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 3ckp_1_C DATA FIRST_RESID -5 DATA SEQUENCE KGSFVXEMVD NLRGKSGQGY YVEMTVGSPP QTLNILVDTG SSNFAVGAAP DATA SEQUENCE HPFLHRYYQR QLSSTYRDLR KGVYVPYTQG KWEGELGTDL VSIPHGPNVT DATA SEQUENCE VRANIAAITE SDKFFINGSN WEGILGLAYA EIARPDDSLE PFFDSLVKQT DATA SEQUENCE HVPNLFSLQL cGXXXXXXXX XXXXSVGGSM IIGGIDHSLY TGSLWYTPIR DATA SEQUENCE REWYYEVIIV RVEINGQDLK MDcKEYNYDK SIVDSGTTNL RLPKKVFEAA DATA SEQUENCE VKSIKAASST EKFPDGFWLG EQLVcWQAGT TPWNIFPVIS LYLMGEVTNQ DATA SEQUENCE SFRITILPQQ YLRPVEXXAT SQDDcYKFAI SQSSTGTVMG AVIMEGFYVV DATA SEQUENCE FDRARKRIGF AVSAcHVHDE FRTAAVEGPF VTLDMEDcGY NI 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 -5 K HA 0.000 nan 4.320 nan 0.000 0.191 -5 K C 0.000 176.652 176.600 0.087 0.000 0.988 -5 K CA 0.000 56.292 56.287 0.009 0.000 0.838 -5 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 -4 G N -0.091 108.743 108.800 0.057 0.000 4.406 -4 G HA2 0.101 4.061 3.960 -0.001 0.000 0.212 -4 G HA3 0.101 4.061 3.960 -0.001 0.000 0.212 -4 G C -1.128 173.898 174.900 0.211 0.000 0.941 -4 G CA 0.354 45.593 45.100 0.231 0.000 0.821 -4 G HN 0.339 nan 8.290 nan 0.000 0.429 -3 S N 0.771 116.440 115.700 -0.051 0.000 2.399 -3 S HA 0.578 5.048 4.470 -0.001 0.000 0.215 -3 S C -0.946 173.551 174.600 -0.173 0.000 1.456 -3 S CA -0.551 57.636 58.200 -0.021 0.000 1.199 -3 S CB -0.358 62.816 63.200 -0.042 0.000 1.063 -3 S HN 0.143 nan 8.310 nan 0.000 0.476 -2 F N 4.784 124.778 119.950 0.074 0.000 2.509 -2 F HA 0.263 4.790 4.527 -0.000 0.000 0.344 -2 F C 1.002 176.842 175.800 0.067 0.000 1.197 -2 F CA -0.864 57.182 58.000 0.076 0.000 1.294 -2 F CB -0.360 38.699 39.000 0.098 0.000 1.643 -2 F HN 0.337 nan 8.300 nan 0.000 0.596 2 M N 1.098 120.817 119.600 0.198 0.000 2.510 2 M HA 0.167 4.646 4.480 -0.001 0.000 0.256 2 M C 0.668 177.040 176.300 0.120 0.000 1.132 2 M CA 0.245 55.649 55.300 0.174 0.000 1.105 2 M CB 0.885 33.598 32.600 0.188 0.000 1.375 2 M HN -0.219 nan 8.290 nan 0.000 0.477 3 V N 2.593 122.578 119.914 0.118 0.000 2.599 3 V HA -0.102 4.017 4.120 -0.001 0.000 0.300 3 V C 0.583 176.690 176.094 0.023 0.000 1.034 3 V CA 0.953 63.299 62.300 0.077 0.000 1.115 3 V CB 0.508 32.376 31.823 0.075 0.000 0.934 3 V HN 0.583 nan 8.190 nan 0.000 0.485 4 D N 3.337 123.744 120.400 0.011 0.000 3.017 4 D HA -0.172 4.468 4.640 -0.001 0.000 0.220 4 D C 0.895 177.159 176.300 -0.059 0.000 1.141 4 D CA 1.098 55.085 54.000 -0.022 0.000 0.848 4 D CB -1.072 39.706 40.800 -0.035 0.000 1.102 4 D HN 0.861 nan 8.370 nan 0.000 0.427 5 N N 0.017 118.697 118.700 -0.033 0.000 2.461 5 N HA 0.045 4.785 4.740 -0.001 0.000 0.188 5 N C 0.584 176.094 175.510 -0.000 0.000 1.134 5 N CA 0.241 53.269 53.050 -0.037 0.000 0.878 5 N CB -0.042 38.474 38.487 0.048 0.000 0.972 5 N HN 0.402 nan 8.380 nan 0.000 0.456 6 L N -0.069 121.149 121.223 -0.010 0.000 2.334 6 L HA 0.584 4.924 4.340 -0.001 0.000 0.273 6 L C 0.391 177.208 176.870 -0.089 0.000 1.013 6 L CA -0.877 53.950 54.840 -0.020 0.000 0.816 6 L CB 1.570 43.646 42.059 0.029 0.000 1.278 6 L HN -0.037 nan 8.230 nan 0.000 0.431 7 R N 0.550 120.860 120.500 -0.317 0.000 2.870 7 R HA 0.877 5.217 4.340 -0.001 0.000 0.262 7 R C -0.638 175.114 176.300 -0.914 0.000 1.112 7 R CA -0.670 55.133 56.100 -0.494 0.000 0.976 7 R CB 1.921 31.974 30.300 -0.412 0.000 1.261 7 R HN 0.831 nan 8.270 nan 0.000 0.453 8 G N 0.392 108.783 108.800 -0.682 0.000 2.341 8 G HA2 0.204 4.164 3.960 -0.001 0.000 0.293 8 G HA3 0.204 4.164 3.960 -0.001 0.000 0.293 8 G C -1.800 172.992 174.900 -0.180 0.000 1.298 8 G CA -0.830 43.997 45.100 -0.455 0.000 0.868 8 G HN 0.243 nan 8.290 nan 0.000 0.540 9 K N 0.089 120.441 120.400 -0.081 0.000 2.378 9 K HA 0.648 4.968 4.320 -0.001 0.000 0.252 9 K C 0.189 176.730 176.600 -0.098 0.000 0.931 9 K CA -0.547 55.707 56.287 -0.055 0.000 0.794 9 K CB 2.058 34.575 32.500 0.029 0.000 1.181 9 K HN 0.653 nan 8.250 nan 0.000 0.425 10 S N 1.231 116.874 115.700 -0.095 0.000 2.810 10 S HA 0.026 4.496 4.470 -0.001 0.000 0.329 10 S C 1.295 175.869 174.600 -0.044 0.000 1.231 10 S CA 1.762 59.915 58.200 -0.079 0.000 1.042 10 S CB -0.507 62.669 63.200 -0.041 0.000 0.756 10 S HN 0.885 nan 8.310 nan 0.000 0.504 11 G N 4.134 112.910 108.800 -0.041 0.000 2.220 11 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.269 11 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.269 11 G C 0.393 175.304 174.900 0.019 0.000 0.977 11 G CA 0.760 45.859 45.100 -0.002 0.000 0.634 11 G HN 0.747 nan 8.290 nan 0.000 0.539 12 Q N 0.219 120.033 119.800 0.023 0.000 2.186 12 Q HA 0.481 4.821 4.340 -0.001 0.000 0.241 12 Q C 1.099 177.183 176.000 0.141 0.000 0.849 12 Q CA 0.198 56.084 55.803 0.139 0.000 1.053 12 Q CB 0.751 29.601 28.738 0.186 0.000 1.146 12 Q HN 1.571 nan 8.270 nan 0.000 0.475 13 G N 0.657 109.429 108.800 -0.046 0.000 2.856 13 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.674 13 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.674 13 G C -1.070 173.688 174.900 -0.236 0.000 1.519 13 G CA -0.805 44.213 45.100 -0.136 0.000 0.940 13 G HN 0.289 nan 8.290 nan 0.000 0.564 14 Y N 0.712 120.909 120.300 -0.172 0.000 2.341 14 Y HA 0.570 5.120 4.550 -0.001 0.000 0.340 14 Y C 0.794 176.574 175.900 -0.201 0.000 0.997 14 Y CA -0.194 57.776 58.100 -0.218 0.000 1.149 14 Y CB 1.045 39.408 38.460 -0.162 0.000 1.171 14 Y HN 0.710 nan 8.280 nan 0.000 0.494 15 Y N 0.961 121.263 120.300 0.003 0.000 2.487 15 Y HA 0.812 5.362 4.550 -0.001 0.000 0.337 15 Y C -1.240 174.673 175.900 0.023 0.000 1.076 15 Y CA -2.010 56.071 58.100 -0.032 0.000 1.115 15 Y CB 0.758 39.230 38.460 0.021 0.000 1.235 15 Y HN 0.366 nan 8.280 nan 0.000 0.468 16 V N 1.707 121.770 119.914 0.248 0.000 2.864 16 V HA 0.419 4.539 4.120 -0.001 0.000 0.314 16 V C -0.848 175.359 176.094 0.188 0.000 1.073 16 V CA -0.939 61.465 62.300 0.173 0.000 0.956 16 V CB 1.812 33.664 31.823 0.048 0.000 1.023 16 V HN 0.987 nan 8.190 nan 0.000 0.435 17 E N 5.430 125.743 120.200 0.187 0.000 2.229 17 E HA 0.510 4.859 4.350 -0.001 0.000 0.283 17 E C -0.843 175.809 176.600 0.086 0.000 1.030 17 E CA -0.297 56.194 56.400 0.151 0.000 0.836 17 E CB 0.887 30.700 29.700 0.187 0.000 1.068 17 E HN 0.690 nan 8.360 nan 0.000 0.401 18 M N 2.668 122.300 119.600 0.053 0.000 2.572 18 M HA 0.359 4.838 4.480 -0.001 0.000 0.299 18 M C -0.769 175.548 176.300 0.029 0.000 1.205 18 M CA -0.978 54.337 55.300 0.025 0.000 0.876 18 M CB 2.503 35.101 32.600 -0.003 0.000 1.728 18 M HN 0.531 nan 8.290 nan 0.000 0.458 19 T N -0.173 114.396 114.554 0.025 0.000 2.863 19 T HA 0.818 5.167 4.350 -0.001 0.000 0.285 19 T C -0.605 174.100 174.700 0.009 0.000 1.009 19 T CA -0.841 61.268 62.100 0.014 0.000 0.989 19 T CB 1.626 70.503 68.868 0.014 0.000 1.004 19 T HN 0.706 nan 8.240 nan 0.000 0.455 20 V N -1.267 118.632 119.914 -0.025 0.000 2.888 20 V HA 0.991 5.111 4.120 -0.001 0.000 0.309 20 V C 0.254 176.356 176.094 0.013 0.000 1.114 20 V CA 0.175 62.444 62.300 -0.052 0.000 0.940 20 V CB 0.835 32.512 31.823 -0.244 0.000 1.021 20 V HN 2.037 nan 8.190 nan 0.000 0.426 21 G N 3.070 111.911 108.800 0.067 0.000 2.710 21 G HA2 0.241 4.200 3.960 -0.001 0.000 0.668 21 G HA3 0.241 4.200 3.960 -0.001 0.000 0.668 21 G C -0.454 174.497 174.900 0.084 0.000 1.320 21 G CA -0.330 44.847 45.100 0.130 0.000 0.860 21 G HN 2.027 nan 8.290 nan 0.000 0.538 22 S N 2.002 117.751 115.700 0.081 0.000 2.733 22 S HA 0.711 5.181 4.470 -0.001 0.000 0.294 22 S C -2.358 172.265 174.600 0.039 0.000 1.149 22 S CA -0.628 57.603 58.200 0.051 0.000 1.034 22 S CB 2.799 66.028 63.200 0.048 0.000 1.015 22 S HN 0.844 nan 8.310 nan 0.000 0.486 23 P HA 0.264 nan 4.420 nan 0.000 0.272 23 P C -2.880 174.436 177.300 0.027 0.000 1.223 23 P CA -1.446 61.666 63.100 0.020 0.000 0.784 23 P CB -0.801 30.905 31.700 0.009 0.000 0.923 24 P HA 0.020 nan 4.420 nan 0.000 0.261 24 P C -0.282 177.030 177.300 0.020 0.000 1.173 24 P CA 0.844 63.959 63.100 0.025 0.000 0.760 24 P CB 0.148 31.858 31.700 0.016 0.000 0.783 25 Q N 1.569 121.385 119.800 0.027 0.000 2.293 25 Q HA 0.342 4.682 4.340 -0.001 0.000 0.261 25 Q C -0.328 175.675 176.000 0.004 0.000 0.960 25 Q CA -0.430 55.385 55.803 0.020 0.000 0.882 25 Q CB 1.418 30.194 28.738 0.064 0.000 1.275 25 Q HN 0.345 nan 8.270 nan 0.000 0.445 26 T N 3.661 118.216 114.554 0.001 0.000 2.799 26 T HA 0.610 4.960 4.350 -0.001 0.000 0.286 26 T C -0.383 174.322 174.700 0.009 0.000 0.973 26 T CA -0.344 61.760 62.100 0.007 0.000 1.035 26 T CB 0.380 69.254 68.868 0.011 0.000 0.932 26 T HN 0.326 nan 8.240 nan 0.000 0.469 27 L N 3.156 124.391 121.223 0.020 0.000 2.466 27 L HA 0.464 4.804 4.340 -0.001 0.000 0.258 27 L C -0.247 176.651 176.870 0.047 0.000 0.973 27 L CA -0.982 53.877 54.840 0.031 0.000 0.826 27 L CB 2.404 44.486 42.059 0.038 0.000 1.372 27 L HN 0.546 nan 8.230 nan 0.000 0.409 28 N N 2.446 121.162 118.700 0.027 0.000 2.444 28 N HA 0.506 5.245 4.740 -0.001 0.000 0.271 28 N C -1.104 174.466 175.510 0.100 0.000 1.069 28 N CA -0.560 52.497 53.050 0.011 0.000 0.965 28 N CB 1.222 39.543 38.487 -0.277 0.000 1.092 28 N HN 0.243 nan 8.380 nan 0.000 0.476 29 I N 2.923 123.567 120.570 0.124 0.000 2.433 29 I HA 0.236 4.406 4.170 -0.001 0.000 0.292 29 I C -0.098 176.034 176.117 0.025 0.000 1.001 29 I CA -0.858 60.497 61.300 0.091 0.000 1.119 29 I CB 1.442 39.437 38.000 -0.008 0.000 1.289 29 I HN 0.420 nan 8.210 nan 0.000 0.438 30 L N 7.230 128.371 121.223 -0.136 0.000 2.418 30 L HA 0.241 4.581 4.340 -0.001 0.000 0.274 30 L C -0.211 176.511 176.870 -0.245 0.000 1.135 30 L CA 0.098 54.727 54.840 -0.353 0.000 0.870 30 L CB 0.750 42.250 42.059 -0.931 0.000 1.154 30 L HN 0.333 nan 8.230 nan 0.000 0.462 31 V N 4.888 124.698 119.914 -0.174 0.000 2.470 31 V HA 0.213 4.332 4.120 -0.001 0.000 0.276 31 V C -0.242 175.757 176.094 -0.159 0.000 1.040 31 V CA -0.145 62.052 62.300 -0.171 0.000 1.008 31 V CB 1.014 32.757 31.823 -0.133 0.000 0.990 31 V HN 0.810 nan 8.190 nan 0.000 0.477 32 D N 2.872 123.179 120.400 -0.155 0.000 2.476 32 D HA 0.230 4.869 4.640 -0.001 0.000 0.251 32 D C 0.927 177.207 176.300 -0.033 0.000 1.291 32 D CA -0.109 53.835 54.000 -0.093 0.000 0.939 32 D CB 1.790 42.529 40.800 -0.102 0.000 1.221 32 D HN 0.586 nan 8.370 nan 0.000 0.567 33 T N 0.142 114.711 114.554 0.025 0.000 3.160 33 T HA 0.154 4.504 4.350 -0.001 0.000 0.257 33 T C 1.316 176.192 174.700 0.293 0.000 1.147 33 T CA 0.354 62.571 62.100 0.196 0.000 1.064 33 T CB 0.104 69.065 68.868 0.155 0.000 0.949 33 T HN 0.315 nan 8.240 nan 0.000 0.526 34 G N 0.827 109.730 108.800 0.172 0.000 3.805 34 G HA2 0.494 4.453 3.960 -0.001 0.000 0.290 34 G HA3 0.494 4.453 3.960 -0.001 0.000 0.290 34 G C -0.037 174.961 174.900 0.164 0.000 1.077 34 G CA -0.005 45.216 45.100 0.202 0.000 0.852 34 G HN 0.809 nan 8.290 nan 0.000 0.531 35 S N -2.132 113.623 115.700 0.093 0.000 2.587 35 S HA 0.554 5.023 4.470 -0.001 0.000 0.269 35 S C -0.132 174.504 174.600 0.061 0.000 1.154 35 S CA -0.358 57.903 58.200 0.102 0.000 0.824 35 S CB 1.581 64.920 63.200 0.232 0.000 1.118 35 S HN -0.048 nan 8.310 nan 0.000 0.462 36 S N 0.564 116.309 115.700 0.074 0.000 2.730 36 S HA 0.372 4.841 4.470 -0.001 0.000 0.244 36 S C -0.295 174.395 174.600 0.150 0.000 1.022 36 S CA -0.396 57.848 58.200 0.075 0.000 1.014 36 S CB -0.357 62.865 63.200 0.036 0.000 0.963 36 S HN 0.675 nan 8.310 nan 0.000 0.540 37 N N 1.331 120.167 118.700 0.226 0.000 2.473 37 N HA 0.418 5.158 4.740 -0.001 0.000 0.291 37 N C -1.277 174.451 175.510 0.364 0.000 1.083 37 N CA -0.333 52.905 53.050 0.314 0.000 0.951 37 N CB 0.839 39.584 38.487 0.431 0.000 1.164 37 N HN 0.275 nan 8.380 nan 0.000 0.480 38 F N 1.779 121.815 119.950 0.144 0.000 2.404 38 F HA 0.691 5.217 4.527 -0.001 0.000 0.354 38 F C -0.608 175.208 175.800 0.027 0.000 1.122 38 F CA -0.767 57.275 58.000 0.070 0.000 1.080 38 F CB 0.542 39.576 39.000 0.058 0.000 1.131 38 F HN 0.464 nan 8.300 nan 0.000 0.471 39 A N 6.135 129.203 122.820 0.413 0.000 2.517 39 A HA 0.639 4.959 4.320 -0.001 0.000 0.297 39 A C -1.611 175.987 177.584 0.023 0.000 1.050 39 A CA -0.551 51.451 52.037 -0.058 0.000 0.694 39 A CB 1.499 20.197 19.000 -0.504 0.000 1.277 39 A HN 0.863 nan 8.150 nan 0.000 0.400 40 V N -0.211 119.667 119.914 -0.061 0.000 3.001 40 V HA 0.977 5.097 4.120 -0.001 0.000 0.314 40 V C 0.457 176.639 176.094 0.147 0.000 1.099 40 V CA -0.259 62.106 62.300 0.109 0.000 0.989 40 V CB 1.462 33.297 31.823 0.020 0.000 1.040 40 V HN 1.746 nan 8.190 nan 0.000 0.434 41 G N 1.108 110.074 108.800 0.277 0.000 2.365 41 G HA2 0.542 4.501 3.960 -0.001 0.000 0.249 41 G HA3 0.542 4.501 3.960 -0.001 0.000 0.249 41 G C 0.312 175.329 174.900 0.195 0.000 1.288 41 G CA 0.059 45.281 45.100 0.204 0.000 0.887 41 G HN 1.920 nan 8.290 nan 0.000 0.524 42 A N 1.262 124.167 122.820 0.141 0.000 2.812 42 A HA 0.794 5.114 4.320 -0.001 0.000 0.294 42 A C 0.399 177.969 177.584 -0.023 0.000 1.014 42 A CA 0.443 52.593 52.037 0.189 0.000 1.024 42 A CB -0.051 19.023 19.000 0.123 0.000 1.162 42 A HN 2.097 nan 8.150 nan 0.000 0.511 43 A N 0.599 123.189 122.820 -0.384 0.000 2.585 43 A HA 0.673 4.993 4.320 -0.001 0.000 0.299 43 A C -3.324 173.736 177.584 -0.873 0.000 1.047 43 A CA -0.989 50.642 52.037 -0.676 0.000 0.723 43 A CB 0.616 19.466 19.000 -0.251 0.000 1.275 43 A HN 0.131 nan 8.150 nan 0.000 0.408 44 P HA 0.146 nan 4.420 nan 0.000 0.262 44 P C -0.910 176.255 177.300 -0.226 0.000 1.182 44 P CA 0.803 63.604 63.100 -0.500 0.000 0.761 44 P CB 0.257 31.788 31.700 -0.282 0.000 0.795 45 H N 3.796 122.704 119.070 -0.271 0.000 2.954 45 H HA 0.248 4.804 4.556 -0.001 0.000 0.361 45 H C -2.136 173.064 175.328 -0.213 0.000 1.122 45 H CA -1.812 54.102 56.048 -0.223 0.000 1.217 45 H CB 2.091 31.720 29.762 -0.222 0.000 1.776 45 H HN 0.054 nan 8.280 nan 0.000 0.533 46 P HA -0.096 nan 4.420 nan 0.000 0.218 46 P C 0.659 178.010 177.300 0.086 0.000 1.146 46 P CA 1.466 64.430 63.100 -0.225 0.000 0.820 46 P CB -0.034 31.335 31.700 -0.552 0.000 0.778 47 F N -2.094 118.023 119.950 0.278 0.000 2.639 47 F HA 0.231 4.758 4.527 -0.001 0.000 0.302 47 F C 0.627 176.192 175.800 -0.392 0.000 1.097 47 F CA -0.600 57.356 58.000 -0.074 0.000 1.294 47 F CB 0.446 39.432 39.000 -0.023 0.000 1.027 47 F HN -0.244 nan 8.300 nan 0.000 0.550 48 L N 0.902 122.008 121.223 -0.195 0.000 2.319 48 L HA 0.315 4.655 4.340 -0.001 0.000 0.281 48 L C 0.898 177.628 176.870 -0.234 0.000 1.005 48 L CA -0.679 53.948 54.840 -0.354 0.000 0.828 48 L CB 1.122 42.945 42.059 -0.392 0.000 1.227 48 L HN 0.146 nan 8.230 nan 0.000 0.415 49 H N 3.130 122.172 119.070 -0.048 0.000 2.457 49 H HA 0.012 4.567 4.556 -0.001 0.000 0.294 49 H C 0.564 175.900 175.328 0.013 0.000 1.064 49 H CA 0.776 56.816 56.048 -0.013 0.000 1.330 49 H CB 0.318 30.059 29.762 -0.035 0.000 1.395 49 H HN 0.579 nan 8.280 nan 0.000 0.541 50 R N -0.989 119.574 120.500 0.105 0.000 2.810 50 R HA 0.451 4.791 4.340 -0.001 0.000 0.266 50 R C -1.665 174.719 176.300 0.141 0.000 1.061 50 R CA -1.014 55.136 56.100 0.084 0.000 0.943 50 R CB 1.953 32.266 30.300 0.020 0.000 1.237 50 R HN 0.049 nan 8.270 nan 0.000 0.459 51 Y N -2.553 117.735 120.300 -0.019 0.000 2.702 51 Y HA 0.414 4.963 4.550 -0.000 0.000 0.336 51 Y C -1.904 174.041 175.900 0.075 0.000 1.203 51 Y CA -1.656 56.442 58.100 -0.004 0.000 1.072 51 Y CB 0.540 38.972 38.460 -0.046 0.000 1.327 51 Y HN 0.625 nan 8.280 nan 0.000 0.456 52 Y N 3.020 123.357 120.300 0.063 0.000 2.526 52 Y HA 0.355 4.904 4.550 -0.001 0.000 0.330 52 Y C -0.553 175.324 175.900 -0.038 0.000 1.156 52 Y CA -0.293 57.787 58.100 -0.033 0.000 1.419 52 Y CB 0.879 39.339 38.460 -0.000 0.000 1.250 52 Y HN 0.708 nan 8.280 nan 0.000 0.540 53 Q N 6.978 126.643 119.800 -0.225 0.000 2.454 53 Q HA 0.312 4.652 4.340 -0.001 0.000 0.255 53 Q C 0.723 176.378 176.000 -0.574 0.000 1.034 53 Q CA -0.507 55.083 55.803 -0.353 0.000 0.736 53 Q CB 1.358 29.922 28.738 -0.290 0.000 1.210 53 Q HN 0.792 nan 8.270 nan 0.000 0.500 54 R N 1.099 121.067 120.500 -0.886 0.000 2.075 54 R HA -0.167 4.173 4.340 -0.001 0.000 0.232 54 R C 2.001 177.947 176.300 -0.590 0.000 1.126 54 R CA 1.291 56.767 56.100 -1.040 0.000 0.963 54 R CB 0.082 29.457 30.300 -1.541 0.000 0.858 54 R HN 0.581 nan 8.270 nan 0.000 0.435 55 Q N 0.911 120.463 119.800 -0.412 0.000 2.576 55 Q HA -0.149 4.190 4.340 -0.001 0.000 0.218 55 Q C 0.844 176.758 176.000 -0.144 0.000 0.983 55 Q CA 1.428 57.098 55.803 -0.221 0.000 0.920 55 Q CB 0.097 28.744 28.738 -0.152 0.000 0.973 55 Q HN 0.309 nan 8.270 nan 0.000 0.528 56 L N 0.219 121.346 121.223 -0.160 0.000 2.766 56 L HA 0.278 4.617 4.340 -0.001 0.000 0.242 56 L C 0.453 177.296 176.870 -0.045 0.000 1.136 56 L CA 0.097 54.884 54.840 -0.089 0.000 0.933 56 L CB 0.957 42.960 42.059 -0.092 0.000 1.241 56 L HN -0.009 nan 8.230 nan 0.000 0.522 57 S N -1.002 114.673 115.700 -0.043 0.000 2.438 57 S HA 0.240 4.709 4.470 -0.001 0.000 0.316 57 S C 1.422 176.076 174.600 0.090 0.000 1.084 57 S CA 0.060 58.291 58.200 0.051 0.000 1.107 57 S CB 0.817 64.095 63.200 0.130 0.000 0.981 57 S HN 0.361 nan 8.310 nan 0.000 0.466 58 S N 3.469 119.210 115.700 0.069 0.000 2.382 58 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 58 S C 1.715 176.366 174.600 0.086 0.000 1.027 58 S CA 1.694 59.933 58.200 0.066 0.000 0.991 58 S CB -1.261 61.964 63.200 0.043 0.000 0.823 58 S HN 0.870 nan 8.310 nan 0.000 0.469 59 T N -2.007 112.605 114.554 0.097 0.000 3.160 59 T HA 0.111 4.460 4.350 -0.001 0.000 0.257 59 T C 0.556 175.329 174.700 0.122 0.000 1.147 59 T CA -0.185 61.969 62.100 0.090 0.000 1.064 59 T CB -0.872 68.044 68.868 0.079 0.000 0.949 59 T HN 0.460 nan 8.240 nan 0.000 0.526 60 Y N 3.075 123.399 120.300 0.040 0.000 2.709 60 Y HA 0.289 4.839 4.550 -0.001 0.000 0.348 60 Y C 0.266 176.181 175.900 0.026 0.000 1.267 60 Y CA -0.650 57.476 58.100 0.043 0.000 1.486 60 Y CB 0.423 38.885 38.460 0.002 0.000 1.356 60 Y HN 0.039 nan 8.280 nan 0.000 0.639 61 R N 4.378 124.309 120.500 -0.949 0.000 2.549 61 R HA 0.112 4.452 4.340 -0.001 0.000 0.291 61 R C -1.847 173.897 176.300 -0.927 0.000 1.164 61 R CA -0.941 54.746 56.100 -0.689 0.000 0.973 61 R CB 1.055 31.182 30.300 -0.290 0.000 1.210 61 R HN 0.719 nan 8.270 nan 0.000 0.422 62 D N 2.460 122.412 120.400 -0.747 0.000 2.351 62 D HA 0.133 4.773 4.640 -0.001 0.000 0.251 62 D C 0.863 177.073 176.300 -0.149 0.000 1.137 62 D CA -0.137 53.659 54.000 -0.340 0.000 0.879 62 D CB 1.084 41.864 40.800 -0.033 0.000 1.181 62 D HN 0.459 nan 8.370 nan 0.000 0.448 63 L N 3.002 124.183 121.223 -0.070 0.000 2.567 63 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 63 L C 1.008 177.879 176.870 0.000 0.000 1.119 63 L CA -0.202 54.620 54.840 -0.031 0.000 0.871 63 L CB -0.051 42.001 42.059 -0.011 0.000 1.036 63 L HN 0.512 nan 8.230 nan 0.000 0.459 64 R N 0.886 121.397 120.500 0.018 0.000 3.641 64 R HA -0.209 4.131 4.340 -0.001 0.000 0.286 64 R C -0.146 176.174 176.300 0.033 0.000 1.153 64 R CA 0.806 56.923 56.100 0.028 0.000 0.775 64 R CB -1.546 28.764 30.300 0.016 0.000 1.215 64 R HN 0.327 nan 8.270 nan 0.000 0.474 65 K N -1.137 119.288 120.400 0.041 0.000 2.469 65 K HA 0.661 4.981 4.320 -0.001 0.000 0.254 65 K C 0.003 176.641 176.600 0.063 0.000 0.939 65 K CA -0.303 56.011 56.287 0.045 0.000 0.812 65 K CB 1.606 34.127 32.500 0.035 0.000 1.301 65 K HN 0.134 nan 8.250 nan 0.000 0.433 66 G N 0.768 109.610 108.800 0.069 0.000 2.521 66 G HA2 0.686 4.646 3.960 -0.001 0.000 0.323 66 G HA3 0.686 4.646 3.960 -0.001 0.000 0.323 66 G C -1.387 173.572 174.900 0.099 0.000 1.211 66 G CA -0.600 44.558 45.100 0.097 0.000 0.979 66 G HN 0.533 nan 8.290 nan 0.000 0.490 67 V N 0.117 120.122 119.914 0.152 0.000 2.963 67 V HA 0.548 4.667 4.120 -0.001 0.000 0.272 67 V C -2.005 174.245 176.094 0.261 0.000 1.559 67 V CA -0.938 61.433 62.300 0.118 0.000 0.959 67 V CB 1.398 33.307 31.823 0.142 0.000 1.202 67 V HN 1.244 nan 8.190 nan 0.000 0.447 68 Y N 4.480 124.777 120.300 -0.005 0.000 2.570 68 Y HA 0.948 5.498 4.550 -0.001 0.000 0.345 68 Y C -1.270 174.202 175.900 -0.714 0.000 1.014 68 Y CA -1.523 56.417 58.100 -0.267 0.000 1.063 68 Y CB 2.179 40.533 38.460 -0.176 0.000 1.272 68 Y HN 0.420 nan 8.280 nan 0.000 0.477 69 V N 3.562 122.759 119.914 -1.195 0.000 2.623 69 V HA 0.526 4.645 4.120 -0.001 0.000 0.304 69 V C -2.682 172.758 176.094 -1.090 0.000 1.054 69 V CA -1.747 59.803 62.300 -1.249 0.000 0.882 69 V CB 2.621 33.449 31.823 -1.659 0.000 1.002 69 V HN 0.757 nan 8.190 nan 0.000 0.424 70 P HA 0.485 nan 4.420 nan 0.000 0.301 70 P C -1.748 175.300 177.300 -0.421 0.000 1.348 70 P CA -0.378 62.472 63.100 -0.418 0.000 0.826 70 P CB 1.081 32.694 31.700 -0.145 0.000 0.945 71 Y N 0.348 120.624 120.300 -0.041 0.000 2.602 71 Y HA 0.275 4.825 4.550 -0.001 0.000 0.330 71 Y C 2.392 178.320 175.900 0.046 0.000 1.114 71 Y CA -0.493 57.626 58.100 0.032 0.000 1.182 71 Y CB 0.066 38.594 38.460 0.113 0.000 1.305 71 Y HN 0.246 nan 8.280 nan 0.000 0.502 72 T N 0.005 114.702 114.554 0.237 0.000 2.321 72 T HA -0.346 4.003 4.350 -0.001 0.000 0.224 72 T C 0.684 175.457 174.700 0.121 0.000 1.498 72 T CA 2.143 64.325 62.100 0.136 0.000 1.144 72 T CB -0.337 68.595 68.868 0.107 0.000 0.853 72 T HN 0.594 nan 8.240 nan 0.000 0.411 73 Q N 1.028 120.912 119.800 0.139 0.000 2.851 73 Q HA 0.473 4.812 4.340 -0.001 0.000 0.331 73 Q C -0.685 175.418 176.000 0.171 0.000 0.979 73 Q CA -0.370 55.507 55.803 0.123 0.000 0.955 73 Q CB 0.211 29.005 28.738 0.094 0.000 1.298 73 Q HN 0.655 nan 8.270 nan 0.000 0.432 74 G N 1.965 110.888 108.800 0.205 0.000 2.368 74 G HA2 0.259 4.219 3.960 -0.001 0.000 0.301 74 G HA3 0.259 4.219 3.960 -0.001 0.000 0.301 74 G C -1.930 173.146 174.900 0.293 0.000 1.640 74 G CA -0.760 44.512 45.100 0.287 0.000 0.941 74 G HN 0.347 nan 8.290 nan 0.000 0.695 75 K N -0.317 120.187 120.400 0.172 0.000 2.579 75 K HA 0.820 5.140 4.320 -0.001 0.000 0.284 75 K C -0.728 175.769 176.600 -0.172 0.000 0.990 75 K CA -1.276 54.913 56.287 -0.163 0.000 0.880 75 K CB 1.852 34.211 32.500 -0.236 0.000 1.488 75 K HN 1.075 nan 8.250 nan 0.000 0.425 76 W N 0.058 121.175 121.300 -0.305 0.000 2.992 76 W HA 0.708 5.367 4.660 -0.000 0.000 0.342 76 W C -1.389 175.069 176.519 -0.102 0.000 1.176 76 W CA -0.726 56.450 57.345 -0.283 0.000 1.118 76 W CB 1.410 30.515 29.460 -0.591 0.000 1.457 76 W HN 0.780 nan 8.180 nan 0.000 0.573 77 E N 0.344 120.844 120.200 0.499 0.000 2.256 77 E HA 0.605 4.955 4.350 -0.001 0.000 0.268 77 E C -0.438 176.393 176.600 0.385 0.000 0.877 77 E CA -0.393 56.266 56.400 0.433 0.000 0.757 77 E CB 2.383 32.208 29.700 0.209 0.000 1.183 77 E HN 0.783 nan 8.360 nan 0.000 0.418 78 G N 2.448 111.469 108.800 0.368 0.000 2.634 78 G HA2 0.356 4.316 3.960 -0.001 0.000 0.309 78 G HA3 0.356 4.316 3.960 -0.001 0.000 0.309 78 G C -1.316 173.677 174.900 0.155 0.000 1.299 78 G CA -0.681 44.528 45.100 0.182 0.000 0.798 78 G HN 0.459 nan 8.290 nan 0.000 0.490 79 E N -0.315 119.944 120.200 0.099 0.000 2.212 79 E HA 0.522 4.872 4.350 -0.001 0.000 0.268 79 E C -0.642 176.017 176.600 0.099 0.000 0.902 79 E CA -0.582 55.879 56.400 0.102 0.000 0.779 79 E CB 2.703 32.461 29.700 0.095 0.000 1.172 79 E HN 0.242 nan 8.360 nan 0.000 0.409 80 L N 1.675 122.956 121.223 0.097 0.000 2.375 80 L HA 0.689 5.028 4.340 -0.001 0.000 0.271 80 L C 0.609 177.529 176.870 0.083 0.000 1.107 80 L CA -0.122 54.768 54.840 0.083 0.000 0.806 80 L CB 1.198 43.299 42.059 0.070 0.000 1.146 80 L HN 0.732 nan 8.230 nan 0.000 0.447 81 G N 0.317 109.160 108.800 0.071 0.000 2.490 81 G HA2 0.562 4.522 3.960 -0.001 0.000 0.308 81 G HA3 0.562 4.522 3.960 -0.001 0.000 0.308 81 G C -1.117 173.786 174.900 0.005 0.000 1.286 81 G CA 0.218 45.329 45.100 0.019 0.000 0.825 81 G HN 0.620 nan 8.290 nan 0.000 0.479 82 T N -2.916 111.606 114.554 -0.053 0.000 2.693 82 T HA 0.814 5.163 4.350 -0.001 0.000 0.278 82 T C -1.229 173.492 174.700 0.034 0.000 0.994 82 T CA -0.035 62.056 62.100 -0.015 0.000 1.033 82 T CB 2.697 71.544 68.868 -0.035 0.000 1.342 82 T HN 1.057 nan 8.240 nan 0.000 0.538 83 D N -1.524 118.902 120.400 0.043 0.000 3.056 83 D HA 0.172 4.811 4.640 -0.001 0.000 0.303 83 D C -1.660 174.681 176.300 0.068 0.000 1.195 83 D CA -0.601 53.453 54.000 0.090 0.000 0.721 83 D CB 0.387 41.299 40.800 0.188 0.000 1.276 83 D HN 0.737 nan 8.370 nan 0.000 0.452 84 L N 1.062 122.330 121.223 0.076 0.000 2.292 84 L HA 0.675 5.015 4.340 -0.001 0.000 0.284 84 L C -0.114 176.802 176.870 0.077 0.000 1.065 84 L CA -0.778 54.106 54.840 0.073 0.000 0.806 84 L CB 1.447 43.543 42.059 0.063 0.000 1.175 84 L HN 0.146 nan 8.230 nan 0.000 0.431 85 V N 2.003 121.991 119.914 0.123 0.000 2.876 85 V HA 0.635 4.754 4.120 -0.001 0.000 0.312 85 V C -0.300 175.894 176.094 0.167 0.000 1.085 85 V CA -0.384 62.008 62.300 0.154 0.000 0.945 85 V CB 2.271 34.260 31.823 0.277 0.000 1.017 85 V HN 0.873 nan 8.190 nan 0.000 0.428 86 S N 2.822 118.593 115.700 0.119 0.000 2.685 86 S HA 0.762 5.232 4.470 -0.001 0.000 0.282 86 S C -1.054 173.589 174.600 0.072 0.000 1.159 86 S CA -0.613 57.647 58.200 0.099 0.000 0.833 86 S CB 2.049 65.284 63.200 0.058 0.000 1.151 86 S HN 0.549 nan 8.310 nan 0.000 0.485 87 I N 1.922 122.529 120.570 0.063 0.000 2.517 87 I HA 0.276 4.445 4.170 -0.001 0.000 0.280 87 I C -2.205 173.926 176.117 0.022 0.000 1.061 87 I CA -2.013 59.315 61.300 0.046 0.000 1.091 87 I CB 1.907 39.946 38.000 0.065 0.000 1.205 87 I HN 0.359 nan 8.210 nan 0.000 0.459 88 P HA -0.229 nan 4.420 nan 0.000 0.221 88 P C 0.234 177.398 177.300 -0.226 0.000 1.160 88 P CA 1.873 64.874 63.100 -0.165 0.000 0.933 88 P CB -0.018 31.542 31.700 -0.234 0.000 0.793 89 H N -1.340 117.765 119.070 0.058 0.000 2.557 89 H HA 0.523 5.079 4.556 -0.001 0.000 0.236 89 H C 0.935 176.308 175.328 0.076 0.000 1.676 89 H CA -0.295 55.792 56.048 0.066 0.000 1.197 89 H CB -0.449 29.351 29.762 0.064 0.000 1.604 89 H HN 0.145 nan 8.280 nan 0.000 0.509 90 G N 0.373 109.258 108.800 0.141 0.000 3.135 90 G HA2 0.330 4.289 3.960 -0.001 0.000 0.278 90 G HA3 0.330 4.289 3.960 -0.001 0.000 0.278 90 G C -2.559 172.415 174.900 0.124 0.000 1.302 90 G CA -1.561 43.620 45.100 0.135 0.000 0.880 90 G HN 0.037 nan 8.290 nan 0.000 0.574 91 P HA 0.089 nan 4.420 nan 0.000 0.272 91 P C -0.728 176.618 177.300 0.077 0.000 1.223 91 P CA -0.415 62.751 63.100 0.111 0.000 0.784 91 P CB 0.844 32.603 31.700 0.100 0.000 0.923 92 N N 1.650 120.388 118.700 0.063 0.000 2.671 92 N HA 0.192 4.932 4.740 -0.001 0.000 0.274 92 N C -0.358 175.170 175.510 0.031 0.000 1.188 92 N CA 0.118 53.192 53.050 0.040 0.000 1.065 92 N CB -0.564 37.940 38.487 0.029 0.000 1.415 92 N HN 0.249 nan 8.380 nan 0.000 0.511 93 V N -0.468 119.467 119.914 0.035 0.000 3.202 93 V HA 0.722 4.841 4.120 -0.001 0.000 0.306 93 V C -0.333 175.784 176.094 0.038 0.000 1.283 93 V CA -0.748 61.569 62.300 0.028 0.000 1.065 93 V CB 2.016 33.850 31.823 0.018 0.000 1.079 93 V HN 0.188 nan 8.190 nan 0.000 0.448 94 T N 1.281 115.854 114.554 0.033 0.000 2.952 94 T HA 0.817 5.167 4.350 -0.001 0.000 0.305 94 T C -0.726 173.997 174.700 0.037 0.000 1.064 94 T CA -0.160 61.968 62.100 0.047 0.000 1.008 94 T CB 1.525 70.417 68.868 0.039 0.000 1.078 94 T HN 1.931 nan 8.240 nan 0.000 0.459 95 V N 0.494 120.444 119.914 0.061 0.000 3.188 95 V HA 0.781 4.900 4.120 -0.001 0.000 0.305 95 V C -1.118 175.019 176.094 0.072 0.000 1.232 95 V CA -1.494 60.825 62.300 0.033 0.000 1.043 95 V CB 2.275 34.074 31.823 -0.040 0.000 1.068 95 V HN 0.884 nan 8.190 nan 0.000 0.439 96 R N 1.482 122.007 120.500 0.040 0.000 2.265 96 R HA 0.860 5.199 4.340 -0.001 0.000 0.328 96 R C -0.429 175.909 176.300 0.062 0.000 0.969 96 R CA 0.286 56.419 56.100 0.055 0.000 0.832 96 R CB 1.190 31.506 30.300 0.027 0.000 1.139 96 R HN 1.401 nan 8.270 nan 0.000 0.457 97 A N 3.932 126.826 122.820 0.124 0.000 2.479 97 A HA 0.462 4.782 4.320 -0.001 0.000 0.296 97 A C -0.962 176.691 177.584 0.115 0.000 1.121 97 A CA -1.069 51.068 52.037 0.168 0.000 0.743 97 A CB 1.315 20.573 19.000 0.430 0.000 1.323 97 A HN 0.795 nan 8.150 nan 0.000 0.415 98 N N -0.426 118.343 118.700 0.116 0.000 2.453 98 N HA 0.438 5.177 4.740 -0.001 0.000 0.253 98 N C -1.056 174.446 175.510 -0.014 0.000 1.252 98 N CA 0.619 53.705 53.050 0.060 0.000 0.917 98 N CB 0.709 39.246 38.487 0.084 0.000 1.117 98 N HN 0.456 nan 8.380 nan 0.000 0.442 99 I N 0.130 120.660 120.570 -0.067 0.000 2.722 99 I HA 0.313 4.483 4.170 -0.001 0.000 0.295 99 I C -0.522 175.552 176.117 -0.071 0.000 1.161 99 I CA -0.719 60.456 61.300 -0.208 0.000 1.032 99 I CB 1.967 39.753 38.000 -0.357 0.000 1.244 99 I HN 0.448 nan 8.210 nan 0.000 0.421 100 A N 4.406 127.150 122.820 -0.127 0.000 2.412 100 A HA 0.815 5.135 4.320 -0.001 0.000 0.334 100 A C 0.236 177.714 177.584 -0.177 0.000 1.419 100 A CA -0.559 51.398 52.037 -0.134 0.000 0.930 100 A CB 0.118 18.968 19.000 -0.250 0.000 1.149 100 A HN 0.854 nan 8.150 nan 0.000 0.515 101 A N 3.528 126.344 122.820 -0.007 0.000 2.505 101 A HA 0.400 4.719 4.320 -0.001 0.000 0.271 101 A C 0.203 177.772 177.584 -0.026 0.000 1.112 101 A CA 0.109 52.175 52.037 0.048 0.000 0.781 101 A CB -0.610 18.443 19.000 0.089 0.000 1.059 101 A HN 0.756 nan 8.150 nan 0.000 0.508 102 I N 4.120 124.658 120.570 -0.053 0.000 2.329 102 I HA 0.046 4.216 4.170 -0.001 0.000 0.295 102 I C 1.631 177.799 176.117 0.085 0.000 1.109 102 I CA 0.274 61.560 61.300 -0.022 0.000 1.297 102 I CB 0.730 38.719 38.000 -0.018 0.000 1.433 102 I HN 0.871 nan 8.210 nan 0.000 0.509 103 T N 1.300 115.909 114.554 0.090 0.000 3.040 103 T HA 0.225 4.574 4.350 -0.001 0.000 0.252 103 T C 0.599 175.365 174.700 0.109 0.000 1.064 103 T CA 0.113 62.255 62.100 0.070 0.000 1.110 103 T CB 0.226 69.122 68.868 0.046 0.000 0.921 103 T HN 0.501 nan 8.240 nan 0.000 0.480 104 E N 1.207 121.503 120.200 0.160 0.000 2.292 104 E HA 0.581 4.931 4.350 -0.001 0.000 0.272 104 E C -1.349 175.389 176.600 0.230 0.000 0.881 104 E CA -0.811 55.690 56.400 0.168 0.000 0.754 104 E CB 2.345 32.114 29.700 0.115 0.000 1.201 104 E HN 0.435 nan 8.360 nan 0.000 0.425 105 S N 1.326 117.182 115.700 0.260 0.000 2.541 105 S HA 0.572 5.041 4.470 -0.001 0.000 0.271 105 S C -1.419 173.332 174.600 0.252 0.000 1.133 105 S CA -1.046 57.319 58.200 0.276 0.000 0.876 105 S CB 2.189 65.610 63.200 0.368 0.000 1.105 105 S HN 0.479 nan 8.310 nan 0.000 0.470 106 D N 0.610 121.137 120.400 0.212 0.000 2.620 106 D HA 0.402 5.042 4.640 -0.001 0.000 0.252 106 D C -0.834 175.602 176.300 0.226 0.000 1.207 106 D CA -0.444 53.666 54.000 0.184 0.000 0.884 106 D CB 0.794 41.655 40.800 0.102 0.000 1.262 106 D HN 0.661 nan 8.370 nan 0.000 0.552 107 K N 2.516 123.062 120.400 0.243 0.000 3.071 107 K HA -0.251 4.068 4.320 -0.001 0.000 0.262 107 K C -0.283 176.494 176.600 0.294 0.000 0.977 107 K CA 0.432 56.864 56.287 0.241 0.000 0.721 107 K CB -1.039 31.568 32.500 0.179 0.000 1.293 107 K HN 0.483 nan 8.250 nan 0.000 0.475 108 F N -0.102 119.917 119.950 0.115 0.000 2.534 108 F HA 0.280 4.806 4.527 -0.001 0.000 0.274 108 F C 0.489 176.251 175.800 -0.062 0.000 0.917 108 F CA -0.142 57.875 58.000 0.029 0.000 1.145 108 F CB 0.355 39.310 39.000 -0.075 0.000 1.145 108 F HN -0.046 nan 8.300 nan 0.000 0.746 109 F N 2.680 122.642 119.950 0.021 0.000 2.495 109 F HA 0.235 4.762 4.527 -0.001 0.000 0.365 109 F C 0.264 175.927 175.800 -0.228 0.000 1.090 109 F CA -0.074 57.716 58.000 -0.349 0.000 1.235 109 F CB 0.182 38.979 39.000 -0.338 0.000 1.119 109 F HN -0.199 nan 8.300 nan 0.000 0.562 110 I N 3.099 123.434 120.570 -0.392 0.000 2.396 110 I HA 0.061 4.230 4.170 -0.001 0.000 0.292 110 I C 0.404 176.094 176.117 -0.712 0.000 0.999 110 I CA -0.460 60.597 61.300 -0.406 0.000 1.310 110 I CB 0.947 38.758 38.000 -0.315 0.000 1.404 110 I HN 0.619 nan 8.210 nan 0.000 0.496 111 N N 4.523 122.497 118.700 -1.209 0.000 2.411 111 N HA 0.021 4.761 4.740 -0.001 0.000 0.261 111 N C 0.784 175.925 175.510 -0.615 0.000 1.248 111 N CA 0.544 52.684 53.050 -1.517 0.000 0.885 111 N CB 0.370 38.053 38.487 -1.340 0.000 1.062 111 N HN 0.952 nan 8.380 nan 0.000 0.471 112 G N 2.419 110.976 108.800 -0.406 0.000 2.371 112 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.299 112 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.299 112 G C 0.675 175.469 174.900 -0.176 0.000 1.014 112 G CA 0.636 45.640 45.100 -0.159 0.000 1.097 112 G HN 0.781 nan 8.290 nan 0.000 0.512 113 S N -0.601 114.904 115.700 -0.325 0.000 2.511 113 S HA 0.115 4.585 4.470 -0.001 0.000 0.214 113 S C 1.444 175.916 174.600 -0.213 0.000 0.997 113 S CA 1.020 59.006 58.200 -0.357 0.000 0.908 113 S CB 0.037 62.635 63.200 -1.004 0.000 0.803 113 S HN 1.605 nan 8.310 nan 0.000 0.504 114 N N 1.074 119.658 118.700 -0.192 0.000 2.857 114 N HA -0.139 4.600 4.740 -0.001 0.000 0.242 114 N C -0.301 175.014 175.510 -0.326 0.000 0.983 114 N CA 1.842 54.814 53.050 -0.130 0.000 0.934 114 N CB -1.793 36.669 38.487 -0.042 0.000 1.115 114 N HN 0.884 nan 8.380 nan 0.000 0.593 115 W N -0.423 120.678 121.300 -0.332 0.000 2.570 115 W HA 0.677 5.337 4.660 -0.001 0.000 0.337 115 W C 0.113 176.581 176.519 -0.086 0.000 1.067 115 W CA -0.612 56.536 57.345 -0.329 0.000 1.229 115 W CB 0.441 29.798 29.460 -0.171 0.000 1.355 115 W HN -0.039 nan 8.180 nan 0.000 0.555 116 E N 1.225 121.577 120.200 0.253 0.000 2.714 116 E HA 0.339 4.689 4.350 -0.001 0.000 0.219 116 E C 0.590 177.461 176.600 0.452 0.000 0.979 116 E CA -0.068 56.439 56.400 0.178 0.000 1.092 116 E CB 1.337 31.039 29.700 0.004 0.000 1.049 116 E HN 0.641 nan 8.360 nan 0.000 0.487 117 G N 0.261 109.419 108.800 0.598 0.000 2.815 117 G HA2 0.727 4.686 3.960 -0.001 0.000 0.305 117 G HA3 0.727 4.686 3.960 -0.001 0.000 0.305 117 G C -1.649 173.522 174.900 0.451 0.000 1.277 117 G CA -0.647 44.770 45.100 0.528 0.000 0.795 117 G HN 0.082 nan 8.290 nan 0.000 0.528 118 I N -0.450 120.306 120.570 0.311 0.000 2.731 118 I HA 0.503 4.673 4.170 -0.001 0.000 0.289 118 I C -2.093 174.062 176.117 0.063 0.000 1.399 118 I CA -0.910 60.461 61.300 0.117 0.000 1.048 118 I CB 2.006 40.141 38.000 0.225 0.000 1.345 118 I HN 0.560 nan 8.210 nan 0.000 0.425 119 L N 8.176 129.298 121.223 -0.168 0.000 2.295 119 L HA 0.752 5.092 4.340 -0.001 0.000 0.281 119 L C -0.042 176.707 176.870 -0.202 0.000 1.018 119 L CA 0.074 54.681 54.840 -0.389 0.000 0.841 119 L CB 1.188 42.833 42.059 -0.689 0.000 1.218 119 L HN 0.631 nan 8.230 nan 0.000 0.424 120 G N 5.190 113.956 108.800 -0.056 0.000 2.349 120 G HA2 0.389 4.348 3.960 -0.001 0.000 0.281 120 G HA3 0.389 4.348 3.960 -0.001 0.000 0.281 120 G C 0.399 175.272 174.900 -0.046 0.000 1.182 120 G CA -0.441 44.661 45.100 0.003 0.000 0.899 120 G HN 0.768 nan 8.290 nan 0.000 0.455 121 L N 1.968 123.136 121.223 -0.091 0.000 2.607 121 L HA 0.243 4.583 4.340 -0.001 0.000 0.228 121 L C 1.913 178.737 176.870 -0.077 0.000 1.123 121 L CA -0.162 54.575 54.840 -0.173 0.000 0.890 121 L CB -0.012 41.800 42.059 -0.412 0.000 1.103 121 L HN 0.590 nan 8.230 nan 0.000 0.468 122 A N -0.666 122.130 122.820 -0.040 0.000 2.327 122 A HA 0.266 4.586 4.320 -0.001 0.000 0.255 122 A C -0.486 177.017 177.584 -0.134 0.000 1.099 122 A CA -0.150 51.792 52.037 -0.159 0.000 0.801 122 A CB 0.029 18.946 19.000 -0.138 0.000 1.062 122 A HN 0.105 nan 8.150 nan 0.000 0.496 123 Y N -0.359 119.825 120.300 -0.193 0.000 2.258 123 Y HA 0.318 4.868 4.550 -0.001 0.000 0.345 123 Y C 1.854 177.737 175.900 -0.029 0.000 1.303 123 Y CA 0.469 58.533 58.100 -0.059 0.000 1.537 123 Y CB 0.112 38.554 38.460 -0.029 0.000 1.383 123 Y HN 0.745 nan 8.280 nan 0.000 0.606 124 A N 0.504 123.447 122.820 0.206 0.000 1.873 124 A HA -0.317 4.003 4.320 -0.001 0.000 0.218 124 A C 2.036 179.674 177.584 0.090 0.000 1.193 124 A CA 2.131 54.241 52.037 0.121 0.000 0.629 124 A CB -1.115 17.953 19.000 0.114 0.000 0.826 124 A HN 0.933 nan 8.150 nan 0.000 0.447 125 E N 0.111 120.376 120.200 0.108 0.000 2.315 125 E HA -0.245 4.105 4.350 -0.001 0.000 0.215 125 E C 1.262 177.900 176.600 0.064 0.000 1.069 125 E CA 2.027 58.482 56.400 0.093 0.000 0.859 125 E CB -0.482 29.308 29.700 0.151 0.000 0.743 125 E HN 0.834 nan 8.360 nan 0.000 0.469 126 I N -3.264 117.305 120.570 -0.002 0.000 3.856 126 I HA 0.496 4.665 4.170 -0.001 0.000 0.330 126 I C 0.208 176.298 176.117 -0.045 0.000 1.546 126 I CA -0.508 60.748 61.300 -0.073 0.000 1.132 126 I CB 0.535 38.346 38.000 -0.315 0.000 1.157 126 I HN 0.020 nan 8.210 nan 0.000 0.440 127 A N 2.117 124.937 122.820 0.001 0.000 2.366 127 A HA 0.639 4.958 4.320 -0.001 0.000 0.272 127 A C 0.117 177.697 177.584 -0.006 0.000 1.135 127 A CA -0.410 51.641 52.037 0.024 0.000 0.804 127 A CB 0.411 19.445 19.000 0.058 0.000 1.064 127 A HN 0.324 nan 8.150 nan 0.000 0.499 128 R N 2.588 123.072 120.500 -0.025 0.000 2.486 128 R HA 0.343 4.683 4.340 -0.001 0.000 0.286 128 R C -2.243 174.031 176.300 -0.044 0.000 0.999 128 R CA -2.406 53.633 56.100 -0.101 0.000 0.993 128 R CB 0.158 30.315 30.300 -0.240 0.000 1.084 128 R HN 0.400 nan 8.270 nan 0.000 0.487 129 P HA -0.111 nan 4.420 nan 0.000 0.217 129 P C -0.374 176.878 177.300 -0.081 0.000 1.151 129 P CA 1.410 64.434 63.100 -0.127 0.000 0.828 129 P CB 0.338 31.986 31.700 -0.087 0.000 0.788 130 D N -2.877 117.502 120.400 -0.035 0.000 2.752 130 D HA 0.013 4.653 4.640 -0.001 0.000 0.313 130 D C -0.086 176.218 176.300 0.006 0.000 1.225 130 D CA -0.658 53.332 54.000 -0.016 0.000 0.976 130 D CB -0.412 40.381 40.800 -0.010 0.000 1.443 130 D HN -0.091 nan 8.370 nan 0.000 0.515 131 D N -0.693 119.715 120.400 0.015 0.000 2.363 131 D HA -0.055 4.585 4.640 -0.001 0.000 0.226 131 D C 0.421 176.742 176.300 0.034 0.000 1.020 131 D CA 0.118 54.136 54.000 0.030 0.000 0.892 131 D CB -0.029 40.791 40.800 0.034 0.000 0.900 131 D HN 0.179 nan 8.370 nan 0.000 0.531 132 S N 0.323 116.039 115.700 0.026 0.000 2.406 132 S HA -0.067 4.403 4.470 -0.001 0.000 0.228 132 S C 1.093 175.714 174.600 0.035 0.000 1.020 132 S CA -0.266 57.950 58.200 0.027 0.000 0.965 132 S CB -0.196 63.015 63.200 0.019 0.000 0.798 132 S HN 0.248 nan 8.310 nan 0.000 0.488 133 L N 3.767 125.015 121.223 0.042 0.000 2.505 133 L HA 0.117 4.457 4.340 -0.001 0.000 0.275 133 L C 0.380 177.293 176.870 0.071 0.000 1.264 133 L CA 0.056 54.930 54.840 0.057 0.000 1.148 133 L CB -1.058 41.041 42.059 0.067 0.000 1.377 133 L HN 0.153 nan 8.230 nan 0.000 0.442 134 E N 5.351 125.588 120.200 0.062 0.000 2.820 134 E HA -0.050 4.300 4.350 -0.001 0.000 0.251 134 E C -2.119 174.538 176.600 0.094 0.000 0.944 134 E CA -1.020 55.418 56.400 0.064 0.000 0.955 134 E CB 0.466 30.189 29.700 0.040 0.000 0.904 134 E HN 0.402 nan 8.360 nan 0.000 0.513 135 P HA -0.013 nan 4.420 nan 0.000 0.275 135 P C -0.011 177.384 177.300 0.158 0.000 1.228 135 P CA -0.281 62.907 63.100 0.145 0.000 0.786 135 P CB 0.398 32.161 31.700 0.104 0.000 0.927 136 F N 3.059 123.075 119.950 0.109 0.000 2.053 136 F HA -0.327 4.199 4.527 -0.001 0.000 0.295 136 F C 1.870 177.689 175.800 0.031 0.000 1.102 136 F CA 1.817 59.874 58.000 0.096 0.000 1.225 136 F CB -0.948 38.074 39.000 0.035 0.000 0.961 136 F HN 0.250 nan 8.300 nan 0.000 0.495 137 F N 1.182 120.985 119.950 -0.246 0.000 2.216 137 F HA -0.209 4.317 4.527 -0.001 0.000 0.300 137 F C 2.388 178.007 175.800 -0.303 0.000 1.085 137 F CA 2.056 59.833 58.000 -0.371 0.000 1.326 137 F CB -0.597 38.257 39.000 -0.244 0.000 1.027 137 F HN 0.046 nan 8.300 nan 0.000 0.497 138 D N -0.775 119.602 120.400 -0.040 0.000 2.117 138 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 138 D C 2.407 178.619 176.300 -0.147 0.000 0.987 138 D CA 1.525 55.499 54.000 -0.043 0.000 0.829 138 D CB -0.153 40.659 40.800 0.019 0.000 0.961 138 D HN 0.235 nan 8.370 nan 0.000 0.460 139 S N 0.803 116.382 115.700 -0.202 0.000 2.368 139 S HA -0.125 4.345 4.470 -0.001 0.000 0.224 139 S C 1.905 176.303 174.600 -0.336 0.000 1.029 139 S CA 0.295 58.366 58.200 -0.215 0.000 0.988 139 S CB -0.234 62.867 63.200 -0.166 0.000 0.838 139 S HN 0.162 nan 8.310 nan 0.000 0.462 140 L N 2.318 123.175 121.223 -0.610 0.000 1.990 140 L HA -0.096 4.244 4.340 -0.001 0.000 0.213 140 L C 2.161 178.756 176.870 -0.458 0.000 1.072 140 L CA 1.807 56.251 54.840 -0.660 0.000 0.755 140 L CB -0.893 40.526 42.059 -1.067 0.000 0.889 140 L HN 0.160 nan 8.230 nan 0.000 0.432 141 V N -0.355 119.274 119.914 -0.475 0.000 2.343 141 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 141 V C 2.612 178.601 176.094 -0.174 0.000 1.051 141 V CA 2.122 64.243 62.300 -0.297 0.000 1.036 141 V CB -0.817 30.881 31.823 -0.207 0.000 0.654 141 V HN 0.485 nan 8.190 nan 0.000 0.451 142 K N -0.512 119.797 120.400 -0.151 0.000 2.362 142 K HA -0.128 4.191 4.320 -0.001 0.000 0.200 142 K C 1.966 178.510 176.600 -0.092 0.000 1.046 142 K CA 1.054 57.282 56.287 -0.098 0.000 0.952 142 K CB 0.045 32.502 32.500 -0.073 0.000 0.753 142 K HN 0.539 nan 8.250 nan 0.000 0.466 143 Q N -0.440 119.293 119.800 -0.113 0.000 2.247 143 Q HA 0.029 4.368 4.340 -0.001 0.000 0.211 143 Q C 0.077 176.049 176.000 -0.047 0.000 0.861 143 Q CA 0.227 55.985 55.803 -0.076 0.000 0.949 143 Q CB 1.403 30.092 28.738 -0.081 0.000 1.115 143 Q HN 0.272 nan 8.270 nan 0.000 0.507 144 T N -4.440 110.080 114.554 -0.056 0.000 2.654 144 T HA 0.247 4.597 4.350 -0.001 0.000 0.289 144 T C -0.025 174.704 174.700 0.048 0.000 1.062 144 T CA -0.662 61.455 62.100 0.028 0.000 1.041 144 T CB 0.859 69.725 68.868 -0.003 0.000 1.417 144 T HN -0.037 nan 8.240 nan 0.000 0.510 145 H N -0.773 118.276 119.070 -0.035 0.000 2.539 145 H HA 0.466 5.021 4.556 -0.000 0.000 0.269 145 H C 0.608 175.929 175.328 -0.012 0.000 0.980 145 H CA -0.011 56.027 56.048 -0.016 0.000 1.152 145 H CB -0.187 29.576 29.762 0.002 0.000 1.407 145 H HN 0.342 nan 8.280 nan 0.000 0.564 146 V N 3.188 123.139 119.914 0.063 0.000 2.644 146 V HA -0.030 4.090 4.120 -0.001 0.000 0.305 146 V C -1.783 174.316 176.094 0.008 0.000 1.053 146 V CA -0.967 61.345 62.300 0.020 0.000 1.186 146 V CB 0.501 32.280 31.823 -0.073 0.000 0.895 146 V HN 0.214 nan 8.190 nan 0.000 0.490 147 P HA 0.096 nan 4.420 nan 0.000 0.271 147 P C -0.185 177.203 177.300 0.146 0.000 1.218 147 P CA -0.321 62.833 63.100 0.090 0.000 0.780 147 P CB 0.308 32.073 31.700 0.109 0.000 0.901 148 N N 3.049 121.849 118.700 0.166 0.000 2.971 148 N HA 0.227 4.967 4.740 -0.001 0.000 0.294 148 N C -1.032 174.677 175.510 0.331 0.000 1.210 148 N CA 0.245 53.477 53.050 0.303 0.000 1.157 148 N CB -1.106 37.510 38.487 0.215 0.000 1.450 148 N HN 0.334 nan 8.380 nan 0.000 0.527 149 L N 1.879 123.349 121.223 0.412 0.000 2.700 149 L HA 0.508 4.848 4.340 -0.001 0.000 0.255 149 L C -2.005 175.054 176.870 0.314 0.000 0.933 149 L CA -0.908 54.083 54.840 0.252 0.000 0.920 149 L CB 0.865 42.994 42.059 0.117 0.000 1.472 149 L HN 0.155 nan 8.230 nan 0.000 0.426 150 F N 1.726 121.616 119.950 -0.100 0.000 2.591 150 F HA 0.879 5.405 4.527 -0.001 0.000 0.309 150 F C -0.921 174.769 175.800 -0.184 0.000 1.098 150 F CA -0.590 57.322 58.000 -0.147 0.000 0.937 150 F CB 1.503 40.346 39.000 -0.262 0.000 1.250 150 F HN 0.449 nan 8.300 nan 0.000 0.447 151 S N 3.233 118.770 115.700 -0.271 0.000 2.607 151 S HA 0.915 5.384 4.470 -0.001 0.000 0.303 151 S C -1.273 173.147 174.600 -0.300 0.000 1.086 151 S CA -0.861 57.060 58.200 -0.465 0.000 0.995 151 S CB 2.036 64.861 63.200 -0.624 0.000 1.084 151 S HN 0.847 nan 8.310 nan 0.000 0.507 152 L N 1.148 122.157 121.223 -0.356 0.000 2.401 152 L HA 0.590 4.930 4.340 -0.001 0.000 0.266 152 L C -0.637 176.178 176.870 -0.091 0.000 0.991 152 L CA -0.459 54.281 54.840 -0.166 0.000 0.818 152 L CB 2.226 44.191 42.059 -0.157 0.000 1.321 152 L HN 0.755 nan 8.230 nan 0.000 0.413 153 Q N 4.065 123.878 119.800 0.022 0.000 2.337 153 Q HA 0.502 4.842 4.340 -0.001 0.000 0.264 153 Q C -1.903 174.054 176.000 -0.072 0.000 1.007 153 Q CA -0.489 55.374 55.803 0.100 0.000 0.727 153 Q CB 1.762 30.639 28.738 0.232 0.000 1.256 153 Q HN 0.613 nan 8.270 nan 0.000 0.467 154 L N 3.225 124.347 121.223 -0.168 0.000 2.295 154 L HA 0.608 4.948 4.340 -0.001 0.000 0.285 154 L C -0.603 176.222 176.870 -0.075 0.000 1.035 154 L CA -0.805 53.816 54.840 -0.366 0.000 0.806 154 L CB 1.474 43.107 42.059 -0.710 0.000 1.214 154 L HN 0.662 nan 8.230 nan 0.000 0.426 155 c N 1.775 120.415 118.600 0.066 0.000 2.493 155 c HA 0.695 5.265 4.570 -0.001 0.000 0.326 155 c C 1.059 175.252 174.090 0.171 0.000 1.200 155 c CA -0.940 55.448 56.329 0.098 0.000 1.739 155 c CB 1.069 43.613 42.510 0.057 0.000 2.300 155 c HN 0.948 nan 8.230 nan 0.000 0.500 170 V N 1.552 121.391 119.914 -0.125 0.000 3.237 170 V HA 0.833 4.952 4.120 -0.001 0.000 0.305 170 V C 0.683 176.719 176.094 -0.096 0.000 1.096 170 V CA 0.655 62.871 62.300 -0.141 0.000 1.130 170 V CB 0.346 31.950 31.823 -0.365 0.000 1.048 170 V HN 1.239 nan 8.190 nan 0.000 0.484 171 G N -0.426 108.414 108.800 0.066 0.000 2.682 171 G HA2 0.870 4.829 3.960 -0.001 0.000 0.290 171 G HA3 0.870 4.829 3.960 -0.001 0.000 0.290 171 G C -0.555 174.481 174.900 0.227 0.000 1.425 171 G CA -0.269 44.892 45.100 0.101 0.000 0.807 171 G HN 1.671 nan 8.290 nan 0.000 0.482 172 G N -1.435 107.429 108.800 0.107 0.000 2.342 172 G HA2 0.580 4.539 3.960 -0.001 0.000 0.297 172 G HA3 0.580 4.539 3.960 -0.001 0.000 0.297 172 G C -1.476 173.427 174.900 0.005 0.000 1.313 172 G CA -0.098 45.017 45.100 0.024 0.000 0.830 172 G HN 1.158 nan 8.290 nan 0.000 0.506 173 S N -0.051 115.648 115.700 -0.001 0.000 2.594 173 S HA 0.585 5.055 4.470 -0.001 0.000 0.296 173 S C -0.428 174.194 174.600 0.037 0.000 1.124 173 S CA -0.476 57.745 58.200 0.035 0.000 1.011 173 S CB 1.485 64.729 63.200 0.074 0.000 1.016 173 S HN 0.744 nan 8.310 nan 0.000 0.485 174 M N 5.423 125.046 119.600 0.039 0.000 2.047 174 M HA 0.472 4.952 4.480 -0.001 0.000 0.342 174 M C -1.539 174.807 176.300 0.076 0.000 1.058 174 M CA -0.619 54.709 55.300 0.048 0.000 0.991 174 M CB 0.085 32.704 32.600 0.031 0.000 1.474 174 M HN 0.403 nan 8.290 nan 0.000 0.419 175 I N 6.973 127.582 120.570 0.065 0.000 2.291 175 I HA 0.268 4.437 4.170 -0.001 0.000 0.292 175 I C -0.126 175.999 176.117 0.014 0.000 1.064 175 I CA -0.321 60.983 61.300 0.006 0.000 1.269 175 I CB 0.132 38.096 38.000 -0.060 0.000 1.418 175 I HN 0.734 nan 8.210 nan 0.000 0.485 176 I N 5.247 125.851 120.570 0.057 0.000 2.325 176 I HA 0.344 4.514 4.170 -0.001 0.000 0.291 176 I C 1.160 177.322 176.117 0.074 0.000 1.019 176 I CA -0.020 61.372 61.300 0.154 0.000 1.302 176 I CB 1.205 39.320 38.000 0.192 0.000 1.401 176 I HN 0.855 nan 8.210 nan 0.000 0.485 177 G N 4.026 112.907 108.800 0.134 0.000 2.137 177 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.237 177 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.237 177 G C 0.184 175.056 174.900 -0.046 0.000 1.002 177 G CA -0.131 45.021 45.100 0.088 0.000 0.702 177 G HN 1.217 nan 8.290 nan 0.000 0.515 178 G N -1.378 107.288 108.800 -0.223 0.000 2.342 178 G HA2 0.585 4.545 3.960 -0.001 0.000 0.297 178 G HA3 0.585 4.545 3.960 -0.001 0.000 0.297 178 G C -1.425 173.259 174.900 -0.361 0.000 1.313 178 G CA -0.464 44.405 45.100 -0.385 0.000 0.830 178 G HN 0.807 nan 8.290 nan 0.000 0.506 179 I N 1.224 121.708 120.570 -0.144 0.000 2.418 179 I HA 0.278 4.448 4.170 -0.001 0.000 0.287 179 I C -1.004 175.316 176.117 0.339 0.000 1.008 179 I CA -0.658 60.722 61.300 0.135 0.000 1.104 179 I CB 2.083 40.205 38.000 0.202 0.000 1.264 179 I HN 0.394 nan 8.210 nan 0.000 0.438 180 D N 5.069 125.688 120.400 0.365 0.000 2.316 180 D HA 0.033 4.673 4.640 -0.001 0.000 0.245 180 D C 0.904 177.372 176.300 0.280 0.000 1.171 180 D CA -0.026 54.194 54.000 0.366 0.000 0.856 180 D CB 0.912 41.863 40.800 0.253 0.000 1.090 180 D HN 0.538 nan 8.370 nan 0.000 0.476 181 H N 1.954 121.147 119.070 0.204 0.000 2.489 181 H HA -0.117 4.438 4.556 -0.001 0.000 0.293 181 H C 1.915 177.168 175.328 -0.125 0.000 1.066 181 H CA 1.910 58.009 56.048 0.086 0.000 1.305 181 H CB 0.464 30.251 29.762 0.041 0.000 1.386 181 H HN 0.341 nan 8.280 nan 0.000 0.551 182 S N -1.023 114.652 115.700 -0.043 0.000 2.558 182 S HA 0.034 4.504 4.470 -0.001 0.000 0.217 182 S C 1.686 176.175 174.600 -0.185 0.000 0.975 182 S CA 0.043 58.163 58.200 -0.134 0.000 0.912 182 S CB -0.119 63.053 63.200 -0.047 0.000 0.776 182 S HN 0.381 nan 8.310 nan 0.000 0.526 183 L N 0.677 121.752 121.223 -0.246 0.000 2.591 183 L HA 0.302 4.642 4.340 -0.001 0.000 0.228 183 L C 0.437 177.121 176.870 -0.310 0.000 1.133 183 L CA -0.115 54.505 54.840 -0.367 0.000 0.880 183 L CB -0.390 41.249 42.059 -0.700 0.000 1.033 183 L HN 0.592 nan 8.230 nan 0.000 0.450 184 Y N -2.318 117.725 120.300 -0.428 0.000 2.689 184 Y HA 0.705 5.255 4.550 -0.001 0.000 0.333 184 Y C -0.423 175.368 175.900 -0.182 0.000 1.190 184 Y CA -1.562 56.396 58.100 -0.238 0.000 1.063 184 Y CB 0.980 39.336 38.460 -0.173 0.000 1.294 184 Y HN -0.111 nan 8.280 nan 0.000 0.466 185 T N -1.293 113.218 114.554 -0.072 0.000 2.906 185 T HA 0.754 5.104 4.350 -0.001 0.000 0.295 185 T C 0.328 175.015 174.700 -0.023 0.000 1.075 185 T CA -0.297 61.697 62.100 -0.176 0.000 1.005 185 T CB 1.094 69.917 68.868 -0.076 0.000 1.136 185 T HN 2.342 nan 8.240 nan 0.000 0.498 186 G N 1.621 110.385 108.800 -0.060 0.000 2.601 186 G HA2 0.044 4.004 3.960 -0.001 0.000 0.252 186 G HA3 0.044 4.004 3.960 -0.001 0.000 0.252 186 G C -0.004 174.968 174.900 0.120 0.000 1.294 186 G CA 0.008 45.132 45.100 0.041 0.000 0.912 186 G HN 2.138 nan 8.290 nan 0.000 0.574 187 S N -1.015 114.772 115.700 0.145 0.000 2.621 187 S HA 0.792 5.262 4.470 -0.001 0.000 0.302 187 S C -0.073 174.552 174.600 0.041 0.000 1.093 187 S CA -0.848 57.417 58.200 0.108 0.000 1.017 187 S CB 2.022 65.192 63.200 -0.049 0.000 1.077 187 S HN 0.917 nan 8.310 nan 0.000 0.517 188 L N 1.240 122.392 121.223 -0.118 0.000 2.312 188 L HA 0.483 4.822 4.340 -0.001 0.000 0.281 188 L C -1.046 175.498 176.870 -0.542 0.000 1.070 188 L CA -0.461 54.181 54.840 -0.330 0.000 0.805 188 L CB 0.670 42.459 42.059 -0.450 0.000 1.174 188 L HN 0.725 nan 8.230 nan 0.000 0.434 189 W N 1.927 122.847 121.300 -0.634 0.000 2.736 189 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 189 W C -0.958 175.134 176.519 -0.711 0.000 1.059 189 W CA -0.270 56.591 57.345 -0.807 0.000 1.226 189 W CB 1.342 29.774 29.460 -1.712 0.000 1.416 189 W HN 0.173 nan 8.180 nan 0.000 0.505 190 Y N 1.516 121.840 120.300 0.040 0.000 2.341 190 Y HA 0.430 4.980 4.550 -0.001 0.000 0.338 190 Y C 0.516 176.699 175.900 0.471 0.000 0.965 190 Y CA -0.895 57.332 58.100 0.212 0.000 1.108 190 Y CB 2.013 40.515 38.460 0.070 0.000 1.180 190 Y HN 0.138 nan 8.280 nan 0.000 0.458 191 T N 5.799 120.717 114.554 0.607 0.000 2.795 191 T HA 0.455 4.805 4.350 -0.001 0.000 0.282 191 T C -2.659 172.202 174.700 0.267 0.000 0.980 191 T CA -2.442 59.888 62.100 0.384 0.000 1.012 191 T CB 0.681 69.651 68.868 0.172 0.000 0.936 191 T HN 0.266 nan 8.240 nan 0.000 0.457 192 P HA 0.208 nan 4.420 nan 0.000 0.269 192 P C -0.561 176.829 177.300 0.149 0.000 1.217 192 P CA -0.121 63.072 63.100 0.156 0.000 0.783 192 P CB 0.392 32.165 31.700 0.122 0.000 0.898 193 I N 2.488 123.148 120.570 0.149 0.000 2.304 193 I HA 0.224 4.394 4.170 -0.001 0.000 0.291 193 I C 1.879 178.080 176.117 0.141 0.000 1.018 193 I CA -0.328 61.075 61.300 0.172 0.000 1.260 193 I CB 0.992 39.118 38.000 0.210 0.000 1.390 193 I HN 0.436 nan 8.210 nan 0.000 0.475 194 R N 5.417 126.008 120.500 0.152 0.000 2.096 194 R HA 0.002 4.342 4.340 -0.001 0.000 0.229 194 R C 0.778 177.146 176.300 0.113 0.000 1.134 194 R CA 1.473 57.653 56.100 0.132 0.000 0.917 194 R CB 0.291 30.689 30.300 0.164 0.000 0.832 194 R HN 0.519 nan 8.270 nan 0.000 0.430 195 R N 0.551 121.162 120.500 0.184 0.000 2.628 195 R HA 0.150 4.490 4.340 -0.001 0.000 0.288 195 R C -1.263 175.139 176.300 0.169 0.000 0.980 195 R CA -0.443 55.728 56.100 0.119 0.000 0.891 195 R CB 1.893 32.174 30.300 -0.033 0.000 1.188 195 R HN 0.249 nan 8.270 nan 0.000 0.450 196 E N 4.587 124.724 120.200 -0.105 0.000 1.791 196 E HA 0.014 4.363 4.350 -0.001 0.000 0.263 196 E C 0.112 176.477 176.600 -0.391 0.000 1.213 196 E CA 0.122 56.164 56.400 -0.596 0.000 0.991 196 E CB 0.243 29.514 29.700 -0.714 0.000 1.068 196 E HN 0.557 nan 8.360 nan 0.000 0.417 197 W N 2.279 123.297 121.300 -0.469 0.000 5.233 197 W HA 0.146 4.805 4.660 -0.001 0.000 0.164 197 W C -0.728 175.679 176.519 -0.187 0.000 1.120 197 W CA -0.068 57.138 57.345 -0.231 0.000 1.836 197 W CB 0.138 29.525 29.460 -0.121 0.000 0.544 197 W HN 0.164 nan 8.180 nan 0.000 1.083 198 Y N 0.095 120.032 120.300 -0.604 0.000 2.753 198 Y HA 0.495 5.045 4.550 -0.001 0.000 0.324 198 Y C -0.543 175.130 175.900 -0.378 0.000 1.147 198 Y CA -1.390 56.331 58.100 -0.632 0.000 1.173 198 Y CB 0.912 38.772 38.460 -1.000 0.000 1.361 198 Y HN -0.212 nan 8.280 nan 0.000 0.545 199 Y N 0.959 121.403 120.300 0.241 0.000 2.849 199 Y HA 0.193 4.742 4.550 -0.001 0.000 0.356 199 Y C -0.007 175.975 175.900 0.137 0.000 1.236 199 Y CA -0.618 57.633 58.100 0.252 0.000 1.508 199 Y CB 0.156 38.829 38.460 0.355 0.000 1.619 199 Y HN 0.385 nan 8.280 nan 0.000 0.513 200 E N 1.805 122.126 120.200 0.202 0.000 2.316 200 E HA 0.410 4.759 4.350 -0.001 0.000 0.275 200 E C -0.800 175.907 176.600 0.179 0.000 1.029 200 E CA -0.559 55.938 56.400 0.162 0.000 0.871 200 E CB 0.824 30.674 29.700 0.252 0.000 1.022 200 E HN 0.270 nan 8.360 nan 0.000 0.418 201 V N 1.747 121.736 119.914 0.126 0.000 3.102 201 V HA 0.586 4.706 4.120 -0.001 0.000 0.312 201 V C -0.303 175.831 176.094 0.066 0.000 1.135 201 V CA -1.120 61.236 62.300 0.094 0.000 1.022 201 V CB 1.607 33.465 31.823 0.059 0.000 1.056 201 V HN 0.674 nan 8.190 nan 0.000 0.436 202 I N 2.477 123.070 120.570 0.038 0.000 2.359 202 I HA 0.453 4.622 4.170 -0.001 0.000 0.284 202 I C -0.513 175.590 176.117 -0.025 0.000 1.018 202 I CA -0.315 61.006 61.300 0.034 0.000 1.173 202 I CB 1.372 39.403 38.000 0.051 0.000 1.326 202 I HN 0.479 nan 8.210 nan 0.000 0.462 203 I N 6.708 127.269 120.570 -0.016 0.000 2.416 203 I HA 0.051 4.221 4.170 -0.001 0.000 0.288 203 I C 1.263 177.381 176.117 0.002 0.000 1.051 203 I CA -0.173 61.084 61.300 -0.072 0.000 1.375 203 I CB 1.424 39.368 38.000 -0.093 0.000 1.407 203 I HN 0.508 nan 8.210 nan 0.000 0.516 204 V N 3.094 122.982 119.914 -0.042 0.000 3.578 204 V HA 0.392 4.512 4.120 -0.001 0.000 0.290 204 V C 0.511 176.594 176.094 -0.018 0.000 1.376 204 V CA 0.059 62.364 62.300 0.008 0.000 1.083 204 V CB -0.344 31.462 31.823 -0.028 0.000 0.911 204 V HN 0.900 nan 8.190 nan 0.000 0.433 205 R N -0.532 119.890 120.500 -0.129 0.000 2.739 205 R HA 0.640 4.980 4.340 -0.001 0.000 0.266 205 R C -2.501 173.610 176.300 -0.315 0.000 1.044 205 R CA -0.349 55.609 56.100 -0.237 0.000 0.885 205 R CB 2.402 32.401 30.300 -0.501 0.000 1.260 205 R HN 0.046 nan 8.270 nan 0.000 0.477 206 V N 2.140 121.825 119.914 -0.383 0.000 2.789 206 V HA 0.571 4.690 4.120 -0.001 0.000 0.311 206 V C -0.806 175.223 176.094 -0.109 0.000 1.073 206 V CA -0.739 61.377 62.300 -0.306 0.000 0.921 206 V CB 2.166 33.656 31.823 -0.556 0.000 1.009 206 V HN 0.808 nan 8.190 nan 0.000 0.426 207 E N 3.300 123.482 120.200 -0.031 0.000 2.383 207 E HA 0.605 4.955 4.350 -0.001 0.000 0.275 207 E C -1.671 174.939 176.600 0.016 0.000 0.918 207 E CA -0.801 55.604 56.400 0.007 0.000 0.764 207 E CB 2.818 32.556 29.700 0.062 0.000 1.252 207 E HN 0.392 nan 8.360 nan 0.000 0.449 208 I N 2.988 123.574 120.570 0.027 0.000 2.411 208 I HA 0.227 4.397 4.170 -0.001 0.000 0.284 208 I C -0.414 175.740 176.117 0.062 0.000 1.012 208 I CA -0.657 60.675 61.300 0.053 0.000 1.119 208 I CB 0.958 38.982 38.000 0.040 0.000 1.261 208 I HN 0.596 nan 8.210 nan 0.000 0.448 209 N N 5.160 123.911 118.700 0.084 0.000 2.714 209 N HA -0.203 4.537 4.740 -0.001 0.000 0.253 209 N C 1.236 176.777 175.510 0.051 0.000 1.024 209 N CA 1.327 54.422 53.050 0.076 0.000 0.726 209 N CB -0.806 37.728 38.487 0.079 0.000 0.908 209 N HN 1.121 nan 8.380 nan 0.000 0.542 210 G N -0.792 108.037 108.800 0.048 0.000 2.257 210 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.267 210 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.267 210 G C 0.042 174.953 174.900 0.020 0.000 0.984 210 G CA 0.785 45.908 45.100 0.038 0.000 0.626 210 G HN 0.686 nan 8.290 nan 0.000 0.540 211 Q N 1.260 121.069 119.800 0.016 0.000 2.344 211 Q HA 0.401 4.741 4.340 -0.001 0.000 0.253 211 Q C 0.054 176.048 176.000 -0.009 0.000 1.050 211 Q CA -0.514 55.289 55.803 0.001 0.000 0.912 211 Q CB 0.367 29.106 28.738 0.002 0.000 1.258 211 Q HN 0.312 nan 8.270 nan 0.000 0.443 212 D N 3.380 123.764 120.400 -0.026 0.000 2.571 212 D HA -0.145 4.495 4.640 -0.001 0.000 0.231 212 D C 0.578 176.875 176.300 -0.005 0.000 1.133 212 D CA 0.171 54.148 54.000 -0.039 0.000 0.862 212 D CB 0.911 41.676 40.800 -0.059 0.000 1.179 212 D HN 0.593 nan 8.370 nan 0.000 0.474 213 L N 3.526 124.764 121.223 0.026 0.000 2.217 213 L HA 0.014 4.354 4.340 -0.001 0.000 0.211 213 L C 0.857 177.772 176.870 0.073 0.000 1.107 213 L CA 1.009 55.890 54.840 0.070 0.000 0.783 213 L CB -0.566 41.580 42.059 0.144 0.000 0.919 213 L HN 0.534 nan 8.230 nan 0.000 0.442 214 K N 0.731 121.176 120.400 0.074 0.000 3.898 214 K HA -0.177 4.143 4.320 -0.001 0.000 0.282 214 K C -0.703 175.887 176.600 -0.017 0.000 1.014 214 K CA 0.838 57.138 56.287 0.020 0.000 0.848 214 K CB -1.484 31.010 32.500 -0.009 0.000 1.469 214 K HN 0.372 nan 8.250 nan 0.000 0.446 215 M N -0.229 119.335 119.600 -0.060 0.000 2.618 215 M HA 0.203 4.683 4.480 -0.001 0.000 0.281 215 M C -0.249 175.885 176.300 -0.277 0.000 1.267 215 M CA -1.070 54.103 55.300 -0.212 0.000 0.845 215 M CB 1.739 34.117 32.600 -0.370 0.000 1.732 215 M HN 0.105 nan 8.290 nan 0.000 0.461 216 D N 0.930 121.177 120.400 -0.255 0.000 2.401 216 D HA 0.087 4.727 4.640 -0.001 0.000 0.254 216 D C 1.238 177.342 176.300 -0.327 0.000 1.192 216 D CA -0.225 53.653 54.000 -0.203 0.000 0.885 216 D CB 0.937 41.650 40.800 -0.145 0.000 1.147 216 D HN 0.750 nan 8.370 nan 0.000 0.478 217 c N 3.658 122.134 118.600 -0.206 0.000 2.380 217 c HA -0.133 4.436 4.570 -0.001 0.000 0.302 217 c C 2.070 176.104 174.090 -0.094 0.000 1.361 217 c CA 0.185 56.450 56.329 -0.106 0.000 1.819 217 c CB -0.937 41.644 42.510 0.118 0.000 1.868 217 c HN 0.658 nan 8.230 nan 0.000 0.547 218 K N 0.630 120.965 120.400 -0.108 0.000 2.148 218 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 218 K C 2.127 178.698 176.600 -0.049 0.000 1.050 218 K CA 1.417 57.693 56.287 -0.018 0.000 0.942 218 K CB -0.136 32.363 32.500 -0.001 0.000 0.724 218 K HN 0.568 nan 8.250 nan 0.000 0.446 219 E N -0.190 119.878 120.200 -0.220 0.000 2.338 219 E HA -0.168 4.182 4.350 -0.001 0.000 0.197 219 E C 1.543 178.125 176.600 -0.030 0.000 1.007 219 E CA 1.044 57.336 56.400 -0.180 0.000 0.849 219 E CB -0.089 29.438 29.700 -0.289 0.000 0.774 219 E HN 0.549 nan 8.360 nan 0.000 0.506 220 Y N 0.413 120.738 120.300 0.040 0.000 2.395 220 Y HA 0.038 4.587 4.550 -0.001 0.000 0.293 220 Y C 1.518 177.445 175.900 0.044 0.000 1.123 220 Y CA 0.215 58.335 58.100 0.033 0.000 1.227 220 Y CB 0.340 38.804 38.460 0.006 0.000 1.012 220 Y HN -0.018 nan 8.280 nan 0.000 0.552 221 N N -0.669 118.158 118.700 0.212 0.000 2.338 221 N HA -0.018 4.721 4.740 -0.001 0.000 0.251 221 N C -1.011 174.600 175.510 0.169 0.000 1.199 221 N CA -0.117 53.033 53.050 0.166 0.000 0.879 221 N CB 0.132 38.720 38.487 0.168 0.000 1.159 221 N HN 0.185 nan 8.380 nan 0.000 0.514 222 Y N 2.577 122.856 120.300 -0.035 0.000 2.480 222 Y HA 0.129 4.678 4.550 -0.001 0.000 0.341 222 Y C 1.022 176.789 175.900 -0.221 0.000 1.031 222 Y CA 0.260 58.214 58.100 -0.242 0.000 1.295 222 Y CB 0.059 38.338 38.460 -0.302 0.000 1.162 222 Y HN 0.150 nan 8.280 nan 0.000 0.523 223 D N 2.413 122.438 120.400 -0.624 0.000 3.642 223 D HA -0.198 4.442 4.640 -0.001 0.000 0.218 223 D C -0.875 175.467 176.300 0.071 0.000 0.849 223 D CA 1.816 55.592 54.000 -0.373 0.000 2.163 223 D CB -0.967 39.536 40.800 -0.495 0.000 1.205 223 D HN 0.756 nan 8.370 nan 0.000 0.538 224 K N -0.955 119.438 120.400 -0.012 0.000 2.809 224 K HA 0.634 4.954 4.320 -0.001 0.000 0.293 224 K C -1.677 174.917 176.600 -0.011 0.000 1.061 224 K CA -0.772 55.553 56.287 0.064 0.000 0.837 224 K CB 1.155 33.697 32.500 0.070 0.000 1.524 224 K HN 0.064 nan 8.250 nan 0.000 0.370 225 S N 0.728 116.434 115.700 0.009 0.000 2.672 225 S HA 0.627 5.096 4.470 -0.001 0.000 0.291 225 S C -0.752 173.836 174.600 -0.020 0.000 1.145 225 S CA -0.829 57.367 58.200 -0.007 0.000 1.013 225 S CB 0.444 63.664 63.200 0.034 0.000 1.017 225 S HN 0.543 nan 8.310 nan 0.000 0.487 226 I N -0.021 120.517 120.570 -0.053 0.000 3.002 226 I HA 0.808 4.977 4.170 -0.001 0.000 0.310 226 I C -1.136 175.031 176.117 0.084 0.000 1.087 226 I CA -1.276 60.022 61.300 -0.005 0.000 1.017 226 I CB 1.874 39.789 38.000 -0.142 0.000 1.226 226 I HN 0.223 nan 8.210 nan 0.000 0.443 227 V N 2.327 122.358 119.914 0.196 0.000 2.350 227 V HA 0.411 4.531 4.120 -0.001 0.000 0.276 227 V C -1.027 175.247 176.094 0.301 0.000 1.028 227 V CA 0.082 62.519 62.300 0.229 0.000 0.860 227 V CB 0.729 32.667 31.823 0.192 0.000 0.990 227 V HN 0.807 nan 8.190 nan 0.000 0.453 228 D N 2.664 123.188 120.400 0.206 0.000 2.575 228 D HA 0.276 4.915 4.640 -0.001 0.000 0.250 228 D C 0.990 177.360 176.300 0.117 0.000 1.279 228 D CA -0.033 54.075 54.000 0.179 0.000 0.925 228 D CB 2.005 42.881 40.800 0.128 0.000 1.261 228 D HN 0.441 nan 8.370 nan 0.000 0.567 229 S N 1.598 117.353 115.700 0.091 0.000 2.515 229 S HA 0.026 4.495 4.470 -0.001 0.000 0.231 229 S C 1.877 176.488 174.600 0.019 0.000 0.987 229 S CA 0.546 58.766 58.200 0.032 0.000 0.936 229 S CB 0.107 63.286 63.200 -0.035 0.000 0.766 229 S HN 0.467 nan 8.310 nan 0.000 0.528 230 G N 0.382 109.189 108.800 0.011 0.000 2.623 230 G HA2 0.204 4.164 3.960 -0.001 0.000 0.214 230 G HA3 0.204 4.164 3.960 -0.001 0.000 0.214 230 G C 0.327 175.217 174.900 -0.016 0.000 1.138 230 G CA 0.279 45.357 45.100 -0.037 0.000 0.794 230 G HN 0.497 nan 8.290 nan 0.000 0.535 231 T N 0.399 114.967 114.554 0.024 0.000 2.823 231 T HA 0.431 4.780 4.350 -0.001 0.000 0.279 231 T C 1.127 175.854 174.700 0.045 0.000 0.998 231 T CA -0.408 61.708 62.100 0.028 0.000 0.994 231 T CB 2.050 70.934 68.868 0.028 0.000 0.960 231 T HN 0.007 nan 8.240 nan 0.000 0.448 232 T N 3.292 117.871 114.554 0.040 0.000 2.558 232 T HA -0.016 4.334 4.350 -0.001 0.000 0.247 232 T C 1.112 175.839 174.700 0.046 0.000 1.146 232 T CA 0.315 62.446 62.100 0.053 0.000 1.289 232 T CB -0.376 68.516 68.868 0.040 0.000 0.905 232 T HN 0.523 nan 8.240 nan 0.000 0.397 233 N N 1.424 120.138 118.700 0.022 0.000 2.178 233 N HA 0.013 4.753 4.740 -0.001 0.000 0.220 233 N C -0.438 175.076 175.510 0.007 0.000 1.292 233 N CA 0.092 53.140 53.050 -0.002 0.000 0.871 233 N CB -0.098 38.370 38.487 -0.032 0.000 1.085 233 N HN 0.291 nan 8.380 nan 0.000 0.438 234 L N 1.139 122.355 121.223 -0.011 0.000 2.272 234 L HA 0.336 4.676 4.340 -0.001 0.000 0.289 234 L C -0.371 176.502 176.870 0.005 0.000 1.032 234 L CA -0.516 54.330 54.840 0.010 0.000 0.810 234 L CB 0.328 42.393 42.059 0.009 0.000 1.205 234 L HN 0.396 nan 8.230 nan 0.000 0.422 235 R N 6.329 126.836 120.500 0.011 0.000 2.387 235 R HA 0.642 4.982 4.340 -0.001 0.000 0.314 235 R C -1.313 175.008 176.300 0.035 0.000 0.958 235 R CA -0.768 55.334 56.100 0.004 0.000 0.846 235 R CB 2.007 32.291 30.300 -0.027 0.000 1.147 235 R HN 0.583 nan 8.270 nan 0.000 0.447 236 L N 3.420 124.693 121.223 0.083 0.000 2.354 236 L HA 0.481 4.821 4.340 -0.001 0.000 0.269 236 L C -2.370 174.578 176.870 0.130 0.000 1.005 236 L CA -2.702 52.219 54.840 0.135 0.000 0.819 236 L CB 2.372 44.566 42.059 0.225 0.000 1.311 236 L HN 0.251 nan 8.230 nan 0.000 0.423 237 P HA -0.021 nan 4.420 nan 0.000 0.262 237 P C 0.401 177.802 177.300 0.169 0.000 1.199 237 P CA 0.074 63.247 63.100 0.121 0.000 0.763 237 P CB 0.573 32.369 31.700 0.159 0.000 0.790 238 K N 4.851 125.333 120.400 0.137 0.000 2.159 238 K HA -0.349 3.970 4.320 -0.001 0.000 0.217 238 K C 1.699 178.425 176.600 0.209 0.000 1.048 238 K CA 2.275 58.671 56.287 0.181 0.000 0.941 238 K CB -0.132 32.433 32.500 0.108 0.000 0.738 238 K HN 0.318 nan 8.250 nan 0.000 0.469 239 K N 0.184 120.664 120.400 0.133 0.000 2.009 239 K HA -0.150 4.169 4.320 -0.001 0.000 0.210 239 K C 2.051 178.709 176.600 0.097 0.000 1.049 239 K CA 1.889 58.223 56.287 0.080 0.000 0.929 239 K CB -0.101 32.407 32.500 0.013 0.000 0.714 239 K HN 0.075 nan 8.250 nan 0.000 0.440 240 V N 1.244 121.239 119.914 0.135 0.000 2.287 240 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 240 V C 2.119 178.311 176.094 0.163 0.000 1.053 240 V CA 2.060 64.466 62.300 0.178 0.000 1.027 240 V CB -0.664 31.316 31.823 0.262 0.000 0.646 240 V HN 0.350 nan 8.190 nan 0.000 0.447 241 F N 1.418 121.414 119.950 0.077 0.000 2.043 241 F HA -0.251 4.276 4.527 -0.001 0.000 0.297 241 F C 2.467 178.306 175.800 0.064 0.000 1.121 241 F CA 2.377 60.422 58.000 0.075 0.000 1.199 241 F CB -0.449 38.595 39.000 0.073 0.000 0.968 241 F HN 0.229 nan 8.300 nan 0.000 0.478 242 E N 0.253 120.487 120.200 0.057 0.000 2.097 242 E HA -0.260 4.089 4.350 -0.001 0.000 0.196 242 E C 2.354 178.864 176.600 -0.149 0.000 1.000 242 E CA 1.167 57.529 56.400 -0.063 0.000 0.804 242 E CB -0.536 29.204 29.700 0.067 0.000 0.740 242 E HN 0.544 nan 8.360 nan 0.000 0.454 243 A N 1.542 124.315 122.820 -0.078 0.000 1.877 243 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 243 A C 2.424 179.938 177.584 -0.116 0.000 1.186 243 A CA 1.741 53.736 52.037 -0.071 0.000 0.620 243 A CB -0.709 18.287 19.000 -0.007 0.000 0.822 243 A HN 0.300 nan 8.150 nan 0.000 0.443 244 A N -0.255 122.483 122.820 -0.136 0.000 1.877 244 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 244 A C 2.169 179.622 177.584 -0.218 0.000 1.186 244 A CA 2.018 53.969 52.037 -0.143 0.000 0.620 244 A CB -1.119 17.814 19.000 -0.112 0.000 0.822 244 A HN 0.694 nan 8.150 nan 0.000 0.443 245 V N -0.077 119.605 119.914 -0.388 0.000 2.594 245 V HA -0.199 3.921 4.120 -0.001 0.000 0.253 245 V C 2.395 178.229 176.094 -0.433 0.000 1.069 245 V CA 2.082 64.117 62.300 -0.442 0.000 1.082 245 V CB -0.868 30.617 31.823 -0.562 0.000 0.680 245 V HN 0.438 nan 8.190 nan 0.000 0.469 246 K N 1.425 121.641 120.400 -0.307 0.000 1.973 246 K HA -0.137 4.183 4.320 -0.001 0.000 0.212 246 K C 2.576 179.044 176.600 -0.220 0.000 1.047 246 K CA 2.108 58.247 56.287 -0.247 0.000 0.937 246 K CB -1.155 31.249 32.500 -0.161 0.000 0.721 246 K HN 0.380 nan 8.250 nan 0.000 0.440 247 S N 0.015 115.623 115.700 -0.153 0.000 2.383 247 S HA -0.070 4.400 4.470 -0.001 0.000 0.229 247 S C 2.086 176.634 174.600 -0.087 0.000 1.030 247 S CA 1.396 59.537 58.200 -0.098 0.000 1.002 247 S CB -0.289 62.877 63.200 -0.056 0.000 0.829 247 S HN 0.354 nan 8.310 nan 0.000 0.467 248 I N 0.785 121.289 120.570 -0.109 0.000 2.202 248 I HA -0.133 4.037 4.170 -0.001 0.000 0.242 248 I C 2.654 178.711 176.117 -0.100 0.000 1.091 248 I CA 1.249 62.539 61.300 -0.017 0.000 1.368 248 I CB -0.330 37.709 38.000 0.066 0.000 1.058 248 I HN 0.274 nan 8.210 nan 0.000 0.410 249 K N 1.044 121.156 120.400 -0.481 0.000 2.209 249 K HA -0.138 4.181 4.320 -0.001 0.000 0.204 249 K C 2.112 178.569 176.600 -0.239 0.000 1.048 249 K CA 1.213 57.117 56.287 -0.638 0.000 0.940 249 K CB 0.007 31.890 32.500 -1.027 0.000 0.729 249 K HN 0.312 nan 8.250 nan 0.000 0.451 250 A N 0.694 123.401 122.820 -0.189 0.000 1.929 250 A HA -0.012 4.308 4.320 -0.001 0.000 0.216 250 A C 2.204 179.756 177.584 -0.053 0.000 1.176 250 A CA 1.506 53.476 52.037 -0.110 0.000 0.628 250 A CB -0.423 18.517 19.000 -0.101 0.000 0.816 250 A HN 0.383 nan 8.150 nan 0.000 0.444 251 A N 0.203 123.013 122.820 -0.017 0.000 1.929 251 A HA 0.013 4.333 4.320 -0.001 0.000 0.216 251 A C 2.260 179.849 177.584 0.009 0.000 1.176 251 A CA 1.827 53.874 52.037 0.018 0.000 0.628 251 A CB -0.666 18.375 19.000 0.068 0.000 0.816 251 A HN 0.865 nan 8.150 nan 0.000 0.444 252 S N 0.487 116.200 115.700 0.022 0.000 2.593 252 S HA -0.015 4.454 4.470 -0.001 0.000 0.217 252 S C 1.458 176.032 174.600 -0.043 0.000 0.966 252 S CA 0.723 58.893 58.200 -0.051 0.000 0.914 252 S CB -0.623 62.566 63.200 -0.018 0.000 0.776 252 S HN 0.764 nan 8.310 nan 0.000 0.523 253 S N 1.159 116.835 115.700 -0.039 0.000 2.547 253 S HA -0.163 4.307 4.470 -0.001 0.000 0.255 253 S C 1.524 176.077 174.600 -0.079 0.000 0.977 253 S CA 1.339 59.503 58.200 -0.061 0.000 0.960 253 S CB -1.252 61.910 63.200 -0.064 0.000 0.746 253 S HN 0.609 nan 8.310 nan 0.000 0.532 254 T N 0.815 115.319 114.554 -0.084 0.000 2.995 254 T HA 0.063 4.413 4.350 -0.001 0.000 0.269 254 T C 0.247 174.880 174.700 -0.112 0.000 1.091 254 T CA 0.585 62.635 62.100 -0.082 0.000 1.128 254 T CB -0.190 68.635 68.868 -0.071 0.000 0.891 254 T HN 0.642 nan 8.240 nan 0.000 0.492 255 E N 0.926 121.022 120.200 -0.173 0.000 2.275 255 E HA 0.362 4.711 4.350 -0.001 0.000 0.270 255 E C -1.140 175.135 176.600 -0.543 0.000 0.882 255 E CA -0.863 55.338 56.400 -0.332 0.000 0.758 255 E CB 1.634 31.150 29.700 -0.307 0.000 1.195 255 E HN -0.005 nan 8.360 nan 0.000 0.419 256 K N 2.424 122.510 120.400 -0.523 0.000 2.138 256 K HA 0.528 4.847 4.320 -0.001 0.000 0.263 256 K C -0.906 175.372 176.600 -0.538 0.000 0.965 256 K CA -0.415 55.656 56.287 -0.359 0.000 0.868 256 K CB 1.011 33.435 32.500 -0.127 0.000 1.083 256 K HN 0.369 nan 8.250 nan 0.000 0.443 257 F N 2.207 122.360 119.950 0.339 0.000 2.546 257 F HA 0.322 4.849 4.527 -0.001 0.000 0.320 257 F C -1.619 174.371 175.800 0.316 0.000 1.076 257 F CA -2.249 55.902 58.000 0.251 0.000 0.928 257 F CB 1.365 40.450 39.000 0.141 0.000 1.189 257 F HN 0.315 nan 8.300 nan 0.000 0.465 258 P HA -0.082 nan 4.420 nan 0.000 0.258 258 P C 0.188 177.706 177.300 0.364 0.000 1.172 258 P CA 0.479 63.745 63.100 0.276 0.000 0.762 258 P CB 0.667 32.471 31.700 0.174 0.000 0.764 259 D N 3.629 124.230 120.400 0.334 0.000 2.311 259 D HA -0.192 4.448 4.640 -0.001 0.000 0.204 259 D C 2.049 178.533 176.300 0.307 0.000 1.000 259 D CA 2.170 56.384 54.000 0.356 0.000 0.910 259 D CB -0.411 40.513 40.800 0.207 0.000 0.900 259 D HN 0.538 nan 8.370 nan 0.000 0.463 260 G N -0.823 108.115 108.800 0.230 0.000 2.403 260 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 260 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 260 G C 1.399 176.394 174.900 0.158 0.000 1.154 260 G CA 0.550 45.754 45.100 0.173 0.000 0.784 260 G HN 0.382 nan 8.290 nan 0.000 0.538 261 F N 1.110 121.053 119.950 -0.012 0.000 2.091 261 F HA -0.119 4.408 4.527 -0.001 0.000 0.299 261 F C 1.962 177.632 175.800 -0.217 0.000 1.103 261 F CA 1.024 58.908 58.000 -0.193 0.000 1.228 261 F CB -0.581 38.158 39.000 -0.433 0.000 0.984 261 F HN 0.242 nan 8.300 nan 0.000 0.477 262 W N 0.622 121.659 121.300 -0.438 0.000 2.848 262 W HA 0.068 4.728 4.660 -0.001 0.000 0.241 262 W C 1.232 177.723 176.519 -0.047 0.000 1.289 262 W CA 0.290 57.266 57.345 -0.616 0.000 1.396 262 W CB -0.513 28.709 29.460 -0.396 0.000 1.138 262 W HN 0.055 nan 8.180 nan 0.000 0.677 263 L N -0.329 120.987 121.223 0.155 0.000 2.858 263 L HA 0.414 4.753 4.340 -0.001 0.000 0.251 263 L C 1.888 178.842 176.870 0.140 0.000 1.149 263 L CA 0.488 55.455 54.840 0.211 0.000 0.955 263 L CB -0.093 42.068 42.059 0.171 0.000 1.289 263 L HN 0.121 nan 8.230 nan 0.000 0.542 264 G N 0.395 109.264 108.800 0.114 0.000 2.179 264 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.260 264 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.260 264 G C 0.797 175.754 174.900 0.095 0.000 0.977 264 G CA 0.756 45.920 45.100 0.107 0.000 0.641 264 G HN 0.439 nan 8.290 nan 0.000 0.533 265 E N 0.144 120.400 120.200 0.094 0.000 2.016 265 E HA 0.009 4.358 4.350 -0.001 0.000 0.190 265 E C 1.495 178.147 176.600 0.087 0.000 0.985 265 E CA 1.086 57.536 56.400 0.083 0.000 0.802 265 E CB -0.043 29.708 29.700 0.084 0.000 0.762 265 E HN 0.741 nan 8.360 nan 0.000 0.448 266 Q N 0.482 120.348 119.800 0.110 0.000 2.195 266 Q HA 0.435 4.774 4.340 -0.001 0.000 0.250 266 Q C -0.399 175.681 176.000 0.134 0.000 0.988 266 Q CA -0.768 55.092 55.803 0.096 0.000 0.911 266 Q CB 1.484 30.276 28.738 0.090 0.000 1.258 266 Q HN 0.025 nan 8.270 nan 0.000 0.475 267 L N -2.160 119.094 121.223 0.052 0.000 2.293 267 L HA 0.871 5.211 4.340 -0.001 0.000 0.264 267 L C -0.605 176.140 176.870 -0.209 0.000 1.029 267 L CA -1.021 53.830 54.840 0.018 0.000 0.897 267 L CB 0.378 42.434 42.059 -0.004 0.000 1.497 267 L HN 0.340 nan 8.230 nan 0.000 0.495 268 V N -1.371 118.319 119.914 -0.373 0.000 2.888 268 V HA 0.664 4.784 4.120 -0.001 0.000 0.309 268 V C -0.782 174.936 176.094 -0.627 0.000 1.114 268 V CA -0.412 61.473 62.300 -0.691 0.000 0.940 268 V CB 1.601 32.627 31.823 -1.330 0.000 1.021 268 V HN 1.054 nan 8.190 nan 0.000 0.426 269 c N 2.647 120.838 118.600 -0.683 0.000 2.779 269 c HA 0.811 5.381 4.570 -0.001 0.000 0.314 269 c C -0.963 172.765 174.090 -0.603 0.000 1.231 269 c CA -0.712 55.346 56.329 -0.452 0.000 1.652 269 c CB 1.970 44.343 42.510 -0.229 0.000 2.198 269 c HN 0.894 nan 8.230 nan 0.000 0.483 270 W N 0.285 121.587 121.300 0.004 0.000 3.083 270 W HA 0.343 5.002 4.660 -0.001 0.000 0.333 270 W C -0.775 175.746 176.519 0.005 0.000 1.217 270 W CA -0.502 56.846 57.345 0.004 0.000 1.170 270 W CB 1.033 30.483 29.460 -0.016 0.000 1.437 270 W HN 0.576 nan 8.180 nan 0.000 0.557 271 Q N 1.202 121.146 119.800 0.240 0.000 2.304 271 Q HA 0.127 4.466 4.340 -0.001 0.000 0.301 271 Q C 0.417 176.501 176.000 0.141 0.000 1.063 271 Q CA 0.326 56.212 55.803 0.138 0.000 0.947 271 Q CB 0.259 29.063 28.738 0.110 0.000 1.201 271 Q HN 0.417 nan 8.270 nan 0.000 0.389 272 A N 2.061 124.940 122.820 0.097 0.000 2.583 272 A HA 0.282 4.602 4.320 -0.001 0.000 0.249 272 A C 1.250 178.889 177.584 0.092 0.000 1.035 272 A CA 0.893 52.984 52.037 0.090 0.000 0.777 272 A CB -0.671 18.362 19.000 0.055 0.000 0.942 272 A HN 1.118 nan 8.150 nan 0.000 0.516 273 G N 2.041 110.908 108.800 0.112 0.000 2.198 273 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.257 273 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.257 273 G C 0.574 175.517 174.900 0.072 0.000 1.042 273 G CA 1.134 46.295 45.100 0.102 0.000 0.791 273 G HN 2.328 nan 8.290 nan 0.000 0.502 274 T N -3.887 110.692 114.554 0.042 0.000 3.087 274 T HA 0.344 4.693 4.350 -0.001 0.000 0.283 274 T C 0.812 175.366 174.700 -0.244 0.000 0.956 274 T CA 0.863 62.947 62.100 -0.027 0.000 0.894 274 T CB 0.402 69.292 68.868 0.037 0.000 1.160 274 T HN 0.533 nan 8.240 nan 0.000 0.532 275 T N 6.106 120.423 114.554 -0.395 0.000 2.765 275 T HA 0.096 4.446 4.350 -0.001 0.000 0.275 275 T C -2.081 171.951 174.700 -1.114 0.000 1.007 275 T CA -0.177 61.254 62.100 -1.115 0.000 1.175 275 T CB 0.472 68.426 68.868 -1.523 0.000 0.993 275 T HN 0.272 nan 8.240 nan 0.000 0.510 276 P HA 0.063 nan 4.420 nan 0.000 0.225 276 P C 0.406 177.549 177.300 -0.262 0.000 1.768 276 P CA -0.274 62.518 63.100 -0.513 0.000 0.943 276 P CB -0.333 31.121 31.700 -0.410 0.000 1.936 277 W N 2.373 123.596 121.300 -0.129 0.000 2.290 277 W HA -0.325 4.335 4.660 -0.001 0.000 0.318 277 W C 2.252 178.839 176.519 0.113 0.000 1.248 277 W CA 1.776 59.111 57.345 -0.016 0.000 1.263 277 W CB -1.572 27.849 29.460 -0.064 0.000 1.147 277 W HN 0.297 nan 8.180 nan 0.000 0.494 278 N N 1.441 120.311 118.700 0.283 0.000 2.205 278 N HA -0.233 4.507 4.740 -0.001 0.000 0.186 278 N C 1.541 177.130 175.510 0.131 0.000 1.015 278 N CA 2.200 55.364 53.050 0.190 0.000 0.862 278 N CB -1.188 37.367 38.487 0.113 0.000 0.986 278 N HN 0.442 nan 8.380 nan 0.000 0.429 279 I N -3.356 117.248 120.570 0.056 0.000 2.676 279 I HA 0.086 4.255 4.170 -0.001 0.000 0.259 279 I C -0.282 175.802 176.117 -0.055 0.000 1.194 279 I CA 0.203 61.467 61.300 -0.060 0.000 1.473 279 I CB -0.356 37.525 38.000 -0.199 0.000 1.096 279 I HN -0.131 nan 8.210 nan 0.000 0.443 280 F N 3.687 123.753 119.950 0.194 0.000 2.399 280 F HA 0.479 5.006 4.527 -0.001 0.000 0.342 280 F C -1.827 174.144 175.800 0.284 0.000 1.106 280 F CA -2.520 55.664 58.000 0.307 0.000 1.196 280 F CB 0.173 39.391 39.000 0.363 0.000 1.163 280 F HN -0.088 nan 8.300 nan 0.000 0.547 281 P HA 0.225 nan 4.420 nan 0.000 0.276 281 P C -0.843 176.692 177.300 0.391 0.000 1.261 281 P CA -0.302 63.005 63.100 0.345 0.000 0.800 281 P CB 1.577 33.435 31.700 0.263 0.000 1.066 282 V N -1.193 118.877 119.914 0.259 0.000 2.863 282 V HA 0.548 4.667 4.120 -0.001 0.000 0.307 282 V C 0.089 176.318 176.094 0.225 0.000 1.061 282 V CA -0.705 61.736 62.300 0.235 0.000 1.024 282 V CB 0.567 32.471 31.823 0.135 0.000 1.049 282 V HN 0.305 nan 8.190 nan 0.000 0.471 283 I N 2.081 122.782 120.570 0.217 0.000 2.509 283 I HA 0.554 4.724 4.170 -0.001 0.000 0.293 283 I C -0.191 175.963 176.117 0.062 0.000 1.020 283 I CA -0.230 61.150 61.300 0.134 0.000 1.088 283 I CB 2.156 40.243 38.000 0.145 0.000 1.267 283 I HN 0.714 nan 8.210 nan 0.000 0.430 284 S N 6.600 122.298 115.700 -0.003 0.000 2.594 284 S HA 0.620 5.090 4.470 -0.001 0.000 0.296 284 S C -0.632 173.886 174.600 -0.138 0.000 1.124 284 S CA -0.587 57.556 58.200 -0.095 0.000 1.011 284 S CB 1.470 64.582 63.200 -0.146 0.000 1.016 284 S HN 0.342 nan 8.310 nan 0.000 0.485 285 L N 3.718 124.808 121.223 -0.222 0.000 2.298 285 L HA 0.511 4.850 4.340 -0.001 0.000 0.284 285 L C -1.174 175.478 176.870 -0.363 0.000 1.013 285 L CA -0.813 53.880 54.840 -0.245 0.000 0.824 285 L CB 0.577 42.483 42.059 -0.255 0.000 1.221 285 L HN 0.590 nan 8.230 nan 0.000 0.418 286 Y N 3.760 123.819 120.300 -0.401 0.000 2.319 286 Y HA 0.456 5.005 4.550 -0.001 0.000 0.328 286 Y C 0.269 175.863 175.900 -0.510 0.000 1.133 286 Y CA -0.114 57.710 58.100 -0.461 0.000 1.265 286 Y CB 0.892 39.106 38.460 -0.410 0.000 1.218 286 Y HN 0.377 nan 8.280 nan 0.000 0.508 287 L N 3.438 124.267 121.223 -0.656 0.000 2.319 287 L HA 0.494 4.834 4.340 -0.001 0.000 0.267 287 L C -0.142 176.389 176.870 -0.565 0.000 1.011 287 L CA -1.232 53.201 54.840 -0.680 0.000 0.818 287 L CB 1.899 43.359 42.059 -0.998 0.000 1.316 287 L HN 0.580 nan 8.230 nan 0.000 0.432 288 M N 0.950 120.376 119.600 -0.289 0.000 2.238 288 M HA 0.240 4.720 4.480 -0.001 0.000 0.350 288 M C 0.426 176.714 176.300 -0.021 0.000 1.321 288 M CA 0.212 55.449 55.300 -0.105 0.000 1.097 288 M CB 0.811 33.401 32.600 -0.017 0.000 1.713 288 M HN 0.701 nan 8.290 nan 0.000 0.455 289 G N 3.126 111.993 108.800 0.113 0.000 2.543 289 G HA2 0.232 4.192 3.960 -0.001 0.000 0.290 289 G HA3 0.232 4.192 3.960 -0.001 0.000 0.290 289 G C -0.033 175.022 174.900 0.259 0.000 1.310 289 G CA -0.412 44.884 45.100 0.326 0.000 1.025 289 G HN 0.896 nan 8.290 nan 0.000 0.502 290 E N -1.594 118.778 120.200 0.288 0.000 2.400 290 E HA 0.089 4.439 4.350 -0.001 0.000 0.195 290 E C 0.401 177.087 176.600 0.143 0.000 1.012 290 E CA -0.070 56.443 56.400 0.188 0.000 0.875 290 E CB 0.639 30.438 29.700 0.163 0.000 0.859 290 E HN 0.102 nan 8.360 nan 0.000 0.498 291 V N 1.752 121.767 119.914 0.168 0.000 2.644 291 V HA 0.081 4.201 4.120 -0.001 0.000 0.295 291 V C 0.475 176.638 176.094 0.115 0.000 1.053 291 V CA -0.550 61.827 62.300 0.128 0.000 0.987 291 V CB 1.696 33.604 31.823 0.142 0.000 1.006 291 V HN 0.050 nan 8.190 nan 0.000 0.472 292 T N 4.785 119.390 114.554 0.085 0.000 2.871 292 T HA 0.034 4.383 4.350 -0.001 0.000 0.296 292 T C 0.902 175.647 174.700 0.075 0.000 0.998 292 T CA 0.345 62.487 62.100 0.071 0.000 1.162 292 T CB -0.328 68.572 68.868 0.053 0.000 0.947 292 T HN 0.833 nan 8.240 nan 0.000 0.536 293 N N 1.350 120.092 118.700 0.070 0.000 2.741 293 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 293 N C -0.143 175.421 175.510 0.090 0.000 1.112 293 N CA 0.849 53.940 53.050 0.067 0.000 0.750 293 N CB -0.680 37.840 38.487 0.055 0.000 1.119 293 N HN 0.753 nan 8.380 nan 0.000 0.561 294 Q N 0.484 120.354 119.800 0.117 0.000 2.322 294 Q HA 0.530 4.870 4.340 -0.001 0.000 0.265 294 Q C -0.332 175.770 176.000 0.171 0.000 0.985 294 Q CA -0.446 55.453 55.803 0.159 0.000 0.849 294 Q CB 1.333 30.193 28.738 0.204 0.000 1.274 294 Q HN 0.353 nan 8.270 nan 0.000 0.449 295 S N 2.143 117.951 115.700 0.179 0.000 2.709 295 S HA 0.877 5.346 4.470 -0.001 0.000 0.302 295 S C -0.935 173.777 174.600 0.187 0.000 1.127 295 S CA -0.700 57.569 58.200 0.115 0.000 0.905 295 S CB 1.293 64.534 63.200 0.068 0.000 1.151 295 S HN 0.537 nan 8.310 nan 0.000 0.510 296 F N -1.258 118.670 119.950 -0.036 0.000 2.662 296 F HA 0.897 5.424 4.527 -0.001 0.000 0.312 296 F C -0.939 174.636 175.800 -0.376 0.000 1.113 296 F CA -1.241 56.599 58.000 -0.267 0.000 0.951 296 F CB 1.196 39.697 39.000 -0.831 0.000 1.344 296 F HN 0.962 nan 8.300 nan 0.000 0.462 297 R N 2.443 122.795 120.500 -0.245 0.000 2.750 297 R HA 0.871 5.211 4.340 -0.001 0.000 0.281 297 R C -1.456 174.640 176.300 -0.340 0.000 0.972 297 R CA -0.940 54.785 56.100 -0.625 0.000 0.912 297 R CB 2.417 31.832 30.300 -1.475 0.000 1.187 297 R HN 0.997 nan 8.270 nan 0.000 0.464 298 I N -0.936 119.397 120.570 -0.395 0.000 2.603 298 I HA 0.666 4.836 4.170 -0.001 0.000 0.300 298 I C -1.115 174.951 176.117 -0.084 0.000 1.017 298 I CA -0.740 60.394 61.300 -0.277 0.000 1.098 298 I CB 2.700 40.265 38.000 -0.724 0.000 1.279 298 I HN 0.610 nan 8.210 nan 0.000 0.437 299 T N 6.565 121.207 114.554 0.146 0.000 2.886 299 T HA 0.635 4.985 4.350 -0.001 0.000 0.292 299 T C -0.204 174.584 174.700 0.147 0.000 1.012 299 T CA -0.479 61.681 62.100 0.099 0.000 0.982 299 T CB 1.865 70.745 68.868 0.020 0.000 1.018 299 T HN 0.685 nan 8.240 nan 0.000 0.451 300 I N 0.126 120.762 120.570 0.110 0.000 3.133 300 I HA 0.805 4.975 4.170 -0.001 0.000 0.311 300 I C -1.300 174.838 176.117 0.036 0.000 1.072 300 I CA -1.544 59.764 61.300 0.014 0.000 1.015 300 I CB 1.442 39.471 38.000 0.049 0.000 1.233 300 I HN 0.443 nan 8.210 nan 0.000 0.473 301 L N 0.762 121.943 121.223 -0.069 0.000 2.303 301 L HA 0.551 4.890 4.340 -0.001 0.000 0.266 301 L C -1.772 174.839 176.870 -0.432 0.000 1.011 301 L CA -1.688 53.076 54.840 -0.126 0.000 0.818 301 L CB 1.744 43.715 42.059 -0.146 0.000 1.326 301 L HN 0.397 nan 8.230 nan 0.000 0.435 302 P HA -0.191 nan 4.420 nan 0.000 0.220 302 P C 0.875 177.848 177.300 -0.546 0.000 1.144 302 P CA 1.221 63.647 63.100 -1.123 0.000 0.800 302 P CB 0.345 31.852 31.700 -0.322 0.000 0.772 303 Q N -0.654 118.821 119.800 -0.542 0.000 2.291 303 Q HA -0.151 4.189 4.340 -0.001 0.000 0.205 303 Q C 2.247 178.078 176.000 -0.281 0.000 0.970 303 Q CA 1.416 56.829 55.803 -0.650 0.000 0.876 303 Q CB -0.390 27.836 28.738 -0.853 0.000 0.935 303 Q HN 0.262 nan 8.270 nan 0.000 0.455 304 Q N -1.562 118.084 119.800 -0.256 0.000 2.165 304 Q HA -0.037 4.303 4.340 -0.001 0.000 0.197 304 Q C 1.073 177.072 176.000 -0.001 0.000 0.952 304 Q CA 0.968 56.709 55.803 -0.104 0.000 0.848 304 Q CB 0.057 28.745 28.738 -0.084 0.000 0.931 304 Q HN 0.666 nan 8.270 nan 0.000 0.470 305 Y N -2.212 118.095 120.300 0.011 0.000 2.466 305 Y HA 0.445 4.995 4.550 -0.001 0.000 0.272 305 Y C -0.028 175.874 175.900 0.003 0.000 1.169 305 Y CA -0.533 57.553 58.100 -0.023 0.000 1.285 305 Y CB 0.095 38.525 38.460 -0.050 0.000 1.078 305 Y HN -0.107 nan 8.280 nan 0.000 0.523 306 L N 2.632 123.907 121.223 0.086 0.000 2.599 306 L HA 0.388 4.728 4.340 -0.001 0.000 0.241 306 L C 0.180 177.225 176.870 0.293 0.000 1.207 306 L CA -0.839 54.100 54.840 0.166 0.000 0.987 306 L CB 0.097 42.102 42.059 -0.090 0.000 1.318 306 L HN 0.175 nan 8.230 nan 0.000 0.458 307 R N 3.540 124.195 120.500 0.258 0.000 2.538 307 R HA 0.158 4.498 4.340 -0.001 0.000 0.282 307 R C -2.236 174.250 176.300 0.310 0.000 1.009 307 R CA -0.783 55.463 56.100 0.244 0.000 1.063 307 R CB 0.511 30.895 30.300 0.140 0.000 0.945 307 R HN 0.212 nan 8.270 nan 0.000 0.414 308 P HA 0.144 nan 4.420 nan 0.000 0.278 308 P C -1.146 176.101 177.300 -0.088 0.000 1.258 308 P CA -0.407 62.652 63.100 -0.069 0.000 0.811 308 P CB 1.513 33.150 31.700 -0.105 0.000 1.063 309 V N -1.953 117.854 119.914 -0.179 0.000 3.114 309 V HA 0.537 4.656 4.120 -0.001 0.000 0.308 309 V C 0.007 176.028 176.094 -0.122 0.000 1.168 309 V CA -1.312 60.926 62.300 -0.104 0.000 1.015 309 V CB 1.299 33.081 31.823 -0.068 0.000 1.050 309 V HN 0.645 nan 8.190 nan 0.000 0.433 314 T N 0.623 115.156 114.554 -0.035 0.000 2.824 314 T HA 0.440 4.790 4.350 -0.001 0.000 0.277 314 T C 1.153 175.837 174.700 -0.025 0.000 0.975 314 T CA 0.555 62.640 62.100 -0.026 0.000 0.966 314 T CB 1.297 70.153 68.868 -0.020 0.000 1.054 314 T HN 0.974 nan 8.240 nan 0.000 0.533 315 S N 0.290 115.979 115.700 -0.017 0.000 2.720 315 S HA -0.018 4.451 4.470 -0.001 0.000 0.222 315 S C 0.977 175.573 174.600 -0.007 0.000 0.958 315 S CA 0.132 58.324 58.200 -0.013 0.000 0.943 315 S CB -0.534 62.660 63.200 -0.009 0.000 0.779 315 S HN 0.699 nan 8.310 nan 0.000 0.526 316 Q N -0.371 119.426 119.800 -0.005 0.000 2.088 316 Q HA 0.423 4.762 4.340 -0.001 0.000 0.270 316 Q C -1.492 174.516 176.000 0.012 0.000 0.854 316 Q CA -0.536 55.271 55.803 0.007 0.000 1.104 316 Q CB 0.185 28.928 28.738 0.009 0.000 1.251 316 Q HN 0.200 nan 8.270 nan 0.000 0.436 317 D N 1.429 121.828 120.400 -0.001 0.000 2.616 317 D HA 0.213 4.852 4.640 -0.001 0.000 0.238 317 D C -1.577 174.708 176.300 -0.025 0.000 1.354 317 D CA -0.265 53.734 54.000 -0.002 0.000 0.970 317 D CB 1.480 42.260 40.800 -0.033 0.000 1.369 317 D HN 0.063 nan 8.370 nan 0.000 0.585 318 D N 1.627 122.043 120.400 0.027 0.000 2.343 318 D HA 0.230 4.869 4.640 -0.001 0.000 0.255 318 D C -0.245 175.972 176.300 -0.140 0.000 1.187 318 D CA 0.058 54.021 54.000 -0.062 0.000 0.875 318 D CB 0.539 41.414 40.800 0.127 0.000 1.136 318 D HN 0.198 nan 8.370 nan 0.000 0.469 319 c N 3.029 121.394 118.600 -0.393 0.000 2.507 319 c HA 0.618 5.188 4.570 -0.001 0.000 0.319 319 c C -0.521 173.261 174.090 -0.513 0.000 1.208 319 c CA -0.856 55.286 56.329 -0.313 0.000 1.619 319 c CB -0.080 42.310 42.510 -0.199 0.000 2.230 319 c HN 0.520 nan 8.230 nan 0.000 0.492 320 Y N 0.128 120.398 120.300 -0.051 0.000 2.634 320 Y HA 0.668 5.218 4.550 -0.001 0.000 0.340 320 Y C 0.032 175.965 175.900 0.054 0.000 1.058 320 Y CA -1.079 57.037 58.100 0.027 0.000 1.081 320 Y CB 1.150 39.657 38.460 0.077 0.000 1.295 320 Y HN 0.532 nan 8.280 nan 0.000 0.487 321 K N 0.876 121.458 120.400 0.303 0.000 2.316 321 K HA 0.420 4.739 4.320 -0.001 0.000 0.251 321 K C -1.746 175.073 176.600 0.365 0.000 0.934 321 K CA -0.756 55.706 56.287 0.292 0.000 0.802 321 K CB 1.229 33.827 32.500 0.164 0.000 1.171 321 K HN 0.588 nan 8.250 nan 0.000 0.426 322 F N 3.415 123.466 119.950 0.169 0.000 2.462 322 F HA 0.268 4.795 4.527 -0.001 0.000 0.360 322 F C 0.472 176.296 175.800 0.041 0.000 1.134 322 F CA -0.300 57.685 58.000 -0.025 0.000 1.148 322 F CB 0.662 39.240 39.000 -0.704 0.000 1.147 322 F HN 0.670 nan 8.300 nan 0.000 0.550 323 A N 7.140 129.757 122.820 -0.339 0.000 2.302 323 A HA 0.273 4.592 4.320 -0.001 0.000 0.219 323 A C 0.543 177.901 177.584 -0.376 0.000 1.243 323 A CA -0.055 51.832 52.037 -0.251 0.000 0.856 323 A CB -1.009 17.960 19.000 -0.052 0.000 0.893 323 A HN 0.621 nan 8.150 nan 0.000 0.491 324 I N 0.546 120.613 120.570 -0.838 0.000 2.336 324 I HA 0.343 4.513 4.170 -0.001 0.000 0.292 324 I C -0.142 175.992 176.117 0.030 0.000 0.991 324 I CA -0.049 61.015 61.300 -0.392 0.000 1.227 324 I CB 1.791 39.525 38.000 -0.443 0.000 1.366 324 I HN 0.048 nan 8.210 nan 0.000 0.466 325 S N 4.402 120.127 115.700 0.041 0.000 2.661 325 S HA 0.420 4.889 4.470 -0.001 0.000 0.285 325 S C -0.945 173.347 174.600 -0.513 0.000 1.138 325 S CA -0.882 57.169 58.200 -0.249 0.000 0.855 325 S CB 2.103 65.186 63.200 -0.194 0.000 1.136 325 S HN 0.634 nan 8.310 nan 0.000 0.484 326 Q N 0.230 119.431 119.800 -0.999 0.000 2.260 326 Q HA 0.760 5.100 4.340 -0.001 0.000 0.238 326 Q C -0.727 175.119 176.000 -0.256 0.000 0.948 326 Q CA -0.684 54.742 55.803 -0.628 0.000 0.895 326 Q CB 1.062 29.385 28.738 -0.691 0.000 1.218 326 Q HN 0.616 nan 8.270 nan 0.000 0.470 327 S N -0.734 114.892 115.700 -0.124 0.000 2.542 327 S HA 0.243 4.712 4.470 -0.001 0.000 0.276 327 S C -0.112 174.457 174.600 -0.051 0.000 1.148 327 S CA -0.249 57.903 58.200 -0.081 0.000 0.886 327 S CB 1.315 64.472 63.200 -0.072 0.000 1.109 327 S HN 0.803 nan 8.310 nan 0.000 0.458 328 S N 0.430 116.100 115.700 -0.049 0.000 2.548 328 S HA 0.057 4.526 4.470 -0.001 0.000 0.215 328 S C 1.257 175.793 174.600 -0.106 0.000 0.976 328 S CA 0.661 58.833 58.200 -0.047 0.000 0.908 328 S CB -0.739 62.449 63.200 -0.021 0.000 0.781 328 S HN 1.184 nan 8.310 nan 0.000 0.519 329 T N -1.683 112.810 114.554 -0.101 0.000 3.122 329 T HA 0.577 4.926 4.350 -0.001 0.000 0.250 329 T C 1.075 175.674 174.700 -0.167 0.000 1.067 329 T CA 0.150 62.175 62.100 -0.125 0.000 0.966 329 T CB -0.205 68.612 68.868 -0.084 0.000 1.002 329 T HN 1.137 nan 8.240 nan 0.000 0.542 330 G N 0.797 109.498 108.800 -0.164 0.000 2.549 330 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.404 330 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.404 330 G C -0.587 174.269 174.900 -0.074 0.000 1.292 330 G CA -0.655 44.360 45.100 -0.142 0.000 0.935 330 G HN 0.366 nan 8.290 nan 0.000 0.512 331 T N 0.540 115.069 114.554 -0.041 0.000 2.749 331 T HA 0.503 4.853 4.350 -0.001 0.000 0.295 331 T C 0.276 174.952 174.700 -0.039 0.000 0.936 331 T CA -0.081 62.012 62.100 -0.013 0.000 1.060 331 T CB 1.258 70.141 68.868 0.025 0.000 0.904 331 T HN 0.968 nan 8.240 nan 0.000 0.500 332 V N 6.070 125.967 119.914 -0.028 0.000 2.313 332 V HA 0.286 4.406 4.120 -0.001 0.000 0.278 332 V C 0.279 176.384 176.094 0.019 0.000 1.017 332 V CA -0.615 61.672 62.300 -0.022 0.000 0.823 332 V CB 0.978 32.783 31.823 -0.029 0.000 1.010 332 V HN 0.927 nan 8.190 nan 0.000 0.443 333 M N 4.817 124.442 119.600 0.043 0.000 3.011 333 M HA 0.276 4.756 4.480 -0.001 0.000 0.292 333 M C 1.226 177.584 176.300 0.097 0.000 1.440 333 M CA 0.114 55.459 55.300 0.074 0.000 1.552 333 M CB 0.176 32.832 32.600 0.093 0.000 1.187 333 M HN 0.784 nan 8.290 nan 0.000 0.520 334 G N 1.039 109.884 108.800 0.076 0.000 2.467 334 G HA2 0.285 4.245 3.960 -0.001 0.000 0.243 334 G HA3 0.285 4.245 3.960 -0.001 0.000 0.243 334 G C 0.992 175.950 174.900 0.098 0.000 1.521 334 G CA 0.319 45.466 45.100 0.079 0.000 1.055 334 G HN 0.674 nan 8.290 nan 0.000 0.553 335 A N -1.069 121.808 122.820 0.095 0.000 1.897 335 A HA 0.056 4.376 4.320 -0.001 0.000 0.215 335 A C 2.652 180.295 177.584 0.100 0.000 1.181 335 A CA 2.699 54.802 52.037 0.109 0.000 0.620 335 A CB -1.066 18.032 19.000 0.164 0.000 0.821 335 A HN 1.363 nan 8.150 nan 0.000 0.443 336 V N -1.356 118.612 119.914 0.090 0.000 2.453 336 V HA -0.245 3.875 4.120 -0.001 0.000 0.252 336 V C 1.997 178.142 176.094 0.086 0.000 1.068 336 V CA 2.057 64.407 62.300 0.083 0.000 1.070 336 V CB -0.801 31.078 31.823 0.093 0.000 0.664 336 V HN 0.416 nan 8.190 nan 0.000 0.461 337 I N -0.200 120.446 120.570 0.127 0.000 2.185 337 I HA -0.095 4.075 4.170 -0.001 0.000 0.235 337 I C 2.753 179.028 176.117 0.264 0.000 1.069 337 I CA 2.231 63.660 61.300 0.216 0.000 1.354 337 I CB -0.957 37.184 38.000 0.235 0.000 1.093 337 I HN 0.316 nan 8.210 nan 0.000 0.411 338 M N 0.321 120.064 119.600 0.239 0.000 2.143 338 M HA -0.255 4.225 4.480 -0.001 0.000 0.258 338 M C 1.836 178.179 176.300 0.073 0.000 1.071 338 M CA 1.730 57.157 55.300 0.210 0.000 1.088 338 M CB -0.576 32.083 32.600 0.097 0.000 1.360 338 M HN 0.237 nan 8.290 nan 0.000 0.404 339 E N -0.396 119.807 120.200 0.005 0.000 2.401 339 E HA -0.118 4.232 4.350 -0.001 0.000 0.199 339 E C 1.783 178.297 176.600 -0.143 0.000 1.023 339 E CA 0.776 57.154 56.400 -0.037 0.000 0.859 339 E CB -0.228 29.484 29.700 0.020 0.000 0.780 339 E HN 0.650 nan 8.360 nan 0.000 0.523 340 G N -0.304 108.242 108.800 -0.423 0.000 3.126 340 G HA2 0.189 4.149 3.960 -0.001 0.000 0.224 340 G HA3 0.189 4.149 3.960 -0.001 0.000 0.224 340 G C 0.118 174.365 174.900 -1.089 0.000 1.142 340 G CA -0.185 44.391 45.100 -0.872 0.000 0.759 340 G HN -0.005 nan 8.290 nan 0.000 0.550 341 F N -2.263 117.697 119.950 0.017 0.000 2.706 341 F HA 0.549 5.075 4.527 -0.001 0.000 0.328 341 F C -1.109 174.728 175.800 0.063 0.000 1.123 341 F CA -1.725 56.301 58.000 0.044 0.000 0.978 341 F CB 1.428 40.486 39.000 0.097 0.000 1.404 341 F HN -0.150 nan 8.300 nan 0.000 0.497 342 Y N 1.963 122.330 120.300 0.112 0.000 2.388 342 Y HA 0.661 5.211 4.550 -0.001 0.000 0.328 342 Y C -1.212 174.537 175.900 -0.252 0.000 0.963 342 Y CA -1.503 56.558 58.100 -0.066 0.000 1.240 342 Y CB 0.744 39.166 38.460 -0.063 0.000 1.118 342 Y HN 0.291 nan 8.280 nan 0.000 0.484 343 V N 7.036 126.602 119.914 -0.581 0.000 2.370 343 V HA 0.360 4.479 4.120 -0.001 0.000 0.279 343 V C -0.307 175.253 176.094 -0.889 0.000 1.029 343 V CA -0.962 60.823 62.300 -0.859 0.000 0.870 343 V CB 1.101 32.462 31.823 -0.770 0.000 0.984 343 V HN 0.517 nan 8.190 nan 0.000 0.451 344 V N 5.738 125.090 119.914 -0.936 0.000 2.364 344 V HA 0.382 4.502 4.120 -0.001 0.000 0.272 344 V C -0.253 175.442 176.094 -0.665 0.000 1.036 344 V CA -0.191 61.693 62.300 -0.694 0.000 0.880 344 V CB 0.993 32.509 31.823 -0.512 0.000 0.991 344 V HN 0.745 nan 8.190 nan 0.000 0.460 345 F N 2.820 122.278 119.950 -0.820 0.000 2.509 345 F HA 0.245 4.772 4.527 -0.001 0.000 0.344 345 F C 1.124 176.683 175.800 -0.402 0.000 1.197 345 F CA -0.433 57.100 58.000 -0.778 0.000 1.294 345 F CB 0.413 38.522 39.000 -1.485 0.000 1.643 345 F HN 0.469 nan 8.300 nan 0.000 0.596 346 D N 2.461 122.820 120.400 -0.069 0.000 2.736 346 D HA -0.034 4.606 4.640 -0.001 0.000 0.228 346 D C 1.618 177.980 176.300 0.103 0.000 1.077 346 D CA 0.275 54.292 54.000 0.029 0.000 1.096 346 D CB 0.056 40.874 40.800 0.030 0.000 1.138 346 D HN 0.459 nan 8.370 nan 0.000 0.461 347 R N 0.798 121.399 120.500 0.169 0.000 2.174 347 R HA -0.217 4.122 4.340 -0.001 0.000 0.253 347 R C 1.922 178.363 176.300 0.234 0.000 1.165 347 R CA 1.671 57.939 56.100 0.280 0.000 0.984 347 R CB -0.137 30.328 30.300 0.275 0.000 0.873 347 R HN 0.281 nan 8.270 nan 0.000 0.456 348 A N 0.563 123.480 122.820 0.161 0.000 2.235 348 A HA -0.024 4.296 4.320 -0.001 0.000 0.208 348 A C 1.077 178.706 177.584 0.076 0.000 1.172 348 A CA 0.610 52.718 52.037 0.118 0.000 0.786 348 A CB 0.096 19.151 19.000 0.091 0.000 0.804 348 A HN 0.227 nan 8.150 nan 0.000 0.479 349 R N -1.160 119.378 120.500 0.064 0.000 2.615 349 R HA 0.197 4.537 4.340 -0.001 0.000 0.448 349 R C -0.444 175.885 176.300 0.049 0.000 1.009 349 R CA -0.351 55.761 56.100 0.019 0.000 1.111 349 R CB 0.082 30.342 30.300 -0.067 0.000 1.461 349 R HN 0.307 nan 8.270 nan 0.000 0.587 350 K N 2.061 122.529 120.400 0.113 0.000 3.139 350 K HA -0.270 4.049 4.320 -0.001 0.000 0.261 350 K C -0.351 176.328 176.600 0.132 0.000 0.895 350 K CA 1.205 57.578 56.287 0.143 0.000 0.664 350 K CB -1.001 31.562 32.500 0.106 0.000 1.388 350 K HN 0.486 nan 8.250 nan 0.000 0.472 351 R N -0.681 119.893 120.500 0.122 0.000 2.808 351 R HA 0.702 5.042 4.340 -0.001 0.000 0.272 351 R C -0.881 175.511 176.300 0.154 0.000 0.995 351 R CA -1.079 55.110 56.100 0.149 0.000 0.917 351 R CB 1.421 31.786 30.300 0.107 0.000 1.217 351 R HN 0.030 nan 8.270 nan 0.000 0.471 352 I N 1.139 121.807 120.570 0.164 0.000 2.498 352 I HA 0.447 4.616 4.170 -0.001 0.000 0.290 352 I C -0.078 175.985 176.117 -0.090 0.000 1.032 352 I CA -1.008 60.230 61.300 -0.104 0.000 1.073 352 I CB 2.386 40.215 38.000 -0.285 0.000 1.251 352 I HN 0.902 nan 8.210 nan 0.000 0.426 353 G N 5.090 113.572 108.800 -0.530 0.000 2.389 353 G HA2 0.735 4.694 3.960 -0.001 0.000 0.328 353 G HA3 0.735 4.694 3.960 -0.001 0.000 0.328 353 G C -1.331 173.046 174.900 -0.873 0.000 1.133 353 G CA -0.210 44.348 45.100 -0.904 0.000 0.891 353 G HN 0.311 nan 8.290 nan 0.000 0.485 354 F N 0.300 119.925 119.950 -0.542 0.000 2.551 354 F HA 0.789 5.316 4.527 -0.000 0.000 0.316 354 F C 0.400 176.017 175.800 -0.306 0.000 1.089 354 F CA -0.645 57.108 58.000 -0.412 0.000 0.915 354 F CB 2.747 41.474 39.000 -0.455 0.000 1.186 354 F HN 0.742 nan 8.300 nan 0.000 0.456 355 A N 0.927 123.768 122.820 0.036 0.000 2.604 355 A HA 0.687 5.007 4.320 -0.001 0.000 0.295 355 A C -1.581 176.204 177.584 0.336 0.000 1.067 355 A CA -0.858 51.270 52.037 0.151 0.000 0.683 355 A CB 0.932 19.971 19.000 0.065 0.000 1.281 355 A HN 0.467 nan 8.150 nan 0.000 0.407 356 V N 1.845 121.944 119.914 0.310 0.000 2.493 356 V HA 0.230 4.349 4.120 -0.001 0.000 0.292 356 V C 1.268 177.505 176.094 0.239 0.000 1.016 356 V CA 0.579 63.026 62.300 0.245 0.000 1.097 356 V CB 0.790 32.696 31.823 0.138 0.000 0.947 356 V HN 0.951 nan 8.190 nan 0.000 0.479 357 S N 4.230 120.049 115.700 0.198 0.000 2.562 357 S HA 0.339 4.808 4.470 -0.001 0.000 0.281 357 S C 1.266 176.013 174.600 0.245 0.000 1.333 357 S CA -0.088 58.242 58.200 0.217 0.000 1.052 357 S CB 1.153 64.452 63.200 0.165 0.000 0.884 357 S HN 1.008 nan 8.310 nan 0.000 0.506 358 A N 3.148 126.030 122.820 0.104 0.000 2.206 358 A HA 0.058 4.377 4.320 -0.001 0.000 0.211 358 A C 1.925 179.512 177.584 0.005 0.000 1.158 358 A CA 0.909 52.968 52.037 0.035 0.000 0.761 358 A CB -1.002 17.970 19.000 -0.047 0.000 0.801 358 A HN 1.176 nan 8.150 nan 0.000 0.473 359 c N -1.443 117.171 118.600 0.024 0.000 3.230 359 c HA 0.272 4.841 4.570 -0.001 0.000 0.300 359 c C 1.147 175.208 174.090 -0.049 0.000 1.292 359 c CA 0.013 56.325 56.329 -0.028 0.000 1.707 359 c CB -1.528 40.977 42.510 -0.009 0.000 2.181 359 c HN 0.712 nan 8.230 nan 0.000 0.655 360 H N 1.718 120.779 119.070 -0.016 0.000 3.092 360 H HA 0.233 4.789 4.556 -0.001 0.000 0.332 360 H C -0.638 174.673 175.328 -0.028 0.000 1.029 360 H CA 0.614 56.635 56.048 -0.044 0.000 1.376 360 H CB 0.430 30.131 29.762 -0.102 0.000 1.329 360 H HN 0.236 nan 8.280 nan 0.000 0.598 361 V N 6.884 126.743 119.914 -0.091 0.000 2.455 361 V HA 0.152 4.271 4.120 -0.001 0.000 0.273 361 V C 0.681 176.653 176.094 -0.203 0.000 1.045 361 V CA 0.071 62.226 62.300 -0.243 0.000 0.976 361 V CB 0.102 31.802 31.823 -0.205 0.000 0.993 361 V HN 0.997 nan 8.190 nan 0.000 0.475 362 H N 2.299 121.156 119.070 -0.355 0.000 2.990 362 H HA 0.659 5.214 4.556 -0.001 0.000 0.343 362 H C -1.159 173.962 175.328 -0.345 0.000 1.270 362 H CA -1.012 54.852 56.048 -0.308 0.000 1.118 362 H CB 2.075 31.748 29.762 -0.147 0.000 1.861 362 H HN 0.645 nan 8.280 nan 0.000 0.544 363 D N -0.643 119.634 120.400 -0.204 0.000 2.564 363 D HA 0.079 4.719 4.640 -0.001 0.000 0.273 363 D C 1.069 177.277 176.300 -0.154 0.000 1.192 363 D CA -0.683 53.174 54.000 -0.237 0.000 1.080 363 D CB 1.169 41.861 40.800 -0.181 0.000 1.160 363 D HN 0.570 nan 8.370 nan 0.000 0.607 364 E N -0.969 119.039 120.200 -0.321 0.000 2.118 364 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 364 E C 1.056 177.241 176.600 -0.692 0.000 0.992 364 E CA 1.632 57.676 56.400 -0.593 0.000 0.804 364 E CB -0.271 28.846 29.700 -0.972 0.000 0.741 364 E HN 0.598 nan 8.360 nan 0.000 0.458 365 F N -0.896 119.081 119.950 0.044 0.000 2.622 365 F HA 0.364 4.891 4.527 -0.000 0.000 0.288 365 F C 1.219 177.040 175.800 0.036 0.000 1.120 365 F CA -0.128 57.895 58.000 0.040 0.000 1.423 365 F CB 0.315 39.339 39.000 0.039 0.000 1.127 365 F HN -0.304 nan 8.300 nan 0.000 0.588 366 R N -0.297 120.303 120.500 0.168 0.000 2.778 366 R HA 0.632 4.971 4.340 -0.001 0.000 0.277 366 R C -0.818 175.506 176.300 0.041 0.000 0.977 366 R CA -0.432 55.730 56.100 0.102 0.000 0.950 366 R CB 2.142 32.505 30.300 0.105 0.000 1.165 366 R HN -0.150 nan 8.270 nan 0.000 0.474 367 T N 0.213 114.758 114.554 -0.014 0.000 2.916 367 T HA 0.538 4.888 4.350 -0.001 0.000 0.305 367 T C -0.848 173.809 174.700 -0.072 0.000 1.119 367 T CA -0.409 61.638 62.100 -0.087 0.000 1.008 367 T CB 1.495 70.207 68.868 -0.260 0.000 1.129 367 T HN 0.695 nan 8.240 nan 0.000 0.480 368 A N 1.966 124.677 122.820 -0.183 0.000 2.475 368 A HA 0.723 5.042 4.320 -0.001 0.000 0.239 368 A C 0.418 177.919 177.584 -0.139 0.000 1.087 368 A CA 0.309 52.147 52.037 -0.331 0.000 0.779 368 A CB -0.329 18.136 19.000 -0.893 0.000 1.036 368 A HN 1.440 nan 8.150 nan 0.000 0.506 369 A N -0.416 122.425 122.820 0.034 0.000 2.606 369 A HA 0.648 4.968 4.320 -0.001 0.000 0.293 369 A C -1.295 176.378 177.584 0.149 0.000 1.082 369 A CA -0.366 51.721 52.037 0.084 0.000 0.685 369 A CB 1.512 20.533 19.000 0.035 0.000 1.284 369 A HN 1.506 nan 8.150 nan 0.000 0.408 370 V N 1.823 121.790 119.914 0.089 0.000 2.501 370 V HA 0.414 4.533 4.120 -0.001 0.000 0.277 370 V C -0.645 175.424 176.094 -0.042 0.000 1.004 370 V CA -0.172 62.132 62.300 0.006 0.000 0.862 370 V CB 1.025 32.875 31.823 0.045 0.000 1.035 370 V HN 0.958 nan 8.190 nan 0.000 0.448 371 E N 1.939 122.072 120.200 -0.111 0.000 2.263 371 E HA 0.911 5.260 4.350 -0.001 0.000 0.264 371 E C 0.165 176.542 176.600 -0.371 0.000 0.923 371 E CA -0.363 55.960 56.400 -0.128 0.000 0.802 371 E CB 2.575 32.301 29.700 0.043 0.000 1.228 371 E HN 0.859 nan 8.360 nan 0.000 0.417 372 G N 1.278 109.715 108.800 -0.606 0.000 2.466 372 G HA2 0.393 4.352 3.960 -0.001 0.000 0.291 372 G HA3 0.393 4.352 3.960 -0.001 0.000 0.291 372 G C -2.926 171.669 174.900 -0.508 0.000 1.460 372 G CA -0.840 43.660 45.100 -1.001 0.000 0.791 372 G HN 0.385 nan 8.290 nan 0.000 0.505 373 P HA 0.812 nan 4.420 nan 0.000 0.287 373 P C -1.511 175.430 177.300 -0.599 0.000 1.296 373 P CA -0.667 62.226 63.100 -0.344 0.000 0.811 373 P CB 1.476 33.226 31.700 0.083 0.000 1.211 374 F N -1.643 118.314 119.950 0.011 0.000 2.569 374 F HA 0.236 4.763 4.527 -0.001 0.000 0.312 374 F C -0.065 175.756 175.800 0.036 0.000 1.109 374 F CA -1.075 56.948 58.000 0.040 0.000 0.919 374 F CB 1.937 40.993 39.000 0.093 0.000 1.211 374 F HN -0.101 nan 8.300 nan 0.000 0.446 375 V N 2.399 122.422 119.914 0.181 0.000 2.446 375 V HA 0.286 4.406 4.120 -0.001 0.000 0.276 375 V C -0.125 176.024 176.094 0.092 0.000 1.030 375 V CA 0.242 62.609 62.300 0.112 0.000 1.033 375 V CB 0.340 32.208 31.823 0.075 0.000 0.993 375 V HN 0.814 nan 8.190 nan 0.000 0.477 376 T N 6.769 121.367 114.554 0.073 0.000 2.965 376 T HA 0.564 4.913 4.350 -0.001 0.000 0.306 376 T C -0.388 174.330 174.700 0.029 0.000 0.991 376 T CA -0.423 61.697 62.100 0.032 0.000 1.001 376 T CB 0.924 69.804 68.868 0.019 0.000 0.984 376 T HN 0.308 nan 8.240 nan 0.000 0.446 377 L N 2.233 123.466 121.223 0.017 0.000 2.399 377 L HA 0.468 4.808 4.340 -0.001 0.000 0.266 377 L C 0.109 176.987 176.870 0.013 0.000 1.114 377 L CA -0.568 54.283 54.840 0.018 0.000 0.804 377 L CB 0.137 42.204 42.059 0.014 0.000 1.146 377 L HN 0.615 nan 8.230 nan 0.000 0.451 378 D N 1.598 122.008 120.400 0.016 0.000 2.904 378 D HA -0.219 4.421 4.640 -0.001 0.000 0.231 378 D C 0.534 176.844 176.300 0.016 0.000 1.185 378 D CA 0.805 54.814 54.000 0.015 0.000 0.783 378 D CB -0.512 40.293 40.800 0.008 0.000 0.961 378 D HN 0.529 nan 8.370 nan 0.000 0.409 379 M N -0.444 119.169 119.600 0.022 0.000 2.447 379 M HA -0.014 4.466 4.480 -0.001 0.000 0.266 379 M C 2.045 178.364 176.300 0.032 0.000 1.120 379 M CA 0.512 55.827 55.300 0.025 0.000 1.166 379 M CB 0.018 32.633 32.600 0.025 0.000 1.349 379 M HN 0.030 nan 8.290 nan 0.000 0.463 380 E N 1.499 121.718 120.200 0.032 0.000 2.284 380 E HA -0.217 4.133 4.350 -0.001 0.000 0.200 380 E C 0.607 177.228 176.600 0.035 0.000 1.008 380 E CA 1.390 57.810 56.400 0.034 0.000 0.829 380 E CB -0.153 29.564 29.700 0.028 0.000 0.744 380 E HN 0.433 nan 8.360 nan 0.000 0.491 381 D N -1.906 118.512 120.400 0.030 0.000 2.349 381 D HA -0.026 4.614 4.640 -0.001 0.000 0.224 381 D C 0.613 176.939 176.300 0.043 0.000 1.029 381 D CA 0.356 54.374 54.000 0.030 0.000 0.879 381 D CB 0.089 40.899 40.800 0.018 0.000 0.906 381 D HN 0.257 nan 8.370 nan 0.000 0.528 382 c N 0.585 119.217 118.600 0.054 0.000 2.697 382 c HA 0.329 4.899 4.570 -0.001 0.000 0.267 382 c C 1.513 175.669 174.090 0.109 0.000 1.278 382 c CA -0.594 55.779 56.329 0.074 0.000 1.708 382 c CB -1.037 41.521 42.510 0.079 0.000 1.860 382 c HN 0.287 nan 8.230 nan 0.000 0.589 383 G N -0.237 108.625 108.800 0.102 0.000 2.333 383 G HA2 0.409 4.369 3.960 -0.001 0.000 0.290 383 G HA3 0.409 4.369 3.960 -0.001 0.000 0.290 383 G C -0.821 174.178 174.900 0.165 0.000 1.150 383 G CA 0.022 45.200 45.100 0.129 0.000 0.895 383 G HN 0.405 nan 8.290 nan 0.000 0.444 384 Y N 3.952 124.307 120.300 0.092 0.000 2.377 384 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 384 Y C 0.189 176.139 175.900 0.083 0.000 1.108 384 Y CA -0.717 57.450 58.100 0.111 0.000 1.308 384 Y CB 0.535 39.108 38.460 0.188 0.000 1.216 384 Y HN 0.516 nan 8.280 nan 0.000 0.518 385 N N 5.490 123.853 118.700 -0.563 0.000 3.061 385 N HA 0.446 5.186 4.740 -0.001 0.000 0.346 385 N C -1.253 173.819 175.510 -0.729 0.000 1.392 385 N CA -0.539 52.207 53.050 -0.507 0.000 0.762 385 N CB 0.902 39.248 38.487 -0.234 0.000 1.367 385 N HN 0.621 nan 8.380 nan 0.000 0.607 386 I N 0.000 120.352 120.570 -0.363 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 386 I CA 0.000 61.156 61.300 -0.240 0.000 1.566 386 I CB 0.000 37.903 38.000 -0.161 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494