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 3moe_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMPPQLHNG LDFSAKVIQG SLDSLPQEVR KFVEGNAQLC QPEYIHICDG DATA SEQUENCE SEEEYGRLLA HMQEEGVIRK LKKYDNCWLA LTDPRDVARI ESKTVIITQE DATA SEQUENCE QRDTVPIPKS GQSQLGRWMS EEDFEKAFNA RFPGCMKGRT MYVIPFSMGP DATA SEQUENCE LGSPLAKIGI ELTDSPYVVA SMRIMTRMGT SVLEALGDGE FIKCLHSVGC DATA SEQUENCE PLPLKKPLVN NWACNPELTL IAHLPDRREI ISFGSGYGGN SLLGKKCFAL DATA SEQUENCE RIASRLAKEE GWLAEHMLIL GITNPEGKKK YLAAAFPSAC GKTNLAMMNP DATA SEQUENCE TLPGWKVECV GDDIAWMKFD AQGNLRAINP ENGFFGVAPG TSVKTNPNAI DATA SEQUENCE KTIQKNTIFT NVAETSDGGV YWEGIDEPLA PGVTITSWKN KEWRPQDEEP DATA SEQUENCE CAHPNSRFCT PASQCPIIDP AWESPEGVPI EGIIFGGRRP AGVPLVYEAL DATA SEQUENCE SWQHGVFVGA AMRSEATXXX XXXGKVIMHD PFAMRPFFGY NFGKYLAHWL DATA SEQUENCE SMAHRPAAKL PKIFHVNWFR KDKNGKFLWP GFGENSRVLE WMFGRIEGED DATA SEQUENCE SAKLTPIGYV PKEDALNLKG LGDVNVEELF GISKEFWEKE VEEIDKYLED DATA SEQUENCE QVNADLPYEI ERELRALKQR ISQM 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 4.132 3.960 0.287 0.000 0.244 -1 G C 0.000 174.921 174.900 0.034 0.000 0.946 -1 G CA 0.000 45.121 45.100 0.035 0.000 0.502 0 S N -0.299 115.422 115.700 0.035 0.000 2.617 0 S HA 0.575 5.218 4.470 0.287 0.000 0.269 0 S C 0.667 175.290 174.600 0.038 0.000 1.292 0 S CA -0.489 57.730 58.200 0.032 0.000 1.010 0 S CB 1.318 64.534 63.200 0.028 0.000 0.944 0 S HN 0.904 nan 8.310 nan 0.000 0.536 1 M N 2.226 121.847 119.600 0.034 0.000 2.238 1 M HA 0.224 4.876 4.480 0.287 0.000 0.350 1 M C -2.385 173.940 176.300 0.041 0.000 1.321 1 M CA -1.477 53.847 55.300 0.039 0.000 1.097 1 M CB 0.261 32.879 32.600 0.029 0.000 1.713 1 M HN 0.438 nan 8.290 nan 0.000 0.455 2 P HA 0.329 nan 4.420 nan 0.000 0.275 2 P C -2.661 174.661 177.300 0.037 0.000 1.228 2 P CA -1.016 62.114 63.100 0.049 0.000 0.786 2 P CB -0.500 31.240 31.700 0.066 0.000 0.927 3 P HA 0.160 nan 4.420 nan 0.000 0.268 3 P C -0.698 176.613 177.300 0.019 0.000 1.205 3 P CA 0.260 63.371 63.100 0.018 0.000 0.771 3 P CB 0.501 32.210 31.700 0.014 0.000 0.858 4 Q N 1.453 121.256 119.800 0.004 0.000 2.331 4 Q HA 0.325 4.838 4.340 0.287 0.000 0.272 4 Q C 0.273 176.241 176.000 -0.052 0.000 1.062 4 Q CA -0.676 55.126 55.803 -0.002 0.000 0.806 4 Q CB 2.121 30.861 28.738 0.004 0.000 1.312 4 Q HN 0.315 nan 8.270 nan 0.000 0.431 5 L N 1.119 122.293 121.223 -0.082 0.000 2.509 5 L HA 0.072 4.584 4.340 0.287 0.000 0.222 5 L C 0.317 176.781 176.870 -0.677 0.000 1.123 5 L CA 0.887 55.555 54.840 -0.288 0.000 0.856 5 L CB 0.060 41.966 42.059 -0.256 0.000 0.985 5 L HN 0.657 nan 8.230 nan 0.000 0.456 6 H N -3.031 116.036 119.070 -0.005 0.000 4.337 6 H HA 0.284 5.012 4.556 0.287 0.000 0.419 6 H C -0.216 175.100 175.328 -0.020 0.000 1.241 6 H CA -0.646 55.394 56.048 -0.014 0.000 0.804 6 H CB 0.330 30.084 29.762 -0.014 0.000 0.983 6 H HN -0.229 nan 8.280 nan 0.000 0.755 7 N N -0.321 118.448 118.700 0.116 0.000 2.598 7 N HA 0.192 5.104 4.740 0.287 0.000 0.295 7 N C -0.130 175.367 175.510 -0.022 0.000 1.729 7 N CA 0.277 53.337 53.050 0.017 0.000 0.877 7 N CB 0.708 39.188 38.487 -0.012 0.000 1.405 7 N HN 0.625 nan 8.380 nan 0.000 0.491 8 G N -0.659 108.152 108.800 0.018 0.000 3.126 8 G HA2 0.193 4.325 3.960 0.287 0.000 0.224 8 G HA3 0.193 4.325 3.960 0.287 0.000 0.224 8 G C 0.819 175.732 174.900 0.022 0.000 1.142 8 G CA 0.070 45.161 45.100 -0.016 0.000 0.759 8 G HN 0.325 nan 8.290 nan 0.000 0.550 9 L N -0.681 120.576 121.223 0.056 0.000 2.685 9 L HA 0.267 4.780 4.340 0.287 0.000 0.235 9 L C 0.153 177.151 176.870 0.213 0.000 1.070 9 L CA -0.153 54.781 54.840 0.156 0.000 0.888 9 L CB 0.529 42.658 42.059 0.117 0.000 1.203 9 L HN -0.017 nan 8.230 nan 0.000 0.499 10 D N 0.227 120.684 120.400 0.096 0.000 2.325 10 D HA 0.067 4.880 4.640 0.287 0.000 0.251 10 D C 0.347 176.681 176.300 0.056 0.000 1.196 10 D CA 0.002 54.066 54.000 0.107 0.000 0.866 10 D CB 0.845 41.668 40.800 0.038 0.000 1.101 10 D HN -0.006 nan 8.370 nan 0.000 0.476 11 F N 1.856 121.807 119.950 0.001 0.000 2.773 11 F HA 0.008 4.710 4.527 0.291 0.000 0.304 11 F C 2.367 178.164 175.800 -0.006 0.000 1.129 11 F CA -0.230 57.766 58.000 -0.007 0.000 1.378 11 F CB 0.363 39.356 39.000 -0.012 0.000 1.095 11 F HN 0.312 nan 8.300 nan 0.000 0.565 12 S N 0.523 116.282 115.700 0.099 0.000 2.374 12 S HA -0.286 4.357 4.470 0.287 0.000 0.227 12 S C 2.392 177.012 174.600 0.033 0.000 1.037 12 S CA 1.317 59.555 58.200 0.063 0.000 1.024 12 S CB -0.428 62.793 63.200 0.036 0.000 0.861 12 S HN 0.451 nan 8.310 nan 0.000 0.456 13 A N 0.866 123.680 122.820 -0.011 0.000 2.178 13 A HA -0.040 4.452 4.320 0.287 0.000 0.218 13 A C 1.767 179.350 177.584 -0.003 0.000 1.157 13 A CA 1.072 53.096 52.037 -0.021 0.000 0.689 13 A CB -0.209 18.756 19.000 -0.059 0.000 0.787 13 A HN 0.468 nan 8.150 nan 0.000 0.465 14 K N -0.502 119.911 120.400 0.023 0.000 2.373 14 K HA 0.247 4.739 4.320 0.287 0.000 0.202 14 K C -0.603 176.071 176.600 0.123 0.000 1.025 14 K CA -0.159 56.167 56.287 0.066 0.000 1.115 14 K CB 0.894 33.437 32.500 0.072 0.000 0.858 14 K HN 0.206 nan 8.250 nan 0.000 0.525 15 V N 3.380 123.350 119.914 0.093 0.000 2.427 15 V HA 0.077 4.370 4.120 0.287 0.000 0.268 15 V C 1.113 177.232 176.094 0.043 0.000 1.046 15 V CA -0.027 62.314 62.300 0.068 0.000 0.970 15 V CB 0.546 32.396 31.823 0.045 0.000 1.001 15 V HN 0.279 nan 8.190 nan 0.000 0.476 16 I N 1.692 122.281 120.570 0.032 0.000 3.968 16 I HA 0.417 4.760 4.170 0.287 0.000 0.328 16 I C 0.550 176.613 176.117 -0.090 0.000 1.290 16 I CA 0.324 61.623 61.300 -0.002 0.000 1.163 16 I CB 0.294 38.304 38.000 0.016 0.000 1.024 16 I HN 0.633 nan 8.210 nan 0.000 0.413 17 Q N 1.377 121.072 119.800 -0.176 0.000 2.295 17 Q HA 0.532 5.045 4.340 0.287 0.000 0.268 17 Q C -0.260 175.628 176.000 -0.186 0.000 1.010 17 Q CA 0.068 55.709 55.803 -0.270 0.000 0.856 17 Q CB 2.103 30.460 28.738 -0.635 0.000 1.349 17 Q HN 0.513 nan 8.270 nan 0.000 0.412 18 G N 1.636 110.369 108.800 -0.112 0.000 2.660 18 G HA2 -0.095 4.037 3.960 0.287 0.000 0.215 18 G HA3 -0.095 4.037 3.960 0.287 0.000 0.215 18 G C -1.007 173.874 174.900 -0.032 0.000 1.345 18 G CA -0.235 44.828 45.100 -0.062 0.000 0.877 18 G HN 1.023 nan 8.290 nan 0.000 0.549 19 S N -1.376 114.315 115.700 -0.015 0.000 2.614 19 S HA 0.572 5.214 4.470 0.287 0.000 0.275 19 S C 1.200 175.805 174.600 0.009 0.000 1.161 19 S CA 0.103 58.303 58.200 -0.000 0.000 0.969 19 S CB 1.260 64.460 63.200 -0.000 0.000 1.059 19 S HN 1.068 nan 8.310 nan 0.000 0.482 20 L N 2.782 124.018 121.223 0.022 0.000 2.191 20 L HA -0.033 4.479 4.340 0.287 0.000 0.212 20 L C 1.608 178.493 176.870 0.026 0.000 1.103 20 L CA 1.017 55.875 54.840 0.029 0.000 0.769 20 L CB -0.263 41.825 42.059 0.048 0.000 0.908 20 L HN 0.647 nan 8.230 nan 0.000 0.438 21 D N -0.549 119.864 120.400 0.022 0.000 2.269 21 D HA -0.111 4.701 4.640 0.287 0.000 0.208 21 D C 2.283 178.591 176.300 0.014 0.000 0.963 21 D CA 1.514 55.526 54.000 0.019 0.000 0.864 21 D CB 0.135 40.945 40.800 0.016 0.000 0.936 21 D HN 0.379 nan 8.370 nan 0.000 0.505 22 S N -0.352 115.354 115.700 0.009 0.000 2.528 22 S HA 0.054 4.696 4.470 0.287 0.000 0.219 22 S C 1.085 175.687 174.600 0.002 0.000 0.985 22 S CA -0.273 57.929 58.200 0.004 0.000 0.914 22 S CB -0.117 63.083 63.200 -0.000 0.000 0.776 22 S HN 0.070 nan 8.310 nan 0.000 0.526 23 L N 2.260 123.486 121.223 0.004 0.000 2.439 23 L HA 0.350 4.863 4.340 0.287 0.000 0.269 23 L C -2.343 174.530 176.870 0.004 0.000 1.179 23 L CA -2.211 52.627 54.840 -0.003 0.000 0.828 23 L CB -0.157 41.903 42.059 0.001 0.000 1.106 23 L HN 0.011 nan 8.230 nan 0.000 0.467 24 P HA -0.075 nan 4.420 nan 0.000 0.265 24 P C 0.052 177.379 177.300 0.043 0.000 1.187 24 P CA -0.025 63.084 63.100 0.015 0.000 0.766 24 P CB 0.537 32.239 31.700 0.004 0.000 0.820 25 Q N 2.668 122.502 119.800 0.056 0.000 2.096 25 Q HA -0.269 4.244 4.340 0.287 0.000 0.208 25 Q C 1.516 177.579 176.000 0.106 0.000 0.993 25 Q CA 2.057 57.901 55.803 0.068 0.000 0.862 25 Q CB -0.525 28.248 28.738 0.058 0.000 0.915 25 Q HN 0.386 nan 8.270 nan 0.000 0.416 26 E N -0.886 119.403 120.200 0.148 0.000 2.208 26 E HA -0.058 4.465 4.350 0.287 0.000 0.193 26 E C 2.030 178.835 176.600 0.342 0.000 0.988 26 E CA 0.888 57.425 56.400 0.228 0.000 0.828 26 E CB -0.025 29.833 29.700 0.263 0.000 0.763 26 E HN 0.285 nan 8.360 nan 0.000 0.478 27 V N 1.208 121.245 119.914 0.206 0.000 2.427 27 V HA -0.207 4.085 4.120 0.287 0.000 0.248 27 V C 2.579 178.758 176.094 0.142 0.000 1.051 27 V CA 1.741 64.086 62.300 0.076 0.000 1.048 27 V CB -0.505 31.203 31.823 -0.191 0.000 0.666 27 V HN 0.175 nan 8.190 nan 0.000 0.456 28 R N 0.554 121.113 120.500 0.098 0.000 2.083 28 R HA -0.204 4.308 4.340 0.287 0.000 0.237 28 R C 2.393 178.753 176.300 0.100 0.000 1.137 28 R CA 1.875 58.022 56.100 0.078 0.000 0.951 28 R CB -0.203 30.134 30.300 0.061 0.000 0.851 28 R HN 0.454 nan 8.270 nan 0.000 0.434 29 K N -0.453 120.030 120.400 0.138 0.000 2.097 29 K HA -0.175 4.317 4.320 0.287 0.000 0.206 29 K C 1.949 178.659 176.600 0.183 0.000 1.049 29 K CA 1.489 57.858 56.287 0.136 0.000 0.933 29 K CB -0.328 32.253 32.500 0.136 0.000 0.717 29 K HN 0.141 nan 8.250 nan 0.000 0.442 30 F N 1.662 121.672 119.950 0.100 0.000 2.102 30 F HA -0.214 4.485 4.527 0.286 0.000 0.298 30 F C 1.913 177.745 175.800 0.053 0.000 1.105 30 F CA 1.124 59.188 58.000 0.107 0.000 1.239 30 F CB -0.517 38.626 39.000 0.238 0.000 0.991 30 F HN -0.284 nan 8.300 nan 0.000 0.474 31 V N 0.260 120.103 119.914 -0.118 0.000 2.261 31 V HA -0.291 4.001 4.120 0.287 0.000 0.246 31 V C 2.417 178.356 176.094 -0.258 0.000 1.047 31 V CA 2.350 64.493 62.300 -0.260 0.000 1.015 31 V CB -0.712 31.049 31.823 -0.105 0.000 0.642 31 V HN 0.374 nan 8.190 nan 0.000 0.446 32 E N -0.159 119.952 120.200 -0.148 0.000 2.152 32 E HA -0.090 4.432 4.350 0.287 0.000 0.192 32 E C 2.244 178.730 176.600 -0.190 0.000 0.983 32 E CA 0.919 57.207 56.400 -0.187 0.000 0.818 32 E CB -0.282 29.410 29.700 -0.013 0.000 0.758 32 E HN 0.589 nan 8.360 nan 0.000 0.467 33 G N 0.883 109.630 108.800 -0.088 0.000 2.402 33 G HA2 -0.236 3.896 3.960 0.287 0.000 0.216 33 G HA3 -0.236 3.896 3.960 0.287 0.000 0.216 33 G C 1.485 176.329 174.900 -0.094 0.000 1.162 33 G CA 0.546 45.621 45.100 -0.042 0.000 0.777 33 G HN 0.185 nan 8.290 nan 0.000 0.539 34 N N 1.079 119.675 118.700 -0.173 0.000 2.331 34 N HA -0.021 4.892 4.740 0.287 0.000 0.180 34 N C 2.487 177.852 175.510 -0.242 0.000 1.019 34 N CA 0.939 53.882 53.050 -0.178 0.000 0.881 34 N CB -0.141 38.187 38.487 -0.265 0.000 0.972 34 N HN 0.310 nan 8.380 nan 0.000 0.435 35 A N 1.412 123.972 122.820 -0.433 0.000 1.930 35 A HA -0.158 4.335 4.320 0.287 0.000 0.217 35 A C 2.167 179.381 177.584 -0.618 0.000 1.175 35 A CA 1.086 52.700 52.037 -0.705 0.000 0.627 35 A CB -0.450 17.723 19.000 -1.379 0.000 0.815 35 A HN 0.291 nan 8.150 nan 0.000 0.443 36 Q N -1.028 118.530 119.800 -0.404 0.000 2.096 36 Q HA -0.174 4.338 4.340 0.287 0.000 0.204 36 Q C 2.097 178.118 176.000 0.035 0.000 0.982 36 Q CA 1.624 57.437 55.803 0.016 0.000 0.850 36 Q CB -0.346 28.443 28.738 0.086 0.000 0.901 36 Q HN 0.635 nan 8.270 nan 0.000 0.422 37 L N -0.385 120.834 121.223 -0.007 0.000 2.044 37 L HA -0.096 4.416 4.340 0.287 0.000 0.205 37 L C 1.896 178.781 176.870 0.025 0.000 1.075 37 L CA 1.738 56.596 54.840 0.030 0.000 0.747 37 L CB -0.372 41.720 42.059 0.056 0.000 0.903 37 L HN 0.230 nan 8.230 nan 0.000 0.435 38 C N -0.269 119.035 119.300 0.007 0.000 2.563 38 C HA 0.171 4.804 4.460 0.287 0.000 0.268 38 C C 0.751 175.756 174.990 0.024 0.000 1.365 38 C CA -0.452 58.586 59.018 0.033 0.000 1.754 38 C CB -0.730 27.045 27.740 0.058 0.000 1.932 38 C HN 0.677 nan 8.230 nan 0.000 0.536 39 Q N -0.481 119.337 119.800 0.031 0.000 2.460 39 Q HA -0.150 4.363 4.340 0.287 0.000 0.311 39 Q C -2.385 173.659 176.000 0.073 0.000 1.396 39 Q CA 0.726 56.591 55.803 0.103 0.000 0.838 39 Q CB -1.720 27.067 28.738 0.083 0.000 1.140 39 Q HN 0.466 nan 8.270 nan 0.000 0.415 40 P HA 0.018 nan 4.420 nan 0.000 0.272 40 P C 0.751 178.060 177.300 0.015 0.000 1.230 40 P CA 0.095 63.209 63.100 0.023 0.000 0.788 40 P CB 0.822 32.521 31.700 -0.002 0.000 0.949 41 E N 1.235 121.358 120.200 -0.128 0.000 2.107 41 E HA -0.077 4.445 4.350 0.287 0.000 0.191 41 E C -0.285 176.004 176.600 -0.519 0.000 0.982 41 E CA 1.544 57.691 56.400 -0.422 0.000 0.809 41 E CB -0.208 29.091 29.700 -0.668 0.000 0.756 41 E HN 0.463 nan 8.360 nan 0.000 0.459 42 Y N -1.211 119.103 120.300 0.023 0.000 2.553 42 Y HA 0.522 5.243 4.550 0.286 0.000 0.347 42 Y C -0.463 175.425 175.900 -0.019 0.000 1.019 42 Y CA -1.045 57.053 58.100 -0.003 0.000 1.032 42 Y CB 1.616 40.043 38.460 -0.055 0.000 1.284 42 Y HN -0.217 nan 8.280 nan 0.000 0.466 43 I N 1.701 122.353 120.570 0.136 0.000 2.466 43 I HA 0.272 4.614 4.170 0.287 0.000 0.289 43 I C -1.211 174.937 176.117 0.051 0.000 1.026 43 I CA -0.613 60.718 61.300 0.051 0.000 1.078 43 I CB 1.911 39.945 38.000 0.056 0.000 1.249 43 I HN 0.687 nan 8.210 nan 0.000 0.429 44 H N 6.757 125.764 119.070 -0.105 0.000 2.638 44 H HA 0.546 5.274 4.556 0.287 0.000 0.317 44 H C -1.006 174.345 175.328 0.039 0.000 1.006 44 H CA -0.502 55.516 56.048 -0.049 0.000 1.222 44 H CB 1.052 30.732 29.762 -0.136 0.000 1.419 44 H HN 0.460 nan 8.280 nan 0.000 0.489 45 I N 6.011 126.558 120.570 -0.038 0.000 2.301 45 I HA 0.104 4.447 4.170 0.287 0.000 0.292 45 I C 0.071 176.236 176.117 0.079 0.000 1.046 45 I CA -0.531 60.800 61.300 0.052 0.000 1.282 45 I CB 0.519 38.520 38.000 0.001 0.000 1.409 45 I HN 0.611 nan 8.210 nan 0.000 0.484 46 C N 4.996 124.447 119.300 0.252 0.000 2.637 46 C HA 0.054 4.686 4.460 0.287 0.000 0.418 46 C C 1.453 176.522 174.990 0.131 0.000 1.319 46 C CA -0.380 58.798 59.018 0.266 0.000 1.949 46 C CB -0.108 27.776 27.740 0.241 0.000 2.639 46 C HN 0.828 nan 8.230 nan 0.000 0.594 47 D N -0.142 120.326 120.400 0.113 0.000 2.407 47 D HA 0.180 4.992 4.640 0.287 0.000 0.208 47 D C 1.453 177.784 176.300 0.052 0.000 1.083 47 D CA 0.643 54.679 54.000 0.060 0.000 0.844 47 D CB -0.246 40.577 40.800 0.038 0.000 0.967 47 D HN 0.933 nan 8.370 nan 0.000 0.506 48 G N 0.590 109.425 108.800 0.058 0.000 2.168 48 G HA2 -0.311 3.822 3.960 0.287 0.000 0.263 48 G HA3 -0.311 3.822 3.960 0.287 0.000 0.263 48 G C 0.473 175.378 174.900 0.008 0.000 0.977 48 G CA 0.687 45.794 45.100 0.011 0.000 0.659 48 G HN 0.888 nan 8.290 nan 0.000 0.533 49 S N -0.483 115.243 115.700 0.044 0.000 2.593 49 S HA 0.454 5.097 4.470 0.287 0.000 0.269 49 S C 1.207 175.855 174.600 0.080 0.000 1.334 49 S CA 0.487 58.717 58.200 0.051 0.000 1.015 49 S CB 1.415 64.650 63.200 0.059 0.000 0.912 49 S HN 0.346 nan 8.310 nan 0.000 0.541 50 E N 1.160 121.412 120.200 0.087 0.000 2.118 50 E HA -0.176 4.346 4.350 0.287 0.000 0.195 50 E C 1.956 178.647 176.600 0.150 0.000 0.992 50 E CA 1.559 58.042 56.400 0.138 0.000 0.804 50 E CB -0.114 29.651 29.700 0.109 0.000 0.741 50 E HN 0.791 nan 8.360 nan 0.000 0.458 51 E N 0.972 121.236 120.200 0.107 0.000 2.072 51 E HA -0.210 4.312 4.350 0.287 0.000 0.191 51 E C 1.938 178.600 176.600 0.103 0.000 0.985 51 E CA 0.861 57.315 56.400 0.091 0.000 0.801 51 E CB -0.487 29.255 29.700 0.070 0.000 0.750 51 E HN 0.425 nan 8.360 nan 0.000 0.452 52 E N 0.362 120.637 120.200 0.125 0.000 2.058 52 E HA -0.244 4.279 4.350 0.287 0.000 0.194 52 E C 2.096 178.787 176.600 0.152 0.000 0.997 52 E CA 0.943 57.434 56.400 0.152 0.000 0.801 52 E CB -0.302 29.508 29.700 0.183 0.000 0.746 52 E HN 0.232 nan 8.360 nan 0.000 0.450 53 Y N 0.843 121.142 120.300 -0.002 0.000 2.128 53 Y HA -0.099 4.624 4.550 0.288 0.000 0.284 53 Y C 2.186 178.046 175.900 -0.066 0.000 1.154 53 Y CA 2.046 60.115 58.100 -0.051 0.000 1.149 53 Y CB -0.874 37.562 38.460 -0.039 0.000 0.976 53 Y HN 0.130 nan 8.280 nan 0.000 0.505 54 G N -0.176 108.616 108.800 -0.013 0.000 2.422 54 G HA2 -0.235 3.897 3.960 0.287 0.000 0.218 54 G HA3 -0.235 3.897 3.960 0.287 0.000 0.218 54 G C 1.716 176.563 174.900 -0.087 0.000 1.146 54 G CA 0.715 45.752 45.100 -0.106 0.000 0.769 54 G HN 0.197 nan 8.290 nan 0.000 0.547 55 R N -0.207 120.283 120.500 -0.016 0.000 2.075 55 R HA 0.076 4.588 4.340 0.287 0.000 0.232 55 R C 2.439 178.725 176.300 -0.023 0.000 1.126 55 R CA 0.555 56.657 56.100 0.002 0.000 0.963 55 R CB -1.337 28.987 30.300 0.040 0.000 0.858 55 R HN 0.433 nan 8.270 nan 0.000 0.435 56 L N 0.418 121.606 121.223 -0.059 0.000 2.017 56 L HA -0.080 4.432 4.340 0.287 0.000 0.208 56 L C 1.982 178.738 176.870 -0.191 0.000 1.073 56 L CA 1.564 56.352 54.840 -0.087 0.000 0.745 56 L CB -0.458 41.527 42.059 -0.122 0.000 0.894 56 L HN 0.098 nan 8.230 nan 0.000 0.432 57 L N -0.642 120.340 121.223 -0.400 0.000 2.042 57 L HA -0.219 4.293 4.340 0.287 0.000 0.210 57 L C 2.710 179.304 176.870 -0.459 0.000 1.076 57 L CA 1.297 55.715 54.840 -0.703 0.000 0.749 57 L CB -1.036 40.283 42.059 -1.234 0.000 0.893 57 L HN 0.384 nan 8.230 nan 0.000 0.432 58 A N -0.554 122.137 122.820 -0.214 0.000 1.883 58 A HA -0.316 4.176 4.320 0.287 0.000 0.217 58 A C 2.169 179.769 177.584 0.027 0.000 1.186 58 A CA 2.088 54.108 52.037 -0.028 0.000 0.624 58 A CB -0.882 18.137 19.000 0.030 0.000 0.822 58 A HN 0.536 nan 8.150 nan 0.000 0.444 59 H N -0.192 118.832 119.070 -0.077 0.000 2.319 59 H HA -0.096 4.632 4.556 0.286 0.000 0.299 59 H C 1.911 177.217 175.328 -0.038 0.000 1.092 59 H CA 2.415 58.437 56.048 -0.044 0.000 1.302 59 H CB -0.371 29.365 29.762 -0.043 0.000 1.373 59 H HN 0.447 nan 8.280 nan 0.000 0.497 60 M N -0.328 119.137 119.600 -0.225 0.000 2.175 60 M HA -0.160 4.492 4.480 0.287 0.000 0.264 60 M C 2.509 178.745 176.300 -0.106 0.000 1.063 60 M CA 1.704 56.860 55.300 -0.240 0.000 1.119 60 M CB -0.218 32.280 32.600 -0.170 0.000 1.377 60 M HN 0.431 nan 8.290 nan 0.000 0.415 61 Q N 0.849 120.623 119.800 -0.043 0.000 2.084 61 Q HA -0.202 4.310 4.340 0.287 0.000 0.202 61 Q C 1.595 177.629 176.000 0.057 0.000 0.978 61 Q CA 1.561 57.417 55.803 0.088 0.000 0.844 61 Q CB 0.092 28.959 28.738 0.216 0.000 0.898 61 Q HN 0.544 nan 8.270 nan 0.000 0.426 62 E N -0.019 120.199 120.200 0.031 0.000 2.110 62 E HA -0.161 4.361 4.350 0.287 0.000 0.193 62 E C 1.522 178.128 176.600 0.010 0.000 0.988 62 E CA 0.919 57.344 56.400 0.042 0.000 0.804 62 E CB 0.165 29.913 29.700 0.079 0.000 0.745 62 E HN 0.308 nan 8.360 nan 0.000 0.458 63 E N -0.559 119.602 120.200 -0.065 0.000 2.489 63 E HA 0.020 4.542 4.350 0.287 0.000 0.193 63 E C 1.035 177.621 176.600 -0.023 0.000 1.057 63 E CA 0.565 56.923 56.400 -0.071 0.000 0.866 63 E CB 0.751 30.332 29.700 -0.198 0.000 0.916 63 E HN 0.381 nan 8.360 nan 0.000 0.500 64 G N 1.135 109.941 108.800 0.011 0.000 2.155 64 G HA2 -0.319 3.814 3.960 0.287 0.000 0.257 64 G HA3 -0.319 3.814 3.960 0.287 0.000 0.257 64 G C 1.173 176.115 174.900 0.070 0.000 0.983 64 G CA 0.573 45.703 45.100 0.050 0.000 0.676 64 G HN 0.286 nan 8.290 nan 0.000 0.528 65 V N 0.504 120.446 119.914 0.046 0.000 2.453 65 V HA 0.193 4.486 4.120 0.287 0.000 0.247 65 V C 1.602 177.795 176.094 0.164 0.000 1.048 65 V CA 2.079 64.431 62.300 0.086 0.000 1.049 65 V CB -0.396 31.434 31.823 0.013 0.000 0.672 65 V HN 0.804 nan 8.190 nan 0.000 0.457 66 I N -2.622 118.045 120.570 0.162 0.000 3.042 66 I HA 0.654 4.997 4.170 0.287 0.000 0.310 66 I C -0.616 175.676 176.117 0.292 0.000 1.117 66 I CA -1.202 60.254 61.300 0.261 0.000 1.003 66 I CB 2.368 40.538 38.000 0.283 0.000 1.228 66 I HN -0.183 nan 8.210 nan 0.000 0.443 67 R N 1.892 122.594 120.500 0.337 0.000 2.740 67 R HA 0.466 4.978 4.340 0.287 0.000 0.282 67 R C -0.904 175.575 176.300 0.299 0.000 0.969 67 R CA -1.029 55.239 56.100 0.279 0.000 0.918 67 R CB 2.503 32.901 30.300 0.163 0.000 1.175 67 R HN 0.562 nan 8.270 nan 0.000 0.464 68 K N 2.383 122.832 120.400 0.082 0.000 2.298 68 K HA 0.181 4.673 4.320 0.287 0.000 0.280 68 K C -0.595 175.847 176.600 -0.263 0.000 1.032 68 K CA -0.178 55.843 56.287 -0.443 0.000 0.958 68 K CB 0.563 32.693 32.500 -0.616 0.000 0.978 68 K HN 0.430 nan 8.250 nan 0.000 0.472 69 L N 6.833 127.877 121.223 -0.298 0.000 2.302 69 L HA 0.163 4.675 4.340 0.287 0.000 0.285 69 L C 1.358 178.073 176.870 -0.258 0.000 1.090 69 L CA -0.213 54.522 54.840 -0.174 0.000 0.866 69 L CB 0.542 42.606 42.059 0.009 0.000 1.244 69 L HN 0.725 nan 8.230 nan 0.000 0.435 70 K N 1.898 122.148 120.400 -0.250 0.000 2.439 70 K HA -0.145 4.347 4.320 0.287 0.000 0.197 70 K C 1.608 178.047 176.600 -0.268 0.000 1.041 70 K CA 0.801 56.949 56.287 -0.231 0.000 0.970 70 K CB 0.117 32.515 32.500 -0.170 0.000 0.773 70 K HN 0.408 nan 8.250 nan 0.000 0.479 71 K N 0.090 120.226 120.400 -0.440 0.000 2.211 71 K HA -0.061 4.431 4.320 0.287 0.000 0.203 71 K C -0.259 176.051 176.600 -0.484 0.000 1.050 71 K CA 0.788 56.730 56.287 -0.574 0.000 0.945 71 K CB 0.108 32.060 32.500 -0.913 0.000 0.732 71 K HN 0.111 nan 8.250 nan 0.000 0.451 72 Y N -0.166 120.091 120.300 -0.071 0.000 2.654 72 Y HA 0.253 4.976 4.550 0.288 0.000 0.327 72 Y C -0.255 175.616 175.900 -0.049 0.000 1.122 72 Y CA -2.169 55.909 58.100 -0.037 0.000 1.227 72 Y CB 0.373 38.836 38.460 0.005 0.000 1.370 72 Y HN -0.134 nan 8.280 nan 0.000 0.528 73 D N 1.017 121.523 120.400 0.176 0.000 2.373 73 D HA 0.087 4.899 4.640 0.287 0.000 0.227 73 D C -0.142 176.215 176.300 0.094 0.000 1.091 73 D CA -0.014 54.041 54.000 0.092 0.000 0.840 73 D CB -0.160 40.697 40.800 0.095 0.000 1.060 73 D HN 0.677 nan 8.370 nan 0.000 0.502 74 N N 3.103 121.823 118.700 0.033 0.000 2.727 74 N HA -0.201 4.711 4.740 0.287 0.000 0.251 74 N C -1.223 174.343 175.510 0.094 0.000 1.040 74 N CA 0.167 53.274 53.050 0.096 0.000 0.712 74 N CB -1.040 37.585 38.487 0.231 0.000 0.912 74 N HN 0.308 nan 8.380 nan 0.000 0.545 75 C N 0.415 119.617 119.300 -0.163 0.000 2.529 75 C HA 0.764 5.396 4.460 0.287 0.000 0.329 75 C C -0.279 174.490 174.990 -0.367 0.000 1.194 75 C CA -0.511 58.529 59.018 0.037 0.000 1.779 75 C CB 0.739 28.683 27.740 0.339 0.000 2.322 75 C HN 0.525 nan 8.230 nan 0.000 0.500 76 W N 1.330 122.826 121.300 0.327 0.000 3.083 76 W HA 0.700 5.532 4.660 0.287 0.000 0.333 76 W C -0.994 175.742 176.519 0.362 0.000 1.217 76 W CA -0.675 56.831 57.345 0.269 0.000 1.170 76 W CB 1.036 30.602 29.460 0.177 0.000 1.437 76 W HN 0.382 nan 8.180 nan 0.000 0.557 77 L N 2.491 124.032 121.223 0.530 0.000 2.406 77 L HA 0.913 5.425 4.340 0.287 0.000 0.272 77 L C -0.807 176.293 176.870 0.384 0.000 0.980 77 L CA -0.686 54.416 54.840 0.437 0.000 0.831 77 L CB 1.292 43.531 42.059 0.301 0.000 1.253 77 L HN 0.525 nan 8.230 nan 0.000 0.406 78 A N 6.060 129.107 122.820 0.379 0.000 2.330 78 A HA 0.808 5.301 4.320 0.287 0.000 0.327 78 A C -1.262 176.427 177.584 0.174 0.000 1.155 78 A CA -0.546 51.670 52.037 0.300 0.000 0.803 78 A CB 0.794 20.009 19.000 0.359 0.000 1.208 78 A HN 0.715 nan 8.150 nan 0.000 0.477 79 L N 2.638 123.940 121.223 0.130 0.000 2.313 79 L HA 0.528 5.040 4.340 0.287 0.000 0.283 79 L C 0.724 177.539 176.870 -0.093 0.000 1.013 79 L CA -0.603 54.282 54.840 0.075 0.000 0.816 79 L CB 2.039 44.169 42.059 0.119 0.000 1.236 79 L HN 0.922 nan 8.230 nan 0.000 0.419 80 T N -2.248 112.117 114.554 -0.315 0.000 2.912 80 T HA 0.220 4.742 4.350 0.287 0.000 0.280 80 T C -0.105 174.401 174.700 -0.323 0.000 0.989 80 T CA -0.855 60.713 62.100 -0.886 0.000 0.995 80 T CB 1.789 69.756 68.868 -1.503 0.000 1.077 80 T HN 0.486 nan 8.240 nan 0.000 0.531 81 D N 1.744 121.991 120.400 -0.256 0.000 2.493 81 D HA 0.084 4.896 4.640 0.287 0.000 0.240 81 D C -1.222 175.069 176.300 -0.015 0.000 1.142 81 D CA -1.795 52.209 54.000 0.006 0.000 0.872 81 D CB 1.276 42.198 40.800 0.203 0.000 1.173 81 D HN 0.279 nan 8.370 nan 0.000 0.467 82 P HA -0.065 nan 4.420 nan 0.000 0.228 82 P C 0.849 178.201 177.300 0.086 0.000 1.151 82 P CA 0.688 63.883 63.100 0.159 0.000 0.770 82 P CB 0.227 31.997 31.700 0.115 0.000 0.786 83 R N -0.510 120.023 120.500 0.055 0.000 2.275 83 R HA 0.030 4.542 4.340 0.287 0.000 0.199 83 R C 0.299 176.615 176.300 0.026 0.000 0.989 83 R CA 0.470 56.599 56.100 0.049 0.000 1.016 83 R CB -0.091 30.250 30.300 0.068 0.000 0.918 83 R HN 0.072 nan 8.270 nan 0.000 0.473 84 D N 0.185 120.583 120.400 -0.003 0.000 2.441 84 D HA 0.070 4.883 4.640 0.287 0.000 0.287 84 D C 0.284 176.444 176.300 -0.234 0.000 1.198 84 D CA -0.291 53.717 54.000 0.014 0.000 0.894 84 D CB 1.189 42.164 40.800 0.293 0.000 1.070 84 D HN -0.043 nan 8.370 nan 0.000 0.499 85 V N 0.096 119.713 119.914 -0.495 0.000 3.398 85 V HA 0.852 5.145 4.120 0.287 0.000 0.298 85 V C 0.412 175.630 176.094 -1.461 0.000 1.496 85 V CA 0.273 61.928 62.300 -1.075 0.000 1.044 85 V CB -0.101 31.057 31.823 -1.108 0.000 0.880 85 V HN 0.416 nan 8.190 nan 0.000 0.443 86 A N 0.380 122.662 122.820 -0.897 0.000 2.608 86 A HA 0.695 5.187 4.320 0.287 0.000 0.292 86 A C -0.363 177.207 177.584 -0.024 0.000 1.066 86 A CA -0.823 50.950 52.037 -0.441 0.000 0.676 86 A CB 1.182 20.065 19.000 -0.194 0.000 1.277 86 A HN 0.377 nan 8.150 nan 0.000 0.413 87 R N 0.423 121.028 120.500 0.176 0.000 2.583 87 R HA 0.284 4.796 4.340 0.287 0.000 0.274 87 R C -0.823 175.546 176.300 0.114 0.000 0.998 87 R CA 0.457 56.677 56.100 0.201 0.000 1.081 87 R CB 0.120 30.566 30.300 0.242 0.000 0.940 87 R HN 0.694 nan 8.270 nan 0.000 0.413 88 I N 4.080 124.720 120.570 0.118 0.000 2.466 88 I HA 0.084 4.427 4.170 0.287 0.000 0.279 88 I C 0.733 176.899 176.117 0.082 0.000 1.033 88 I CA -0.240 61.110 61.300 0.083 0.000 1.123 88 I CB 1.356 39.407 38.000 0.085 0.000 1.237 88 I HN 0.899 nan 8.210 nan 0.000 0.460 89 E N 3.180 123.405 120.200 0.042 0.000 2.150 89 E HA -0.179 4.343 4.350 0.287 0.000 0.193 89 E C 1.765 178.391 176.600 0.042 0.000 0.985 89 E CA 1.509 57.921 56.400 0.020 0.000 0.814 89 E CB 0.282 29.958 29.700 -0.040 0.000 0.752 89 E HN 0.804 nan 8.360 nan 0.000 0.466 90 S N -0.142 115.586 115.700 0.046 0.000 2.500 90 S HA -0.049 4.594 4.470 0.287 0.000 0.239 90 S C 1.366 176.012 174.600 0.077 0.000 0.989 90 S CA 0.561 58.794 58.200 0.055 0.000 0.951 90 S CB 0.062 63.291 63.200 0.047 0.000 0.759 90 S HN 0.080 nan 8.310 nan 0.000 0.523 91 K N 1.327 121.785 120.400 0.097 0.000 2.414 91 K HA 0.270 4.762 4.320 0.287 0.000 0.204 91 K C -0.448 176.244 176.600 0.153 0.000 1.026 91 K CA 0.078 56.439 56.287 0.124 0.000 1.108 91 K CB 0.817 33.398 32.500 0.135 0.000 0.855 91 K HN 0.297 nan 8.250 nan 0.000 0.517 92 T N 1.741 116.381 114.554 0.144 0.000 2.771 92 T HA 0.442 4.964 4.350 0.287 0.000 0.281 92 T C -0.079 174.724 174.700 0.171 0.000 0.982 92 T CA -0.652 61.563 62.100 0.191 0.000 0.978 92 T CB 1.709 70.689 68.868 0.187 0.000 0.930 92 T HN 0.028 nan 8.240 nan 0.000 0.447 93 V N 1.129 121.172 119.914 0.214 0.000 3.078 93 V HA 0.784 5.076 4.120 0.287 0.000 0.311 93 V C -1.113 175.097 176.094 0.194 0.000 1.138 93 V CA -1.217 61.176 62.300 0.155 0.000 1.007 93 V CB 1.947 33.827 31.823 0.095 0.000 1.045 93 V HN 0.838 nan 8.190 nan 0.000 0.432 94 I N 2.436 123.076 120.570 0.117 0.000 2.465 94 I HA 0.534 4.876 4.170 0.287 0.000 0.291 94 I C -1.293 174.845 176.117 0.034 0.000 1.014 94 I CA -0.623 60.741 61.300 0.106 0.000 1.093 94 I CB 2.130 40.199 38.000 0.113 0.000 1.267 94 I HN 0.500 nan 8.210 nan 0.000 0.431 95 I N 5.342 125.883 120.570 -0.047 0.000 2.339 95 I HA 0.430 4.772 4.170 0.287 0.000 0.290 95 I C 0.189 176.337 176.117 0.051 0.000 0.994 95 I CA 0.099 61.327 61.300 -0.120 0.000 1.191 95 I CB 1.718 39.565 38.000 -0.256 0.000 1.343 95 I HN 0.602 nan 8.210 nan 0.000 0.458 96 T N 1.573 116.277 114.554 0.250 0.000 2.883 96 T HA 0.256 4.778 4.350 0.287 0.000 0.301 96 T C 0.324 175.260 174.700 0.392 0.000 1.158 96 T CA -0.733 61.532 62.100 0.275 0.000 1.007 96 T CB 1.810 70.834 68.868 0.261 0.000 1.186 96 T HN 0.512 nan 8.240 nan 0.000 0.499 97 Q N 0.074 120.009 119.800 0.225 0.000 2.119 97 Q HA -0.056 4.457 4.340 0.287 0.000 0.201 97 Q C -0.198 175.954 176.000 0.253 0.000 0.972 97 Q CA 1.382 57.315 55.803 0.217 0.000 0.847 97 Q CB 0.165 28.968 28.738 0.109 0.000 0.903 97 Q HN 0.652 nan 8.270 nan 0.000 0.433 98 E N 0.886 121.161 120.200 0.125 0.000 2.151 98 E HA 0.063 4.585 4.350 0.287 0.000 0.275 98 E C 0.142 176.529 176.600 -0.355 0.000 0.936 98 E CA -0.231 56.123 56.400 -0.077 0.000 0.777 98 E CB 1.668 31.320 29.700 -0.081 0.000 1.108 98 E HN 0.296 nan 8.360 nan 0.000 0.401 99 Q N 3.560 122.786 119.800 -0.957 0.000 2.135 99 Q HA -0.224 4.288 4.340 0.287 0.000 0.204 99 Q C 1.688 177.300 176.000 -0.646 0.000 0.981 99 Q CA 1.924 56.788 55.803 -1.565 0.000 0.856 99 Q CB 0.119 27.836 28.738 -1.703 0.000 0.902 99 Q HN 0.446 nan 8.270 nan 0.000 0.425 100 R N -0.326 119.937 120.500 -0.395 0.000 2.193 100 R HA -0.117 4.396 4.340 0.287 0.000 0.229 100 R C 1.002 177.227 176.300 -0.125 0.000 1.110 100 R CA 1.520 57.491 56.100 -0.214 0.000 0.988 100 R CB -0.185 30.020 30.300 -0.157 0.000 0.871 100 R HN 0.216 nan 8.270 nan 0.000 0.458 101 D N 0.401 120.737 120.400 -0.107 0.000 2.224 101 D HA -0.058 4.754 4.640 0.287 0.000 0.205 101 D C 1.248 177.579 176.300 0.052 0.000 0.965 101 D CA 1.379 55.374 54.000 -0.008 0.000 0.852 101 D CB 0.092 40.899 40.800 0.011 0.000 0.947 101 D HN 0.280 nan 8.370 nan 0.000 0.494 102 T N -0.323 114.241 114.554 0.017 0.000 2.953 102 T HA 0.102 4.624 4.350 0.287 0.000 0.247 102 T C 0.884 175.602 174.700 0.029 0.000 1.029 102 T CA 0.357 62.511 62.100 0.090 0.000 1.144 102 T CB 0.639 69.637 68.868 0.216 0.000 0.870 102 T HN 0.026 nan 8.240 nan 0.000 0.446 103 V N -0.805 119.084 119.914 -0.041 0.000 2.925 103 V HA 0.652 4.945 4.120 0.287 0.000 0.311 103 V C -3.296 172.740 176.094 -0.096 0.000 1.104 103 V CA -3.380 58.885 62.300 -0.060 0.000 0.954 103 V CB 1.903 33.706 31.823 -0.033 0.000 1.022 103 V HN -0.128 nan 8.190 nan 0.000 0.427 104 P HA 0.221 nan 4.420 nan 0.000 0.267 104 P C -0.448 176.790 177.300 -0.104 0.000 1.200 104 P CA -0.053 62.988 63.100 -0.098 0.000 0.772 104 P CB 0.235 31.879 31.700 -0.094 0.000 0.855 105 I N 4.271 124.777 120.570 -0.106 0.000 2.436 105 I HA 0.167 4.509 4.170 0.287 0.000 0.289 105 I C -2.014 174.051 176.117 -0.087 0.000 1.083 105 I CA -2.602 58.637 61.300 -0.101 0.000 1.372 105 I CB -0.271 37.666 38.000 -0.103 0.000 1.408 105 I HN 0.161 nan 8.210 nan 0.000 0.516 106 P HA 0.194 nan 4.420 nan 0.000 0.274 106 P C 0.783 178.041 177.300 -0.069 0.000 1.237 106 P CA -0.524 62.523 63.100 -0.087 0.000 0.793 106 P CB 1.219 32.868 31.700 -0.084 0.000 0.977 107 K N 1.015 121.373 120.400 -0.070 0.000 2.025 107 K HA -0.115 4.378 4.320 0.287 0.000 0.207 107 K C 1.223 177.798 176.600 -0.041 0.000 1.049 107 K CA 2.283 58.539 56.287 -0.052 0.000 0.933 107 K CB -0.073 32.398 32.500 -0.049 0.000 0.714 107 K HN 0.555 nan 8.250 nan 0.000 0.438 108 S N -2.010 113.664 115.700 -0.044 0.000 2.727 108 S HA 0.265 4.907 4.470 0.287 0.000 0.249 108 S C 0.705 175.288 174.600 -0.028 0.000 1.079 108 S CA -0.207 57.975 58.200 -0.030 0.000 0.912 108 S CB 0.924 64.109 63.200 -0.026 0.000 0.861 108 S HN 0.300 nan 8.310 nan 0.000 0.484 109 G N 0.911 109.689 108.800 -0.037 0.000 2.887 109 G HA2 0.592 4.725 3.960 0.287 0.000 0.277 109 G HA3 0.592 4.725 3.960 0.287 0.000 0.277 109 G C -1.331 173.553 174.900 -0.027 0.000 1.346 109 G CA -0.750 44.334 45.100 -0.028 0.000 1.058 109 G HN 0.273 nan 8.290 nan 0.000 0.535 110 Q N -0.078 119.714 119.800 -0.014 0.000 2.293 110 Q HA 0.472 4.985 4.340 0.287 0.000 0.251 110 Q C 0.446 176.436 176.000 -0.017 0.000 0.930 110 Q CA -0.198 55.603 55.803 -0.004 0.000 0.893 110 Q CB 1.197 29.943 28.738 0.013 0.000 1.215 110 Q HN 0.480 nan 8.270 nan 0.000 0.425 111 S N 2.607 118.298 115.700 -0.015 0.000 2.549 111 S HA 0.034 4.677 4.470 0.287 0.000 0.286 111 S C -0.043 174.551 174.600 -0.010 0.000 1.314 111 S CA -0.174 58.007 58.200 -0.031 0.000 1.062 111 S CB 0.325 63.511 63.200 -0.023 0.000 0.865 111 S HN 0.679 nan 8.310 nan 0.000 0.498 112 Q N 4.130 123.918 119.800 -0.020 0.000 2.189 112 Q HA 0.284 4.797 4.340 0.287 0.000 0.221 112 Q C 0.345 176.350 176.000 0.008 0.000 0.848 112 Q CA 0.094 55.904 55.803 0.011 0.000 1.007 112 Q CB 0.271 29.035 28.738 0.044 0.000 1.116 112 Q HN 0.691 nan 8.270 nan 0.000 0.481 113 L N -0.630 120.585 121.223 -0.014 0.000 2.769 113 L HA 0.422 4.934 4.340 0.287 0.000 0.240 113 L C 0.626 177.526 176.870 0.049 0.000 1.163 113 L CA -0.184 54.654 54.840 -0.004 0.000 0.962 113 L CB 0.727 42.711 42.059 -0.125 0.000 1.258 113 L HN 0.174 nan 8.230 nan 0.000 0.513 114 G N 0.064 108.888 108.800 0.039 0.000 2.337 114 G HA2 0.234 4.366 3.960 0.287 0.000 0.298 114 G HA3 0.234 4.366 3.960 0.287 0.000 0.298 114 G C -1.613 173.334 174.900 0.077 0.000 1.335 114 G CA -0.880 44.256 45.100 0.060 0.000 0.875 114 G HN -0.048 nan 8.290 nan 0.000 0.579 115 R N -0.249 120.317 120.500 0.109 0.000 2.625 115 R HA 0.328 4.840 4.340 0.287 0.000 0.286 115 R C -1.235 175.183 176.300 0.198 0.000 1.406 115 R CA -0.721 55.460 56.100 0.135 0.000 1.052 115 R CB 0.977 31.335 30.300 0.097 0.000 1.203 115 R HN 0.625 nan 8.270 nan 0.000 0.502 116 W N 6.028 127.348 121.300 0.034 0.000 2.218 116 W HA 0.336 5.165 4.660 0.281 0.000 0.326 116 W C -0.838 175.713 176.519 0.053 0.000 1.276 116 W CA -0.347 57.021 57.345 0.037 0.000 1.210 116 W CB 0.849 30.324 29.460 0.026 0.000 1.143 116 W HN 0.395 nan 8.180 nan 0.000 0.563 117 M N 6.339 125.512 119.600 -0.713 0.000 2.393 117 M HA 0.329 4.982 4.480 0.287 0.000 0.299 117 M C -0.141 175.391 176.300 -1.280 0.000 1.103 117 M CA -0.571 54.269 55.300 -0.767 0.000 0.910 117 M CB 1.589 34.038 32.600 -0.252 0.000 1.659 117 M HN 0.553 nan 8.290 nan 0.000 0.445 118 S N 2.841 117.806 115.700 -1.224 0.000 2.593 118 S HA 0.197 4.839 4.470 0.287 0.000 0.269 118 S C 0.714 175.150 174.600 -0.273 0.000 1.334 118 S CA -0.435 57.288 58.200 -0.794 0.000 1.015 118 S CB 0.863 63.812 63.200 -0.419 0.000 0.912 118 S HN 0.799 nan 8.310 nan 0.000 0.541 119 E N 1.601 121.743 120.200 -0.098 0.000 2.097 119 E HA -0.202 4.320 4.350 0.287 0.000 0.196 119 E C 2.178 178.799 176.600 0.036 0.000 1.000 119 E CA 1.764 58.171 56.400 0.011 0.000 0.804 119 E CB -0.368 29.350 29.700 0.031 0.000 0.740 119 E HN 0.950 nan 8.360 nan 0.000 0.454 120 E N 1.159 121.360 120.200 0.002 0.000 2.107 120 E HA -0.183 4.339 4.350 0.287 0.000 0.191 120 E C 1.266 177.859 176.600 -0.010 0.000 0.982 120 E CA 1.032 57.433 56.400 0.002 0.000 0.809 120 E CB -0.264 29.439 29.700 0.006 0.000 0.756 120 E HN 0.139 nan 8.360 nan 0.000 0.459 121 D N 0.553 120.935 120.400 -0.030 0.000 2.144 121 D HA -0.109 4.704 4.640 0.287 0.000 0.200 121 D C 1.732 178.037 176.300 0.008 0.000 0.978 121 D CA 0.769 54.753 54.000 -0.028 0.000 0.833 121 D CB -0.552 40.209 40.800 -0.065 0.000 0.961 121 D HN 0.189 nan 8.370 nan 0.000 0.470 122 F N 1.937 121.836 119.950 -0.085 0.000 2.171 122 F HA -0.117 4.589 4.527 0.298 0.000 0.300 122 F C 2.263 178.077 175.800 0.023 0.000 1.090 122 F CA 1.341 59.320 58.000 -0.036 0.000 1.293 122 F CB -0.116 38.843 39.000 -0.069 0.000 1.013 122 F HN -0.100 nan 8.300 nan 0.000 0.486 123 E N 0.373 120.508 120.200 -0.108 0.000 2.085 123 E HA -0.267 4.256 4.350 0.287 0.000 0.194 123 E C 2.110 178.635 176.600 -0.125 0.000 0.994 123 E CA 1.680 57.994 56.400 -0.143 0.000 0.801 123 E CB -0.095 29.581 29.700 -0.040 0.000 0.743 123 E HN 0.453 nan 8.360 nan 0.000 0.453 124 K N 0.224 120.566 120.400 -0.096 0.000 2.026 124 K HA -0.120 4.373 4.320 0.287 0.000 0.208 124 K C 2.214 178.739 176.600 -0.125 0.000 1.048 124 K CA 1.243 57.482 56.287 -0.081 0.000 0.929 124 K CB -0.196 32.272 32.500 -0.052 0.000 0.713 124 K HN 0.153 nan 8.250 nan 0.000 0.439 125 A N 1.051 123.769 122.820 -0.169 0.000 1.902 125 A HA -0.172 4.320 4.320 0.287 0.000 0.217 125 A C 2.037 179.469 177.584 -0.253 0.000 1.181 125 A CA 1.196 53.123 52.037 -0.183 0.000 0.623 125 A CB -0.703 18.228 19.000 -0.114 0.000 0.818 125 A HN 0.359 nan 8.150 nan 0.000 0.443 126 F N 1.457 121.055 119.950 -0.586 0.000 2.102 126 F HA -0.177 4.520 4.527 0.283 0.000 0.298 126 F C 1.821 177.508 175.800 -0.189 0.000 1.105 126 F CA 2.026 59.763 58.000 -0.437 0.000 1.239 126 F CB -0.164 38.400 39.000 -0.727 0.000 0.991 126 F HN 0.206 nan 8.300 nan 0.000 0.474 127 N N 0.462 119.108 118.700 -0.090 0.000 2.459 127 N HA -0.014 4.899 4.740 0.287 0.000 0.181 127 N C 1.620 177.020 175.510 -0.184 0.000 1.046 127 N CA 0.987 53.967 53.050 -0.116 0.000 0.904 127 N CB -0.420 38.056 38.487 -0.019 0.000 0.964 127 N HN 0.403 nan 8.380 nan 0.000 0.444 128 A N -0.003 122.686 122.820 -0.218 0.000 2.218 128 A HA 0.145 4.637 4.320 0.287 0.000 0.209 128 A C 2.051 179.426 177.584 -0.349 0.000 1.168 128 A CA 0.447 52.351 52.037 -0.221 0.000 0.804 128 A CB 0.193 19.090 19.000 -0.171 0.000 0.834 128 A HN 0.134 nan 8.150 nan 0.000 0.482 129 R N -2.708 117.461 120.500 -0.552 0.000 2.342 129 R HA 0.315 4.827 4.340 0.287 0.000 0.179 129 R C 1.327 177.080 176.300 -0.911 0.000 0.989 129 R CA 0.491 55.935 56.100 -1.094 0.000 1.125 129 R CB -0.201 29.023 30.300 -1.793 0.000 1.211 129 R HN 0.386 nan 8.270 nan 0.000 0.568 130 F N 1.657 121.161 119.950 -0.744 0.000 2.293 130 F HA 0.125 4.822 4.527 0.282 0.000 0.297 130 F C -1.388 174.236 175.800 -0.293 0.000 1.089 130 F CA -0.319 57.387 58.000 -0.490 0.000 1.377 130 F CB -0.758 37.746 39.000 -0.828 0.000 1.051 130 F HN -0.185 nan 8.300 nan 0.000 0.511 131 P HA 0.088 nan 4.420 nan 0.000 0.260 131 P C 0.647 177.925 177.300 -0.037 0.000 1.185 131 P CA 1.485 64.547 63.100 -0.062 0.000 0.763 131 P CB 0.182 31.840 31.700 -0.070 0.000 0.776 132 G N 2.975 111.774 108.800 -0.003 0.000 2.168 132 G HA2 -0.381 3.752 3.960 0.287 0.000 0.263 132 G HA3 -0.381 3.752 3.960 0.287 0.000 0.263 132 G C 1.077 175.978 174.900 0.002 0.000 0.977 132 G CA 0.299 45.400 45.100 0.002 0.000 0.659 132 G HN 0.685 nan 8.290 nan 0.000 0.533 133 C N -1.366 117.940 119.300 0.011 0.000 2.456 133 C HA 0.542 5.174 4.460 0.287 0.000 0.279 133 C C 2.283 177.264 174.990 -0.015 0.000 1.427 133 C CA 1.150 60.173 59.018 0.009 0.000 1.778 133 C CB -0.653 27.121 27.740 0.057 0.000 1.842 133 C HN 0.470 nan 8.230 nan 0.000 0.531 134 M N 0.295 119.897 119.600 0.003 0.000 2.419 134 M HA 0.204 4.856 4.480 0.287 0.000 0.252 134 M C 0.421 176.720 176.300 -0.001 0.000 1.143 134 M CA -0.143 55.155 55.300 -0.003 0.000 0.985 134 M CB -0.104 32.502 32.600 0.009 0.000 1.489 134 M HN 0.080 nan 8.290 nan 0.000 0.484 135 K N 1.185 121.584 120.400 -0.003 0.000 2.472 135 K HA 0.146 4.639 4.320 0.287 0.000 0.280 135 K C 1.104 177.698 176.600 -0.010 0.000 1.028 135 K CA 1.496 57.778 56.287 -0.007 0.000 1.045 135 K CB 0.035 32.530 32.500 -0.008 0.000 0.902 135 K HN 0.435 nan 8.250 nan 0.000 0.478 136 G N 3.192 111.978 108.800 -0.024 0.000 2.176 136 G HA2 -0.284 3.848 3.960 0.287 0.000 0.253 136 G HA3 -0.284 3.848 3.960 0.287 0.000 0.253 136 G C -0.018 174.911 174.900 0.049 0.000 0.979 136 G CA 0.344 45.441 45.100 -0.005 0.000 0.641 136 G HN 0.590 nan 8.290 nan 0.000 0.530 137 R N -0.428 120.098 120.500 0.044 0.000 2.902 137 R HA 0.640 5.152 4.340 0.287 0.000 0.258 137 R C -0.570 175.802 176.300 0.120 0.000 1.071 137 R CA -0.517 55.644 56.100 0.102 0.000 1.024 137 R CB 0.990 31.325 30.300 0.059 0.000 1.184 137 R HN 0.107 nan 8.270 nan 0.000 0.492 138 T N 2.078 116.699 114.554 0.111 0.000 2.817 138 T HA 0.206 4.729 4.350 0.287 0.000 0.293 138 T C 0.070 174.670 174.700 -0.167 0.000 0.964 138 T CA -0.247 61.815 62.100 -0.063 0.000 1.085 138 T CB 0.635 69.282 68.868 -0.368 0.000 0.921 138 T HN 0.323 nan 8.240 nan 0.000 0.502 139 M N 4.928 124.451 119.600 -0.129 0.000 2.108 139 M HA 0.338 4.990 4.480 0.287 0.000 0.347 139 M C -1.441 174.776 176.300 -0.138 0.000 1.326 139 M CA -0.552 54.702 55.300 -0.078 0.000 1.126 139 M CB 0.092 32.660 32.600 -0.054 0.000 1.606 139 M HN 0.573 nan 8.290 nan 0.000 0.462 140 Y N 3.609 123.963 120.300 0.090 0.000 2.299 140 Y HA 0.407 5.129 4.550 0.287 0.000 0.326 140 Y C -0.024 175.941 175.900 0.108 0.000 1.164 140 Y CA -0.519 57.646 58.100 0.108 0.000 1.234 140 Y CB 1.111 39.598 38.460 0.045 0.000 1.219 140 Y HN 0.360 nan 8.280 nan 0.000 0.497 141 V N 5.601 125.676 119.914 0.268 0.000 2.334 141 V HA 0.333 4.625 4.120 0.287 0.000 0.281 141 V C -0.278 175.948 176.094 0.220 0.000 1.016 141 V CA -0.787 61.629 62.300 0.194 0.000 0.832 141 V CB 0.821 32.713 31.823 0.115 0.000 0.999 141 V HN 0.560 nan 8.190 nan 0.000 0.439 142 I N 7.683 128.395 120.570 0.237 0.000 2.359 142 I HA 0.385 4.727 4.170 0.287 0.000 0.284 142 I C -2.576 173.727 176.117 0.310 0.000 1.018 142 I CA -1.899 59.544 61.300 0.238 0.000 1.173 142 I CB 2.084 40.198 38.000 0.190 0.000 1.326 142 I HN 0.406 nan 8.210 nan 0.000 0.462 143 P HA 0.352 nan 4.420 nan 0.000 0.297 143 P C -1.101 176.321 177.300 0.204 0.000 1.331 143 P CA -0.291 62.886 63.100 0.128 0.000 0.803 143 P CB 0.504 32.221 31.700 0.029 0.000 0.929 144 F N -0.230 119.753 119.950 0.055 0.000 2.599 144 F HA 0.778 5.461 4.527 0.260 0.000 0.311 144 F C -0.708 175.122 175.800 0.050 0.000 1.076 144 F CA -1.375 56.644 58.000 0.031 0.000 0.937 144 F CB 1.363 40.372 39.000 0.017 0.000 1.282 144 F HN 0.131 nan 8.300 nan 0.000 0.460 145 S N 3.301 119.062 115.700 0.101 0.000 2.451 145 S HA 0.663 5.305 4.470 0.287 0.000 0.301 145 S C -0.646 173.973 174.600 0.032 0.000 1.116 145 S CA -0.786 57.425 58.200 0.018 0.000 1.093 145 S CB 0.602 63.797 63.200 -0.008 0.000 1.017 145 S HN 0.602 nan 8.310 nan 0.000 0.482 146 M N 4.229 123.799 119.600 -0.049 0.000 2.077 146 M HA 0.472 5.125 4.480 0.287 0.000 0.348 146 M C 0.731 176.863 176.300 -0.279 0.000 1.252 146 M CA 0.112 55.254 55.300 -0.263 0.000 1.096 146 M CB -0.357 31.928 32.600 -0.526 0.000 1.568 146 M HN 1.019 nan 8.290 nan 0.000 0.456 147 G N 5.690 114.305 108.800 -0.308 0.000 2.619 147 G HA2 -0.042 4.090 3.960 0.287 0.000 0.686 147 G HA3 -0.042 4.090 3.960 0.287 0.000 0.686 147 G C -3.351 171.441 174.900 -0.180 0.000 1.256 147 G CA -1.411 43.543 45.100 -0.243 0.000 0.826 147 G HN 0.386 nan 8.290 nan 0.000 0.619 148 P HA 0.282 nan 4.420 nan 0.000 0.265 148 P C 0.362 177.585 177.300 -0.129 0.000 1.193 148 P CA -0.433 62.544 63.100 -0.204 0.000 0.765 148 P CB 0.591 32.146 31.700 -0.242 0.000 0.823 149 L N 4.094 125.253 121.223 -0.107 0.000 2.638 149 L HA 0.253 4.765 4.340 0.287 0.000 0.273 149 L C 1.398 178.230 176.870 -0.064 0.000 1.147 149 L CA 1.712 56.511 54.840 -0.069 0.000 0.941 149 L CB -1.381 40.644 42.059 -0.057 0.000 1.251 149 L HN 0.796 nan 8.230 nan 0.000 0.479 150 G N 2.311 111.080 108.800 -0.051 0.000 2.278 150 G HA2 -0.249 3.883 3.960 0.287 0.000 0.210 150 G HA3 -0.249 3.883 3.960 0.287 0.000 0.210 150 G C 0.527 175.394 174.900 -0.055 0.000 1.000 150 G CA 0.148 45.219 45.100 -0.047 0.000 0.635 150 G HN 0.930 nan 8.290 nan 0.000 0.495 151 S N 1.728 117.386 115.700 -0.070 0.000 2.571 151 S HA 0.265 4.907 4.470 0.287 0.000 0.298 151 S C -0.181 174.379 174.600 -0.066 0.000 1.280 151 S CA 0.519 58.674 58.200 -0.076 0.000 1.052 151 S CB 0.977 64.124 63.200 -0.087 0.000 0.799 151 S HN 0.138 nan 8.310 nan 0.000 0.501 152 P HA -0.022 nan 4.420 nan 0.000 0.219 152 P C 0.884 178.105 177.300 -0.132 0.000 1.146 152 P CA 1.025 64.072 63.100 -0.089 0.000 0.808 152 P CB 0.085 31.734 31.700 -0.085 0.000 0.779 153 L N -2.435 118.711 121.223 -0.128 0.000 2.567 153 L HA 0.212 4.724 4.340 0.287 0.000 0.225 153 L C 1.099 177.964 176.870 -0.008 0.000 1.119 153 L CA -0.360 54.372 54.840 -0.180 0.000 0.871 153 L CB -0.484 41.501 42.059 -0.124 0.000 1.036 153 L HN -0.098 nan 8.230 nan 0.000 0.459 154 A N 0.791 123.631 122.820 0.033 0.000 2.351 154 A HA 0.492 4.984 4.320 0.287 0.000 0.257 154 A C -0.063 177.639 177.584 0.195 0.000 1.087 154 A CA -0.107 52.016 52.037 0.143 0.000 0.798 154 A CB 0.545 19.559 19.000 0.024 0.000 1.033 154 A HN 0.018 nan 8.150 nan 0.000 0.488 155 K N 1.148 121.755 120.400 0.345 0.000 2.426 155 K HA 0.578 5.071 4.320 0.287 0.000 0.251 155 K C -1.307 175.494 176.600 0.335 0.000 0.941 155 K CA -0.289 56.224 56.287 0.378 0.000 0.808 155 K CB 2.146 35.040 32.500 0.657 0.000 1.265 155 K HN 0.641 nan 8.250 nan 0.000 0.432 156 I N 0.696 121.403 120.570 0.228 0.000 2.460 156 I HA 0.470 4.813 4.170 0.287 0.000 0.298 156 I C 0.591 176.723 176.117 0.026 0.000 0.989 156 I CA -0.563 60.767 61.300 0.050 0.000 1.173 156 I CB 2.096 40.098 38.000 0.004 0.000 1.338 156 I HN 0.642 nan 8.210 nan 0.000 0.456 157 G N 5.860 114.397 108.800 -0.437 0.000 2.569 157 G HA2 0.732 4.864 3.960 0.287 0.000 0.300 157 G HA3 0.732 4.864 3.960 0.287 0.000 0.300 157 G C -1.138 173.460 174.900 -0.503 0.000 1.269 157 G CA -0.414 44.375 45.100 -0.518 0.000 0.959 157 G HN 0.314 nan 8.290 nan 0.000 0.478 158 I N 0.843 121.429 120.570 0.027 0.000 2.439 158 I HA 0.336 4.678 4.170 0.287 0.000 0.285 158 I C -0.457 175.994 176.117 0.556 0.000 1.021 158 I CA -0.622 60.819 61.300 0.234 0.000 1.091 158 I CB 1.599 39.688 38.000 0.149 0.000 1.242 158 I HN 0.635 nan 8.210 nan 0.000 0.439 159 E N 7.240 127.814 120.200 0.623 0.000 2.151 159 E HA 0.545 5.068 4.350 0.287 0.000 0.275 159 E C -1.369 175.445 176.600 0.356 0.000 0.936 159 E CA -0.602 56.103 56.400 0.508 0.000 0.777 159 E CB 1.375 31.293 29.700 0.363 0.000 1.108 159 E HN 0.497 nan 8.360 nan 0.000 0.401 160 L N 3.796 125.206 121.223 0.312 0.000 2.289 160 L HA 0.495 5.008 4.340 0.287 0.000 0.285 160 L C 0.253 177.268 176.870 0.243 0.000 1.049 160 L CA -0.485 54.464 54.840 0.182 0.000 0.804 160 L CB 1.645 43.701 42.059 -0.006 0.000 1.195 160 L HN 0.526 nan 8.230 nan 0.000 0.428 161 T N -0.629 114.080 114.554 0.259 0.000 2.894 161 T HA 0.269 4.792 4.350 0.287 0.000 0.309 161 T C -0.476 174.402 174.700 0.296 0.000 1.208 161 T CA -0.609 61.682 62.100 0.319 0.000 1.016 161 T CB 1.596 70.680 68.868 0.361 0.000 1.192 161 T HN 0.735 nan 8.240 nan 0.000 0.491 162 D N 1.012 121.543 120.400 0.218 0.000 2.363 162 D HA 0.222 5.034 4.640 0.287 0.000 0.214 162 D C 0.405 176.835 176.300 0.218 0.000 1.093 162 D CA -0.161 53.957 54.000 0.197 0.000 0.837 162 D CB 0.269 41.102 40.800 0.055 0.000 0.948 162 D HN 0.247 nan 8.370 nan 0.000 0.507 163 S N 1.175 116.995 115.700 0.199 0.000 2.474 163 S HA 0.354 4.996 4.470 0.287 0.000 0.321 163 S C -1.801 172.749 174.600 -0.083 0.000 1.080 163 S CA -1.513 56.726 58.200 0.066 0.000 1.106 163 S CB 1.553 64.801 63.200 0.080 0.000 0.984 163 S HN -0.176 nan 8.310 nan 0.000 0.464 164 P HA -0.094 nan 4.420 nan 0.000 0.223 164 P C 1.076 178.245 177.300 -0.218 0.000 1.151 164 P CA 0.709 63.558 63.100 -0.418 0.000 0.787 164 P CB -0.109 31.447 31.700 -0.240 0.000 0.788 165 Y N 1.310 121.491 120.300 -0.199 0.000 2.181 165 Y HA -0.199 4.521 4.550 0.283 0.000 0.288 165 Y C 2.179 177.994 175.900 -0.142 0.000 1.146 165 Y CA 1.407 59.434 58.100 -0.121 0.000 1.164 165 Y CB -0.988 37.431 38.460 -0.069 0.000 0.982 165 Y HN -0.305 nan 8.280 nan 0.000 0.515 166 V N -0.696 119.160 119.914 -0.097 0.000 2.343 166 V HA -0.324 3.968 4.120 0.287 0.000 0.247 166 V C 2.358 178.283 176.094 -0.281 0.000 1.051 166 V CA 1.750 63.921 62.300 -0.215 0.000 1.036 166 V CB -0.853 30.882 31.823 -0.147 0.000 0.654 166 V HN 0.385 nan 8.190 nan 0.000 0.451 167 V N 0.289 120.033 119.914 -0.282 0.000 2.295 167 V HA -0.281 4.011 4.120 0.287 0.000 0.246 167 V C 2.716 178.664 176.094 -0.243 0.000 1.049 167 V CA 2.170 64.303 62.300 -0.278 0.000 1.024 167 V CB -1.176 30.383 31.823 -0.441 0.000 0.648 167 V HN 0.568 nan 8.190 nan 0.000 0.447 168 A N -0.463 122.217 122.820 -0.232 0.000 1.902 168 A HA -0.211 4.282 4.320 0.287 0.000 0.217 168 A C 2.473 179.941 177.584 -0.193 0.000 1.181 168 A CA 2.319 54.301 52.037 -0.091 0.000 0.623 168 A CB -0.692 18.259 19.000 -0.081 0.000 0.818 168 A HN 0.520 nan 8.150 nan 0.000 0.443 169 S N -0.449 115.035 115.700 -0.360 0.000 2.368 169 S HA -0.096 4.547 4.470 0.287 0.000 0.224 169 S C 1.968 176.367 174.600 -0.334 0.000 1.029 169 S CA 1.487 59.455 58.200 -0.385 0.000 0.988 169 S CB -0.286 62.557 63.200 -0.596 0.000 0.838 169 S HN 0.477 nan 8.310 nan 0.000 0.462 170 M N 0.984 120.383 119.600 -0.335 0.000 2.296 170 M HA 0.015 4.667 4.480 0.287 0.000 0.265 170 M C 2.159 178.300 176.300 -0.266 0.000 1.064 170 M CA 1.008 56.110 55.300 -0.330 0.000 1.109 170 M CB -0.934 31.461 32.600 -0.341 0.000 1.396 170 M HN 0.273 nan 8.290 nan 0.000 0.430 171 R N 0.554 120.900 120.500 -0.256 0.000 2.115 171 R HA -0.074 4.438 4.340 0.287 0.000 0.230 171 R C 1.925 178.065 176.300 -0.266 0.000 1.111 171 R CA 1.087 57.025 56.100 -0.271 0.000 0.976 171 R CB -0.057 29.990 30.300 -0.423 0.000 0.870 171 R HN 0.320 nan 8.270 nan 0.000 0.445 172 I N -0.023 120.396 120.570 -0.252 0.000 2.277 172 I HA -0.197 4.145 4.170 0.287 0.000 0.243 172 I C 1.934 177.941 176.117 -0.183 0.000 1.094 172 I CA 0.740 61.923 61.300 -0.194 0.000 1.393 172 I CB -0.055 37.862 38.000 -0.138 0.000 1.078 172 I HN 0.148 nan 8.210 nan 0.000 0.417 173 M N 0.293 119.765 119.600 -0.212 0.000 2.558 173 M HA 0.074 4.726 4.480 0.287 0.000 0.255 173 M C 0.971 177.150 176.300 -0.202 0.000 1.113 173 M CA 0.730 55.901 55.300 -0.215 0.000 1.097 173 M CB -1.108 31.332 32.600 -0.268 0.000 1.426 173 M HN 0.345 nan 8.290 nan 0.000 0.488 174 T N -1.486 112.955 114.554 -0.187 0.000 2.864 174 T HA 0.631 5.153 4.350 0.287 0.000 0.289 174 T C -0.390 174.271 174.700 -0.064 0.000 1.082 174 T CA -0.999 61.028 62.100 -0.121 0.000 1.009 174 T CB 2.229 71.021 68.868 -0.127 0.000 1.234 174 T HN 0.110 nan 8.240 nan 0.000 0.526 175 R N 0.980 121.475 120.500 -0.009 0.000 2.207 175 R HA 0.638 5.150 4.340 0.287 0.000 0.334 175 R C -0.242 176.083 176.300 0.042 0.000 1.013 175 R CA -0.527 55.567 56.100 -0.009 0.000 0.858 175 R CB 0.862 31.148 30.300 -0.024 0.000 1.094 175 R HN 0.783 nan 8.270 nan 0.000 0.457 176 M N 0.553 120.164 119.600 0.018 0.000 2.550 176 M HA 0.850 5.502 4.480 0.287 0.000 0.292 176 M C -0.142 176.176 176.300 0.030 0.000 1.221 176 M CA -0.287 55.051 55.300 0.064 0.000 0.873 176 M CB 2.507 35.157 32.600 0.083 0.000 1.727 176 M HN 0.559 nan 8.290 nan 0.000 0.459 177 G N 0.455 109.286 108.800 0.051 0.000 2.270 177 G HA2 0.047 4.179 3.960 0.287 0.000 0.268 177 G HA3 0.047 4.179 3.960 0.287 0.000 0.268 177 G C -0.082 174.834 174.900 0.028 0.000 1.312 177 G CA -0.144 44.980 45.100 0.040 0.000 1.050 177 G HN 0.860 nan 8.290 nan 0.000 0.474 178 T N 1.122 115.687 114.554 0.019 0.000 2.821 178 T HA -0.044 4.478 4.350 0.287 0.000 0.267 178 T C 2.845 177.545 174.700 0.000 0.000 1.046 178 T CA 2.811 64.916 62.100 0.009 0.000 1.139 178 T CB -0.550 68.323 68.868 0.008 0.000 0.871 178 T HN 1.352 nan 8.240 nan 0.000 0.454 179 S N 1.307 117.007 115.700 -0.001 0.000 2.419 179 S HA -0.087 4.556 4.470 0.287 0.000 0.235 179 S C 2.083 176.676 174.600 -0.011 0.000 1.019 179 S CA 0.783 58.978 58.200 -0.007 0.000 0.982 179 S CB -0.835 62.359 63.200 -0.010 0.000 0.789 179 S HN 0.320 nan 8.310 nan 0.000 0.490 180 V N 1.874 121.784 119.914 -0.008 0.000 2.379 180 V HA -0.018 4.275 4.120 0.287 0.000 0.245 180 V C 2.491 178.568 176.094 -0.029 0.000 1.044 180 V CA 1.404 63.695 62.300 -0.015 0.000 1.036 180 V CB -0.793 31.029 31.823 -0.002 0.000 0.664 180 V HN 0.441 nan 8.190 nan 0.000 0.453 181 L N -0.158 121.048 121.223 -0.030 0.000 2.079 181 L HA -0.214 4.299 4.340 0.287 0.000 0.210 181 L C 2.577 179.427 176.870 -0.032 0.000 1.081 181 L CA 1.736 56.549 54.840 -0.045 0.000 0.752 181 L CB -0.607 41.430 42.059 -0.037 0.000 0.896 181 L HN 0.408 nan 8.230 nan 0.000 0.433 182 E N 0.024 120.212 120.200 -0.020 0.000 2.106 182 E HA -0.190 4.332 4.350 0.287 0.000 0.192 182 E C 2.295 178.886 176.600 -0.015 0.000 0.984 182 E CA 1.100 57.491 56.400 -0.015 0.000 0.806 182 E CB -0.164 29.529 29.700 -0.011 0.000 0.750 182 E HN 0.507 nan 8.360 nan 0.000 0.458 183 A N 1.082 123.891 122.820 -0.017 0.000 1.968 183 A HA -0.113 4.379 4.320 0.287 0.000 0.217 183 A C 2.121 179.698 177.584 -0.010 0.000 1.169 183 A CA 0.721 52.749 52.037 -0.015 0.000 0.638 183 A CB -0.328 18.661 19.000 -0.018 0.000 0.812 183 A HN 0.202 nan 8.150 nan 0.000 0.446 184 L N -0.714 120.499 121.223 -0.016 0.000 2.027 184 L HA 0.197 4.709 4.340 0.287 0.000 0.206 184 L C 1.703 178.576 176.870 0.005 0.000 1.074 184 L CA 1.903 56.739 54.840 -0.007 0.000 0.745 184 L CB -1.174 40.859 42.059 -0.042 0.000 0.898 184 L HN 0.707 nan 8.230 nan 0.000 0.433 185 G N -0.583 108.214 108.800 -0.005 0.000 2.596 185 G HA2 -0.394 3.738 3.960 0.287 0.000 0.295 185 G HA3 -0.394 3.738 3.960 0.287 0.000 0.295 185 G C 0.384 175.298 174.900 0.023 0.000 1.240 185 G CA 0.424 45.527 45.100 0.005 0.000 0.985 185 G HN 0.382 nan 8.290 nan 0.000 0.555 186 D N 2.372 122.791 120.400 0.032 0.000 2.434 186 D HA 0.377 5.189 4.640 0.287 0.000 0.232 186 D C 1.339 177.678 176.300 0.064 0.000 1.166 186 D CA 0.914 54.945 54.000 0.052 0.000 0.830 186 D CB -0.417 40.404 40.800 0.036 0.000 0.960 186 D HN 0.693 nan 8.370 nan 0.000 0.497 187 G N 0.091 108.933 108.800 0.069 0.000 2.616 187 G HA2 0.148 4.280 3.960 0.287 0.000 0.268 187 G HA3 0.148 4.280 3.960 0.287 0.000 0.268 187 G C 0.245 175.217 174.900 0.119 0.000 1.213 187 G CA -0.496 44.646 45.100 0.069 0.000 0.926 187 G HN 0.026 nan 8.290 nan 0.000 0.523 188 E N -0.939 119.293 120.200 0.053 0.000 2.373 188 E HA 0.446 4.968 4.350 0.287 0.000 0.263 188 E C -0.818 175.829 176.600 0.078 0.000 1.073 188 E CA 0.125 56.512 56.400 -0.021 0.000 0.894 188 E CB 1.125 30.771 29.700 -0.090 0.000 1.008 188 E HN 0.383 nan 8.360 nan 0.000 0.420 189 F N -1.028 118.842 119.950 -0.133 0.000 2.645 189 F HA 0.456 5.151 4.527 0.280 0.000 0.310 189 F C -1.147 174.495 175.800 -0.262 0.000 1.102 189 F CA -1.486 56.411 58.000 -0.172 0.000 0.952 189 F CB 0.578 39.482 39.000 -0.160 0.000 1.326 189 F HN 0.090 nan 8.300 nan 0.000 0.456 190 I N 2.536 122.984 120.570 -0.204 0.000 2.416 190 I HA 0.210 4.553 4.170 0.287 0.000 0.288 190 I C -0.039 175.960 176.117 -0.195 0.000 1.051 190 I CA -0.571 60.497 61.300 -0.387 0.000 1.375 190 I CB 0.870 38.403 38.000 -0.779 0.000 1.407 190 I HN 0.636 nan 8.210 nan 0.000 0.516 191 K N 5.574 125.757 120.400 -0.362 0.000 2.284 191 K HA 0.343 4.835 4.320 0.287 0.000 0.287 191 K C -0.942 175.631 176.600 -0.046 0.000 1.081 191 K CA -0.206 55.783 56.287 -0.496 0.000 0.910 191 K CB 0.589 32.563 32.500 -0.878 0.000 1.088 191 K HN 0.552 nan 8.250 nan 0.000 0.478 192 C N 4.614 124.099 119.300 0.309 0.000 2.301 192 C HA 0.407 5.040 4.460 0.287 0.000 0.323 192 C C -0.679 174.608 174.990 0.496 0.000 1.265 192 C CA -1.053 58.198 59.018 0.388 0.000 1.503 192 C CB -0.177 27.840 27.740 0.462 0.000 2.195 192 C HN 0.672 nan 8.230 nan 0.000 0.477 193 L N 4.829 126.290 121.223 0.397 0.000 2.333 193 L HA 0.625 5.138 4.340 0.287 0.000 0.280 193 L C -0.503 176.611 176.870 0.407 0.000 1.004 193 L CA 0.229 55.275 54.840 0.343 0.000 0.820 193 L CB 0.685 42.874 42.059 0.218 0.000 1.247 193 L HN 0.806 nan 8.230 nan 0.000 0.416 194 H N 3.424 122.681 119.070 0.311 0.000 2.759 194 H HA 0.584 5.315 4.556 0.292 0.000 0.354 194 H C -1.881 173.612 175.328 0.274 0.000 1.074 194 H CA -0.355 55.874 56.048 0.301 0.000 1.226 194 H CB 1.997 31.871 29.762 0.186 0.000 1.648 194 H HN 0.690 nan 8.280 nan 0.000 0.529 195 S N 3.292 118.695 115.700 -0.495 0.000 2.549 195 S HA 0.230 4.872 4.470 0.287 0.000 0.280 195 S C 1.135 175.174 174.600 -0.936 0.000 1.109 195 S CA -0.239 57.596 58.200 -0.609 0.000 0.905 195 S CB 1.298 64.327 63.200 -0.286 0.000 1.081 195 S HN 0.548 nan 8.310 nan 0.000 0.477 196 V N 1.856 121.368 119.914 -0.670 0.000 2.970 196 V HA 0.325 4.617 4.120 0.287 0.000 0.260 196 V C 1.472 177.150 176.094 -0.693 0.000 1.100 196 V CA 1.130 63.113 62.300 -0.529 0.000 1.122 196 V CB -1.445 30.171 31.823 -0.345 0.000 0.721 196 V HN 1.846 nan 8.190 nan 0.000 0.483 197 G N -0.715 107.566 108.800 -0.866 0.000 2.171 197 G HA2 -0.224 3.909 3.960 0.287 0.000 0.238 197 G HA3 -0.224 3.909 3.960 0.287 0.000 0.238 197 G C -0.035 174.639 174.900 -0.377 0.000 1.039 197 G CA -0.066 44.413 45.100 -1.035 0.000 0.759 197 G HN 0.843 nan 8.290 nan 0.000 0.501 198 C N 1.940 121.090 119.300 -0.251 0.000 3.401 198 C HA 0.409 5.042 4.460 0.287 0.000 0.204 198 C C -1.259 173.680 174.990 -0.086 0.000 1.522 198 C CA -1.353 57.586 59.018 -0.132 0.000 1.409 198 C CB 0.365 28.029 27.740 -0.127 0.000 1.967 198 C HN 0.544 nan 8.230 nan 0.000 0.496 199 P HA 0.073 nan 4.420 nan 0.000 0.266 199 P C -0.652 176.634 177.300 -0.023 0.000 1.193 199 P CA 0.663 63.742 63.100 -0.034 0.000 0.770 199 P CB 1.030 32.718 31.700 -0.021 0.000 0.836 200 L N 3.936 125.151 121.223 -0.012 0.000 2.334 200 L HA 0.412 4.925 4.340 0.287 0.000 0.277 200 L C -1.559 175.309 176.870 -0.004 0.000 1.075 200 L CA -2.200 52.638 54.840 -0.004 0.000 0.804 200 L CB 0.698 42.762 42.059 0.009 0.000 1.174 200 L HN 0.301 nan 8.230 nan 0.000 0.438 201 P HA 0.173 nan 4.420 nan 0.000 0.275 201 P C -0.662 176.636 177.300 -0.003 0.000 1.228 201 P CA -0.502 62.599 63.100 0.001 0.000 0.786 201 P CB 0.832 32.533 31.700 0.002 0.000 0.927 202 L N 3.139 124.361 121.223 -0.002 0.000 2.559 202 L HA -0.002 4.511 4.340 0.287 0.000 0.274 202 L C 1.764 178.633 176.870 -0.003 0.000 1.205 202 L CA 0.114 54.951 54.840 -0.005 0.000 0.907 202 L CB 0.104 42.161 42.059 -0.003 0.000 1.153 202 L HN 0.326 nan 8.230 nan 0.000 0.490 203 K N 2.599 122.996 120.400 -0.004 0.000 2.314 203 K HA 0.131 4.623 4.320 0.287 0.000 0.198 203 K C 0.191 176.793 176.600 0.003 0.000 1.045 203 K CA 0.786 57.072 56.287 -0.001 0.000 0.988 203 K CB 0.278 32.777 32.500 -0.001 0.000 0.783 203 K HN 0.533 nan 8.250 nan 0.000 0.484 204 K N 0.522 120.923 120.400 0.003 0.000 2.443 204 K HA 0.375 4.868 4.320 0.287 0.000 0.251 204 K C -2.708 173.898 176.600 0.010 0.000 0.972 204 K CA -1.933 54.359 56.287 0.008 0.000 0.833 204 K CB 1.514 34.020 32.500 0.010 0.000 1.317 204 K HN -0.260 nan 8.250 nan 0.000 0.441 205 P HA 0.038 nan 4.420 nan 0.000 0.268 205 P C -1.285 176.030 177.300 0.025 0.000 1.205 205 P CA -0.438 62.673 63.100 0.018 0.000 0.771 205 P CB 0.392 32.103 31.700 0.019 0.000 0.858 206 L N 4.575 125.815 121.223 0.027 0.000 2.264 206 L HA 0.313 4.825 4.340 0.287 0.000 0.289 206 L C -0.846 176.058 176.870 0.056 0.000 1.044 206 L CA -0.331 54.533 54.840 0.040 0.000 0.807 206 L CB 1.049 43.126 42.059 0.029 0.000 1.192 206 L HN 0.056 nan 8.230 nan 0.000 0.425 207 V N 5.924 125.887 119.914 0.082 0.000 2.394 207 V HA 0.320 4.613 4.120 0.287 0.000 0.282 207 V C 0.506 176.666 176.094 0.110 0.000 1.031 207 V CA -0.545 61.800 62.300 0.076 0.000 0.881 207 V CB 0.831 32.692 31.823 0.064 0.000 0.982 207 V HN 0.969 nan 8.190 nan 0.000 0.451 208 N N 4.515 123.260 118.700 0.076 0.000 2.721 208 N HA -0.218 4.695 4.740 0.287 0.000 0.249 208 N C 0.341 175.944 175.510 0.155 0.000 1.072 208 N CA 0.452 53.557 53.050 0.093 0.000 0.710 208 N CB -0.845 37.680 38.487 0.063 0.000 0.993 208 N HN 0.852 nan 8.380 nan 0.000 0.547 209 N N -1.878 116.898 118.700 0.127 0.000 2.693 209 N HA -0.214 4.698 4.740 0.287 0.000 0.249 209 N C -1.079 174.533 175.510 0.170 0.000 1.119 209 N CA 1.364 54.485 53.050 0.118 0.000 0.717 209 N CB -0.799 37.747 38.487 0.099 0.000 1.071 209 N HN 0.644 nan 8.380 nan 0.000 0.555 210 W N 1.055 122.350 121.300 -0.008 0.000 2.391 210 W HA 0.600 5.427 4.660 0.279 0.000 0.312 210 W C -0.529 175.980 176.519 -0.018 0.000 1.003 210 W CA -0.800 56.532 57.345 -0.020 0.000 1.375 210 W CB 0.691 30.144 29.460 -0.011 0.000 1.253 210 W HN 0.079 nan 8.180 nan 0.000 0.416 211 A N 5.316 127.912 122.820 -0.374 0.000 2.450 211 A HA 0.565 5.058 4.320 0.287 0.000 0.255 211 A C -0.051 177.333 177.584 -0.334 0.000 1.096 211 A CA 0.441 52.316 52.037 -0.270 0.000 0.778 211 A CB -0.188 18.662 19.000 -0.250 0.000 1.031 211 A HN 0.885 nan 8.150 nan 0.000 0.494 212 C N 0.977 120.206 119.300 -0.118 0.000 3.306 212 C HA 0.792 5.425 4.460 0.287 0.000 0.335 212 C C -0.838 174.117 174.990 -0.058 0.000 1.382 212 C CA -0.959 58.020 59.018 -0.064 0.000 1.254 212 C CB 1.598 29.432 27.740 0.157 0.000 1.555 212 C HN 0.797 nan 8.230 nan 0.000 0.463 213 N N 0.797 119.456 118.700 -0.068 0.000 2.707 213 N HA 0.408 5.321 4.740 0.287 0.000 0.249 213 N C -2.283 173.250 175.510 0.039 0.000 1.299 213 N CA -1.369 51.661 53.050 -0.032 0.000 0.769 213 N CB 1.415 39.843 38.487 -0.100 0.000 1.236 213 N HN 0.466 nan 8.380 nan 0.000 0.524 214 P HA -0.050 nan 4.420 nan 0.000 0.216 214 P C 0.638 177.989 177.300 0.084 0.000 1.153 214 P CA 1.239 64.387 63.100 0.081 0.000 0.848 214 P CB 0.589 32.334 31.700 0.076 0.000 0.787 215 E N -0.954 119.290 120.200 0.073 0.000 2.268 215 E HA -0.057 4.465 4.350 0.287 0.000 0.195 215 E C 1.325 177.977 176.600 0.087 0.000 0.995 215 E CA 0.791 57.232 56.400 0.070 0.000 0.836 215 E CB -0.512 29.220 29.700 0.053 0.000 0.763 215 E HN 0.253 nan 8.360 nan 0.000 0.491 216 L N 0.514 121.813 121.223 0.127 0.000 2.818 216 L HA 0.179 4.692 4.340 0.287 0.000 0.243 216 L C 0.116 177.141 176.870 0.258 0.000 1.185 216 L CA -0.274 54.666 54.840 0.166 0.000 0.988 216 L CB 0.384 42.578 42.059 0.225 0.000 1.292 216 L HN -0.060 nan 8.230 nan 0.000 0.519 217 T N 1.914 116.588 114.554 0.200 0.000 2.940 217 T HA 0.288 4.810 4.350 0.287 0.000 0.309 217 T C -0.451 174.385 174.700 0.227 0.000 1.056 217 T CA 0.541 62.772 62.100 0.217 0.000 1.137 217 T CB 1.103 70.066 68.868 0.159 0.000 0.976 217 T HN -0.028 nan 8.240 nan 0.000 0.547 218 L N 4.417 125.807 121.223 0.278 0.000 2.676 218 L HA 0.538 5.050 4.340 0.287 0.000 0.262 218 L C -1.885 175.172 176.870 0.313 0.000 0.932 218 L CA -0.381 54.625 54.840 0.276 0.000 0.932 218 L CB 1.558 43.790 42.059 0.289 0.000 1.355 218 L HN 0.517 nan 8.230 nan 0.000 0.421 219 I N 4.997 125.721 120.570 0.257 0.000 2.405 219 I HA 0.785 5.127 4.170 0.287 0.000 0.280 219 I C 0.107 176.292 176.117 0.113 0.000 1.027 219 I CA -0.047 61.378 61.300 0.209 0.000 1.161 219 I CB 1.597 39.731 38.000 0.222 0.000 1.300 219 I HN 0.705 nan 8.210 nan 0.000 0.463 220 A N 4.943 127.756 122.820 -0.011 0.000 2.337 220 A HA 0.909 5.401 4.320 0.287 0.000 0.331 220 A C -1.132 176.200 177.584 -0.420 0.000 1.137 220 A CA -0.498 51.459 52.037 -0.133 0.000 0.807 220 A CB 0.620 19.458 19.000 -0.270 0.000 1.250 220 A HN 0.678 nan 8.150 nan 0.000 0.468 221 H N 0.132 119.119 119.070 -0.138 0.000 2.667 221 H HA 0.580 5.270 4.556 0.224 0.000 0.353 221 H C -1.439 173.788 175.328 -0.169 0.000 1.072 221 H CA -0.508 55.484 56.048 -0.093 0.000 1.214 221 H CB 1.341 31.107 29.762 0.007 0.000 1.600 221 H HN 0.383 nan 8.280 nan 0.000 0.527 222 L N 5.020 126.195 121.223 -0.080 0.000 2.457 222 L HA 0.303 4.815 4.340 0.287 0.000 0.252 222 L C -1.739 175.089 176.870 -0.069 0.000 1.132 222 L CA -1.195 53.570 54.840 -0.124 0.000 0.938 222 L CB 1.486 43.421 42.059 -0.208 0.000 1.246 222 L HN 0.525 nan 8.230 nan 0.000 0.476 223 P HA -0.136 nan 4.420 nan 0.000 0.218 223 P C 0.574 177.833 177.300 -0.069 0.000 1.149 223 P CA 1.177 64.255 63.100 -0.036 0.000 0.817 223 P CB 0.461 32.157 31.700 -0.006 0.000 0.785 224 D N -0.228 120.136 120.400 -0.059 0.000 2.219 224 D HA -0.075 4.738 4.640 0.287 0.000 0.205 224 D C 1.822 178.066 176.300 -0.093 0.000 0.970 224 D CA 0.838 54.797 54.000 -0.068 0.000 0.851 224 D CB -0.159 40.615 40.800 -0.044 0.000 0.943 224 D HN 0.283 nan 8.370 nan 0.000 0.488 225 R N 0.173 120.607 120.500 -0.109 0.000 2.334 225 R HA 0.152 4.664 4.340 0.287 0.000 0.216 225 R C 0.011 176.199 176.300 -0.187 0.000 0.905 225 R CA -0.259 55.757 56.100 -0.140 0.000 1.064 225 R CB 0.586 30.806 30.300 -0.133 0.000 1.046 225 R HN -0.113 nan 8.270 nan 0.000 0.508 226 R N 1.179 121.573 120.500 -0.178 0.000 3.422 226 R HA -0.170 4.342 4.340 0.287 0.000 0.267 226 R C -1.098 175.057 176.300 -0.243 0.000 1.074 226 R CA 0.876 56.842 56.100 -0.222 0.000 0.718 226 R CB -2.463 27.665 30.300 -0.286 0.000 1.157 226 R HN 0.478 nan 8.270 nan 0.000 0.440 227 E N 0.075 120.170 120.200 -0.175 0.000 2.238 227 E HA 0.642 5.164 4.350 0.287 0.000 0.267 227 E C -0.096 176.448 176.600 -0.093 0.000 0.887 227 E CA -0.873 55.441 56.400 -0.144 0.000 0.769 227 E CB 1.800 31.420 29.700 -0.135 0.000 1.187 227 E HN 0.107 nan 8.360 nan 0.000 0.416 228 I N 3.517 124.064 120.570 -0.038 0.000 2.466 228 I HA 0.425 4.768 4.170 0.287 0.000 0.289 228 I C -0.782 175.359 176.117 0.039 0.000 1.026 228 I CA -0.504 60.769 61.300 -0.044 0.000 1.078 228 I CB 1.426 39.445 38.000 0.032 0.000 1.249 228 I HN 0.335 nan 8.210 nan 0.000 0.429 229 I N 4.849 125.436 120.570 0.027 0.000 2.468 229 I HA 0.350 4.692 4.170 0.287 0.000 0.285 229 I C -0.529 175.796 176.117 0.346 0.000 1.039 229 I CA -0.284 61.142 61.300 0.210 0.000 1.074 229 I CB 2.041 40.187 38.000 0.243 0.000 1.228 229 I HN 0.455 nan 8.210 nan 0.000 0.436 230 S N 6.715 122.714 115.700 0.499 0.000 2.594 230 S HA 0.682 5.324 4.470 0.287 0.000 0.296 230 S C -1.448 173.509 174.600 0.596 0.000 1.124 230 S CA -0.379 58.120 58.200 0.500 0.000 1.011 230 S CB 1.081 64.531 63.200 0.417 0.000 1.016 230 S HN 0.412 nan 8.310 nan 0.000 0.485 231 F N 3.662 123.773 119.950 0.269 0.000 2.547 231 F HA 0.662 5.358 4.527 0.282 0.000 0.316 231 F C 0.861 176.656 175.800 -0.008 0.000 1.121 231 F CA 0.594 58.582 58.000 -0.021 0.000 0.911 231 F CB 1.722 40.585 39.000 -0.228 0.000 1.179 231 F HN 0.860 nan 8.300 nan 0.000 0.443 232 G N 2.705 111.174 108.800 -0.551 0.000 2.234 232 G HA2 -0.197 3.936 3.960 0.287 0.000 0.235 232 G HA3 -0.197 3.936 3.960 0.287 0.000 0.235 232 G C -0.063 174.798 174.900 -0.065 0.000 0.997 232 G CA 0.134 45.030 45.100 -0.340 0.000 0.623 232 G HN 1.035 nan 8.290 nan 0.000 0.514 233 S N -0.099 115.656 115.700 0.091 0.000 2.482 233 S HA 0.635 5.278 4.470 0.287 0.000 0.303 233 S C 1.070 175.862 174.600 0.321 0.000 1.091 233 S CA 0.754 59.090 58.200 0.226 0.000 1.057 233 S CB 1.570 64.931 63.200 0.267 0.000 1.031 233 S HN 1.369 nan 8.310 nan 0.000 0.485 234 G N 2.439 111.439 108.800 0.332 0.000 3.284 234 G HA2 0.178 4.310 3.960 0.287 0.000 0.236 234 G HA3 0.178 4.310 3.960 0.287 0.000 0.236 234 G C -0.416 174.765 174.900 0.467 0.000 1.158 234 G CA -0.033 45.210 45.100 0.239 0.000 0.774 234 G HN 0.668 nan 8.290 nan 0.000 0.545 235 Y N 1.123 121.660 120.300 0.396 0.000 2.341 235 Y HA 0.459 5.178 4.550 0.281 0.000 0.337 235 Y C 1.272 177.315 175.900 0.239 0.000 1.014 235 Y CA 0.238 58.558 58.100 0.367 0.000 1.111 235 Y CB 1.324 39.931 38.460 0.245 0.000 1.194 235 Y HN 0.376 nan 8.280 nan 0.000 0.462 236 G N 3.733 112.481 108.800 -0.086 0.000 2.685 236 G HA2 -0.424 3.708 3.960 0.287 0.000 0.329 236 G HA3 -0.424 3.708 3.960 0.287 0.000 0.329 236 G C 1.253 176.137 174.900 -0.027 0.000 1.271 236 G CA 0.526 45.576 45.100 -0.084 0.000 1.003 236 G HN 1.411 nan 8.290 nan 0.000 0.549 237 G N 0.123 109.022 108.800 0.165 0.000 2.559 237 G HA2 -0.034 4.099 3.960 0.287 0.000 0.216 237 G HA3 -0.034 4.099 3.960 0.287 0.000 0.216 237 G C 1.397 176.398 174.900 0.167 0.000 1.126 237 G CA 1.434 46.617 45.100 0.139 0.000 0.778 237 G HN 0.602 nan 8.290 nan 0.000 0.543 238 N N 0.552 119.372 118.700 0.200 0.000 2.416 238 N HA -0.044 4.868 4.740 0.287 0.000 0.177 238 N C 2.201 177.789 175.510 0.130 0.000 1.036 238 N CA 1.338 54.508 53.050 0.201 0.000 0.901 238 N CB 0.297 38.935 38.487 0.252 0.000 0.976 238 N HN 0.501 nan 8.380 nan 0.000 0.444 239 S N -0.782 114.913 115.700 -0.009 0.000 2.619 239 S HA 0.234 4.876 4.470 0.287 0.000 0.238 239 S C 0.563 174.966 174.600 -0.329 0.000 1.068 239 S CA -0.416 57.590 58.200 -0.324 0.000 0.926 239 S CB 0.055 63.030 63.200 -0.376 0.000 0.864 239 S HN 0.006 nan 8.310 nan 0.000 0.493 240 L N 3.221 124.301 121.223 -0.240 0.000 2.375 240 L HA 0.408 4.921 4.340 0.287 0.000 0.276 240 L C 0.667 177.425 176.870 -0.188 0.000 1.162 240 L CA -0.265 54.398 54.840 -0.294 0.000 0.991 240 L CB 0.334 42.142 42.059 -0.417 0.000 1.315 240 L HN 0.249 nan 8.230 nan 0.000 0.431 241 L N 1.696 122.842 121.223 -0.127 0.000 2.478 241 L HA 0.006 4.519 4.340 0.287 0.000 0.223 241 L C 2.360 179.335 176.870 0.175 0.000 1.140 241 L CA 0.617 55.499 54.840 0.070 0.000 0.842 241 L CB -0.282 41.881 42.059 0.172 0.000 0.953 241 L HN 0.756 nan 8.230 nan 0.000 0.452 242 G N 0.233 109.000 108.800 -0.055 0.000 2.443 242 G HA2 -0.229 3.903 3.960 0.287 0.000 0.219 242 G HA3 -0.229 3.903 3.960 0.287 0.000 0.219 242 G C 1.602 176.496 174.900 -0.011 0.000 1.131 242 G CA 0.475 45.581 45.100 0.010 0.000 0.775 242 G HN 0.287 nan 8.290 nan 0.000 0.547 243 K N -0.042 120.328 120.400 -0.050 0.000 2.049 243 K HA 0.079 4.572 4.320 0.287 0.000 0.214 243 K C 2.383 178.995 176.600 0.021 0.000 1.026 243 K CA 0.464 56.710 56.287 -0.068 0.000 0.954 243 K CB -0.030 32.390 32.500 -0.133 0.000 0.838 243 K HN -0.122 nan 8.250 nan 0.000 0.450 244 K N 0.532 120.956 120.400 0.039 0.000 2.076 244 K HA -0.015 4.478 4.320 0.287 0.000 0.204 244 K C 2.348 179.085 176.600 0.229 0.000 1.051 244 K CA 1.016 57.330 56.287 0.046 0.000 0.949 244 K CB -0.651 31.923 32.500 0.123 0.000 0.726 244 K HN 0.338 nan 8.250 nan 0.000 0.443 245 C N 0.785 120.282 119.300 0.329 0.000 2.453 245 C HA -0.036 4.596 4.460 0.287 0.000 0.277 245 C C 2.561 177.858 174.990 0.511 0.000 1.262 245 C CA 0.189 59.515 59.018 0.513 0.000 1.718 245 C CB -0.810 27.177 27.740 0.410 0.000 2.031 245 C HN 0.355 nan 8.230 nan 0.000 0.480 246 F N 2.145 122.271 119.950 0.293 0.000 2.123 246 F HA 0.249 4.890 4.527 0.191 0.000 0.289 246 F C 2.295 178.325 175.800 0.383 0.000 1.099 246 F CA 1.450 59.648 58.000 0.329 0.000 1.234 246 F CB -1.146 38.082 39.000 0.380 0.000 1.034 246 F HN 0.114 nan 8.300 nan 0.000 0.479 247 A N -0.053 123.101 122.820 0.556 0.000 2.167 247 A HA 0.139 4.631 4.320 0.287 0.000 0.214 247 A C 2.064 180.004 177.584 0.594 0.000 1.151 247 A CA 0.959 53.383 52.037 0.645 0.000 0.735 247 A CB -0.548 18.582 19.000 0.217 0.000 0.802 247 A HN 0.479 nan 8.150 nan 0.000 0.467 248 L N -2.262 119.165 121.223 0.339 0.000 2.541 248 L HA 0.143 4.655 4.340 0.287 0.000 0.187 248 L C 2.641 179.648 176.870 0.228 0.000 1.098 248 L CA 0.147 55.123 54.840 0.227 0.000 0.846 248 L CB -0.429 41.615 42.059 -0.025 0.000 1.151 248 L HN 0.181 nan 8.230 nan 0.000 0.492 249 R N 0.297 120.923 120.500 0.210 0.000 2.057 249 R HA -0.017 4.496 4.340 0.287 0.000 0.229 249 R C 2.177 178.568 176.300 0.152 0.000 1.136 249 R CA 1.031 57.206 56.100 0.124 0.000 0.952 249 R CB -0.173 30.061 30.300 -0.109 0.000 0.848 249 R HN 0.183 nan 8.270 nan 0.000 0.430 250 I N 1.183 121.881 120.570 0.213 0.000 2.226 250 I HA -0.175 4.168 4.170 0.287 0.000 0.245 250 I C 2.507 178.680 176.117 0.093 0.000 1.100 250 I CA 1.309 62.691 61.300 0.137 0.000 1.374 250 I CB -1.298 36.765 38.000 0.104 0.000 1.057 250 I HN 0.155 nan 8.210 nan 0.000 0.413 251 A N 0.861 123.801 122.820 0.200 0.000 2.015 251 A HA -0.153 4.340 4.320 0.287 0.000 0.219 251 A C 2.491 179.902 177.584 -0.287 0.000 1.163 251 A CA 1.802 53.839 52.037 -0.000 0.000 0.646 251 A CB -0.640 18.443 19.000 0.139 0.000 0.806 251 A HN 0.563 nan 8.150 nan 0.000 0.448 252 S N -0.181 115.506 115.700 -0.022 0.000 2.383 252 S HA -0.181 4.461 4.470 0.287 0.000 0.227 252 S C 2.014 176.573 174.600 -0.069 0.000 1.026 252 S CA 1.189 59.414 58.200 0.042 0.000 0.981 252 S CB -0.404 63.011 63.200 0.358 0.000 0.818 252 S HN 0.630 nan 8.310 nan 0.000 0.472 253 R N 0.967 121.427 120.500 -0.068 0.000 2.090 253 R HA 0.166 4.678 4.340 0.287 0.000 0.228 253 R C 2.271 178.313 176.300 -0.430 0.000 1.110 253 R CA 1.098 56.997 56.100 -0.336 0.000 0.973 253 R CB -0.430 29.799 30.300 -0.118 0.000 0.869 253 R HN 0.454 nan 8.270 nan 0.000 0.440 254 L N 0.199 121.211 121.223 -0.352 0.000 2.131 254 L HA -0.103 4.409 4.340 0.287 0.000 0.210 254 L C 2.638 179.135 176.870 -0.622 0.000 1.092 254 L CA 1.157 55.792 54.840 -0.341 0.000 0.759 254 L CB -0.542 41.430 42.059 -0.146 0.000 0.903 254 L HN 0.304 nan 8.230 nan 0.000 0.435 255 A N 0.395 122.506 122.820 -1.181 0.000 1.902 255 A HA -0.242 4.250 4.320 0.287 0.000 0.217 255 A C 2.322 179.382 177.584 -0.874 0.000 1.181 255 A CA 1.928 52.917 52.037 -1.746 0.000 0.623 255 A CB -0.363 17.597 19.000 -1.734 0.000 0.818 255 A HN 0.244 nan 8.150 nan 0.000 0.443 256 K N 0.539 120.431 120.400 -0.846 0.000 2.057 256 K HA -0.134 4.358 4.320 0.287 0.000 0.207 256 K C 1.596 177.837 176.600 -0.598 0.000 1.049 256 K CA 2.114 57.758 56.287 -1.071 0.000 0.931 256 K CB -0.343 31.432 32.500 -1.208 0.000 0.714 256 K HN 0.606 nan 8.250 nan 0.000 0.440 257 E N -0.445 119.484 120.200 -0.452 0.000 2.371 257 E HA -0.039 4.483 4.350 0.287 0.000 0.194 257 E C 0.903 177.425 176.600 -0.130 0.000 1.012 257 E CA 0.670 56.917 56.400 -0.255 0.000 0.860 257 E CB 0.275 29.839 29.700 -0.227 0.000 0.811 257 E HN 0.424 nan 8.360 nan 0.000 0.502 258 E N -0.830 119.303 120.200 -0.112 0.000 2.562 258 E HA 0.158 4.680 4.350 0.287 0.000 0.214 258 E C 0.559 177.283 176.600 0.206 0.000 0.979 258 E CA 0.214 56.671 56.400 0.095 0.000 1.002 258 E CB 1.441 31.317 29.700 0.293 0.000 1.048 258 E HN 0.232 nan 8.360 nan 0.000 0.488 259 G N 1.641 110.530 108.800 0.147 0.000 2.131 259 G HA2 -0.167 3.965 3.960 0.287 0.000 0.201 259 G HA3 -0.167 3.965 3.960 0.287 0.000 0.201 259 G C -0.227 174.844 174.900 0.286 0.000 1.000 259 G CA 0.168 45.411 45.100 0.238 0.000 0.680 259 G HN 0.228 nan 8.290 nan 0.000 0.514 260 W N -1.141 120.204 121.300 0.076 0.000 3.505 260 W HA 0.849 5.670 4.660 0.269 0.000 0.338 260 W C -0.966 175.573 176.519 0.034 0.000 1.159 260 W CA -1.551 55.783 57.345 -0.018 0.000 0.981 260 W CB 0.761 30.180 29.460 -0.067 0.000 1.575 260 W HN 0.131 nan 8.180 nan 0.000 0.608 261 L N 1.322 122.669 121.223 0.206 0.000 2.422 261 L HA 0.728 5.241 4.340 0.287 0.000 0.264 261 L C -0.528 176.482 176.870 0.233 0.000 0.984 261 L CA -0.989 53.896 54.840 0.076 0.000 0.819 261 L CB 1.902 43.931 42.059 -0.049 0.000 1.330 261 L HN 0.580 nan 8.230 nan 0.000 0.410 262 A N 2.427 125.355 122.820 0.179 0.000 2.332 262 A HA 0.831 5.323 4.320 0.287 0.000 0.300 262 A C -0.962 176.891 177.584 0.449 0.000 1.153 262 A CA -0.497 51.752 52.037 0.354 0.000 0.764 262 A CB 1.076 20.132 19.000 0.093 0.000 1.174 262 A HN 0.593 nan 8.150 nan 0.000 0.467 263 E N 0.785 121.283 120.200 0.497 0.000 2.367 263 E HA 0.186 4.709 4.350 0.287 0.000 0.273 263 E C -1.143 175.688 176.600 0.385 0.000 0.903 263 E CA -0.565 56.123 56.400 0.480 0.000 0.764 263 E CB 1.617 31.652 29.700 0.558 0.000 1.252 263 E HN 0.804 nan 8.360 nan 0.000 0.446 264 H N 2.762 121.958 119.070 0.209 0.000 2.855 264 H HA 0.314 5.061 4.556 0.319 0.000 0.238 264 H C -0.685 174.707 175.328 0.107 0.000 1.847 264 H CA -0.007 56.092 56.048 0.085 0.000 1.368 264 H CB -0.076 29.722 29.762 0.061 0.000 1.758 264 H HN 0.202 nan 8.280 nan 0.000 0.546 265 M N 4.309 124.000 119.600 0.153 0.000 2.393 265 M HA 0.173 4.825 4.480 0.287 0.000 0.299 265 M C -0.706 175.604 176.300 0.016 0.000 1.103 265 M CA -1.277 54.040 55.300 0.030 0.000 0.910 265 M CB 2.578 35.247 32.600 0.114 0.000 1.659 265 M HN 0.316 nan 8.290 nan 0.000 0.445 266 L N 1.481 122.661 121.223 -0.071 0.000 2.472 266 L HA 0.662 5.175 4.340 0.287 0.000 0.260 266 L C -0.914 175.976 176.870 0.034 0.000 1.209 266 L CA 0.142 54.977 54.840 -0.009 0.000 0.817 266 L CB 0.186 42.212 42.059 -0.054 0.000 1.106 266 L HN 0.572 nan 8.230 nan 0.000 0.479 267 I N 2.017 122.642 120.570 0.091 0.000 2.499 267 I HA 0.512 4.855 4.170 0.287 0.000 0.288 267 I C -0.915 175.307 176.117 0.176 0.000 1.048 267 I CA -0.658 60.725 61.300 0.140 0.000 1.062 267 I CB 1.855 39.951 38.000 0.160 0.000 1.238 267 I HN 0.687 nan 8.210 nan 0.000 0.426 268 L N 3.453 124.790 121.223 0.191 0.000 2.350 268 L HA 1.059 5.572 4.340 0.287 0.000 0.260 268 L C -0.292 176.675 176.870 0.162 0.000 1.015 268 L CA -0.469 54.472 54.840 0.168 0.000 0.821 268 L CB 1.723 43.839 42.059 0.095 0.000 1.370 268 L HN 0.510 nan 8.230 nan 0.000 0.416 269 G N 1.345 110.144 108.800 -0.003 0.000 2.416 269 G HA2 0.683 4.815 3.960 0.287 0.000 0.324 269 G HA3 0.683 4.815 3.960 0.287 0.000 0.324 269 G C -1.395 173.412 174.900 -0.154 0.000 1.194 269 G CA -0.534 44.307 45.100 -0.432 0.000 0.922 269 G HN 0.912 nan 8.290 nan 0.000 0.467 270 I N 1.569 122.101 120.570 -0.064 0.000 2.465 270 I HA 0.584 4.927 4.170 0.287 0.000 0.291 270 I C -0.580 175.647 176.117 0.182 0.000 1.014 270 I CA -0.452 60.933 61.300 0.141 0.000 1.093 270 I CB 2.141 40.316 38.000 0.291 0.000 1.267 270 I HN 0.395 nan 8.210 nan 0.000 0.431 271 T N 6.233 120.838 114.554 0.086 0.000 2.829 271 T HA 0.403 4.925 4.350 0.287 0.000 0.280 271 T C -0.406 174.071 174.700 -0.371 0.000 0.999 271 T CA -0.703 61.360 62.100 -0.062 0.000 0.983 271 T CB 1.200 70.020 68.868 -0.079 0.000 0.968 271 T HN 0.740 nan 8.240 nan 0.000 0.446 272 N N 2.483 120.713 118.700 -0.784 0.000 2.530 272 N HA 0.441 5.353 4.740 0.287 0.000 0.283 272 N C -2.543 172.374 175.510 -0.989 0.000 1.238 272 N CA -2.387 49.675 53.050 -1.648 0.000 0.971 272 N CB 0.148 37.400 38.487 -2.060 0.000 1.195 272 N HN 0.081 nan 8.380 nan 0.000 0.583 273 P HA 0.064 nan 4.420 nan 0.000 0.237 273 P C -0.028 177.078 177.300 -0.323 0.000 1.178 273 P CA 0.921 63.714 63.100 -0.513 0.000 0.766 273 P CB 0.225 31.689 31.700 -0.392 0.000 0.876 274 E N -0.915 119.082 120.200 -0.339 0.000 2.419 274 E HA 0.217 4.739 4.350 0.287 0.000 0.190 274 E C 1.168 177.679 176.600 -0.148 0.000 1.040 274 E CA 0.067 56.356 56.400 -0.185 0.000 0.900 274 E CB -0.524 29.092 29.700 -0.140 0.000 1.054 274 E HN 0.121 nan 8.360 nan 0.000 0.462 275 G N 2.157 110.849 108.800 -0.180 0.000 2.176 275 G HA2 -0.247 3.886 3.960 0.287 0.000 0.252 275 G HA3 -0.247 3.886 3.960 0.287 0.000 0.252 275 G C -0.003 174.864 174.900 -0.056 0.000 1.024 275 G CA 0.167 45.200 45.100 -0.112 0.000 0.755 275 G HN -0.007 nan 8.290 nan 0.000 0.507 276 K N 0.022 120.396 120.400 -0.044 0.000 2.164 276 K HA 0.644 5.137 4.320 0.287 0.000 0.258 276 K C 0.080 176.796 176.600 0.193 0.000 0.951 276 K CA -0.763 55.586 56.287 0.104 0.000 0.844 276 K CB 2.187 34.827 32.500 0.234 0.000 1.099 276 K HN 0.367 nan 8.250 nan 0.000 0.435 277 K N 1.874 122.374 120.400 0.166 0.000 2.316 277 K HA 0.397 4.889 4.320 0.287 0.000 0.251 277 K C -1.036 175.603 176.600 0.066 0.000 0.934 277 K CA -0.576 55.786 56.287 0.124 0.000 0.802 277 K CB 1.240 33.742 32.500 0.002 0.000 1.171 277 K HN 0.404 nan 8.250 nan 0.000 0.426 278 K N 2.520 122.923 120.400 0.005 0.000 2.469 278 K HA 0.309 4.801 4.320 0.287 0.000 0.254 278 K C -1.538 174.987 176.600 -0.125 0.000 0.939 278 K CA -0.849 55.390 56.287 -0.080 0.000 0.812 278 K CB 1.653 33.979 32.500 -0.290 0.000 1.301 278 K HN 0.379 nan 8.250 nan 0.000 0.433 279 Y N 1.664 121.994 120.300 0.050 0.000 2.342 279 Y HA 0.449 5.172 4.550 0.287 0.000 0.334 279 Y C -0.015 175.924 175.900 0.066 0.000 1.067 279 Y CA -0.689 57.454 58.100 0.071 0.000 1.128 279 Y CB 1.056 39.557 38.460 0.067 0.000 1.200 279 Y HN 0.172 nan 8.280 nan 0.000 0.464 280 L N 2.777 124.128 121.223 0.214 0.000 2.370 280 L HA 0.907 5.419 4.340 0.287 0.000 0.266 280 L C -0.523 176.422 176.870 0.126 0.000 1.002 280 L CA -1.209 53.719 54.840 0.146 0.000 0.818 280 L CB 2.046 44.173 42.059 0.113 0.000 1.325 280 L HN 0.683 nan 8.230 nan 0.000 0.418 281 A N 1.755 124.624 122.820 0.082 0.000 2.355 281 A HA 0.958 5.451 4.320 0.287 0.000 0.324 281 A C -0.882 176.653 177.584 -0.082 0.000 1.117 281 A CA -0.464 51.592 52.037 0.032 0.000 0.785 281 A CB 1.779 20.826 19.000 0.079 0.000 1.254 281 A HN 0.785 nan 8.150 nan 0.000 0.453 282 A N 0.615 123.323 122.820 -0.185 0.000 2.408 282 A HA 0.752 5.244 4.320 0.287 0.000 0.295 282 A C -0.353 176.912 177.584 -0.531 0.000 1.040 282 A CA 0.158 51.932 52.037 -0.438 0.000 0.707 282 A CB 1.173 19.771 19.000 -0.670 0.000 1.235 282 A HN 2.263 nan 8.150 nan 0.000 0.418 283 A N 2.401 124.975 122.820 -0.409 0.000 2.273 283 A HA 0.768 5.260 4.320 0.287 0.000 0.320 283 A C -1.099 176.459 177.584 -0.044 0.000 1.358 283 A CA -0.192 51.756 52.037 -0.149 0.000 0.910 283 A CB -0.353 18.787 19.000 0.233 0.000 1.159 283 A HN 0.685 nan 8.150 nan 0.000 0.526 284 F N 1.969 121.862 119.950 -0.094 0.000 2.546 284 F HA 0.603 5.303 4.527 0.289 0.000 0.320 284 F C -2.385 173.346 175.800 -0.114 0.000 1.076 284 F CA -3.074 54.867 58.000 -0.098 0.000 0.928 284 F CB 1.150 40.097 39.000 -0.089 0.000 1.189 284 F HN 0.263 nan 8.300 nan 0.000 0.465 285 P HA 0.009 nan 4.420 nan 0.000 0.270 285 P C -0.093 177.309 177.300 0.170 0.000 1.227 285 P CA -0.176 63.021 63.100 0.162 0.000 0.788 285 P CB 0.507 32.250 31.700 0.073 0.000 0.926 286 S N 1.560 117.434 115.700 0.289 0.000 2.558 286 S HA 0.220 4.862 4.470 0.287 0.000 0.287 286 S C 0.882 175.542 174.600 0.100 0.000 1.321 286 S CA 0.595 58.928 58.200 0.221 0.000 1.048 286 S CB -1.158 62.197 63.200 0.259 0.000 0.844 286 S HN 0.704 nan 8.310 nan 0.000 0.512 287 A N 2.458 125.326 122.820 0.080 0.000 2.887 287 A HA -0.173 4.320 4.320 0.287 0.000 0.257 287 A C 0.937 178.530 177.584 0.015 0.000 1.372 287 A CA 0.827 52.885 52.037 0.035 0.000 0.879 287 A CB -2.529 16.470 19.000 -0.003 0.000 1.082 287 A HN 1.051 nan 8.150 nan 0.000 0.703 288 C N -1.136 118.204 119.300 0.068 0.000 3.240 288 C HA 0.588 5.220 4.460 0.287 0.000 0.271 288 C C 1.826 176.969 174.990 0.256 0.000 1.534 288 C CA 0.207 59.254 59.018 0.048 0.000 1.796 288 C CB -0.529 27.160 27.740 -0.086 0.000 2.892 288 C HN 2.408 nan 8.230 nan 0.000 0.566 289 G N 1.692 110.671 108.800 0.299 0.000 2.131 289 G HA2 -0.216 3.916 3.960 0.287 0.000 0.201 289 G HA3 -0.216 3.916 3.960 0.287 0.000 0.201 289 G C 0.842 176.013 174.900 0.452 0.000 1.000 289 G CA 0.346 45.658 45.100 0.354 0.000 0.680 289 G HN 0.520 nan 8.290 nan 0.000 0.514 290 K N -0.464 120.175 120.400 0.398 0.000 2.026 290 K HA -0.069 4.423 4.320 0.287 0.000 0.208 290 K C 2.565 179.237 176.600 0.119 0.000 1.048 290 K CA 1.854 58.265 56.287 0.207 0.000 0.929 290 K CB -0.271 32.225 32.500 -0.007 0.000 0.713 290 K HN 0.332 nan 8.250 nan 0.000 0.439 291 T N 1.302 115.907 114.554 0.086 0.000 2.833 291 T HA -0.092 4.430 4.350 0.287 0.000 0.269 291 T C 1.369 176.090 174.700 0.036 0.000 1.054 291 T CA 1.573 63.684 62.100 0.017 0.000 1.135 291 T CB -0.297 68.570 68.868 -0.002 0.000 0.869 291 T HN 0.285 nan 8.240 nan 0.000 0.466 292 N N 1.087 119.854 118.700 0.112 0.000 2.188 292 N HA -0.013 4.899 4.740 0.287 0.000 0.184 292 N C 1.560 177.127 175.510 0.095 0.000 1.018 292 N CA 0.501 53.626 53.050 0.124 0.000 0.858 292 N CB -0.339 38.274 38.487 0.210 0.000 0.989 292 N HN 0.165 nan 8.380 nan 0.000 0.426 293 L N 0.771 122.082 121.223 0.147 0.000 2.072 293 L HA 0.155 4.667 4.340 0.287 0.000 0.205 293 L C 1.954 178.866 176.870 0.070 0.000 1.079 293 L CA 1.285 56.212 54.840 0.146 0.000 0.752 293 L CB -0.982 41.271 42.059 0.325 0.000 0.906 293 L HN 0.151 nan 8.230 nan 0.000 0.436 294 A N -0.787 122.053 122.820 0.033 0.000 2.019 294 A HA -0.138 4.355 4.320 0.287 0.000 0.219 294 A C 1.987 179.541 177.584 -0.050 0.000 1.164 294 A CA 1.914 53.945 52.037 -0.009 0.000 0.644 294 A CB -0.534 18.439 19.000 -0.046 0.000 0.805 294 A HN 0.547 nan 8.150 nan 0.000 0.449 295 M N -0.951 118.604 119.600 -0.074 0.000 2.484 295 M HA 0.289 4.941 4.480 0.287 0.000 0.307 295 M C 0.463 176.736 176.300 -0.045 0.000 1.149 295 M CA -0.171 55.069 55.300 -0.100 0.000 0.972 295 M CB 0.098 32.593 32.600 -0.175 0.000 1.400 295 M HN 0.494 nan 8.290 nan 0.000 0.508 296 M N 1.999 121.592 119.600 -0.011 0.000 2.246 296 M HA -0.031 4.621 4.480 0.287 0.000 0.327 296 M C -0.100 176.195 176.300 -0.009 0.000 1.090 296 M CA 1.023 56.320 55.300 -0.005 0.000 1.087 296 M CB 0.416 33.015 32.600 -0.001 0.000 1.587 296 M HN 0.108 nan 8.290 nan 0.000 0.444 297 N N 6.317 125.009 118.700 -0.014 0.000 2.546 297 N HA 0.486 5.399 4.740 0.287 0.000 0.238 297 N C -2.674 172.826 175.510 -0.016 0.000 0.984 297 N CA -1.803 51.239 53.050 -0.013 0.000 0.935 297 N CB 0.890 39.363 38.487 -0.023 0.000 1.122 297 N HN 0.311 nan 8.380 nan 0.000 0.510 298 P HA 0.090 nan 4.420 nan 0.000 0.269 298 P C 0.641 177.929 177.300 -0.020 0.000 1.209 298 P CA -0.157 62.933 63.100 -0.017 0.000 0.776 298 P CB 0.749 32.469 31.700 0.034 0.000 0.876 299 T N -0.272 114.249 114.554 -0.054 0.000 2.978 299 T HA 0.058 4.581 4.350 0.287 0.000 0.262 299 T C 1.000 175.687 174.700 -0.021 0.000 1.063 299 T CA 0.267 62.337 62.100 -0.050 0.000 1.140 299 T CB -0.482 68.335 68.868 -0.085 0.000 0.886 299 T HN 0.182 nan 8.240 nan 0.000 0.470 300 L N 3.660 124.866 121.223 -0.028 0.000 2.410 300 L HA 0.298 4.811 4.340 0.287 0.000 0.273 300 L C -1.986 174.984 176.870 0.167 0.000 1.152 300 L CA -2.103 52.757 54.840 0.032 0.000 0.855 300 L CB 0.143 42.148 42.059 -0.091 0.000 1.129 300 L HN 0.120 nan 8.230 nan 0.000 0.463 301 P HA 0.060 nan 4.420 nan 0.000 0.268 301 P C 0.718 178.117 177.300 0.166 0.000 1.205 301 P CA 0.326 63.499 63.100 0.122 0.000 0.771 301 P CB 1.045 32.785 31.700 0.066 0.000 0.858 302 G N 0.568 109.406 108.800 0.064 0.000 2.179 302 G HA2 -0.223 3.909 3.960 0.287 0.000 0.260 302 G HA3 -0.223 3.909 3.960 0.287 0.000 0.260 302 G C -0.529 174.249 174.900 -0.205 0.000 0.977 302 G CA -0.363 44.691 45.100 -0.076 0.000 0.641 302 G HN 0.435 nan 8.290 nan 0.000 0.533 303 W N 0.464 121.723 121.300 -0.067 0.000 2.512 303 W HA 0.736 5.568 4.660 0.286 0.000 0.335 303 W C 0.447 176.932 176.519 -0.056 0.000 1.088 303 W CA -0.777 56.520 57.345 -0.080 0.000 1.236 303 W CB 1.336 30.749 29.460 -0.079 0.000 1.307 303 W HN 0.097 nan 8.180 nan 0.000 0.567 304 K N 1.844 122.336 120.400 0.154 0.000 2.427 304 K HA 0.687 5.179 4.320 0.287 0.000 0.252 304 K C -1.767 174.897 176.600 0.106 0.000 0.931 304 K CA -0.626 55.716 56.287 0.092 0.000 0.793 304 K CB 1.823 34.337 32.500 0.024 0.000 1.211 304 K HN 0.336 nan 8.250 nan 0.000 0.426 305 V N 3.188 123.150 119.914 0.079 0.000 2.555 305 V HA 0.411 4.703 4.120 0.287 0.000 0.302 305 V C -0.740 175.376 176.094 0.037 0.000 1.038 305 V CA -0.723 61.614 62.300 0.061 0.000 0.887 305 V CB 1.729 33.587 31.823 0.057 0.000 0.991 305 V HN 0.845 nan 8.190 nan 0.000 0.434 306 E N 1.679 121.901 120.200 0.036 0.000 2.256 306 E HA 0.476 4.999 4.350 0.287 0.000 0.267 306 E C -1.383 175.263 176.600 0.076 0.000 0.892 306 E CA -0.562 55.868 56.400 0.050 0.000 0.775 306 E CB 2.393 32.132 29.700 0.065 0.000 1.207 306 E HN 0.702 nan 8.360 nan 0.000 0.420 307 C N 3.172 122.517 119.300 0.075 0.000 2.273 307 C HA 0.351 4.983 4.460 0.287 0.000 0.328 307 C C 1.284 176.389 174.990 0.192 0.000 1.275 307 C CA -0.324 58.751 59.018 0.096 0.000 1.704 307 C CB -0.458 27.282 27.740 0.000 0.000 2.326 307 C HN 0.696 nan 8.230 nan 0.000 0.517 308 V N 5.363 125.430 119.914 0.255 0.000 2.575 308 V HA 0.374 4.667 4.120 0.287 0.000 0.242 308 V C 1.448 177.740 176.094 0.330 0.000 1.045 308 V CA 1.466 63.966 62.300 0.334 0.000 1.065 308 V CB -0.341 31.668 31.823 0.310 0.000 0.717 308 V HN 1.040 nan 8.190 nan 0.000 0.467 309 G N -0.170 108.794 108.800 0.274 0.000 2.660 309 G HA2 0.473 4.606 3.960 0.287 0.000 0.290 309 G HA3 0.473 4.606 3.960 0.287 0.000 0.290 309 G C -0.910 174.132 174.900 0.236 0.000 1.432 309 G CA 0.429 45.715 45.100 0.311 0.000 0.807 309 G HN 0.146 nan 8.290 nan 0.000 0.485 310 D N -1.660 118.905 120.400 0.275 0.000 2.469 310 D HA 0.186 4.998 4.640 0.287 0.000 0.213 310 D C 0.452 176.811 176.300 0.097 0.000 1.135 310 D CA 0.263 54.338 54.000 0.126 0.000 0.834 310 D CB 1.358 42.176 40.800 0.029 0.000 1.009 310 D HN 0.371 nan 8.370 nan 0.000 0.507 311 D N -0.945 119.530 120.400 0.124 0.000 2.017 311 D HA 0.159 4.971 4.640 0.287 0.000 0.336 311 D C -0.438 175.957 176.300 0.157 0.000 1.104 311 D CA 0.072 54.151 54.000 0.132 0.000 0.965 311 D CB 0.976 41.871 40.800 0.159 0.000 1.864 311 D HN -0.056 nan 8.370 nan 0.000 0.538 312 I N 1.818 122.451 120.570 0.105 0.000 2.498 312 I HA 0.722 5.065 4.170 0.287 0.000 0.290 312 I C -0.632 175.537 176.117 0.087 0.000 1.032 312 I CA -1.063 60.295 61.300 0.096 0.000 1.073 312 I CB 1.217 39.214 38.000 -0.004 0.000 1.251 312 I HN 0.076 nan 8.210 nan 0.000 0.426 313 A N 5.884 128.823 122.820 0.199 0.000 2.386 313 A HA 0.808 5.301 4.320 0.287 0.000 0.311 313 A C -1.959 175.924 177.584 0.499 0.000 1.068 313 A CA -0.455 51.718 52.037 0.228 0.000 0.743 313 A CB 1.310 20.441 19.000 0.218 0.000 1.258 313 A HN 0.584 nan 8.150 nan 0.000 0.429 314 W N 1.834 123.233 121.300 0.165 0.000 2.475 314 W HA 0.716 5.499 4.660 0.204 0.000 0.317 314 W C -0.371 176.232 176.519 0.141 0.000 1.046 314 W CA -1.079 56.410 57.345 0.239 0.000 1.215 314 W CB 1.169 30.728 29.460 0.165 0.000 1.335 314 W HN 0.541 nan 8.180 nan 0.000 0.471 315 M N 3.179 123.005 119.600 0.377 0.000 2.518 315 M HA 0.518 5.170 4.480 0.287 0.000 0.300 315 M C -0.600 175.740 176.300 0.067 0.000 1.175 315 M CA -0.920 54.456 55.300 0.127 0.000 0.890 315 M CB 3.474 36.091 32.600 0.029 0.000 1.710 315 M HN 0.285 nan 8.290 nan 0.000 0.453 316 K N 1.730 122.094 120.400 -0.060 0.000 2.543 316 K HA 0.529 5.022 4.320 0.287 0.000 0.255 316 K C -1.798 174.719 176.600 -0.139 0.000 0.934 316 K CA -0.583 55.665 56.287 -0.065 0.000 0.810 316 K CB 2.002 34.505 32.500 0.005 0.000 1.315 316 K HN 0.476 nan 8.250 nan 0.000 0.433 317 F N 3.134 123.071 119.950 -0.022 0.000 2.529 317 F HA 0.026 4.728 4.527 0.293 0.000 0.365 317 F C 1.211 176.988 175.800 -0.038 0.000 1.102 317 F CA 0.245 58.217 58.000 -0.048 0.000 1.271 317 F CB 0.351 39.307 39.000 -0.074 0.000 1.120 317 F HN 0.589 nan 8.300 nan 0.000 0.579 318 D N 1.791 122.305 120.400 0.190 0.000 2.478 318 D HA 0.340 5.152 4.640 0.287 0.000 0.269 318 D C 0.904 177.242 176.300 0.063 0.000 1.232 318 D CA -0.293 53.761 54.000 0.089 0.000 1.059 318 D CB 0.305 41.129 40.800 0.040 0.000 1.104 318 D HN 0.451 nan 8.370 nan 0.000 0.566 319 A N -0.898 121.935 122.820 0.022 0.000 2.121 319 A HA -0.141 4.351 4.320 0.287 0.000 0.218 319 A C 1.711 179.285 177.584 -0.018 0.000 1.154 319 A CA 0.981 53.016 52.037 -0.003 0.000 0.679 319 A CB -0.511 18.484 19.000 -0.008 0.000 0.795 319 A HN 0.448 nan 8.150 nan 0.000 0.458 320 Q N -1.558 118.238 119.800 -0.006 0.000 2.392 320 Q HA 0.192 4.705 4.340 0.287 0.000 0.203 320 Q C 1.241 177.223 176.000 -0.030 0.000 0.917 320 Q CA 0.783 56.576 55.803 -0.017 0.000 0.939 320 Q CB 0.149 28.885 28.738 -0.003 0.000 1.063 320 Q HN 0.972 nan 8.270 nan 0.000 0.516 321 G N 1.394 110.178 108.800 -0.026 0.000 2.175 321 G HA2 -0.252 3.880 3.960 0.287 0.000 0.244 321 G HA3 -0.252 3.880 3.960 0.287 0.000 0.244 321 G C -0.124 174.840 174.900 0.106 0.000 0.982 321 G CA 0.051 45.100 45.100 -0.085 0.000 0.641 321 G HN 0.423 nan 8.290 nan 0.000 0.527 322 N N -0.097 118.692 118.700 0.148 0.000 2.529 322 N HA 0.524 5.436 4.740 0.287 0.000 0.278 322 N C -0.110 175.531 175.510 0.219 0.000 1.146 322 N CA -0.552 52.595 53.050 0.162 0.000 0.980 322 N CB 1.473 40.001 38.487 0.068 0.000 1.124 322 N HN 0.222 nan 8.380 nan 0.000 0.458 323 L N 2.712 124.000 121.223 0.108 0.000 2.342 323 L HA 0.231 4.744 4.340 0.287 0.000 0.285 323 L C -0.300 176.512 176.870 -0.095 0.000 1.095 323 L CA 0.053 54.783 54.840 -0.183 0.000 0.843 323 L CB -0.276 41.596 42.059 -0.312 0.000 1.201 323 L HN 0.411 nan 8.230 nan 0.000 0.445 324 R N 4.495 124.943 120.500 -0.087 0.000 2.407 324 R HA 0.782 5.294 4.340 0.287 0.000 0.303 324 R C -0.757 175.509 176.300 -0.055 0.000 0.981 324 R CA -0.570 55.490 56.100 -0.066 0.000 0.905 324 R CB 1.637 31.905 30.300 -0.054 0.000 1.099 324 R HN 0.730 nan 8.270 nan 0.000 0.459 325 A N 3.975 126.764 122.820 -0.050 0.000 2.365 325 A HA 0.691 5.184 4.320 0.287 0.000 0.318 325 A C -0.239 177.338 177.584 -0.012 0.000 1.091 325 A CA -0.863 51.178 52.037 0.006 0.000 0.763 325 A CB 0.990 20.009 19.000 0.031 0.000 1.248 325 A HN 0.802 nan 8.150 nan 0.000 0.442 326 I N -0.645 119.945 120.570 0.033 0.000 2.740 326 I HA 0.624 4.966 4.170 0.287 0.000 0.303 326 I C -0.458 175.647 176.117 -0.020 0.000 1.044 326 I CA -1.011 60.278 61.300 -0.017 0.000 1.064 326 I CB 2.146 40.111 38.000 -0.058 0.000 1.249 326 I HN 0.503 nan 8.210 nan 0.000 0.433 327 N N 5.452 124.133 118.700 -0.031 0.000 2.408 327 N HA 0.374 5.286 4.740 0.287 0.000 0.257 327 N C -1.826 173.549 175.510 -0.224 0.000 1.064 327 N CA -2.487 50.530 53.050 -0.055 0.000 0.952 327 N CB 1.029 39.586 38.487 0.117 0.000 1.093 327 N HN 0.463 nan 8.380 nan 0.000 0.490 328 P HA 0.024 nan 4.420 nan 0.000 0.245 328 P C -0.490 176.553 177.300 -0.428 0.000 1.206 328 P CA 0.619 63.292 63.100 -0.713 0.000 0.781 328 P CB 0.511 31.243 31.700 -1.614 0.000 0.994 329 E N 0.128 120.170 120.200 -0.263 0.000 2.312 329 E HA 0.155 4.677 4.350 0.287 0.000 0.259 329 E C 0.235 176.799 176.600 -0.059 0.000 1.122 329 E CA -0.371 55.928 56.400 -0.169 0.000 0.922 329 E CB 0.394 30.012 29.700 -0.137 0.000 1.109 329 E HN -0.127 nan 8.360 nan 0.000 0.442 330 N N -0.800 117.852 118.700 -0.080 0.000 2.171 330 N HA 0.171 5.083 4.740 0.287 0.000 0.212 330 N C -0.681 174.714 175.510 -0.191 0.000 1.184 330 N CA 0.042 53.101 53.050 0.016 0.000 0.888 330 N CB 1.185 39.660 38.487 -0.020 0.000 1.038 330 N HN 0.500 nan 8.380 nan 0.000 0.517 331 G N -1.087 107.500 108.800 -0.356 0.000 2.663 331 G HA2 0.482 4.614 3.960 0.287 0.000 0.299 331 G HA3 0.482 4.614 3.960 0.287 0.000 0.299 331 G C -1.837 172.695 174.900 -0.613 0.000 1.372 331 G CA -0.625 44.145 45.100 -0.551 0.000 0.781 331 G HN -0.010 nan 8.290 nan 0.000 0.491 332 F N 0.006 119.976 119.950 0.034 0.000 2.467 332 F HA 0.550 5.247 4.527 0.283 0.000 0.336 332 F C -0.546 175.315 175.800 0.101 0.000 1.123 332 F CA -1.341 56.708 58.000 0.082 0.000 0.964 332 F CB 2.077 41.170 39.000 0.155 0.000 1.136 332 F HN 0.283 nan 8.300 nan 0.000 0.447 333 F N 3.187 123.142 119.950 0.008 0.000 2.387 333 F HA 0.662 5.367 4.527 0.296 0.000 0.332 333 F C 0.392 175.979 175.800 -0.355 0.000 1.174 333 F CA -1.014 56.886 58.000 -0.167 0.000 1.257 333 F CB -0.112 38.815 39.000 -0.122 0.000 1.569 333 F HN 0.474 nan 8.300 nan 0.000 0.554 334 G N 2.364 110.529 108.800 -1.059 0.000 2.389 334 G HA2 0.461 4.593 3.960 0.287 0.000 0.317 334 G HA3 0.461 4.593 3.960 0.287 0.000 0.317 334 G C -0.873 173.252 174.900 -1.292 0.000 1.137 334 G CA -0.655 43.698 45.100 -1.245 0.000 0.870 334 G HN 0.228 nan 8.290 nan 0.000 0.496 335 V N 1.696 121.194 119.914 -0.694 0.000 2.599 335 V HA 0.204 4.496 4.120 0.287 0.000 0.300 335 V C 1.462 177.246 176.094 -0.515 0.000 1.034 335 V CA 0.830 62.827 62.300 -0.506 0.000 1.115 335 V CB 0.782 32.442 31.823 -0.271 0.000 0.934 335 V HN 0.984 nan 8.190 nan 0.000 0.485 336 A N 7.491 129.977 122.820 -0.556 0.000 1.871 336 A HA 0.238 4.730 4.320 0.287 0.000 0.211 336 A C -1.398 175.497 177.584 -1.149 0.000 1.207 336 A CA 0.410 51.935 52.037 -0.852 0.000 0.620 336 A CB -0.965 17.452 19.000 -0.972 0.000 0.860 336 A HN 0.725 nan 8.150 nan 0.000 0.450 337 P HA 0.257 nan 4.420 nan 0.000 0.266 337 P C 0.882 178.059 177.300 -0.205 0.000 1.193 337 P CA 1.861 64.742 63.100 -0.365 0.000 0.770 337 P CB 0.413 32.022 31.700 -0.152 0.000 0.836 338 G N 1.243 110.049 108.800 0.010 0.000 2.205 338 G HA2 -0.234 3.899 3.960 0.287 0.000 0.261 338 G HA3 -0.234 3.899 3.960 0.287 0.000 0.261 338 G C 0.271 175.198 174.900 0.045 0.000 0.980 338 G CA 0.229 45.354 45.100 0.042 0.000 0.632 338 G HN 0.613 nan 8.290 nan 0.000 0.533 339 T N 1.864 116.453 114.554 0.058 0.000 2.761 339 T HA 0.585 5.108 4.350 0.287 0.000 0.296 339 T C 0.438 175.304 174.700 0.276 0.000 0.934 339 T CA 0.760 62.940 62.100 0.134 0.000 1.091 339 T CB 1.266 70.192 68.868 0.098 0.000 0.896 339 T HN 1.361 nan 8.240 nan 0.000 0.515 340 S N 1.661 117.407 115.700 0.077 0.000 2.705 340 S HA 0.425 5.067 4.470 0.287 0.000 0.280 340 S C 0.942 175.511 174.600 -0.051 0.000 1.174 340 S CA -0.851 57.355 58.200 0.010 0.000 0.823 340 S CB 0.840 64.007 63.200 -0.054 0.000 1.162 340 S HN 0.185 nan 8.310 nan 0.000 0.487 341 V N 1.761 121.635 119.914 -0.067 0.000 2.594 341 V HA -0.117 4.176 4.120 0.287 0.000 0.253 341 V C 2.349 178.374 176.094 -0.115 0.000 1.069 341 V CA 1.955 64.208 62.300 -0.079 0.000 1.082 341 V CB -1.056 30.727 31.823 -0.066 0.000 0.680 341 V HN 0.819 nan 8.190 nan 0.000 0.469 342 K N 0.416 120.718 120.400 -0.164 0.000 2.103 342 K HA -0.097 4.395 4.320 0.287 0.000 0.204 342 K C 2.160 178.546 176.600 -0.358 0.000 1.052 342 K CA 1.810 57.956 56.287 -0.234 0.000 0.945 342 K CB -0.288 32.051 32.500 -0.270 0.000 0.722 342 K HN 0.679 nan 8.250 nan 0.000 0.443 343 T N -2.416 111.891 114.554 -0.412 0.000 3.037 343 T HA 0.068 4.590 4.350 0.287 0.000 0.252 343 T C 0.718 175.347 174.700 -0.119 0.000 1.073 343 T CA 0.129 61.894 62.100 -0.559 0.000 1.091 343 T CB 0.223 68.692 68.868 -0.665 0.000 0.935 343 T HN -0.070 nan 8.240 nan 0.000 0.488 344 N N 1.168 119.820 118.700 -0.080 0.000 2.820 344 N HA 0.219 5.131 4.740 0.287 0.000 0.209 344 N C -2.618 172.866 175.510 -0.043 0.000 1.406 344 N CA -1.202 51.833 53.050 -0.025 0.000 0.916 344 N CB 1.366 39.862 38.487 0.014 0.000 1.532 344 N HN 0.027 nan 8.380 nan 0.000 0.559 345 P HA -0.059 nan 4.420 nan 0.000 0.218 345 P C 0.787 178.052 177.300 -0.058 0.000 1.149 345 P CA 0.955 64.023 63.100 -0.053 0.000 0.817 345 P CB 0.557 32.226 31.700 -0.051 0.000 0.785 346 N N 0.131 118.793 118.700 -0.063 0.000 2.331 346 N HA -0.050 4.863 4.740 0.287 0.000 0.180 346 N C 1.869 177.312 175.510 -0.111 0.000 1.019 346 N CA 1.214 54.218 53.050 -0.077 0.000 0.881 346 N CB -0.620 37.820 38.487 -0.077 0.000 0.972 346 N HN 0.115 nan 8.380 nan 0.000 0.435 347 A N 1.688 124.432 122.820 -0.128 0.000 1.898 347 A HA -0.060 4.432 4.320 0.287 0.000 0.216 347 A C 2.104 179.555 177.584 -0.222 0.000 1.181 347 A CA 0.725 52.631 52.037 -0.217 0.000 0.620 347 A CB -0.391 18.495 19.000 -0.191 0.000 0.819 347 A HN 0.080 nan 8.150 nan 0.000 0.442 348 I N 0.332 120.832 120.570 -0.116 0.000 2.194 348 I HA -0.282 4.060 4.170 0.287 0.000 0.246 348 I C 2.203 178.263 176.117 -0.095 0.000 1.093 348 I CA 1.838 63.092 61.300 -0.076 0.000 1.355 348 I CB -1.218 36.761 38.000 -0.035 0.000 1.046 348 I HN 0.411 nan 8.210 nan 0.000 0.413 349 K N -0.312 120.037 120.400 -0.087 0.000 2.057 349 K HA -0.153 4.340 4.320 0.287 0.000 0.207 349 K C 2.073 178.624 176.600 -0.081 0.000 1.049 349 K CA 1.750 57.995 56.287 -0.070 0.000 0.931 349 K CB -0.328 32.141 32.500 -0.052 0.000 0.714 349 K HN 0.205 nan 8.250 nan 0.000 0.440 350 T N 1.308 115.796 114.554 -0.109 0.000 3.067 350 T HA 0.095 4.618 4.350 0.287 0.000 0.257 350 T C 1.383 176.012 174.700 -0.119 0.000 1.105 350 T CA 0.079 62.125 62.100 -0.090 0.000 1.104 350 T CB 0.023 68.854 68.868 -0.060 0.000 0.925 350 T HN 0.300 nan 8.240 nan 0.000 0.498 351 I N -1.097 119.355 120.570 -0.196 0.000 3.749 351 I HA 0.300 4.643 4.170 0.287 0.000 0.314 351 I C 1.081 177.144 176.117 -0.091 0.000 1.267 351 I CA 0.161 61.340 61.300 -0.203 0.000 1.169 351 I CB -0.237 37.540 38.000 -0.371 0.000 1.009 351 I HN 0.078 nan 8.210 nan 0.000 0.444 352 Q N 2.518 122.241 119.800 -0.129 0.000 2.220 352 Q HA 0.229 4.742 4.340 0.287 0.000 0.205 352 Q C -0.241 175.753 176.000 -0.010 0.000 0.865 352 Q CA -0.031 55.654 55.803 -0.197 0.000 0.960 352 Q CB 0.453 29.075 28.738 -0.193 0.000 1.097 352 Q HN 0.646 nan 8.270 nan 0.000 0.493 353 K N -0.857 119.561 120.400 0.029 0.000 2.527 353 K HA 0.336 4.828 4.320 0.287 0.000 0.260 353 K C -0.658 176.005 176.600 0.104 0.000 0.937 353 K CA -0.866 55.472 56.287 0.085 0.000 0.826 353 K CB 1.124 33.669 32.500 0.076 0.000 1.359 353 K HN -0.197 nan 8.250 nan 0.000 0.434 354 N N 0.081 118.881 118.700 0.167 0.000 2.747 354 N HA -0.129 4.783 4.740 0.287 0.000 0.249 354 N C -1.252 174.381 175.510 0.204 0.000 1.107 354 N CA 1.503 54.684 53.050 0.218 0.000 0.707 354 N CB -1.356 37.236 38.487 0.176 0.000 1.054 354 N HN 0.803 nan 8.380 nan 0.000 0.555 355 T N 0.789 115.461 114.554 0.198 0.000 2.863 355 T HA 0.676 5.198 4.350 0.287 0.000 0.285 355 T C 0.651 175.446 174.700 0.159 0.000 1.009 355 T CA -0.476 61.660 62.100 0.060 0.000 0.989 355 T CB 1.965 70.744 68.868 -0.150 0.000 1.004 355 T HN 0.056 nan 8.240 nan 0.000 0.455 356 I N 3.037 123.654 120.570 0.080 0.000 2.354 356 I HA 0.458 4.801 4.170 0.287 0.000 0.292 356 I C -0.847 175.305 176.117 0.058 0.000 0.989 356 I CA -0.696 60.733 61.300 0.215 0.000 1.188 356 I CB 1.008 39.122 38.000 0.190 0.000 1.342 356 I HN 0.495 nan 8.210 nan 0.000 0.457 357 F N 3.102 123.242 119.950 0.318 0.000 2.458 357 F HA 0.510 5.211 4.527 0.291 0.000 0.330 357 F C 0.399 176.361 175.800 0.270 0.000 1.082 357 F CA -0.484 57.684 58.000 0.280 0.000 0.995 357 F CB 2.052 41.230 39.000 0.297 0.000 1.170 357 F HN 0.240 nan 8.300 nan 0.000 0.478 358 T N 2.776 117.548 114.554 0.363 0.000 2.881 358 T HA 0.256 4.779 4.350 0.287 0.000 0.291 358 T C -0.434 174.376 174.700 0.183 0.000 0.990 358 T CA -0.806 61.447 62.100 0.255 0.000 0.976 358 T CB 0.817 69.799 68.868 0.191 0.000 0.970 358 T HN 0.628 nan 8.240 nan 0.000 0.438 359 N N 0.111 118.923 118.700 0.187 0.000 2.829 359 N HA -0.138 4.775 4.740 0.287 0.000 0.250 359 N C 0.157 175.764 175.510 0.162 0.000 1.090 359 N CA 1.140 54.293 53.050 0.171 0.000 0.781 359 N CB -1.885 36.551 38.487 -0.085 0.000 1.124 359 N HN 0.682 nan 8.380 nan 0.000 0.559 360 V N -2.946 117.115 119.914 0.245 0.000 3.262 360 V HA 0.912 5.205 4.120 0.287 0.000 0.313 360 V C 0.964 177.208 176.094 0.251 0.000 1.070 360 V CA -0.451 62.013 62.300 0.273 0.000 1.049 360 V CB 1.519 33.599 31.823 0.428 0.000 1.157 360 V HN 0.282 nan 8.190 nan 0.000 0.454 361 A N 0.755 123.693 122.820 0.197 0.000 2.304 361 A HA 0.610 5.102 4.320 0.287 0.000 0.271 361 A C 0.013 177.647 177.584 0.083 0.000 1.091 361 A CA -0.439 51.662 52.037 0.107 0.000 0.812 361 A CB 0.492 19.491 19.000 -0.001 0.000 1.056 361 A HN 1.039 nan 8.150 nan 0.000 0.489 362 E N 0.305 120.534 120.200 0.048 0.000 2.187 362 E HA 0.480 5.003 4.350 0.287 0.000 0.268 362 E C -0.299 176.284 176.600 -0.027 0.000 0.896 362 E CA -0.552 55.854 56.400 0.011 0.000 0.766 362 E CB 1.248 30.961 29.700 0.023 0.000 1.142 362 E HN 0.773 nan 8.360 nan 0.000 0.408 363 T N 0.515 115.029 114.554 -0.067 0.000 2.918 363 T HA 0.144 4.666 4.350 0.287 0.000 0.283 363 T C 1.253 175.898 174.700 -0.092 0.000 1.001 363 T CA -0.164 61.873 62.100 -0.105 0.000 1.041 363 T CB 1.496 70.276 68.868 -0.146 0.000 1.028 363 T HN 0.433 nan 8.240 nan 0.000 0.511 364 S N 0.084 115.732 115.700 -0.087 0.000 2.474 364 S HA -0.105 4.538 4.470 0.287 0.000 0.235 364 S C 1.038 175.586 174.600 -0.086 0.000 0.997 364 S CA 0.695 58.853 58.200 -0.070 0.000 0.949 364 S CB -0.605 62.559 63.200 -0.059 0.000 0.766 364 S HN 0.900 nan 8.310 nan 0.000 0.517 365 D N 0.300 120.633 120.400 -0.112 0.000 2.358 365 D HA 0.305 5.117 4.640 0.287 0.000 0.224 365 D C 1.166 177.357 176.300 -0.182 0.000 1.123 365 D CA 0.250 54.172 54.000 -0.130 0.000 0.833 365 D CB -0.562 40.161 40.800 -0.129 0.000 0.946 365 D HN 0.503 nan 8.370 nan 0.000 0.505 366 G N -0.882 107.813 108.800 -0.175 0.000 2.137 366 G HA2 -0.091 4.042 3.960 0.287 0.000 0.237 366 G HA3 -0.091 4.042 3.960 0.287 0.000 0.237 366 G C 0.501 175.197 174.900 -0.340 0.000 1.002 366 G CA -0.110 44.861 45.100 -0.215 0.000 0.702 366 G HN 0.801 nan 8.290 nan 0.000 0.515 367 G N -1.613 107.007 108.800 -0.300 0.000 2.795 367 G HA2 0.928 5.061 3.960 0.287 0.000 0.267 367 G HA3 0.928 5.061 3.960 0.287 0.000 0.267 367 G C 0.093 174.953 174.900 -0.066 0.000 1.362 367 G CA 0.165 45.090 45.100 -0.292 0.000 1.048 367 G HN 1.539 nan 8.290 nan 0.000 0.547 368 V N -3.007 116.911 119.914 0.007 0.000 2.769 368 V HA 0.853 5.145 4.120 0.287 0.000 0.312 368 V C -1.151 174.822 176.094 -0.202 0.000 1.058 368 V CA -1.115 61.096 62.300 -0.147 0.000 0.952 368 V CB 1.549 33.137 31.823 -0.391 0.000 1.019 368 V HN 0.697 nan 8.190 nan 0.000 0.445 369 Y N 2.500 122.593 120.300 -0.345 0.000 2.597 369 Y HA 0.842 5.565 4.550 0.288 0.000 0.340 369 Y C -1.343 174.441 175.900 -0.194 0.000 1.097 369 Y CA -0.989 56.824 58.100 -0.479 0.000 1.037 369 Y CB 2.335 40.632 38.460 -0.271 0.000 1.305 369 Y HN 1.095 nan 8.280 nan 0.000 0.463 370 W N 0.713 121.808 121.300 -0.343 0.000 3.059 370 W HA 0.607 5.443 4.660 0.294 0.000 0.329 370 W C -1.545 174.803 176.519 -0.286 0.000 1.246 370 W CA -1.077 56.131 57.345 -0.228 0.000 1.190 370 W CB 0.132 29.511 29.460 -0.136 0.000 1.423 370 W HN 0.346 nan 8.180 nan 0.000 0.571 371 E N 0.863 121.143 120.200 0.133 0.000 2.442 371 E HA 0.387 4.910 4.350 0.287 0.000 0.262 371 E C 1.217 177.916 176.600 0.165 0.000 1.004 371 E CA 2.270 58.728 56.400 0.097 0.000 0.928 371 E CB 0.308 30.060 29.700 0.086 0.000 0.937 371 E HN 1.186 nan 8.360 nan 0.000 0.446 372 G N 2.664 111.511 108.800 0.079 0.000 2.184 372 G HA2 -0.355 3.778 3.960 0.287 0.000 0.264 372 G HA3 -0.355 3.778 3.960 0.287 0.000 0.264 372 G C 0.921 175.856 174.900 0.059 0.000 0.975 372 G CA 0.416 45.561 45.100 0.075 0.000 0.642 372 G HN 0.615 nan 8.290 nan 0.000 0.536 373 I N -0.082 120.435 120.570 -0.088 0.000 2.394 373 I HA 0.001 4.344 4.170 0.287 0.000 0.251 373 I C 1.367 177.372 176.117 -0.186 0.000 1.136 373 I CA 1.705 62.850 61.300 -0.259 0.000 1.425 373 I CB -0.016 37.374 38.000 -1.016 0.000 1.079 373 I HN 0.209 nan 8.210 nan 0.000 0.425 374 D N 2.261 122.569 120.400 -0.153 0.000 2.772 374 D HA -0.253 4.559 4.640 0.287 0.000 0.233 374 D C -0.019 176.239 176.300 -0.071 0.000 1.143 374 D CA 1.023 54.976 54.000 -0.079 0.000 0.700 374 D CB -0.897 39.861 40.800 -0.070 0.000 1.076 374 D HN 0.732 nan 8.370 nan 0.000 0.430 375 E N 0.415 120.568 120.200 -0.077 0.000 2.283 375 E HA 0.394 4.916 4.350 0.287 0.000 0.258 375 E C -2.496 174.146 176.600 0.070 0.000 0.893 375 E CA -1.547 54.837 56.400 -0.028 0.000 0.798 375 E CB 1.587 31.246 29.700 -0.067 0.000 1.242 375 E HN -0.043 nan 8.360 nan 0.000 0.414 376 P HA 0.174 nan 4.420 nan 0.000 0.274 376 P C -0.525 176.811 177.300 0.059 0.000 1.246 376 P CA -0.329 62.823 63.100 0.087 0.000 0.795 376 P CB 1.077 32.800 31.700 0.038 0.000 1.006 377 L N 0.416 121.643 121.223 0.006 0.000 2.344 377 L HA 0.549 5.062 4.340 0.287 0.000 0.272 377 L C 0.889 177.730 176.870 -0.049 0.000 1.035 377 L CA -1.236 53.569 54.840 -0.058 0.000 0.807 377 L CB 1.225 43.180 42.059 -0.175 0.000 1.237 377 L HN 0.431 nan 8.230 nan 0.000 0.442 378 A N 2.682 125.472 122.820 -0.051 0.000 2.466 378 A HA 0.382 4.874 4.320 0.287 0.000 0.238 378 A C -2.257 175.299 177.584 -0.047 0.000 1.074 378 A CA -0.913 51.099 52.037 -0.042 0.000 0.774 378 A CB -0.671 18.304 19.000 -0.042 0.000 1.015 378 A HN 0.459 nan 8.150 nan 0.000 0.498 379 P HA 0.244 nan 4.420 nan 0.000 0.264 379 P C 1.083 178.358 177.300 -0.042 0.000 1.183 379 P CA 1.900 64.977 63.100 -0.038 0.000 0.763 379 P CB 0.561 32.243 31.700 -0.030 0.000 0.807 380 G N 1.043 109.816 108.800 -0.045 0.000 2.279 380 G HA2 -0.216 3.916 3.960 0.287 0.000 0.223 380 G HA3 -0.216 3.916 3.960 0.287 0.000 0.223 380 G C 0.058 174.925 174.900 -0.055 0.000 1.015 380 G CA -0.146 44.927 45.100 -0.046 0.000 0.621 380 G HN 0.549 nan 8.290 nan 0.000 0.506 381 V N 3.144 123.017 119.914 -0.069 0.000 2.555 381 V HA 0.572 4.865 4.120 0.287 0.000 0.286 381 V C 1.073 177.112 176.094 -0.092 0.000 1.044 381 V CA 0.622 62.871 62.300 -0.086 0.000 1.026 381 V CB 1.092 32.849 31.823 -0.109 0.000 0.981 381 V HN 0.845 nan 8.190 nan 0.000 0.480 382 T N 2.939 117.446 114.554 -0.077 0.000 2.938 382 T HA 0.812 5.334 4.350 0.287 0.000 0.285 382 T C -0.597 174.070 174.700 -0.055 0.000 1.028 382 T CA -0.782 61.286 62.100 -0.053 0.000 1.005 382 T CB 1.776 70.628 68.868 -0.027 0.000 1.157 382 T HN 0.304 nan 8.240 nan 0.000 0.550 383 I N 0.885 121.461 120.570 0.011 0.000 2.465 383 I HA 0.362 4.705 4.170 0.287 0.000 0.291 383 I C -0.248 175.934 176.117 0.107 0.000 1.014 383 I CA -0.768 60.561 61.300 0.048 0.000 1.093 383 I CB 2.406 40.495 38.000 0.149 0.000 1.267 383 I HN 0.668 nan 8.210 nan 0.000 0.431 384 T N 4.380 118.972 114.554 0.064 0.000 2.749 384 T HA 0.267 4.790 4.350 0.287 0.000 0.287 384 T C 0.295 175.034 174.700 0.065 0.000 0.970 384 T CA -0.585 61.560 62.100 0.076 0.000 0.980 384 T CB 1.001 69.897 68.868 0.045 0.000 0.924 384 T HN 0.747 nan 8.240 nan 0.000 0.456 385 S N 3.897 119.643 115.700 0.078 0.000 2.606 385 S HA 0.091 4.733 4.470 0.287 0.000 0.257 385 S C 1.554 176.187 174.600 0.054 0.000 1.327 385 S CA -0.858 57.342 58.200 0.000 0.000 0.984 385 S CB 0.316 63.507 63.200 -0.015 0.000 0.941 385 S HN 0.910 nan 8.310 nan 0.000 0.576 386 W N 0.524 121.802 121.300 -0.036 0.000 2.611 386 W HA 0.082 4.916 4.660 0.290 0.000 0.251 386 W C 0.424 176.951 176.519 0.013 0.000 1.265 386 W CA 0.462 57.811 57.345 0.007 0.000 1.295 386 W CB -0.838 28.636 29.460 0.023 0.000 1.129 386 W HN 0.648 nan 8.180 nan 0.000 0.630 387 K N 1.153 121.109 120.400 -0.739 0.000 2.417 387 K HA -0.062 4.430 4.320 0.287 0.000 0.196 387 K C 0.352 176.776 176.600 -0.292 0.000 1.023 387 K CA 0.214 56.072 56.287 -0.715 0.000 1.122 387 K CB -0.458 31.622 32.500 -0.700 0.000 0.850 387 K HN -0.099 nan 8.250 nan 0.000 0.521 388 N N 1.853 120.464 118.700 -0.148 0.000 2.754 388 N HA -0.161 4.751 4.740 0.287 0.000 0.248 388 N C -1.491 174.000 175.510 -0.033 0.000 1.093 388 N CA 0.934 53.954 53.050 -0.051 0.000 0.699 388 N CB -0.871 37.594 38.487 -0.037 0.000 1.016 388 N HN 0.243 nan 8.380 nan 0.000 0.552 389 K N 0.269 120.660 120.400 -0.016 0.000 2.375 389 K HA 0.258 4.750 4.320 0.287 0.000 0.249 389 K C -0.274 176.373 176.600 0.078 0.000 0.942 389 K CA -0.803 55.496 56.287 0.019 0.000 0.806 389 K CB 1.792 34.302 32.500 0.018 0.000 1.227 389 K HN 0.226 nan 8.250 nan 0.000 0.430 390 E N 1.655 121.896 120.200 0.068 0.000 2.502 390 E HA -0.096 4.427 4.350 0.287 0.000 0.261 390 E C -1.328 175.375 176.600 0.171 0.000 0.974 390 E CA 0.444 56.900 56.400 0.093 0.000 0.936 390 E CB 0.555 30.281 29.700 0.043 0.000 0.926 390 E HN 0.396 nan 8.360 nan 0.000 0.459 391 W N 3.783 125.076 121.300 -0.012 0.000 3.022 391 W HA 0.416 5.250 4.660 0.290 0.000 0.335 391 W C -1.158 175.357 176.519 -0.006 0.000 1.133 391 W CA -0.619 56.728 57.345 0.003 0.000 1.219 391 W CB 1.179 30.660 29.460 0.034 0.000 1.409 391 W HN 0.490 nan 8.180 nan 0.000 0.507 392 R N 4.508 124.557 120.500 -0.751 0.000 2.808 392 R HA 0.389 4.902 4.340 0.287 0.000 0.272 392 R C -2.166 173.160 176.300 -1.622 0.000 0.995 392 R CA -1.826 53.755 56.100 -0.864 0.000 0.917 392 R CB 1.450 31.509 30.300 -0.402 0.000 1.217 392 R HN 0.123 nan 8.270 nan 0.000 0.471 393 P HA -0.232 nan 4.420 nan 0.000 0.218 393 P C 0.489 177.571 177.300 -0.363 0.000 1.146 393 P CA 1.478 64.220 63.100 -0.598 0.000 0.820 393 P CB 0.226 31.818 31.700 -0.179 0.000 0.778 394 Q N -1.046 118.547 119.800 -0.345 0.000 2.378 394 Q HA -0.039 4.474 4.340 0.287 0.000 0.205 394 Q C 0.060 175.937 176.000 -0.206 0.000 0.954 394 Q CA 0.315 55.992 55.803 -0.209 0.000 0.901 394 Q CB -0.515 28.126 28.738 -0.162 0.000 0.981 394 Q HN 0.376 nan 8.270 nan 0.000 0.483 395 D N 1.461 121.658 120.400 -0.338 0.000 2.472 395 D HA -0.043 4.769 4.640 0.287 0.000 0.237 395 D C 0.465 176.713 176.300 -0.086 0.000 1.141 395 D CA 0.320 54.181 54.000 -0.233 0.000 0.875 395 D CB 0.692 41.269 40.800 -0.373 0.000 1.192 395 D HN -0.019 nan 8.370 nan 0.000 0.450 396 E N 0.215 120.426 120.200 0.019 0.000 2.442 396 E HA -0.014 4.508 4.350 0.287 0.000 0.195 396 E C 0.135 176.837 176.600 0.169 0.000 1.030 396 E CA 0.232 56.675 56.400 0.072 0.000 0.869 396 E CB 0.131 29.861 29.700 0.050 0.000 0.857 396 E HN 0.640 nan 8.360 nan 0.000 0.505 397 E N 0.366 120.717 120.200 0.251 0.000 2.250 397 E HA 0.360 4.883 4.350 0.287 0.000 0.265 397 E C -2.286 174.604 176.600 0.483 0.000 1.033 397 E CA -2.311 54.273 56.400 0.308 0.000 0.888 397 E CB 0.655 30.525 29.700 0.284 0.000 1.151 397 E HN -0.173 nan 8.360 nan 0.000 0.412 398 P HA -0.003 nan 4.420 nan 0.000 0.277 398 P C 0.751 178.080 177.300 0.049 0.000 1.240 398 P CA -0.572 62.666 63.100 0.229 0.000 0.798 398 P CB 0.992 32.745 31.700 0.089 0.000 0.979 399 C N 0.246 119.234 119.300 -0.520 0.000 2.446 399 C HA 0.428 5.060 4.460 0.287 0.000 0.279 399 C C 1.092 176.021 174.990 -0.101 0.000 1.366 399 C CA 0.346 58.801 59.018 -0.937 0.000 1.763 399 C CB -1.397 25.291 27.740 -1.754 0.000 1.929 399 C HN 0.613 nan 8.230 nan 0.000 0.509 400 A N -0.046 122.749 122.820 -0.042 0.000 2.380 400 A HA 0.579 5.072 4.320 0.287 0.000 0.315 400 A C -0.429 176.915 177.584 -0.400 0.000 1.101 400 A CA -0.389 51.612 52.037 -0.059 0.000 0.771 400 A CB 0.161 19.188 19.000 0.046 0.000 1.287 400 A HN 0.600 nan 8.150 nan 0.000 0.436 401 H N 1.702 120.141 119.070 -1.052 0.000 2.815 401 H HA 0.124 4.852 4.556 0.287 0.000 0.350 401 H C -1.861 173.154 175.328 -0.521 0.000 1.080 401 H CA -0.891 54.471 56.048 -1.144 0.000 1.433 401 H CB 1.327 30.157 29.762 -1.552 0.000 1.432 401 H HN 0.249 nan 8.280 nan 0.000 0.592 402 P HA -0.083 nan 4.420 nan 0.000 0.226 402 P C 0.598 177.748 177.300 -0.249 0.000 1.153 402 P CA 1.162 64.001 63.100 -0.436 0.000 0.777 402 P CB 0.258 31.713 31.700 -0.408 0.000 0.794 403 N N -1.025 117.625 118.700 -0.084 0.000 2.238 403 N HA 0.011 4.923 4.740 0.287 0.000 0.222 403 N C -0.331 175.163 175.510 -0.026 0.000 1.133 403 N CA -0.175 52.876 53.050 0.000 0.000 0.854 403 N CB -0.155 38.354 38.487 0.036 0.000 1.041 403 N HN -0.065 nan 8.380 nan 0.000 0.510 404 S N -0.203 115.447 115.700 -0.084 0.000 2.573 404 S HA 0.297 4.940 4.470 0.287 0.000 0.277 404 S C 0.146 174.622 174.600 -0.206 0.000 1.346 404 S CA -0.337 57.803 58.200 -0.099 0.000 1.034 404 S CB 1.137 64.274 63.200 -0.105 0.000 0.879 404 S HN 0.118 nan 8.310 nan 0.000 0.528 405 R N 0.603 120.975 120.500 -0.214 0.000 2.837 405 R HA 0.514 5.026 4.340 0.287 0.000 0.271 405 R C -0.943 175.189 176.300 -0.280 0.000 0.993 405 R CA -0.691 55.101 56.100 -0.514 0.000 0.931 405 R CB 1.417 31.112 30.300 -1.009 0.000 1.206 405 R HN 0.787 nan 8.270 nan 0.000 0.474 406 F N -1.245 118.493 119.950 -0.353 0.000 2.432 406 F HA 0.676 5.379 4.527 0.294 0.000 0.329 406 F C -0.155 175.493 175.800 -0.254 0.000 1.076 406 F CA -1.380 56.367 58.000 -0.422 0.000 1.018 406 F CB 1.152 39.826 39.000 -0.543 0.000 1.201 406 F HN 0.317 nan 8.300 nan 0.000 0.489 407 C N 3.091 122.436 119.300 0.075 0.000 2.407 407 C HA 0.739 5.371 4.460 0.287 0.000 0.328 407 C C -0.640 174.409 174.990 0.098 0.000 1.137 407 C CA 0.088 59.211 59.018 0.176 0.000 1.390 407 C CB -0.090 27.759 27.740 0.181 0.000 1.989 407 C HN 1.101 nan 8.230 nan 0.000 0.432 408 T N 6.614 121.258 114.554 0.150 0.000 2.900 408 T HA 0.641 5.163 4.350 0.287 0.000 0.295 408 T C -2.965 171.715 174.700 -0.034 0.000 1.044 408 T CA -1.062 61.078 62.100 0.067 0.000 0.995 408 T CB 1.916 70.837 68.868 0.088 0.000 1.072 408 T HN 0.470 nan 8.240 nan 0.000 0.473 409 P HA 0.266 nan 4.420 nan 0.000 0.271 409 P C -0.075 177.045 177.300 -0.299 0.000 1.216 409 P CA -0.128 62.875 63.100 -0.162 0.000 0.771 409 P CB 0.628 32.279 31.700 -0.081 0.000 0.864 410 A N 3.057 125.528 122.820 -0.582 0.000 2.014 410 A HA -0.129 4.364 4.320 0.287 0.000 0.218 410 A C 2.022 179.191 177.584 -0.693 0.000 1.163 410 A CA 1.854 53.312 52.037 -0.965 0.000 0.652 410 A CB -1.402 16.718 19.000 -1.467 0.000 0.808 410 A HN 0.571 nan 8.150 nan 0.000 0.449 411 S N -0.456 114.995 115.700 -0.415 0.000 2.474 411 S HA -0.172 4.470 4.470 0.287 0.000 0.235 411 S C 1.647 176.184 174.600 -0.104 0.000 0.997 411 S CA 1.191 59.292 58.200 -0.165 0.000 0.949 411 S CB -0.401 62.861 63.200 0.103 0.000 0.766 411 S HN 0.696 nan 8.310 nan 0.000 0.517 412 Q N -0.007 119.738 119.800 -0.091 0.000 2.389 412 Q HA 0.157 4.670 4.340 0.287 0.000 0.204 412 Q C 0.959 176.944 176.000 -0.026 0.000 0.944 412 Q CA 0.214 55.997 55.803 -0.034 0.000 0.908 412 Q CB -0.093 28.635 28.738 -0.017 0.000 1.002 412 Q HN 0.689 nan 8.270 nan 0.000 0.493 413 C N 2.580 121.867 119.300 -0.022 0.000 2.653 413 C HA 0.119 4.751 4.460 0.287 0.000 0.421 413 C C -1.054 173.922 174.990 -0.023 0.000 1.334 413 C CA -1.604 57.419 59.018 0.008 0.000 1.885 413 C CB 0.528 28.318 27.740 0.084 0.000 2.645 413 C HN 0.315 nan 8.230 nan 0.000 0.601 414 P HA 0.006 nan 4.420 nan 0.000 0.233 414 P C 0.569 177.864 177.300 -0.009 0.000 1.167 414 P CA 1.228 64.320 63.100 -0.014 0.000 0.770 414 P CB -0.234 31.456 31.700 -0.017 0.000 0.837 415 I N -4.629 115.931 120.570 -0.016 0.000 3.856 415 I HA 0.338 4.681 4.170 0.287 0.000 0.330 415 I C 0.397 176.516 176.117 0.003 0.000 1.546 415 I CA -1.014 60.284 61.300 -0.003 0.000 1.132 415 I CB -0.197 37.798 38.000 -0.008 0.000 1.157 415 I HN -0.337 nan 8.210 nan 0.000 0.440 416 I N 2.418 122.974 120.570 -0.023 0.000 2.710 416 I HA 0.020 4.362 4.170 0.287 0.000 0.286 416 I C 0.469 176.620 176.117 0.055 0.000 1.181 416 I CA 0.492 61.752 61.300 -0.066 0.000 1.430 416 I CB 0.324 38.147 38.000 -0.296 0.000 1.367 416 I HN 0.324 nan 8.210 nan 0.000 0.577 417 D N 8.616 129.108 120.400 0.153 0.000 2.382 417 D HA 0.169 4.982 4.640 0.287 0.000 0.245 417 D C -1.640 174.860 176.300 0.334 0.000 1.120 417 D CA -1.070 53.082 54.000 0.254 0.000 0.890 417 D CB 1.046 42.055 40.800 0.349 0.000 1.201 417 D HN 0.366 nan 8.370 nan 0.000 0.433 418 P HA -0.022 nan 4.420 nan 0.000 0.234 418 P C 0.010 177.431 177.300 0.202 0.000 1.167 418 P CA 0.506 63.745 63.100 0.232 0.000 0.763 418 P CB 0.231 32.022 31.700 0.152 0.000 0.835 419 A N -0.413 122.542 122.820 0.224 0.000 2.500 419 A HA 0.110 4.603 4.320 0.287 0.000 0.267 419 A C 1.557 179.192 177.584 0.086 0.000 1.290 419 A CA -0.694 51.405 52.037 0.103 0.000 0.928 419 A CB -1.280 17.765 19.000 0.076 0.000 1.066 419 A HN 0.307 nan 8.150 nan 0.000 0.516 420 W N 0.524 121.852 121.300 0.046 0.000 2.525 420 W HA 0.030 4.857 4.660 0.279 0.000 0.259 420 W C -0.144 176.364 176.519 -0.018 0.000 1.253 420 W CA 1.154 58.516 57.345 0.028 0.000 1.262 420 W CB -0.222 29.274 29.460 0.059 0.000 1.122 420 W HN 0.484 nan 8.180 nan 0.000 0.607 421 E N 1.050 120.728 120.200 -0.869 0.000 2.624 421 E HA 0.097 4.620 4.350 0.287 0.000 0.210 421 E C -0.108 176.236 176.600 -0.428 0.000 0.997 421 E CA -0.119 55.764 56.400 -0.861 0.000 0.999 421 E CB 0.629 29.742 29.700 -0.979 0.000 1.040 421 E HN -0.091 nan 8.360 nan 0.000 0.469 422 S N 3.330 118.868 115.700 -0.270 0.000 2.510 422 S HA 0.057 4.700 4.470 0.287 0.000 0.279 422 S C -1.321 173.182 174.600 -0.162 0.000 1.284 422 S CA -0.995 57.101 58.200 -0.174 0.000 1.059 422 S CB 0.787 63.918 63.200 -0.116 0.000 0.901 422 S HN 0.174 nan 8.310 nan 0.000 0.491 423 P HA -0.064 nan 4.420 nan 0.000 0.222 423 P C 0.547 177.786 177.300 -0.102 0.000 1.147 423 P CA 0.884 63.911 63.100 -0.122 0.000 0.790 423 P CB 0.280 31.918 31.700 -0.103 0.000 0.780 424 E N -0.335 119.809 120.200 -0.093 0.000 2.435 424 E HA 0.231 4.753 4.350 0.287 0.000 0.195 424 E C 1.268 177.815 176.600 -0.089 0.000 1.029 424 E CA 0.718 57.070 56.400 -0.079 0.000 0.865 424 E CB -0.647 29.014 29.700 -0.065 0.000 0.833 424 E HN 0.271 nan 8.360 nan 0.000 0.510 425 G N -0.142 108.593 108.800 -0.109 0.000 2.828 425 G HA2 -0.193 3.940 3.960 0.287 0.000 0.463 425 G HA3 -0.193 3.940 3.960 0.287 0.000 0.463 425 G C -0.195 174.599 174.900 -0.177 0.000 1.394 425 G CA -0.409 44.617 45.100 -0.124 0.000 0.862 425 G HN 0.607 nan 8.290 nan 0.000 0.540 426 V N -2.466 117.296 119.914 -0.253 0.000 2.628 426 V HA 0.890 5.182 4.120 0.287 0.000 0.306 426 V C -2.255 173.668 176.094 -0.284 0.000 1.045 426 V CA -2.010 60.009 62.300 -0.469 0.000 0.905 426 V CB 2.316 33.461 31.823 -1.129 0.000 0.997 426 V HN 0.904 nan 8.190 nan 0.000 0.436 427 P HA 0.412 nan 4.420 nan 0.000 0.287 427 P C -0.728 176.604 177.300 0.052 0.000 1.294 427 P CA -0.190 62.895 63.100 -0.026 0.000 0.776 427 P CB 1.035 32.748 31.700 0.021 0.000 0.889 428 I N 4.021 124.622 120.570 0.051 0.000 2.371 428 I HA 0.157 4.499 4.170 0.287 0.000 0.290 428 I C 1.399 177.580 176.117 0.107 0.000 1.028 428 I CA 0.081 61.444 61.300 0.104 0.000 1.345 428 I CB 0.490 38.538 38.000 0.080 0.000 1.407 428 I HN 0.431 nan 8.210 nan 0.000 0.501 429 E N 3.614 123.887 120.200 0.120 0.000 2.447 429 E HA 0.247 4.769 4.350 0.287 0.000 0.204 429 E C 0.728 177.407 176.600 0.132 0.000 0.977 429 E CA -0.087 56.370 56.400 0.095 0.000 0.950 429 E CB 1.201 30.924 29.700 0.039 0.000 0.975 429 E HN 0.793 nan 8.360 nan 0.000 0.496 430 G N 0.958 109.858 108.800 0.167 0.000 2.706 430 G HA2 0.611 4.744 3.960 0.287 0.000 0.297 430 G HA3 0.611 4.744 3.960 0.287 0.000 0.297 430 G C -1.258 173.751 174.900 0.182 0.000 1.403 430 G CA -0.603 44.641 45.100 0.241 0.000 0.954 430 G HN -0.048 nan 8.290 nan 0.000 0.500 431 I N 1.330 121.984 120.570 0.139 0.000 2.465 431 I HA 0.439 4.781 4.170 0.287 0.000 0.291 431 I C -0.622 175.396 176.117 -0.164 0.000 1.014 431 I CA -0.754 60.524 61.300 -0.036 0.000 1.093 431 I CB 2.220 40.196 38.000 -0.040 0.000 1.267 431 I HN 0.208 nan 8.210 nan 0.000 0.431 432 I N 5.835 126.248 120.570 -0.261 0.000 2.389 432 I HA 0.393 4.735 4.170 0.287 0.000 0.288 432 I C -0.762 175.109 176.117 -0.410 0.000 0.999 432 I CA -0.426 60.753 61.300 -0.201 0.000 1.129 432 I CB 1.169 39.144 38.000 -0.041 0.000 1.288 432 I HN 0.273 nan 8.210 nan 0.000 0.444 433 F N 3.286 123.195 119.950 -0.069 0.000 2.450 433 F HA 0.886 5.582 4.527 0.281 0.000 0.328 433 F C 0.858 176.467 175.800 -0.317 0.000 1.068 433 F CA -0.780 57.139 58.000 -0.135 0.000 1.007 433 F CB 1.892 40.795 39.000 -0.161 0.000 1.251 433 F HN 0.494 nan 8.300 nan 0.000 0.492 434 G N -0.719 108.053 108.800 -0.046 0.000 2.355 434 G HA2 0.540 4.672 3.960 0.287 0.000 0.296 434 G HA3 0.540 4.672 3.960 0.287 0.000 0.296 434 G C -1.277 173.435 174.900 -0.313 0.000 1.507 434 G CA -0.055 44.690 45.100 -0.591 0.000 0.823 434 G HN 1.050 nan 8.290 nan 0.000 0.569 435 G N -0.994 107.589 108.800 -0.362 0.000 2.650 435 G HA2 0.618 4.751 3.960 0.287 0.000 0.310 435 G HA3 0.618 4.751 3.960 0.287 0.000 0.310 435 G C -1.337 173.412 174.900 -0.252 0.000 1.270 435 G CA -0.937 44.005 45.100 -0.264 0.000 0.810 435 G HN 0.593 nan 8.290 nan 0.000 0.493 436 R N 0.875 121.162 120.500 -0.355 0.000 2.196 436 R HA 0.498 5.010 4.340 0.287 0.000 0.340 436 R C -0.652 175.570 176.300 -0.129 0.000 1.043 436 R CA -0.472 55.365 56.100 -0.438 0.000 0.883 436 R CB 0.847 30.745 30.300 -0.671 0.000 1.078 436 R HN 0.088 nan 8.270 nan 0.000 0.462 437 R N 4.056 124.571 120.500 0.024 0.000 2.422 437 R HA 0.201 4.714 4.340 0.287 0.000 0.307 437 R C -2.050 174.290 176.300 0.066 0.000 1.004 437 R CA -2.314 53.803 56.100 0.028 0.000 0.882 437 R CB 1.576 31.902 30.300 0.044 0.000 1.164 437 R HN 0.422 nan 8.270 nan 0.000 0.489 438 P HA 0.004 nan 4.420 nan 0.000 0.225 438 P C -0.110 177.188 177.300 -0.004 0.000 1.156 438 P CA 0.665 63.803 63.100 0.062 0.000 0.787 438 P CB 0.647 32.361 31.700 0.025 0.000 0.802 439 A N -1.607 121.177 122.820 -0.061 0.000 2.469 439 A HA 0.670 5.162 4.320 0.287 0.000 0.299 439 A C 0.998 178.260 177.584 -0.537 0.000 1.098 439 A CA -0.032 51.890 52.037 -0.193 0.000 0.737 439 A CB 1.118 20.065 19.000 -0.087 0.000 1.312 439 A HN 0.174 nan 8.150 nan 0.000 0.414 440 G N -0.674 107.617 108.800 -0.849 0.000 2.417 440 G HA2 -0.181 3.951 3.960 0.287 0.000 0.233 440 G HA3 -0.181 3.951 3.960 0.287 0.000 0.233 440 G C 0.306 174.764 174.900 -0.736 0.000 1.103 440 G CA 0.378 44.422 45.100 -1.760 0.000 0.647 440 G HN 1.646 nan 8.290 nan 0.000 0.512 441 V N 4.798 124.497 119.914 -0.359 0.000 2.364 441 V HA 0.489 4.781 4.120 0.287 0.000 0.272 441 V C -1.022 175.128 176.094 0.093 0.000 1.036 441 V CA -1.119 61.238 62.300 0.096 0.000 0.880 441 V CB 1.495 33.422 31.823 0.174 0.000 0.991 441 V HN 0.366 nan 8.190 nan 0.000 0.460 442 P HA 0.071 nan 4.420 nan 0.000 0.274 442 P C 0.915 178.206 177.300 -0.015 0.000 1.260 442 P CA -0.411 62.704 63.100 0.026 0.000 0.793 442 P CB 1.174 32.915 31.700 0.069 0.000 1.048 443 L N 1.171 122.255 121.223 -0.233 0.000 2.043 443 L HA -0.060 4.453 4.340 0.287 0.000 0.212 443 L C 0.740 177.511 176.870 -0.166 0.000 1.075 443 L CA 2.019 56.666 54.840 -0.322 0.000 0.752 443 L CB -0.307 41.345 42.059 -0.679 0.000 0.891 443 L HN 0.274 nan 8.230 nan 0.000 0.432 444 V N -0.992 118.896 119.914 -0.043 0.000 2.969 444 V HA 0.447 4.739 4.120 0.287 0.000 0.304 444 V C -1.614 174.602 176.094 0.203 0.000 1.192 444 V CA -0.612 61.701 62.300 0.022 0.000 0.962 444 V CB 1.927 33.722 31.823 -0.047 0.000 1.045 444 V HN 0.360 nan 8.190 nan 0.000 0.428 445 Y N 2.359 122.802 120.300 0.238 0.000 2.644 445 Y HA 0.824 5.547 4.550 0.289 0.000 0.338 445 Y C -0.857 175.364 175.900 0.534 0.000 1.119 445 Y CA -1.024 57.274 58.100 0.330 0.000 1.060 445 Y CB 1.644 40.210 38.460 0.177 0.000 1.294 445 Y HN 0.703 nan 8.280 nan 0.000 0.472 446 E N 1.926 122.554 120.200 0.714 0.000 2.187 446 E HA 0.697 5.220 4.350 0.287 0.000 0.268 446 E C -0.839 176.018 176.600 0.428 0.000 0.896 446 E CA -1.106 55.580 56.400 0.478 0.000 0.766 446 E CB 1.787 31.804 29.700 0.528 0.000 1.142 446 E HN 1.048 nan 8.360 nan 0.000 0.408 447 A N 4.155 127.111 122.820 0.228 0.000 2.466 447 A HA 0.104 4.596 4.320 0.287 0.000 0.238 447 A C 0.885 178.718 177.584 0.415 0.000 1.074 447 A CA -0.034 52.184 52.037 0.302 0.000 0.774 447 A CB 0.251 19.278 19.000 0.045 0.000 1.015 447 A HN 0.854 nan 8.150 nan 0.000 0.498 448 L N 0.819 122.372 121.223 0.551 0.000 2.418 448 L HA 0.094 4.607 4.340 0.287 0.000 0.218 448 L C 0.947 177.979 176.870 0.270 0.000 1.125 448 L CA 1.057 56.063 54.840 0.277 0.000 0.835 448 L CB -0.486 41.550 42.059 -0.037 0.000 0.953 448 L HN 0.908 nan 8.230 nan 0.000 0.454 449 S N -3.781 112.094 115.700 0.292 0.000 2.636 449 S HA 0.038 4.680 4.470 0.287 0.000 0.266 449 S C -0.160 174.629 174.600 0.315 0.000 1.147 449 S CA -0.915 57.446 58.200 0.269 0.000 0.815 449 S CB 0.246 63.580 63.200 0.223 0.000 1.119 449 S HN 0.204 nan 8.310 nan 0.000 0.470 450 W N 1.091 122.474 121.300 0.139 0.000 2.381 450 W HA -0.138 4.692 4.660 0.284 0.000 0.301 450 W C 1.511 178.152 176.519 0.202 0.000 1.205 450 W CA 2.212 59.656 57.345 0.164 0.000 1.285 450 W CB -0.275 29.260 29.460 0.126 0.000 1.133 450 W HN 0.853 nan 8.180 nan 0.000 0.521 451 Q N -0.936 119.020 119.800 0.259 0.000 2.050 451 Q HA -0.253 4.259 4.340 0.287 0.000 0.202 451 Q C 2.272 178.366 176.000 0.155 0.000 0.980 451 Q CA 2.132 58.036 55.803 0.168 0.000 0.840 451 Q CB -1.391 27.466 28.738 0.199 0.000 0.898 451 Q HN 0.467 nan 8.270 nan 0.000 0.424 452 H N -0.495 118.621 119.070 0.078 0.000 2.352 452 H HA -0.125 4.605 4.556 0.289 0.000 0.299 452 H C 1.896 177.303 175.328 0.132 0.000 1.097 452 H CA 1.286 57.392 56.048 0.096 0.000 1.311 452 H CB -0.092 29.709 29.762 0.063 0.000 1.377 452 H HN 0.387 nan 8.280 nan 0.000 0.504 453 G N 0.246 108.998 108.800 -0.079 0.000 2.440 453 G HA2 -0.220 3.912 3.960 0.287 0.000 0.218 453 G HA3 -0.220 3.912 3.960 0.287 0.000 0.218 453 G C 1.873 176.638 174.900 -0.226 0.000 1.154 453 G CA 1.054 46.046 45.100 -0.179 0.000 0.767 453 G HN 0.354 nan 8.290 nan 0.000 0.552 454 V N 0.473 120.230 119.914 -0.262 0.000 2.407 454 V HA -0.133 4.159 4.120 0.287 0.000 0.248 454 V C 2.311 178.351 176.094 -0.090 0.000 1.055 454 V CA 1.762 63.966 62.300 -0.160 0.000 1.049 454 V CB -0.631 31.162 31.823 -0.050 0.000 0.662 454 V HN 0.422 nan 8.190 nan 0.000 0.455 455 F N 0.732 120.606 119.950 -0.127 0.000 2.134 455 F HA -0.158 4.543 4.527 0.290 0.000 0.299 455 F C 2.183 177.873 175.800 -0.183 0.000 1.097 455 F CA 1.702 59.656 58.000 -0.077 0.000 1.264 455 F CB -0.282 38.726 39.000 0.013 0.000 1.001 455 F HN -0.036 nan 8.300 nan 0.000 0.479 456 V N 0.664 120.393 119.914 -0.309 0.000 2.407 456 V HA -0.215 4.077 4.120 0.287 0.000 0.248 456 V C 2.753 178.401 176.094 -0.743 0.000 1.055 456 V CA 1.849 63.902 62.300 -0.412 0.000 1.049 456 V CB -1.569 30.137 31.823 -0.195 0.000 0.662 456 V HN 0.574 nan 8.190 nan 0.000 0.455 457 G N -0.245 107.786 108.800 -1.283 0.000 2.418 457 G HA2 -0.227 3.905 3.960 0.287 0.000 0.217 457 G HA3 -0.227 3.905 3.960 0.287 0.000 0.217 457 G C 1.763 175.889 174.900 -1.290 0.000 1.158 457 G CA 0.993 44.652 45.100 -2.402 0.000 0.771 457 G HN 0.604 nan 8.290 nan 0.000 0.545 458 A N 0.891 123.357 122.820 -0.591 0.000 1.972 458 A HA 0.327 4.819 4.320 0.287 0.000 0.219 458 A C 2.580 180.080 177.584 -0.139 0.000 1.169 458 A CA 2.046 54.082 52.037 -0.001 0.000 0.635 458 A CB -0.463 18.630 19.000 0.156 0.000 0.810 458 A HN 0.829 nan 8.150 nan 0.000 0.446 459 A N -1.194 121.352 122.820 -0.457 0.000 2.251 459 A HA 0.425 4.918 4.320 0.287 0.000 0.209 459 A C 0.997 178.414 177.584 -0.279 0.000 1.187 459 A CA -0.238 51.560 52.037 -0.398 0.000 0.823 459 A CB -0.472 18.125 19.000 -0.673 0.000 0.846 459 A HN 0.532 nan 8.150 nan 0.000 0.486 460 M N 0.600 120.033 119.600 -0.280 0.000 2.249 460 M HA 0.183 4.835 4.480 0.287 0.000 0.340 460 M C 0.233 176.400 176.300 -0.220 0.000 1.166 460 M CA 0.982 56.175 55.300 -0.177 0.000 1.115 460 M CB 0.358 32.854 32.600 -0.174 0.000 1.606 460 M HN 0.298 nan 8.290 nan 0.000 0.448 461 R N 0.773 121.154 120.500 -0.199 0.000 2.774 461 R HA 0.711 5.224 4.340 0.287 0.000 0.272 461 R C -1.376 174.814 176.300 -0.184 0.000 1.000 461 R CA -0.830 55.088 56.100 -0.303 0.000 0.906 461 R CB 2.441 32.468 30.300 -0.455 0.000 1.227 461 R HN 0.647 nan 8.270 nan 0.000 0.468 462 S N 0.192 115.777 115.700 -0.191 0.000 2.543 462 S HA 0.102 4.744 4.470 0.287 0.000 0.273 462 S C -1.485 173.019 174.600 -0.159 0.000 1.152 462 S CA -0.743 57.358 58.200 -0.165 0.000 0.910 462 S CB 1.608 64.716 63.200 -0.154 0.000 1.105 462 S HN 0.592 nan 8.310 nan 0.000 0.465 463 E N 2.664 122.769 120.200 -0.158 0.000 2.415 463 E HA 0.414 4.936 4.350 0.287 0.000 0.263 463 E C 0.248 176.774 176.600 -0.123 0.000 0.995 463 E CA -0.199 56.124 56.400 -0.128 0.000 0.915 463 E CB 0.667 30.297 29.700 -0.116 0.000 0.951 463 E HN 0.692 nan 8.360 nan 0.000 0.449 464 A N 4.058 126.824 122.820 -0.091 0.000 2.498 464 A HA 0.198 4.690 4.320 0.287 0.000 0.239 464 A C 0.404 177.946 177.584 -0.070 0.000 1.068 464 A CA 0.199 52.191 52.037 -0.074 0.000 0.766 464 A CB 0.276 19.243 19.000 -0.054 0.000 1.003 464 A HN 0.741 nan 8.150 nan 0.000 0.497 473 K N -0.338 120.047 120.400 -0.024 0.000 2.221 473 K HA 0.834 5.326 4.320 0.287 0.000 0.243 473 K C -0.590 175.989 176.600 -0.035 0.000 0.968 473 K CA -0.821 55.447 56.287 -0.031 0.000 0.846 473 K CB 2.800 35.279 32.500 -0.036 0.000 1.141 473 K HN 0.337 nan 8.250 nan 0.000 0.434 474 V N 2.354 122.242 119.914 -0.042 0.000 2.789 474 V HA 0.380 4.672 4.120 0.287 0.000 0.311 474 V C -0.849 175.203 176.094 -0.069 0.000 1.073 474 V CA -0.939 61.333 62.300 -0.047 0.000 0.921 474 V CB 1.849 33.650 31.823 -0.037 0.000 1.009 474 V HN 0.603 nan 8.190 nan 0.000 0.426 475 I N 5.607 126.125 120.570 -0.086 0.000 2.287 475 I HA 0.354 4.696 4.170 0.287 0.000 0.290 475 I C 0.238 176.253 176.117 -0.170 0.000 1.069 475 I CA 0.122 61.342 61.300 -0.134 0.000 1.237 475 I CB 0.957 38.869 38.000 -0.147 0.000 1.418 475 I HN 0.727 nan 8.210 nan 0.000 0.481 476 M N 5.018 124.519 119.600 -0.165 0.000 2.573 476 M HA 0.529 5.182 4.480 0.287 0.000 0.309 476 M C -0.525 175.612 176.300 -0.271 0.000 1.202 476 M CA -0.456 54.755 55.300 -0.148 0.000 0.975 476 M CB 1.690 34.246 32.600 -0.074 0.000 1.600 476 M HN 0.309 nan 8.290 nan 0.000 0.479 477 H N 1.026 119.936 119.070 -0.267 0.000 2.548 477 H HA 0.273 5.000 4.556 0.285 0.000 0.331 477 H C -1.177 173.991 175.328 -0.266 0.000 1.093 477 H CA 0.189 55.984 56.048 -0.422 0.000 1.367 477 H CB 1.224 30.387 29.762 -0.998 0.000 1.455 477 H HN 0.648 nan 8.280 nan 0.000 0.519 478 D N 4.380 124.700 120.400 -0.132 0.000 2.586 478 D HA 0.165 4.978 4.640 0.287 0.000 0.254 478 D C -2.762 173.504 176.300 -0.057 0.000 1.248 478 D CA -1.779 52.177 54.000 -0.074 0.000 0.843 478 D CB 1.020 41.786 40.800 -0.056 0.000 1.332 478 D HN 0.221 nan 8.370 nan 0.000 0.523 479 P HA 0.093 nan 4.420 nan 0.000 0.267 479 P C 0.250 177.691 177.300 0.236 0.000 1.205 479 P CA -0.087 63.046 63.100 0.056 0.000 0.765 479 P CB 0.069 31.785 31.700 0.026 0.000 0.828 480 F N 1.438 121.318 119.950 -0.116 0.000 3.048 480 F HA -0.300 4.399 4.527 0.287 0.000 0.287 480 F C 1.447 177.318 175.800 0.118 0.000 0.796 480 F CA 1.062 59.054 58.000 -0.014 0.000 1.111 480 F CB -2.661 36.436 39.000 0.162 0.000 1.320 480 F HN 0.574 nan 8.300 nan 0.000 0.430 481 A N -1.677 121.252 122.820 0.182 0.000 2.816 481 A HA -0.308 4.185 4.320 0.287 0.000 0.270 481 A C 1.403 179.163 177.584 0.293 0.000 1.413 481 A CA 1.734 53.914 52.037 0.238 0.000 0.866 481 A CB -1.369 17.785 19.000 0.256 0.000 1.032 481 A HN 0.432 nan 8.150 nan 0.000 0.642 482 M N -1.457 118.136 119.600 -0.012 0.000 2.346 482 M HA 0.138 4.790 4.480 0.287 0.000 0.280 482 M C 1.599 177.373 176.300 -0.877 0.000 1.075 482 M CA 0.617 55.673 55.300 -0.407 0.000 0.989 482 M CB -0.422 31.643 32.600 -0.891 0.000 1.447 482 M HN 0.665 nan 8.290 nan 0.000 0.511 483 R N 2.011 122.228 120.500 -0.472 0.000 2.113 483 R HA -0.158 4.354 4.340 0.287 0.000 0.244 483 R C -1.119 174.947 176.300 -0.390 0.000 1.142 483 R CA 1.901 57.819 56.100 -0.303 0.000 0.953 483 R CB -0.945 29.271 30.300 -0.141 0.000 0.860 483 R HN 0.153 nan 8.270 nan 0.000 0.438 484 P HA 0.039 nan 4.420 nan 0.000 0.249 484 P C -0.201 176.616 177.300 -0.805 0.000 1.229 484 P CA 0.836 63.455 63.100 -0.801 0.000 0.788 484 P CB 0.181 31.131 31.700 -1.250 0.000 1.072 485 F N -3.434 116.340 119.950 -0.293 0.000 2.817 485 F HA 0.306 5.014 4.527 0.301 0.000 0.333 485 F C 0.645 176.287 175.800 -0.264 0.000 1.085 485 F CA -0.990 56.847 58.000 -0.271 0.000 1.170 485 F CB -0.629 38.205 39.000 -0.278 0.000 1.066 485 F HN -0.315 nan 8.300 nan 0.000 0.564 486 F N 1.092 121.017 119.950 -0.042 0.000 2.608 486 F HA 0.316 5.025 4.527 0.302 0.000 0.380 486 F C 1.703 177.474 175.800 -0.049 0.000 1.083 486 F CA 0.012 57.932 58.000 -0.133 0.000 1.266 486 F CB 0.328 39.155 39.000 -0.289 0.000 1.076 486 F HN 0.094 nan 8.300 nan 0.000 0.574 487 G N 2.733 111.680 108.800 0.245 0.000 2.813 487 G HA2 0.136 4.269 3.960 0.287 0.000 0.209 487 G HA3 0.136 4.269 3.960 0.287 0.000 0.209 487 G C -0.475 174.621 174.900 0.327 0.000 1.150 487 G CA 0.573 45.822 45.100 0.248 0.000 0.785 487 G HN 0.690 nan 8.290 nan 0.000 0.535 488 Y N -2.874 117.490 120.300 0.108 0.000 2.895 488 Y HA 0.457 5.171 4.550 0.272 0.000 0.339 488 Y C -0.772 175.147 175.900 0.031 0.000 1.363 488 Y CA -2.268 55.865 58.100 0.054 0.000 1.085 488 Y CB 0.133 38.605 38.460 0.021 0.000 1.500 488 Y HN -0.159 nan 8.280 nan 0.000 0.442 489 N N 1.759 120.475 118.700 0.027 0.000 2.414 489 N HA -0.108 4.804 4.740 0.287 0.000 0.268 489 N C 0.554 175.880 175.510 -0.305 0.000 1.286 489 N CA 0.349 53.332 53.050 -0.112 0.000 0.896 489 N CB 0.136 38.629 38.487 0.009 0.000 1.093 489 N HN 0.788 nan 8.380 nan 0.000 0.480 490 F N 4.665 124.253 119.950 -0.604 0.000 2.161 490 F HA -0.024 4.674 4.527 0.285 0.000 0.300 490 F C 1.996 177.573 175.800 -0.371 0.000 1.089 490 F CA 1.901 59.404 58.000 -0.828 0.000 1.282 490 F CB -0.621 37.743 39.000 -1.060 0.000 1.010 490 F HN 0.568 nan 8.300 nan 0.000 0.485 491 G N 0.730 109.295 108.800 -0.391 0.000 2.440 491 G HA2 -0.267 3.865 3.960 0.287 0.000 0.218 491 G HA3 -0.267 3.865 3.960 0.287 0.000 0.218 491 G C 1.785 176.576 174.900 -0.183 0.000 1.154 491 G CA 0.805 45.701 45.100 -0.341 0.000 0.767 491 G HN 0.228 nan 8.290 nan 0.000 0.552 492 K N -0.163 120.205 120.400 -0.054 0.000 2.148 492 K HA -0.060 4.433 4.320 0.287 0.000 0.204 492 K C 2.049 178.793 176.600 0.240 0.000 1.050 492 K CA 0.798 57.157 56.287 0.120 0.000 0.942 492 K CB -0.636 32.006 32.500 0.236 0.000 0.724 492 K HN 0.525 nan 8.250 nan 0.000 0.446 493 Y N 1.876 122.145 120.300 -0.053 0.000 2.181 493 Y HA -0.157 4.563 4.550 0.283 0.000 0.288 493 Y C 1.978 177.916 175.900 0.063 0.000 1.146 493 Y CA 1.271 59.394 58.100 0.038 0.000 1.164 493 Y CB -0.315 37.968 38.460 -0.297 0.000 0.982 493 Y HN -0.103 nan 8.280 nan 0.000 0.515 494 L N -0.145 121.054 121.223 -0.040 0.000 2.046 494 L HA -0.232 4.281 4.340 0.287 0.000 0.208 494 L C 2.823 179.746 176.870 0.089 0.000 1.077 494 L CA 1.229 56.020 54.840 -0.081 0.000 0.747 494 L CB -1.034 40.848 42.059 -0.295 0.000 0.896 494 L HN 0.352 nan 8.230 nan 0.000 0.432 495 A N -0.715 122.162 122.820 0.094 0.000 1.933 495 A HA -0.294 4.198 4.320 0.287 0.000 0.218 495 A C 2.099 179.823 177.584 0.233 0.000 1.175 495 A CA 1.949 54.079 52.037 0.155 0.000 0.628 495 A CB -0.782 18.289 19.000 0.119 0.000 0.814 495 A HN 0.510 nan 8.150 nan 0.000 0.444 496 H N -2.069 117.076 119.070 0.125 0.000 2.293 496 H HA -0.186 4.542 4.556 0.287 0.000 0.300 496 H C 1.767 177.169 175.328 0.124 0.000 1.082 496 H CA 2.247 58.351 56.048 0.093 0.000 1.308 496 H CB -0.398 29.407 29.762 0.071 0.000 1.375 496 H HN 0.605 nan 8.280 nan 0.000 0.495 497 W N 0.601 121.873 121.300 -0.046 0.000 2.335 497 W HA -0.154 4.671 4.660 0.275 0.000 0.311 497 W C 2.522 179.232 176.519 0.319 0.000 1.213 497 W CA 1.499 58.875 57.345 0.051 0.000 1.274 497 W CB -0.628 28.797 29.460 -0.058 0.000 1.148 497 W HN 0.211 nan 8.180 nan 0.000 0.498 498 L N 0.125 121.642 121.223 0.489 0.000 2.083 498 L HA -0.242 4.270 4.340 0.287 0.000 0.209 498 L C 2.669 179.793 176.870 0.423 0.000 1.083 498 L CA 1.697 56.833 54.840 0.494 0.000 0.752 498 L CB -1.163 41.101 42.059 0.341 0.000 0.899 498 L HN 0.026 nan 8.230 nan 0.000 0.433 499 S N -0.874 115.006 115.700 0.299 0.000 2.442 499 S HA -0.168 4.475 4.470 0.287 0.000 0.236 499 S C 1.962 176.627 174.600 0.109 0.000 1.007 499 S CA 0.708 59.051 58.200 0.239 0.000 0.965 499 S CB -0.214 63.082 63.200 0.161 0.000 0.773 499 S HN 0.260 nan 8.310 nan 0.000 0.504 500 M N 1.691 121.337 119.600 0.077 0.000 2.358 500 M HA 0.139 4.792 4.480 0.287 0.000 0.264 500 M C 2.449 178.572 176.300 -0.296 0.000 1.064 500 M CA 1.137 56.425 55.300 -0.020 0.000 1.093 500 M CB -1.862 30.775 32.600 0.063 0.000 1.401 500 M HN 0.581 nan 8.290 nan 0.000 0.440 501 A N -0.984 121.604 122.820 -0.387 0.000 2.121 501 A HA -0.134 4.358 4.320 0.287 0.000 0.218 501 A C 1.612 178.854 177.584 -0.569 0.000 1.154 501 A CA 1.116 52.807 52.037 -0.576 0.000 0.679 501 A CB -0.767 17.945 19.000 -0.481 0.000 0.795 501 A HN 0.505 nan 8.150 nan 0.000 0.458 502 H N -0.346 118.667 119.070 -0.095 0.000 2.529 502 H HA 0.158 4.886 4.556 0.287 0.000 0.277 502 H C -0.085 175.173 175.328 -0.116 0.000 1.004 502 H CA -0.052 55.953 56.048 -0.073 0.000 1.167 502 H CB 0.091 29.844 29.762 -0.016 0.000 1.445 502 H HN 0.451 nan 8.280 nan 0.000 0.554 503 R N 2.257 122.668 120.500 -0.149 0.000 2.248 503 R HA 0.188 4.701 4.340 0.287 0.000 0.328 503 R C -2.438 173.713 176.300 -0.248 0.000 1.067 503 R CA -1.748 54.222 56.100 -0.216 0.000 0.924 503 R CB 0.037 30.110 30.300 -0.378 0.000 1.013 503 R HN 0.007 nan 8.270 nan 0.000 0.454 504 P HA -0.121 nan 4.420 nan 0.000 0.264 504 P C 0.177 177.351 177.300 -0.210 0.000 1.183 504 P CA 0.838 63.847 63.100 -0.151 0.000 0.763 504 P CB 0.749 32.391 31.700 -0.098 0.000 0.807 505 A N 1.939 124.643 122.820 -0.194 0.000 3.384 505 A HA -0.124 4.368 4.320 0.287 0.000 0.260 505 A C 0.910 178.325 177.584 -0.282 0.000 1.168 505 A CA 0.691 52.614 52.037 -0.191 0.000 1.253 505 A CB -2.453 16.461 19.000 -0.144 0.000 1.122 505 A HN 0.807 nan 8.150 nan 0.000 0.934 506 A N 0.044 122.595 122.820 -0.447 0.000 2.520 506 A HA 0.478 4.970 4.320 0.287 0.000 0.245 506 A C 0.428 177.807 177.584 -0.340 0.000 1.072 506 A CA 0.918 52.541 52.037 -0.690 0.000 0.761 506 A CB -0.033 18.352 19.000 -1.026 0.000 1.004 506 A HN 0.495 nan 8.150 nan 0.000 0.499 507 K N 3.017 123.317 120.400 -0.166 0.000 2.290 507 K HA 0.362 4.855 4.320 0.287 0.000 0.250 507 K C -0.900 175.716 176.600 0.028 0.000 1.092 507 K CA 0.080 56.342 56.287 -0.042 0.000 1.006 507 K CB 0.507 33.014 32.500 0.011 0.000 1.549 507 K HN 0.653 nan 8.250 nan 0.000 0.436 508 L N 4.872 126.046 121.223 -0.080 0.000 2.416 508 L HA 0.228 4.740 4.340 0.287 0.000 0.272 508 L C -1.556 175.351 176.870 0.062 0.000 1.161 508 L CA -1.808 52.949 54.840 -0.139 0.000 0.845 508 L CB 0.091 41.920 42.059 -0.384 0.000 1.119 508 L HN 0.367 nan 8.230 nan 0.000 0.464 509 P HA 0.065 nan 4.420 nan 0.000 0.272 509 P C -0.878 176.572 177.300 0.250 0.000 1.230 509 P CA -0.560 62.668 63.100 0.213 0.000 0.788 509 P CB 0.742 32.586 31.700 0.240 0.000 0.949 510 K N 1.382 121.848 120.400 0.110 0.000 2.382 510 K HA 0.265 4.757 4.320 0.287 0.000 0.275 510 K C -0.280 176.215 176.600 -0.175 0.000 1.009 510 K CA -0.186 56.057 56.287 -0.074 0.000 0.970 510 K CB -0.014 32.354 32.500 -0.221 0.000 0.934 510 K HN 0.377 nan 8.250 nan 0.000 0.479 511 I N 4.975 125.376 120.570 -0.282 0.000 2.404 511 I HA 0.309 4.651 4.170 0.287 0.000 0.293 511 I C -0.768 175.090 176.117 -0.432 0.000 0.992 511 I CA -0.717 60.443 61.300 -0.234 0.000 1.149 511 I CB 0.871 38.833 38.000 -0.062 0.000 1.315 511 I HN 0.483 nan 8.210 nan 0.000 0.446 512 F N 3.791 123.739 119.950 -0.004 0.000 2.598 512 F HA 0.523 5.221 4.527 0.285 0.000 0.327 512 F C 0.099 175.840 175.800 -0.099 0.000 1.057 512 F CA -0.731 57.264 58.000 -0.009 0.000 0.957 512 F CB 1.453 40.480 39.000 0.045 0.000 1.278 512 F HN 0.373 nan 8.300 nan 0.000 0.484 513 H N 1.079 120.025 119.070 -0.206 0.000 2.679 513 H HA 0.680 5.408 4.556 0.287 0.000 0.360 513 H C -1.547 173.573 175.328 -0.347 0.000 1.105 513 H CA -0.626 55.199 56.048 -0.372 0.000 1.196 513 H CB 1.993 31.243 29.762 -0.853 0.000 1.636 513 H HN 0.579 nan 8.280 nan 0.000 0.531 514 V N 2.695 122.267 119.914 -0.570 0.000 3.046 514 V HA 0.574 4.866 4.120 0.287 0.000 0.316 514 V C -0.543 175.154 176.094 -0.661 0.000 1.104 514 V CA -0.965 60.966 62.300 -0.614 0.000 1.006 514 V CB 2.030 33.222 31.823 -1.052 0.000 1.058 514 V HN 0.772 nan 8.190 nan 0.000 0.440 515 N N 0.983 119.372 118.700 -0.517 0.000 2.594 515 N HA 0.396 5.308 4.740 0.287 0.000 0.280 515 N C -0.429 174.973 175.510 -0.181 0.000 1.156 515 N CA -0.659 52.206 53.050 -0.309 0.000 0.831 515 N CB 1.060 39.527 38.487 -0.034 0.000 1.379 515 N HN 0.926 nan 8.380 nan 0.000 0.536 516 W N 1.883 122.955 121.300 -0.379 0.000 2.905 516 W HA 0.181 5.012 4.660 0.286 0.000 0.251 516 W C 0.237 176.337 176.519 -0.697 0.000 1.305 516 W CA -0.309 56.638 57.345 -0.664 0.000 1.465 516 W CB 0.183 28.943 29.460 -1.167 0.000 1.122 516 W HN 0.436 nan 8.180 nan 0.000 0.659 517 F N 0.071 120.044 119.950 0.038 0.000 2.639 517 F HA 0.270 4.969 4.527 0.287 0.000 0.302 517 F C 1.304 177.281 175.800 0.294 0.000 1.097 517 F CA -0.592 57.497 58.000 0.147 0.000 1.294 517 F CB -0.293 38.773 39.000 0.109 0.000 1.027 517 F HN -0.384 nan 8.300 nan 0.000 0.550 518 R N 2.168 122.834 120.500 0.275 0.000 2.537 518 R HA 0.203 4.715 4.340 0.287 0.000 0.280 518 R C -0.386 176.038 176.300 0.207 0.000 1.058 518 R CA 0.344 56.543 56.100 0.165 0.000 1.057 518 R CB 0.512 30.826 30.300 0.024 0.000 0.973 518 R HN 0.135 nan 8.270 nan 0.000 0.438 519 K N 2.161 122.621 120.400 0.099 0.000 2.328 519 K HA 0.168 4.660 4.320 0.287 0.000 0.246 519 K C -0.741 175.858 176.600 -0.002 0.000 0.955 519 K CA -1.003 55.303 56.287 0.032 0.000 0.817 519 K CB 1.413 33.874 32.500 -0.065 0.000 1.208 519 K HN 0.658 nan 8.250 nan 0.000 0.432 520 D N 0.686 121.081 120.400 -0.008 0.000 2.414 520 D HA 0.043 4.856 4.640 0.287 0.000 0.259 520 D C 0.453 176.738 176.300 -0.025 0.000 1.269 520 D CA -0.244 53.749 54.000 -0.012 0.000 1.028 520 D CB 0.555 41.355 40.800 0.000 0.000 1.093 520 D HN 0.217 nan 8.370 nan 0.000 0.545 521 K N -0.880 119.509 120.400 -0.018 0.000 2.211 521 K HA -0.043 4.449 4.320 0.287 0.000 0.204 521 K C 1.097 177.682 176.600 -0.026 0.000 1.047 521 K CA 1.087 57.362 56.287 -0.019 0.000 0.935 521 K CB -0.209 32.284 32.500 -0.011 0.000 0.728 521 K HN 0.326 nan 8.250 nan 0.000 0.452 522 N N -0.335 118.348 118.700 -0.028 0.000 2.383 522 N HA 0.052 4.964 4.740 0.287 0.000 0.192 522 N C 0.671 176.148 175.510 -0.056 0.000 1.141 522 N CA 0.956 53.986 53.050 -0.034 0.000 0.851 522 N CB 1.014 39.484 38.487 -0.027 0.000 0.976 522 N HN 0.330 nan 8.380 nan 0.000 0.465 523 G N 1.049 109.805 108.800 -0.073 0.000 2.143 523 G HA2 -0.306 3.826 3.960 0.287 0.000 0.249 523 G HA3 -0.306 3.826 3.960 0.287 0.000 0.249 523 G C 0.077 174.861 174.900 -0.192 0.000 0.981 523 G CA 0.168 45.194 45.100 -0.123 0.000 0.665 523 G HN 0.453 nan 8.290 nan 0.000 0.528 524 K N 0.065 120.384 120.400 -0.135 0.000 2.143 524 K HA 0.606 5.098 4.320 0.287 0.000 0.272 524 K C 0.175 176.715 176.600 -0.099 0.000 1.001 524 K CA -0.967 55.239 56.287 -0.134 0.000 0.915 524 K CB 0.326 32.803 32.500 -0.039 0.000 1.047 524 K HN -0.004 nan 8.250 nan 0.000 0.458 525 F N 4.505 124.476 119.950 0.034 0.000 2.578 525 F HA -0.043 4.656 4.527 0.287 0.000 0.381 525 F C 1.413 177.231 175.800 0.030 0.000 1.069 525 F CA -0.305 57.718 58.000 0.038 0.000 1.231 525 F CB 0.401 39.421 39.000 0.033 0.000 1.086 525 F HN 0.504 nan 8.300 nan 0.000 0.564 526 L N 3.754 125.129 121.223 0.253 0.000 2.201 526 L HA -0.117 4.396 4.340 0.287 0.000 0.212 526 L C 0.588 177.588 176.870 0.217 0.000 1.105 526 L CA 0.895 55.834 54.840 0.165 0.000 0.775 526 L CB -0.069 42.045 42.059 0.091 0.000 0.913 526 L HN 0.601 nan 8.230 nan 0.000 0.440 527 W N 1.369 122.652 121.300 -0.029 0.000 2.666 527 W HA 0.266 5.098 4.660 0.286 0.000 0.334 527 W C -1.991 174.436 176.519 -0.153 0.000 1.051 527 W CA -1.747 55.527 57.345 -0.119 0.000 1.224 527 W CB 2.050 31.403 29.460 -0.179 0.000 1.405 527 W HN -0.204 nan 8.180 nan 0.000 0.513 528 P HA 0.088 nan 4.420 nan 0.000 0.224 528 P C 0.880 177.811 177.300 -0.615 0.000 1.157 528 P CA 1.397 64.162 63.100 -0.557 0.000 0.799 528 P CB 0.689 32.049 31.700 -0.566 0.000 0.809 529 G N -0.234 107.955 108.800 -1.018 0.000 2.645 529 G HA2 -0.242 3.890 3.960 0.287 0.000 0.246 529 G HA3 -0.242 3.890 3.960 0.287 0.000 0.246 529 G C 0.032 174.557 174.900 -0.624 0.000 1.322 529 G CA -0.222 44.365 45.100 -0.854 0.000 0.898 529 G HN 0.140 nan 8.290 nan 0.000 0.573 530 F N -2.187 117.435 119.950 -0.547 0.000 2.512 530 F HA -0.292 4.407 4.527 0.286 0.000 0.290 530 F C 2.638 178.240 175.800 -0.330 0.000 1.459 530 F CA 2.696 60.470 58.000 -0.375 0.000 1.366 530 F CB -1.734 37.104 39.000 -0.270 0.000 3.242 530 F HN 1.660 nan 8.300 nan 0.000 0.190 531 G N -0.371 108.409 108.800 -0.034 0.000 2.471 531 G HA2 -0.098 4.034 3.960 0.287 0.000 0.219 531 G HA3 -0.098 4.034 3.960 0.287 0.000 0.219 531 G C 1.075 175.879 174.900 -0.159 0.000 1.125 531 G CA 1.020 46.064 45.100 -0.093 0.000 0.775 531 G HN 0.531 nan 8.290 nan 0.000 0.548 532 E N 1.210 121.271 120.200 -0.231 0.000 2.478 532 E HA -0.040 4.483 4.350 0.287 0.000 0.198 532 E C 1.617 178.136 176.600 -0.135 0.000 1.046 532 E CA 0.087 56.328 56.400 -0.264 0.000 0.870 532 E CB -0.152 29.230 29.700 -0.531 0.000 0.818 532 E HN 0.325 nan 8.360 nan 0.000 0.527 533 N N 0.843 119.407 118.700 -0.228 0.000 2.520 533 N HA -0.103 4.810 4.740 0.287 0.000 0.185 533 N C 1.697 177.130 175.510 -0.129 0.000 1.068 533 N CA 0.871 53.774 53.050 -0.245 0.000 0.911 533 N CB -0.207 37.817 38.487 -0.772 0.000 0.961 533 N HN 0.184 nan 8.380 nan 0.000 0.446 534 S N 0.919 116.531 115.700 -0.146 0.000 2.402 534 S HA -0.151 4.492 4.470 0.287 0.000 0.233 534 S C 1.843 176.282 174.600 -0.267 0.000 1.030 534 S CA 0.743 58.816 58.200 -0.211 0.000 1.003 534 S CB -0.226 62.841 63.200 -0.222 0.000 0.813 534 S HN 0.291 nan 8.310 nan 0.000 0.477 535 R N 0.483 120.918 120.500 -0.108 0.000 2.115 535 R HA 0.073 4.586 4.340 0.287 0.000 0.230 535 R C 2.263 178.556 176.300 -0.011 0.000 1.111 535 R CA 1.288 57.357 56.100 -0.051 0.000 0.976 535 R CB -0.625 29.760 30.300 0.142 0.000 0.870 535 R HN 0.361 nan 8.270 nan 0.000 0.445 536 V N 1.256 121.188 119.914 0.031 0.000 2.379 536 V HA -0.155 4.138 4.120 0.287 0.000 0.245 536 V C 2.174 178.304 176.094 0.059 0.000 1.044 536 V CA 1.441 63.777 62.300 0.061 0.000 1.036 536 V CB -0.337 31.555 31.823 0.115 0.000 0.664 536 V HN 0.269 nan 8.190 nan 0.000 0.453 537 L N 0.144 121.356 121.223 -0.018 0.000 2.131 537 L HA -0.209 4.303 4.340 0.287 0.000 0.210 537 L C 2.541 179.350 176.870 -0.102 0.000 1.092 537 L CA 1.994 56.806 54.840 -0.046 0.000 0.759 537 L CB -0.613 41.421 42.059 -0.042 0.000 0.903 537 L HN 0.480 nan 8.230 nan 0.000 0.435 538 E N -0.040 119.959 120.200 -0.334 0.000 2.072 538 E HA -0.279 4.244 4.350 0.287 0.000 0.191 538 E C 2.155 178.788 176.600 0.055 0.000 0.985 538 E CA 1.329 57.473 56.400 -0.426 0.000 0.801 538 E CB -0.234 29.086 29.700 -0.634 0.000 0.750 538 E HN 0.476 nan 8.360 nan 0.000 0.452 539 W N 0.951 122.200 121.300 -0.085 0.000 2.381 539 W HA -0.116 4.715 4.660 0.286 0.000 0.301 539 W C 2.034 178.555 176.519 0.004 0.000 1.205 539 W CA 1.706 59.045 57.345 -0.010 0.000 1.285 539 W CB -0.115 29.329 29.460 -0.027 0.000 1.133 539 W HN 0.059 nan 8.180 nan 0.000 0.521 540 M N -0.920 118.641 119.600 -0.065 0.000 2.159 540 M HA -0.168 4.484 4.480 0.287 0.000 0.263 540 M C 2.102 178.341 176.300 -0.100 0.000 1.063 540 M CA 1.637 56.666 55.300 -0.451 0.000 1.110 540 M CB -0.908 31.257 32.600 -0.725 0.000 1.374 540 M HN 0.031 nan 8.290 nan 0.000 0.411 541 F N 0.931 120.842 119.950 -0.066 0.000 2.069 541 F HA -0.113 4.587 4.527 0.287 0.000 0.298 541 F C 2.295 178.111 175.800 0.027 0.000 1.113 541 F CA 1.925 59.963 58.000 0.064 0.000 1.214 541 F CB -0.942 38.208 39.000 0.249 0.000 0.978 541 F HN 0.090 nan 8.300 nan 0.000 0.474 542 G N 0.185 109.160 108.800 0.291 0.000 2.418 542 G HA2 -0.227 3.905 3.960 0.287 0.000 0.217 542 G HA3 -0.227 3.905 3.960 0.287 0.000 0.217 542 G C 1.833 176.700 174.900 -0.055 0.000 1.158 542 G CA 0.541 45.717 45.100 0.126 0.000 0.771 542 G HN 0.199 nan 8.290 nan 0.000 0.545 543 R N 0.122 120.478 120.500 -0.240 0.000 2.120 543 R HA 0.068 4.580 4.340 0.287 0.000 0.234 543 R C 2.535 178.787 176.300 -0.081 0.000 1.123 543 R CA 0.614 56.569 56.100 -0.242 0.000 0.975 543 R CB -0.636 29.415 30.300 -0.415 0.000 0.866 543 R HN 0.442 nan 8.270 nan 0.000 0.446 544 I N 1.021 121.583 120.570 -0.013 0.000 2.361 544 I HA -0.207 4.135 4.170 0.287 0.000 0.251 544 I C 1.735 177.822 176.117 -0.051 0.000 1.133 544 I CA 1.262 62.549 61.300 -0.020 0.000 1.413 544 I CB -0.191 37.775 38.000 -0.056 0.000 1.073 544 I HN 0.175 nan 8.210 nan 0.000 0.424 545 E N 0.500 120.676 120.200 -0.040 0.000 2.482 545 E HA 0.004 4.526 4.350 0.287 0.000 0.196 545 E C 1.362 177.957 176.600 -0.009 0.000 1.047 545 E CA 0.561 56.957 56.400 -0.008 0.000 0.869 545 E CB 0.123 29.860 29.700 0.062 0.000 0.836 545 E HN 0.599 nan 8.360 nan 0.000 0.520 546 G N 2.419 111.199 108.800 -0.033 0.000 2.132 546 G HA2 -0.303 3.829 3.960 0.287 0.000 0.234 546 G HA3 -0.303 3.829 3.960 0.287 0.000 0.234 546 G C -0.043 174.833 174.900 -0.041 0.000 0.989 546 G CA 0.183 45.257 45.100 -0.044 0.000 0.676 546 G HN 0.324 nan 8.290 nan 0.000 0.522 547 E N 0.208 120.384 120.200 -0.039 0.000 2.415 547 E HA 0.236 4.758 4.350 0.287 0.000 0.262 547 E C -0.114 176.466 176.600 -0.034 0.000 1.038 547 E CA -0.263 56.124 56.400 -0.021 0.000 0.921 547 E CB 0.337 30.030 29.700 -0.011 0.000 0.950 547 E HN 0.092 nan 8.360 nan 0.000 0.438 548 D N 2.078 122.479 120.400 0.002 0.000 2.713 548 D HA 0.033 4.845 4.640 0.287 0.000 0.229 548 D C -0.151 176.185 176.300 0.060 0.000 1.136 548 D CA 0.089 54.097 54.000 0.014 0.000 1.010 548 D CB -0.351 40.462 40.800 0.021 0.000 1.084 548 D HN 0.308 nan 8.370 nan 0.000 0.495 549 S N -0.548 115.202 115.700 0.083 0.000 2.650 549 S HA 0.545 5.187 4.470 0.287 0.000 0.240 549 S C 0.527 175.377 174.600 0.417 0.000 1.007 549 S CA -0.605 57.733 58.200 0.231 0.000 0.984 549 S CB 0.733 64.079 63.200 0.243 0.000 0.910 549 S HN 0.258 nan 8.310 nan 0.000 0.509 550 A N 1.612 124.606 122.820 0.289 0.000 2.356 550 A HA 0.804 5.296 4.320 0.287 0.000 0.323 550 A C -0.502 177.254 177.584 0.285 0.000 1.119 550 A CA -0.839 51.442 52.037 0.406 0.000 0.790 550 A CB 1.471 20.650 19.000 0.298 0.000 1.273 550 A HN 0.396 nan 8.150 nan 0.000 0.452 551 K N 1.552 122.146 120.400 0.324 0.000 2.324 551 K HA 0.574 5.067 4.320 0.287 0.000 0.253 551 K C -1.436 175.348 176.600 0.307 0.000 0.932 551 K CA -0.697 55.737 56.287 0.244 0.000 0.799 551 K CB 1.500 34.075 32.500 0.125 0.000 1.154 551 K HN 0.587 nan 8.250 nan 0.000 0.425 552 L N 3.771 125.137 121.223 0.239 0.000 2.410 552 L HA 0.291 4.803 4.340 0.287 0.000 0.273 552 L C -0.322 176.519 176.870 -0.048 0.000 1.152 552 L CA 0.909 55.779 54.840 0.050 0.000 0.855 552 L CB 0.960 43.035 42.059 0.027 0.000 1.129 552 L HN 0.919 nan 8.230 nan 0.000 0.463 553 T N 1.408 115.877 114.554 -0.141 0.000 2.831 553 T HA 0.601 5.123 4.350 0.287 0.000 0.287 553 T C -2.200 172.349 174.700 -0.252 0.000 1.070 553 T CA -1.481 60.519 62.100 -0.168 0.000 1.010 553 T CB 1.483 70.246 68.868 -0.176 0.000 1.264 553 T HN 0.373 nan 8.240 nan 0.000 0.532 554 P HA 0.129 nan 4.420 nan 0.000 0.223 554 P C 1.357 178.410 177.300 -0.412 0.000 1.151 554 P CA 0.652 63.568 63.100 -0.307 0.000 0.787 554 P CB -0.230 31.310 31.700 -0.268 0.000 0.788 555 I N -6.051 114.184 120.570 -0.557 0.000 3.883 555 I HA 0.485 4.827 4.170 0.287 0.000 0.326 555 I C 0.736 176.610 176.117 -0.406 0.000 1.283 555 I CA -0.064 60.830 61.300 -0.678 0.000 1.161 555 I CB -0.021 37.198 38.000 -1.301 0.000 1.012 555 I HN -0.081 nan 8.210 nan 0.000 0.421 556 G N 0.587 109.211 108.800 -0.293 0.000 2.334 556 G HA2 0.010 4.142 3.960 0.287 0.000 0.315 556 G HA3 0.010 4.142 3.960 0.287 0.000 0.315 556 G C -1.451 173.377 174.900 -0.121 0.000 1.284 556 G CA -0.971 44.066 45.100 -0.104 0.000 0.985 556 G HN 0.162 nan 8.290 nan 0.000 0.504 557 Y N -0.031 120.422 120.300 0.254 0.000 2.319 557 Y HA 0.473 5.195 4.550 0.287 0.000 0.328 557 Y C 1.290 177.411 175.900 0.367 0.000 1.133 557 Y CA 0.290 58.562 58.100 0.287 0.000 1.265 557 Y CB 1.436 40.099 38.460 0.338 0.000 1.218 557 Y HN 0.736 nan 8.280 nan 0.000 0.508 558 V N 0.708 120.862 119.914 0.399 0.000 3.113 558 V HA 0.713 5.005 4.120 0.287 0.000 0.316 558 V C -2.976 173.134 176.094 0.027 0.000 1.125 558 V CA -3.578 58.807 62.300 0.141 0.000 1.026 558 V CB 1.958 33.812 31.823 0.051 0.000 1.080 558 V HN 0.431 nan 8.190 nan 0.000 0.444 559 P HA 0.220 nan 4.420 nan 0.000 0.268 559 P C -0.502 176.708 177.300 -0.151 0.000 1.204 559 P CA 0.017 62.836 63.100 -0.468 0.000 0.768 559 P CB 0.246 31.340 31.700 -1.011 0.000 0.842 560 K N 1.618 122.042 120.400 0.040 0.000 2.286 560 K HA 0.002 4.494 4.320 0.287 0.000 0.256 560 K C 0.623 177.167 176.600 -0.094 0.000 0.999 560 K CA -0.076 56.213 56.287 0.003 0.000 0.908 560 K CB 0.278 32.820 32.500 0.069 0.000 0.981 560 K HN 0.504 nan 8.250 nan 0.000 0.500 561 E N 1.300 121.451 120.200 -0.083 0.000 2.414 561 E HA -0.145 4.377 4.350 0.287 0.000 0.263 561 E C -0.593 175.965 176.600 -0.071 0.000 1.000 561 E CA 0.162 56.494 56.400 -0.113 0.000 0.914 561 E CB 0.295 29.955 29.700 -0.066 0.000 0.948 561 E HN 0.519 nan 8.360 nan 0.000 0.444 562 D N 1.472 121.819 120.400 -0.088 0.000 2.946 562 D HA -0.268 4.544 4.640 0.287 0.000 0.202 562 D C 0.683 176.978 176.300 -0.007 0.000 1.068 562 D CA 1.145 55.123 54.000 -0.037 0.000 1.011 562 D CB -1.392 39.404 40.800 -0.006 0.000 1.105 562 D HN 0.472 nan 8.370 nan 0.000 0.425 563 A N 0.187 122.997 122.820 -0.016 0.000 1.975 563 A HA 0.191 4.684 4.320 0.287 0.000 0.215 563 A C 1.297 178.935 177.584 0.089 0.000 1.170 563 A CA 0.343 52.430 52.037 0.084 0.000 0.656 563 A CB 0.097 19.200 19.000 0.171 0.000 0.821 563 A HN 0.285 nan 8.150 nan 0.000 0.449 564 L N 1.106 122.301 121.223 -0.045 0.000 2.397 564 L HA 0.140 4.652 4.340 0.287 0.000 0.271 564 L C 0.078 176.971 176.870 0.038 0.000 1.148 564 L CA -0.607 54.228 54.840 -0.009 0.000 0.825 564 L CB 0.403 42.414 42.059 -0.079 0.000 1.117 564 L HN 0.275 nan 8.230 nan 0.000 0.456 565 N N 4.076 122.815 118.700 0.065 0.000 2.402 565 N HA 0.139 5.051 4.740 0.287 0.000 0.252 565 N C -0.205 175.352 175.510 0.078 0.000 1.118 565 N CA 0.103 53.188 53.050 0.059 0.000 0.945 565 N CB 0.579 39.093 38.487 0.046 0.000 1.147 565 N HN 0.541 nan 8.380 nan 0.000 0.495 566 L N 2.666 123.933 121.223 0.073 0.000 3.017 566 L HA 0.264 4.776 4.340 0.287 0.000 0.255 566 L C 0.414 177.309 176.870 0.043 0.000 1.247 566 L CA -0.291 54.603 54.840 0.090 0.000 1.038 566 L CB 0.030 42.163 42.059 0.122 0.000 1.380 566 L HN 0.249 nan 8.230 nan 0.000 0.548 567 K N 0.730 121.147 120.400 0.028 0.000 2.412 567 K HA 0.305 4.798 4.320 0.287 0.000 0.281 567 K C 1.212 177.810 176.600 -0.004 0.000 1.027 567 K CA 0.809 57.105 56.287 0.014 0.000 0.989 567 K CB 0.677 33.188 32.500 0.017 0.000 0.935 567 K HN 0.286 nan 8.250 nan 0.000 0.475 568 G N 2.410 111.205 108.800 -0.010 0.000 2.199 568 G HA2 -0.260 3.872 3.960 0.287 0.000 0.254 568 G HA3 -0.260 3.872 3.960 0.287 0.000 0.254 568 G C 0.314 175.189 174.900 -0.041 0.000 0.982 568 G CA -0.095 44.988 45.100 -0.028 0.000 0.632 568 G HN 0.549 nan 8.290 nan 0.000 0.529 569 L N 1.069 122.277 121.223 -0.025 0.000 3.255 569 L HA 0.420 4.932 4.340 0.287 0.000 0.293 569 L C 2.069 178.952 176.870 0.022 0.000 1.302 569 L CA 0.244 55.067 54.840 -0.028 0.000 0.977 569 L CB 0.441 42.465 42.059 -0.058 0.000 1.390 569 L HN 0.187 nan 8.230 nan 0.000 0.588 570 G N 0.512 109.322 108.800 0.017 0.000 2.509 570 G HA2 -0.236 3.896 3.960 0.287 0.000 0.218 570 G HA3 -0.236 3.896 3.960 0.287 0.000 0.218 570 G C 0.922 175.842 174.900 0.033 0.000 1.124 570 G CA 0.977 46.095 45.100 0.030 0.000 0.776 570 G HN 0.671 nan 8.290 nan 0.000 0.547 571 D N -0.169 120.242 120.400 0.020 0.000 2.312 571 D HA 0.022 4.835 4.640 0.287 0.000 0.211 571 D C 0.964 177.285 176.300 0.035 0.000 0.964 571 D CA -0.140 53.870 54.000 0.017 0.000 0.877 571 D CB -0.021 40.776 40.800 -0.005 0.000 0.924 571 D HN 0.131 nan 8.370 nan 0.000 0.515 572 V N 1.640 121.591 119.914 0.061 0.000 2.655 572 V HA -0.062 4.231 4.120 0.287 0.000 0.300 572 V C 0.699 176.863 176.094 0.117 0.000 1.044 572 V CA -0.383 61.980 62.300 0.105 0.000 1.095 572 V CB 0.789 32.724 31.823 0.186 0.000 0.952 572 V HN 0.254 nan 8.190 nan 0.000 0.485 573 N N 4.562 123.323 118.700 0.102 0.000 2.819 573 N HA 0.044 4.956 4.740 0.287 0.000 0.284 573 N C 0.774 176.357 175.510 0.122 0.000 1.196 573 N CA 0.133 53.236 53.050 0.089 0.000 1.114 573 N CB 0.602 39.125 38.487 0.059 0.000 1.437 573 N HN 0.446 nan 8.380 nan 0.000 0.518 574 V N 1.548 121.573 119.914 0.185 0.000 2.490 574 V HA -0.198 4.095 4.120 0.287 0.000 0.250 574 V C 2.194 178.474 176.094 0.311 0.000 1.061 574 V CA 1.618 64.128 62.300 0.350 0.000 1.064 574 V CB -0.556 31.462 31.823 0.325 0.000 0.670 574 V HN 0.557 nan 8.190 nan 0.000 0.461 575 E N 0.854 121.152 120.200 0.164 0.000 2.058 575 E HA -0.277 4.246 4.350 0.287 0.000 0.194 575 E C 2.217 178.873 176.600 0.094 0.000 0.997 575 E CA 2.086 58.557 56.400 0.118 0.000 0.801 575 E CB -0.215 29.528 29.700 0.073 0.000 0.746 575 E HN 0.686 nan 8.360 nan 0.000 0.450 576 E N -0.912 119.323 120.200 0.059 0.000 2.112 576 E HA -0.122 4.400 4.350 0.287 0.000 0.190 576 E C 1.975 178.551 176.600 -0.040 0.000 0.979 576 E CA 0.721 57.129 56.400 0.013 0.000 0.814 576 E CB -0.114 29.591 29.700 0.007 0.000 0.762 576 E HN 0.285 nan 8.360 nan 0.000 0.460 577 L N -0.104 121.061 121.223 -0.098 0.000 2.093 577 L HA -0.066 4.446 4.340 0.287 0.000 0.208 577 L C 1.448 178.031 176.870 -0.478 0.000 1.085 577 L CA 1.659 56.290 54.840 -0.349 0.000 0.755 577 L CB -0.291 41.450 42.059 -0.529 0.000 0.904 577 L HN 0.143 nan 8.230 nan 0.000 0.435 578 F N -0.378 119.551 119.950 -0.034 0.000 2.754 578 F HA 0.351 5.050 4.527 0.287 0.000 0.297 578 F C 1.680 177.461 175.800 -0.031 0.000 1.122 578 F CA -0.052 57.917 58.000 -0.051 0.000 1.400 578 F CB -0.957 38.003 39.000 -0.066 0.000 1.117 578 F HN 0.063 nan 8.300 nan 0.000 0.587 579 G N 0.976 109.825 108.800 0.082 0.000 2.483 579 G HA2 0.463 4.596 3.960 0.287 0.000 0.248 579 G HA3 0.463 4.596 3.960 0.287 0.000 0.248 579 G C -0.586 174.350 174.900 0.060 0.000 1.248 579 G CA -0.264 44.874 45.100 0.064 0.000 0.838 579 G HN 0.129 nan 8.290 nan 0.000 0.566 580 I N 1.314 121.927 120.570 0.071 0.000 2.476 580 I HA 0.193 4.535 4.170 0.287 0.000 0.281 580 I C 0.116 176.338 176.117 0.175 0.000 1.040 580 I CA -0.515 60.860 61.300 0.126 0.000 1.094 580 I CB 1.972 39.949 38.000 -0.040 0.000 1.219 580 I HN 0.474 nan 8.210 nan 0.000 0.450 581 S N 5.881 121.755 115.700 0.290 0.000 2.457 581 S HA 0.227 4.869 4.470 0.287 0.000 0.289 581 S C 1.103 175.901 174.600 0.331 0.000 1.163 581 S CA -0.542 57.803 58.200 0.242 0.000 1.078 581 S CB 1.279 64.597 63.200 0.196 0.000 0.987 581 S HN 0.755 nan 8.310 nan 0.000 0.482 582 K N 3.403 123.927 120.400 0.206 0.000 2.074 582 K HA -0.207 4.285 4.320 0.287 0.000 0.209 582 K C 1.790 178.496 176.600 0.178 0.000 1.048 582 K CA 2.090 58.487 56.287 0.184 0.000 0.926 582 K CB -0.196 32.364 32.500 0.099 0.000 0.713 582 K HN 0.859 nan 8.250 nan 0.000 0.444 583 E N -0.581 119.704 120.200 0.141 0.000 2.072 583 E HA -0.189 4.333 4.350 0.287 0.000 0.191 583 E C 1.823 178.467 176.600 0.073 0.000 0.985 583 E CA 1.105 57.559 56.400 0.089 0.000 0.801 583 E CB -0.181 29.564 29.700 0.075 0.000 0.750 583 E HN 0.386 nan 8.360 nan 0.000 0.452 584 F N -0.576 119.360 119.950 -0.024 0.000 2.102 584 F HA -0.169 4.530 4.527 0.286 0.000 0.298 584 F C 1.450 177.088 175.800 -0.270 0.000 1.105 584 F CA 1.602 59.499 58.000 -0.172 0.000 1.239 584 F CB -0.272 38.582 39.000 -0.244 0.000 0.991 584 F HN 0.089 nan 8.300 nan 0.000 0.474 585 W N 1.092 122.471 121.300 0.132 0.000 2.467 585 W HA -0.017 4.814 4.660 0.286 0.000 0.275 585 W C 2.312 178.793 176.519 -0.064 0.000 1.239 585 W CA 1.167 58.526 57.345 0.023 0.000 1.266 585 W CB -0.490 29.028 29.460 0.097 0.000 1.112 585 W HN 0.062 nan 8.180 nan 0.000 0.576 586 E N 0.352 120.610 120.200 0.097 0.000 2.110 586 E HA -0.249 4.273 4.350 0.287 0.000 0.193 586 E C 1.952 178.514 176.600 -0.064 0.000 0.988 586 E CA 1.281 57.699 56.400 0.030 0.000 0.804 586 E CB -0.149 29.565 29.700 0.024 0.000 0.745 586 E HN 0.000 nan 8.360 nan 0.000 0.458 587 K N 1.406 121.702 120.400 -0.174 0.000 2.103 587 K HA -0.175 4.318 4.320 0.287 0.000 0.204 587 K C 1.898 178.312 176.600 -0.309 0.000 1.052 587 K CA 1.338 57.482 56.287 -0.239 0.000 0.945 587 K CB 0.009 32.323 32.500 -0.310 0.000 0.722 587 K HN -0.095 nan 8.250 nan 0.000 0.443 588 E N -0.091 119.816 120.200 -0.488 0.000 2.051 588 E HA -0.100 4.423 4.350 0.287 0.000 0.192 588 E C 1.724 178.245 176.600 -0.131 0.000 0.991 588 E CA 1.601 57.721 56.400 -0.466 0.000 0.799 588 E CB -0.169 29.063 29.700 -0.780 0.000 0.748 588 E HN 0.127 nan 8.360 nan 0.000 0.449 589 V N 1.097 121.015 119.914 0.007 0.000 2.407 589 V HA -0.211 4.082 4.120 0.287 0.000 0.248 589 V C 2.435 178.570 176.094 0.069 0.000 1.055 589 V CA 2.112 64.481 62.300 0.115 0.000 1.049 589 V CB -0.698 31.211 31.823 0.143 0.000 0.662 589 V HN 0.371 nan 8.190 nan 0.000 0.455 590 E N 0.223 120.431 120.200 0.013 0.000 2.077 590 E HA -0.252 4.271 4.350 0.287 0.000 0.193 590 E C 2.207 178.824 176.600 0.028 0.000 0.989 590 E CA 1.360 57.768 56.400 0.013 0.000 0.800 590 E CB 0.009 29.698 29.700 -0.018 0.000 0.746 590 E HN 0.569 nan 8.360 nan 0.000 0.452 591 E N 0.603 120.807 120.200 0.005 0.000 2.072 591 E HA -0.152 4.371 4.350 0.287 0.000 0.191 591 E C 2.249 178.943 176.600 0.156 0.000 0.985 591 E CA 0.777 57.213 56.400 0.061 0.000 0.801 591 E CB -0.262 29.438 29.700 0.000 0.000 0.750 591 E HN 0.452 nan 8.360 nan 0.000 0.452 592 I N 1.549 122.210 120.570 0.152 0.000 2.163 592 I HA -0.273 4.070 4.170 0.287 0.000 0.243 592 I C 2.376 178.617 176.117 0.206 0.000 1.085 592 I CA 1.407 62.837 61.300 0.217 0.000 1.347 592 I CB -0.267 37.854 38.000 0.203 0.000 1.044 592 I HN 0.021 nan 8.210 nan 0.000 0.408 593 D N 1.352 121.846 120.400 0.156 0.000 2.097 593 D HA -0.192 4.620 4.640 0.287 0.000 0.195 593 D C 2.117 178.466 176.300 0.082 0.000 0.989 593 D CA 1.553 55.624 54.000 0.117 0.000 0.827 593 D CB 0.014 40.863 40.800 0.083 0.000 0.966 593 D HN 0.212 nan 8.370 nan 0.000 0.456 594 K N -0.949 119.495 120.400 0.073 0.000 2.097 594 K HA -0.189 4.304 4.320 0.287 0.000 0.206 594 K C 2.270 178.887 176.600 0.029 0.000 1.049 594 K CA 0.982 57.294 56.287 0.042 0.000 0.933 594 K CB -0.325 32.201 32.500 0.043 0.000 0.717 594 K HN 0.275 nan 8.250 nan 0.000 0.442 595 Y N 1.656 121.885 120.300 -0.119 0.000 2.133 595 Y HA -0.159 4.561 4.550 0.284 0.000 0.287 595 Y C 1.845 177.659 175.900 -0.144 0.000 1.134 595 Y CA 1.330 59.276 58.100 -0.255 0.000 1.133 595 Y CB -0.191 37.875 38.460 -0.656 0.000 0.987 595 Y HN -0.097 nan 8.280 nan 0.000 0.502 596 L N 0.194 121.404 121.223 -0.021 0.000 2.093 596 L HA -0.177 4.336 4.340 0.287 0.000 0.208 596 L C 2.568 179.377 176.870 -0.101 0.000 1.085 596 L CA 1.816 56.617 54.840 -0.065 0.000 0.755 596 L CB -0.626 41.494 42.059 0.100 0.000 0.904 596 L HN 0.334 nan 8.230 nan 0.000 0.435 597 E N 0.394 120.561 120.200 -0.056 0.000 2.077 597 E HA -0.291 4.232 4.350 0.287 0.000 0.193 597 E C 1.716 178.261 176.600 -0.092 0.000 0.989 597 E CA 1.790 58.159 56.400 -0.051 0.000 0.800 597 E CB 0.081 29.769 29.700 -0.021 0.000 0.746 597 E HN 0.402 nan 8.360 nan 0.000 0.452 598 D N -0.303 120.020 120.400 -0.129 0.000 2.091 598 D HA -0.141 4.671 4.640 0.287 0.000 0.199 598 D C 1.993 178.178 176.300 -0.192 0.000 0.980 598 D CA 1.186 55.104 54.000 -0.137 0.000 0.831 598 D CB 0.012 40.734 40.800 -0.131 0.000 0.987 598 D HN 0.091 nan 8.370 nan 0.000 0.460 599 Q N -0.440 119.160 119.800 -0.333 0.000 2.269 599 Q HA 0.058 4.570 4.340 0.287 0.000 0.201 599 Q C 2.124 177.980 176.000 -0.239 0.000 0.946 599 Q CA 0.536 56.118 55.803 -0.368 0.000 0.877 599 Q CB 0.716 29.002 28.738 -0.754 0.000 0.963 599 Q HN 0.316 nan 8.270 nan 0.000 0.472 600 V N 0.105 119.901 119.914 -0.196 0.000 3.048 600 V HA 0.017 4.309 4.120 0.287 0.000 0.241 600 V C 1.228 177.264 176.094 -0.097 0.000 1.129 600 V CA 0.631 62.864 62.300 -0.113 0.000 1.128 600 V CB -0.381 31.389 31.823 -0.089 0.000 0.849 600 V HN 0.259 nan 8.190 nan 0.000 0.475 601 N N 1.499 120.145 118.700 -0.089 0.000 1.276 601 N HA -0.399 4.514 4.740 0.287 0.000 0.137 601 N C 1.187 176.669 175.510 -0.046 0.000 0.642 601 N CA 2.752 55.763 53.050 -0.064 0.000 0.986 601 N CB -1.494 36.950 38.487 -0.072 0.000 1.277 601 N HN 0.445 nan 8.380 nan 0.000 0.495 602 A N -0.786 122.006 122.820 -0.045 0.000 2.167 602 A HA 0.046 4.539 4.320 0.287 0.000 0.214 602 A C 1.025 178.591 177.584 -0.031 0.000 1.151 602 A CA 1.639 53.657 52.037 -0.031 0.000 0.735 602 A CB -0.172 18.808 19.000 -0.033 0.000 0.802 602 A HN 0.566 nan 8.150 nan 0.000 0.467 603 D N -0.683 119.687 120.400 -0.049 0.000 2.368 603 D HA 0.149 4.961 4.640 0.287 0.000 0.218 603 D C -0.203 176.055 176.300 -0.069 0.000 1.112 603 D CA -0.115 53.852 54.000 -0.054 0.000 0.834 603 D CB 0.256 41.013 40.800 -0.072 0.000 0.953 603 D HN 0.319 nan 8.370 nan 0.000 0.505 604 L N 2.286 123.476 121.223 -0.055 0.000 2.361 604 L HA 0.286 4.799 4.340 0.287 0.000 0.278 604 L C -2.358 174.506 176.870 -0.010 0.000 1.113 604 L CA -1.321 53.485 54.840 -0.057 0.000 0.849 604 L CB 0.531 42.571 42.059 -0.031 0.000 1.155 604 L HN -0.273 nan 8.230 nan 0.000 0.452 605 P HA -0.020 nan 4.420 nan 0.000 0.269 605 P C -0.138 177.201 177.300 0.064 0.000 1.209 605 P CA 0.100 63.230 63.100 0.050 0.000 0.776 605 P CB 0.297 32.030 31.700 0.055 0.000 0.876 606 Y N 2.531 122.852 120.300 0.035 0.000 2.224 606 Y HA -0.218 4.504 4.550 0.287 0.000 0.289 606 Y C 1.807 177.740 175.900 0.055 0.000 1.146 606 Y CA 1.769 59.891 58.100 0.037 0.000 1.182 606 Y CB -0.187 38.289 38.460 0.027 0.000 0.983 606 Y HN 0.434 nan 8.280 nan 0.000 0.524 607 E N -0.434 119.763 120.200 -0.005 0.000 2.204 607 E HA -0.186 4.337 4.350 0.287 0.000 0.195 607 E C 1.922 178.472 176.600 -0.084 0.000 0.990 607 E CA 1.024 57.402 56.400 -0.038 0.000 0.821 607 E CB -0.049 29.723 29.700 0.120 0.000 0.750 607 E HN 0.463 nan 8.360 nan 0.000 0.477 608 I N 1.013 121.564 120.570 -0.031 0.000 2.406 608 I HA -0.169 4.173 4.170 0.287 0.000 0.249 608 I C 2.375 178.484 176.117 -0.014 0.000 1.122 608 I CA 1.068 62.404 61.300 0.061 0.000 1.431 608 I CB -1.009 37.051 38.000 0.099 0.000 1.087 608 I HN 0.147 nan 8.210 nan 0.000 0.424 609 E N 1.218 121.330 120.200 -0.147 0.000 2.110 609 E HA -0.269 4.253 4.350 0.287 0.000 0.193 609 E C 2.385 178.787 176.600 -0.330 0.000 0.988 609 E CA 1.151 57.432 56.400 -0.197 0.000 0.804 609 E CB 0.064 29.640 29.700 -0.206 0.000 0.745 609 E HN 0.326 nan 8.360 nan 0.000 0.458 610 R N 0.322 120.482 120.500 -0.567 0.000 2.075 610 R HA -0.121 4.392 4.340 0.287 0.000 0.232 610 R C 2.046 178.180 176.300 -0.276 0.000 1.126 610 R CA 1.397 57.227 56.100 -0.450 0.000 0.963 610 R CB 0.058 30.072 30.300 -0.477 0.000 0.858 610 R HN 0.063 nan 8.270 nan 0.000 0.435 611 E N 0.828 120.864 120.200 -0.274 0.000 2.153 611 E HA -0.193 4.329 4.350 0.287 0.000 0.194 611 E C 1.927 178.117 176.600 -0.683 0.000 0.988 611 E CA 0.744 56.897 56.400 -0.411 0.000 0.811 611 E CB -0.253 29.239 29.700 -0.346 0.000 0.746 611 E HN 0.276 nan 8.360 nan 0.000 0.466 612 L N 1.292 122.200 121.223 -0.525 0.000 2.017 612 L HA -0.138 4.374 4.340 0.287 0.000 0.208 612 L C 2.273 179.022 176.870 -0.202 0.000 1.073 612 L CA 1.693 56.330 54.840 -0.338 0.000 0.745 612 L CB -0.239 41.831 42.059 0.018 0.000 0.894 612 L HN -0.091 nan 8.230 nan 0.000 0.432 613 R N -0.589 119.814 120.500 -0.162 0.000 2.081 613 R HA -0.118 4.395 4.340 0.287 0.000 0.235 613 R C 2.248 178.472 176.300 -0.126 0.000 1.131 613 R CA 1.356 57.393 56.100 -0.105 0.000 0.960 613 R CB -0.626 29.630 30.300 -0.073 0.000 0.856 613 R HN 0.548 nan 8.270 nan 0.000 0.436 614 A N 0.902 123.612 122.820 -0.183 0.000 1.930 614 A HA -0.121 4.372 4.320 0.287 0.000 0.217 614 A C 2.037 179.499 177.584 -0.204 0.000 1.175 614 A CA 0.884 52.813 52.037 -0.180 0.000 0.627 614 A CB -0.357 18.518 19.000 -0.207 0.000 0.815 614 A HN 0.246 nan 8.150 nan 0.000 0.443 615 L N -0.041 121.025 121.223 -0.261 0.000 2.056 615 L HA -0.105 4.408 4.340 0.287 0.000 0.207 615 L C 2.155 178.966 176.870 -0.098 0.000 1.078 615 L CA 2.170 56.889 54.840 -0.202 0.000 0.749 615 L CB -0.523 41.419 42.059 -0.194 0.000 0.901 615 L HN 0.306 nan 8.230 nan 0.000 0.433 616 K N -0.820 119.540 120.400 -0.066 0.000 2.063 616 K HA -0.264 4.229 4.320 0.287 0.000 0.208 616 K C 2.187 178.767 176.600 -0.033 0.000 1.048 616 K CA 1.795 58.071 56.287 -0.018 0.000 0.928 616 K CB -0.209 32.284 32.500 -0.012 0.000 0.713 616 K HN 0.356 nan 8.250 nan 0.000 0.442 617 Q N 1.210 120.976 119.800 -0.057 0.000 2.046 617 Q HA -0.102 4.410 4.340 0.287 0.000 0.200 617 Q C 1.889 177.853 176.000 -0.061 0.000 0.975 617 Q CA 1.544 57.316 55.803 -0.052 0.000 0.836 617 Q CB 0.069 28.771 28.738 -0.059 0.000 0.896 617 Q HN 0.174 nan 8.270 nan 0.000 0.428 618 R N -0.393 120.051 120.500 -0.093 0.000 2.096 618 R HA -0.068 4.444 4.340 0.287 0.000 0.235 618 R C 2.326 178.577 176.300 -0.083 0.000 1.127 618 R CA 1.518 57.554 56.100 -0.107 0.000 0.968 618 R CB -0.396 29.805 30.300 -0.164 0.000 0.861 618 R HN 0.347 nan 8.270 nan 0.000 0.440 619 I N 0.777 121.311 120.570 -0.060 0.000 2.286 619 I HA -0.274 4.068 4.170 0.287 0.000 0.248 619 I C 2.571 178.689 176.117 0.001 0.000 1.115 619 I CA 1.461 62.754 61.300 -0.012 0.000 1.392 619 I CB -0.308 37.722 38.000 0.049 0.000 1.065 619 I HN 0.221 nan 8.210 nan 0.000 0.418 620 S N 0.241 115.937 115.700 -0.006 0.000 2.447 620 S HA -0.171 4.472 4.470 0.287 0.000 0.233 620 S C 1.772 176.368 174.600 -0.007 0.000 1.006 620 S CA 0.780 58.979 58.200 -0.001 0.000 0.957 620 S CB -0.185 63.012 63.200 -0.006 0.000 0.773 620 S HN 0.417 nan 8.310 nan 0.000 0.507 621 Q N 0.476 120.265 119.800 -0.019 0.000 2.403 621 Q HA 0.359 4.871 4.340 0.287 0.000 0.203 621 Q C 0.556 176.546 176.000 -0.017 0.000 0.932 621 Q CA 0.050 55.841 55.803 -0.020 0.000 0.945 621 Q CB -0.279 28.441 28.738 -0.030 0.000 1.045 621 Q HN 0.667 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.592 119.600 -0.013 0.000 2.572 622 M HA 0.000 4.652 4.480 0.287 0.000 0.227 622 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 622 M CB 0.000 32.604 32.600 0.007 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411