0.074 0.000 0.818 20 E CB 0.004 29.652 29.700 -0.086 0.000 0.741 20 E HN 0.255 nan 8.360 nan 0.000 0.477 21 K N -0.437 119.928 120.400 -0.057 0.000 2.374 21 K HA 0.088 4.407 4.320 -0.001 0.000 0.196 21 K C 0.621 177.201 176.600 -0.033 0.000 1.023 21 K CA 0.393 56.653 56.287 -0.045 0.000 1.103 21 K CB 0.864 33.335 32.500 -0.049 0.000 0.848 21 K HN 0.178 nan 8.250 nan 0.000 0.528 22 G N 1.957 110.736 108.800 -0.035 0.000 2.323 22 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.292 22 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.292 22 G C -0.039 174.850 174.900 -0.020 0.000 1.040 22 G CA 0.012 45.097 45.100 -0.025 0.000 0.942 22 G HN 0.130 nan 8.290 nan 0.000 0.506 23 V N 0.109 120.010 119.914 -0.022 0.000 2.481 23 V HA 0.673 4.793 4.120 -0.001 0.000 0.286 23 V C 0.987 177.079 176.094 -0.004 0.000 1.042 23 V CA -0.002 62.292 62.300 -0.009 0.000 0.928 23 V CB 1.812 33.637 31.823 0.004 0.000 0.986 23 V HN 1.088 nan 8.190 nan 0.000 0.462 24 A N 5.942 128.763 122.820 0.003 0.000 3.056 24 A HA 0.577 4.897 4.320 -0.001 0.000 0.274 24 A C -0.564 177.031 177.584 0.019 0.000 1.661 24 A CA 0.066 52.108 52.037 0.009 0.000 1.363 24 A CB -0.680 18.324 19.000 0.008 0.000 1.139 24 A HN 0.623 nan 8.150 nan 0.000 0.598 25 L N 0.819 122.058 121.223 0.027 0.000 2.409 25 L HA 0.468 4.808 4.340 -0.001 0.000 0.272 25 L C -0.982 175.922 176.870 0.058 0.000 0.980 25 L CA -0.389 54.476 54.840 0.042 0.000 0.826 25 L CB 2.055 44.146 42.059 0.053 0.000 1.268 25 L HN 0.345 nan 8.230 nan 0.000 0.407 26 D N 4.100 124.535 120.400 0.059 0.000 2.422 26 D HA 0.050 4.690 4.640 -0.001 0.000 0.227 26 D C 0.948 177.300 176.300 0.086 0.000 1.190 26 D CA -0.127 53.919 54.000 0.075 0.000 0.905 26 D CB 0.914 41.745 40.800 0.052 0.000 1.034 26 D HN 0.607 nan 8.370 nan 0.000 0.507 27 L N 4.259 125.564 121.223 0.137 0.000 2.131 27 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 27 L C 1.654 178.569 176.870 0.074 0.000 1.092 27 L CA 1.752 56.668 54.840 0.127 0.000 0.759 27 L CB -0.144 42.049 42.059 0.223 0.000 0.903 27 L HN 0.276 nan 8.230 nan 0.000 0.435 28 E N -0.152 120.082 120.200 0.057 0.000 2.077 28 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 28 E C 2.245 178.856 176.600 0.018 0.000 0.989 28 E CA 1.420 57.831 56.400 0.018 0.000 0.800 28 E CB -0.599 29.101 29.700 -0.000 0.000 0.746 28 E HN 0.566 nan 8.360 nan 0.000 0.452 29 A N 0.533 123.368 122.820 0.024 0.000 2.014 29 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 29 A C 2.157 179.749 177.584 0.014 0.000 1.163 29 A CA 0.879 52.927 52.037 0.017 0.000 0.652 29 A CB -0.556 18.456 19.000 0.019 0.000 0.808 29 A HN 0.291 nan 8.150 nan 0.000 0.449 30 L N -0.600 120.634 121.223 0.018 0.000 2.027 30 L HA -0.074 4.265 4.340 -0.001 0.000 0.206 30 L C 2.314 179.185 176.870 0.001 0.000 1.074 30 L CA 1.306 56.151 54.840 0.009 0.000 0.745 30 L CB -0.219 41.846 42.059 0.011 0.000 0.898 30 L HN 0.375 nan 8.230 nan 0.000 0.433 31 L N -0.278 120.948 121.223 0.005 0.000 2.131 31 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 31 L C 2.781 179.651 176.870 -0.000 0.000 1.092 31 L CA 1.033 55.872 54.840 -0.000 0.000 0.759 31 L CB -0.772 41.291 42.059 0.007 0.000 0.903 31 L HN 0.399 nan 8.230 nan 0.000 0.435 32 A N -0.080 122.741 122.820 0.003 0.000 1.898 32 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 32 A C 2.165 179.749 177.584 0.001 0.000 1.181 32 A CA 1.400 53.438 52.037 0.002 0.000 0.620 32 A CB -0.622 18.380 19.000 0.003 0.000 0.819 32 A HN 0.311 nan 8.150 nan 0.000 0.442 33 L N 0.351 121.574 121.223 0.001 0.000 2.131 33 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 33 L C 1.869 178.737 176.870 -0.003 0.000 1.092 33 L CA 2.652 57.491 54.840 -0.000 0.000 0.759 33 L CB -0.615 41.445 42.059 0.000 0.000 0.903 33 L HN 0.508 nan 8.230 nan 0.000 0.435 34 D N -0.686 119.711 120.400 -0.006 0.000 2.097 34 D HA -0.248 4.392 4.640 -0.001 0.000 0.197 34 D C 2.391 178.688 176.300 -0.005 0.000 0.984 34 D CA 1.399 55.394 54.000 -0.009 0.000 0.826 34 D CB -0.104 40.688 40.800 -0.015 0.000 0.973 34 D HN 0.281 nan 8.370 nan 0.000 0.460 35 R N 0.185 120.683 120.500 -0.003 0.000 2.091 35 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 35 R C 2.180 178.480 176.300 -0.000 0.000 1.136 35 R CA 1.666 57.765 56.100 -0.001 0.000 0.959 35 R CB -0.102 30.198 30.300 0.000 0.000 0.856 35 R HN 0.297 nan 8.270 nan 0.000 0.437 36 E N -0.414 119.786 120.200 -0.000 0.000 2.012 36 E HA -0.210 4.140 4.350 -0.001 0.000 0.197 36 E C 2.007 178.607 176.600 -0.000 0.000 1.007 36 E CA 1.854 58.255 56.400 0.000 0.000 0.816 36 E CB -0.147 29.553 29.700 0.001 0.000 0.762 36 E HN 0.135 nan 8.360 nan 0.000 0.451 37 V N 1.095 121.009 119.914 -0.001 0.000 2.324 37 V HA -0.301 3.819 4.120 -0.001 0.000 0.250 37 V C 2.307 178.400 176.094 -0.001 0.000 1.060 37 V CA 1.942 64.241 62.300 -0.001 0.000 1.042 37 V CB -0.486 31.335 31.823 -0.003 0.000 0.650 37 V HN 0.223 nan 8.190 nan 0.000 0.450 38 Q N -0.602 119.198 119.800 -0.001 0.000 2.119 38 Q HA -0.156 4.184 4.340 -0.001 0.000 0.201 38 Q C 2.207 178.207 176.000 0.001 0.000 0.972 38 Q CA 1.398 57.201 55.803 -0.000 0.000 0.847 38 Q CB -0.289 28.449 28.738 -0.001 0.000 0.903 38 Q HN 0.595 nan 8.270 nan 0.000 0.433 39 E N -0.732 119.469 120.200 0.001 0.000 2.107 39 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 39 E C 1.493 178.093 176.600 0.001 0.000 0.982 39 E CA 0.408 56.808 56.400 0.001 0.000 0.809 39 E CB -0.128 29.573 29.700 0.001 0.000 0.756 39 E HN 0.147 nan 8.360 nan 0.000 0.459 40 L N 0.934 122.157 121.223 0.001 0.000 2.046 40 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 40 L C 1.904 178.775 176.870 0.001 0.000 1.077 40 L CA 1.707 56.548 54.840 0.001 0.000 0.747 40 L CB -0.635 41.424 42.059 0.001 0.000 0.896 40 L HN 0.054 nan 8.230 nan 0.000 0.432 41 K N -0.620 119.780 120.400 0.001 0.000 2.032 41 K HA -0.234 4.085 4.320 -0.001 0.000 0.209 41 K C 2.176 178.777 176.600 0.002 0.000 1.048 41 K CA 1.556 57.843 56.287 0.002 0.000 0.927 41 K CB -0.144 32.356 32.500 0.001 0.000 0.712 41 K HN 0.189 nan 8.250 nan 0.000 0.441 42 K N 0.873 121.274 120.400 0.002 0.000 2.026 42 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 42 K C 2.297 178.898 176.600 0.002 0.000 1.048 42 K CA 1.335 57.623 56.287 0.002 0.000 0.929 42 K CB -0.001 32.500 32.500 0.002 0.000 0.713 42 K HN -0.125 nan 8.250 nan 0.000 0.439 43 R N 1.130 121.631 120.500 0.002 0.000 2.080 43 R HA -0.136 4.204 4.340 -0.001 0.000 0.236 43 R C 2.215 178.516 176.300 0.002 0.000 1.137 43 R CA 1.495 57.596 56.100 0.002 0.000 0.943 43 R CB -1.020 29.281 30.300 0.002 0.000 0.846 43 R HN 0.283 nan 8.270 nan 0.000 0.431 44 L N 1.033 122.257 121.223 0.002 0.000 2.187 44 L HA -0.138 4.201 4.340 -0.001 0.000 0.213 44 L C 1.888 178.759 176.870 0.002 0.000 1.100 44 L CA 1.770 56.611 54.840 0.002 0.000 0.765 44 L CB -0.498 41.562 42.059 0.002 0.000 0.904 44 L HN 0.361 nan 8.230 nan 0.000 0.437 45 Q N -0.770 119.031 119.800 0.002 0.000 2.049 45 Q HA -0.190 4.149 4.340 -0.001 0.000 0.198 45 Q C 2.048 178.049 176.000 0.001 0.000 0.971 45 Q CA 1.806 57.610 55.803 0.001 0.000 0.833 45 Q CB -0.108 28.631 28.738 0.001 0.000 0.896 45 Q HN 0.611 nan 8.270 nan 0.000 0.434 46 E N 0.181 120.382 120.200 0.001 0.000 2.110 46 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 46 E C 2.155 178.756 176.600 0.001 0.000 0.988 46 E CA 1.562 57.963 56.400 0.001 0.000 0.804 46 E CB -0.137 29.564 29.700 0.001 0.000 0.745 46 E HN 0.324 nan 8.360 nan 0.000 0.458 47 V N -0.678 119.237 119.914 0.001 0.000 2.488 47 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 47 V C 2.127 178.222 176.094 0.001 0.000 1.046 47 V CA 1.434 63.735 62.300 0.001 0.000 1.053 47 V CB -0.204 31.620 31.823 0.001 0.000 0.679 47 V HN 0.042 nan 8.190 nan 0.000 0.458 48 Q N 0.921 120.722 119.800 0.001 0.000 2.135 48 Q HA -0.126 4.214 4.340 -0.001 0.000 0.204 48 Q C 2.267 178.268 176.000 0.001 0.000 0.981 48 Q CA 2.803 58.606 55.803 0.001 0.000 0.856 48 Q CB -0.883 27.856 28.738 0.001 0.000 0.902 48 Q HN 0.775 nan 8.270 nan 0.000 0.425 49 T N -0.032 114.523 114.554 0.001 0.000 2.643 49 T HA -0.195 4.154 4.350 -0.001 0.000 0.264 49 T C 1.554 176.255 174.700 0.001 0.000 1.045 49 T CA 1.550 63.651 62.100 0.001 0.000 1.155 49 T CB -0.298 68.570 68.868 0.001 0.000 0.863 49 T HN 0.420 nan 8.240 nan 0.000 0.420 50 E N 0.347 120.548 120.200 0.001 0.000 2.153 50 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 50 E C 2.569 179.169 176.600 0.001 0.000 0.988 50 E CA 0.572 56.972 56.400 0.001 0.000 0.811 50 E CB 0.083 29.783 29.700 0.001 0.000 0.746 50 E HN 0.085 nan 8.360 nan 0.000 0.466 51 R N 0.859 121.360 120.500 0.001 0.000 2.081 51 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 51 R C 2.137 178.437 176.300 0.001 0.000 1.131 51 R CA 1.312 57.413 56.100 0.001 0.000 0.960 51 R CB -0.906 29.394 30.300 0.001 0.000 0.856 51 R HN 0.386 nan 8.270 nan 0.000 0.436 52 N N 0.728 119.429 118.700 0.001 0.000 2.025 52 N HA -0.225 4.514 4.740 -0.001 0.000 0.194 52 N C 1.619 177.130 175.510 0.001 0.000 1.044 52 N CA 1.669 54.720 53.050 0.001 0.000 0.851 52 N CB 0.021 38.509 38.487 0.001 0.000 1.036 52 N HN 0.332 nan 8.380 nan 0.000 0.422 53 Q N 0.198 119.998 119.800 0.001 0.000 2.096 53 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 53 Q C 2.354 178.354 176.000 0.001 0.000 0.982 53 Q CA 1.540 57.343 55.803 0.001 0.000 0.850 53 Q CB -0.051 28.688 28.738 0.001 0.000 0.901 53 Q HN 0.238 nan 8.270 nan 0.000 0.422 54 V N 1.145 121.060 119.914 0.001 0.000 2.287 54 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 54 V C 2.303 178.398 176.094 0.001 0.000 1.053 54 V CA 1.900 64.200 62.300 0.001 0.000 1.027 54 V CB -1.096 30.728 31.823 0.001 0.000 0.646 54 V HN 0.454 nan 8.190 nan 0.000 0.447 55 A N -0.392 122.428 122.820 0.001 0.000 1.908 55 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 55 A C 2.267 179.851 177.584 0.001 0.000 1.181 55 A CA 1.696 53.733 52.037 0.001 0.000 0.627 55 A CB -0.378 18.622 19.000 0.001 0.000 0.818 55 A HN 0.438 nan 8.150 nan 0.000 0.445 56 K N -0.776 119.624 120.400 0.001 0.000 2.103 56 K HA -0.048 4.271 4.320 -0.001 0.000 0.204 56 K C 2.060 178.660 176.600 0.000 0.000 1.052 56 K CA 1.327 57.614 56.287 0.001 0.000 0.945 56 K CB -0.267 32.233 32.500 0.000 0.000 0.722 56 K HN 0.348 nan 8.250 nan 0.000 0.443 57 R N 1.452 121.952 120.500 0.000 0.000 2.127 57 R HA -0.046 4.294 4.340 -0.001 0.000 0.217 57 R C 2.055 178.355 176.300 0.000 0.000 1.074 57 R CA 0.760 56.860 56.100 0.000 0.000 0.991 57 R CB -0.634 29.667 30.300 0.000 0.000 0.895 57 R HN 0.079 nan 8.270 nan 0.000 0.450 58 V N -1.750 118.164 119.914 0.001 0.000 2.469 58 V HA -0.044 4.076 4.120 -0.001 0.000 0.251 58 V C -0.852 175.243 176.094 0.001 0.000 1.064 58 V CA 1.082 63.382 62.300 0.001 0.000 1.066 58 V CB -1.770 30.053 31.823 0.001 0.000 0.667 58 V HN 0.174 nan 8.190 nan 0.000 0.461 59 P HA -0.057 nan 4.420 nan 0.000 0.228 59 P C 1.375 178.675 177.300 0.000 0.000 1.151 59 P CA 1.386 64.486 63.100 0.000 0.000 0.770 59 P CB -0.043 31.657 31.700 0.000 0.000 0.786 60 K N -1.328 119.072 120.400 0.000 0.000 2.402 60 K HA 0.321 4.641 4.320 -0.001 0.000 0.204 60 K C 0.028 176.628 176.600 0.000 0.000 1.056 60 K CA -0.208 56.080 56.287 0.000 0.000 1.069 60 K CB 0.519 33.019 32.500 0.000 0.000 0.888 60 K HN -0.064 nan 8.250 nan 0.000 0.546 61 A N 2.665 125.485 122.820 0.000 0.000 2.362 61 A HA 0.397 4.717 4.320 -0.001 0.000 0.276 61 A C -2.503 175.082 177.584 0.000 0.000 1.153 61 A CA -1.308 50.729 52.037 0.000 0.000 0.813 61 A CB 0.122 19.123 19.000 0.000 0.000 1.081 61 A HN 0.069 nan 8.150 nan 0.000 0.507 62 P HA 0.163 nan 4.420 nan 0.000 0.268 62 P C -1.904 175.396 177.300 0.000 0.000 1.205 62 P CA -0.985 62.116 63.100 0.000 0.000 0.771 62 P CB 0.258 31.959 31.700 0.000 0.000 0.858 63 P HA -0.328 nan 4.420 nan 0.000 0.218 63 P C 1.396 178.696 177.300 0.000 0.000 1.132 63 P CA 1.758 64.859 63.100 0.000 0.000 0.968 63 P CB -0.071 31.629 31.700 0.000 0.000 0.783 64 E N -0.847 119.354 120.200 0.000 0.000 2.058 64 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 64 E C 1.752 178.352 176.600 0.000 0.000 0.997 64 E CA 1.222 57.622 56.400 0.000 0.000 0.801 64 E CB -0.230 29.470 29.700 0.000 0.000 0.746 64 E HN 0.212 nan 8.360 nan 0.000 0.450 65 E N 0.459 120.659 120.200 0.000 0.000 2.285 65 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 65 E C 1.924 178.524 176.600 0.001 0.000 0.997 65 E CA 1.103 57.503 56.400 0.000 0.000 0.845 65 E CB -0.024 29.677 29.700 0.000 0.000 0.782 65 E HN 0.340 nan 8.360 nan 0.000 0.491 66 K N 1.420 121.820 120.400 0.000 0.000 2.097 66 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 66 K C 1.712 178.312 176.600 0.001 0.000 1.050 66 K CA 1.346 57.633 56.287 0.001 0.000 0.938 66 K CB -0.226 32.275 32.500 0.001 0.000 0.718 66 K HN 0.023 nan 8.250 nan 0.000 0.442 67 E N 0.589 120.789 120.200 0.001 0.000 2.106 67 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 67 E C 2.126 178.726 176.600 0.001 0.000 0.984 67 E CA 0.983 57.383 56.400 0.001 0.000 0.806 67 E CB -0.200 29.500 29.700 0.001 0.000 0.750 67 E HN 0.494 nan 8.360 nan 0.000 0.458 68 A N 1.228 124.048 122.820 0.001 0.000 1.877 68 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 68 A C 2.196 179.781 177.584 0.001 0.000 1.186 68 A CA 1.105 53.142 52.037 0.001 0.000 0.620 68 A CB -0.635 18.366 19.000 0.001 0.000 0.822 68 A HN 0.118 nan 8.150 nan 0.000 0.443 69 L N -0.603 120.620 121.223 0.001 0.000 2.056 69 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 69 L C 2.472 179.343 176.870 0.001 0.000 1.078 69 L CA 1.009 55.849 54.840 0.001 0.000 0.749 69 L CB -0.501 41.559 42.059 0.001 0.000 0.901 69 L HN 0.356 nan 8.230 nan 0.000 0.433 70 I N 0.073 120.643 120.570 0.001 0.000 2.151 70 I HA -0.355 3.815 4.170 -0.001 0.000 0.243 70 I C 2.782 178.900 176.117 0.001 0.000 1.080 70 I CA 1.412 62.713 61.300 0.001 0.000 1.339 70 I CB -0.377 37.623 38.000 0.001 0.000 1.039 70 I HN 0.254 nan 8.210 nan 0.000 0.409 71 A N 0.490 123.310 122.820 0.001 0.000 1.898 71 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 71 A C 2.299 179.883 177.584 0.001 0.000 1.181 71 A CA 1.816 53.853 52.037 0.001 0.000 0.620 71 A CB -0.494 18.506 19.000 0.001 0.000 0.819 71 A HN 0.295 nan 8.150 nan 0.000 0.442 72 R N 0.127 120.628 120.500 0.001 0.000 2.081 72 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 72 R C 2.117 178.417 176.300 0.001 0.000 1.131 72 R CA 1.983 58.083 56.100 0.001 0.000 0.960 72 R CB -1.325 28.976 30.300 0.001 0.000 0.856 72 R HN 0.370 nan 8.270 nan 0.000 0.436 73 G N 0.365 109.165 108.800 0.001 0.000 2.432 73 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 73 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 73 G C 1.434 176.335 174.900 0.001 0.000 1.135 73 G CA 0.633 45.734 45.100 0.001 0.000 0.767 73 G HN 0.350 nan 8.290 nan 0.000 0.550 74 K N 0.339 120.739 120.400 0.001 0.000 2.025 74 K HA 0.047 4.366 4.320 -0.001 0.000 0.207 74 K C 2.910 179.511 176.600 0.001 0.000 1.049 74 K CA 0.999 57.287 56.287 0.001 0.000 0.933 74 K CB -0.225 32.275 32.500 0.001 0.000 0.714 74 K HN 0.225 nan 8.250 nan 0.000 0.438 75 A N 1.213 124.033 122.820 0.001 0.000 1.902 75 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 75 A C 2.054 179.639 177.584 0.001 0.000 1.181 75 A CA 1.251 53.289 52.037 0.001 0.000 0.623 75 A CB -0.536 18.464 19.000 0.001 0.000 0.818 75 A HN 0.269 nan 8.150 nan 0.000 0.443 76 L N -0.851 120.373 121.223 0.001 0.000 2.217 76 L HA -0.048 4.291 4.340 -0.001 0.000 0.211 76 L C 2.728 179.598 176.870 0.001 0.000 1.107 76 L CA 0.672 55.513 54.840 0.001 0.000 0.783 76 L CB -0.584 41.475 42.059 0.001 0.000 0.919 76 L HN 0.495 nan 8.230 nan 0.000 0.442 77 G N 0.071 108.871 108.800 0.001 0.000 2.414 77 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 77 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 77 G C 1.386 176.287 174.900 0.002 0.000 1.188 77 G CA 0.545 45.646 45.100 0.001 0.000 0.783 77 G HN 0.368 nan 8.290 nan 0.000 0.537 78 E N 0.150 120.351 120.200 0.002 0.000 2.077 78 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 78 E C 2.278 178.879 176.600 0.002 0.000 0.989 78 E CA 1.072 57.472 56.400 0.002 0.000 0.800 78 E CB -0.137 29.564 29.700 0.002 0.000 0.746 78 E HN 0.622 nan 8.360 nan 0.000 0.452 79 E N 0.637 120.838 120.200 0.002 0.000 2.058 79 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 79 E C 2.101 178.703 176.600 0.002 0.000 0.997 79 E CA 1.097 57.498 56.400 0.002 0.000 0.801 79 E CB -0.114 29.587 29.700 0.002 0.000 0.746 79 E HN 0.248 nan 8.360 nan 0.000 0.450 80 A N 1.730 124.551 122.820 0.002 0.000 1.908 80 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 80 A C 2.143 179.728 177.584 0.002 0.000 1.181 80 A CA 1.912 53.950 52.037 0.002 0.000 0.627 80 A CB -0.599 18.402 19.000 0.002 0.000 0.818 80 A HN 0.240 nan 8.150 nan 0.000 0.445 81 K N -0.461 119.940 120.400 0.002 0.000 2.057 81 K HA -0.159 4.161 4.320 -0.001 0.000 0.207 81 K C 2.253 178.854 176.600 0.002 0.000 1.049 81 K CA 1.467 57.755 56.287 0.002 0.000 0.931 81 K CB -0.197 32.305 32.500 0.002 0.000 0.714 81 K HN 0.461 nan 8.250 nan 0.000 0.440 82 R N 0.303 120.804 120.500 0.002 0.000 2.092 82 R HA -0.022 4.318 4.340 -0.001 0.000 0.231 82 R C 2.426 178.727 176.300 0.002 0.000 1.119 82 R CA 1.089 57.190 56.100 0.002 0.000 0.970 82 R CB -0.187 30.115 30.300 0.002 0.000 0.864 82 R HN 0.223 nan 8.270 nan 0.000 0.440 83 L N 0.368 121.592 121.223 0.002 0.000 2.093 83 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 83 L C 2.102 178.973 176.870 0.002 0.000 1.085 83 L CA 1.293 56.134 54.840 0.002 0.000 0.755 83 L CB -0.302 41.758 42.059 0.002 0.000 0.904 83 L HN 0.218 nan 8.230 nan 0.000 0.435 84 E N 0.234 120.436 120.200 0.002 0.000 2.051 84 E HA -0.238 4.112 4.350 -0.001 0.000 0.192 84 E C 2.076 178.678 176.600 0.003 0.000 0.991 84 E CA 1.361 57.763 56.400 0.003 0.000 0.799 84 E CB -0.014 29.688 29.700 0.003 0.000 0.748 84 E HN 0.500 nan 8.360 nan 0.000 0.449 85 E N 0.516 120.717 120.200 0.003 0.000 2.110 85 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 85 E C 1.996 178.598 176.600 0.003 0.000 0.988 85 E CA 0.946 57.348 56.400 0.003 0.000 0.804 85 E CB -0.093 29.608 29.700 0.003 0.000 0.745 85 E HN 0.235 nan 8.360 nan 0.000 0.458 86 A N 1.122 123.944 122.820 0.003 0.000 1.873 86 A HA -0.132 4.188 4.320 -0.001 0.000 0.215 86 A C 2.183 179.769 177.584 0.002 0.000 1.186 86 A CA 0.857 52.896 52.037 0.002 0.000 0.616 86 A CB -0.666 18.335 19.000 0.002 0.000 0.823 86 A HN 0.175 nan 8.150 nan 0.000 0.442 87 L N -0.853 120.371 121.223 0.002 0.000 2.012 87 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 87 L C 2.873 179.745 176.870 0.002 0.000 1.073 87 L CA 1.939 56.780 54.840 0.002 0.000 0.748 87 L CB -0.336 41.724 42.059 0.002 0.000 0.891 87 L HN 0.503 nan 8.230 nan 0.000 0.431 88 R N -0.341 120.161 120.500 0.003 0.000 2.083 88 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 88 R C 2.147 178.449 176.300 0.004 0.000 1.137 88 R CA 1.626 57.729 56.100 0.004 0.000 0.951 88 R CB -0.048 30.254 30.300 0.004 0.000 0.851 88 R HN 0.344 nan 8.270 nan 0.000 0.434 89 E N 0.783 120.985 120.200 0.003 0.000 2.047 89 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 89 E C 1.937 178.538 176.600 0.003 0.000 0.987 89 E CA 1.253 57.656 56.400 0.003 0.000 0.799 89 E CB -0.106 29.596 29.700 0.003 0.000 0.752 89 E HN 0.411 nan 8.360 nan 0.000 0.449 90 K N 0.739 121.141 120.400 0.002 0.000 2.097 90 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 90 K C 2.226 178.827 176.600 0.000 0.000 1.050 90 K CA 0.828 57.116 56.287 0.001 0.000 0.938 90 K CB -0.050 32.451 32.500 0.001 0.000 0.718 90 K HN 0.124 nan 8.250 nan 0.000 0.442 91 E N 0.664 120.864 120.200 0.000 0.000 2.051 91 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 91 E C 2.002 178.602 176.600 -0.001 0.000 0.991 91 E CA 1.058 57.458 56.400 -0.001 0.000 0.799 91 E CB -0.024 29.676 29.700 0.000 0.000 0.748 91 E HN 0.318 nan 8.360 nan 0.000 0.449 92 A N 1.164 123.985 122.820 0.002 0.000 1.883 92 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 92 A C 2.069 179.654 177.584 0.002 0.000 1.186 92 A CA 1.679 53.718 52.037 0.003 0.000 0.624 92 A CB -0.494 18.509 19.000 0.005 0.000 0.822 92 A HN 0.138 nan 8.150 nan 0.000 0.444 93 R N -1.198 119.303 120.500 0.002 0.000 2.081 93 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 93 R C 2.093 178.393 176.300 0.000 0.000 1.131 93 R CA 1.424 57.526 56.100 0.002 0.000 0.960 93 R CB -0.538 29.764 30.300 0.003 0.000 0.856 93 R HN 0.485 nan 8.270 nan 0.000 0.436 94 L N 1.285 122.506 121.223 -0.003 0.000 2.093 94 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 94 L C 1.892 178.756 176.870 -0.011 0.000 1.085 94 L CA 1.792 56.628 54.840 -0.007 0.000 0.755 94 L CB -0.204 41.849 42.059 -0.009 0.000 0.904 94 L HN 0.062 nan 8.230 nan 0.000 0.435 95 E N 0.053 120.247 120.200 -0.010 0.000 2.072 95 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 95 E C 2.228 178.822 176.600 -0.011 0.000 0.985 95 E CA 1.270 57.661 56.400 -0.014 0.000 0.801 95 E CB -0.528 29.167 29.700 -0.009 0.000 0.750 95 E HN 0.605 nan 8.360 nan 0.000 0.452 96 A N 1.197 124.015 122.820 -0.003 0.000 1.978 96 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 96 A C 2.341 179.927 177.584 0.003 0.000 1.170 96 A CA 1.026 53.064 52.037 0.002 0.000 0.636 96 A CB -0.574 18.429 19.000 0.004 0.000 0.810 96 A HN 0.163 nan 8.150 nan 0.000 0.448 97 L N -1.015 120.209 121.223 0.001 0.000 2.131 97 L HA -0.053 4.287 4.340 -0.001 0.000 0.206 97 L C 2.423 179.295 176.870 0.003 0.000 1.087 97 L CA 0.625 55.468 54.840 0.006 0.000 0.767 97 L CB -0.404 41.657 42.059 0.004 0.000 0.917 97 L HN 0.355 nan 8.230 nan 0.000 0.441 98 L N -0.314 120.900 121.223 -0.015 0.000 2.131 98 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 98 L C 2.316 179.169 176.870 -0.028 0.000 1.092 98 L CA 0.953 55.773 54.840 -0.033 0.000 0.759 98 L CB -0.320 41.705 42.059 -0.057 0.000 0.903 98 L HN 0.299 nan 8.230 nan 0.000 0.435 99 L N -0.671 120.538 121.223 -0.023 0.000 2.549 99 L HA -0.185 4.154 4.340 -0.001 0.000 0.229 99 L C 1.887 178.796 176.870 0.066 0.000 1.158 99 L CA 0.884 55.712 54.840 -0.020 0.000 0.842 99 L CB -0.226 41.826 42.059 -0.012 0.000 0.952 99 L HN 0.421 nan 8.230 nan 0.000 0.452 100 Q N -1.324 118.527 119.800 0.085 0.000 2.217 100 Q HA 0.144 4.483 4.340 -0.001 0.000 0.217 100 Q C 0.089 176.185 176.000 0.159 0.000 0.844 100 Q CA -0.214 55.661 55.803 0.120 0.000 0.957 100 Q CB 1.231 30.008 28.738 0.065 0.000 1.127 100 Q HN 0.196 nan 8.270 nan 0.000 0.503 101 V N 4.562 124.577 119.914 0.169 0.000 2.508 101 V HA 0.138 4.257 4.120 -0.001 0.000 0.281 101 V C -1.887 174.422 176.094 0.357 0.000 1.041 101 V CA -1.185 61.229 62.300 0.190 0.000 1.016 101 V CB 0.364 32.238 31.823 0.085 0.000 0.984 101 V HN 0.103 nan 8.190 nan 0.000 0.478 102 P HA 0.300 nan 4.420 nan 0.000 0.279 102 P C -0.713 176.716 177.300 0.216 0.000 1.252 102 P CA -0.673 62.518 63.100 0.151 0.000 0.811 102 P CB 1.581 33.307 31.700 0.043 0.000 1.035 103 L N 3.568 124.765 121.223 -0.043 0.000 2.395 103 L HA 0.434 4.774 4.340 -0.001 0.000 0.269 103 L C -2.392 174.520 176.870 0.069 0.000 1.133 103 L CA -2.233 52.666 54.840 0.097 0.000 0.812 103 L CB 0.019 42.040 42.059 -0.064 0.000 1.125 103 L HN 0.235 nan 8.230 nan 0.000 0.452 104 P HA 0.090 nan 4.420 nan 0.000 0.264 104 P C -2.503 174.843 177.300 0.076 0.000 1.193 104 P CA -0.564 62.542 63.100 0.009 0.000 0.763 104 P CB -0.052 31.617 31.700 -0.051 0.000 0.810 105 P HA -0.032 nan 4.420 nan 0.000 0.269 105 P C -0.168 176.915 177.300 -0.362 0.000 1.215 105 P CA -0.258 62.761 63.100 -0.136 0.000 0.780 105 P CB 0.413 32.028 31.700 -0.142 0.000 0.898 106 W N 5.021 125.682 121.300 -1.064 0.000 2.170 106 W HA 0.108 4.767 4.660 -0.001 0.000 0.342 106 W C -1.849 174.256 176.519 -0.689 0.000 1.294 106 W CA -1.954 54.447 57.345 -1.573 0.000 1.246 106 W CB -1.303 27.062 29.460 -1.825 0.000 1.156 106 W HN 0.376 nan 8.180 nan 0.000 0.572 107 P HA -0.161 nan 4.420 nan 0.000 0.217 107 P C 1.526 178.277 177.300 -0.914 0.000 1.148 107 P CA 2.603 65.360 63.100 -0.571 0.000 0.828 107 P CB -0.318 31.199 31.700 -0.305 0.000 0.783 108 G N -0.519 107.216 108.800 -1.774 0.000 3.026 108 G HA2 0.265 4.225 3.960 -0.001 0.000 0.208 108 G HA3 0.265 4.225 3.960 -0.001 0.000 0.208 108 G C 0.598 174.744 174.900 -1.256 0.000 1.169 108 G CA 0.172 44.283 45.100 -1.647 0.000 0.788 108 G HN 0.495 nan 8.290 nan 0.000 0.533 109 A N 1.737 123.889 122.820 -1.114 0.000 2.362 109 A HA 0.606 4.926 4.320 -0.001 0.000 0.276 109 A C -1.801 175.613 177.584 -0.284 0.000 1.153 109 A CA -1.342 50.454 52.037 -0.403 0.000 0.813 109 A CB 0.497 19.376 19.000 -0.201 0.000 1.081 109 A HN 0.181 nan 8.150 nan 0.000 0.507 110 P HA 0.069 nan 4.420 nan 0.000 0.265 110 P C -0.462 176.772 177.300 -0.111 0.000 1.187 110 P CA 0.200 63.226 63.100 -0.124 0.000 0.766 110 P CB 0.461 32.118 31.700 -0.071 0.000 0.820 111 V N 2.858 122.709 119.914 -0.105 0.000 2.407 111 V HA 0.721 4.841 4.120 -0.001 0.000 0.278 111 V C 0.955 177.012 176.094 -0.062 0.000 1.037 111 V CA 0.939 63.185 62.300 -0.089 0.000 0.900 111 V CB 0.408 32.174 31.823 -0.095 0.000 0.983 111 V HN 1.143 nan 8.190 nan 0.000 0.459 112 G N 3.447 112.217 108.800 -0.050 0.000 2.346 112 G HA2 0.410 4.369 3.960 -0.001 0.000 0.294 112 G HA3 0.410 4.369 3.960 -0.001 0.000 0.294 112 G C -0.175 174.709 174.900 -0.026 0.000 1.294 112 G CA -0.263 44.816 45.100 -0.035 0.000 0.962 112 G HN 1.025 nan 8.290 nan 0.000 0.508 113 G N -1.381 107.410 108.800 -0.016 0.000 2.509 113 G HA2 0.506 4.466 3.960 -0.001 0.000 0.269 113 G HA3 0.506 4.466 3.960 -0.001 0.000 0.269 113 G C 0.914 175.812 174.900 -0.003 0.000 1.416 113 G CA 0.871 45.968 45.100 -0.006 0.000 1.052 113 G HN 1.002 nan 8.290 nan 0.000 0.542 114 E N -0.040 120.163 120.200 0.005 0.000 2.208 114 E HA -0.263 4.087 4.350 -0.001 0.000 0.202 114 E C 2.282 178.885 176.600 0.005 0.000 1.014 114 E CA 1.859 58.264 56.400 0.009 0.000 0.819 114 E CB 0.004 29.712 29.700 0.013 0.000 0.735 114 E HN 0.611 nan 8.360 nan 0.000 0.469 115 E N 0.128 120.329 120.200 0.002 0.000 2.153 115 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 115 E C 1.638 178.234 176.600 -0.006 0.000 0.988 115 E CA 1.304 57.704 56.400 -0.001 0.000 0.811 115 E CB -0.260 29.439 29.700 -0.002 0.000 0.746 115 E HN 0.290 nan 8.360 nan 0.000 0.466 116 A N 1.031 123.844 122.820 -0.011 0.000 2.238 116 A HA 0.034 4.354 4.320 -0.001 0.000 0.208 116 A C 0.566 178.140 177.584 -0.016 0.000 1.177 116 A CA -0.342 51.684 52.037 -0.019 0.000 0.804 116 A CB -0.798 18.185 19.000 -0.028 0.000 0.823 116 A HN 0.250 nan 8.150 nan 0.000 0.482 117 N N 0.675 119.371 118.700 -0.006 0.000 2.454 117 N HA 0.221 4.961 4.740 -0.001 0.000 0.260 117 N C -0.327 175.182 175.510 -0.002 0.000 1.218 117 N CA 0.221 53.272 53.050 0.002 0.000 0.904 117 N CB 0.397 38.890 38.487 0.010 0.000 1.065 117 N HN 0.318 nan 8.380 nan 0.000 0.462 118 R N 1.205 121.706 120.500 0.002 0.000 2.514 118 R HA 0.161 4.501 4.340 -0.001 0.000 0.301 118 R C -0.449 175.846 176.300 -0.008 0.000 0.962 118 R CA -0.677 55.419 56.100 -0.007 0.000 0.882 118 R CB 1.691 31.987 30.300 -0.007 0.000 1.143 118 R HN 0.563 nan 8.270 nan 0.000 0.452 119 E N 3.084 123.267 120.200 -0.028 0.000 2.316 119 E HA 0.035 4.384 4.350 -0.001 0.000 0.275 119 E C 0.244 176.825 176.600 -0.032 0.000 1.029 119 E CA -0.067 56.304 56.400 -0.048 0.000 0.871 119 E CB 0.742 30.387 29.700 -0.091 0.000 1.022 119 E HN 0.552 nan 8.360 nan 0.000 0.418 120 I N 3.829 124.387 120.570 -0.019 0.000 2.385 120 I HA -0.017 4.152 4.170 -0.001 0.000 0.244 120 I C 0.560 176.662 176.117 -0.025 0.000 1.089 120 I CA 0.701 62.001 61.300 0.000 0.000 1.410 120 I CB -0.046 37.974 38.000 0.032 0.000 1.117 120 I HN 0.521 nan 8.210 nan 0.000 0.429 121 K N 1.003 121.372 120.400 -0.051 0.000 2.615 121 K HA 0.561 4.880 4.320 -0.001 0.000 0.291 121 K C -1.131 175.385 176.600 -0.140 0.000 1.017 121 K CA -1.064 55.176 56.287 -0.079 0.000 0.882 121 K CB 1.538 34.007 32.500 -0.051 0.000 1.522 121 K HN 0.020 nan 8.250 nan 0.000 0.412 122 R N 0.202 120.593 120.500 -0.182 0.000 2.673 122 R HA 0.715 5.054 4.340 -0.001 0.000 0.281 122 R C -1.529 174.599 176.300 -0.287 0.000 0.991 122 R CA -1.061 54.879 56.100 -0.268 0.000 0.896 122 R CB 2.125 32.268 30.300 -0.263 0.000 1.201 122 R HN 0.286 nan 8.270 nan 0.000 0.457 123 V N 1.606 121.233 119.914 -0.478 0.000 2.604 123 V HA 0.781 4.901 4.120 -0.001 0.000 0.305 123 V C 0.293 176.154 176.094 -0.389 0.000 1.043 123 V CA 0.303 62.318 62.300 -0.475 0.000 0.888 123 V CB 1.473 32.848 31.823 -0.746 0.000 0.995 123 V HN 1.151 nan 8.190 nan 0.000 0.429 124 G N 3.196 111.873 108.800 -0.205 0.000 2.722 124 G HA2 0.253 4.213 3.960 -0.001 0.000 0.686 124 G HA3 0.253 4.213 3.960 -0.001 0.000 0.686 124 G C 0.001 174.836 174.900 -0.107 0.000 1.282 124 G CA -0.416 44.612 45.100 -0.120 0.000 0.817 124 G HN 1.397 nan 8.290 nan 0.000 0.605 125 G N 1.105 109.846 108.800 -0.097 0.000 2.412 125 G HA2 0.752 4.711 3.960 -0.001 0.000 0.318 125 G HA3 0.752 4.711 3.960 -0.001 0.000 0.318 125 G C -2.003 172.797 174.900 -0.167 0.000 1.146 125 G CA -1.025 43.997 45.100 -0.130 0.000 0.882 125 G HN 0.647 nan 8.290 nan 0.000 0.501 126 P HA 0.131 nan 4.420 nan 0.000 0.264 126 P C -1.884 175.303 177.300 -0.188 0.000 1.183 126 P CA -0.501 62.401 63.100 -0.330 0.000 0.763 126 P CB 0.233 31.591 31.700 -0.571 0.000 0.807 127 P HA 0.052 nan 4.420 nan 0.000 0.269 127 P C -0.506 176.451 177.300 -0.572 0.000 1.209 127 P CA 0.212 63.064 63.100 -0.414 0.000 0.776 127 P CB 0.945 32.329 31.700 -0.527 0.000 0.876 128 E N 1.572 121.419 120.200 -0.589 0.000 2.133 128 E HA 0.350 4.699 4.350 -0.001 0.000 0.274 128 E C -1.127 175.136 176.600 -0.561 0.000 0.930 128 E CA -0.598 55.551 56.400 -0.420 0.000 0.770 128 E CB 0.483 30.046 29.700 -0.229 0.000 1.104 128 E HN 0.272 nan 8.360 nan 0.000 0.403 129 F N 1.092 120.912 119.950 -0.216 0.000 2.480 129 F HA 0.121 4.647 4.527 -0.001 0.000 0.329 129 F C 1.412 177.014 175.800 -0.330 0.000 1.091 129 F CA -0.693 57.049 58.000 -0.429 0.000 0.972 129 F CB 1.967 40.499 39.000 -0.780 0.000 1.150 129 F HN 0.381 nan 8.300 nan 0.000 0.467 130 S N 1.802 117.505 115.700 0.004 0.000 2.720 130 S HA 0.226 4.695 4.470 -0.001 0.000 0.222 130 S C -0.300 174.441 174.600 0.234 0.000 0.958 130 S CA -0.058 58.228 58.200 0.144 0.000 0.943 130 S CB -1.270 62.078 63.200 0.246 0.000 0.779 130 S HN 0.490 nan 8.310 nan 0.000 0.526 131 F N -2.677 117.346 119.950 0.122 0.000 2.817 131 F HA 0.732 5.258 4.527 -0.001 0.000 0.317 131 F C -3.587 172.226 175.800 0.023 0.000 1.168 131 F CA -2.706 55.323 58.000 0.048 0.000 0.911 131 F CB 0.029 39.040 39.000 0.018 0.000 1.337 131 F HN -0.302 nan 8.300 nan 0.000 0.464 132 P HA 0.294 nan 4.420 nan 0.000 0.280 132 P C -2.607 174.689 177.300 -0.006 0.000 1.300 132 P CA -1.007 62.099 63.100 0.011 0.000 0.785 132 P CB 0.418 32.142 31.700 0.041 0.000 0.874 133 P HA 0.047 nan 4.420 nan 0.000 0.268 133 P C -0.317 176.878 177.300 -0.174 0.000 1.204 133 P CA 0.217 63.044 63.100 -0.455 0.000 0.768 133 P CB 0.954 32.085 31.700 -0.949 0.000 0.842 134 L N 2.351 123.514 121.223 -0.099 0.000 2.456 134 L HA 0.258 4.597 4.340 -0.001 0.000 0.257 134 L C 1.278 178.089 176.870 -0.097 0.000 1.162 134 L CA -0.706 54.085 54.840 -0.082 0.000 0.808 134 L CB 0.142 42.161 42.059 -0.067 0.000 1.136 134 L HN 0.452 nan 8.230 nan 0.000 0.466 135 D N -1.000 119.342 120.400 -0.095 0.000 2.423 135 D HA -0.011 4.628 4.640 -0.001 0.000 0.255 135 D C 1.012 177.253 176.300 -0.099 0.000 1.174 135 D CA -0.259 53.687 54.000 -0.091 0.000 1.008 135 D CB 0.315 41.047 40.800 -0.114 0.000 1.101 135 D HN 0.650 nan 8.370 nan 0.000 0.516 136 H N -0.813 118.184 119.070 -0.123 0.000 2.495 136 H HA -0.015 4.541 4.556 -0.001 0.000 0.287 136 H C 1.464 176.663 175.328 -0.214 0.000 1.033 136 H CA 0.670 56.639 56.048 -0.132 0.000 1.307 136 H CB -0.538 29.141 29.762 -0.138 0.000 1.401 136 H HN 0.187 nan 8.280 nan 0.000 0.555 137 V N 1.612 121.052 119.914 -0.791 0.000 2.453 137 V HA -0.138 3.982 4.120 -0.001 0.000 0.247 137 V C 3.103 178.982 176.094 -0.359 0.000 1.048 137 V CA 1.399 63.298 62.300 -0.669 0.000 1.049 137 V CB -0.897 30.627 31.823 -0.497 0.000 0.672 137 V HN 0.636 nan 8.190 nan 0.000 0.457 138 A N -0.216 122.462 122.820 -0.236 0.000 1.930 138 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 138 A C 2.170 179.663 177.584 -0.152 0.000 1.175 138 A CA 1.533 53.482 52.037 -0.146 0.000 0.627 138 A CB -0.472 18.461 19.000 -0.112 0.000 0.815 138 A HN 0.494 nan 8.150 nan 0.000 0.443 139 L N -1.159 119.979 121.223 -0.140 0.000 2.141 139 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 139 L C 2.776 179.544 176.870 -0.171 0.000 1.094 139 L CA 1.140 55.910 54.840 -0.118 0.000 0.763 139 L CB -0.340 41.737 42.059 0.030 0.000 0.908 139 L HN 0.411 nan 8.230 nan 0.000 0.437 140 M N -1.322 118.176 119.600 -0.171 0.000 2.236 140 M HA -0.115 4.364 4.480 -0.001 0.000 0.266 140 M C 2.173 178.375 176.300 -0.163 0.000 1.070 140 M CA 1.183 56.377 55.300 -0.176 0.000 1.137 140 M CB -0.186 32.063 32.600 -0.585 0.000 1.378 140 M HN 0.135 nan 8.290 nan 0.000 0.426 141 E N 0.727 120.855 120.200 -0.119 0.000 2.072 141 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 141 E C 1.850 178.419 176.600 -0.051 0.000 0.985 141 E CA 1.234 57.669 56.400 0.059 0.000 0.801 141 E CB -0.292 29.450 29.700 0.070 0.000 0.750 141 E HN 0.467 nan 8.360 nan 0.000 0.452 142 K N 0.655 120.967 120.400 -0.148 0.000 2.057 142 K HA -0.057 4.262 4.320 -0.001 0.000 0.206 142 K C 1.519 177.943 176.600 -0.293 0.000 1.050 142 K CA 1.129 57.302 56.287 -0.189 0.000 0.935 142 K CB 0.097 32.478 32.500 -0.199 0.000 0.715 142 K HN -0.030 nan 8.250 nan 0.000 0.439 143 N N -0.078 118.309 118.700 -0.521 0.000 2.336 143 N HA 0.015 4.754 4.740 -0.001 0.000 0.189 143 N C 0.228 175.357 175.510 -0.635 0.000 1.113 143 N CA 0.918 53.469 53.050 -0.831 0.000 0.858 143 N CB 0.920 38.272 38.487 -1.892 0.000 0.970 143 N HN 0.466 nan 8.380 nan 0.000 0.471 144 G N 0.733 109.364 108.800 -0.282 0.000 2.246 144 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.273 144 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.273 144 G C 0.205 175.201 174.900 0.160 0.000 1.055 144 G CA -0.132 44.953 45.100 -0.024 0.000 0.851 144 G HN 0.397 nan 8.290 nan 0.000 0.500 145 W N -0.751 120.633 121.300 0.139 0.000 3.278 145 W HA 0.459 5.119 4.660 -0.001 0.000 0.308 145 W C 0.776 177.456 176.519 0.268 0.000 1.253 145 W CA -0.203 57.227 57.345 0.142 0.000 1.759 145 W CB -0.503 28.995 29.460 0.063 0.000 1.093 145 W HN 0.644 nan 8.180 nan 0.000 0.648 146 W N 0.167 121.623 121.300 0.260 0.000 3.038 146 W HA 0.560 5.219 4.660 -0.000 0.000 0.347 146 W C -1.190 175.412 176.519 0.138 0.000 1.219 146 W CA -2.560 54.907 57.345 0.203 0.000 1.142 146 W CB 0.320 29.902 29.460 0.203 0.000 1.484 146 W HN -0.218 nan 8.180 nan 0.000 0.586 147 E N 1.933 122.209 120.200 0.128 0.000 2.346 147 E HA 0.456 4.805 4.350 -0.001 0.000 0.239 147 E C -2.046 174.344 176.600 -0.350 0.000 0.943 147 E CA -2.740 53.608 56.400 -0.086 0.000 0.751 147 E CB 1.483 31.193 29.700 0.017 0.000 1.241 147 E HN 0.030 nan 8.360 nan 0.000 0.423 148 P HA -0.122 nan 4.420 nan 0.000 0.221 148 P C 0.625 177.764 177.300 -0.269 0.000 1.145 148 P CA 0.924 63.689 63.100 -0.558 0.000 0.795 148 P CB 0.256 31.686 31.700 -0.449 0.000 0.775 149 R N -1.155 119.246 120.500 -0.165 0.000 2.237 149 R HA -0.050 4.289 4.340 -0.001 0.000 0.219 149 R C 2.025 178.284 176.300 -0.069 0.000 1.080 149 R CA 0.442 56.487 56.100 -0.091 0.000 0.995 149 R CB -0.918 29.349 30.300 -0.055 0.000 0.875 149 R HN 0.191 nan 8.270 nan 0.000 0.462 150 I N 0.823 121.343 120.570 -0.083 0.000 2.335 150 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 150 I C 1.449 177.555 176.117 -0.018 0.000 1.129 150 I CA 1.490 62.766 61.300 -0.040 0.000 1.402 150 I CB -0.033 37.945 38.000 -0.037 0.000 1.069 150 I HN 0.014 nan 8.210 nan 0.000 0.424 151 S N 0.419 116.097 115.700 -0.038 0.000 2.419 151 S HA -0.193 4.277 4.470 -0.001 0.000 0.235 151 S C 1.755 176.362 174.600 0.012 0.000 1.019 151 S CA 1.129 59.330 58.200 0.001 0.000 0.982 151 S CB -0.359 62.831 63.200 -0.016 0.000 0.789 151 S HN 0.568 nan 8.310 nan 0.000 0.490 152 Q N 0.601 120.398 119.800 -0.005 0.000 2.269 152 Q HA 0.151 4.491 4.340 -0.001 0.000 0.201 152 Q C 2.330 178.335 176.000 0.007 0.000 0.946 152 Q CA 0.657 56.461 55.803 0.001 0.000 0.877 152 Q CB -0.771 27.962 28.738 -0.008 0.000 0.963 152 Q HN 0.494 nan 8.270 nan 0.000 0.472 153 V N 0.680 120.599 119.914 0.008 0.000 2.346 153 V HA -0.084 4.035 4.120 -0.001 0.000 0.244 153 V C 1.689 177.799 176.094 0.026 0.000 1.037 153 V CA 1.838 64.145 62.300 0.012 0.000 1.029 153 V CB -0.147 31.682 31.823 0.009 0.000 0.663 153 V HN 0.242 nan 8.190 nan 0.000 0.454 154 S N -1.477 114.251 115.700 0.046 0.000 2.540 154 S HA 0.534 5.003 4.470 -0.001 0.000 0.222 154 S C 0.718 175.390 174.600 0.119 0.000 1.008 154 S CA 0.545 58.794 58.200 0.081 0.000 0.939 154 S CB 0.972 64.234 63.200 0.103 0.000 0.865 154 S HN 0.952 nan 8.310 nan 0.000 0.499 155 G N 2.049 110.911 108.800 0.103 0.000 2.610 155 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.304 155 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.304 155 G C -0.295 174.706 174.900 0.169 0.000 1.309 155 G CA -0.574 44.607 45.100 0.134 0.000 0.906 155 G HN 0.786 nan 8.290 nan 0.000 0.521 156 S N -0.522 115.307 115.700 0.214 0.000 2.617 156 S HA 0.695 5.164 4.470 -0.001 0.000 0.269 156 S C 0.863 175.596 174.600 0.222 0.000 1.292 156 S CA 0.626 58.970 58.200 0.240 0.000 1.010 156 S CB 1.370 64.799 63.200 0.382 0.000 0.944 156 S HN 1.641 nan 8.310 nan 0.000 0.536 157 R N -0.567 120.005 120.500 0.120 0.000 3.527 157 R HA -0.105 4.234 4.340 -0.001 0.000 0.288 157 R C -0.772 175.571 176.300 0.070 0.000 1.146 157 R CA 0.635 56.722 56.100 -0.021 0.000 0.778 157 R CB -2.526 27.564 30.300 -0.350 0.000 1.289 157 R HN 0.693 nan 8.270 nan 0.000 0.454 158 S N -0.277 115.528 115.700 0.175 0.000 2.607 158 S HA 0.821 5.290 4.470 -0.001 0.000 0.303 158 S C -0.755 174.023 174.600 0.296 0.000 1.086 158 S CA -0.725 57.610 58.200 0.225 0.000 0.995 158 S CB 1.672 64.970 63.200 0.163 0.000 1.084 158 S HN 0.349 nan 8.310 nan 0.000 0.507 159 Y N -1.521 118.858 120.300 0.132 0.000 2.571 159 Y HA 0.844 5.394 4.550 -0.001 0.000 0.341 159 Y C -1.182 174.815 175.900 0.161 0.000 1.076 159 Y CA -1.560 56.648 58.100 0.181 0.000 1.029 159 Y CB 0.860 39.469 38.460 0.248 0.000 1.308 159 Y HN 0.751 nan 8.280 nan 0.000 0.461 160 A N 3.182 126.088 122.820 0.143 0.000 2.402 160 A HA 0.713 5.032 4.320 -0.001 0.000 0.291 160 A C -2.325 175.400 177.584 0.235 0.000 1.051 160 A CA -0.532 51.525 52.037 0.033 0.000 0.716 160 A CB 1.125 20.139 19.000 0.023 0.000 1.223 160 A HN 0.632 nan 8.150 nan 0.000 0.425 161 L N 1.537 122.899 121.223 0.232 0.000 2.334 161 L HA 0.676 5.016 4.340 -0.001 0.000 0.272 161 L C 0.122 177.128 176.870 0.226 0.000 1.020 161 L CA -0.000 55.028 54.840 0.315 0.000 0.812 161 L CB 1.689 43.940 42.059 0.320 0.000 1.264 161 L HN 0.748 nan 8.230 nan 0.000 0.439 162 K N 0.666 121.219 120.400 0.256 0.000 2.426 162 K HA 0.714 5.034 4.320 -0.001 0.000 0.251 162 K C 0.027 176.761 176.600 0.222 0.000 0.941 162 K CA -0.331 56.087 56.287 0.219 0.000 0.808 162 K CB 2.013 34.657 32.500 0.240 0.000 1.265 162 K HN 0.731 nan 8.250 nan 0.000 0.432 163 G N 2.264 111.165 108.800 0.169 0.000 2.574 163 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.286 163 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.286 163 G C 0.407 175.353 174.900 0.076 0.000 1.212 163 G CA 0.632 45.828 45.100 0.160 0.000 0.979 163 G HN 0.710 nan 8.290 nan 0.000 0.557 164 D N -0.255 120.166 120.400 0.035 0.000 2.182 164 D HA -0.013 4.627 4.640 -0.001 0.000 0.201 164 D C 2.517 178.656 176.300 -0.268 0.000 0.986 164 D CA 1.324 55.253 54.000 -0.118 0.000 0.847 164 D CB -0.155 40.563 40.800 -0.137 0.000 0.942 164 D HN 0.280 nan 8.370 nan 0.000 0.467 165 L N 0.328 121.269 121.223 -0.469 0.000 2.141 165 L HA 0.018 4.357 4.340 -0.001 0.000 0.209 165 L C 2.034 178.882 176.870 -0.036 0.000 1.094 165 L CA 1.116 55.753 54.840 -0.339 0.000 0.763 165 L CB -0.605 41.235 42.059 -0.366 0.000 0.908 165 L HN -0.045 nan 8.230 nan 0.000 0.437 166 A N -0.895 121.943 122.820 0.029 0.000 1.841 166 A HA -0.166 4.154 4.320 -0.001 0.000 0.214 166 A C 2.085 179.702 177.584 0.055 0.000 1.195 166 A CA 1.684 53.767 52.037 0.077 0.000 0.611 166 A CB -0.894 18.156 19.000 0.084 0.000 0.835 166 A HN 0.325 nan 8.150 nan 0.000 0.443 167 L N -1.523 119.725 121.223 0.040 0.000 2.081 167 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 167 L C 2.386 179.309 176.870 0.089 0.000 1.080 167 L CA 1.698 56.565 54.840 0.045 0.000 0.754 167 L CB -1.314 40.762 42.059 0.029 0.000 0.893 167 L HN 0.586 nan 8.230 nan 0.000 0.433 168 Y N 0.475 120.722 120.300 -0.087 0.000 2.242 168 Y HA -0.227 4.322 4.550 -0.001 0.000 0.291 168 Y C 2.625 178.485 175.900 -0.067 0.000 1.137 168 Y CA 1.660 59.701 58.100 -0.098 0.000 1.181 168 Y CB -0.280 38.079 38.460 -0.169 0.000 0.989 168 Y HN 0.404 nan 8.280 nan 0.000 0.527 169 E N -0.255 119.961 120.200 0.027 0.000 2.077 169 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 169 E C 2.192 178.759 176.600 -0.055 0.000 0.989 169 E CA 1.481 57.861 56.400 -0.033 0.000 0.800 169 E CB -0.264 29.474 29.700 0.062 0.000 0.746 169 E HN 0.494 nan 8.360 nan 0.000 0.452 170 L N 0.153 121.356 121.223 -0.032 0.000 2.093 170 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 170 L C 2.662 179.517 176.870 -0.025 0.000 1.085 170 L CA 0.881 55.685 54.840 -0.061 0.000 0.755 170 L CB -0.511 41.526 42.059 -0.037 0.000 0.904 170 L HN 0.209 nan 8.230 nan 0.000 0.435 171 A N 0.309 123.147 122.820 0.031 0.000 1.898 171 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 171 A C 2.272 179.838 177.584 -0.031 0.000 1.181 171 A CA 1.278 53.368 52.037 0.089 0.000 0.620 171 A CB -0.577 18.531 19.000 0.181 0.000 0.819 171 A HN 0.329 nan 8.150 nan 0.000 0.442 172 L N -0.623 120.527 121.223 -0.122 0.000 2.027 172 L HA -0.169 4.171 4.340 -0.001 0.000 0.206 172 L C 2.578 179.430 176.870 -0.030 0.000 1.074 172 L CA 1.068 55.824 54.840 -0.140 0.000 0.745 172 L CB -0.525 41.368 42.059 -0.277 0.000 0.898 172 L HN 0.377 nan 8.230 nan 0.000 0.433 173 L N -0.596 120.593 121.223 -0.057 0.000 2.042 173 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 173 L C 2.818 179.644 176.870 -0.073 0.000 1.076 173 L CA 1.095 55.900 54.840 -0.059 0.000 0.749 173 L CB -0.473 41.508 42.059 -0.130 0.000 0.893 173 L HN 0.244 nan 8.230 nan 0.000 0.432 174 R N 0.351 120.823 120.500 -0.045 0.000 2.075 174 R HA -0.204 4.135 4.340 -0.001 0.000 0.232 174 R C 2.220 178.533 176.300 0.022 0.000 1.126 174 R CA 1.541 57.655 56.100 0.023 0.000 0.963 174 R CB -0.881 29.506 30.300 0.146 0.000 0.858 174 R HN 0.285 nan 8.270 nan 0.000 0.435 175 F N 0.612 120.339 119.950 -0.371 0.000 2.126 175 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 175 F C 1.839 177.527 175.800 -0.187 0.000 1.096 175 F CA 1.750 59.387 58.000 -0.606 0.000 1.255 175 F CB -0.650 37.777 39.000 -0.955 0.000 0.997 175 F HN 0.106 nan 8.300 nan 0.000 0.479 176 A N 0.847 123.474 122.820 -0.322 0.000 1.897 176 A HA -0.114 4.205 4.320 -0.001 0.000 0.215 176 A C 2.235 179.734 177.584 -0.143 0.000 1.181 176 A CA 1.620 53.463 52.037 -0.324 0.000 0.620 176 A CB -0.692 18.235 19.000 -0.122 0.000 0.821 176 A HN 0.430 nan 8.150 nan 0.000 0.443 177 M N 0.205 119.767 119.600 -0.064 0.000 2.080 177 M HA -0.167 4.312 4.480 -0.001 0.000 0.260 177 M C 1.427 177.721 176.300 -0.009 0.000 1.068 177 M CA 1.676 56.970 55.300 -0.010 0.000 1.109 177 M CB -1.465 31.138 32.600 0.006 0.000 1.342 177 M HN 0.349 nan 8.290 nan 0.000 0.405 178 D N -0.443 119.956 120.400 -0.002 0.000 2.144 178 D HA -0.121 4.519 4.640 -0.001 0.000 0.200 178 D C 1.767 178.048 176.300 -0.033 0.000 0.978 178 D CA 0.827 54.845 54.000 0.030 0.000 0.833 178 D CB -0.462 40.429 40.800 0.153 0.000 0.961 178 D HN 0.296 nan 8.370 nan 0.000 0.470 179 F N 1.048 120.825 119.950 -0.289 0.000 2.102 179 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 179 F C 2.135 177.816 175.800 -0.198 0.000 1.105 179 F CA 1.207 59.019 58.000 -0.314 0.000 1.239 179 F CB -0.078 38.560 39.000 -0.602 0.000 0.991 179 F HN -0.197 nan 8.300 nan 0.000 0.474 180 M N 0.638 120.180 119.600 -0.097 0.000 2.117 180 M HA -0.134 4.346 4.480 -0.001 0.000 0.262 180 M C 2.535 178.792 176.300 -0.072 0.000 1.065 180 M CA 1.701 56.913 55.300 -0.148 0.000 1.114 180 M CB -2.108 30.439 32.600 -0.088 0.000 1.361 180 M HN 0.321 nan 8.290 nan 0.000 0.408 181 A N -0.554 122.249 122.820 -0.028 0.000 2.019 181 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 181 A C 2.273 179.833 177.584 -0.040 0.000 1.164 181 A CA 1.452 53.496 52.037 0.013 0.000 0.644 181 A CB -0.484 18.528 19.000 0.020 0.000 0.805 181 A HN 0.359 nan 8.150 nan 0.000 0.449 182 R N -0.766 119.652 120.500 -0.135 0.000 2.236 182 R HA 0.125 4.464 4.340 -0.001 0.000 0.208 182 R C 1.217 177.392 176.300 -0.207 0.000 1.036 182 R CA 0.530 56.531 56.100 -0.166 0.000 1.001 182 R CB 0.018 30.192 30.300 -0.211 0.000 0.896 182 R HN 0.208 nan 8.270 nan 0.000 0.464 183 R N -0.415 119.938 120.500 -0.246 0.000 2.426 183 R HA 0.254 4.594 4.340 -0.001 0.000 0.263 183 R C 0.417 176.778 176.300 0.102 0.000 0.961 183 R CA 0.526 56.538 56.100 -0.147 0.000 1.086 183 R CB 0.171 30.297 30.300 -0.290 0.000 1.186 183 R HN 0.356 nan 8.270 nan 0.000 0.537 184 G N 0.710 109.554 108.800 0.073 0.000 2.143 184 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.249 184 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.249 184 G C -0.152 174.812 174.900 0.106 0.000 0.981 184 G CA -0.182 44.952 45.100 0.058 0.000 0.665 184 G HN 0.229 nan 8.290 nan 0.000 0.528 185 F N -0.092 119.841 119.950 -0.030 0.000 2.397 185 F HA 0.610 5.137 4.527 -0.001 0.000 0.331 185 F C 0.797 176.634 175.800 0.062 0.000 1.090 185 F CA -1.366 56.649 58.000 0.025 0.000 1.065 185 F CB 1.331 40.354 39.000 0.039 0.000 1.184 185 F HN -0.025 nan 8.300 nan 0.000 0.499 186 L N 5.612 127.001 121.223 0.277 0.000 2.315 186 L HA 0.318 4.658 4.340 -0.001 0.000 0.283 186 L C -2.404 174.593 176.870 0.211 0.000 1.089 186 L CA -1.551 53.426 54.840 0.229 0.000 0.833 186 L CB 1.000 43.233 42.059 0.289 0.000 1.170 186 L HN 0.303 nan 8.230 nan 0.000 0.442 187 P HA 0.214 nan 4.420 nan 0.000 0.271 187 P C -0.713 176.623 177.300 0.060 0.000 1.220 187 P CA 0.323 63.482 63.100 0.098 0.000 0.768 187 P CB 0.702 32.444 31.700 0.071 0.000 0.848 188 M N 1.758 121.386 119.600 0.048 0.000 2.501 188 M HA 0.384 4.864 4.480 -0.001 0.000 0.293 188 M C -0.385 175.944 176.300 0.049 0.000 1.192 188 M CA -0.528 54.771 55.300 -0.003 0.000 0.886 188 M CB 2.806 35.344 32.600 -0.104 0.000 1.710 188 M HN 0.203 nan 8.290 nan 0.000 0.457 189 T N 0.990 115.577 114.554 0.054 0.000 2.797 189 T HA 0.839 5.189 4.350 -0.001 0.000 0.279 189 T C -0.656 174.062 174.700 0.030 0.000 0.991 189 T CA -0.758 61.420 62.100 0.130 0.000 0.979 189 T CB 1.134 70.105 68.868 0.173 0.000 0.943 189 T HN 0.549 nan 8.240 nan 0.000 0.444 190 L N 2.651 123.862 121.223 -0.020 0.000 2.301 190 L HA 0.635 4.974 4.340 -0.001 0.000 0.264 190 L C -2.220 174.587 176.870 -0.105 0.000 1.016 190 L CA -2.788 51.992 54.840 -0.100 0.000 0.821 190 L CB 1.923 43.887 42.059 -0.158 0.000 1.346 190 L HN 0.468 nan 8.230 nan 0.000 0.429 191 P HA 0.161 nan 4.420 nan 0.000 0.271 191 P C -0.391 176.808 177.300 -0.169 0.000 1.244 191 P CA -0.290 62.695 63.100 -0.192 0.000 0.793 191 P CB 0.553 31.973 31.700 -0.466 0.000 0.984 192 S N -1.321 114.353 115.700 -0.043 0.000 2.663 192 S HA 0.223 4.693 4.470 -0.001 0.000 0.243 192 S C -0.463 174.223 174.600 0.144 0.000 1.009 192 S CA -0.280 57.966 58.200 0.077 0.000 0.988 192 S CB -0.626 62.751 63.200 0.296 0.000 0.896 192 S HN 0.514 nan 8.310 nan 0.000 0.502 193 Y N -0.677 119.650 120.300 0.045 0.000 2.576 193 Y HA 0.940 5.490 4.550 -0.001 0.000 0.346 193 Y C -0.543 175.412 175.900 0.093 0.000 1.018 193 Y CA -1.804 56.349 58.100 0.089 0.000 1.050 193 Y CB 0.771 39.248 38.460 0.029 0.000 1.280 193 Y HN -0.009 nan 8.280 nan 0.000 0.474 194 A N 2.034 124.992 122.820 0.231 0.000 2.599 194 A HA 0.743 5.062 4.320 -0.001 0.000 0.290 194 A C -1.292 176.498 177.584 0.343 0.000 1.101 194 A CA -1.425 50.673 52.037 0.102 0.000 0.674 194 A CB 1.502 20.417 19.000 -0.141 0.000 1.277 194 A HN 0.804 nan 8.150 nan 0.000 0.419 195 R N 0.070 120.703 120.500 0.222 0.000 2.543 195 R HA 0.278 4.618 4.340 -0.001 0.000 0.268 195 R C 1.029 177.535 176.300 0.343 0.000 1.067 195 R CA -0.195 56.091 56.100 0.309 0.000 1.142 195 R CB 0.713 31.124 30.300 0.184 0.000 1.110 195 R HN 0.991 nan 8.270 nan 0.000 0.549 196 E N 1.738 122.154 120.200 0.360 0.000 2.136 196 E HA -0.321 4.029 4.350 -0.001 0.000 0.202 196 E C 1.404 178.088 176.600 0.140 0.000 1.019 196 E CA 1.815 58.341 56.400 0.210 0.000 0.819 196 E CB 0.133 29.999 29.700 0.278 0.000 0.739 196 E HN 0.379 nan 8.360 nan 0.000 0.458 197 K N -0.498 119.974 120.400 0.119 0.000 2.160 197 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 197 K C 1.938 178.530 176.600 -0.013 0.000 1.047 197 K CA 1.156 57.477 56.287 0.057 0.000 0.930 197 K CB -0.134 32.397 32.500 0.053 0.000 0.720 197 K HN 0.210 nan 8.250 nan 0.000 0.450 198 A N -0.182 122.593 122.820 -0.076 0.000 2.014 198 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 198 A C 1.725 179.093 177.584 -0.360 0.000 1.163 198 A CA 0.871 52.770 52.037 -0.230 0.000 0.652 198 A CB -0.410 18.387 19.000 -0.338 0.000 0.808 198 A HN 0.240 nan 8.150 nan 0.000 0.449 199 F N -0.124 119.620 119.950 -0.343 0.000 2.187 199 F HA 0.020 4.547 4.527 -0.001 0.000 0.295 199 F C 2.022 177.678 175.800 -0.240 0.000 1.091 199 F CA 0.982 58.677 58.000 -0.509 0.000 1.308 199 F CB -0.426 37.619 39.000 -1.591 0.000 1.030 199 F HN 0.069 nan 8.300 nan 0.000 0.487 200 L N -0.267 120.974 121.223 0.030 0.000 2.079 200 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 200 L C 2.708 179.584 176.870 0.009 0.000 1.081 200 L CA 1.454 56.348 54.840 0.090 0.000 0.752 200 L CB -1.337 40.774 42.059 0.087 0.000 0.896 200 L HN 0.271 nan 8.230 nan 0.000 0.433 201 G N -0.724 108.064 108.800 -0.020 0.000 2.448 201 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 201 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 201 G C 1.610 176.518 174.900 0.012 0.000 1.127 201 G CA 1.243 46.326 45.100 -0.028 0.000 0.766 201 G HN 0.473 nan 8.290 nan 0.000 0.552 202 T N -3.107 111.486 114.554 0.066 0.000 3.051 202 T HA 0.389 4.739 4.350 -0.001 0.000 0.255 202 T C 1.909 176.753 174.700 0.240 0.000 1.085 202 T CA 1.052 63.244 62.100 0.153 0.000 1.109 202 T CB 0.320 69.308 68.868 0.200 0.000 0.921 202 T HN 1.233 nan 8.240 nan 0.000 0.488 203 G N 0.704 109.637 108.800 0.222 0.000 2.201 203 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.212 203 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.212 203 G C 0.541 175.667 174.900 0.377 0.000 0.994 203 G CA 0.336 45.675 45.100 0.399 0.000 0.644 203 G HN 0.609 nan 8.290 nan 0.000 0.508 204 H N -0.793 118.544 119.070 0.444 0.000 2.421 204 H HA 0.236 4.792 4.556 -0.001 0.000 0.298 204 H C 0.675 176.395 175.328 0.655 0.000 1.087 204 H CA 1.623 58.030 56.048 0.599 0.000 1.330 204 H CB 0.043 30.078 29.762 0.454 0.000 1.388 204 H HN 0.338 nan 8.280 nan 0.000 0.526 205 F N 0.188 120.334 119.950 0.327 0.000 2.480 205 F HA 0.241 4.767 4.527 -0.001 0.000 0.329 205 F C -1.464 174.397 175.800 0.102 0.000 1.091 205 F CA -3.700 54.394 58.000 0.157 0.000 0.972 205 F CB 1.710 40.759 39.000 0.082 0.000 1.150 205 F HN -0.090 nan 8.300 nan 0.000 0.467 206 P HA 0.017 nan 4.420 nan 0.000 0.226 206 P C 1.100 178.425 177.300 0.043 0.000 1.161 206 P CA 1.001 64.158 63.100 0.095 0.000 0.804 206 P CB 0.343 32.061 31.700 0.029 0.000 0.829 207 A N -0.026 122.793 122.820 -0.001 0.000 1.948 207 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 207 A C 1.199 178.654 177.584 -0.215 0.000 1.177 207 A CA 1.452 53.368 52.037 -0.202 0.000 0.636 207 A CB -1.698 17.040 19.000 -0.438 0.000 0.815 207 A HN 0.218 nan 8.150 nan 0.000 0.449 208 Y N -1.447 118.983 120.300 0.216 0.000 2.756 208 Y HA 0.318 4.868 4.550 -0.001 0.000 0.300 208 Y C 1.637 177.669 175.900 0.219 0.000 1.113 208 Y CA -0.312 57.921 58.100 0.220 0.000 1.291 208 Y CB -0.038 38.601 38.460 0.298 0.000 1.175 208 Y HN 0.316 nan 8.280 nan 0.000 0.534 209 R N 1.897 122.503 120.500 0.177 0.000 2.105 209 R HA -0.165 4.175 4.340 -0.001 0.000 0.239 209 R C 1.571 177.896 176.300 0.041 0.000 1.135 209 R CA 2.349 58.411 56.100 -0.064 0.000 0.967 209 R CB -0.611 29.424 30.300 -0.442 0.000 0.861 209 R HN 0.460 nan 8.270 nan 0.000 0.442 210 D N -0.440 120.006 120.400 0.077 0.000 2.309 210 D HA -0.161 4.478 4.640 -0.001 0.000 0.212 210 D C 0.809 177.186 176.300 0.128 0.000 0.968 210 D CA 0.764 54.821 54.000 0.095 0.000 0.882 210 D CB -0.238 40.615 40.800 0.088 0.000 0.918 210 D HN 0.269 nan 8.370 nan 0.000 0.503 211 Q N 0.099 120.000 119.800 0.168 0.000 2.415 211 Q HA 0.165 4.505 4.340 -0.001 0.000 0.206 211 Q C -0.236 175.822 176.000 0.097 0.000 0.946 211 Q CA 0.021 55.904 55.803 0.133 0.000 0.951 211 Q CB 0.929 29.774 28.738 0.179 0.000 1.026 211 Q HN 0.215 nan 8.270 nan 0.000 0.510 212 V N 0.833 120.834 119.914 0.145 0.000 2.487 212 V HA 0.255 4.375 4.120 -0.001 0.000 0.298 212 V C -0.641 175.611 176.094 0.262 0.000 1.028 212 V CA -0.981 61.421 62.300 0.171 0.000 0.860 212 V CB 1.888 33.827 31.823 0.193 0.000 0.991 212 V HN 0.207 nan 8.190 nan 0.000 0.427 213 W N 3.118 124.487 121.300 0.116 0.000 2.272 213 W HA 0.672 5.331 4.660 -0.001 0.000 0.318 213 W C 0.395 176.931 176.519 0.029 0.000 1.255 213 W CA -0.893 56.481 57.345 0.048 0.000 1.200 213 W CB 1.230 30.693 29.460 0.006 0.000 1.170 213 W HN 0.630 nan 8.180 nan 0.000 0.549 214 A N 4.800 127.706 122.820 0.142 0.000 2.312 214 A HA 0.707 5.027 4.320 -0.001 0.000 0.328 214 A C -0.609 176.848 177.584 -0.212 0.000 1.158 214 A CA -0.747 51.199 52.037 -0.152 0.000 0.821 214 A CB 0.586 19.430 19.000 -0.260 0.000 1.170 214 A HN 0.531 nan 8.150 nan 0.000 0.490 215 I N 2.405 122.812 120.570 -0.271 0.000 2.312 215 I HA 0.323 4.493 4.170 -0.001 0.000 0.291 215 I C 1.030 177.013 176.117 -0.223 0.000 1.031 215 I CA -0.045 61.116 61.300 -0.232 0.000 1.293 215 I CB 1.158 39.029 38.000 -0.214 0.000 1.403 215 I HN 0.754 nan 8.210 nan 0.000 0.484 216 A N 4.912 127.616 122.820 -0.194 0.000 2.520 216 A HA 0.122 4.442 4.320 -0.001 0.000 0.235 216 A C 0.848 178.351 177.584 -0.135 0.000 1.065 216 A CA 0.066 52.009 52.037 -0.157 0.000 0.764 216 A CB -0.020 18.897 19.000 -0.138 0.000 1.002 216 A HN 0.816 nan 8.150 nan 0.000 0.502 217 E N -1.146 118.988 120.200 -0.110 0.000 2.553 217 E HA -0.133 4.217 4.350 -0.001 0.000 0.264 217 E C -0.028 176.521 176.600 -0.087 0.000 1.068 217 E CA 1.675 58.023 56.400 -0.086 0.000 0.774 217 E CB -1.722 27.929 29.700 -0.081 0.000 1.349 217 E HN 0.909 nan 8.360 nan 0.000 0.404 218 T N -1.118 113.377 114.554 -0.098 0.000 2.749 218 T HA 0.350 4.700 4.350 -0.001 0.000 0.310 218 T C -1.192 173.455 174.700 -0.088 0.000 1.496 218 T CA -0.331 61.715 62.100 -0.090 0.000 1.006 218 T CB 0.882 69.675 68.868 -0.124 0.000 1.457 218 T HN 0.078 nan 8.240 nan 0.000 0.497 219 D N 1.193 121.573 120.400 -0.034 0.000 2.525 219 D HA 0.314 4.954 4.640 -0.001 0.000 0.229 219 D C 0.093 176.435 176.300 0.069 0.000 1.202 219 D CA -0.097 53.916 54.000 0.022 0.000 0.828 219 D CB -0.259 40.592 40.800 0.084 0.000 1.008 219 D HN 0.258 nan 8.370 nan 0.000 0.493 220 L N -0.197 120.992 121.223 -0.057 0.000 2.319 220 L HA 0.597 4.937 4.340 -0.001 0.000 0.267 220 L C -1.021 175.745 176.870 -0.174 0.000 1.011 220 L CA -1.213 53.675 54.840 0.080 0.000 0.818 220 L CB 1.436 43.573 42.059 0.130 0.000 1.316 220 L HN -0.125 nan 8.230 nan 0.000 0.432 221 Y N 0.329 120.746 120.300 0.196 0.000 2.562 221 Y HA 0.526 5.076 4.550 -0.001 0.000 0.345 221 Y C -0.477 175.566 175.900 0.237 0.000 1.045 221 Y CA -0.774 57.393 58.100 0.111 0.000 1.028 221 Y CB 1.679 40.017 38.460 -0.203 0.000 1.297 221 Y HN 0.255 nan 8.280 nan 0.000 0.463 222 L N 2.141 123.556 121.223 0.320 0.000 2.350 222 L HA 0.515 4.854 4.340 -0.001 0.000 0.275 222 L C 0.308 177.425 176.870 0.411 0.000 1.099 222 L CA -0.733 54.270 54.840 0.273 0.000 0.808 222 L CB 1.239 43.344 42.059 0.077 0.000 1.149 222 L HN 0.766 nan 8.230 nan 0.000 0.442 223 T N -1.364 113.398 114.554 0.347 0.000 2.845 223 T HA 0.293 4.643 4.350 -0.001 0.000 0.288 223 T C 1.041 175.817 174.700 0.127 0.000 0.980 223 T CA -0.354 61.893 62.100 0.245 0.000 1.071 223 T CB 1.660 70.518 68.868 -0.017 0.000 0.941 223 T HN 0.719 nan 8.240 nan 0.000 0.487 224 G N 0.797 109.624 108.800 0.045 0.000 2.712 224 G HA2 0.344 4.303 3.960 -0.001 0.000 0.212 224 G HA3 0.344 4.303 3.960 -0.001 0.000 0.212 224 G C 0.452 175.295 174.900 -0.095 0.000 1.142 224 G CA 0.475 45.563 45.100 -0.020 0.000 0.789 224 G HN 1.038 nan 8.290 nan 0.000 0.535 225 T N -2.725 111.747 114.554 -0.135 0.000 2.886 225 T HA 0.481 4.830 4.350 -0.001 0.000 0.330 225 T C 0.944 175.561 174.700 -0.139 0.000 1.488 225 T CA 0.462 62.495 62.100 -0.112 0.000 1.054 225 T CB 1.082 69.946 68.868 -0.006 0.000 1.348 225 T HN 0.231 nan 8.240 nan 0.000 0.489 226 A N 1.721 124.463 122.820 -0.130 0.000 2.070 226 A HA 0.032 4.351 4.320 -0.001 0.000 0.220 226 A C 1.913 179.419 177.584 -0.130 0.000 1.159 226 A CA 2.060 54.009 52.037 -0.146 0.000 0.656 226 A CB -0.814 18.110 19.000 -0.127 0.000 0.800 226 A HN 0.949 nan 8.150 nan 0.000 0.453 227 E N 0.181 120.355 120.200 -0.043 0.000 2.147 227 E HA -0.204 4.146 4.350 -0.001 0.000 0.199 227 E C 1.739 178.285 176.600 -0.091 0.000 1.005 227 E CA 1.813 58.217 56.400 0.007 0.000 0.810 227 E CB -0.192 29.608 29.700 0.166 0.000 0.736 227 E HN 0.381 nan 8.360 nan 0.000 0.460 228 V N 0.335 120.151 119.914 -0.162 0.000 2.407 228 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 228 V C 2.376 178.263 176.094 -0.345 0.000 1.055 228 V CA 1.392 63.503 62.300 -0.315 0.000 1.049 228 V CB -0.125 31.306 31.823 -0.653 0.000 0.662 228 V HN 0.203 nan 8.190 nan 0.000 0.455 229 V N -0.903 118.821 119.914 -0.318 0.000 2.346 229 V HA -0.124 3.996 4.120 -0.001 0.000 0.244 229 V C 2.291 178.199 176.094 -0.311 0.000 1.037 229 V CA 1.270 63.388 62.300 -0.303 0.000 1.029 229 V CB -0.339 31.316 31.823 -0.281 0.000 0.663 229 V HN 0.376 nan 8.190 nan 0.000 0.454 230 L N 0.639 121.649 121.223 -0.356 0.000 2.131 230 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 230 L C 2.184 178.687 176.870 -0.612 0.000 1.092 230 L CA 1.773 56.322 54.840 -0.485 0.000 0.759 230 L CB -1.328 40.424 42.059 -0.513 0.000 0.903 230 L HN 0.413 nan 8.230 nan 0.000 0.435 231 N N -0.720 117.671 118.700 -0.515 0.000 2.354 231 N HA -0.084 4.656 4.740 -0.001 0.000 0.179 231 N C 1.446 176.910 175.510 -0.077 0.000 1.021 231 N CA 0.904 53.830 53.050 -0.207 0.000 0.887 231 N CB 0.382 38.884 38.487 0.025 0.000 0.974 231 N HN 0.332 nan 8.380 nan 0.000 0.437 232 A N 0.584 123.315 122.820 -0.148 0.000 2.251 232 A HA 0.181 4.501 4.320 -0.001 0.000 0.209 232 A C 2.071 179.585 177.584 -0.115 0.000 1.187 232 A CA -0.204 51.769 52.037 -0.106 0.000 0.823 232 A CB -0.091 18.820 19.000 -0.147 0.000 0.846 232 A HN 0.217 nan 8.150 nan 0.000 0.486 233 L N -0.985 120.126 121.223 -0.187 0.000 2.027 233 L HA -0.120 4.220 4.340 -0.001 0.000 0.206 233 L C 1.670 178.385 176.870 -0.259 0.000 1.074 233 L CA 1.002 55.665 54.840 -0.294 0.000 0.745 233 L CB -0.547 41.211 42.059 -0.501 0.000 0.898 233 L HN 0.479 nan 8.230 nan 0.000 0.433 234 H N -0.528 118.578 119.070 0.059 0.000 2.538 234 H HA 0.192 4.747 4.556 -0.001 0.000 0.286 234 H C 0.571 175.940 175.328 0.069 0.000 1.035 234 H CA -0.185 55.910 56.048 0.077 0.000 1.169 234 H CB 0.042 29.875 29.762 0.118 0.000 1.417 234 H HN 0.145 nan 8.280 nan 0.000 0.567 235 S N 0.122 115.896 115.700 0.125 0.000 2.575 235 S HA 0.199 4.668 4.470 -0.001 0.000 0.295 235 S C 1.463 176.118 174.600 0.092 0.000 1.267 235 S CA 0.793 59.053 58.200 0.100 0.000 1.074 235 S CB 0.470 63.702 63.200 0.053 0.000 0.829 235 S HN 0.789 nan 8.310 nan 0.000 0.497 236 G N 2.834 111.691 108.800 0.095 0.000 2.199 236 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.254 236 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.254 236 G C -0.172 174.768 174.900 0.067 0.000 0.982 236 G CA 0.032 45.175 45.100 0.071 0.000 0.632 236 G HN 0.638 nan 8.290 nan 0.000 0.529 237 E N -0.393 119.863 120.200 0.093 0.000 2.318 237 E HA 0.654 5.004 4.350 -0.001 0.000 0.265 237 E C 0.048 176.680 176.600 0.054 0.000 1.069 237 E CA -0.608 55.839 56.400 0.078 0.000 0.893 237 E CB 1.313 31.079 29.700 0.111 0.000 1.076 237 E HN 0.304 nan 8.360 nan 0.000 0.414 238 I N 2.947 123.533 120.570 0.028 0.000 2.382 238 I HA 0.189 4.358 4.170 -0.001 0.000 0.285 238 I C -0.643 175.488 176.117 0.023 0.000 1.007 238 I CA -0.495 60.812 61.300 0.013 0.000 1.142 238 I CB 0.720 38.709 38.000 -0.018 0.000 1.289 238 I HN 0.250 nan 8.210 nan 0.000 0.453 239 L N 8.555 129.803 121.223 0.041 0.000 2.380 239 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 239 L C -1.937 174.973 176.870 0.067 0.000 1.138 239 L CA -1.635 53.212 54.840 0.012 0.000 0.832 239 L CB 0.270 42.304 42.059 -0.041 0.000 1.124 239 L HN 0.310 nan 8.230 nan 0.000 0.454 240 P HA -0.103 nan 4.420 nan 0.000 0.271 240 P C 0.128 177.488 177.300 0.100 0.000 1.216 240 P CA -0.103 63.039 63.100 0.070 0.000 0.776 240 P CB 0.594 32.312 31.700 0.031 0.000 0.881 241 Y N 4.158 124.496 120.300 0.063 0.000 2.139 241 Y HA -0.303 4.247 4.550 -0.001 0.000 0.282 241 Y C 2.024 177.909 175.900 -0.026 0.000 1.179 241 Y CA 2.600 60.738 58.100 0.065 0.000 1.161 241 Y CB -0.634 37.873 38.460 0.077 0.000 0.970 241 Y HN 0.430 nan 8.280 nan 0.000 0.511 242 E N -0.086 120.068 120.200 -0.077 0.000 2.409 242 E HA -0.049 4.300 4.350 -0.001 0.000 0.198 242 E C 1.884 178.372 176.600 -0.186 0.000 1.024 242 E CA 0.949 57.260 56.400 -0.148 0.000 0.861 242 E CB -0.588 29.103 29.700 -0.016 0.000 0.788 242 E HN 0.423 nan 8.360 nan 0.000 0.521 243 A N 0.501 123.216 122.820 -0.175 0.000 2.167 243 A HA 0.107 4.427 4.320 -0.001 0.000 0.214 243 A C 0.565 177.995 177.584 -0.256 0.000 1.151 243 A CA 0.184 52.115 52.037 -0.176 0.000 0.735 243 A CB -0.150 18.760 19.000 -0.150 0.000 0.802 243 A HN 0.166 nan 8.150 nan 0.000 0.467 244 L N 1.130 122.141 121.223 -0.354 0.000 2.395 244 L HA 0.356 4.696 4.340 -0.001 0.000 0.269 244 L C -1.855 174.791 176.870 -0.374 0.000 1.133 244 L CA -1.993 52.600 54.840 -0.412 0.000 0.812 244 L CB 0.254 41.974 42.059 -0.566 0.000 1.125 244 L HN 0.134 nan 8.230 nan 0.000 0.452 245 P HA 0.189 nan 4.420 nan 0.000 0.280 245 P C -0.870 176.217 177.300 -0.355 0.000 1.244 245 P CA -0.479 62.421 63.100 -0.334 0.000 0.784 245 P CB 0.644 32.170 31.700 -0.290 0.000 0.913 246 L N 4.039 125.035 121.223 -0.379 0.000 2.456 246 L HA 0.201 4.540 4.340 -0.001 0.000 0.277 246 L C 1.152 177.684 176.870 -0.563 0.000 1.124 246 L CA 0.064 54.612 54.840 -0.486 0.000 0.880 246 L CB -0.143 41.581 42.059 -0.559 0.000 1.192 246 L HN 0.229 nan 8.230 nan 0.000 0.463 247 R N 3.759 123.911 120.500 -0.580 0.000 2.233 247 R HA 0.368 4.707 4.340 -0.001 0.000 0.334 247 R C -1.360 174.835 176.300 -0.175 0.000 1.037 247 R CA -0.607 55.088 56.100 -0.676 0.000 0.920 247 R CB 0.739 30.227 30.300 -1.353 0.000 1.137 247 R HN 0.303 nan 8.270 nan 0.000 0.492 248 Y N 0.802 121.235 120.300 0.223 0.000 2.331 248 Y HA 0.419 4.968 4.550 -0.001 0.000 0.338 248 Y C 0.338 176.483 175.900 0.407 0.000 0.992 248 Y CA -1.753 56.523 58.100 0.292 0.000 1.121 248 Y CB 1.972 40.578 38.460 0.244 0.000 1.184 248 Y HN 0.547 nan 8.280 nan 0.000 0.469 249 A N 2.887 125.985 122.820 0.463 0.000 2.412 249 A HA 0.682 5.001 4.320 -0.001 0.000 0.334 249 A C 0.401 178.092 177.584 0.178 0.000 1.419 249 A CA -0.252 51.943 52.037 0.263 0.000 0.930 249 A CB -0.423 18.680 19.000 0.171 0.000 1.149 249 A HN 0.839 nan 8.150 nan 0.000 0.515 250 G N 0.682 109.564 108.800 0.136 0.000 2.379 250 G HA2 0.496 4.455 3.960 -0.001 0.000 0.327 250 G HA3 0.496 4.455 3.960 -0.001 0.000 0.327 250 G C -0.936 174.003 174.900 0.065 0.000 1.145 250 G CA -0.418 44.720 45.100 0.063 0.000 0.905 250 G HN 0.701 nan 8.290 nan 0.000 0.466 251 Y N 1.808 122.106 120.300 -0.004 0.000 2.341 251 Y HA 0.693 5.242 4.550 -0.001 0.000 0.337 251 Y C -0.173 175.724 175.900 -0.004 0.000 1.014 251 Y CA -0.940 57.162 58.100 0.004 0.000 1.111 251 Y CB 1.587 40.056 38.460 0.016 0.000 1.194 251 Y HN 0.802 nan 8.280 nan 0.000 0.462 252 A N 6.595 128.788 122.820 -1.045 0.000 2.589 252 A HA 0.647 4.966 4.320 -0.001 0.000 0.296 252 A C -3.125 174.030 177.584 -0.715 0.000 1.062 252 A CA -1.947 49.584 52.037 -0.844 0.000 0.686 252 A CB 1.069 19.843 19.000 -0.377 0.000 1.282 252 A HN 0.566 nan 8.150 nan 0.000 0.404 253 P HA 0.279 nan 4.420 nan 0.000 0.264 253 P C -0.371 176.630 177.300 -0.498 0.000 1.179 253 P CA 0.674 63.502 63.100 -0.453 0.000 0.763 253 P CB 0.569 32.128 31.700 -0.235 0.000 0.806 254 A N 3.006 125.334 122.820 -0.820 0.000 2.371 254 A HA 0.741 5.060 4.320 -0.001 0.000 0.311 254 A C -1.317 175.838 177.584 -0.715 0.000 1.068 254 A CA -0.412 51.181 52.037 -0.739 0.000 0.744 254 A CB 0.660 18.879 19.000 -1.303 0.000 1.239 254 A HN 0.331 nan 8.150 nan 0.000 0.435 255 F N 0.890 120.724 119.950 -0.193 0.000 2.507 255 F HA 0.698 5.225 4.527 -0.001 0.000 0.325 255 F C 0.504 176.230 175.800 -0.124 0.000 1.116 255 F CA -0.257 57.709 58.000 -0.056 0.000 0.930 255 F CB 2.441 41.534 39.000 0.154 0.000 1.146 255 F HN 0.561 nan 8.300 nan 0.000 0.447 256 R N 0.387 120.834 120.500 -0.087 0.000 2.532 256 R HA 0.294 4.634 4.340 -0.001 0.000 0.297 256 R C 0.857 176.831 176.300 -0.544 0.000 0.984 256 R CA -0.292 55.699 56.100 -0.181 0.000 0.884 256 R CB 1.936 32.268 30.300 0.054 0.000 1.182 256 R HN 0.757 nan 8.270 nan 0.000 0.442 257 S N 2.024 117.297 115.700 -0.712 0.000 2.383 257 S HA -0.167 4.303 4.470 -0.001 0.000 0.229 257 S C 0.469 175.010 174.600 -0.099 0.000 1.030 257 S CA 1.037 58.782 58.200 -0.758 0.000 1.002 257 S CB -0.054 62.952 63.200 -0.323 0.000 0.829 257 S HN 0.715 nan 8.310 nan 0.000 0.467 258 E N 0.015 120.220 120.200 0.008 0.000 2.637 258 E HA -0.188 4.162 4.350 -0.001 0.000 0.265 258 E C 0.066 176.768 176.600 0.170 0.000 1.073 258 E CA 0.858 57.325 56.400 0.111 0.000 0.778 258 E CB -2.087 27.701 29.700 0.148 0.000 1.362 258 E HN 0.816 nan 8.360 nan 0.000 0.413 259 A N 0.481 123.385 122.820 0.141 0.000 3.126 259 A HA 0.554 4.873 4.320 -0.001 0.000 0.268 259 A C 0.805 178.467 177.584 0.131 0.000 1.605 259 A CA 0.544 52.676 52.037 0.158 0.000 1.305 259 A CB 0.199 19.284 19.000 0.141 0.000 1.160 259 A HN 0.259 nan 8.150 nan 0.000 0.609 260 G N -0.450 108.429 108.800 0.131 0.000 2.513 260 G HA2 0.438 4.398 3.960 -0.001 0.000 0.282 260 G HA3 0.438 4.398 3.960 -0.001 0.000 0.282 260 G C -0.110 174.852 174.900 0.104 0.000 1.397 260 G CA -0.167 44.997 45.100 0.107 0.000 1.291 260 G HN 0.671 nan 8.290 nan 0.000 0.596 261 S N 0.874 116.637 115.700 0.106 0.000 3.315 261 S HA -0.236 4.233 4.470 -0.001 0.000 0.294 261 S C 0.376 175.043 174.600 0.111 0.000 0.856 261 S CA 0.400 58.662 58.200 0.103 0.000 1.370 261 S CB -1.023 62.212 63.200 0.057 0.000 1.080 261 S HN 0.954 nan 8.310 nan 0.000 0.483 262 F N 1.689 121.668 119.950 0.048 0.000 2.572 262 F HA 0.421 4.948 4.527 -0.000 0.000 0.370 262 F C 1.447 177.269 175.800 0.036 0.000 1.103 262 F CA 1.410 59.439 58.000 0.048 0.000 1.286 262 F CB 0.313 39.355 39.000 0.069 0.000 1.105 262 F HN 0.573 nan 8.300 nan 0.000 0.583 263 G N 3.921 112.466 108.800 -0.426 0.000 2.238 263 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 263 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 263 G C 0.343 175.148 174.900 -0.159 0.000 0.996 263 G CA -0.194 44.785 45.100 -0.202 0.000 0.632 263 G HN 0.638 nan 8.290 nan 0.000 0.503 264 K N 1.624 121.941 120.400 -0.138 0.000 2.382 264 K HA 0.169 4.489 4.320 -0.001 0.000 0.275 264 K C -0.059 176.459 176.600 -0.137 0.000 1.009 264 K CA -0.217 56.011 56.287 -0.098 0.000 0.970 264 K CB 0.254 32.714 32.500 -0.066 0.000 0.934 264 K HN 0.240 nan 8.250 nan 0.000 0.479 265 D N 2.421 122.764 120.400 -0.096 0.000 6.435 265 D HA -0.138 4.502 4.640 -0.001 0.000 0.244 265 D C -0.754 175.481 176.300 -0.107 0.000 1.568 265 D CA 0.859 54.806 54.000 -0.088 0.000 1.065 265 D CB -0.296 40.466 40.800 -0.064 0.000 1.497 265 D HN 0.023 nan 8.370 nan 0.000 0.866 266 V N 3.173 123.005 119.914 -0.136 0.000 2.488 266 V HA 0.462 4.582 4.120 -0.001 0.000 0.293 266 V C 0.136 176.171 176.094 -0.097 0.000 1.027 266 V CA -0.681 61.531 62.300 -0.146 0.000 0.862 266 V CB 2.212 33.868 31.823 -0.279 0.000 1.008 266 V HN 0.417 nan 8.190 nan 0.000 0.428 267 R N 3.303 123.792 120.500 -0.018 0.000 2.907 267 R HA 0.570 4.910 4.340 -0.001 0.000 0.246 267 R C 0.009 176.369 176.300 0.100 0.000 1.082 267 R CA 0.466 56.605 56.100 0.065 0.000 1.003 267 R CB 1.757 32.093 30.300 0.059 0.000 1.261 267 R HN 1.382 nan 8.270 nan 0.000 0.474 268 G N 2.027 110.963 108.800 0.228 0.000 2.508 268 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 268 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 268 G C -0.159 174.865 174.900 0.207 0.000 1.287 268 G CA -0.176 45.048 45.100 0.207 0.000 0.916 268 G HN 0.472 nan 8.290 nan 0.000 0.574 269 L N 0.995 122.327 121.223 0.182 0.000 2.685 269 L HA 0.261 4.601 4.340 -0.001 0.000 0.233 269 L C 2.416 179.159 176.870 -0.212 0.000 1.173 269 L CA -0.174 54.603 54.840 -0.105 0.000 0.961 269 L CB -0.219 41.715 42.059 -0.208 0.000 1.217 269 L HN 0.449 nan 8.230 nan 0.000 0.478 270 M N -0.672 118.842 119.600 -0.142 0.000 2.412 270 M HA 0.075 4.555 4.480 -0.001 0.000 0.263 270 M C 1.012 177.183 176.300 -0.215 0.000 1.122 270 M CA 1.013 56.197 55.300 -0.193 0.000 1.179 270 M CB -0.256 32.261 32.600 -0.138 0.000 1.335 270 M HN 0.073 nan 8.290 nan 0.000 0.465 271 R N 1.481 121.876 120.500 -0.175 0.000 2.467 271 R HA 0.495 4.835 4.340 -0.001 0.000 0.299 271 R C -1.301 174.905 176.300 -0.157 0.000 1.120 271 R CA -0.221 55.766 56.100 -0.188 0.000 0.940 271 R CB 1.231 31.433 30.300 -0.164 0.000 1.161 271 R HN 0.086 nan 8.270 nan 0.000 0.506 272 V N -0.145 119.692 119.914 -0.129 0.000 3.019 272 V HA 0.415 4.534 4.120 -0.001 0.000 0.317 272 V C 0.808 176.922 176.094 0.033 0.000 1.094 272 V CA -0.792 61.484 62.300 -0.039 0.000 1.000 272 V CB 1.921 33.819 31.823 0.125 0.000 1.060 272 V HN 0.711 nan 8.190 nan 0.000 0.443 273 H N 0.284 119.443 119.070 0.149 0.000 2.524 273 H HA 0.177 4.732 4.556 -0.001 0.000 0.282 273 H C 0.621 175.994 175.328 0.075 0.000 1.016 273 H CA 1.403 57.486 56.048 0.059 0.000 1.270 273 H CB 0.437 30.293 29.762 0.156 0.000 1.394 273 H HN 0.781 nan 8.280 nan 0.000 0.568 274 Q N -0.231 119.707 119.800 0.230 0.000 2.284 274 Q HA 0.418 4.757 4.340 -0.001 0.000 0.269 274 Q C -1.569 174.503 176.000 0.119 0.000 1.026 274 Q CA -0.706 55.032 55.803 -0.109 0.000 0.831 274 Q CB 1.740 30.344 28.738 -0.224 0.000 1.322 274 Q HN 0.088 nan 8.270 nan 0.000 0.419 275 F N -0.933 118.867 119.950 -0.250 0.000 2.923 275 F HA 0.634 5.160 4.527 -0.001 0.000 0.323 275 F C -1.489 174.113 175.800 -0.330 0.000 1.189 275 F CA -1.057 56.870 58.000 -0.121 0.000 0.930 275 F CB 1.308 40.261 39.000 -0.077 0.000 1.414 275 F HN 0.414 nan 8.300 nan 0.000 0.496 276 H N 0.891 120.067 119.070 0.176 0.000 2.572 276 H HA 0.570 5.126 4.556 -0.001 0.000 0.359 276 H C -1.394 174.004 175.328 0.117 0.000 1.134 276 H CA -0.885 55.203 56.048 0.068 0.000 1.187 276 H CB 2.332 32.246 29.762 0.254 0.000 1.597 276 H HN 0.682 nan 8.280 nan 0.000 0.524 277 K N 2.058 122.501 120.400 0.071 0.000 2.525 277 K HA 0.357 4.676 4.320 -0.001 0.000 0.254 277 K C -1.590 175.056 176.600 0.076 0.000 0.934 277 K CA -0.603 55.746 56.287 0.103 0.000 0.802 277 K CB 2.152 34.701 32.500 0.082 0.000 1.295 277 K HN 0.250 nan 8.250 nan 0.000 0.433 278 V N 3.016 123.007 119.914 0.129 0.000 2.407 278 V HA 0.291 4.410 4.120 -0.001 0.000 0.278 278 V C -0.364 175.766 176.094 0.059 0.000 1.037 278 V CA -0.517 61.857 62.300 0.123 0.000 0.900 278 V CB 1.241 33.135 31.823 0.118 0.000 0.983 278 V HN 0.764 nan 8.190 nan 0.000 0.459 279 E N 3.602 123.838 120.200 0.061 0.000 2.171 279 E HA 0.396 4.746 4.350 -0.001 0.000 0.271 279 E C -0.692 175.975 176.600 0.112 0.000 0.916 279 E CA -0.433 56.013 56.400 0.077 0.000 0.774 279 E CB 1.366 31.114 29.700 0.080 0.000 1.128 279 E HN 0.663 nan 8.360 nan 0.000 0.403 280 Q N 3.106 122.961 119.800 0.091 0.000 2.296 280 Q HA 0.257 4.597 4.340 -0.001 0.000 0.257 280 Q C -1.245 174.935 176.000 0.301 0.000 0.942 280 Q CA -0.505 55.368 55.803 0.116 0.000 0.939 280 Q CB 1.205 29.905 28.738 -0.063 0.000 1.198 280 Q HN 0.555 nan 8.270 nan 0.000 0.429 281 Y N 2.086 122.559 120.300 0.289 0.000 2.391 281 Y HA 0.536 5.086 4.550 -0.001 0.000 0.341 281 Y C -1.445 174.568 175.900 0.189 0.000 0.965 281 Y CA -0.873 57.364 58.100 0.228 0.000 1.067 281 Y CB 1.267 39.865 38.460 0.230 0.000 1.199 281 Y HN 0.367 nan 8.280 nan 0.000 0.450 282 V N 7.321 126.955 119.914 -0.467 0.000 2.638 282 V HA 0.438 4.557 4.120 -0.001 0.000 0.306 282 V C -1.390 174.391 176.094 -0.521 0.000 1.052 282 V CA -0.791 61.285 62.300 -0.373 0.000 0.885 282 V CB 1.749 33.468 31.823 -0.174 0.000 0.999 282 V HN 0.649 nan 8.190 nan 0.000 0.424 283 L N 4.687 125.690 121.223 -0.367 0.000 2.325 283 L HA 0.855 5.195 4.340 -0.001 0.000 0.281 283 L C -0.192 176.537 176.870 -0.236 0.000 1.004 283 L CA 0.769 55.475 54.840 -0.224 0.000 0.823 283 L CB 1.715 43.736 42.059 -0.064 0.000 1.236 283 L HN 0.793 nan 8.230 nan 0.000 0.415 284 T N 2.531 116.963 114.554 -0.203 0.000 2.742 284 T HA 0.499 4.848 4.350 -0.001 0.000 0.282 284 T C -1.079 173.384 174.700 -0.394 0.000 1.025 284 T CA -0.460 61.474 62.100 -0.277 0.000 1.020 284 T CB 1.022 69.784 68.868 -0.177 0.000 1.317 284 T HN 0.754 nan 8.240 nan 0.000 0.538 285 E N 0.792 120.712 120.200 -0.468 0.000 2.349 285 E HA 0.559 4.909 4.350 -0.001 0.000 0.265 285 E C -0.117 176.189 176.600 -0.491 0.000 1.064 285 E CA -0.762 55.265 56.400 -0.622 0.000 0.886 285 E CB 0.905 30.389 29.700 -0.360 0.000 1.036 285 E HN 0.594 nan 8.360 nan 0.000 0.413 286 A N 2.666 125.213 122.820 -0.455 0.000 2.863 286 A HA 0.053 4.373 4.320 -0.001 0.000 0.246 286 A C 0.302 177.414 177.584 -0.787 0.000 1.772 286 A CA 0.216 51.574 52.037 -1.132 0.000 1.456 286 A CB -1.018 17.714 19.000 -0.446 0.000 0.930 286 A HN 0.453 nan 8.150 nan 0.000 0.630 287 S N 0.663 116.057 115.700 -0.510 0.000 2.478 287 S HA 0.445 4.915 4.470 -0.001 0.000 0.312 287 S C 0.945 175.553 174.600 0.013 0.000 1.094 287 S CA -0.753 57.355 58.200 -0.153 0.000 1.081 287 S CB 0.575 63.725 63.200 -0.083 0.000 1.007 287 S HN 0.288 nan 8.310 nan 0.000 0.475 288 L N 4.147 125.422 121.223 0.088 0.000 2.127 288 L HA -0.080 4.259 4.340 -0.001 0.000 0.211 288 L C 2.530 179.432 176.870 0.053 0.000 1.089 288 L CA 2.503 57.384 54.840 0.068 0.000 0.757 288 L CB -1.413 40.661 42.059 0.025 0.000 0.899 288 L HN 0.998 nan 8.230 nan 0.000 0.434 289 E N -0.494 119.730 120.200 0.041 0.000 2.274 289 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 289 E C 2.019 178.634 176.600 0.025 0.000 0.996 289 E CA 1.145 57.566 56.400 0.035 0.000 0.840 289 E CB 0.006 29.723 29.700 0.028 0.000 0.772 289 E HN 0.337 nan 8.360 nan 0.000 0.491 290 A N 0.588 123.416 122.820 0.014 0.000 1.903 290 A HA -0.030 4.289 4.320 -0.001 0.000 0.213 290 A C 2.408 180.009 177.584 0.028 0.000 1.185 290 A CA 1.096 53.129 52.037 -0.007 0.000 0.628 290 A CB -0.817 18.147 19.000 -0.060 0.000 0.830 290 A HN 0.294 nan 8.150 nan 0.000 0.446 291 S N 0.001 115.752 115.700 0.084 0.000 2.365 291 S HA -0.218 4.252 4.470 -0.001 0.000 0.225 291 S C 1.673 176.323 174.600 0.083 0.000 1.039 291 S CA 1.998 60.255 58.200 0.096 0.000 1.033 291 S CB -0.489 62.753 63.200 0.071 0.000 0.887 291 S HN 0.584 nan 8.310 nan 0.000 0.447 292 D N 0.398 120.832 120.400 0.057 0.000 2.144 292 D HA -0.013 4.626 4.640 -0.001 0.000 0.200 292 D C 2.282 178.641 176.300 0.098 0.000 0.978 292 D CA 0.852 54.887 54.000 0.059 0.000 0.833 292 D CB -0.214 40.605 40.800 0.032 0.000 0.961 292 D HN 0.346 nan 8.370 nan 0.000 0.470 293 R N 0.340 120.881 120.500 0.067 0.000 2.075 293 R HA 0.023 4.363 4.340 -0.001 0.000 0.232 293 R C 2.216 178.556 176.300 0.067 0.000 1.126 293 R CA 1.182 57.315 56.100 0.055 0.000 0.963 293 R CB -0.200 30.113 30.300 0.022 0.000 0.858 293 R HN 0.109 nan 8.270 nan 0.000 0.435 294 A N 0.611 123.471 122.820 0.067 0.000 1.873 294 A HA -0.187 4.132 4.320 -0.001 0.000 0.215 294 A C 1.956 179.610 177.584 0.117 0.000 1.186 294 A CA 1.047 53.122 52.037 0.064 0.000 0.616 294 A CB -0.674 18.346 19.000 0.032 0.000 0.823 294 A HN 0.340 nan 8.150 nan 0.000 0.442 295 F N 0.681 120.627 119.950 -0.008 0.000 2.095 295 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 295 F C 2.594 178.384 175.800 -0.017 0.000 1.104 295 F CA 2.389 60.379 58.000 -0.018 0.000 1.232 295 F CB -0.140 38.834 39.000 -0.043 0.000 0.987 295 F HN 0.390 nan 8.300 nan 0.000 0.475 296 Q N 0.416 120.310 119.800 0.157 0.000 2.224 296 Q HA -0.249 4.091 4.340 -0.001 0.000 0.203 296 Q C 2.122 178.121 176.000 -0.002 0.000 0.970 296 Q CA 1.749 57.587 55.803 0.058 0.000 0.865 296 Q CB -0.375 28.416 28.738 0.089 0.000 0.922 296 Q HN 0.685 nan 8.270 nan 0.000 0.445 297 E N -0.226 119.987 120.200 0.022 0.000 2.046 297 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 297 E C 2.043 178.651 176.600 0.014 0.000 0.982 297 E CA 0.553 56.979 56.400 0.044 0.000 0.800 297 E CB 0.109 29.864 29.700 0.093 0.000 0.756 297 E HN 0.271 nan 8.360 nan 0.000 0.449 298 L N 0.784 121.994 121.223 -0.023 0.000 2.042 298 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 298 L C 2.367 179.130 176.870 -0.178 0.000 1.076 298 L CA 1.181 55.967 54.840 -0.090 0.000 0.749 298 L CB -0.704 41.287 42.059 -0.114 0.000 0.893 298 L HN 0.243 nan 8.230 nan 0.000 0.432 299 L N -0.758 120.318 121.223 -0.244 0.000 2.044 299 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 299 L C 2.431 179.198 176.870 -0.170 0.000 1.075 299 L CA 1.512 56.201 54.840 -0.252 0.000 0.747 299 L CB -0.572 41.313 42.059 -0.291 0.000 0.903 299 L HN 0.310 nan 8.230 nan 0.000 0.435 300 E N -0.764 119.378 120.200 -0.096 0.000 2.209 300 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 300 E C 1.839 178.416 176.600 -0.038 0.000 0.993 300 E CA 1.372 57.745 56.400 -0.046 0.000 0.819 300 E CB -0.189 29.512 29.700 0.003 0.000 0.745 300 E HN 0.636 nan 8.360 nan 0.000 0.477 301 N N 0.093 118.769 118.700 -0.041 0.000 2.109 301 N HA -0.090 4.650 4.740 -0.001 0.000 0.188 301 N C 1.916 177.344 175.510 -0.136 0.000 1.034 301 N CA 0.752 53.822 53.050 0.034 0.000 0.846 301 N CB -0.047 38.437 38.487 -0.005 0.000 1.010 301 N HN 0.064 nan 8.380 nan 0.000 0.425 302 A N 1.473 124.141 122.820 -0.252 0.000 1.933 302 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 302 A C 1.912 179.156 177.584 -0.568 0.000 1.175 302 A CA 1.268 53.028 52.037 -0.461 0.000 0.628 302 A CB -0.388 18.274 19.000 -0.564 0.000 0.814 302 A HN 0.289 nan 8.150 nan 0.000 0.444 303 E N -0.790 119.131 120.200 -0.465 0.000 2.077 303 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 303 E C 2.061 178.466 176.600 -0.325 0.000 0.989 303 E CA 1.422 57.519 56.400 -0.505 0.000 0.800 303 E CB -0.096 29.464 29.700 -0.233 0.000 0.746 303 E HN 0.695 nan 8.360 nan 0.000 0.452 304 E N 1.091 121.168 120.200 -0.204 0.000 2.106 304 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 304 E C 1.861 178.273 176.600 -0.312 0.000 0.984 304 E CA 0.788 57.112 56.400 -0.127 0.000 0.806 304 E CB -0.150 29.596 29.700 0.077 0.000 0.750 304 E HN 0.214 nan 8.360 nan 0.000 0.458 305 I N 0.097 120.333 120.570 -0.557 0.000 2.179 305 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 305 I C 2.164 178.157 176.117 -0.206 0.000 1.088 305 I CA 0.951 61.943 61.300 -0.513 0.000 1.357 305 I CB -0.181 37.498 38.000 -0.534 0.000 1.051 305 I HN 0.161 nan 8.210 nan 0.000 0.409 306 L N -0.177 120.889 121.223 -0.262 0.000 2.201 306 L HA -0.182 4.157 4.340 -0.001 0.000 0.212 306 L C 2.600 179.454 176.870 -0.027 0.000 1.105 306 L CA 0.838 55.579 54.840 -0.166 0.000 0.775 306 L CB -0.435 41.399 42.059 -0.375 0.000 0.913 306 L HN 0.141 nan 8.230 nan 0.000 0.440 307 R N -0.351 120.137 120.500 -0.020 0.000 2.090 307 R HA -0.083 4.257 4.340 -0.001 0.000 0.228 307 R C 1.984 178.316 176.300 0.054 0.000 1.110 307 R CA 1.043 57.188 56.100 0.075 0.000 0.973 307 R CB -0.401 29.943 30.300 0.073 0.000 0.869 307 R HN 0.088 nan 8.270 nan 0.000 0.440 308 L N -0.378 120.863 121.223 0.030 0.000 2.156 308 L HA -0.029 4.311 4.340 -0.001 0.000 0.208 308 L C 1.386 178.249 176.870 -0.012 0.000 1.095 308 L CA 1.310 56.183 54.840 0.054 0.000 0.770 308 L CB -0.491 41.668 42.059 0.166 0.000 0.914 308 L HN 0.159 nan 8.230 nan 0.000 0.439 309 L N -0.234 120.985 121.223 -0.007 0.000 2.599 309 L HA 0.035 4.374 4.340 -0.001 0.000 0.230 309 L C 0.731 177.684 176.870 0.139 0.000 1.141 309 L CA 0.382 55.225 54.840 0.004 0.000 0.877 309 L CB -0.870 41.187 42.059 -0.003 0.000 1.009 309 L HN 0.355 nan 8.230 nan 0.000 0.447 310 E N -0.051 120.219 120.200 0.117 0.000 2.252 310 E HA -0.241 4.108 4.350 -0.001 0.000 0.218 310 E C -0.442 176.305 176.600 0.245 0.000 1.253 310 E CA 0.165 56.662 56.400 0.161 0.000 0.705 310 E CB -1.532 28.227 29.700 0.098 0.000 1.172 310 E HN 0.330 nan 8.360 nan 0.000 0.369 311 L N 0.903 122.233 121.223 0.179 0.000 2.346 311 L HA 0.528 4.868 4.340 -0.001 0.000 0.276 311 L C -1.960 175.040 176.870 0.217 0.000 1.006 311 L CA -2.213 52.717 54.840 0.149 0.000 0.817 311 L CB 1.478 43.596 42.059 0.099 0.000 1.272 311 L HN -0.095 nan 8.230 nan 0.000 0.421 312 P HA 0.268 nan 4.420 nan 0.000 0.280 312 P C -1.718 175.758 177.300 0.295 0.000 1.244 312 P CA -0.054 63.128 63.100 0.136 0.000 0.784 312 P CB 0.910 32.644 31.700 0.057 0.000 0.913 313 Y N 0.524 120.948 120.300 0.207 0.000 2.728 313 Y HA 0.795 5.345 4.550 -0.001 0.000 0.330 313 Y C -0.580 175.384 175.900 0.106 0.000 1.234 313 Y CA -1.463 56.784 58.100 0.245 0.000 1.070 313 Y CB 1.421 39.935 38.460 0.091 0.000 1.300 313 Y HN 0.546 nan 8.280 nan 0.000 0.467 314 R N 0.710 121.284 120.500 0.123 0.000 2.739 314 R HA 0.768 5.107 4.340 -0.001 0.000 0.271 314 R C -2.437 173.891 176.300 0.046 0.000 1.010 314 R CA -0.978 55.042 56.100 -0.133 0.000 0.897 314 R CB 1.744 31.713 30.300 -0.551 0.000 1.236 314 R HN 0.609 nan 8.270 nan 0.000 0.466 315 L N 1.446 122.679 121.223 0.016 0.000 2.322 315 L HA 0.555 4.894 4.340 -0.001 0.000 0.279 315 L C -0.757 176.117 176.870 0.006 0.000 1.036 315 L CA -0.690 54.175 54.840 0.041 0.000 0.807 315 L CB 2.147 44.240 42.059 0.058 0.000 1.226 315 L HN 0.487 nan 8.230 nan 0.000 0.433 316 V N 1.978 121.906 119.914 0.022 0.000 2.531 316 V HA 0.350 4.470 4.120 -0.001 0.000 0.301 316 V C -0.373 175.752 176.094 0.052 0.000 1.034 316 V CA -0.859 61.453 62.300 0.020 0.000 0.865 316 V CB 1.890 33.721 31.823 0.013 0.000 0.995 316 V HN 0.700 nan 8.190 nan 0.000 0.424 317 E N 3.873 124.110 120.200 0.062 0.000 2.217 317 E HA 0.341 4.690 4.350 -0.001 0.000 0.279 317 E C -0.637 176.009 176.600 0.077 0.000 1.068 317 E CA -0.006 56.454 56.400 0.100 0.000 0.882 317 E CB 1.172 30.942 29.700 0.117 0.000 1.039 317 E HN 0.439 nan 8.360 nan 0.000 0.418 318 V N 4.119 124.083 119.914 0.083 0.000 2.583 318 V HA 0.444 4.564 4.120 -0.001 0.000 0.287 318 V C 0.676 176.794 176.094 0.040 0.000 1.051 318 V CA -0.156 62.177 62.300 0.054 0.000 1.010 318 V CB 1.084 32.939 31.823 0.054 0.000 0.988 318 V HN 0.905 nan 8.190 nan 0.000 0.478 319 A N 3.377 126.205 122.820 0.013 0.000 2.346 319 A HA 0.402 4.722 4.320 -0.001 0.000 0.252 319 A C 1.584 179.156 177.584 -0.020 0.000 1.089 319 A CA 0.356 52.384 52.037 -0.014 0.000 0.797 319 A CB 0.194 19.181 19.000 -0.020 0.000 1.047 319 A HN 1.102 nan 8.150 nan 0.000 0.494 320 T N -1.438 113.088 114.554 -0.046 0.000 2.803 320 T HA -0.071 4.279 4.350 -0.001 0.000 0.269 320 T C 1.451 176.128 174.700 -0.038 0.000 1.052 320 T CA 1.622 63.690 62.100 -0.054 0.000 1.136 320 T CB -0.484 68.336 68.868 -0.081 0.000 0.864 320 T HN 0.983 nan 8.240 nan 0.000 0.467 321 G N -0.003 108.779 108.800 -0.029 0.000 2.985 321 G HA2 0.158 4.117 3.960 -0.001 0.000 0.209 321 G HA3 0.158 4.117 3.960 -0.001 0.000 0.209 321 G C 0.894 175.795 174.900 0.002 0.000 1.165 321 G CA 0.358 45.448 45.100 -0.017 0.000 0.776 321 G HN 0.526 nan 8.290 nan 0.000 0.541 322 D N 0.005 120.409 120.400 0.006 0.000 2.479 322 D HA 0.045 4.685 4.640 -0.001 0.000 0.216 322 D C 2.518 178.837 176.300 0.032 0.000 1.110 322 D CA 0.001 54.014 54.000 0.023 0.000 0.841 322 D CB 0.091 40.903 40.800 0.020 0.000 1.040 322 D HN 0.334 nan 8.370 nan 0.000 0.505 323 M N -1.458 118.153 119.600 0.019 0.000 2.506 323 M HA 0.353 4.833 4.480 -0.001 0.000 0.260 323 M C 0.936 177.251 176.300 0.024 0.000 1.104 323 M CA 0.701 56.014 55.300 0.021 0.000 1.112 323 M CB 0.214 32.819 32.600 0.009 0.000 1.401 323 M HN -0.083 nan 8.290 nan 0.000 0.473 324 G N 1.281 110.095 108.800 0.024 0.000 2.663 324 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.686 324 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.686 324 G C -2.629 172.204 174.900 -0.112 0.000 1.246 324 G CA -0.540 44.584 45.100 0.039 0.000 0.795 324 G HN 0.112 nan 8.290 nan 0.000 0.627 325 P HA 0.008 nan 4.420 nan 0.000 0.217 325 P C 1.713 178.540 177.300 -0.787 0.000 1.151 325 P CA 2.021 64.925 63.100 -0.326 0.000 0.828 325 P CB -0.029 31.561 31.700 -0.184 0.000 0.788 326 G N -0.953 107.140 108.800 -1.178 0.000 2.985 326 G HA2 0.000 3.960 3.960 -0.001 0.000 0.209 326 G HA3 0.000 3.960 3.960 -0.001 0.000 0.209 326 G C 0.418 174.954 174.900 -0.607 0.000 1.165 326 G CA 0.019 44.091 45.100 -1.713 0.000 0.776 326 G HN 0.202 nan 8.290 nan 0.000 0.541 327 K N -0.265 119.953 120.400 -0.305 0.000 2.143 327 K HA 0.273 4.592 4.320 -0.001 0.000 0.272 327 K C 0.427 177.038 176.600 0.018 0.000 1.001 327 K CA -0.986 55.250 56.287 -0.085 0.000 0.915 327 K CB 1.426 33.909 32.500 -0.028 0.000 1.047 327 K HN 0.198 nan 8.250 nan 0.000 0.458 328 W N 3.759 124.980 121.300 -0.131 0.000 2.480 328 W HA 0.083 4.742 4.660 -0.001 0.000 0.299 328 W C -0.227 176.247 176.519 -0.076 0.000 1.187 328 W CA 0.759 58.041 57.345 -0.106 0.000 1.347 328 W CB 0.604 29.964 29.460 -0.166 0.000 1.121 328 W HN 0.290 nan 8.180 nan 0.000 0.533 329 R N 0.812 121.230 120.500 -0.137 0.000 2.707 329 R HA 0.249 4.589 4.340 -0.001 0.000 0.272 329 R C -1.659 174.604 176.300 -0.061 0.000 1.011 329 R CA -0.457 55.421 56.100 -0.371 0.000 0.893 329 R CB 2.049 31.793 30.300 -0.927 0.000 1.233 329 R HN 0.082 nan 8.270 nan 0.000 0.464 330 Q N 2.148 121.972 119.800 0.040 0.000 2.313 330 Q HA 0.368 4.708 4.340 -0.001 0.000 0.255 330 Q C -1.899 174.207 176.000 0.177 0.000 0.944 330 Q CA -0.502 55.398 55.803 0.161 0.000 0.881 330 Q CB 2.392 31.187 28.738 0.094 0.000 1.375 330 Q HN 0.338 nan 8.270 nan 0.000 0.422 331 V N 3.635 123.676 119.914 0.211 0.000 2.407 331 V HA 0.337 4.457 4.120 -0.001 0.000 0.291 331 V C -0.792 175.333 176.094 0.051 0.000 1.018 331 V CA -0.732 61.647 62.300 0.131 0.000 0.842 331 V CB 1.835 33.743 31.823 0.141 0.000 0.996 331 V HN 0.738 nan 8.190 nan 0.000 0.426 332 D N 4.163 124.592 120.400 0.049 0.000 2.255 332 D HA 0.503 5.143 4.640 -0.001 0.000 0.249 332 D C -0.159 176.162 176.300 0.034 0.000 1.078 332 D CA 0.017 54.041 54.000 0.039 0.000 0.896 332 D CB 1.755 42.581 40.800 0.042 0.000 1.194 332 D HN 0.329 nan 8.370 nan 0.000 0.429 333 I N 1.825 122.418 120.570 0.039 0.000 2.354 333 I HA 0.222 4.391 4.170 -0.001 0.000 0.292 333 I C 0.323 176.504 176.117 0.106 0.000 0.989 333 I CA -0.564 60.758 61.300 0.038 0.000 1.188 333 I CB 1.195 39.135 38.000 -0.100 0.000 1.342 333 I HN 0.081 nan 8.210 nan 0.000 0.457 334 E N 5.275 125.570 120.200 0.158 0.000 2.199 334 E HA 0.552 4.901 4.350 -0.001 0.000 0.269 334 E C -1.211 175.615 176.600 0.376 0.000 0.899 334 E CA -0.764 55.769 56.400 0.222 0.000 0.772 334 E CB 3.211 33.041 29.700 0.216 0.000 1.155 334 E HN 0.248 nan 8.360 nan 0.000 0.408 335 V N 2.707 122.787 119.914 0.276 0.000 2.630 335 V HA 0.134 4.254 4.120 -0.001 0.000 0.305 335 V C -0.689 175.444 176.094 0.066 0.000 1.046 335 V CA -0.857 61.592 62.300 0.248 0.000 0.934 335 V CB 1.099 32.989 31.823 0.113 0.000 1.003 335 V HN 0.616 nan 8.190 nan 0.000 0.451 336 Y N 4.397 124.529 120.300 -0.279 0.000 2.544 336 Y HA 0.363 4.912 4.550 -0.001 0.000 0.330 336 Y C -0.256 175.465 175.900 -0.297 0.000 1.136 336 Y CA -0.452 57.264 58.100 -0.640 0.000 1.417 336 Y CB 0.796 38.807 38.460 -0.748 0.000 1.229 336 Y HN 0.508 nan 8.280 nan 0.000 0.532 337 L N 10.970 131.706 121.223 -0.812 0.000 2.297 337 L HA 0.450 4.789 4.340 -0.001 0.000 0.277 337 L C -2.072 174.351 176.870 -0.745 0.000 1.040 337 L CA -2.472 52.027 54.840 -0.569 0.000 0.867 337 L CB 1.243 43.098 42.059 -0.340 0.000 1.244 337 L HN 0.447 nan 8.230 nan 0.000 0.433 338 P HA -0.195 nan 4.420 nan 0.000 0.217 338 P C 1.389 178.567 177.300 -0.203 0.000 1.151 338 P CA 1.738 64.627 63.100 -0.351 0.000 0.849 338 P CB 0.238 31.953 31.700 0.025 0.000 0.787 339 S N -1.476 114.126 115.700 -0.164 0.000 2.522 339 S HA -0.035 4.435 4.470 -0.001 0.000 0.227 339 S C 1.585 176.124 174.600 -0.101 0.000 0.986 339 S CA 0.692 58.831 58.200 -0.103 0.000 0.929 339 S CB -0.729 62.425 63.200 -0.076 0.000 0.769 339 S HN 0.236 nan 8.310 nan 0.000 0.529 340 E N 0.567 120.678 120.200 -0.148 0.000 2.481 340 E HA 0.263 4.612 4.350 -0.001 0.000 0.198 340 E C 1.017 177.559 176.600 -0.096 0.000 1.027 340 E CA 0.096 56.431 56.400 -0.109 0.000 0.900 340 E CB 0.182 29.815 29.700 -0.111 0.000 0.993 340 E HN 0.647 nan 8.360 nan 0.000 0.482 341 G N 2.990 111.711 108.800 -0.132 0.000 2.258 341 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.274 341 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.274 341 G C 0.158 175.096 174.900 0.063 0.000 1.021 341 G CA 1.253 46.349 45.100 -0.006 0.000 0.798 341 G HN 0.365 nan 8.290 nan 0.000 0.507 342 R N -2.656 117.779 120.500 -0.109 0.000 2.747 342 R HA 0.632 4.972 4.340 -0.001 0.000 0.272 342 R C -1.105 175.125 176.300 -0.117 0.000 1.032 342 R CA -1.303 54.825 56.100 0.047 0.000 0.896 342 R CB 0.839 31.192 30.300 0.088 0.000 1.253 342 R HN 0.057 nan 8.270 nan 0.000 0.461 343 Y N 0.614 120.975 120.300 0.102 0.000 2.316 343 Y HA 0.433 4.982 4.550 -0.001 0.000 0.331 343 Y C 0.413 176.320 175.900 0.013 0.000 1.083 343 Y CA -0.289 57.864 58.100 0.089 0.000 1.206 343 Y CB 1.017 39.550 38.460 0.123 0.000 1.195 343 Y HN 0.147 nan 8.280 nan 0.000 0.497 344 R N 1.779 122.330 120.500 0.084 0.000 2.740 344 R HA 0.193 4.533 4.340 -0.001 0.000 0.282 344 R C -0.570 175.754 176.300 0.039 0.000 0.969 344 R CA -1.131 54.986 56.100 0.028 0.000 0.918 344 R CB 1.831 32.097 30.300 -0.057 0.000 1.175 344 R HN 0.773 nan 8.270 nan 0.000 0.464 345 E N 1.129 121.339 120.200 0.017 0.000 2.558 345 E HA -0.082 4.267 4.350 -0.001 0.000 0.255 345 E C 0.122 176.707 176.600 -0.025 0.000 0.968 345 E CA 0.636 57.043 56.400 0.012 0.000 0.939 345 E CB 0.655 30.347 29.700 -0.013 0.000 0.921 345 E HN 0.665 nan 8.360 nan 0.000 0.477 346 T N 0.823 115.389 114.554 0.019 0.000 2.964 346 T HA 0.120 4.470 4.350 -0.001 0.000 0.249 346 T C -0.024 174.575 174.700 -0.168 0.000 1.000 346 T CA -0.145 61.916 62.100 -0.065 0.000 0.992 346 T CB 0.149 69.038 68.868 0.034 0.000 1.087 346 T HN 0.475 nan 8.240 nan 0.000 0.489 347 H N 0.308 119.339 119.070 -0.066 0.000 2.865 347 H HA 0.762 5.317 4.556 -0.001 0.000 0.362 347 H C -1.380 173.917 175.328 -0.051 0.000 1.114 347 H CA -0.643 55.364 56.048 -0.067 0.000 1.208 347 H CB 2.179 31.880 29.762 -0.101 0.000 1.727 347 H HN 0.101 nan 8.280 nan 0.000 0.534 348 S N 2.014 117.754 115.700 0.066 0.000 2.774 348 S HA 0.303 4.773 4.470 -0.001 0.000 0.297 348 S C -0.842 173.775 174.600 0.028 0.000 1.143 348 S CA -0.437 57.787 58.200 0.041 0.000 1.090 348 S CB 0.292 63.511 63.200 0.033 0.000 1.019 348 S HN 0.753 nan 8.310 nan 0.000 0.482 349 C N 4.742 124.035 119.300 -0.012 0.000 2.325 349 C HA 0.777 5.237 4.460 -0.001 0.000 0.347 349 C C 0.378 175.424 174.990 0.094 0.000 1.263 349 C CA 0.014 58.983 59.018 -0.081 0.000 1.806 349 C CB -0.849 26.673 27.740 -0.364 0.000 2.405 349 C HN 0.868 nan 8.230 nan 0.000 0.537 350 S N 2.929 118.725 115.700 0.160 0.000 2.568 350 S HA 0.885 5.355 4.470 -0.001 0.000 0.293 350 S C -0.701 174.080 174.600 0.301 0.000 1.089 350 S CA -0.513 57.833 58.200 0.244 0.000 0.945 350 S CB 1.798 65.082 63.200 0.141 0.000 1.077 350 S HN 1.042 nan 8.310 nan 0.000 0.485 351 A N 1.663 124.630 122.820 0.244 0.000 2.359 351 A HA 0.738 5.057 4.320 -0.001 0.000 0.303 351 A C -0.607 177.039 177.584 0.104 0.000 1.066 351 A CA -0.481 51.657 52.037 0.169 0.000 0.730 351 A CB 0.377 19.436 19.000 0.098 0.000 1.211 351 A HN 0.693 nan 8.150 nan 0.000 0.439 352 L N 3.110 124.361 121.223 0.047 0.000 3.069 352 L HA 0.309 4.649 4.340 -0.001 0.000 0.271 352 L C 0.984 177.829 176.870 -0.043 0.000 1.201 352 L CA 0.203 55.075 54.840 0.053 0.000 1.015 352 L CB -0.597 41.550 42.059 0.146 0.000 1.371 352 L HN 0.936 nan 8.230 nan 0.000 0.574 353 L N 0.316 121.353 121.223 -0.310 0.000 5.176 353 L HA -0.408 3.931 4.340 -0.001 0.000 0.053 353 L C 0.906 177.507 176.870 -0.447 0.000 2.911 353 L CA 1.964 56.263 54.840 -0.901 0.000 1.597 353 L CB -0.875 40.584 42.059 -1.000 0.000 2.854 353 L HN 0.569 nan 8.230 nan 0.000 0.903 354 D N -2.124 118.160 120.400 -0.192 0.000 2.538 354 D HA 0.019 4.659 4.640 -0.001 0.000 0.231 354 D C 1.134 177.497 176.300 0.105 0.000 1.229 354 D CA -0.141 53.934 54.000 0.126 0.000 0.828 354 D CB -0.402 40.569 40.800 0.285 0.000 1.035 354 D HN 0.611 nan 8.370 nan 0.000 0.495 355 W N 1.365 122.637 121.300 -0.047 0.000 2.402 355 W HA -0.022 4.638 4.660 -0.001 0.000 0.286 355 W C 1.841 178.355 176.519 -0.008 0.000 1.221 355 W CA 1.327 58.659 57.345 -0.023 0.000 1.257 355 W CB 0.333 29.799 29.460 0.009 0.000 1.120 355 W HN -0.017 nan 8.180 nan 0.000 0.551 356 Q N -0.555 119.383 119.800 0.230 0.000 2.204 356 Q HA -0.009 4.331 4.340 -0.001 0.000 0.198 356 Q C 2.450 178.473 176.000 0.038 0.000 0.946 356 Q CA 1.139 57.008 55.803 0.109 0.000 0.859 356 Q CB -0.562 28.317 28.738 0.235 0.000 0.946 356 Q HN 0.264 nan 8.270 nan 0.000 0.474 357 A N 1.626 124.507 122.820 0.101 0.000 1.948 357 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 357 A C 1.977 179.559 177.584 -0.004 0.000 1.177 357 A CA 1.442 53.567 52.037 0.146 0.000 0.636 357 A CB -0.382 18.780 19.000 0.269 0.000 0.815 357 A HN 0.206 nan 8.150 nan 0.000 0.449 358 R N -1.036 119.291 120.500 -0.290 0.000 2.148 358 R HA -0.001 4.339 4.340 -0.001 0.000 0.223 358 R C 2.284 178.406 176.300 -0.295 0.000 1.088 358 R CA 1.201 56.977 56.100 -0.541 0.000 0.985 358 R CB -0.136 29.799 30.300 -0.608 0.000 0.880 358 R HN 0.530 nan 8.270 nan 0.000 0.451 359 R N -0.130 120.214 120.500 -0.261 0.000 2.112 359 R HA 0.127 4.467 4.340 -0.001 0.000 0.216 359 R C 1.920 178.169 176.300 -0.084 0.000 1.080 359 R CA 1.074 57.046 56.100 -0.214 0.000 0.996 359 R CB 0.042 30.162 30.300 -0.301 0.000 0.902 359 R HN 0.084 nan 8.270 nan 0.000 0.449 360 A N 0.897 123.700 122.820 -0.028 0.000 2.238 360 A HA 0.001 4.321 4.320 -0.001 0.000 0.210 360 A C 0.326 177.958 177.584 0.080 0.000 1.179 360 A CA -0.010 52.045 52.037 0.029 0.000 0.827 360 A CB -0.380 18.654 19.000 0.058 0.000 0.856 360 A HN 0.583 nan 8.150 nan 0.000 0.488 361 N N -0.547 118.226 118.700 0.120 0.000 2.663 361 N HA -0.127 4.612 4.740 -0.001 0.000 0.263 361 N C -1.244 174.406 175.510 0.233 0.000 1.109 361 N CA 0.029 53.217 53.050 0.230 0.000 0.701 361 N CB -1.025 37.556 38.487 0.158 0.000 0.879 361 N HN 0.390 nan 8.380 nan 0.000 0.550 362 L N 2.459 123.860 121.223 0.298 0.000 2.298 362 L HA 0.567 4.906 4.340 -0.001 0.000 0.284 362 L C 0.393 177.425 176.870 0.269 0.000 1.013 362 L CA -0.495 54.499 54.840 0.256 0.000 0.824 362 L CB 1.574 43.788 42.059 0.258 0.000 1.221 362 L HN 0.230 nan 8.230 nan 0.000 0.418 363 R N 2.353 122.946 120.500 0.154 0.000 2.771 363 R HA 0.638 4.978 4.340 -0.001 0.000 0.274 363 R C -1.516 174.870 176.300 0.143 0.000 0.987 363 R CA -0.854 55.285 56.100 0.066 0.000 0.908 363 R CB 2.628 32.828 30.300 -0.165 0.000 1.213 363 R HN 0.471 nan 8.270 nan 0.000 0.468 364 Y N -1.437 118.829 120.300 -0.056 0.000 2.665 364 Y HA 0.609 5.158 4.550 -0.001 0.000 0.336 364 Y C -0.924 174.958 175.900 -0.031 0.000 1.085 364 Y CA -1.596 56.482 58.100 -0.036 0.000 1.096 364 Y CB 1.175 39.622 38.460 -0.022 0.000 1.301 364 Y HN 0.432 nan 8.280 nan 0.000 0.493 365 R N 2.413 122.899 120.500 -0.023 0.000 2.265 365 R HA 0.255 4.595 4.340 -0.001 0.000 0.328 365 R C -0.938 175.359 176.300 -0.006 0.000 0.969 365 R CA -0.622 55.410 56.100 -0.114 0.000 0.832 365 R CB 0.523 30.809 30.300 -0.023 0.000 1.139 365 R HN 0.952 nan 8.270 nan 0.000 0.457 366 D N 5.465 125.736 120.400 -0.215 0.000 2.411 366 D HA 0.102 4.742 4.640 -0.001 0.000 0.251 366 D C -1.649 174.502 176.300 -0.248 0.000 1.201 366 D CA -1.921 52.012 54.000 -0.112 0.000 0.996 366 D CB 0.829 41.498 40.800 -0.218 0.000 1.101 366 D HN 0.322 nan 8.370 nan 0.000 0.504 367 P HA -0.067 nan 4.420 nan 0.000 0.234 367 P C 0.287 177.438 177.300 -0.247 0.000 1.167 367 P CA 0.784 63.579 63.100 -0.510 0.000 0.763 367 P CB 0.295 31.525 31.700 -0.783 0.000 0.835 368 E N -0.566 119.518 120.200 -0.194 0.000 2.444 368 E HA 0.193 4.543 4.350 -0.001 0.000 0.191 368 E C 1.407 177.939 176.600 -0.113 0.000 1.041 368 E CA 0.167 56.489 56.400 -0.130 0.000 0.883 368 E CB -0.424 29.209 29.700 -0.112 0.000 1.024 368 E HN 0.261 nan 8.360 nan 0.000 0.470 369 G N 2.348 111.077 108.800 -0.118 0.000 2.168 369 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.263 369 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.263 369 G C 0.501 175.332 174.900 -0.114 0.000 0.977 369 G CA 0.640 45.682 45.100 -0.097 0.000 0.659 369 G HN 0.229 nan 8.290 nan 0.000 0.533 370 R N -0.009 120.405 120.500 -0.144 0.000 2.357 370 R HA 0.587 4.926 4.340 -0.001 0.000 0.296 370 R C 0.269 176.425 176.300 -0.241 0.000 1.052 370 R CA -0.421 55.582 56.100 -0.163 0.000 0.988 370 R CB 1.070 31.282 30.300 -0.147 0.000 1.025 370 R HN 0.149 nan 8.270 nan 0.000 0.469 371 V N 6.300 126.073 119.914 -0.235 0.000 2.461 371 V HA 0.423 4.542 4.120 -0.001 0.000 0.275 371 V C 0.360 176.225 176.094 -0.381 0.000 1.047 371 V CA -0.187 61.925 62.300 -0.312 0.000 0.955 371 V CB 0.875 32.558 31.823 -0.234 0.000 0.988 371 V HN 0.649 nan 8.190 nan 0.000 0.471 372 R N 2.876 123.040 120.500 -0.562 0.000 2.854 372 R HA 0.468 4.807 4.340 -0.001 0.000 0.271 372 R C -1.298 174.783 176.300 -0.365 0.000 0.996 372 R CA -0.897 54.915 56.100 -0.481 0.000 0.961 372 R CB 1.910 31.874 30.300 -0.560 0.000 1.182 372 R HN 0.526 nan 8.270 nan 0.000 0.479 373 Y N 0.369 120.680 120.300 0.018 0.000 2.359 373 Y HA 0.258 4.807 4.550 -0.001 0.000 0.330 373 Y C 1.046 177.114 175.900 0.281 0.000 1.143 373 Y CA 0.251 58.434 58.100 0.140 0.000 1.318 373 Y CB 0.821 39.363 38.460 0.137 0.000 1.234 373 Y HN 0.638 nan 8.280 nan 0.000 0.522 374 A N 2.865 125.975 122.820 0.484 0.000 2.246 374 A HA 0.552 4.872 4.320 -0.001 0.000 0.291 374 A C -1.416 176.405 177.584 0.394 0.000 1.103 374 A CA -0.462 51.776 52.037 0.336 0.000 0.844 374 A CB 0.326 19.420 19.000 0.157 0.000 1.136 374 A HN 0.589 nan 8.150 nan 0.000 0.500 375 Y N 0.124 120.446 120.300 0.036 0.000 2.342 375 Y HA 0.533 5.082 4.550 -0.001 0.000 0.334 375 Y C 0.936 176.815 175.900 -0.036 0.000 1.067 375 Y CA -0.940 57.163 58.100 0.005 0.000 1.128 375 Y CB 1.551 39.984 38.460 -0.045 0.000 1.200 375 Y HN 0.761 nan 8.280 nan 0.000 0.464 376 T N 1.547 116.165 114.554 0.106 0.000 2.908 376 T HA 0.899 5.249 4.350 -0.001 0.000 0.290 376 T C -0.819 173.860 174.700 -0.035 0.000 1.034 376 T CA -0.714 61.369 62.100 -0.029 0.000 1.010 376 T CB 1.853 70.749 68.868 0.046 0.000 1.068 376 T HN 0.333 nan 8.240 nan 0.000 0.481 377 L N 1.701 122.845 121.223 -0.132 0.000 2.341 377 L HA 0.802 5.141 4.340 -0.001 0.000 0.254 377 L C -0.878 175.953 176.870 -0.064 0.000 1.040 377 L CA -0.897 53.931 54.840 -0.021 0.000 0.837 377 L CB 2.354 44.437 42.059 0.040 0.000 1.425 377 L HN 1.121 nan 8.230 nan 0.000 0.414 378 N N -0.742 117.988 118.700 0.050 0.000 2.815 378 N HA 0.454 5.194 4.740 -0.001 0.000 0.253 378 N C -1.739 173.813 175.510 0.071 0.000 1.202 378 N CA -0.894 52.219 53.050 0.104 0.000 0.925 378 N CB 1.458 40.070 38.487 0.209 0.000 1.622 378 N HN 0.651 nan 8.380 nan 0.000 0.497 379 N N -0.397 118.339 118.700 0.061 0.000 2.331 379 N HA 0.387 5.127 4.740 -0.001 0.000 0.280 379 N C -1.241 174.298 175.510 0.047 0.000 1.155 379 N CA -0.544 52.517 53.050 0.019 0.000 0.822 379 N CB 1.709 40.162 38.487 -0.057 0.000 1.619 379 N HN 0.645 nan 8.380 nan 0.000 0.476 380 T N 1.372 115.961 114.554 0.059 0.000 2.937 380 T HA 0.152 4.502 4.350 -0.001 0.000 0.316 380 T C 1.195 175.942 174.700 0.079 0.000 1.079 380 T CA 0.086 62.209 62.100 0.039 0.000 1.131 380 T CB 1.239 70.066 68.868 -0.068 0.000 1.000 380 T HN 0.638 nan 8.240 nan 0.000 0.549 381 A N 1.977 124.811 122.820 0.025 0.000 1.909 381 A HA 0.542 4.861 4.320 -0.001 0.000 0.209 381 A C 0.322 177.924 177.584 0.029 0.000 1.247 381 A CA 0.460 52.509 52.037 0.021 0.000 0.660 381 A CB 0.145 19.127 19.000 -0.030 0.000 0.910 381 A HN 0.550 nan 8.150 nan 0.000 0.465 382 L N -1.610 119.573 121.223 -0.066 0.000 2.641 382 L HA 0.646 4.986 4.340 -0.001 0.000 0.261 382 L C -0.984 175.837 176.870 -0.083 0.000 0.926 382 L CA 0.074 54.842 54.840 -0.120 0.000 0.917 382 L CB 1.551 43.588 42.059 -0.036 0.000 1.361 382 L HN 0.349 nan 8.230 nan 0.000 0.417 383 A N 2.052 124.794 122.820 -0.130 0.000 2.342 383 A HA 0.929 5.249 4.320 -0.001 0.000 0.323 383 A C -0.422 177.151 177.584 -0.019 0.000 1.125 383 A CA 0.027 52.072 52.037 0.013 0.000 0.785 383 A CB 1.385 20.376 19.000 -0.016 0.000 1.221 383 A HN 0.727 nan 8.150 nan 0.000 0.463 384 T N -0.412 114.202 114.554 0.099 0.000 2.908 384 T HA 0.746 5.096 4.350 -0.001 0.000 0.290 384 T C -2.503 172.230 174.700 0.054 0.000 1.034 384 T CA -1.675 60.435 62.100 0.017 0.000 1.010 384 T CB 2.302 71.205 68.868 0.057 0.000 1.068 384 T HN 0.327 nan 8.240 nan 0.000 0.481 385 P HA 0.189 nan 4.420 nan 0.000 0.261 385 P C 1.163 178.275 177.300 -0.314 0.000 1.268 385 P CA -0.230 62.685 63.100 -0.308 0.000 0.833 385 P CB 0.315 31.591 31.700 -0.707 0.000 1.231 386 R N 0.461 120.766 120.500 -0.325 0.000 2.117 386 R HA -0.135 4.205 4.340 -0.001 0.000 0.243 386 R C 1.964 178.093 176.300 -0.284 0.000 1.143 386 R CA 1.133 57.040 56.100 -0.322 0.000 0.968 386 R CB -0.798 29.303 30.300 -0.331 0.000 0.863 386 R HN 0.055 nan 8.270 nan 0.000 0.444 387 I N 0.917 121.342 120.570 -0.241 0.000 2.614 387 I HA -0.189 3.981 4.170 -0.001 0.000 0.258 387 I C 1.719 177.701 176.117 -0.225 0.000 1.189 387 I CA 1.101 62.274 61.300 -0.212 0.000 1.462 387 I CB 0.045 37.935 38.000 -0.183 0.000 1.092 387 I HN 0.226 nan 8.210 nan 0.000 0.442 388 L N -0.281 120.798 121.223 -0.239 0.000 2.109 388 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 388 L C 2.667 179.395 176.870 -0.237 0.000 1.086 388 L CA 1.070 55.788 54.840 -0.204 0.000 0.760 388 L CB -0.898 41.063 42.059 -0.163 0.000 0.910 388 L HN 0.273 nan 8.230 nan 0.000 0.437 389 A N 0.046 122.616 122.820 -0.415 0.000 1.892 389 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 389 A C 2.167 179.519 177.584 -0.387 0.000 1.188 389 A CA 2.239 53.839 52.037 -0.728 0.000 0.631 389 A CB -0.464 17.907 19.000 -1.048 0.000 0.822 389 A HN 0.320 nan 8.150 nan 0.000 0.447 390 M N -0.805 118.622 119.600 -0.288 0.000 2.288 390 M HA 0.112 4.591 4.480 -0.001 0.000 0.266 390 M C 1.980 178.159 176.300 -0.202 0.000 1.072 390 M CA 0.929 56.101 55.300 -0.214 0.000 1.132 390 M CB -0.435 32.060 32.600 -0.175 0.000 1.386 390 M HN 0.339 nan 8.290 nan 0.000 0.432 391 L N -0.755 120.351 121.223 -0.195 0.000 2.027 391 L HA -0.175 4.165 4.340 -0.001 0.000 0.206 391 L C 2.236 179.040 176.870 -0.111 0.000 1.074 391 L CA 1.069 55.779 54.840 -0.217 0.000 0.745 391 L CB -0.559 41.464 42.059 -0.061 0.000 0.898 391 L HN 0.296 nan 8.230 nan 0.000 0.433 392 L N -0.556 120.662 121.223 -0.008 0.000 1.994 392 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 392 L C 2.539 179.455 176.870 0.077 0.000 1.071 392 L CA 1.503 56.393 54.840 0.084 0.000 0.745 392 L CB -0.662 41.469 42.059 0.120 0.000 0.892 392 L HN 0.309 nan 8.230 nan 0.000 0.431 393 E N -0.022 120.193 120.200 0.025 0.000 2.110 393 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 393 E C 1.846 178.520 176.600 0.124 0.000 0.988 393 E CA 0.940 57.359 56.400 0.032 0.000 0.804 393 E CB -0.131 29.558 29.700 -0.018 0.000 0.745 393 E HN 0.503 nan 8.360 nan 0.000 0.458 394 N N -0.008 118.720 118.700 0.047 0.000 2.376 394 N HA -0.048 4.691 4.740 -0.001 0.000 0.177 394 N C 0.945 176.594 175.510 0.232 0.000 1.024 394 N CA 0.732 53.844 53.050 0.104 0.000 0.893 394 N CB 0.147 38.549 38.487 -0.142 0.000 0.980 394 N HN 0.375 nan 8.380 nan 0.000 0.439 395 H N 0.216 119.411 119.070 0.208 0.000 2.652 395 H HA 0.097 4.653 4.556 -0.001 0.000 0.274 395 H C 0.277 175.740 175.328 0.225 0.000 1.021 395 H CA -0.486 55.673 56.048 0.185 0.000 1.187 395 H CB 0.588 30.419 29.762 0.115 0.000 1.505 395 H HN 0.283 nan 8.280 nan 0.000 0.530 396 Q N 1.582 121.595 119.800 0.355 0.000 2.315 396 Q HA 0.089 4.428 4.340 -0.001 0.000 0.289 396 Q C -0.642 175.600 176.000 0.403 0.000 1.044 396 Q CA 0.391 56.375 55.803 0.302 0.000 0.920 396 Q CB 1.130 29.987 28.738 0.198 0.000 1.214 396 Q HN 0.355 nan 8.270 nan 0.000 0.392 397 L N 1.752 123.109 121.223 0.223 0.000 2.365 397 L HA 0.162 4.502 4.340 -0.001 0.000 0.267 397 L C 1.633 178.347 176.870 -0.260 0.000 1.033 397 L CA -0.744 54.181 54.840 0.141 0.000 0.802 397 L CB 0.977 43.077 42.059 0.068 0.000 1.267 397 L HN 0.846 nan 8.230 nan 0.000 0.457 398 Q N 0.615 120.090 119.800 -0.543 0.000 2.173 398 Q HA -0.243 4.096 4.340 -0.001 0.000 0.208 398 Q C 0.897 176.530 176.000 -0.613 0.000 0.989 398 Q CA 2.244 57.411 55.803 -1.059 0.000 0.872 398 Q CB 0.084 28.519 28.738 -0.505 0.000 0.909 398 Q HN 0.796 nan 8.270 nan 0.000 0.420 399 D N -1.956 118.253 120.400 -0.319 0.000 2.338 399 D HA 0.052 4.692 4.640 -0.001 0.000 0.239 399 D C 0.946 177.132 176.300 -0.191 0.000 1.095 399 D CA 0.810 54.681 54.000 -0.215 0.000 0.888 399 D CB -0.185 40.537 40.800 -0.130 0.000 0.899 399 D HN 0.427 nan 8.370 nan 0.000 0.525 400 G N 0.014 108.687 108.800 -0.211 0.000 2.159 400 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.256 400 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.256 400 G C 0.327 175.181 174.900 -0.076 0.000 0.977 400 G CA 0.009 45.020 45.100 -0.148 0.000 0.652 400 G HN 0.475 nan 8.290 nan 0.000 0.531 401 R N -1.032 119.463 120.500 -0.010 0.000 2.553 401 R HA 0.688 5.027 4.340 -0.001 0.000 0.263 401 R C -0.356 176.057 176.300 0.188 0.000 1.066 401 R CA -0.606 55.568 56.100 0.124 0.000 1.135 401 R CB 1.656 32.007 30.300 0.084 0.000 1.148 401 R HN 0.083 nan 8.270 nan 0.000 0.558 402 V N 2.562 122.624 119.914 0.246 0.000 2.588 402 V HA 0.341 4.461 4.120 -0.001 0.000 0.304 402 V C -0.142 175.992 176.094 0.067 0.000 1.042 402 V CA -0.882 61.527 62.300 0.182 0.000 0.877 402 V CB 1.675 33.605 31.823 0.179 0.000 0.996 402 V HN 0.763 nan 8.190 nan 0.000 0.425 403 R N 3.430 123.969 120.500 0.064 0.000 2.543 403 R HA 0.770 5.110 4.340 -0.001 0.000 0.268 403 R C -1.007 175.225 176.300 -0.114 0.000 1.067 403 R CA -0.700 55.378 56.100 -0.036 0.000 1.142 403 R CB 0.857 31.133 30.300 -0.040 0.000 1.110 403 R HN 0.340 nan 8.270 nan 0.000 0.549 404 V N 2.250 122.065 119.914 -0.164 0.000 2.427 404 V HA 0.264 4.384 4.120 -0.001 0.000 0.286 404 V C -2.034 173.963 176.094 -0.161 0.000 1.034 404 V CA -2.432 59.763 62.300 -0.175 0.000 0.893 404 V CB 1.324 33.030 31.823 -0.195 0.000 0.982 404 V HN 0.739 nan 8.190 nan 0.000 0.452 405 P HA -0.011 nan 4.420 nan 0.000 0.266 405 P C 0.648 177.886 177.300 -0.104 0.000 1.186 405 P CA 0.070 63.064 63.100 -0.177 0.000 0.767 405 P CB 0.454 32.082 31.700 -0.120 0.000 0.820 406 Q N 2.608 122.363 119.800 -0.075 0.000 2.077 406 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 406 Q C 2.087 178.081 176.000 -0.010 0.000 0.989 406 Q CA 2.484 58.268 55.803 -0.032 0.000 0.853 406 Q CB -1.371 27.362 28.738 -0.010 0.000 0.907 406 Q HN 0.618 nan 8.270 nan 0.000 0.418 407 A N -0.202 122.604 122.820 -0.023 0.000 2.125 407 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 407 A C 1.879 179.441 177.584 -0.036 0.000 1.156 407 A CA 0.959 53.000 52.037 0.007 0.000 0.671 407 A CB -0.276 18.721 19.000 -0.004 0.000 0.794 407 A HN 0.290 nan 8.150 nan 0.000 0.459 408 L N -0.958 120.201 121.223 -0.107 0.000 2.640 408 L HA 0.273 4.613 4.340 -0.001 0.000 0.230 408 L C 1.788 178.726 176.870 0.113 0.000 1.123 408 L CA 0.150 54.974 54.840 -0.026 0.000 0.900 408 L CB 0.063 42.058 42.059 -0.107 0.000 1.146 408 L HN 0.324 nan 8.230 nan 0.000 0.484 409 I N 0.608 121.211 120.570 0.055 0.000 2.179 409 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 409 I C -0.385 175.763 176.117 0.051 0.000 1.088 409 I CA 1.275 62.593 61.300 0.029 0.000 1.357 409 I CB -1.118 36.882 38.000 0.000 0.000 1.051 409 I HN 0.222 nan 8.210 nan 0.000 0.409 410 P HA -0.188 nan 4.420 nan 0.000 0.217 410 P C 1.118 178.344 177.300 -0.123 0.000 1.148 410 P CA 1.582 64.651 63.100 -0.051 0.000 0.828 410 P CB -0.107 31.534 31.700 -0.099 0.000 0.783 411 Y N -2.900 117.416 120.300 0.027 0.000 2.519 411 Y HA 0.073 4.623 4.550 -0.001 0.000 0.287 411 Y C 2.257 178.174 175.900 0.029 0.000 1.128 411 Y CA 0.672 58.796 58.100 0.040 0.000 1.282 411 Y CB -0.241 38.254 38.460 0.060 0.000 1.027 411 Y HN -0.088 nan 8.280 nan 0.000 0.551 412 M N -1.385 118.299 119.600 0.140 0.000 2.653 412 M HA 0.322 4.801 4.480 -0.001 0.000 0.259 412 M C 1.791 178.101 176.300 0.017 0.000 1.244 412 M CA 1.021 56.363 55.300 0.070 0.000 1.163 412 M CB -0.077 32.535 32.600 0.020 0.000 1.309 412 M HN 0.184 nan 8.290 nan 0.000 0.509 413 G N 1.269 110.072 108.800 0.005 0.000 2.184 413 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.264 413 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.264 413 G C 0.111 175.000 174.900 -0.018 0.000 0.975 413 G CA 0.777 45.871 45.100 -0.011 0.000 0.642 413 G HN 0.598 nan 8.290 nan 0.000 0.536 414 K N -1.012 119.371 120.400 -0.029 0.000 2.562 414 K HA 0.603 4.923 4.320 -0.001 0.000 0.267 414 K C 0.133 176.699 176.600 -0.058 0.000 0.938 414 K CA -0.359 55.905 56.287 -0.038 0.000 0.840 414 K CB 1.431 33.908 32.500 -0.038 0.000 1.390 414 K HN 0.010 nan 8.250 nan 0.000 0.428 415 E N 1.195 121.366 120.200 -0.049 0.000 2.427 415 E HA 0.005 4.354 4.350 -0.001 0.000 0.196 415 E C -0.446 176.109 176.600 -0.075 0.000 1.028 415 E CA 0.315 56.681 56.400 -0.058 0.000 0.864 415 E CB 0.442 30.120 29.700 -0.037 0.000 0.813 415 E HN 0.360 nan 8.360 nan 0.000 0.514 416 V N 0.551 120.422 119.914 -0.072 0.000 2.891 416 V HA 0.322 4.442 4.120 -0.001 0.000 0.304 416 V C -1.297 174.759 176.094 -0.063 0.000 1.171 416 V CA -1.016 61.247 62.300 -0.060 0.000 0.943 416 V CB 1.663 33.480 31.823 -0.010 0.000 1.037 416 V HN 0.112 nan 8.190 nan 0.000 0.427 417 L N 5.056 126.231 121.223 -0.080 0.000 2.349 417 L HA 0.574 4.914 4.340 -0.001 0.000 0.275 417 L C 0.231 177.245 176.870 0.240 0.000 1.115 417 L CA -0.141 54.668 54.840 -0.052 0.000 0.820 417 L CB 0.925 42.778 42.059 -0.343 0.000 1.135 417 L HN 0.667 nan 8.230 nan 0.000 0.445 418 E N 3.888 124.258 120.200 0.283 0.000 2.207 418 E HA 0.395 4.745 4.350 -0.001 0.000 0.270 418 E C -2.337 174.493 176.600 0.383 0.000 0.927 418 E CA -1.966 54.597 56.400 0.272 0.000 0.799 418 E CB 1.984 31.766 29.700 0.136 0.000 1.172 418 E HN 0.359 nan 8.360 nan 0.000 0.404 419 P HA -0.053 nan 4.420 nan 0.000 0.269 419 P C -0.428 176.908 177.300 0.059 0.000 1.209 419 P CA -0.121 62.941 63.100 -0.064 0.000 0.776 419 P CB 0.585 32.185 31.700 -0.165 0.000 0.876 420 C N 3.097 122.420 119.300 0.038 0.000 2.136 420 C HA 0.688 5.147 4.460 -0.001 0.000 0.381 420 C C 0.698 175.701 174.990 0.022 0.000 1.039 420 C CA 1.146 60.219 59.018 0.092 0.000 1.491 420 C CB -1.752 26.090 27.740 0.169 0.000 1.663 420 C HN 0.892 nan 8.230 nan 0.000 0.470 421 G N 0.000 108.805 108.800 0.008 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 421 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925