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 1ser_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVDLKRLRQE PEVFHRAIRE KGVALDLEAL LALDREVQXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXREK EARLEALLLQ DATA SEQUENCE VPLPPWPGAP VGGEEANREI KRVGGPPEFS FPPLDHVALM EKNGWWEPRI DATA SEQUENCE SQVSGSRSYA LKGDLALYEL ALLRFAMDFM ARRGFLPMTL PSYAREKAFL DATA SEQUENCE GTGHFPAYRD QVWAIAETDL YLTGTAEVVL NALHSGEILP YEALPLRYAG DATA SEQUENCE YAPAFRSEAG SFGKDVRGLM RVHQFHKVEQ YVLTEASLEA SDRAFQELLE DATA SEQUENCE NAEEILRLLE LPYRLVEVAT GDMGPGKWRQ VDIEVYLPSE GRYRETHSCS DATA SEQUENCE ALLDWQARRA NLRYRDPEGR VRYAYTLNNT ALATPRILAM LLENHQLQDG DATA SEQUENCE RVRVPQALIP YMGKEVLEPC G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.156 176.300 -0.241 0.000 1.140 1 M CA 0.000 54.940 55.300 -0.600 0.000 0.988 1 M CB 0.000 32.350 32.600 -0.416 0.000 1.302 2 V N 0.758 120.625 119.914 -0.078 0.000 2.962 2 V HA 0.428 4.548 4.120 -0.000 0.000 0.313 2 V C -1.452 174.590 176.094 -0.087 0.000 1.099 2 V CA -0.366 61.943 62.300 0.015 0.000 0.971 2 V CB 2.271 34.152 31.823 0.097 0.000 1.028 2 V HN 0.855 nan 8.190 nan 0.000 0.430 3 D N 4.170 124.543 120.400 -0.045 0.000 2.348 3 D HA 0.051 4.691 4.640 -0.000 0.000 0.259 3 D C 1.223 177.469 176.300 -0.090 0.000 1.296 3 D CA 0.068 54.035 54.000 -0.055 0.000 0.931 3 D CB 0.646 41.452 40.800 0.009 0.000 1.067 3 D HN 0.488 nan 8.370 nan 0.000 0.503 4 L N 4.407 125.568 121.223 -0.103 0.000 2.103 4 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 4 L C 1.938 178.761 176.870 -0.078 0.000 1.080 4 L CA 1.801 56.575 54.840 -0.109 0.000 0.764 4 L CB -0.424 41.590 42.059 -0.074 0.000 0.890 4 L HN 0.475 nan 8.230 nan 0.000 0.435 5 K N 1.398 121.777 120.400 -0.036 0.000 1.969 5 K HA -0.230 4.090 4.320 -0.000 0.000 0.216 5 K C 2.039 178.644 176.600 0.007 0.000 1.048 5 K CA 2.434 58.717 56.287 -0.005 0.000 0.948 5 K CB -0.315 32.195 32.500 0.016 0.000 0.726 5 K HN 0.539 nan 8.250 nan 0.000 0.442 6 R N 0.846 121.366 120.500 0.034 0.000 2.307 6 R HA -0.006 4.334 4.340 -0.000 0.000 0.199 6 R C 2.200 178.560 176.300 0.100 0.000 1.000 6 R CA 0.679 56.837 56.100 0.095 0.000 1.023 6 R CB -0.651 29.742 30.300 0.155 0.000 0.908 6 R HN 0.166 nan 8.270 nan 0.000 0.473 7 L N 2.089 123.247 121.223 -0.108 0.000 1.961 7 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 7 L C 2.311 179.119 176.870 -0.104 0.000 1.072 7 L CA 1.944 56.561 54.840 -0.372 0.000 0.749 7 L CB -0.546 41.188 42.059 -0.541 0.000 0.889 7 L HN 0.322 nan 8.230 nan 0.000 0.432 8 R N -0.875 119.582 120.500 -0.070 0.000 2.148 8 R HA -0.157 4.183 4.340 -0.000 0.000 0.227 8 R C 2.110 178.431 176.300 0.035 0.000 1.103 8 R CA 1.401 57.494 56.100 -0.011 0.000 0.983 8 R CB -0.904 29.387 30.300 -0.015 0.000 0.874 8 R HN 0.579 nan 8.270 nan 0.000 0.451 9 Q N 1.067 120.896 119.800 0.048 0.000 2.378 9 Q HA -0.028 4.312 4.340 -0.000 0.000 0.205 9 Q C 0.011 176.073 176.000 0.103 0.000 0.954 9 Q CA 0.971 56.814 55.803 0.068 0.000 0.901 9 Q CB 0.499 29.276 28.738 0.064 0.000 0.981 9 Q HN 0.496 nan 8.270 nan 0.000 0.483 10 E N -0.641 119.654 120.200 0.159 0.000 4.120 10 E HA 0.134 4.484 4.350 -0.000 0.000 0.202 10 E C -2.237 174.527 176.600 0.274 0.000 1.067 10 E CA -1.217 55.298 56.400 0.193 0.000 1.424 10 E CB 1.166 30.985 29.700 0.198 0.000 1.164 10 E HN 0.185 nan 8.360 nan 0.000 0.439 11 P HA -0.204 nan 4.420 nan 0.000 0.223 11 P C 1.227 178.737 177.300 0.350 0.000 1.144 11 P CA 0.872 64.145 63.100 0.290 0.000 0.783 11 P CB 0.330 32.160 31.700 0.217 0.000 0.771 12 E N 0.095 120.452 120.200 0.262 0.000 2.072 12 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 12 E C 1.809 178.480 176.600 0.118 0.000 0.985 12 E CA 1.073 57.598 56.400 0.210 0.000 0.801 12 E CB -0.364 29.399 29.700 0.105 0.000 0.750 12 E HN 0.032 nan 8.360 nan 0.000 0.452 13 V N 0.758 120.682 119.914 0.017 0.000 2.332 13 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 13 V C 2.220 178.097 176.094 -0.361 0.000 1.055 13 V CA 1.848 64.023 62.300 -0.209 0.000 1.038 13 V CB -0.774 30.832 31.823 -0.362 0.000 0.651 13 V HN 0.178 nan 8.190 nan 0.000 0.450 14 F N -0.908 119.058 119.950 0.026 0.000 2.206 14 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 14 F C 2.547 178.323 175.800 -0.041 0.000 1.090 14 F CA 1.455 59.441 58.000 -0.022 0.000 1.323 14 F CB -0.726 38.229 39.000 -0.074 0.000 1.028 14 F HN 0.181 nan 8.300 nan 0.000 0.492 15 H N -0.059 119.102 119.070 0.151 0.000 2.321 15 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 15 H C 2.520 177.870 175.328 0.036 0.000 1.087 15 H CA 1.562 57.663 56.048 0.088 0.000 1.319 15 H CB -0.304 29.498 29.762 0.068 0.000 1.379 15 H HN 0.146 nan 8.280 nan 0.000 0.501 16 R N 0.835 121.410 120.500 0.125 0.000 2.083 16 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 16 R C 2.372 178.672 176.300 -0.000 0.000 1.137 16 R CA 1.281 57.402 56.100 0.035 0.000 0.951 16 R CB -0.230 30.065 30.300 -0.008 0.000 0.851 16 R HN 0.258 nan 8.270 nan 0.000 0.434 17 A N 1.301 124.100 122.820 -0.034 0.000 1.883 17 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 17 A C 2.237 179.824 177.584 0.006 0.000 1.186 17 A CA 1.589 53.599 52.037 -0.044 0.000 0.624 17 A CB -0.570 18.377 19.000 -0.088 0.000 0.822 17 A HN 0.378 nan 8.150 nan 0.000 0.444 18 I N -0.884 119.714 120.570 0.047 0.000 2.286 18 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 18 I C 2.668 178.809 176.117 0.040 0.000 1.115 18 I CA 1.595 62.927 61.300 0.053 0.000 1.392 18 I CB -0.353 37.690 38.000 0.071 0.000 1.065 18 I HN 0.449 nan 8.210 nan 0.000 0.418 19 R N 1.731 122.258 120.500 0.045 0.000 2.096 19 R HA -0.230 4.110 4.340 -0.000 0.000 0.229 19 R C 2.041 178.345 176.300 0.007 0.000 1.134 19 R CA 2.212 58.330 56.100 0.030 0.000 0.917 19 R CB -0.327 29.991 30.300 0.030 0.000 0.832 19 R HN 0.328 nan 8.270 nan 0.000 0.430 20 E N -0.083 120.112 120.200 -0.010 0.000 2.265 20 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 20 E C 1.763 178.349 176.600 -0.023 0.000 0.996 20 E CA 1.083 57.468 56.400 -0.027 0.000 0.832 20 E CB 0.134 29.805 29.700 -0.050 0.000 0.756 20 E HN 0.385 nan 8.360 nan 0.000 0.491 21 K N -0.610 119.781 120.400 -0.015 0.000 2.361 21 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 21 K C 0.721 177.320 176.600 -0.002 0.000 1.032 21 K CA 0.443 56.722 56.287 -0.013 0.000 1.048 21 K CB 0.835 33.324 32.500 -0.019 0.000 0.842 21 K HN 0.182 nan 8.250 nan 0.000 0.526 22 G N 2.026 110.829 108.800 0.005 0.000 2.272 22 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.280 22 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.280 22 G C -0.070 174.837 174.900 0.011 0.000 1.067 22 G CA -0.031 45.075 45.100 0.009 0.000 0.902 22 G HN 0.088 nan 8.290 nan 0.000 0.500 23 V N -0.030 119.894 119.914 0.017 0.000 2.644 23 V HA 0.717 4.837 4.120 -0.000 0.000 0.295 23 V C 0.958 177.065 176.094 0.022 0.000 1.053 23 V CA -0.099 62.211 62.300 0.017 0.000 0.987 23 V CB 1.842 33.681 31.823 0.028 0.000 1.006 23 V HN 1.217 nan 8.190 nan 0.000 0.472 24 A N 5.411 128.240 122.820 0.015 0.000 2.650 24 A HA 0.706 5.026 4.320 -0.000 0.000 0.320 24 A C -0.795 176.802 177.584 0.022 0.000 1.466 24 A CA -0.060 51.987 52.037 0.017 0.000 1.099 24 A CB -0.434 18.570 19.000 0.008 0.000 1.136 24 A HN 0.711 nan 8.150 nan 0.000 0.532 25 L N 1.832 123.074 121.223 0.031 0.000 2.565 25 L HA 0.460 4.800 4.340 -0.000 0.000 0.261 25 L C -1.525 175.371 176.870 0.042 0.000 0.932 25 L CA -0.226 54.633 54.840 0.031 0.000 0.878 25 L CB 2.418 44.495 42.059 0.030 0.000 1.333 25 L HN 0.528 nan 8.230 nan 0.000 0.409 26 D N 3.305 123.730 120.400 0.042 0.000 2.443 26 D HA 0.223 4.863 4.640 -0.000 0.000 0.221 26 D C 0.900 177.233 176.300 0.056 0.000 1.097 26 D CA -0.373 53.668 54.000 0.068 0.000 0.865 26 D CB 1.118 41.954 40.800 0.061 0.000 1.034 26 D HN 0.533 nan 8.370 nan 0.000 0.511 27 L N 3.759 125.011 121.223 0.047 0.000 2.187 27 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 27 L C 1.702 178.595 176.870 0.038 0.000 1.100 27 L CA 1.754 56.571 54.840 -0.039 0.000 0.765 27 L CB -0.252 41.606 42.059 -0.335 0.000 0.904 27 L HN 0.456 nan 8.230 nan 0.000 0.437 28 E N -0.217 120.066 120.200 0.138 0.000 2.153 28 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 28 E C 2.211 178.844 176.600 0.056 0.000 0.988 28 E CA 1.215 57.682 56.400 0.111 0.000 0.811 28 E CB -0.375 29.393 29.700 0.114 0.000 0.746 28 E HN 0.636 nan 8.360 nan 0.000 0.466 29 A N 1.137 123.983 122.820 0.043 0.000 1.898 29 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 29 A C 2.291 179.882 177.584 0.013 0.000 1.181 29 A CA 1.014 53.066 52.037 0.025 0.000 0.620 29 A CB -0.603 18.411 19.000 0.023 0.000 0.819 29 A HN 0.274 nan 8.150 nan 0.000 0.442 30 L N -0.457 120.769 121.223 0.005 0.000 1.994 30 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 30 L C 2.322 179.184 176.870 -0.014 0.000 1.071 30 L CA 1.476 56.309 54.840 -0.011 0.000 0.745 30 L CB -0.266 41.776 42.059 -0.027 0.000 0.892 30 L HN 0.385 nan 8.230 nan 0.000 0.431 31 L N -0.196 121.022 121.223 -0.008 0.000 2.187 31 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 31 L C 2.719 179.593 176.870 0.006 0.000 1.100 31 L CA 0.961 55.799 54.840 -0.002 0.000 0.765 31 L CB -0.754 41.317 42.059 0.020 0.000 0.904 31 L HN 0.430 nan 8.230 nan 0.000 0.437 32 A N 0.015 122.842 122.820 0.012 0.000 1.855 32 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 32 A C 2.217 179.804 177.584 0.005 0.000 1.191 32 A CA 1.198 53.242 52.037 0.011 0.000 0.613 32 A CB -0.645 18.363 19.000 0.014 0.000 0.829 32 A HN 0.313 nan 8.150 nan 0.000 0.442 33 L N -0.252 120.972 121.223 0.001 0.000 2.079 33 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 33 L C 0.913 177.780 176.870 -0.005 0.000 1.081 33 L CA 1.326 56.165 54.840 -0.002 0.000 0.752 33 L CB -0.363 41.694 42.059 -0.004 0.000 0.896 33 L HN 0.443 nan 8.230 nan 0.000 0.433 34 D N -0.542 119.852 120.400 -0.010 0.000 2.517 34 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 34 D C 0.847 177.143 176.300 -0.006 0.000 1.158 34 D CA 0.181 54.173 54.000 -0.013 0.000 0.992 34 D CB 0.305 41.090 40.800 -0.025 0.000 1.058 34 D HN -0.051 nan 8.370 nan 0.000 0.516 35 R N 1.693 122.192 120.500 -0.003 0.000 2.721 35 R HA -0.025 4.315 4.340 -0.000 0.000 0.030 35 R C 1.271 177.572 176.300 0.001 0.000 0.818 35 R CA 0.163 56.264 56.100 0.001 0.000 3.192 35 R CB -0.339 29.964 30.300 0.005 0.000 0.977 35 R HN 0.293 nan 8.270 nan 0.000 0.543 36 E N 1.183 121.384 120.200 0.002 0.000 2.204 36 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 36 E C 1.444 178.044 176.600 0.001 0.000 0.990 36 E CA 1.528 57.929 56.400 0.002 0.000 0.821 36 E CB 0.193 29.894 29.700 0.002 0.000 0.750 36 E HN -0.000 nan 8.360 nan 0.000 0.477 37 V N 1.941 121.854 119.914 -0.001 0.000 3.241 37 V HA -0.167 3.953 4.120 -0.000 0.000 0.269 37 V C 1.089 177.183 176.094 -0.000 0.000 1.151 37 V CA 0.865 63.164 62.300 -0.001 0.000 1.158 37 V CB -0.647 31.174 31.823 -0.004 0.000 0.764 37 V HN 0.191 nan 8.190 nan 0.000 0.508 89 E N 1.685 121.887 120.200 0.003 0.000 2.136 89 E HA -0.321 4.029 4.350 -0.000 0.000 0.202 89 E C 0.757 177.358 176.600 0.002 0.000 1.019 89 E CA 2.248 58.650 56.400 0.003 0.000 0.819 89 E CB -0.017 29.685 29.700 0.003 0.000 0.739 89 E HN 0.367 nan 8.360 nan 0.000 0.458 90 K N 0.956 121.357 120.400 0.002 0.000 2.074 90 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 90 K C 2.106 178.706 176.600 -0.001 0.000 1.048 90 K CA 1.741 58.028 56.287 0.000 0.000 0.926 90 K CB -0.422 32.078 32.500 0.000 0.000 0.713 90 K HN 0.280 nan 8.250 nan 0.000 0.444 91 E N 0.442 120.641 120.200 -0.000 0.000 2.026 91 E HA -0.261 4.089 4.350 -0.000 0.000 0.206 91 E C 1.841 178.440 176.600 -0.001 0.000 1.028 91 E CA 2.066 58.465 56.400 -0.001 0.000 0.845 91 E CB -0.368 29.333 29.700 0.001 0.000 0.772 91 E HN 0.297 nan 8.360 nan 0.000 0.462 92 A N 0.305 123.126 122.820 0.001 0.000 1.968 92 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 92 A C 2.234 179.818 177.584 0.001 0.000 1.169 92 A CA 1.491 53.529 52.037 0.002 0.000 0.638 92 A CB -0.551 18.453 19.000 0.006 0.000 0.812 92 A HN 0.277 nan 8.150 nan 0.000 0.446 93 R N -0.760 119.740 120.500 0.000 0.000 2.075 93 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 93 R C 2.005 178.303 176.300 -0.003 0.000 1.126 93 R CA 1.580 57.680 56.100 -0.000 0.000 0.963 93 R CB -0.366 29.935 30.300 0.001 0.000 0.858 93 R HN 0.435 nan 8.270 nan 0.000 0.435 94 L N 1.373 122.593 121.223 -0.006 0.000 2.046 94 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 94 L C 1.802 178.663 176.870 -0.015 0.000 1.077 94 L CA 1.886 56.719 54.840 -0.012 0.000 0.747 94 L CB -0.424 41.627 42.059 -0.014 0.000 0.896 94 L HN 0.103 nan 8.230 nan 0.000 0.432 95 E N -0.014 120.179 120.200 -0.012 0.000 2.049 95 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 95 E C 2.223 178.816 176.600 -0.011 0.000 1.007 95 E CA 1.758 58.149 56.400 -0.015 0.000 0.809 95 E CB -0.608 29.087 29.700 -0.008 0.000 0.749 95 E HN 0.607 nan 8.360 nan 0.000 0.450 96 A N 0.161 122.979 122.820 -0.003 0.000 1.972 96 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 96 A C 2.181 179.767 177.584 0.003 0.000 1.169 96 A CA 1.139 53.177 52.037 0.003 0.000 0.635 96 A CB -0.549 18.454 19.000 0.004 0.000 0.810 96 A HN 0.226 nan 8.150 nan 0.000 0.446 97 L N -1.007 120.215 121.223 -0.002 0.000 2.072 97 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 97 L C 2.498 179.366 176.870 -0.005 0.000 1.079 97 L CA 0.437 55.276 54.840 -0.001 0.000 0.752 97 L CB -0.429 41.627 42.059 -0.006 0.000 0.906 97 L HN 0.319 nan 8.230 nan 0.000 0.436 98 L N 0.417 121.628 121.223 -0.019 0.000 2.046 98 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 98 L C 2.352 179.211 176.870 -0.020 0.000 1.077 98 L CA 1.821 56.640 54.840 -0.035 0.000 0.747 98 L CB -0.749 41.279 42.059 -0.052 0.000 0.896 98 L HN 0.290 nan 8.230 nan 0.000 0.432 99 L N -0.900 120.313 121.223 -0.016 0.000 2.642 99 L HA -0.193 4.147 4.340 -0.000 0.000 0.236 99 L C 1.853 178.769 176.870 0.077 0.000 1.169 99 L CA 0.556 55.389 54.840 -0.011 0.000 0.851 99 L CB -0.355 41.698 42.059 -0.009 0.000 0.968 99 L HN 0.430 nan 8.230 nan 0.000 0.453 100 Q N -0.978 118.873 119.800 0.086 0.000 2.247 100 Q HA 0.150 4.490 4.340 -0.000 0.000 0.211 100 Q C 0.175 176.267 176.000 0.153 0.000 0.861 100 Q CA -0.218 55.657 55.803 0.121 0.000 0.949 100 Q CB 1.044 29.819 28.738 0.062 0.000 1.115 100 Q HN 0.226 nan 8.270 nan 0.000 0.507 101 V N 4.556 124.564 119.914 0.156 0.000 2.555 101 V HA 0.128 4.248 4.120 -0.000 0.000 0.286 101 V C -1.779 174.513 176.094 0.331 0.000 1.044 101 V CA -1.209 61.195 62.300 0.173 0.000 1.026 101 V CB 0.492 32.353 31.823 0.063 0.000 0.981 101 V HN 0.126 nan 8.190 nan 0.000 0.480 102 P HA 0.270 nan 4.420 nan 0.000 0.278 102 P C -0.783 176.643 177.300 0.210 0.000 1.258 102 P CA -0.663 62.532 63.100 0.158 0.000 0.811 102 P CB 1.444 33.181 31.700 0.062 0.000 1.063 103 L N 3.293 124.501 121.223 -0.025 0.000 2.326 103 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 103 L C -2.358 174.543 176.870 0.051 0.000 1.092 103 L CA -2.292 52.595 54.840 0.078 0.000 0.810 103 L CB 0.319 42.346 42.059 -0.054 0.000 1.153 103 L HN 0.226 nan 8.230 nan 0.000 0.439 104 P HA 0.092 nan 4.420 nan 0.000 0.262 104 P C -2.445 174.898 177.300 0.071 0.000 1.199 104 P CA -0.611 62.479 63.100 -0.015 0.000 0.763 104 P CB -0.057 31.582 31.700 -0.102 0.000 0.790 105 P HA -0.055 nan 4.420 nan 0.000 0.269 105 P C -0.162 176.845 177.300 -0.489 0.000 1.217 105 P CA -0.193 62.802 63.100 -0.174 0.000 0.783 105 P CB 0.421 32.029 31.700 -0.154 0.000 0.898 106 W N 4.229 124.782 121.300 -1.246 0.000 2.181 106 W HA 0.139 4.799 4.660 -0.000 0.000 0.335 106 W C -1.871 174.211 176.519 -0.728 0.000 1.310 106 W CA -2.250 54.093 57.345 -1.669 0.000 1.226 106 W CB -1.334 27.030 29.460 -1.825 0.000 1.155 106 W HN 0.378 nan 8.180 nan 0.000 0.565 107 P HA -0.178 nan 4.420 nan 0.000 0.218 107 P C 1.505 178.194 177.300 -1.018 0.000 1.146 107 P CA 2.606 65.325 63.100 -0.636 0.000 0.820 107 P CB -0.305 31.186 31.700 -0.347 0.000 0.778 108 G N -0.579 106.987 108.800 -2.057 0.000 2.920 108 G HA2 0.253 4.213 3.960 -0.000 0.000 0.208 108 G HA3 0.253 4.213 3.960 -0.000 0.000 0.208 108 G C 0.652 174.801 174.900 -1.251 0.000 1.159 108 G CA 0.228 44.210 45.100 -1.863 0.000 0.784 108 G HN 0.497 nan 8.290 nan 0.000 0.535 109 A N 1.676 123.790 122.820 -1.178 0.000 2.409 109 A HA 0.572 4.892 4.320 -0.000 0.000 0.262 109 A C -1.857 175.562 177.584 -0.274 0.000 1.113 109 A CA -1.201 50.596 52.037 -0.401 0.000 0.790 109 A CB 0.346 19.213 19.000 -0.221 0.000 1.046 109 A HN 0.168 nan 8.150 nan 0.000 0.496 110 P HA 0.134 nan 4.420 nan 0.000 0.265 110 P C -0.467 176.774 177.300 -0.098 0.000 1.193 110 P CA 0.156 63.191 63.100 -0.110 0.000 0.765 110 P CB 0.483 32.147 31.700 -0.060 0.000 0.823 111 V N 2.987 122.842 119.914 -0.098 0.000 2.509 111 V HA 0.755 4.875 4.120 -0.000 0.000 0.284 111 V C 0.951 177.013 176.094 -0.052 0.000 1.047 111 V CA 0.635 62.887 62.300 -0.079 0.000 0.952 111 V CB 0.464 32.238 31.823 -0.083 0.000 0.988 111 V HN 1.100 nan 8.190 nan 0.000 0.469 112 G N 2.809 111.587 108.800 -0.038 0.000 2.339 112 G HA2 0.445 4.405 3.960 -0.000 0.000 0.381 112 G HA3 0.445 4.405 3.960 -0.000 0.000 0.381 112 G C -0.221 174.671 174.900 -0.013 0.000 1.400 112 G CA -0.306 44.780 45.100 -0.023 0.000 1.002 112 G HN 1.029 nan 8.290 nan 0.000 0.633 113 G N -1.099 107.699 108.800 -0.003 0.000 2.546 113 G HA2 0.492 4.452 3.960 -0.000 0.000 0.239 113 G HA3 0.492 4.452 3.960 -0.000 0.000 0.239 113 G C 1.069 175.975 174.900 0.011 0.000 1.476 113 G CA 1.007 46.111 45.100 0.006 0.000 1.064 113 G HN 1.118 nan 8.290 nan 0.000 0.561 114 E N 0.138 120.351 120.200 0.022 0.000 2.095 114 E HA -0.288 4.062 4.350 -0.000 0.000 0.212 114 E C 1.973 178.587 176.600 0.024 0.000 1.044 114 E CA 1.977 58.394 56.400 0.029 0.000 0.857 114 E CB -0.198 29.528 29.700 0.043 0.000 0.764 114 E HN 0.504 nan 8.360 nan 0.000 0.462 115 E N 0.400 120.613 120.200 0.021 0.000 2.533 115 E HA -0.081 4.269 4.350 -0.000 0.000 0.201 115 E C 0.835 177.439 176.600 0.006 0.000 1.097 115 E CA 0.921 57.331 56.400 0.016 0.000 0.887 115 E CB 0.152 29.862 29.700 0.017 0.000 0.855 115 E HN 0.348 nan 8.360 nan 0.000 0.540 116 A N 0.546 123.367 122.820 0.002 0.000 2.387 116 A HA 0.121 4.441 4.320 -0.000 0.000 0.234 116 A C 0.438 178.018 177.584 -0.006 0.000 1.253 116 A CA -0.521 51.511 52.037 -0.008 0.000 0.894 116 A CB -0.526 18.463 19.000 -0.018 0.000 0.963 116 A HN 0.215 nan 8.150 nan 0.000 0.508 117 N N 1.219 119.921 118.700 0.005 0.000 2.483 117 N HA 0.110 4.850 4.740 -0.000 0.000 0.264 117 N C -0.019 175.493 175.510 0.005 0.000 1.197 117 N CA 0.064 53.120 53.050 0.010 0.000 0.927 117 N CB 0.504 39.002 38.487 0.018 0.000 1.065 117 N HN 0.348 nan 8.380 nan 0.000 0.461 118 R N 2.585 123.089 120.500 0.007 0.000 2.295 118 R HA 0.081 4.421 4.340 -0.000 0.000 0.324 118 R C -0.481 175.816 176.300 -0.006 0.000 0.968 118 R CA -0.550 55.549 56.100 -0.002 0.000 0.837 118 R CB 0.815 31.114 30.300 -0.002 0.000 1.133 118 R HN 0.582 nan 8.270 nan 0.000 0.450 119 E N 4.335 124.522 120.200 -0.023 0.000 2.465 119 E HA -0.067 4.283 4.350 -0.000 0.000 0.260 119 E C 0.396 176.977 176.600 -0.032 0.000 0.980 119 E CA 0.106 56.479 56.400 -0.045 0.000 0.927 119 E CB 0.657 30.314 29.700 -0.073 0.000 0.934 119 E HN 0.663 nan 8.360 nan 0.000 0.459 120 I N 3.890 124.444 120.570 -0.027 0.000 2.556 120 I HA 0.028 4.197 4.170 -0.000 0.000 0.251 120 I C 0.652 176.751 176.117 -0.031 0.000 1.105 120 I CA 0.577 61.872 61.300 -0.008 0.000 1.436 120 I CB -0.066 37.946 38.000 0.019 0.000 1.139 120 I HN 0.565 nan 8.210 nan 0.000 0.438 121 K N 1.399 121.763 120.400 -0.060 0.000 2.685 121 K HA 0.485 4.805 4.320 -0.000 0.000 0.290 121 K C -1.301 175.205 176.600 -0.157 0.000 1.018 121 K CA -0.992 55.242 56.287 -0.089 0.000 0.860 121 K CB 1.775 34.237 32.500 -0.063 0.000 1.498 121 K HN 0.065 nan 8.250 nan 0.000 0.390 122 R N 0.278 120.655 120.500 -0.204 0.000 2.621 122 R HA 0.669 5.009 4.340 -0.000 0.000 0.284 122 R C -1.585 174.511 176.300 -0.339 0.000 0.998 122 R CA -1.015 54.899 56.100 -0.309 0.000 0.895 122 R CB 2.204 32.327 30.300 -0.295 0.000 1.195 122 R HN 0.277 nan 8.270 nan 0.000 0.450 123 V N 2.045 121.623 119.914 -0.561 0.000 2.531 123 V HA 0.824 4.944 4.120 -0.000 0.000 0.301 123 V C 0.436 176.294 176.094 -0.393 0.000 1.034 123 V CA 0.241 62.232 62.300 -0.515 0.000 0.865 123 V CB 1.116 32.498 31.823 -0.735 0.000 0.995 123 V HN 1.199 nan 8.190 nan 0.000 0.424 124 G N 3.201 111.885 108.800 -0.193 0.000 2.707 124 G HA2 0.416 4.376 3.960 -0.000 0.000 0.686 124 G HA3 0.416 4.376 3.960 -0.000 0.000 0.686 124 G C -0.212 174.633 174.900 -0.092 0.000 1.315 124 G CA -0.250 44.790 45.100 -0.099 0.000 0.832 124 G HN 1.543 nan 8.290 nan 0.000 0.573 125 G N 0.356 109.106 108.800 -0.083 0.000 2.612 125 G HA2 0.924 4.884 3.960 -0.000 0.000 0.298 125 G HA3 0.924 4.884 3.960 -0.000 0.000 0.298 125 G C -1.718 173.091 174.900 -0.151 0.000 1.336 125 G CA -0.223 44.801 45.100 -0.127 0.000 0.953 125 G HN 0.829 nan 8.290 nan 0.000 0.482 126 P HA 0.134 nan 4.420 nan 0.000 0.272 126 P C -2.534 174.662 177.300 -0.172 0.000 1.225 126 P CA -0.398 62.562 63.100 -0.234 0.000 0.800 126 P CB -0.235 31.241 31.700 -0.373 0.000 0.894 127 P HA 0.313 nan 4.420 nan 0.000 0.281 127 P C -0.678 176.231 177.300 -0.651 0.000 1.249 127 P CA -0.190 62.609 63.100 -0.501 0.000 0.810 127 P CB 0.424 31.672 31.700 -0.754 0.000 1.008 128 E N 1.413 121.252 120.200 -0.601 0.000 1.993 128 E HA 0.318 4.668 4.350 -0.000 0.000 0.271 128 E C -1.391 174.887 176.600 -0.536 0.000 1.008 128 E CA -0.168 55.979 56.400 -0.422 0.000 0.814 128 E CB -0.537 29.024 29.700 -0.232 0.000 1.098 128 E HN 0.126 nan 8.360 nan 0.000 0.407 129 F N 1.538 121.345 119.950 -0.238 0.000 2.422 129 F HA 0.275 4.802 4.527 -0.000 0.000 0.333 129 F C 1.115 176.678 175.800 -0.396 0.000 1.095 129 F CA -0.993 56.710 58.000 -0.496 0.000 1.038 129 F CB 2.059 40.661 39.000 -0.662 0.000 1.156 129 F HN 0.390 nan 8.300 nan 0.000 0.483 130 S N 1.742 117.288 115.700 -0.256 0.000 2.588 130 S HA 0.480 4.950 4.470 -0.000 0.000 0.245 130 S C -0.686 173.961 174.600 0.078 0.000 1.021 130 S CA -0.368 57.804 58.200 -0.047 0.000 1.006 130 S CB -0.915 62.327 63.200 0.071 0.000 0.830 130 S HN 0.450 nan 8.310 nan 0.000 0.468 131 F N -2.005 118.006 119.950 0.101 0.000 2.725 131 F HA 0.672 5.199 4.527 -0.000 0.000 0.309 131 F C -3.365 172.424 175.800 -0.018 0.000 1.132 131 F CA -2.358 55.654 58.000 0.019 0.000 0.957 131 F CB 0.058 39.048 39.000 -0.016 0.000 1.286 131 F HN -0.237 nan 8.300 nan 0.000 0.440 132 P HA 0.209 nan 4.420 nan 0.000 0.271 132 P C -2.658 174.644 177.300 0.004 0.000 1.226 132 P CA -0.892 62.224 63.100 0.026 0.000 0.765 132 P CB 0.620 32.337 31.700 0.029 0.000 0.835 133 P HA 0.074 nan 4.420 nan 0.000 0.267 133 P C -0.406 176.816 177.300 -0.131 0.000 1.205 133 P CA 0.040 62.943 63.100 -0.329 0.000 0.765 133 P CB 0.515 31.930 31.700 -0.475 0.000 0.828 134 L N 3.506 124.667 121.223 -0.104 0.000 2.439 134 L HA 0.287 4.627 4.340 -0.000 0.000 0.259 134 L C 1.379 178.201 176.870 -0.080 0.000 1.129 134 L CA -0.001 54.790 54.840 -0.082 0.000 0.803 134 L CB 0.007 42.015 42.059 -0.085 0.000 1.161 134 L HN 0.461 nan 8.230 nan 0.000 0.462 135 D N -1.179 119.175 120.400 -0.078 0.000 2.423 135 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 135 D C 0.827 177.090 176.300 -0.061 0.000 1.174 135 D CA -0.184 53.780 54.000 -0.061 0.000 1.008 135 D CB 0.599 41.351 40.800 -0.081 0.000 1.101 135 D HN 0.783 nan 8.370 nan 0.000 0.516 136 H N -1.427 117.565 119.070 -0.130 0.000 2.353 136 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 136 H C 1.705 176.909 175.328 -0.208 0.000 1.090 136 H CA 1.225 57.191 56.048 -0.137 0.000 1.327 136 H CB -0.526 29.146 29.762 -0.150 0.000 1.383 136 H HN 0.149 nan 8.280 nan 0.000 0.508 137 V N 1.182 120.675 119.914 -0.701 0.000 2.407 137 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 137 V C 2.811 178.655 176.094 -0.416 0.000 1.055 137 V CA 1.669 63.541 62.300 -0.714 0.000 1.049 137 V CB -0.966 30.443 31.823 -0.690 0.000 0.662 137 V HN 0.774 nan 8.190 nan 0.000 0.455 138 A N -0.808 121.854 122.820 -0.263 0.000 2.014 138 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 138 A C 2.194 179.687 177.584 -0.151 0.000 1.163 138 A CA 1.102 53.039 52.037 -0.167 0.000 0.652 138 A CB -0.336 18.589 19.000 -0.125 0.000 0.808 138 A HN 0.484 nan 8.150 nan 0.000 0.449 139 L N -1.174 119.970 121.223 -0.132 0.000 2.027 139 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 139 L C 2.871 179.670 176.870 -0.118 0.000 1.074 139 L CA 1.426 56.209 54.840 -0.095 0.000 0.745 139 L CB -0.384 41.688 42.059 0.022 0.000 0.898 139 L HN 0.412 nan 8.230 nan 0.000 0.433 140 M N -0.741 118.819 119.600 -0.067 0.000 2.065 140 M HA -0.278 4.202 4.480 -0.000 0.000 0.259 140 M C 2.207 178.471 176.300 -0.061 0.000 1.069 140 M CA 1.816 57.122 55.300 0.009 0.000 1.110 140 M CB -0.369 32.081 32.600 -0.249 0.000 1.328 140 M HN 0.146 nan 8.290 nan 0.000 0.405 141 E N 0.437 120.563 120.200 -0.123 0.000 2.118 141 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 141 E C 1.909 178.474 176.600 -0.059 0.000 0.992 141 E CA 1.379 57.789 56.400 0.017 0.000 0.804 141 E CB 0.002 29.709 29.700 0.012 0.000 0.741 141 E HN 0.262 nan 8.360 nan 0.000 0.458 142 K N -0.113 120.198 120.400 -0.147 0.000 2.148 142 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 142 K C 1.073 177.506 176.600 -0.279 0.000 1.050 142 K CA 1.185 57.361 56.287 -0.185 0.000 0.942 142 K CB 0.121 32.501 32.500 -0.200 0.000 0.724 142 K HN 0.110 nan 8.250 nan 0.000 0.446 143 N N -0.340 118.083 118.700 -0.463 0.000 2.236 143 N HA 0.023 4.763 4.740 -0.000 0.000 0.196 143 N C 0.212 175.395 175.510 -0.545 0.000 1.114 143 N CA 0.810 53.408 53.050 -0.753 0.000 0.859 143 N CB 1.216 38.620 38.487 -1.805 0.000 0.982 143 N HN 0.355 nan 8.380 nan 0.000 0.493 144 G N 0.842 109.519 108.800 -0.205 0.000 2.246 144 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.273 144 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.273 144 G C 0.181 175.203 174.900 0.204 0.000 1.055 144 G CA -0.099 45.012 45.100 0.019 0.000 0.851 144 G HN 0.392 nan 8.290 nan 0.000 0.500 145 W N -0.698 120.699 121.300 0.163 0.000 3.316 145 W HA 0.485 5.145 4.660 0.000 0.000 0.327 145 W C 0.775 177.487 176.519 0.322 0.000 1.232 145 W CA -0.434 57.021 57.345 0.184 0.000 1.805 145 W CB -0.415 29.123 29.460 0.131 0.000 1.090 145 W HN 0.642 nan 8.180 nan 0.000 0.654 146 W N 1.162 122.612 121.300 0.250 0.000 3.167 146 W HA 0.483 5.143 4.660 -0.000 0.000 0.324 146 W C -1.468 175.127 176.519 0.127 0.000 1.230 146 W CA -2.082 55.378 57.345 0.192 0.000 1.184 146 W CB 0.688 30.269 29.460 0.200 0.000 1.414 146 W HN -0.143 nan 8.180 nan 0.000 0.551 147 E N 4.367 124.476 120.200 -0.153 0.000 2.070 147 E HA 0.441 4.791 4.350 -0.000 0.000 0.261 147 E C -1.984 174.289 176.600 -0.545 0.000 0.926 147 E CA -2.526 53.714 56.400 -0.267 0.000 0.760 147 E CB 1.617 31.254 29.700 -0.105 0.000 1.133 147 E HN 0.095 nan 8.360 nan 0.000 0.420 148 P HA -0.113 nan 4.420 nan 0.000 0.219 148 P C 0.519 177.659 177.300 -0.266 0.000 1.146 148 P CA 0.974 63.769 63.100 -0.509 0.000 0.808 148 P CB 0.248 31.782 31.700 -0.276 0.000 0.779 149 R N -1.113 119.279 120.500 -0.179 0.000 2.328 149 R HA -0.039 4.301 4.340 -0.000 0.000 0.207 149 R C 1.945 178.189 176.300 -0.094 0.000 1.056 149 R CA 0.393 56.430 56.100 -0.104 0.000 1.016 149 R CB -0.880 29.377 30.300 -0.072 0.000 0.872 149 R HN 0.209 nan 8.270 nan 0.000 0.471 150 I N 0.998 121.492 120.570 -0.127 0.000 2.567 150 I HA -0.226 3.944 4.170 -0.000 0.000 0.257 150 I C 1.728 177.817 176.117 -0.047 0.000 1.184 150 I CA 1.297 62.547 61.300 -0.083 0.000 1.451 150 I CB -0.007 37.932 38.000 -0.103 0.000 1.089 150 I HN 0.078 nan 8.210 nan 0.000 0.441 151 S N -0.780 114.889 115.700 -0.052 0.000 2.447 151 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 151 S C 1.817 176.420 174.600 0.005 0.000 1.006 151 S CA 0.707 58.906 58.200 -0.002 0.000 0.957 151 S CB -0.422 62.782 63.200 0.006 0.000 0.773 151 S HN 0.494 nan 8.310 nan 0.000 0.507 152 Q N 1.181 120.973 119.800 -0.013 0.000 2.083 152 Q HA 0.100 4.440 4.340 -0.000 0.000 0.198 152 Q C 2.330 178.326 176.000 -0.006 0.000 0.969 152 Q CA 1.235 57.033 55.803 -0.008 0.000 0.838 152 Q CB -0.570 28.159 28.738 -0.015 0.000 0.900 152 Q HN 0.477 nan 8.270 nan 0.000 0.436 153 V N -0.353 119.555 119.914 -0.012 0.000 2.244 153 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 153 V C 1.579 177.672 176.094 -0.002 0.000 1.042 153 V CA 2.095 64.389 62.300 -0.010 0.000 1.006 153 V CB -0.380 31.434 31.823 -0.015 0.000 0.641 153 V HN 0.258 nan 8.190 nan 0.000 0.446 154 S N -1.318 114.389 115.700 0.011 0.000 2.523 154 S HA 0.530 5.000 4.470 -0.000 0.000 0.217 154 S C 0.773 175.402 174.600 0.048 0.000 0.996 154 S CA 0.505 58.721 58.200 0.027 0.000 0.921 154 S CB 0.863 64.094 63.200 0.051 0.000 0.829 154 S HN 1.039 nan 8.310 nan 0.000 0.495 155 G N 1.575 110.405 108.800 0.049 0.000 2.627 155 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 155 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 155 G C -0.321 174.650 174.900 0.118 0.000 1.331 155 G CA -0.544 44.599 45.100 0.073 0.000 0.891 155 G HN 0.267 nan 8.290 nan 0.000 0.539 156 S N -0.054 115.738 115.700 0.153 0.000 2.576 156 S HA 0.516 4.986 4.470 -0.000 0.000 0.276 156 S C 1.168 175.946 174.600 0.297 0.000 1.339 156 S CA 0.776 59.092 58.200 0.193 0.000 1.039 156 S CB 0.160 63.471 63.200 0.185 0.000 0.902 156 S HN 1.182 nan 8.310 nan 0.000 0.516 157 R N 0.962 121.602 120.500 0.233 0.000 3.201 157 R HA -0.118 4.222 4.340 -0.000 0.000 0.254 157 R C -0.888 175.599 176.300 0.312 0.000 0.978 157 R CA 0.395 56.629 56.100 0.222 0.000 0.661 157 R CB -2.149 28.213 30.300 0.104 0.000 1.170 157 R HN 0.452 nan 8.270 nan 0.000 0.430 158 S N -0.055 115.815 115.700 0.284 0.000 2.599 158 S HA 0.783 5.253 4.470 -0.000 0.000 0.294 158 S C -1.002 173.793 174.600 0.325 0.000 1.094 158 S CA -0.824 57.550 58.200 0.291 0.000 0.931 158 S CB 1.872 65.186 63.200 0.188 0.000 1.093 158 S HN 0.376 nan 8.310 nan 0.000 0.488 159 Y N -0.896 119.484 120.300 0.133 0.000 2.562 159 Y HA 0.870 5.420 4.550 -0.000 0.000 0.345 159 Y C -1.172 174.793 175.900 0.108 0.000 1.045 159 Y CA -1.429 56.753 58.100 0.137 0.000 1.028 159 Y CB 0.957 39.578 38.460 0.269 0.000 1.297 159 Y HN 0.762 nan 8.280 nan 0.000 0.463 160 A N 3.617 126.432 122.820 -0.008 0.000 2.402 160 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 160 A C -2.306 175.363 177.584 0.142 0.000 1.051 160 A CA -0.584 51.410 52.037 -0.070 0.000 0.716 160 A CB 1.051 20.003 19.000 -0.079 0.000 1.223 160 A HN 0.591 nan 8.150 nan 0.000 0.425 161 L N 1.333 122.659 121.223 0.173 0.000 2.334 161 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 161 L C 0.274 177.261 176.870 0.194 0.000 1.020 161 L CA -0.186 54.820 54.840 0.276 0.000 0.812 161 L CB 1.446 43.679 42.059 0.291 0.000 1.264 161 L HN 0.768 nan 8.230 nan 0.000 0.439 162 K N 0.059 120.598 120.400 0.231 0.000 2.469 162 K HA 0.682 5.002 4.320 -0.000 0.000 0.254 162 K C -0.032 176.699 176.600 0.218 0.000 0.939 162 K CA -0.249 56.157 56.287 0.198 0.000 0.812 162 K CB 2.165 34.793 32.500 0.214 0.000 1.301 162 K HN 0.753 nan 8.250 nan 0.000 0.433 163 G N 2.000 110.897 108.800 0.163 0.000 2.569 163 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.259 163 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.259 163 G C 0.257 175.194 174.900 0.062 0.000 1.263 163 G CA 0.307 45.505 45.100 0.165 0.000 0.928 163 G HN 0.753 nan 8.290 nan 0.000 0.572 164 D N -0.167 120.238 120.400 0.009 0.000 2.309 164 D HA -0.056 4.584 4.640 -0.000 0.000 0.212 164 D C 2.473 178.598 176.300 -0.292 0.000 0.968 164 D CA 1.258 55.173 54.000 -0.141 0.000 0.882 164 D CB 0.027 40.724 40.800 -0.173 0.000 0.918 164 D HN 0.240 nan 8.370 nan 0.000 0.503 165 L N 0.860 121.812 121.223 -0.452 0.000 2.156 165 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 165 L C 2.186 179.043 176.870 -0.021 0.000 1.095 165 L CA 1.076 55.727 54.840 -0.315 0.000 0.770 165 L CB -0.594 41.247 42.059 -0.364 0.000 0.914 165 L HN -0.086 nan 8.230 nan 0.000 0.439 166 A N -0.697 122.137 122.820 0.023 0.000 1.858 166 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 166 A C 2.048 179.663 177.584 0.051 0.000 1.190 166 A CA 1.756 53.832 52.037 0.065 0.000 0.617 166 A CB -0.857 18.184 19.000 0.069 0.000 0.827 166 A HN 0.355 nan 8.150 nan 0.000 0.443 167 L N -1.508 119.738 121.223 0.037 0.000 2.127 167 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 167 L C 2.344 179.277 176.870 0.104 0.000 1.089 167 L CA 1.451 56.320 54.840 0.049 0.000 0.757 167 L CB -1.593 40.483 42.059 0.029 0.000 0.899 167 L HN 0.573 nan 8.230 nan 0.000 0.434 168 Y N 0.824 121.074 120.300 -0.084 0.000 2.181 168 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 168 Y C 2.668 178.526 175.900 -0.069 0.000 1.146 168 Y CA 1.717 59.762 58.100 -0.093 0.000 1.164 168 Y CB -0.295 38.073 38.460 -0.154 0.000 0.982 168 Y HN 0.404 nan 8.280 nan 0.000 0.515 169 E N -0.298 119.931 120.200 0.049 0.000 2.077 169 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 169 E C 2.171 178.726 176.600 -0.074 0.000 0.989 169 E CA 1.478 57.849 56.400 -0.048 0.000 0.800 169 E CB -0.254 29.466 29.700 0.035 0.000 0.746 169 E HN 0.504 nan 8.360 nan 0.000 0.452 170 L N 0.203 121.399 121.223 -0.045 0.000 2.109 170 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 170 L C 2.727 179.575 176.870 -0.037 0.000 1.086 170 L CA 0.707 55.502 54.840 -0.076 0.000 0.760 170 L CB -0.531 41.500 42.059 -0.047 0.000 0.910 170 L HN 0.190 nan 8.230 nan 0.000 0.437 171 A N 0.867 123.705 122.820 0.029 0.000 1.892 171 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 171 A C 2.230 179.782 177.584 -0.054 0.000 1.188 171 A CA 1.856 53.931 52.037 0.064 0.000 0.631 171 A CB -0.860 18.251 19.000 0.185 0.000 0.822 171 A HN 0.380 nan 8.150 nan 0.000 0.447 172 L N -0.831 120.323 121.223 -0.116 0.000 2.141 172 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 172 L C 2.493 179.357 176.870 -0.011 0.000 1.094 172 L CA 0.761 55.540 54.840 -0.102 0.000 0.763 172 L CB -0.495 41.425 42.059 -0.231 0.000 0.908 172 L HN 0.350 nan 8.230 nan 0.000 0.437 173 L N -0.595 120.586 121.223 -0.069 0.000 2.027 173 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 173 L C 2.845 179.648 176.870 -0.112 0.000 1.074 173 L CA 0.884 55.676 54.840 -0.079 0.000 0.745 173 L CB -0.393 41.582 42.059 -0.140 0.000 0.898 173 L HN 0.197 nan 8.230 nan 0.000 0.433 174 R N 0.425 120.860 120.500 -0.108 0.000 2.096 174 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 174 R C 2.186 178.417 176.300 -0.114 0.000 1.127 174 R CA 1.604 57.660 56.100 -0.074 0.000 0.968 174 R CB -0.878 29.440 30.300 0.029 0.000 0.861 174 R HN 0.327 nan 8.270 nan 0.000 0.440 175 F N 0.471 120.143 119.950 -0.463 0.000 2.134 175 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 175 F C 1.862 177.542 175.800 -0.201 0.000 1.097 175 F CA 1.583 59.197 58.000 -0.642 0.000 1.264 175 F CB -0.723 37.708 39.000 -0.948 0.000 1.001 175 F HN 0.084 nan 8.300 nan 0.000 0.479 176 A N 1.044 123.564 122.820 -0.501 0.000 1.902 176 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 176 A C 2.277 179.731 177.584 -0.217 0.000 1.181 176 A CA 1.907 53.681 52.037 -0.438 0.000 0.623 176 A CB -0.730 18.172 19.000 -0.163 0.000 0.818 176 A HN 0.476 nan 8.150 nan 0.000 0.443 177 M N -0.375 119.149 119.600 -0.127 0.000 2.132 177 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 177 M C 1.462 177.742 176.300 -0.034 0.000 1.065 177 M CA 1.325 56.598 55.300 -0.046 0.000 1.122 177 M CB -1.272 31.307 32.600 -0.035 0.000 1.365 177 M HN 0.344 nan 8.290 nan 0.000 0.411 178 D N 0.068 120.445 120.400 -0.037 0.000 2.123 178 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 178 D C 1.754 178.042 176.300 -0.020 0.000 0.992 178 D CA 1.138 55.149 54.000 0.019 0.000 0.833 178 D CB -0.418 40.468 40.800 0.142 0.000 0.954 178 D HN 0.292 nan 8.370 nan 0.000 0.455 179 F N 1.130 120.927 119.950 -0.256 0.000 2.075 179 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 179 F C 2.233 177.949 175.800 -0.140 0.000 1.113 179 F CA 1.243 59.097 58.000 -0.245 0.000 1.218 179 F CB -0.150 38.548 39.000 -0.504 0.000 0.984 179 F HN -0.191 nan 8.300 nan 0.000 0.472 180 M N 0.594 120.168 119.600 -0.042 0.000 2.202 180 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 180 M C 2.424 178.714 176.300 -0.016 0.000 1.063 180 M CA 1.573 56.838 55.300 -0.059 0.000 1.097 180 M CB -2.141 30.467 32.600 0.013 0.000 1.382 180 M HN 0.381 nan 8.290 nan 0.000 0.413 181 A N -0.212 122.593 122.820 -0.025 0.000 1.897 181 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 181 A C 2.309 179.862 177.584 -0.051 0.000 1.181 181 A CA 1.277 53.313 52.037 -0.001 0.000 0.620 181 A CB -0.450 18.555 19.000 0.009 0.000 0.821 181 A HN 0.332 nan 8.150 nan 0.000 0.443 182 R N -0.407 120.020 120.500 -0.122 0.000 2.127 182 R HA 0.017 4.357 4.340 -0.000 0.000 0.238 182 R C 1.653 177.853 176.300 -0.167 0.000 1.134 182 R CA 1.006 57.021 56.100 -0.142 0.000 0.975 182 R CB -0.183 30.002 30.300 -0.192 0.000 0.865 182 R HN 0.234 nan 8.270 nan 0.000 0.447 183 R N -0.320 120.041 120.500 -0.231 0.000 2.325 183 R HA 0.137 4.477 4.340 -0.000 0.000 0.214 183 R C 0.695 177.024 176.300 0.049 0.000 0.961 183 R CA 0.763 56.775 56.100 -0.146 0.000 1.086 183 R CB 0.043 30.177 30.300 -0.277 0.000 1.037 183 R HN 0.496 nan 8.270 nan 0.000 0.493 184 G N 0.349 109.161 108.800 0.021 0.000 2.176 184 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 184 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 184 G C -0.044 174.832 174.900 -0.041 0.000 0.979 184 G CA -0.237 44.853 45.100 -0.017 0.000 0.641 184 G HN 0.252 nan 8.290 nan 0.000 0.530 185 F N 0.047 119.980 119.950 -0.029 0.000 2.394 185 F HA 0.645 5.172 4.527 -0.000 0.000 0.340 185 F C 0.640 176.472 175.800 0.054 0.000 1.105 185 F CA -1.193 56.825 58.000 0.029 0.000 1.124 185 F CB 1.439 40.462 39.000 0.038 0.000 1.145 185 F HN 0.078 nan 8.300 nan 0.000 0.505 186 L N 7.160 128.507 121.223 0.206 0.000 2.433 186 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 186 L C -2.485 174.475 176.870 0.150 0.000 1.128 186 L CA -1.671 53.268 54.840 0.164 0.000 0.875 186 L CB 0.001 42.177 42.059 0.195 0.000 1.171 186 L HN 0.279 nan 8.230 nan 0.000 0.463 187 P HA 0.283 nan 4.420 nan 0.000 0.276 187 P C -0.967 176.346 177.300 0.021 0.000 1.235 187 P CA 0.150 63.291 63.100 0.068 0.000 0.772 187 P CB 0.722 32.451 31.700 0.049 0.000 0.871 188 M N 1.848 121.458 119.600 0.018 0.000 2.393 188 M HA 0.351 4.831 4.480 -0.000 0.000 0.299 188 M C -0.426 175.899 176.300 0.042 0.000 1.103 188 M CA -0.449 54.837 55.300 -0.023 0.000 0.910 188 M CB 2.667 35.195 32.600 -0.120 0.000 1.659 188 M HN 0.236 nan 8.290 nan 0.000 0.445 189 T N 1.671 116.256 114.554 0.051 0.000 2.794 189 T HA 0.837 5.187 4.350 -0.000 0.000 0.280 189 T C -0.540 174.179 174.700 0.031 0.000 0.987 189 T CA -0.739 61.443 62.100 0.138 0.000 0.993 189 T CB 1.062 70.027 68.868 0.161 0.000 0.939 189 T HN 0.534 nan 8.240 nan 0.000 0.449 190 L N 2.996 124.208 121.223 -0.017 0.000 2.327 190 L HA 0.674 5.014 4.340 -0.000 0.000 0.258 190 L C -2.076 174.722 176.870 -0.120 0.000 1.024 190 L CA -2.666 52.112 54.840 -0.103 0.000 0.825 190 L CB 2.186 44.154 42.059 -0.152 0.000 1.386 190 L HN 0.505 nan 8.230 nan 0.000 0.417 191 P HA 0.165 nan 4.420 nan 0.000 0.274 191 P C -0.519 176.669 177.300 -0.186 0.000 1.246 191 P CA -0.386 62.586 63.100 -0.213 0.000 0.795 191 P CB 1.075 32.477 31.700 -0.497 0.000 1.006 192 S N -0.365 115.310 115.700 -0.042 0.000 2.561 192 S HA 0.246 4.716 4.470 -0.000 0.000 0.245 192 S C -0.299 174.392 174.600 0.152 0.000 1.001 192 S CA -0.330 57.913 58.200 0.071 0.000 1.002 192 S CB -0.962 62.391 63.200 0.254 0.000 0.805 192 S HN 0.563 nan 8.310 nan 0.000 0.458 193 Y N -1.527 118.796 120.300 0.039 0.000 2.571 193 Y HA 0.889 5.439 4.550 -0.000 0.000 0.341 193 Y C -0.768 175.184 175.900 0.086 0.000 1.076 193 Y CA -1.687 56.464 58.100 0.085 0.000 1.029 193 Y CB 0.662 39.141 38.460 0.033 0.000 1.308 193 Y HN 0.002 nan 8.280 nan 0.000 0.461 194 A N 2.406 125.411 122.820 0.308 0.000 2.601 194 A HA 0.702 5.022 4.320 -0.000 0.000 0.291 194 A C -1.327 176.503 177.584 0.410 0.000 1.075 194 A CA -1.427 50.722 52.037 0.187 0.000 0.671 194 A CB 1.442 20.408 19.000 -0.056 0.000 1.277 194 A HN 0.802 nan 8.150 nan 0.000 0.417 195 R N 0.434 121.105 120.500 0.286 0.000 2.707 195 R HA 0.174 4.514 4.340 -0.000 0.000 0.270 195 R C 1.040 177.577 176.300 0.396 0.000 1.083 195 R CA -0.041 56.264 56.100 0.342 0.000 1.182 195 R CB 0.576 30.998 30.300 0.202 0.000 1.084 195 R HN 0.986 nan 8.270 nan 0.000 0.528 196 E N 2.178 122.632 120.200 0.422 0.000 2.086 196 E HA -0.303 4.047 4.350 -0.000 0.000 0.200 196 E C 1.554 178.272 176.600 0.196 0.000 1.012 196 E CA 2.311 58.881 56.400 0.282 0.000 0.812 196 E CB 0.062 29.969 29.700 0.345 0.000 0.743 196 E HN 0.545 nan 8.360 nan 0.000 0.453 197 K N -0.178 120.313 120.400 0.151 0.000 2.286 197 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 197 K C 1.926 178.535 176.600 0.016 0.000 1.045 197 K CA 1.393 57.730 56.287 0.085 0.000 0.935 197 K CB -0.203 32.338 32.500 0.068 0.000 0.737 197 K HN 0.120 nan 8.250 nan 0.000 0.460 198 A N 0.836 123.627 122.820 -0.047 0.000 1.968 198 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 198 A C 1.727 179.105 177.584 -0.344 0.000 1.169 198 A CA 0.682 52.592 52.037 -0.211 0.000 0.638 198 A CB -0.575 18.221 19.000 -0.341 0.000 0.812 198 A HN 0.333 nan 8.150 nan 0.000 0.446 199 F N 0.061 119.806 119.950 -0.343 0.000 2.163 199 F HA -0.048 4.479 4.527 -0.000 0.000 0.297 199 F C 2.059 177.735 175.800 -0.208 0.000 1.094 199 F CA 1.163 58.855 58.000 -0.514 0.000 1.290 199 F CB -0.508 37.577 39.000 -1.525 0.000 1.017 199 F HN 0.082 nan 8.300 nan 0.000 0.483 200 L N -0.253 121.007 121.223 0.062 0.000 2.012 200 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 200 L C 2.847 179.745 176.870 0.047 0.000 1.073 200 L CA 1.487 56.399 54.840 0.119 0.000 0.748 200 L CB -1.552 40.571 42.059 0.107 0.000 0.891 200 L HN 0.260 nan 8.230 nan 0.000 0.431 201 G N -0.053 108.752 108.800 0.008 0.000 2.529 201 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.219 201 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.219 201 G C 1.625 176.551 174.900 0.043 0.000 1.177 201 G CA 1.733 46.834 45.100 0.000 0.000 0.773 201 G HN 0.476 nan 8.290 nan 0.000 0.573 202 T N -2.367 112.243 114.554 0.094 0.000 3.055 202 T HA 0.350 4.700 4.350 -0.000 0.000 0.265 202 T C 1.968 176.868 174.700 0.333 0.000 1.111 202 T CA 0.980 63.217 62.100 0.229 0.000 1.118 202 T CB 0.006 69.070 68.868 0.326 0.000 0.909 202 T HN 1.577 nan 8.240 nan 0.000 0.501 203 G N 0.638 109.603 108.800 0.275 0.000 2.175 203 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 203 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 203 G C 0.478 175.636 174.900 0.431 0.000 0.982 203 G CA 0.479 45.817 45.100 0.397 0.000 0.641 203 G HN 0.628 nan 8.290 nan 0.000 0.527 204 H N -0.996 118.288 119.070 0.357 0.000 2.423 204 H HA 0.261 4.817 4.556 -0.000 0.000 0.297 204 H C 0.761 176.448 175.328 0.597 0.000 1.075 204 H CA 1.582 57.921 56.048 0.485 0.000 1.342 204 H CB 0.050 30.026 29.762 0.356 0.000 1.395 204 H HN 0.351 nan 8.280 nan 0.000 0.530 205 F N 0.099 120.259 119.950 0.351 0.000 2.436 205 F HA 0.267 4.794 4.527 -0.000 0.000 0.340 205 F C -1.577 174.303 175.800 0.134 0.000 1.113 205 F CA -3.685 54.419 58.000 0.172 0.000 1.022 205 F CB 1.657 40.712 39.000 0.091 0.000 1.128 205 F HN -0.030 nan 8.300 nan 0.000 0.466 206 P HA 0.124 nan 4.420 nan 0.000 0.252 206 P C 1.207 178.532 177.300 0.041 0.000 1.211 206 P CA 0.599 63.773 63.100 0.124 0.000 0.824 206 P CB 0.337 32.062 31.700 0.040 0.000 1.077 207 A N -0.710 122.093 122.820 -0.029 0.000 2.032 207 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 207 A C 0.865 178.148 177.584 -0.500 0.000 1.165 207 A CA 1.538 53.357 52.037 -0.363 0.000 0.645 207 A CB -1.448 17.132 19.000 -0.700 0.000 0.807 207 A HN 0.233 nan 8.150 nan 0.000 0.453 208 Y N -2.308 118.106 120.300 0.191 0.000 2.715 208 Y HA 0.336 4.886 4.550 -0.000 0.000 0.255 208 Y C 1.435 177.470 175.900 0.225 0.000 1.139 208 Y CA -0.592 57.623 58.100 0.192 0.000 1.151 208 Y CB -0.144 38.450 38.460 0.223 0.000 1.201 208 Y HN 0.274 nan 8.280 nan 0.000 0.556 209 R N 1.732 122.359 120.500 0.210 0.000 2.119 209 R HA -0.239 4.101 4.340 -0.000 0.000 0.246 209 R C 1.189 177.529 176.300 0.067 0.000 1.146 209 R CA 2.657 58.728 56.100 -0.049 0.000 0.962 209 R CB -0.259 29.774 30.300 -0.446 0.000 0.863 209 R HN 0.595 nan 8.270 nan 0.000 0.442 210 D N -0.804 119.646 120.400 0.084 0.000 2.378 210 D HA -0.152 4.488 4.640 -0.000 0.000 0.222 210 D C 0.974 177.360 176.300 0.142 0.000 0.980 210 D CA 0.694 54.755 54.000 0.100 0.000 0.907 210 D CB 0.004 40.852 40.800 0.079 0.000 0.899 210 D HN 0.368 nan 8.370 nan 0.000 0.527 211 Q N 0.099 120.015 119.800 0.194 0.000 2.280 211 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 211 Q C -0.470 175.616 176.000 0.144 0.000 0.890 211 Q CA 0.005 55.905 55.803 0.161 0.000 0.947 211 Q CB 1.563 30.418 28.738 0.195 0.000 1.081 211 Q HN 0.239 nan 8.270 nan 0.000 0.502 212 V N 1.146 121.177 119.914 0.194 0.000 2.487 212 V HA 0.239 4.359 4.120 -0.000 0.000 0.298 212 V C -0.739 175.544 176.094 0.316 0.000 1.028 212 V CA -0.806 61.631 62.300 0.229 0.000 0.860 212 V CB 1.650 33.629 31.823 0.259 0.000 0.991 212 V HN 0.251 nan 8.190 nan 0.000 0.427 213 W N 3.466 124.879 121.300 0.187 0.000 2.266 213 W HA 0.635 5.295 4.660 -0.000 0.000 0.317 213 W C 0.403 176.966 176.519 0.073 0.000 1.310 213 W CA -0.878 56.535 57.345 0.112 0.000 1.207 213 W CB 1.097 30.602 29.460 0.074 0.000 1.199 213 W HN 0.620 nan 8.180 nan 0.000 0.544 214 A N 5.112 128.041 122.820 0.180 0.000 2.312 214 A HA 0.712 5.032 4.320 -0.000 0.000 0.326 214 A C -0.608 176.877 177.584 -0.165 0.000 1.172 214 A CA -0.743 51.243 52.037 -0.085 0.000 0.821 214 A CB 0.606 19.507 19.000 -0.165 0.000 1.166 214 A HN 0.529 nan 8.150 nan 0.000 0.493 215 I N 2.312 122.737 120.570 -0.243 0.000 2.325 215 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 215 I C 1.010 176.999 176.117 -0.214 0.000 1.019 215 I CA -0.079 61.090 61.300 -0.219 0.000 1.302 215 I CB 1.331 39.199 38.000 -0.219 0.000 1.401 215 I HN 0.755 nan 8.210 nan 0.000 0.485 216 A N 4.691 127.402 122.820 -0.182 0.000 2.483 216 A HA 0.136 4.456 4.320 -0.000 0.000 0.238 216 A C 0.851 178.354 177.584 -0.134 0.000 1.070 216 A CA -0.012 51.935 52.037 -0.149 0.000 0.770 216 A CB -0.096 18.824 19.000 -0.133 0.000 1.008 216 A HN 0.870 nan 8.150 nan 0.000 0.497 217 E N -1.121 119.012 120.200 -0.111 0.000 2.586 217 E HA -0.163 4.187 4.350 -0.000 0.000 0.259 217 E C 0.059 176.600 176.600 -0.097 0.000 1.107 217 E CA 1.724 58.069 56.400 -0.091 0.000 0.754 217 E CB -1.552 28.100 29.700 -0.081 0.000 1.335 217 E HN 0.752 nan 8.360 nan 0.000 0.411 218 T N -0.957 113.524 114.554 -0.121 0.000 2.864 218 T HA 0.269 4.619 4.350 -0.000 0.000 0.299 218 T C -0.674 173.949 174.700 -0.128 0.000 1.166 218 T CA -0.380 61.648 62.100 -0.120 0.000 1.007 218 T CB 1.000 69.777 68.868 -0.152 0.000 1.219 218 T HN 0.154 nan 8.240 nan 0.000 0.506 219 D N 1.598 121.953 120.400 -0.075 0.000 2.395 219 D HA 0.191 4.831 4.640 -0.000 0.000 0.226 219 D C 0.218 176.509 176.300 -0.014 0.000 1.146 219 D CA -0.020 53.963 54.000 -0.029 0.000 0.830 219 D CB -0.060 40.768 40.800 0.046 0.000 0.958 219 D HN 0.250 nan 8.370 nan 0.000 0.501 220 L N -0.252 120.890 121.223 -0.135 0.000 2.319 220 L HA 0.552 4.892 4.340 -0.000 0.000 0.267 220 L C -1.037 175.694 176.870 -0.231 0.000 1.011 220 L CA -1.234 53.607 54.840 0.002 0.000 0.818 220 L CB 1.539 43.628 42.059 0.049 0.000 1.316 220 L HN -0.159 nan 8.230 nan 0.000 0.432 221 Y N 0.326 120.723 120.300 0.162 0.000 2.524 221 Y HA 0.510 5.060 4.550 -0.000 0.000 0.347 221 Y C -0.425 175.602 175.900 0.211 0.000 1.005 221 Y CA -0.734 57.420 58.100 0.089 0.000 1.025 221 Y CB 1.747 40.088 38.460 -0.199 0.000 1.275 221 Y HN 0.260 nan 8.280 nan 0.000 0.460 222 L N 2.572 123.982 121.223 0.313 0.000 2.371 222 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 222 L C 0.351 177.457 176.870 0.394 0.000 1.124 222 L CA -0.579 54.413 54.840 0.253 0.000 0.816 222 L CB 1.026 43.106 42.059 0.036 0.000 1.129 222 L HN 0.755 nan 8.230 nan 0.000 0.448 223 T N -1.255 113.507 114.554 0.346 0.000 2.907 223 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 223 T C 0.968 175.773 174.700 0.175 0.000 1.004 223 T CA -0.318 61.939 62.100 0.260 0.000 1.063 223 T CB 1.783 70.657 68.868 0.009 0.000 0.992 223 T HN 0.695 nan 8.240 nan 0.000 0.483 224 G N 0.015 108.881 108.800 0.110 0.000 2.744 224 G HA2 0.376 4.336 3.960 -0.000 0.000 0.211 224 G HA3 0.376 4.336 3.960 -0.000 0.000 0.211 224 G C 0.413 175.306 174.900 -0.011 0.000 1.146 224 G CA 0.452 45.599 45.100 0.077 0.000 0.787 224 G HN 1.039 nan 8.290 nan 0.000 0.534 225 T N -2.509 111.991 114.554 -0.090 0.000 2.886 225 T HA 0.478 4.828 4.350 -0.000 0.000 0.330 225 T C 0.929 175.541 174.700 -0.147 0.000 1.488 225 T CA 0.494 62.539 62.100 -0.092 0.000 1.054 225 T CB 1.091 69.967 68.868 0.013 0.000 1.348 225 T HN 0.265 nan 8.240 nan 0.000 0.489 226 A N 1.914 124.654 122.820 -0.134 0.000 2.070 226 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 226 A C 1.848 179.345 177.584 -0.145 0.000 1.159 226 A CA 1.994 53.940 52.037 -0.152 0.000 0.656 226 A CB -0.815 18.110 19.000 -0.124 0.000 0.800 226 A HN 0.959 nan 8.150 nan 0.000 0.453 227 E N 0.010 120.164 120.200 -0.075 0.000 2.265 227 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 227 E C 1.476 177.977 176.600 -0.164 0.000 0.996 227 E CA 1.373 57.737 56.400 -0.059 0.000 0.832 227 E CB -0.551 29.235 29.700 0.144 0.000 0.756 227 E HN 0.290 nan 8.360 nan 0.000 0.491 228 V N 1.183 120.948 119.914 -0.248 0.000 2.332 228 V HA -0.247 3.872 4.120 -0.000 0.000 0.248 228 V C 2.359 178.234 176.094 -0.364 0.000 1.055 228 V CA 1.582 63.642 62.300 -0.400 0.000 1.038 228 V CB -0.163 31.241 31.823 -0.698 0.000 0.651 228 V HN 0.245 nan 8.190 nan 0.000 0.450 229 V N -1.131 118.591 119.914 -0.321 0.000 2.300 229 V HA -0.107 4.013 4.120 -0.000 0.000 0.241 229 V C 2.290 178.220 176.094 -0.274 0.000 1.034 229 V CA 1.137 63.265 62.300 -0.285 0.000 1.021 229 V CB -0.468 31.197 31.823 -0.264 0.000 0.662 229 V HN 0.359 nan 8.190 nan 0.000 0.458 230 L N 0.942 121.983 121.223 -0.304 0.000 2.089 230 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 230 L C 2.259 178.828 176.870 -0.501 0.000 1.079 230 L CA 1.948 56.560 54.840 -0.380 0.000 0.758 230 L CB -1.512 40.292 42.059 -0.424 0.000 0.891 230 L HN 0.464 nan 8.230 nan 0.000 0.433 231 N N -0.752 117.658 118.700 -0.483 0.000 2.106 231 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 231 N C 1.621 177.083 175.510 -0.079 0.000 1.029 231 N CA 1.298 54.200 53.050 -0.247 0.000 0.848 231 N CB 0.169 38.632 38.487 -0.040 0.000 1.007 231 N HN 0.369 nan 8.380 nan 0.000 0.423 232 A N 1.126 123.871 122.820 -0.124 0.000 2.168 232 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 232 A C 2.220 179.751 177.584 -0.088 0.000 1.152 232 A CA 0.302 52.288 52.037 -0.085 0.000 0.716 232 A CB -0.383 18.543 19.000 -0.123 0.000 0.794 232 A HN 0.303 nan 8.150 nan 0.000 0.465 233 L N -1.155 119.982 121.223 -0.143 0.000 2.012 233 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 233 L C 1.787 178.506 176.870 -0.252 0.000 1.073 233 L CA 1.147 55.838 54.840 -0.247 0.000 0.748 233 L CB -0.598 41.223 42.059 -0.396 0.000 0.891 233 L HN 0.476 nan 8.230 nan 0.000 0.431 234 H N -1.037 118.068 119.070 0.059 0.000 2.537 234 H HA 0.174 4.730 4.556 -0.000 0.000 0.295 234 H C 0.716 176.078 175.328 0.057 0.000 1.054 234 H CA -0.091 55.998 56.048 0.068 0.000 1.156 234 H CB 0.364 30.184 29.762 0.098 0.000 1.468 234 H HN 0.105 nan 8.280 nan 0.000 0.551 235 S N -0.129 115.641 115.700 0.117 0.000 2.525 235 S HA 0.265 4.735 4.470 -0.000 0.000 0.285 235 S C 1.449 176.094 174.600 0.076 0.000 1.283 235 S CA 0.766 59.020 58.200 0.091 0.000 1.072 235 S CB 0.073 63.303 63.200 0.050 0.000 0.867 235 S HN 0.777 nan 8.310 nan 0.000 0.492 236 G N 3.650 112.495 108.800 0.075 0.000 2.199 236 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 236 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 236 G C -0.106 174.823 174.900 0.048 0.000 0.982 236 G CA 0.321 45.452 45.100 0.051 0.000 0.632 236 G HN 0.692 nan 8.290 nan 0.000 0.529 237 E N -0.510 119.735 120.200 0.075 0.000 2.318 237 E HA 0.580 4.930 4.350 -0.000 0.000 0.265 237 E C -0.466 176.158 176.600 0.039 0.000 1.069 237 E CA -0.852 55.588 56.400 0.067 0.000 0.893 237 E CB 1.178 30.946 29.700 0.113 0.000 1.076 237 E HN 0.114 nan 8.360 nan 0.000 0.414 238 I N 2.471 123.054 120.570 0.021 0.000 2.307 238 I HA 0.127 4.297 4.170 -0.000 0.000 0.289 238 I C -0.356 175.779 176.117 0.030 0.000 1.021 238 I CA 0.103 61.407 61.300 0.006 0.000 1.224 238 I CB 0.426 38.414 38.000 -0.020 0.000 1.376 238 I HN 0.277 nan 8.210 nan 0.000 0.470 239 L N 8.889 130.141 121.223 0.049 0.000 2.395 239 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 239 L C -1.910 175.004 176.870 0.073 0.000 1.133 239 L CA -1.594 53.263 54.840 0.028 0.000 0.812 239 L CB 0.505 42.545 42.059 -0.032 0.000 1.125 239 L HN 0.384 nan 8.230 nan 0.000 0.452 240 P HA -0.040 nan 4.420 nan 0.000 0.278 240 P C -0.060 177.304 177.300 0.107 0.000 1.238 240 P CA -0.246 62.905 63.100 0.085 0.000 0.794 240 P CB 0.654 32.381 31.700 0.045 0.000 0.955 241 Y N 2.550 122.891 120.300 0.069 0.000 2.256 241 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 241 Y C 1.764 177.662 175.900 -0.004 0.000 1.155 241 Y CA 1.993 60.142 58.100 0.083 0.000 1.203 241 Y CB -0.324 38.196 38.460 0.099 0.000 0.980 241 Y HN 0.315 nan 8.280 nan 0.000 0.530 242 E N -0.265 119.919 120.200 -0.027 0.000 2.358 242 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 242 E C 2.136 178.645 176.600 -0.151 0.000 1.010 242 E CA 0.814 57.155 56.400 -0.099 0.000 0.856 242 E CB -0.406 29.290 29.700 -0.007 0.000 0.795 242 E HN 0.508 nan 8.360 nan 0.000 0.504 243 A N 0.304 123.040 122.820 -0.140 0.000 1.968 243 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 243 A C 0.718 178.165 177.584 -0.229 0.000 1.169 243 A CA 0.236 52.183 52.037 -0.151 0.000 0.638 243 A CB -0.143 18.781 19.000 -0.126 0.000 0.812 243 A HN 0.130 nan 8.150 nan 0.000 0.446 244 L N 1.516 122.551 121.223 -0.313 0.000 2.416 244 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 244 L C -1.792 174.860 176.870 -0.364 0.000 1.161 244 L CA -1.614 52.996 54.840 -0.383 0.000 0.845 244 L CB 0.082 41.834 42.059 -0.513 0.000 1.119 244 L HN 0.213 nan 8.230 nan 0.000 0.464 245 P HA 0.257 nan 4.420 nan 0.000 0.282 245 P C -1.149 175.955 177.300 -0.327 0.000 1.249 245 P CA -0.558 62.353 63.100 -0.315 0.000 0.806 245 P CB 0.956 32.490 31.700 -0.275 0.000 0.984 246 L N 3.551 124.551 121.223 -0.371 0.000 2.265 246 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 246 L C 0.994 177.551 176.870 -0.521 0.000 1.058 246 L CA -0.419 54.139 54.840 -0.470 0.000 0.809 246 L CB 0.578 42.271 42.059 -0.611 0.000 1.179 246 L HN 0.243 nan 8.230 nan 0.000 0.429 247 R N 3.495 123.688 120.500 -0.512 0.000 2.239 247 R HA 0.466 4.806 4.340 -0.000 0.000 0.332 247 R C -1.437 174.814 176.300 -0.082 0.000 0.988 247 R CA -0.673 55.069 56.100 -0.597 0.000 0.859 247 R CB 1.083 30.610 30.300 -1.288 0.000 1.148 247 R HN 0.325 nan 8.270 nan 0.000 0.482 248 Y N 0.644 121.097 120.300 0.254 0.000 2.377 248 Y HA 0.534 5.084 4.550 -0.000 0.000 0.339 248 Y C 0.140 176.301 175.900 0.435 0.000 1.011 248 Y CA -1.934 56.349 58.100 0.306 0.000 1.093 248 Y CB 2.202 40.813 38.460 0.252 0.000 1.201 248 Y HN 0.566 nan 8.280 nan 0.000 0.455 249 A N 2.100 125.187 122.820 0.446 0.000 2.293 249 A HA 0.705 5.025 4.320 -0.000 0.000 0.312 249 A C 0.152 177.835 177.584 0.165 0.000 1.309 249 A CA -0.381 51.814 52.037 0.263 0.000 0.839 249 A CB -0.017 19.096 19.000 0.188 0.000 1.155 249 A HN 0.846 nan 8.150 nan 0.000 0.501 250 G N 0.950 109.823 108.800 0.122 0.000 2.343 250 G HA2 0.497 4.457 3.960 -0.000 0.000 0.319 250 G HA3 0.497 4.457 3.960 -0.000 0.000 0.319 250 G C -0.811 174.128 174.900 0.065 0.000 1.126 250 G CA -0.332 44.798 45.100 0.051 0.000 0.889 250 G HN 0.732 nan 8.290 nan 0.000 0.457 251 Y N 1.946 122.237 120.300 -0.016 0.000 2.387 251 Y HA 0.718 5.268 4.550 -0.000 0.000 0.330 251 Y C -0.104 175.785 175.900 -0.019 0.000 1.133 251 Y CA -0.728 57.367 58.100 -0.008 0.000 1.152 251 Y CB 1.888 40.351 38.460 0.005 0.000 1.215 251 Y HN 0.877 nan 8.280 nan 0.000 0.466 252 A N 5.580 127.675 122.820 -1.207 0.000 2.590 252 A HA 0.536 4.856 4.320 -0.000 0.000 0.296 252 A C -3.151 173.956 177.584 -0.796 0.000 1.050 252 A CA -1.584 49.918 52.037 -0.891 0.000 0.697 252 A CB 0.649 19.411 19.000 -0.397 0.000 1.277 252 A HN 0.537 nan 8.150 nan 0.000 0.411 253 P HA 0.318 nan 4.420 nan 0.000 0.266 253 P C -0.319 176.692 177.300 -0.482 0.000 1.186 253 P CA 0.767 63.595 63.100 -0.454 0.000 0.767 253 P CB 0.636 32.220 31.700 -0.194 0.000 0.820 254 A N 2.639 124.960 122.820 -0.831 0.000 2.393 254 A HA 0.762 5.082 4.320 -0.000 0.000 0.306 254 A C -1.413 175.597 177.584 -0.956 0.000 1.050 254 A CA -0.361 51.157 52.037 -0.866 0.000 0.724 254 A CB 0.775 18.899 19.000 -1.459 0.000 1.248 254 A HN 0.334 nan 8.150 nan 0.000 0.424 255 F N 1.409 121.217 119.950 -0.238 0.000 2.540 255 F HA 0.729 5.256 4.527 -0.000 0.000 0.317 255 F C 0.633 176.413 175.800 -0.033 0.000 1.104 255 F CA -0.321 57.658 58.000 -0.035 0.000 0.913 255 F CB 2.346 41.427 39.000 0.135 0.000 1.170 255 F HN 0.758 nan 8.300 nan 0.000 0.450 256 R N -0.393 120.107 120.500 -0.000 0.000 2.725 256 R HA 0.530 4.870 4.340 -0.000 0.000 0.277 256 R C -0.113 175.882 176.300 -0.508 0.000 0.987 256 R CA -0.517 55.502 56.100 -0.136 0.000 0.901 256 R CB 1.712 32.023 30.300 0.018 0.000 1.207 256 R HN 0.647 nan 8.270 nan 0.000 0.463 257 S N 0.443 115.858 115.700 -0.475 0.000 2.461 257 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 257 S C 0.125 174.715 174.600 -0.017 0.000 1.005 257 S CA 0.516 58.445 58.200 -0.451 0.000 0.942 257 S CB -0.334 62.785 63.200 -0.135 0.000 0.776 257 S HN 0.779 nan 8.310 nan 0.000 0.514 258 E N -0.097 120.061 120.200 -0.070 0.000 2.372 258 E HA -0.164 4.186 4.350 -0.000 0.000 0.254 258 E C 0.720 177.335 176.600 0.025 0.000 1.102 258 E CA 0.688 57.050 56.400 -0.063 0.000 0.740 258 E CB -1.865 27.723 29.700 -0.187 0.000 1.292 258 E HN 0.630 nan 8.360 nan 0.000 0.394 259 A N -0.091 122.751 122.820 0.038 0.000 1.872 259 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 259 A C 1.618 179.221 177.584 0.032 0.000 1.187 259 A CA 1.344 53.415 52.037 0.057 0.000 0.614 259 A CB -0.113 18.934 19.000 0.078 0.000 0.826 259 A HN 0.391 nan 8.150 nan 0.000 0.442 260 G N 1.226 110.040 108.800 0.024 0.000 2.563 260 G HA2 0.409 4.369 3.960 -0.000 0.000 0.295 260 G HA3 0.409 4.369 3.960 -0.000 0.000 0.295 260 G C -0.092 174.806 174.900 -0.004 0.000 0.874 260 G CA 0.561 45.665 45.100 0.006 0.000 1.642 260 G HN 0.545 nan 8.290 nan 0.000 0.483 261 S N 1.215 116.901 115.700 -0.024 0.000 2.526 261 S HA 0.730 5.200 4.470 -0.000 0.000 0.293 261 S C -1.037 173.548 174.600 -0.025 0.000 1.092 261 S CA -0.855 57.349 58.200 0.008 0.000 0.980 261 S CB 1.964 65.177 63.200 0.022 0.000 1.048 261 S HN 0.271 nan 8.310 nan 0.000 0.483 262 F N 1.049 120.997 119.950 -0.004 0.000 2.523 262 F HA 0.709 5.236 4.527 -0.000 0.000 0.329 262 F C 0.979 176.783 175.800 0.006 0.000 1.061 262 F CA -0.532 57.468 58.000 0.001 0.000 0.967 262 F CB 1.881 40.877 39.000 -0.007 0.000 1.218 262 F HN 0.835 nan 8.300 nan 0.000 0.480 263 G N 3.338 112.346 108.800 0.346 0.000 4.477 263 G HA2 0.498 4.458 3.960 -0.000 0.000 0.319 263 G HA3 0.498 4.458 3.960 -0.000 0.000 0.319 263 G C -0.313 174.686 174.900 0.164 0.000 1.391 263 G CA -0.198 45.016 45.100 0.190 0.000 1.261 263 G HN 0.303 nan 8.290 nan 0.000 0.556 264 K N -0.209 120.256 120.400 0.108 0.000 2.007 264 K HA 0.230 4.550 4.320 -0.000 0.000 0.251 264 K C -1.342 175.237 176.600 -0.035 0.000 0.799 264 K CA -0.828 55.446 56.287 -0.022 0.000 0.656 264 K CB 0.390 32.755 32.500 -0.224 0.000 1.646 264 K HN 0.051 nan 8.250 nan 0.000 0.479 265 D N 1.916 122.264 120.400 -0.087 0.000 2.367 265 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 265 D C 0.356 176.630 176.300 -0.043 0.000 1.300 265 D CA 0.342 54.313 54.000 -0.049 0.000 0.959 265 D CB 0.307 41.072 40.800 -0.058 0.000 1.064 265 D HN 0.158 nan 8.370 nan 0.000 0.509 266 V N 3.884 123.799 119.914 0.002 0.000 3.219 266 V HA 0.092 4.212 4.120 -0.000 0.000 0.240 266 V C 1.391 177.506 176.094 0.035 0.000 1.222 266 V CA -0.135 62.172 62.300 0.012 0.000 1.181 266 V CB 0.005 31.853 31.823 0.040 0.000 0.941 266 V HN 0.464 nan 8.190 nan 0.000 0.471 267 R N 0.712 121.248 120.500 0.059 0.000 2.758 267 R HA 0.244 4.584 4.340 -0.000 0.000 0.263 267 R C 1.066 177.434 176.300 0.113 0.000 1.010 267 R CA 1.446 57.602 56.100 0.093 0.000 1.114 267 R CB -0.172 30.165 30.300 0.062 0.000 0.985 267 R HN 0.540 nan 8.270 nan 0.000 0.439 268 G N 2.480 111.383 108.800 0.171 0.000 2.531 268 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.274 268 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.274 268 G C 0.591 175.609 174.900 0.197 0.000 1.159 268 G CA 0.221 45.395 45.100 0.123 0.000 0.969 268 G HN 0.576 nan 8.290 nan 0.000 0.554 269 L N 1.168 122.485 121.223 0.157 0.000 2.612 269 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 269 L C 2.756 179.534 176.870 -0.153 0.000 1.140 269 L CA 0.062 54.858 54.840 -0.073 0.000 0.896 269 L CB -0.362 41.625 42.059 -0.121 0.000 1.065 269 L HN 0.425 nan 8.230 nan 0.000 0.447 270 M N -0.632 118.920 119.600 -0.080 0.000 2.240 270 M HA 0.074 4.554 4.480 -0.000 0.000 0.257 270 M C 0.787 176.984 176.300 -0.171 0.000 1.107 270 M CA 1.187 56.399 55.300 -0.146 0.000 1.169 270 M CB -0.104 32.439 32.600 -0.095 0.000 1.307 270 M HN 0.037 nan 8.290 nan 0.000 0.447 271 R N 2.010 122.435 120.500 -0.124 0.000 2.312 271 R HA 0.450 4.790 4.340 -0.000 0.000 0.310 271 R C -0.922 175.287 176.300 -0.153 0.000 1.064 271 R CA -0.150 55.847 56.100 -0.171 0.000 0.983 271 R CB 0.995 31.221 30.300 -0.123 0.000 1.139 271 R HN 0.174 nan 8.270 nan 0.000 0.536 272 V N -0.853 118.971 119.914 -0.150 0.000 2.881 272 V HA 0.385 4.505 4.120 -0.000 0.000 0.316 272 V C 1.392 177.483 176.094 -0.006 0.000 1.070 272 V CA -0.740 61.552 62.300 -0.014 0.000 0.976 272 V CB 2.124 34.046 31.823 0.164 0.000 1.038 272 V HN 0.632 nan 8.190 nan 0.000 0.446 273 H N 0.757 119.906 119.070 0.131 0.000 2.389 273 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 273 H C 0.835 176.222 175.328 0.098 0.000 1.081 273 H CA 1.968 58.046 56.048 0.050 0.000 1.345 273 H CB 0.561 30.378 29.762 0.091 0.000 1.393 273 H HN 0.768 nan 8.280 nan 0.000 0.520 274 Q N 0.098 120.047 119.800 0.249 0.000 2.340 274 Q HA 0.416 4.756 4.340 -0.000 0.000 0.268 274 Q C -1.442 174.606 176.000 0.080 0.000 1.031 274 Q CA -0.693 55.022 55.803 -0.147 0.000 0.804 274 Q CB 1.542 30.123 28.738 -0.262 0.000 1.286 274 Q HN 0.084 nan 8.270 nan 0.000 0.448 275 F N -0.556 119.223 119.950 -0.285 0.000 2.923 275 F HA 0.560 5.087 4.527 -0.000 0.000 0.323 275 F C -1.694 173.935 175.800 -0.286 0.000 1.189 275 F CA -1.179 56.746 58.000 -0.124 0.000 0.930 275 F CB 1.038 40.002 39.000 -0.060 0.000 1.414 275 F HN 0.489 nan 8.300 nan 0.000 0.496 276 H N 0.176 119.288 119.070 0.070 0.000 2.505 276 H HA 0.621 5.177 4.556 -0.000 0.000 0.338 276 H C -1.086 174.272 175.328 0.051 0.000 1.057 276 H CA -0.755 55.298 56.048 0.008 0.000 1.202 276 H CB 1.865 31.739 29.762 0.187 0.000 1.466 276 H HN 0.491 nan 8.280 nan 0.000 0.499 277 K N 2.243 122.656 120.400 0.022 0.000 2.371 277 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 277 K C -1.321 175.323 176.600 0.074 0.000 0.934 277 K CA -0.865 55.453 56.287 0.051 0.000 0.798 277 K CB 2.149 34.629 32.500 -0.033 0.000 1.204 277 K HN 0.290 nan 8.250 nan 0.000 0.427 278 V N 2.922 122.892 119.914 0.094 0.000 2.378 278 V HA 0.274 4.394 4.120 -0.000 0.000 0.288 278 V C -0.537 175.581 176.094 0.041 0.000 1.016 278 V CA -0.754 61.606 62.300 0.100 0.000 0.840 278 V CB 1.289 33.171 31.823 0.099 0.000 0.994 278 V HN 0.703 nan 8.190 nan 0.000 0.431 279 E N 3.185 123.410 120.200 0.041 0.000 2.214 279 E HA 0.512 4.862 4.350 -0.000 0.000 0.274 279 E C -0.646 175.997 176.600 0.071 0.000 0.977 279 E CA -0.397 56.032 56.400 0.048 0.000 0.827 279 E CB 1.442 31.177 29.700 0.059 0.000 1.130 279 E HN 0.674 nan 8.360 nan 0.000 0.394 280 Q N 2.065 121.892 119.800 0.045 0.000 2.256 280 Q HA 0.436 4.776 4.340 -0.000 0.000 0.257 280 Q C -1.283 174.861 176.000 0.239 0.000 0.936 280 Q CA -0.823 54.995 55.803 0.025 0.000 0.903 280 Q CB 2.012 30.601 28.738 -0.249 0.000 1.263 280 Q HN 0.550 nan 8.270 nan 0.000 0.440 281 Y N 1.057 121.512 120.300 0.257 0.000 2.433 281 Y HA 0.529 5.079 4.550 -0.000 0.000 0.337 281 Y C -1.788 174.223 175.900 0.186 0.000 1.026 281 Y CA -0.793 57.429 58.100 0.203 0.000 1.037 281 Y CB 1.373 39.955 38.460 0.204 0.000 1.245 281 Y HN 0.434 nan 8.280 nan 0.000 0.443 282 V N 7.430 127.097 119.914 -0.411 0.000 2.656 282 V HA 0.476 4.596 4.120 -0.000 0.000 0.307 282 V C -1.018 174.751 176.094 -0.542 0.000 1.051 282 V CA -0.906 61.195 62.300 -0.332 0.000 0.893 282 V CB 1.971 33.713 31.823 -0.136 0.000 0.999 282 V HN 0.785 nan 8.190 nan 0.000 0.426 283 L N 3.725 124.707 121.223 -0.400 0.000 2.333 283 L HA 0.822 5.162 4.340 -0.000 0.000 0.280 283 L C -0.277 176.433 176.870 -0.266 0.000 1.004 283 L CA 0.299 54.967 54.840 -0.287 0.000 0.820 283 L CB 1.985 43.946 42.059 -0.164 0.000 1.247 283 L HN 0.811 nan 8.230 nan 0.000 0.416 284 T N 1.982 116.400 114.554 -0.226 0.000 2.865 284 T HA 0.383 4.733 4.350 -0.000 0.000 0.294 284 T C -1.140 173.318 174.700 -0.404 0.000 1.119 284 T CA -0.629 61.304 62.100 -0.278 0.000 1.007 284 T CB 1.384 70.150 68.868 -0.169 0.000 1.225 284 T HN 0.724 nan 8.240 nan 0.000 0.515 285 E N 1.107 121.006 120.200 -0.502 0.000 2.408 285 E HA 0.505 4.855 4.350 -0.000 0.000 0.259 285 E C -0.209 176.057 176.600 -0.557 0.000 1.110 285 E CA -0.628 55.353 56.400 -0.699 0.000 0.929 285 E CB 0.387 29.861 29.700 -0.377 0.000 0.971 285 E HN 0.577 nan 8.360 nan 0.000 0.438 286 A N 2.243 124.746 122.820 -0.527 0.000 2.981 286 A HA 0.302 4.622 4.320 -0.000 0.000 0.280 286 A C -0.251 176.973 177.584 -0.600 0.000 1.743 286 A CA -0.007 51.412 52.037 -1.030 0.000 1.430 286 A CB -1.082 17.606 19.000 -0.520 0.000 1.085 286 A HN 0.569 nan 8.150 nan 0.000 0.597 287 S N 1.014 116.489 115.700 -0.375 0.000 2.546 287 S HA 0.493 4.963 4.470 -0.000 0.000 0.272 287 S C 0.434 175.130 174.600 0.160 0.000 1.140 287 S CA -0.739 57.453 58.200 -0.013 0.000 0.920 287 S CB 0.760 63.959 63.200 -0.002 0.000 1.083 287 S HN 0.313 nan 8.310 nan 0.000 0.476 288 L N 1.767 123.087 121.223 0.161 0.000 2.131 288 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 288 L C 2.884 179.796 176.870 0.071 0.000 1.092 288 L CA 1.767 56.658 54.840 0.084 0.000 0.759 288 L CB -0.407 41.676 42.059 0.039 0.000 0.903 288 L HN 0.937 nan 8.230 nan 0.000 0.435 289 E N 1.019 121.258 120.200 0.064 0.000 2.106 289 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 289 E C 2.142 178.768 176.600 0.043 0.000 0.984 289 E CA 1.300 57.731 56.400 0.052 0.000 0.806 289 E CB 0.125 29.851 29.700 0.045 0.000 0.750 289 E HN 0.445 nan 8.360 nan 0.000 0.458 290 A N 0.916 123.759 122.820 0.039 0.000 1.855 290 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 290 A C 2.417 180.026 177.584 0.040 0.000 1.191 290 A CA 1.937 53.983 52.037 0.015 0.000 0.613 290 A CB -0.902 18.083 19.000 -0.026 0.000 0.829 290 A HN 0.368 nan 8.150 nan 0.000 0.442 291 S N -0.384 115.371 115.700 0.092 0.000 2.382 291 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 291 S C 1.550 176.198 174.600 0.081 0.000 1.027 291 S CA 1.699 59.954 58.200 0.092 0.000 0.991 291 S CB -0.508 62.725 63.200 0.054 0.000 0.823 291 S HN 0.542 nan 8.310 nan 0.000 0.469 292 D N 0.658 121.094 120.400 0.060 0.000 2.183 292 D HA -0.004 4.636 4.640 -0.000 0.000 0.203 292 D C 2.100 178.456 176.300 0.094 0.000 0.969 292 D CA 0.595 54.630 54.000 0.058 0.000 0.842 292 D CB -0.314 40.506 40.800 0.033 0.000 0.957 292 D HN 0.424 nan 8.370 nan 0.000 0.484 293 R N 0.671 121.212 120.500 0.069 0.000 2.075 293 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 293 R C 2.039 178.380 176.300 0.068 0.000 1.126 293 R CA 1.354 57.489 56.100 0.059 0.000 0.963 293 R CB -0.027 30.292 30.300 0.031 0.000 0.858 293 R HN 0.075 nan 8.270 nan 0.000 0.435 294 A N -0.045 122.816 122.820 0.068 0.000 1.897 294 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 294 A C 1.959 179.599 177.584 0.094 0.000 1.181 294 A CA 0.911 52.986 52.037 0.062 0.000 0.620 294 A CB -0.704 18.314 19.000 0.030 0.000 0.821 294 A HN 0.474 nan 8.150 nan 0.000 0.443 295 F N 0.559 120.499 119.950 -0.017 0.000 2.126 295 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 295 F C 2.534 178.317 175.800 -0.027 0.000 1.096 295 F CA 2.293 60.275 58.000 -0.031 0.000 1.255 295 F CB -0.157 38.808 39.000 -0.059 0.000 0.997 295 F HN 0.348 nan 8.300 nan 0.000 0.479 296 Q N -0.042 119.880 119.800 0.203 0.000 2.124 296 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 296 Q C 2.257 178.275 176.000 0.030 0.000 0.977 296 Q CA 1.896 57.769 55.803 0.116 0.000 0.850 296 Q CB -0.224 28.577 28.738 0.105 0.000 0.901 296 Q HN 0.617 nan 8.270 nan 0.000 0.429 297 E N -0.386 119.834 120.200 0.033 0.000 2.047 297 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 297 E C 1.898 178.493 176.600 -0.008 0.000 0.987 297 E CA 0.736 57.160 56.400 0.040 0.000 0.799 297 E CB 0.078 29.832 29.700 0.090 0.000 0.752 297 E HN 0.223 nan 8.360 nan 0.000 0.449 298 L N 0.628 121.810 121.223 -0.068 0.000 2.042 298 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 298 L C 2.316 179.059 176.870 -0.211 0.000 1.076 298 L CA 1.265 56.005 54.840 -0.167 0.000 0.749 298 L CB -0.937 40.971 42.059 -0.252 0.000 0.893 298 L HN 0.294 nan 8.230 nan 0.000 0.432 299 L N -0.546 120.536 121.223 -0.235 0.000 2.056 299 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 299 L C 2.496 179.288 176.870 -0.130 0.000 1.078 299 L CA 1.551 56.268 54.840 -0.204 0.000 0.749 299 L CB -0.791 41.178 42.059 -0.150 0.000 0.901 299 L HN 0.358 nan 8.230 nan 0.000 0.433 300 E N -0.901 119.261 120.200 -0.063 0.000 2.153 300 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 300 E C 1.901 178.487 176.600 -0.024 0.000 0.988 300 E CA 1.266 57.652 56.400 -0.023 0.000 0.811 300 E CB -0.170 29.543 29.700 0.021 0.000 0.746 300 E HN 0.623 nan 8.360 nan 0.000 0.466 301 N N 0.533 119.217 118.700 -0.028 0.000 2.039 301 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 301 N C 1.991 177.436 175.510 -0.108 0.000 1.044 301 N CA 0.936 54.005 53.050 0.031 0.000 0.847 301 N CB -0.162 38.303 38.487 -0.036 0.000 1.030 301 N HN 0.095 nan 8.380 nan 0.000 0.422 302 A N 1.466 124.153 122.820 -0.221 0.000 1.908 302 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 302 A C 1.955 179.239 177.584 -0.500 0.000 1.181 302 A CA 1.439 53.227 52.037 -0.414 0.000 0.627 302 A CB -0.456 18.211 19.000 -0.556 0.000 0.818 302 A HN 0.321 nan 8.150 nan 0.000 0.445 303 E N -1.030 118.936 120.200 -0.389 0.000 2.106 303 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 303 E C 2.052 178.480 176.600 -0.287 0.000 0.984 303 E CA 1.122 57.261 56.400 -0.436 0.000 0.806 303 E CB -0.068 29.526 29.700 -0.177 0.000 0.750 303 E HN 0.656 nan 8.360 nan 0.000 0.458 304 E N 1.237 121.339 120.200 -0.163 0.000 2.077 304 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 304 E C 1.834 178.287 176.600 -0.246 0.000 0.989 304 E CA 0.893 57.238 56.400 -0.092 0.000 0.800 304 E CB -0.185 29.576 29.700 0.101 0.000 0.746 304 E HN 0.217 nan 8.360 nan 0.000 0.452 305 I N -0.183 120.111 120.570 -0.460 0.000 2.208 305 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 305 I C 1.916 177.929 176.117 -0.173 0.000 1.097 305 I CA 0.584 61.619 61.300 -0.443 0.000 1.363 305 I CB -0.159 37.572 38.000 -0.448 0.000 1.051 305 I HN 0.206 nan 8.210 nan 0.000 0.413 306 L N 0.502 121.586 121.223 -0.233 0.000 2.141 306 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 306 L C 2.520 179.358 176.870 -0.053 0.000 1.094 306 L CA 1.585 56.316 54.840 -0.183 0.000 0.763 306 L CB -0.967 40.824 42.059 -0.447 0.000 0.908 306 L HN 0.160 nan 8.230 nan 0.000 0.437 307 R N -1.180 119.296 120.500 -0.041 0.000 2.066 307 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 307 R C 2.043 178.372 176.300 0.048 0.000 1.131 307 R CA 1.146 57.285 56.100 0.066 0.000 0.955 307 R CB -0.111 30.233 30.300 0.072 0.000 0.851 307 R HN 0.166 nan 8.270 nan 0.000 0.432 308 L N 0.718 121.956 121.223 0.024 0.000 2.083 308 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 308 L C 2.166 179.023 176.870 -0.022 0.000 1.083 308 L CA 1.308 56.170 54.840 0.036 0.000 0.752 308 L CB -0.990 41.135 42.059 0.109 0.000 0.899 308 L HN 0.267 nan 8.230 nan 0.000 0.433 309 L N -0.175 121.029 121.223 -0.031 0.000 2.376 309 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 309 L C 0.788 177.729 176.870 0.119 0.000 1.133 309 L CA 0.666 55.493 54.840 -0.022 0.000 0.816 309 L CB -0.493 41.544 42.059 -0.035 0.000 0.933 309 L HN 0.401 nan 8.230 nan 0.000 0.449 310 E N -0.235 120.035 120.200 0.117 0.000 2.298 310 E HA -0.201 4.149 4.350 -0.000 0.000 0.235 310 E C -0.626 176.136 176.600 0.271 0.000 1.167 310 E CA 0.037 56.541 56.400 0.174 0.000 0.708 310 E CB -1.721 28.044 29.700 0.108 0.000 1.236 310 E HN 0.289 nan 8.360 nan 0.000 0.386 311 L N 0.867 122.210 121.223 0.200 0.000 2.362 311 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 311 L C -1.938 175.084 176.870 0.254 0.000 1.002 311 L CA -2.312 52.636 54.840 0.181 0.000 0.818 311 L CB 1.466 43.592 42.059 0.112 0.000 1.298 311 L HN -0.111 nan 8.230 nan 0.000 0.420 312 P HA 0.110 nan 4.420 nan 0.000 0.267 312 P C -1.599 175.934 177.300 0.388 0.000 1.209 312 P CA 0.281 63.513 63.100 0.220 0.000 0.763 312 P CB 0.360 32.151 31.700 0.152 0.000 0.816 313 Y N 1.491 121.911 120.300 0.200 0.000 2.818 313 Y HA 0.825 5.375 4.550 -0.000 0.000 0.322 313 Y C -0.421 175.462 175.900 -0.028 0.000 1.323 313 Y CA -1.550 56.660 58.100 0.183 0.000 1.090 313 Y CB 1.351 39.852 38.460 0.069 0.000 1.328 313 Y HN 0.526 nan 8.280 nan 0.000 0.482 314 R N 0.222 120.724 120.500 0.002 0.000 2.664 314 R HA 0.670 5.010 4.340 -0.000 0.000 0.266 314 R C -2.637 173.645 176.300 -0.029 0.000 1.046 314 R CA -0.914 55.060 56.100 -0.210 0.000 0.885 314 R CB 1.129 31.085 30.300 -0.573 0.000 1.254 314 R HN 0.551 nan 8.270 nan 0.000 0.465 315 L N 1.537 122.744 121.223 -0.027 0.000 2.309 315 L HA 0.591 4.931 4.340 -0.000 0.000 0.282 315 L C -0.709 176.157 176.870 -0.008 0.000 1.036 315 L CA -0.751 54.100 54.840 0.018 0.000 0.806 315 L CB 2.151 44.239 42.059 0.048 0.000 1.220 315 L HN 0.523 nan 8.230 nan 0.000 0.429 316 V N 2.165 122.087 119.914 0.014 0.000 2.407 316 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 316 V C -0.094 176.026 176.094 0.045 0.000 1.018 316 V CA -0.885 61.423 62.300 0.015 0.000 0.842 316 V CB 1.649 33.478 31.823 0.010 0.000 0.996 316 V HN 0.716 nan 8.190 nan 0.000 0.426 317 E N 3.817 124.050 120.200 0.054 0.000 2.376 317 E HA 0.268 4.618 4.350 -0.000 0.000 0.266 317 E C -0.641 175.999 176.600 0.067 0.000 1.009 317 E CA 0.169 56.620 56.400 0.085 0.000 0.902 317 E CB 1.121 30.884 29.700 0.105 0.000 0.972 317 E HN 0.444 nan 8.360 nan 0.000 0.439 318 V N 4.033 123.992 119.914 0.076 0.000 2.481 318 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 318 V C 0.393 176.514 176.094 0.044 0.000 1.042 318 V CA -0.387 61.944 62.300 0.053 0.000 0.928 318 V CB 1.305 33.160 31.823 0.053 0.000 0.986 318 V HN 0.902 nan 8.190 nan 0.000 0.462 319 A N 3.041 125.873 122.820 0.021 0.000 2.351 319 A HA 0.439 4.759 4.320 -0.000 0.000 0.257 319 A C 1.550 179.129 177.584 -0.009 0.000 1.087 319 A CA 0.361 52.397 52.037 -0.003 0.000 0.798 319 A CB 0.375 19.370 19.000 -0.008 0.000 1.033 319 A HN 1.118 nan 8.150 nan 0.000 0.488 320 T N -0.550 113.984 114.554 -0.033 0.000 2.759 320 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 320 T C 1.628 176.314 174.700 -0.024 0.000 1.042 320 T CA 1.813 63.889 62.100 -0.039 0.000 1.140 320 T CB -0.629 68.199 68.868 -0.066 0.000 0.864 320 T HN 0.963 nan 8.240 nan 0.000 0.455 321 G N 0.322 109.113 108.800 -0.016 0.000 2.650 321 G HA2 0.013 3.973 3.960 -0.000 0.000 0.214 321 G HA3 0.013 3.973 3.960 -0.000 0.000 0.214 321 G C 1.094 175.999 174.900 0.009 0.000 1.136 321 G CA 0.616 45.714 45.100 -0.004 0.000 0.789 321 G HN 0.598 nan 8.290 nan 0.000 0.536 322 D N -0.880 119.527 120.400 0.012 0.000 2.398 322 D HA 0.204 4.844 4.640 -0.000 0.000 0.210 322 D C 2.344 178.660 176.300 0.026 0.000 1.094 322 D CA -0.106 53.909 54.000 0.025 0.000 0.839 322 D CB 0.082 40.898 40.800 0.027 0.000 0.963 322 D HN 0.161 nan 8.370 nan 0.000 0.506 323 M N -0.161 119.447 119.600 0.014 0.000 2.200 323 M HA 0.180 4.660 4.480 -0.000 0.000 0.265 323 M C 0.902 177.205 176.300 0.004 0.000 1.066 323 M CA 1.130 56.435 55.300 0.007 0.000 1.127 323 M CB -0.015 32.578 32.600 -0.012 0.000 1.379 323 M HN 0.117 nan 8.290 nan 0.000 0.420 324 G N 0.157 108.961 108.800 0.006 0.000 2.719 324 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 324 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 324 G C -2.338 172.501 174.900 -0.102 0.000 1.201 324 G CA -0.625 44.483 45.100 0.013 0.000 0.768 324 G HN 0.123 nan 8.290 nan 0.000 0.629 325 P HA -0.043 nan 4.420 nan 0.000 0.217 325 P C 1.550 178.509 177.300 -0.567 0.000 1.150 325 P CA 2.113 65.072 63.100 -0.235 0.000 0.832 325 P CB 0.045 31.675 31.700 -0.117 0.000 0.787 326 G N -0.962 107.229 108.800 -1.014 0.000 3.284 326 G HA2 0.075 4.035 3.960 -0.000 0.000 0.236 326 G HA3 0.075 4.035 3.960 -0.000 0.000 0.236 326 G C 0.351 174.832 174.900 -0.698 0.000 1.158 326 G CA -0.107 43.940 45.100 -1.756 0.000 0.774 326 G HN 0.180 nan 8.290 nan 0.000 0.545 327 K N -0.307 119.891 120.400 -0.338 0.000 2.144 327 K HA 0.291 4.611 4.320 -0.000 0.000 0.270 327 K C 0.406 177.029 176.600 0.039 0.000 1.005 327 K CA -0.855 55.376 56.287 -0.094 0.000 0.932 327 K CB 1.307 33.777 32.500 -0.049 0.000 1.021 327 K HN 0.227 nan 8.250 nan 0.000 0.462 328 W N 3.171 124.401 121.300 -0.116 0.000 2.699 328 W HA 0.157 4.817 4.660 -0.000 0.000 0.267 328 W C -0.242 176.230 176.519 -0.080 0.000 1.182 328 W CA 0.298 57.589 57.345 -0.090 0.000 1.453 328 W CB 0.647 30.024 29.460 -0.140 0.000 1.054 328 W HN 0.476 nan 8.180 nan 0.000 0.595 329 R N 1.376 121.818 120.500 -0.096 0.000 2.604 329 R HA 0.259 4.599 4.340 -0.000 0.000 0.270 329 R C -1.845 174.402 176.300 -0.088 0.000 1.052 329 R CA -0.404 55.460 56.100 -0.394 0.000 0.902 329 R CB 1.538 31.215 30.300 -1.039 0.000 1.233 329 R HN 0.030 nan 8.270 nan 0.000 0.455 330 Q N 3.172 122.970 119.800 -0.004 0.000 2.271 330 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 330 Q C -1.783 174.308 176.000 0.151 0.000 1.021 330 Q CA -0.882 55.005 55.803 0.141 0.000 0.802 330 Q CB 2.509 31.297 28.738 0.083 0.000 1.282 330 Q HN 0.474 nan 8.270 nan 0.000 0.431 331 V N 3.188 123.236 119.914 0.223 0.000 2.628 331 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 331 V C -0.860 175.283 176.094 0.082 0.000 1.045 331 V CA -0.639 61.749 62.300 0.148 0.000 0.905 331 V CB 2.077 34.008 31.823 0.180 0.000 0.997 331 V HN 0.803 nan 8.190 nan 0.000 0.436 332 D N 2.984 123.419 120.400 0.059 0.000 2.185 332 D HA 0.603 5.243 4.640 -0.000 0.000 0.247 332 D C -0.614 175.712 176.300 0.044 0.000 1.027 332 D CA -0.191 53.838 54.000 0.048 0.000 0.861 332 D CB 2.220 43.048 40.800 0.046 0.000 1.202 332 D HN 0.206 nan 8.370 nan 0.000 0.453 333 I N 1.442 122.042 120.570 0.049 0.000 2.392 333 I HA 0.229 4.399 4.170 -0.000 0.000 0.295 333 I C 0.474 176.657 176.117 0.110 0.000 0.985 333 I CA -0.293 61.039 61.300 0.053 0.000 1.221 333 I CB 1.122 39.073 38.000 -0.082 0.000 1.366 333 I HN 0.128 nan 8.210 nan 0.000 0.467 334 E N 4.278 124.565 120.200 0.145 0.000 2.317 334 E HA 0.719 5.069 4.350 -0.000 0.000 0.270 334 E C -1.468 175.344 176.600 0.354 0.000 0.885 334 E CA -0.877 55.643 56.400 0.200 0.000 0.760 334 E CB 2.917 32.729 29.700 0.187 0.000 1.227 334 E HN 0.203 nan 8.360 nan 0.000 0.434 335 V N 1.866 121.980 119.914 0.333 0.000 2.769 335 V HA 0.218 4.338 4.120 -0.000 0.000 0.312 335 V C -1.057 175.173 176.094 0.226 0.000 1.061 335 V CA -0.934 61.574 62.300 0.346 0.000 0.931 335 V CB 1.508 33.428 31.823 0.162 0.000 1.010 335 V HN 0.624 nan 8.190 nan 0.000 0.433 336 Y N 3.705 123.953 120.300 -0.087 0.000 2.402 336 Y HA 0.491 5.041 4.550 -0.000 0.000 0.333 336 Y C -0.299 175.450 175.900 -0.251 0.000 1.076 336 Y CA -0.678 57.115 58.100 -0.512 0.000 1.299 336 Y CB 1.132 39.190 38.460 -0.670 0.000 1.197 336 Y HN 0.520 nan 8.280 nan 0.000 0.517 337 L N 11.091 131.862 121.223 -0.752 0.000 2.360 337 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 337 L C -2.022 174.353 176.870 -0.826 0.000 1.066 337 L CA -2.256 52.226 54.840 -0.597 0.000 0.929 337 L CB 0.760 42.600 42.059 -0.366 0.000 1.306 337 L HN 0.495 nan 8.230 nan 0.000 0.434 338 P HA -0.339 nan 4.420 nan 0.000 0.218 338 P C 1.678 178.836 177.300 -0.237 0.000 1.132 338 P CA 2.632 65.488 63.100 -0.407 0.000 0.968 338 P CB 0.115 31.796 31.700 -0.031 0.000 0.783 339 S N -0.794 114.812 115.700 -0.158 0.000 2.365 339 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 339 S C 1.877 176.408 174.600 -0.115 0.000 1.039 339 S CA 1.734 59.871 58.200 -0.104 0.000 1.033 339 S CB -1.380 61.775 63.200 -0.074 0.000 0.887 339 S HN 0.266 nan 8.310 nan 0.000 0.447 340 E N 0.947 121.051 120.200 -0.160 0.000 2.347 340 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 340 E C 1.331 177.846 176.600 -0.141 0.000 1.008 340 E CA 0.268 56.584 56.400 -0.141 0.000 0.852 340 E CB -0.536 29.071 29.700 -0.156 0.000 0.783 340 E HN 0.804 nan 8.360 nan 0.000 0.505 341 G N 2.481 111.155 108.800 -0.210 0.000 2.198 341 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 341 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 341 G C 0.204 175.081 174.900 -0.039 0.000 1.025 341 G CA 1.125 46.162 45.100 -0.105 0.000 0.769 341 G HN 0.397 nan 8.290 nan 0.000 0.507 342 R N -2.438 117.943 120.500 -0.199 0.000 2.870 342 R HA 0.739 5.079 4.340 -0.000 0.000 0.262 342 R C -1.233 174.998 176.300 -0.116 0.000 1.112 342 R CA -1.257 54.824 56.100 -0.031 0.000 0.976 342 R CB 0.928 31.224 30.300 -0.006 0.000 1.261 342 R HN 0.111 nan 8.270 nan 0.000 0.453 343 Y N 0.371 120.726 120.300 0.093 0.000 2.341 343 Y HA 0.512 5.062 4.550 -0.000 0.000 0.337 343 Y C 0.039 175.946 175.900 0.013 0.000 1.014 343 Y CA -0.725 57.428 58.100 0.088 0.000 1.111 343 Y CB 1.641 40.167 38.460 0.110 0.000 1.194 343 Y HN 0.179 nan 8.280 nan 0.000 0.462 344 R N 1.991 122.554 120.500 0.105 0.000 2.589 344 R HA 0.215 4.555 4.340 -0.000 0.000 0.293 344 R C -0.488 175.841 176.300 0.048 0.000 0.963 344 R CA -1.054 55.062 56.100 0.027 0.000 0.905 344 R CB 1.894 32.156 30.300 -0.063 0.000 1.144 344 R HN 0.787 nan 8.270 nan 0.000 0.459 345 E N 1.082 121.295 120.200 0.021 0.000 2.415 345 E HA -0.049 4.301 4.350 -0.000 0.000 0.263 345 E C 0.040 176.635 176.600 -0.008 0.000 0.995 345 E CA 0.532 56.947 56.400 0.024 0.000 0.915 345 E CB 0.659 30.360 29.700 0.001 0.000 0.951 345 E HN 0.698 nan 8.360 nan 0.000 0.449 346 T N 0.926 115.501 114.554 0.036 0.000 3.016 346 T HA 0.182 4.532 4.350 -0.000 0.000 0.271 346 T C 0.100 174.703 174.700 -0.162 0.000 0.968 346 T CA -0.359 61.707 62.100 -0.057 0.000 0.891 346 T CB 0.091 68.954 68.868 -0.008 0.000 1.149 346 T HN 0.492 nan 8.240 nan 0.000 0.524 347 H N 0.283 119.319 119.070 -0.055 0.000 3.038 347 H HA 0.558 5.114 4.556 -0.000 0.000 0.362 347 H C -1.380 173.918 175.328 -0.051 0.000 1.167 347 H CA -0.756 55.254 56.048 -0.064 0.000 1.197 347 H CB 2.336 32.041 29.762 -0.095 0.000 1.840 347 H HN 0.052 nan 8.280 nan 0.000 0.540 348 S N 1.802 117.539 115.700 0.062 0.000 2.774 348 S HA 0.150 4.620 4.470 -0.000 0.000 0.297 348 S C -0.176 174.423 174.600 -0.001 0.000 1.143 348 S CA -0.403 57.815 58.200 0.031 0.000 1.090 348 S CB 0.963 64.178 63.200 0.025 0.000 1.019 348 S HN 0.595 nan 8.310 nan 0.000 0.482 349 C N 4.098 123.366 119.300 -0.053 0.000 2.576 349 C HA 0.687 5.147 4.460 -0.000 0.000 0.401 349 C C 0.323 175.288 174.990 -0.042 0.000 1.314 349 C CA 0.217 59.109 59.018 -0.209 0.000 1.855 349 C CB -1.058 26.404 27.740 -0.463 0.000 2.537 349 C HN 0.849 nan 8.230 nan 0.000 0.578 350 S N 3.463 119.188 115.700 0.043 0.000 2.540 350 S HA 0.799 5.269 4.470 -0.000 0.000 0.275 350 S C -0.783 174.008 174.600 0.318 0.000 1.123 350 S CA -0.493 57.860 58.200 0.255 0.000 0.907 350 S CB 1.711 64.989 63.200 0.130 0.000 1.081 350 S HN 1.131 nan 8.310 nan 0.000 0.476 351 A N 1.586 124.624 122.820 0.364 0.000 2.330 351 A HA 0.833 5.153 4.320 -0.000 0.000 0.327 351 A C -0.387 177.281 177.584 0.141 0.000 1.155 351 A CA -0.538 51.641 52.037 0.236 0.000 0.803 351 A CB 0.364 19.487 19.000 0.205 0.000 1.208 351 A HN 0.725 nan 8.150 nan 0.000 0.477 352 L N 2.328 123.588 121.223 0.061 0.000 3.259 352 L HA 0.297 4.637 4.340 -0.000 0.000 0.292 352 L C 0.679 177.537 176.870 -0.020 0.000 1.219 352 L CA 0.227 55.106 54.840 0.066 0.000 1.035 352 L CB -0.716 41.436 42.059 0.156 0.000 1.424 352 L HN 0.934 nan 8.230 nan 0.000 0.603 353 L N -0.056 121.006 121.223 -0.269 0.000 5.704 353 L HA -0.398 3.942 4.340 -0.000 0.000 0.053 353 L C 1.013 177.769 176.870 -0.191 0.000 2.571 353 L CA 1.770 56.180 54.840 -0.716 0.000 1.641 353 L CB -1.002 40.491 42.059 -0.942 0.000 2.792 353 L HN 0.515 nan 8.230 nan 0.000 0.961 354 D N -1.633 118.748 120.400 -0.033 0.000 2.368 354 D HA -0.025 4.615 4.640 -0.000 0.000 0.218 354 D C 1.403 177.798 176.300 0.157 0.000 1.112 354 D CA 0.087 54.212 54.000 0.210 0.000 0.834 354 D CB -0.245 40.747 40.800 0.320 0.000 0.953 354 D HN 0.601 nan 8.370 nan 0.000 0.505 355 W N 2.214 123.513 121.300 -0.002 0.000 2.355 355 W HA -0.187 4.473 4.660 -0.000 0.000 0.309 355 W C 2.362 178.901 176.519 0.034 0.000 1.206 355 W CA 2.717 60.071 57.345 0.016 0.000 1.284 355 W CB 0.145 29.628 29.460 0.039 0.000 1.145 355 W HN 0.178 nan 8.180 nan 0.000 0.502 356 Q N -1.276 118.669 119.800 0.242 0.000 2.339 356 Q HA 0.153 4.493 4.340 -0.000 0.000 0.205 356 Q C 2.142 178.180 176.000 0.063 0.000 0.925 356 Q CA 0.908 56.760 55.803 0.082 0.000 0.898 356 Q CB -0.825 28.080 28.738 0.278 0.000 1.013 356 Q HN 0.139 nan 8.270 nan 0.000 0.504 357 A N 2.299 125.203 122.820 0.140 0.000 1.948 357 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 357 A C 2.153 179.822 177.584 0.142 0.000 1.177 357 A CA 1.480 53.635 52.037 0.197 0.000 0.636 357 A CB -0.504 18.674 19.000 0.296 0.000 0.815 357 A HN 0.346 nan 8.150 nan 0.000 0.449 358 R N -0.994 119.431 120.500 -0.125 0.000 2.237 358 R HA -0.035 4.305 4.340 -0.000 0.000 0.219 358 R C 2.216 178.408 176.300 -0.182 0.000 1.080 358 R CA 1.178 57.061 56.100 -0.361 0.000 0.995 358 R CB -0.139 29.833 30.300 -0.547 0.000 0.875 358 R HN 0.544 nan 8.270 nan 0.000 0.462 359 R N -0.126 120.275 120.500 -0.166 0.000 2.075 359 R HA 0.125 4.465 4.340 -0.000 0.000 0.220 359 R C 1.895 178.180 176.300 -0.024 0.000 1.118 359 R CA 0.999 57.015 56.100 -0.140 0.000 0.986 359 R CB -0.014 30.149 30.300 -0.228 0.000 0.884 359 R HN 0.055 nan 8.270 nan 0.000 0.439 360 A N 0.995 123.828 122.820 0.021 0.000 2.238 360 A HA -0.019 4.301 4.320 -0.000 0.000 0.208 360 A C 0.435 178.085 177.584 0.110 0.000 1.177 360 A CA 0.004 52.079 52.037 0.063 0.000 0.804 360 A CB -0.561 18.486 19.000 0.079 0.000 0.823 360 A HN 0.581 nan 8.150 nan 0.000 0.482 361 N N -0.879 117.920 118.700 0.165 0.000 2.735 361 N HA -0.143 4.597 4.740 -0.000 0.000 0.248 361 N C -0.923 174.697 175.510 0.183 0.000 1.083 361 N CA 0.223 53.407 53.050 0.223 0.000 0.703 361 N CB -0.978 37.588 38.487 0.131 0.000 1.005 361 N HN 0.492 nan 8.380 nan 0.000 0.550 362 L N 1.432 122.795 121.223 0.234 0.000 2.325 362 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 362 L C 0.756 177.730 176.870 0.172 0.000 1.089 362 L CA 0.124 55.082 54.840 0.197 0.000 0.836 362 L CB 0.778 42.970 42.059 0.221 0.000 1.184 362 L HN 0.108 nan 8.230 nan 0.000 0.444 363 R N 2.277 122.818 120.500 0.069 0.000 2.854 363 R HA 0.675 5.015 4.340 -0.000 0.000 0.271 363 R C -1.224 175.157 176.300 0.135 0.000 0.994 363 R CA -0.595 55.508 56.100 0.006 0.000 0.945 363 R CB 2.024 32.215 30.300 -0.182 0.000 1.194 363 R HN 0.426 nan 8.270 nan 0.000 0.476 364 Y N -1.997 118.256 120.300 -0.078 0.000 2.669 364 Y HA 0.656 5.206 4.550 -0.000 0.000 0.335 364 Y C -1.168 174.711 175.900 -0.036 0.000 1.116 364 Y CA -1.640 56.434 58.100 -0.042 0.000 1.081 364 Y CB 1.328 39.778 38.460 -0.016 0.000 1.297 364 Y HN 0.451 nan 8.280 nan 0.000 0.484 365 R N 2.497 122.975 120.500 -0.037 0.000 2.337 365 R HA 0.225 4.565 4.340 -0.000 0.000 0.319 365 R C -0.822 175.414 176.300 -0.107 0.000 0.954 365 R CA -0.525 55.477 56.100 -0.163 0.000 0.840 365 R CB 0.583 30.851 30.300 -0.053 0.000 1.164 365 R HN 0.964 nan 8.270 nan 0.000 0.472 366 D N 5.572 125.744 120.400 -0.381 0.000 2.357 366 D HA 0.044 4.684 4.640 -0.000 0.000 0.242 366 D C -1.470 174.634 176.300 -0.326 0.000 1.153 366 D CA -1.447 52.348 54.000 -0.342 0.000 0.918 366 D CB 1.484 42.022 40.800 -0.437 0.000 1.181 366 D HN 0.336 nan 8.370 nan 0.000 0.435 367 P HA -0.120 nan 4.420 nan 0.000 0.222 367 P C 0.553 177.727 177.300 -0.209 0.000 1.147 367 P CA 1.005 63.883 63.100 -0.369 0.000 0.790 367 P CB 0.310 31.711 31.700 -0.499 0.000 0.780 368 E N -0.626 119.458 120.200 -0.193 0.000 2.478 368 E HA 0.143 4.493 4.350 -0.000 0.000 0.198 368 E C 1.535 178.065 176.600 -0.117 0.000 1.046 368 E CA 0.936 57.257 56.400 -0.132 0.000 0.870 368 E CB -0.903 28.726 29.700 -0.118 0.000 0.818 368 E HN 0.334 nan 8.360 nan 0.000 0.527 369 G N 0.440 109.159 108.800 -0.134 0.000 2.141 369 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.231 369 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.231 369 G C 0.117 174.938 174.900 -0.132 0.000 0.984 369 G CA -0.292 44.740 45.100 -0.113 0.000 0.660 369 G HN 0.059 nan 8.290 nan 0.000 0.525 370 R N 0.116 120.515 120.500 -0.169 0.000 2.340 370 R HA 0.446 4.786 4.340 -0.000 0.000 0.300 370 R C 0.087 176.234 176.300 -0.255 0.000 1.069 370 R CA -0.320 55.672 56.100 -0.181 0.000 0.984 370 R CB 1.504 31.698 30.300 -0.178 0.000 1.003 370 R HN 0.104 nan 8.270 nan 0.000 0.459 371 V N 5.569 125.345 119.914 -0.230 0.000 2.383 371 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 371 V C 0.390 176.284 176.094 -0.334 0.000 1.036 371 V CA -0.273 61.852 62.300 -0.291 0.000 0.889 371 V CB 1.193 32.889 31.823 -0.210 0.000 0.985 371 V HN 0.640 nan 8.190 nan 0.000 0.459 372 R N 3.003 123.208 120.500 -0.491 0.000 2.807 372 R HA 0.530 4.870 4.340 -0.000 0.000 0.276 372 R C -1.363 174.863 176.300 -0.124 0.000 0.979 372 R CA -0.880 55.030 56.100 -0.316 0.000 0.928 372 R CB 1.837 31.920 30.300 -0.361 0.000 1.191 372 R HN 0.550 nan 8.270 nan 0.000 0.471 373 Y N 0.880 121.228 120.300 0.079 0.000 2.597 373 Y HA 0.162 4.712 4.550 -0.000 0.000 0.336 373 Y C 0.936 176.983 175.900 0.245 0.000 1.216 373 Y CA 0.540 58.732 58.100 0.154 0.000 1.463 373 Y CB 0.615 39.153 38.460 0.129 0.000 1.303 373 Y HN 0.653 nan 8.280 nan 0.000 0.576 374 A N 2.729 125.773 122.820 0.373 0.000 2.239 374 A HA 0.607 4.927 4.320 -0.000 0.000 0.303 374 A C -1.499 176.253 177.584 0.279 0.000 1.114 374 A CA -0.525 51.616 52.037 0.173 0.000 0.871 374 A CB 0.416 19.416 19.000 -0.001 0.000 1.201 374 A HN 0.579 nan 8.150 nan 0.000 0.506 375 Y N 0.084 120.374 120.300 -0.018 0.000 2.342 375 Y HA 0.538 5.088 4.550 -0.000 0.000 0.334 375 Y C 0.910 176.769 175.900 -0.068 0.000 1.067 375 Y CA -0.982 57.101 58.100 -0.029 0.000 1.128 375 Y CB 1.569 39.985 38.460 -0.072 0.000 1.200 375 Y HN 0.755 nan 8.280 nan 0.000 0.464 376 T N 1.442 116.053 114.554 0.096 0.000 2.912 376 T HA 0.901 5.251 4.350 -0.000 0.000 0.288 376 T C -0.980 173.680 174.700 -0.066 0.000 1.030 376 T CA -0.755 61.311 62.100 -0.057 0.000 1.020 376 T CB 1.877 70.754 68.868 0.015 0.000 1.056 376 T HN 0.270 nan 8.240 nan 0.000 0.480 377 L N 1.854 122.972 121.223 -0.175 0.000 2.469 377 L HA 0.688 5.028 4.340 -0.000 0.000 0.256 377 L C -0.625 176.189 176.870 -0.093 0.000 1.006 377 L CA -0.792 54.010 54.840 -0.062 0.000 0.832 377 L CB 2.334 44.387 42.059 -0.010 0.000 1.421 377 L HN 1.034 nan 8.230 nan 0.000 0.410 378 N N 0.537 119.233 118.700 -0.007 0.000 2.484 378 N HA 0.453 5.193 4.740 -0.000 0.000 0.269 378 N C -1.899 173.602 175.510 -0.014 0.000 1.237 378 N CA -0.757 52.317 53.050 0.040 0.000 0.838 378 N CB 2.953 41.529 38.487 0.148 0.000 1.593 378 N HN 0.699 nan 8.380 nan 0.000 0.485 379 N N -0.198 118.492 118.700 -0.018 0.000 2.504 379 N HA 0.184 4.924 4.740 -0.000 0.000 0.268 379 N C -1.327 174.182 175.510 -0.003 0.000 1.184 379 N CA -0.237 52.786 53.050 -0.046 0.000 0.875 379 N CB 2.285 40.691 38.487 -0.134 0.000 1.630 379 N HN 0.480 nan 8.380 nan 0.000 0.486 380 T N 1.428 116.001 114.554 0.033 0.000 2.932 380 T HA 0.224 4.574 4.350 -0.000 0.000 0.312 380 T C 1.132 175.876 174.700 0.075 0.000 1.071 380 T CA 0.094 62.203 62.100 0.016 0.000 1.128 380 T CB 1.347 70.156 68.868 -0.099 0.000 0.984 380 T HN 0.627 nan 8.240 nan 0.000 0.549 381 A N 2.933 125.760 122.820 0.011 0.000 1.909 381 A HA 0.604 4.924 4.320 -0.000 0.000 0.210 381 A C 0.459 178.064 177.584 0.034 0.000 1.273 381 A CA 0.302 52.346 52.037 0.012 0.000 0.654 381 A CB 0.119 19.092 19.000 -0.046 0.000 0.945 381 A HN 0.657 nan 8.150 nan 0.000 0.471 382 L N -2.035 119.162 121.223 -0.044 0.000 2.556 382 L HA 0.654 4.994 4.340 -0.000 0.000 0.257 382 L C -1.800 175.036 176.870 -0.057 0.000 0.955 382 L CA -0.655 54.133 54.840 -0.085 0.000 0.850 382 L CB 2.141 44.185 42.059 -0.025 0.000 1.398 382 L HN 0.324 nan 8.230 nan 0.000 0.412 383 A N 1.291 124.066 122.820 -0.075 0.000 2.398 383 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 383 A C -0.653 176.944 177.584 0.023 0.000 1.041 383 A CA -0.246 51.812 52.037 0.035 0.000 0.711 383 A CB 1.795 20.825 19.000 0.051 0.000 1.240 383 A HN 0.604 nan 8.150 nan 0.000 0.420 384 T N 0.029 114.650 114.554 0.110 0.000 2.918 384 T HA 0.753 5.103 4.350 -0.000 0.000 0.286 384 T C -2.322 172.432 174.700 0.090 0.000 1.026 384 T CA -1.765 60.362 62.100 0.044 0.000 1.031 384 T CB 1.994 70.898 68.868 0.059 0.000 1.046 384 T HN 0.333 nan 8.240 nan 0.000 0.479 385 P HA 0.210 nan 4.420 nan 0.000 0.261 385 P C 1.120 178.273 177.300 -0.245 0.000 1.268 385 P CA -0.275 62.689 63.100 -0.227 0.000 0.833 385 P CB 0.289 31.676 31.700 -0.521 0.000 1.231 386 R N 0.575 120.928 120.500 -0.245 0.000 2.083 386 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 386 R C 2.013 178.169 176.300 -0.240 0.000 1.137 386 R CA 1.345 57.289 56.100 -0.260 0.000 0.951 386 R CB -0.942 29.203 30.300 -0.258 0.000 0.851 386 R HN 0.019 nan 8.270 nan 0.000 0.434 387 I N 1.128 121.578 120.570 -0.201 0.000 2.530 387 I HA -0.230 3.940 4.170 -0.000 0.000 0.257 387 I C 1.717 177.713 176.117 -0.201 0.000 1.179 387 I CA 1.273 62.463 61.300 -0.184 0.000 1.440 387 I CB 0.001 37.905 38.000 -0.160 0.000 1.087 387 I HN 0.270 nan 8.210 nan 0.000 0.440 388 L N -0.543 120.555 121.223 -0.208 0.000 2.179 388 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 388 L C 2.597 179.357 176.870 -0.183 0.000 1.096 388 L CA 0.954 55.684 54.840 -0.183 0.000 0.779 388 L CB -0.777 41.200 42.059 -0.137 0.000 0.922 388 L HN 0.265 nan 8.230 nan 0.000 0.443 389 A N 0.495 123.139 122.820 -0.293 0.000 1.902 389 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 389 A C 2.322 179.724 177.584 -0.304 0.000 1.181 389 A CA 1.654 53.414 52.037 -0.460 0.000 0.623 389 A CB -0.277 18.143 19.000 -0.965 0.000 0.818 389 A HN 0.319 nan 8.150 nan 0.000 0.443 390 M N -0.436 119.010 119.600 -0.257 0.000 2.099 390 M HA 0.011 4.491 4.480 -0.000 0.000 0.262 390 M C 2.169 178.351 176.300 -0.197 0.000 1.067 390 M CA 1.245 56.424 55.300 -0.201 0.000 1.124 390 M CB -1.729 30.777 32.600 -0.156 0.000 1.353 390 M HN 0.310 nan 8.290 nan 0.000 0.410 391 L N 0.564 121.665 121.223 -0.202 0.000 2.013 391 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 391 L C 2.657 179.437 176.870 -0.150 0.000 1.073 391 L CA 1.231 55.924 54.840 -0.245 0.000 0.753 391 L CB -0.721 41.270 42.059 -0.113 0.000 0.890 391 L HN 0.260 nan 8.230 nan 0.000 0.432 392 L N -1.050 120.156 121.223 -0.028 0.000 2.056 392 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 392 L C 2.484 179.394 176.870 0.067 0.000 1.078 392 L CA 1.294 56.178 54.840 0.073 0.000 0.749 392 L CB -0.531 41.595 42.059 0.112 0.000 0.901 392 L HN 0.286 nan 8.230 nan 0.000 0.433 393 E N 0.023 120.229 120.200 0.010 0.000 2.046 393 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 393 E C 2.000 178.673 176.600 0.121 0.000 0.982 393 E CA 0.779 57.197 56.400 0.030 0.000 0.800 393 E CB -0.032 29.652 29.700 -0.026 0.000 0.756 393 E HN 0.428 nan 8.360 nan 0.000 0.449 394 N N 0.304 119.030 118.700 0.043 0.000 2.223 394 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 394 N C 0.988 176.654 175.510 0.259 0.000 1.016 394 N CA 0.958 54.080 53.050 0.120 0.000 0.863 394 N CB 0.013 38.454 38.487 -0.076 0.000 0.983 394 N HN 0.255 nan 8.380 nan 0.000 0.429 395 H N 0.799 119.992 119.070 0.205 0.000 2.505 395 H HA 0.116 4.672 4.556 -0.000 0.000 0.289 395 H C 0.317 175.783 175.328 0.230 0.000 1.052 395 H CA -0.227 55.944 56.048 0.205 0.000 1.156 395 H CB -0.210 29.636 29.762 0.139 0.000 1.507 395 H HN 0.442 nan 8.280 nan 0.000 0.548 396 Q N 0.655 120.655 119.800 0.335 0.000 2.395 396 Q HA 0.272 4.612 4.340 -0.000 0.000 0.271 396 Q C -0.522 175.660 176.000 0.304 0.000 1.026 396 Q CA 0.075 56.023 55.803 0.242 0.000 0.900 396 Q CB 1.349 30.160 28.738 0.121 0.000 1.266 396 Q HN 0.207 nan 8.270 nan 0.000 0.430 397 L N 1.232 122.522 121.223 0.112 0.000 2.376 397 L HA 0.153 4.493 4.340 -0.000 0.000 0.267 397 L C 1.514 178.098 176.870 -0.477 0.000 1.035 397 L CA -0.689 54.171 54.840 0.033 0.000 0.800 397 L CB 0.655 42.722 42.059 0.014 0.000 1.290 397 L HN 0.788 nan 8.230 nan 0.000 0.462 398 Q N 0.950 120.415 119.800 -0.560 0.000 2.096 398 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 398 Q C 0.901 176.511 176.000 -0.649 0.000 0.993 398 Q CA 2.435 57.689 55.803 -0.916 0.000 0.862 398 Q CB -0.069 28.506 28.738 -0.272 0.000 0.915 398 Q HN 0.754 nan 8.270 nan 0.000 0.416 399 D N -2.261 117.930 120.400 -0.348 0.000 2.325 399 D HA 0.147 4.787 4.640 -0.000 0.000 0.234 399 D C 0.993 177.162 176.300 -0.218 0.000 1.122 399 D CA 0.638 54.497 54.000 -0.234 0.000 0.850 399 D CB -0.216 40.499 40.800 -0.141 0.000 0.921 399 D HN 0.438 nan 8.370 nan 0.000 0.513 400 G N 0.103 108.748 108.800 -0.257 0.000 2.212 400 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.266 400 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.266 400 G C 0.536 175.367 174.900 -0.115 0.000 0.978 400 G CA 0.181 45.167 45.100 -0.190 0.000 0.632 400 G HN 0.490 nan 8.290 nan 0.000 0.537 401 R N -0.537 119.924 120.500 -0.065 0.000 2.649 401 R HA 0.579 4.919 4.340 -0.000 0.000 0.270 401 R C 0.020 176.406 176.300 0.143 0.000 1.105 401 R CA -0.221 55.915 56.100 0.060 0.000 1.193 401 R CB 1.056 31.388 30.300 0.054 0.000 1.120 401 R HN 0.105 nan 8.270 nan 0.000 0.561 402 V N 1.733 121.795 119.914 0.247 0.000 2.715 402 V HA 0.378 4.497 4.120 -0.000 0.000 0.310 402 V C -0.003 176.157 176.094 0.110 0.000 1.054 402 V CA -0.912 61.509 62.300 0.201 0.000 0.928 402 V CB 1.768 33.734 31.823 0.238 0.000 1.007 402 V HN 0.778 nan 8.190 nan 0.000 0.437 403 R N 2.437 122.998 120.500 0.102 0.000 2.549 403 R HA 0.814 5.154 4.340 -0.000 0.000 0.267 403 R C -1.299 174.982 176.300 -0.032 0.000 1.045 403 R CA -0.692 55.417 56.100 0.016 0.000 1.115 403 R CB 1.265 31.566 30.300 0.001 0.000 1.121 403 R HN 0.339 nan 8.270 nan 0.000 0.543 404 V N 2.780 122.644 119.914 -0.084 0.000 2.398 404 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 404 V C -1.908 174.134 176.094 -0.086 0.000 1.026 404 V CA -2.288 59.961 62.300 -0.085 0.000 0.868 404 V CB 1.550 33.289 31.823 -0.139 0.000 0.982 404 V HN 0.837 nan 8.190 nan 0.000 0.443 405 P HA 0.020 nan 4.420 nan 0.000 0.266 405 P C 0.577 177.839 177.300 -0.064 0.000 1.195 405 P CA 0.039 63.069 63.100 -0.118 0.000 0.768 405 P CB 0.766 32.419 31.700 -0.078 0.000 0.838 406 Q N 2.495 122.266 119.800 -0.048 0.000 2.156 406 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 406 Q C 2.072 178.079 176.000 0.011 0.000 0.995 406 Q CA 2.565 58.359 55.803 -0.014 0.000 0.877 406 Q CB -0.972 27.765 28.738 -0.002 0.000 0.920 406 Q HN 0.661 nan 8.270 nan 0.000 0.416 407 A N -0.246 122.575 122.820 0.002 0.000 2.125 407 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 407 A C 1.921 179.533 177.584 0.048 0.000 1.156 407 A CA 0.973 53.032 52.037 0.037 0.000 0.671 407 A CB -0.214 18.784 19.000 -0.004 0.000 0.794 407 A HN 0.289 nan 8.150 nan 0.000 0.459 408 L N -1.303 119.913 121.223 -0.012 0.000 2.664 408 L HA 0.285 4.625 4.340 -0.000 0.000 0.233 408 L C 1.836 178.798 176.870 0.153 0.000 1.113 408 L CA 0.120 55.014 54.840 0.090 0.000 0.896 408 L CB 0.028 42.069 42.059 -0.031 0.000 1.163 408 L HN 0.302 nan 8.230 nan 0.000 0.497 409 I N 0.584 121.195 120.570 0.068 0.000 2.151 409 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 409 I C -0.388 175.749 176.117 0.034 0.000 1.080 409 I CA 1.566 62.885 61.300 0.031 0.000 1.339 409 I CB -1.174 36.830 38.000 0.005 0.000 1.039 409 I HN 0.226 nan 8.210 nan 0.000 0.409 410 P HA -0.241 nan 4.420 nan 0.000 0.216 410 P C 1.360 178.592 177.300 -0.113 0.000 1.167 410 P CA 1.919 64.954 63.100 -0.109 0.000 0.933 410 P CB -0.191 31.356 31.700 -0.255 0.000 0.793 411 Y N -2.624 117.702 120.300 0.043 0.000 2.421 411 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 411 Y C 2.382 178.305 175.900 0.038 0.000 1.136 411 Y CA 0.708 58.841 58.100 0.055 0.000 1.255 411 Y CB -0.582 37.932 38.460 0.089 0.000 0.991 411 Y HN -0.045 nan 8.280 nan 0.000 0.552 412 M N -1.952 117.743 119.600 0.160 0.000 2.545 412 M HA 0.279 4.759 4.480 -0.000 0.000 0.264 412 M C 2.035 178.344 176.300 0.016 0.000 1.155 412 M CA 1.156 56.496 55.300 0.066 0.000 1.162 412 M CB -0.656 31.944 32.600 -0.000 0.000 1.330 412 M HN 0.374 nan 8.290 nan 0.000 0.479 413 G N 2.014 110.817 108.800 0.006 0.000 2.234 413 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 413 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 413 G C 0.280 175.170 174.900 -0.016 0.000 0.987 413 G CA 1.015 46.110 45.100 -0.008 0.000 0.625 413 G HN 0.512 nan 8.290 nan 0.000 0.532 414 K N -0.798 119.585 120.400 -0.028 0.000 2.444 414 K HA 0.825 5.145 4.320 -0.000 0.000 0.252 414 K C 0.264 176.835 176.600 -0.048 0.000 0.993 414 K CA -0.732 55.535 56.287 -0.034 0.000 0.847 414 K CB 1.532 34.010 32.500 -0.036 0.000 1.340 414 K HN -0.064 nan 8.250 nan 0.000 0.446 415 E N 0.044 120.221 120.200 -0.040 0.000 2.276 415 E HA 0.104 4.454 4.350 -0.000 0.000 0.193 415 E C -0.255 176.313 176.600 -0.054 0.000 0.983 415 E CA 0.183 56.557 56.400 -0.043 0.000 0.861 415 E CB 0.615 30.300 29.700 -0.025 0.000 0.817 415 E HN 0.295 nan 8.360 nan 0.000 0.485 416 V N 1.475 121.362 119.914 -0.045 0.000 2.709 416 V HA 0.287 4.407 4.120 -0.000 0.000 0.308 416 V C -0.723 175.354 176.094 -0.029 0.000 1.062 416 V CA -0.851 61.434 62.300 -0.025 0.000 0.901 416 V CB 2.054 33.883 31.823 0.010 0.000 1.003 416 V HN 0.087 nan 8.190 nan 0.000 0.425 417 L N 3.416 124.624 121.223 -0.024 0.000 2.313 417 L HA 0.457 4.797 4.340 -0.000 0.000 0.282 417 L C 0.148 177.179 176.870 0.267 0.000 1.092 417 L CA -0.302 54.542 54.840 0.006 0.000 0.831 417 L CB 0.956 42.905 42.059 -0.184 0.000 1.159 417 L HN 0.619 nan 8.230 nan 0.000 0.442 418 E N 4.755 125.099 120.200 0.240 0.000 2.319 418 E HA 0.331 4.681 4.350 -0.000 0.000 0.268 418 E C -2.264 174.559 176.600 0.371 0.000 1.050 418 E CA -1.476 55.063 56.400 0.233 0.000 0.878 418 E CB 0.911 30.687 29.700 0.126 0.000 1.066 418 E HN 0.276 nan 8.360 nan 0.000 0.406 419 P HA 0.111 nan 4.420 nan 0.000 0.274 419 P C -0.544 176.788 177.300 0.054 0.000 1.246 419 P CA -0.318 62.744 63.100 -0.064 0.000 0.795 419 P CB 0.762 32.361 31.700 -0.168 0.000 1.006 420 C N -0.214 119.087 119.300 0.002 0.000 4.108 420 C HA 0.932 5.392 4.460 -0.000 0.000 0.310 420 C C 0.126 175.128 174.990 0.020 0.000 4.671 420 C CA 0.130 59.193 59.018 0.076 0.000 1.621 420 C CB 1.104 28.960 27.740 0.194 0.000 5.418 420 C HN 0.687 nan 8.230 nan 0.000 0.531 421 G N 0.000 108.828 108.800 0.046 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.117 45.100 0.028 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925