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 2vrv_1_A DATA FIRST_RESID 18 DATA SEQUENCE IDEVPGMADE TALLDWLGTM REKQPVWQDR YGVWHVFRHA DVQTVLRDTA DATA SEQUENCE TFSSDPTRVI EGASPTPGMI HEIDPPEHRA LRKVVSSAFT PRTISDLEPR DATA SEQUENCE IRDVTRSLLA DAGESFDLVD VLAFPLPVTI VAELLGLPPM DHEQFGDWSG DATA SEQUENCE ALVDIQMDDP TDPALAERIA DVLNPLTAYL KARCAERRAD PGDDLISRLV DATA SEQUENCE LAEVDGRALD DEEAANFSTA LLLAGHITTT VLLGNIVRTL DEHPAHWDAA DATA SEQUENCE AEDPGRIPAI VEEVLRYRPP FPQMQRTTTK ATEVAGVPIP ADVMVNTWVL DATA SEQUENCE SANRDSDAHD DPDRFDPSRK SGGAAQLSFG HGVHFCLGAP LARLENRVAL DATA SEQUENCE EEIIARFGRL TVDRDDERLR HFEQIVLGTR HLPVLAGSSP R 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.219 176.117 0.170 0.000 1.063 18 I CA 0.000 61.369 61.300 0.116 0.000 1.566 18 I CB 0.000 38.077 38.000 0.127 0.000 1.214 19 D N 0.785 121.346 120.400 0.269 0.000 2.623 19 D HA 0.439 5.106 4.640 0.047 0.000 0.241 19 D C -1.237 175.189 176.300 0.209 0.000 1.241 19 D CA -0.263 53.871 54.000 0.223 0.000 0.788 19 D CB 2.087 43.018 40.800 0.220 0.000 1.413 19 D HN 0.112 nan 8.370 nan 0.000 0.429 20 E N 0.668 120.881 120.200 0.021 0.000 2.202 20 E HA 0.563 4.941 4.350 0.047 0.000 0.272 20 E C -0.921 175.474 176.600 -0.342 0.000 0.951 20 E CA -0.953 55.406 56.400 -0.069 0.000 0.813 20 E CB 1.654 31.297 29.700 -0.095 0.000 1.151 20 E HN 0.232 nan 8.360 nan 0.000 0.398 21 V N 6.106 125.861 119.914 -0.265 0.000 2.389 21 V HA 0.234 4.382 4.120 0.047 0.000 0.264 21 V C -1.853 173.956 176.094 -0.474 0.000 1.049 21 V CA -1.385 60.575 62.300 -0.568 0.000 0.932 21 V CB 0.350 32.153 31.823 -0.033 0.000 1.011 21 V HN 0.684 nan 8.190 nan 0.000 0.475 22 P HA 0.198 nan 4.420 nan 0.000 0.271 22 P C 0.436 177.644 177.300 -0.154 0.000 1.216 22 P CA 0.106 62.959 63.100 -0.411 0.000 0.776 22 P CB 0.860 32.268 31.700 -0.486 0.000 0.881 23 G N 1.568 110.323 108.800 -0.075 0.000 2.732 23 G HA2 0.061 4.049 3.960 0.047 0.000 0.244 23 G HA3 0.061 4.049 3.960 0.047 0.000 0.244 23 G C 0.804 175.739 174.900 0.059 0.000 1.226 23 G CA -0.371 44.737 45.100 0.013 0.000 0.860 23 G HN 0.425 nan 8.290 nan 0.000 0.583 24 M N 1.028 120.692 119.600 0.108 0.000 2.349 24 M HA 0.129 4.637 4.480 0.047 0.000 0.266 24 M C 2.660 179.021 176.300 0.103 0.000 1.076 24 M CA 1.446 56.831 55.300 0.143 0.000 1.126 24 M CB -0.115 32.593 32.600 0.178 0.000 1.392 24 M HN 0.619 nan 8.290 nan 0.000 0.440 25 A N -0.837 122.019 122.820 0.060 0.000 1.972 25 A HA -0.148 4.200 4.320 0.047 0.000 0.219 25 A C 1.210 178.665 177.584 -0.215 0.000 1.169 25 A CA 1.434 53.456 52.037 -0.024 0.000 0.635 25 A CB -0.573 18.419 19.000 -0.012 0.000 0.810 25 A HN 0.421 nan 8.150 nan 0.000 0.446 26 D N -0.266 120.058 120.400 -0.126 0.000 2.500 26 D HA 0.152 4.820 4.640 0.047 0.000 0.219 26 D C 1.004 177.254 176.300 -0.083 0.000 1.137 26 D CA -0.150 53.766 54.000 -0.140 0.000 0.946 26 D CB 0.435 41.176 40.800 -0.099 0.000 1.022 26 D HN 0.533 nan 8.370 nan 0.000 0.518 27 E N 1.570 121.718 120.200 -0.087 0.000 2.070 27 E HA -0.212 4.165 4.350 0.047 0.000 0.197 27 E C 1.038 177.624 176.600 -0.023 0.000 1.004 27 E CA 1.460 57.849 56.400 -0.019 0.000 0.805 27 E CB 0.424 30.131 29.700 0.012 0.000 0.744 27 E HN 0.345 nan 8.360 nan 0.000 0.451 28 T N 0.511 115.044 114.554 -0.035 0.000 2.708 28 T HA -0.153 4.225 4.350 0.047 0.000 0.266 28 T C 1.808 176.493 174.700 -0.026 0.000 1.037 28 T CA 1.419 63.503 62.100 -0.028 0.000 1.146 28 T CB -0.374 68.479 68.868 -0.026 0.000 0.865 28 T HN 0.379 nan 8.240 nan 0.000 0.435 29 A N 1.443 124.243 122.820 -0.033 0.000 1.865 29 A HA -0.069 4.279 4.320 0.047 0.000 0.217 29 A C 2.250 179.832 177.584 -0.003 0.000 1.191 29 A CA 1.640 53.659 52.037 -0.029 0.000 0.623 29 A CB -1.025 17.942 19.000 -0.054 0.000 0.826 29 A HN 0.409 nan 8.150 nan 0.000 0.444 30 L N -0.023 121.196 121.223 -0.006 0.000 1.971 30 L HA -0.203 4.165 4.340 0.047 0.000 0.215 30 L C 2.394 179.285 176.870 0.035 0.000 1.072 30 L CA 2.083 56.941 54.840 0.030 0.000 0.758 30 L CB -0.659 41.431 42.059 0.052 0.000 0.889 30 L HN 0.443 nan 8.230 nan 0.000 0.433 31 L N -0.666 120.557 121.223 -0.001 0.000 2.043 31 L HA -0.269 4.099 4.340 0.047 0.000 0.212 31 L C 2.329 179.163 176.870 -0.059 0.000 1.075 31 L CA 1.640 56.459 54.840 -0.035 0.000 0.752 31 L CB -0.875 41.156 42.059 -0.046 0.000 0.891 31 L HN 0.384 nan 8.230 nan 0.000 0.432 32 D N -1.212 119.167 120.400 -0.035 0.000 2.123 32 D HA -0.191 4.476 4.640 0.047 0.000 0.200 32 D C 1.678 177.932 176.300 -0.077 0.000 0.976 32 D CA 0.830 54.797 54.000 -0.055 0.000 0.831 32 D CB -0.150 40.630 40.800 -0.033 0.000 0.974 32 D HN 0.365 nan 8.370 nan 0.000 0.469 33 W N 2.024 123.181 121.300 -0.239 0.000 2.315 33 W HA -0.208 4.481 4.660 0.048 0.000 0.323 33 W C 2.139 178.380 176.519 -0.464 0.000 1.233 33 W CA 1.507 58.652 57.345 -0.334 0.000 1.267 33 W CB -0.700 28.561 29.460 -0.331 0.000 1.160 33 W HN -0.095 nan 8.180 nan 0.000 0.474 34 L N 0.604 121.523 121.223 -0.506 0.000 2.081 34 L HA -0.203 4.165 4.340 0.047 0.000 0.212 34 L C 2.698 179.166 176.870 -0.670 0.000 1.080 34 L CA 1.614 55.961 54.840 -0.821 0.000 0.754 34 L CB -1.729 40.081 42.059 -0.415 0.000 0.893 34 L HN 0.296 nan 8.230 nan 0.000 0.433 35 G N -0.019 108.543 108.800 -0.397 0.000 2.476 35 G HA2 -0.336 3.652 3.960 0.047 0.000 0.218 35 G HA3 -0.336 3.652 3.960 0.047 0.000 0.218 35 G C 1.705 176.389 174.900 -0.361 0.000 1.164 35 G CA 1.584 46.510 45.100 -0.289 0.000 0.768 35 G HN 0.481 nan 8.290 nan 0.000 0.560 36 T N -1.214 113.077 114.554 -0.439 0.000 2.821 36 T HA -0.057 4.321 4.350 0.047 0.000 0.267 36 T C 2.392 176.731 174.700 -0.603 0.000 1.046 36 T CA 1.562 63.398 62.100 -0.441 0.000 1.139 36 T CB -0.209 68.421 68.868 -0.396 0.000 0.871 36 T HN 0.064 nan 8.240 nan 0.000 0.454 37 M N 1.394 120.396 119.600 -0.997 0.000 2.117 37 M HA 0.102 4.610 4.480 0.047 0.000 0.262 37 M C 2.481 178.356 176.300 -0.708 0.000 1.065 37 M CA 1.299 55.878 55.300 -1.202 0.000 1.114 37 M CB -1.170 29.960 32.600 -2.450 0.000 1.361 37 M HN 0.331 nan 8.290 nan 0.000 0.408 38 R N 0.002 120.172 120.500 -0.549 0.000 2.120 38 R HA -0.161 4.207 4.340 0.047 0.000 0.234 38 R C 2.181 178.388 176.300 -0.154 0.000 1.123 38 R CA 1.411 57.386 56.100 -0.209 0.000 0.975 38 R CB -0.256 29.967 30.300 -0.129 0.000 0.866 38 R HN 0.563 nan 8.270 nan 0.000 0.446 39 E N 0.837 120.909 120.200 -0.213 0.000 2.051 39 E HA -0.145 4.233 4.350 0.047 0.000 0.189 39 E C 1.332 177.855 176.600 -0.129 0.000 0.979 39 E CA 1.105 57.416 56.400 -0.149 0.000 0.803 39 E CB 0.324 29.926 29.700 -0.163 0.000 0.761 39 E HN 0.140 nan 8.360 nan 0.000 0.451 40 K N -1.006 119.285 120.400 -0.182 0.000 2.387 40 K HA 0.178 4.526 4.320 0.047 0.000 0.197 40 K C 0.251 176.793 176.600 -0.096 0.000 1.127 40 K CA 0.200 56.405 56.287 -0.137 0.000 0.950 40 K CB 0.944 33.338 32.500 -0.176 0.000 1.017 40 K HN -0.036 nan 8.250 nan 0.000 0.519 41 Q N 0.506 120.222 119.800 -0.140 0.000 3.180 41 Q HA 0.142 4.510 4.340 0.047 0.000 0.317 41 Q C -2.390 173.689 176.000 0.132 0.000 0.824 41 Q CA -1.173 54.623 55.803 -0.011 0.000 0.926 41 Q CB 1.446 30.117 28.738 -0.112 0.000 1.487 41 Q HN 0.036 nan 8.270 nan 0.000 0.389 42 P HA -0.128 nan 4.420 nan 0.000 0.218 42 P C 0.402 177.955 177.300 0.421 0.000 1.146 42 P CA 1.012 64.281 63.100 0.282 0.000 0.813 42 P CB 0.456 32.249 31.700 0.155 0.000 0.778 43 V N -0.381 119.767 119.914 0.391 0.000 2.569 43 V HA 0.485 4.633 4.120 0.047 0.000 0.301 43 V C -1.427 175.021 176.094 0.591 0.000 1.044 43 V CA -0.540 62.008 62.300 0.413 0.000 0.874 43 V CB 2.370 34.371 31.823 0.297 0.000 1.002 43 V HN 0.103 nan 8.190 nan 0.000 0.424 44 W N 4.651 126.194 121.300 0.405 0.000 3.439 44 W HA 0.491 5.181 4.660 0.051 0.000 0.323 44 W C -0.981 175.582 176.519 0.073 0.000 1.174 44 W CA -0.310 57.202 57.345 0.279 0.000 1.224 44 W CB 1.643 31.307 29.460 0.340 0.000 1.348 44 W HN 0.598 nan 8.180 nan 0.000 0.498 45 Q N 4.711 123.854 119.800 -1.095 0.000 2.274 45 Q HA 0.221 4.589 4.340 0.047 0.000 0.256 45 Q C 0.151 175.117 176.000 -1.724 0.000 0.927 45 Q CA -0.292 54.556 55.803 -1.592 0.000 0.939 45 Q CB 1.181 28.740 28.738 -1.965 0.000 1.201 45 Q HN 0.564 nan 8.270 nan 0.000 0.426 46 D N 2.625 122.282 120.400 -1.238 0.000 2.469 46 D HA 0.106 4.774 4.640 0.047 0.000 0.278 46 D C 0.348 176.291 176.300 -0.594 0.000 1.231 46 D CA -0.314 53.063 54.000 -1.038 0.000 1.075 46 D CB 0.611 41.160 40.800 -0.418 0.000 1.121 46 D HN 0.434 nan 8.370 nan 0.000 0.571 47 R N -1.573 118.630 120.500 -0.494 0.000 2.193 47 R HA 0.065 4.433 4.340 0.047 0.000 0.213 47 R C 1.165 177.173 176.300 -0.487 0.000 1.055 47 R CA 0.920 56.718 56.100 -0.503 0.000 0.995 47 R CB -0.837 29.119 30.300 -0.574 0.000 0.893 47 R HN 0.504 nan 8.270 nan 0.000 0.459 48 Y N -0.483 119.763 120.300 -0.090 0.000 2.461 48 Y HA 0.326 4.904 4.550 0.046 0.000 0.277 48 Y C 1.209 177.059 175.900 -0.084 0.000 1.182 48 Y CA -0.054 58.012 58.100 -0.058 0.000 1.276 48 Y CB 0.091 38.541 38.460 -0.016 0.000 1.087 48 Y HN 0.147 nan 8.280 nan 0.000 0.519 49 G N 0.991 109.727 108.800 -0.107 0.000 2.272 49 G HA2 -0.248 3.740 3.960 0.047 0.000 0.280 49 G HA3 -0.248 3.740 3.960 0.047 0.000 0.280 49 G C -0.436 174.387 174.900 -0.128 0.000 1.067 49 G CA 0.146 45.140 45.100 -0.176 0.000 0.902 49 G HN 0.181 nan 8.290 nan 0.000 0.500 50 V N -0.291 119.545 119.914 -0.131 0.000 2.472 50 V HA 0.673 4.821 4.120 0.047 0.000 0.290 50 V C 0.212 176.196 176.094 -0.184 0.000 1.037 50 V CA -0.836 61.438 62.300 -0.042 0.000 0.908 50 V CB 1.242 33.094 31.823 0.049 0.000 0.985 50 V HN 0.335 nan 8.190 nan 0.000 0.454 51 W N 3.563 124.837 121.300 -0.044 0.000 2.338 51 W HA 0.500 5.187 4.660 0.044 0.000 0.307 51 W C 0.396 176.868 176.519 -0.079 0.000 1.167 51 W CA -0.257 57.092 57.345 0.007 0.000 1.208 51 W CB 0.437 29.902 29.460 0.009 0.000 1.228 51 W HN 0.513 nan 8.180 nan 0.000 0.499 52 H N 2.291 121.515 119.070 0.258 0.000 2.459 52 H HA 0.518 5.102 4.556 0.045 0.000 0.332 52 H C -0.745 174.446 175.328 -0.228 0.000 1.094 52 H CA -0.796 55.285 56.048 0.054 0.000 1.224 52 H CB 2.026 31.929 29.762 0.235 0.000 1.449 52 H HN 0.054 nan 8.280 nan 0.000 0.484 53 V N 4.724 124.503 119.914 -0.225 0.000 2.448 53 V HA 0.123 4.271 4.120 0.047 0.000 0.295 53 V C -0.228 175.745 176.094 -0.202 0.000 1.025 53 V CA -0.182 62.011 62.300 -0.177 0.000 0.859 53 V CB 1.244 33.015 31.823 -0.087 0.000 0.988 53 V HN 0.743 nan 8.190 nan 0.000 0.431 54 F N 1.802 121.854 119.950 0.170 0.000 2.711 54 F HA 0.382 4.936 4.527 0.045 0.000 0.296 54 F C 1.351 177.195 175.800 0.073 0.000 1.096 54 F CA -0.396 57.664 58.000 0.100 0.000 1.280 54 F CB 0.515 39.469 39.000 -0.077 0.000 1.060 54 F HN 0.273 nan 8.300 nan 0.000 0.608 55 R N 0.645 121.274 120.500 0.216 0.000 2.357 55 R HA 0.113 4.481 4.340 0.047 0.000 0.296 55 R C 1.245 177.627 176.300 0.136 0.000 1.052 55 R CA -0.307 55.887 56.100 0.157 0.000 0.988 55 R CB 0.554 30.924 30.300 0.117 0.000 1.025 55 R HN 0.173 nan 8.270 nan 0.000 0.469 56 H N 2.634 121.734 119.070 0.051 0.000 2.321 56 H HA -0.252 4.338 4.556 0.057 0.000 0.295 56 H C 1.520 176.835 175.328 -0.020 0.000 1.102 56 H CA 2.669 58.727 56.048 0.016 0.000 1.266 56 H CB 0.358 30.119 29.762 -0.002 0.000 1.363 56 H HN 0.765 nan 8.280 nan 0.000 0.492 57 A N 0.689 123.571 122.820 0.104 0.000 1.933 57 A HA -0.162 4.186 4.320 0.047 0.000 0.218 57 A C 2.122 179.692 177.584 -0.023 0.000 1.175 57 A CA 1.836 53.894 52.037 0.036 0.000 0.628 57 A CB -0.222 18.812 19.000 0.057 0.000 0.814 57 A HN 0.488 nan 8.150 nan 0.000 0.444 58 D N -0.520 119.875 120.400 -0.010 0.000 2.194 58 D HA -0.026 4.642 4.640 0.047 0.000 0.204 58 D C 2.042 178.281 176.300 -0.102 0.000 0.964 58 D CA 1.017 54.996 54.000 -0.035 0.000 0.846 58 D CB -0.318 40.482 40.800 0.000 0.000 0.962 58 D HN 0.216 nan 8.370 nan 0.000 0.490 59 V N 1.147 120.999 119.914 -0.105 0.000 2.343 59 V HA -0.257 3.891 4.120 0.047 0.000 0.247 59 V C 2.633 178.617 176.094 -0.183 0.000 1.051 59 V CA 1.685 63.898 62.300 -0.144 0.000 1.036 59 V CB -0.454 31.306 31.823 -0.106 0.000 0.654 59 V HN 0.171 nan 8.190 nan 0.000 0.451 60 Q N -0.369 119.285 119.800 -0.244 0.000 2.050 60 Q HA -0.208 4.160 4.340 0.047 0.000 0.202 60 Q C 2.254 178.218 176.000 -0.060 0.000 0.980 60 Q CA 2.296 57.941 55.803 -0.263 0.000 0.840 60 Q CB -0.232 28.279 28.738 -0.377 0.000 0.898 60 Q HN 0.633 nan 8.270 nan 0.000 0.424 61 T N 0.122 114.645 114.554 -0.053 0.000 2.699 61 T HA -0.149 4.229 4.350 0.047 0.000 0.268 61 T C 1.776 176.481 174.700 0.008 0.000 1.036 61 T CA 1.481 63.587 62.100 0.009 0.000 1.147 61 T CB -0.222 68.647 68.868 0.002 0.000 0.862 61 T HN 0.119 nan 8.240 nan 0.000 0.446 62 V N 1.107 120.915 119.914 -0.177 0.000 2.323 62 V HA -0.039 4.108 4.120 0.047 0.000 0.244 62 V C 2.458 178.507 176.094 -0.076 0.000 1.041 62 V CA 1.334 63.355 62.300 -0.465 0.000 1.025 62 V CB -0.554 30.781 31.823 -0.814 0.000 0.656 62 V HN 0.432 nan 8.190 nan 0.000 0.451 63 L N -0.631 120.582 121.223 -0.017 0.000 2.141 63 L HA -0.139 4.229 4.340 0.047 0.000 0.209 63 L C 2.724 179.692 176.870 0.163 0.000 1.094 63 L CA 1.431 56.329 54.840 0.098 0.000 0.763 63 L CB -0.512 41.636 42.059 0.149 0.000 0.908 63 L HN 0.235 nan 8.230 nan 0.000 0.437 64 R N -0.377 120.236 120.500 0.187 0.000 2.115 64 R HA -0.108 4.260 4.340 0.047 0.000 0.230 64 R C 0.534 176.912 176.300 0.131 0.000 1.111 64 R CA 0.726 56.915 56.100 0.148 0.000 0.976 64 R CB -0.090 30.305 30.300 0.159 0.000 0.870 64 R HN 0.122 nan 8.270 nan 0.000 0.445 65 D N 0.233 120.748 120.400 0.191 0.000 2.500 65 D HA 0.004 4.672 4.640 0.047 0.000 0.219 65 D C 0.671 177.081 176.300 0.182 0.000 1.137 65 D CA -0.043 54.070 54.000 0.189 0.000 0.946 65 D CB 0.972 41.942 40.800 0.283 0.000 1.022 65 D HN 0.135 nan 8.370 nan 0.000 0.518 66 T N -0.178 114.439 114.554 0.104 0.000 2.985 66 T HA 0.013 4.391 4.350 0.047 0.000 0.266 66 T C 1.864 176.585 174.700 0.036 0.000 1.076 66 T CA 0.652 62.805 62.100 0.089 0.000 1.135 66 T CB 0.063 68.968 68.868 0.063 0.000 0.890 66 T HN 0.204 nan 8.240 nan 0.000 0.480 67 A N 1.673 124.492 122.820 -0.001 0.000 1.969 67 A HA 0.019 4.367 4.320 0.047 0.000 0.218 67 A C 2.511 180.021 177.584 -0.123 0.000 1.169 67 A CA 1.804 53.812 52.037 -0.047 0.000 0.635 67 A CB -1.098 17.876 19.000 -0.045 0.000 0.810 67 A HN 0.541 nan 8.150 nan 0.000 0.445 68 T N -1.258 113.170 114.554 -0.210 0.000 2.976 68 T HA 0.190 4.568 4.350 0.047 0.000 0.257 68 T C -0.016 174.339 174.700 -0.576 0.000 1.051 68 T CA 0.537 62.342 62.100 -0.492 0.000 1.141 68 T CB -0.170 68.204 68.868 -0.823 0.000 0.881 68 T HN 0.315 nan 8.240 nan 0.000 0.461 69 F N 2.464 122.397 119.950 -0.028 0.000 2.310 69 F HA 0.488 5.045 4.527 0.050 0.000 0.365 69 F C 0.621 176.401 175.800 -0.033 0.000 1.080 69 F CA -1.024 56.955 58.000 -0.035 0.000 1.187 69 F CB 0.654 39.636 39.000 -0.031 0.000 1.465 69 F HN -0.046 nan 8.300 nan 0.000 0.496 70 S N 0.830 116.567 115.700 0.061 0.000 2.576 70 S HA 0.147 4.645 4.470 0.047 0.000 0.276 70 S C 1.079 175.673 174.600 -0.009 0.000 1.339 70 S CA -0.440 57.772 58.200 0.019 0.000 1.039 70 S CB 1.125 64.317 63.200 -0.013 0.000 0.902 70 S HN 0.487 nan 8.310 nan 0.000 0.516 71 S N 1.667 117.332 115.700 -0.059 0.000 2.556 71 S HA 0.132 4.630 4.470 0.047 0.000 0.216 71 S C 0.041 174.549 174.600 -0.153 0.000 0.970 71 S CA -0.283 57.816 58.200 -0.168 0.000 0.912 71 S CB -0.102 62.853 63.200 -0.408 0.000 0.790 71 S HN 0.799 nan 8.310 nan 0.000 0.504 72 D N 2.790 123.136 120.400 -0.090 0.000 2.500 72 D HA 0.183 4.851 4.640 0.047 0.000 0.219 72 D C -1.815 174.443 176.300 -0.069 0.000 1.137 72 D CA -2.036 51.915 54.000 -0.082 0.000 0.946 72 D CB 1.236 42.008 40.800 -0.047 0.000 1.022 72 D HN 0.106 nan 8.370 nan 0.000 0.518 73 P HA -0.032 nan 4.420 nan 0.000 0.233 73 P C 0.697 177.970 177.300 -0.046 0.000 1.167 73 P CA 0.458 63.523 63.100 -0.059 0.000 0.770 73 P CB -0.239 31.421 31.700 -0.066 0.000 0.837 74 T N -2.311 112.213 114.554 -0.051 0.000 4.313 74 T HA 0.294 4.672 4.350 0.047 0.000 0.272 74 T C 0.889 175.571 174.700 -0.031 0.000 1.298 74 T CA -0.332 61.745 62.100 -0.039 0.000 1.124 74 T CB -0.684 68.159 68.868 -0.041 0.000 1.352 74 T HN 0.003 nan 8.240 nan 0.000 1.013 75 R N 0.697 121.181 120.500 -0.027 0.000 2.556 75 R HA 0.208 4.576 4.340 0.047 0.000 0.276 75 R C 1.711 178.001 176.300 -0.018 0.000 0.931 75 R CA 0.352 56.438 56.100 -0.023 0.000 1.061 75 R CB 0.738 31.023 30.300 -0.025 0.000 1.432 75 R HN 0.520 nan 8.270 nan 0.000 0.547 76 V N -0.773 119.132 119.914 -0.015 0.000 3.636 76 V HA 0.337 4.485 4.120 0.047 0.000 0.279 76 V C 0.547 176.635 176.094 -0.010 0.000 1.263 76 V CA 0.585 62.879 62.300 -0.010 0.000 1.182 76 V CB -0.511 31.309 31.823 -0.004 0.000 0.955 76 V HN 0.051 nan 8.190 nan 0.000 0.443 77 I N 0.528 121.091 120.570 -0.012 0.000 2.913 77 I HA 0.393 4.591 4.170 0.047 0.000 0.302 77 I C 0.007 176.117 176.117 -0.012 0.000 1.246 77 I CA -0.887 60.407 61.300 -0.011 0.000 1.010 77 I CB 2.635 40.628 38.000 -0.011 0.000 1.259 77 I HN 0.420 nan 8.210 nan 0.000 0.434 78 E N 3.865 124.059 120.200 -0.010 0.000 2.409 78 E HA 0.271 4.649 4.350 0.047 0.000 0.257 78 E C 0.826 177.420 176.600 -0.011 0.000 1.150 78 E CA 0.158 56.552 56.400 -0.010 0.000 0.942 78 E CB 0.238 29.933 29.700 -0.009 0.000 0.979 78 E HN 0.894 nan 8.360 nan 0.000 0.447 79 G N 0.510 109.304 108.800 -0.010 0.000 2.244 79 G HA2 -0.298 3.690 3.960 0.047 0.000 0.274 79 G HA3 -0.298 3.690 3.960 0.047 0.000 0.274 79 G C 0.195 175.088 174.900 -0.011 0.000 1.002 79 G CA 0.481 45.575 45.100 -0.010 0.000 0.740 79 G HN 0.907 nan 8.290 nan 0.000 0.516 80 A N -0.273 122.540 122.820 -0.013 0.000 2.304 80 A HA 0.883 5.231 4.320 0.047 0.000 0.323 80 A C 0.293 177.867 177.584 -0.017 0.000 1.195 80 A CA 0.563 52.590 52.037 -0.015 0.000 0.826 80 A CB 1.376 20.365 19.000 -0.017 0.000 1.184 80 A HN 1.799 nan 8.150 nan 0.000 0.496 81 S N 2.548 118.238 115.700 -0.017 0.000 2.546 81 S HA 0.824 5.322 4.470 0.047 0.000 0.274 81 S C -2.968 171.619 174.600 -0.021 0.000 1.121 81 S CA -1.249 56.941 58.200 -0.017 0.000 0.887 81 S CB 1.394 64.587 63.200 -0.012 0.000 1.094 81 S HN 0.610 nan 8.310 nan 0.000 0.474 82 P HA 0.176 nan 4.420 nan 0.000 0.269 82 P C 0.046 177.329 177.300 -0.028 0.000 1.215 82 P CA -0.112 62.965 63.100 -0.039 0.000 0.780 82 P CB -0.080 31.590 31.700 -0.050 0.000 0.898 83 T N 0.714 115.249 114.554 -0.032 0.000 2.908 83 T HA 0.180 4.558 4.350 0.047 0.000 0.301 83 T C -1.935 172.766 174.700 0.002 0.000 1.019 83 T CA -1.159 60.933 62.100 -0.013 0.000 1.152 83 T CB -0.653 68.210 68.868 -0.009 0.000 0.966 83 T HN 0.353 nan 8.240 nan 0.000 0.540 84 P HA 0.339 nan 4.420 nan 0.000 0.275 84 P C 1.111 178.441 177.300 0.050 0.000 1.228 84 P CA 0.312 63.426 63.100 0.023 0.000 0.786 84 P CB 0.787 32.496 31.700 0.015 0.000 0.927 85 G N 1.695 110.533 108.800 0.063 0.000 2.253 85 G HA2 -0.216 3.772 3.960 0.047 0.000 0.251 85 G HA3 -0.216 3.772 3.960 0.047 0.000 0.251 85 G C 0.266 175.280 174.900 0.189 0.000 0.998 85 G CA -0.151 45.019 45.100 0.117 0.000 0.621 85 G HN 0.465 nan 8.290 nan 0.000 0.524 86 M N 0.938 120.620 119.600 0.136 0.000 2.664 86 M HA 0.463 4.971 4.480 0.047 0.000 0.332 86 M C 1.500 177.894 176.300 0.158 0.000 1.354 86 M CA -0.891 54.513 55.300 0.172 0.000 1.399 86 M CB 0.001 32.650 32.600 0.081 0.000 1.224 86 M HN 0.282 nan 8.290 nan 0.000 0.479 87 I N 3.037 123.786 120.570 0.299 0.000 2.676 87 I HA -0.245 3.953 4.170 0.047 0.000 0.259 87 I C 2.423 178.783 176.117 0.405 0.000 1.194 87 I CA 1.087 62.580 61.300 0.321 0.000 1.473 87 I CB -0.070 38.114 38.000 0.307 0.000 1.096 87 I HN 0.649 nan 8.210 nan 0.000 0.443 88 H N -0.052 119.120 119.070 0.169 0.000 2.559 88 H HA 0.035 4.619 4.556 0.046 0.000 0.273 88 H C 0.773 176.009 175.328 -0.153 0.000 1.000 88 H CA 0.745 56.791 56.048 -0.003 0.000 1.195 88 H CB -0.265 29.452 29.762 -0.075 0.000 1.368 88 H HN 0.508 nan 8.280 nan 0.000 0.592 89 E N 0.812 120.764 120.200 -0.413 0.000 2.660 89 E HA 0.247 4.625 4.350 0.047 0.000 0.216 89 E C 0.166 176.684 176.600 -0.136 0.000 0.986 89 E CA -0.171 55.998 56.400 -0.386 0.000 1.037 89 E CB 0.843 30.248 29.700 -0.491 0.000 1.041 89 E HN 0.558 nan 8.360 nan 0.000 0.480 90 I N -2.193 118.391 120.570 0.024 0.000 2.608 90 I HA 0.524 4.722 4.170 0.047 0.000 0.295 90 I C -0.911 175.320 176.117 0.189 0.000 1.049 90 I CA -0.994 60.368 61.300 0.104 0.000 1.063 90 I CB 2.187 40.261 38.000 0.122 0.000 1.248 90 I HN -0.325 nan 8.210 nan 0.000 0.424 91 D N 5.229 125.699 120.400 0.117 0.000 2.332 91 D HA 0.444 5.112 4.640 0.047 0.000 0.252 91 D C -2.570 173.801 176.300 0.120 0.000 1.050 91 D CA -1.300 52.765 54.000 0.108 0.000 0.970 91 D CB 1.180 42.013 40.800 0.056 0.000 1.141 91 D HN 0.356 nan 8.370 nan 0.000 0.485 92 P HA 0.025 nan 4.420 nan 0.000 0.266 92 P C -1.700 175.627 177.300 0.045 0.000 1.193 92 P CA -0.597 62.547 63.100 0.074 0.000 0.770 92 P CB 0.134 31.859 31.700 0.042 0.000 0.836 93 P HA 0.018 nan 4.420 nan 0.000 0.239 93 P C 0.771 178.091 177.300 0.033 0.000 1.188 93 P CA 0.778 63.895 63.100 0.030 0.000 0.794 93 P CB 0.381 32.088 31.700 0.011 0.000 0.937 94 E N -0.426 119.799 120.200 0.041 0.000 2.130 94 E HA -0.233 4.145 4.350 0.047 0.000 0.196 94 E C 2.161 178.785 176.600 0.039 0.000 0.998 94 E CA 1.079 57.499 56.400 0.033 0.000 0.806 94 E CB -1.123 28.601 29.700 0.039 0.000 0.738 94 E HN 0.474 nan 8.360 nan 0.000 0.459 95 H N 0.475 119.541 119.070 -0.005 0.000 2.290 95 H HA -0.115 4.469 4.556 0.047 0.000 0.298 95 H C 2.192 177.496 175.328 -0.038 0.000 1.087 95 H CA 1.639 57.676 56.048 -0.017 0.000 1.291 95 H CB 0.199 29.928 29.762 -0.055 0.000 1.369 95 H HN -0.047 nan 8.280 nan 0.000 0.492 96 R N 0.904 121.329 120.500 -0.124 0.000 2.094 96 R HA -0.121 4.247 4.340 0.047 0.000 0.239 96 R C 2.522 178.729 176.300 -0.155 0.000 1.137 96 R CA 1.585 57.596 56.100 -0.148 0.000 0.943 96 R CB -1.251 29.023 30.300 -0.044 0.000 0.850 96 R HN 0.486 nan 8.270 nan 0.000 0.433 97 A N 0.629 123.390 122.820 -0.098 0.000 1.892 97 A HA -0.193 4.155 4.320 0.047 0.000 0.218 97 A C 2.217 179.737 177.584 -0.105 0.000 1.188 97 A CA 1.628 53.617 52.037 -0.080 0.000 0.631 97 A CB -0.637 18.334 19.000 -0.050 0.000 0.822 97 A HN 0.321 nan 8.150 nan 0.000 0.447 98 L N -0.869 120.277 121.223 -0.128 0.000 2.179 98 L HA 0.049 4.417 4.340 0.047 0.000 0.208 98 L C 2.362 179.123 176.870 -0.183 0.000 1.096 98 L CA 1.690 56.452 54.840 -0.131 0.000 0.779 98 L CB -0.489 41.517 42.059 -0.088 0.000 0.922 98 L HN 0.397 nan 8.230 nan 0.000 0.443 99 R N -0.357 119.981 120.500 -0.270 0.000 2.075 99 R HA -0.132 4.236 4.340 0.047 0.000 0.232 99 R C 2.209 178.419 176.300 -0.150 0.000 1.126 99 R CA 1.347 57.301 56.100 -0.243 0.000 0.963 99 R CB -0.031 30.055 30.300 -0.355 0.000 0.858 99 R HN 0.359 nan 8.270 nan 0.000 0.435 100 K N -0.065 120.256 120.400 -0.132 0.000 2.044 100 K HA -0.159 4.189 4.320 0.047 0.000 0.210 100 K C 2.060 178.610 176.600 -0.082 0.000 1.049 100 K CA 1.926 58.162 56.287 -0.085 0.000 0.927 100 K CB -0.277 32.180 32.500 -0.071 0.000 0.713 100 K HN 0.038 nan 8.250 nan 0.000 0.443 101 V N 1.197 121.051 119.914 -0.100 0.000 2.233 101 V HA -0.260 3.888 4.120 0.047 0.000 0.247 101 V C 2.386 178.404 176.094 -0.128 0.000 1.050 101 V CA 1.797 64.037 62.300 -0.101 0.000 1.010 101 V CB -0.578 31.182 31.823 -0.105 0.000 0.637 101 V HN 0.095 nan 8.190 nan 0.000 0.444 102 V N 0.050 119.844 119.914 -0.201 0.000 2.255 102 V HA -0.269 3.879 4.120 0.047 0.000 0.247 102 V C 2.616 178.642 176.094 -0.112 0.000 1.051 102 V CA 2.403 64.515 62.300 -0.313 0.000 1.018 102 V CB -0.874 30.574 31.823 -0.626 0.000 0.641 102 V HN 0.565 nan 8.190 nan 0.000 0.445 103 S N 0.867 116.545 115.700 -0.037 0.000 2.380 103 S HA -0.257 4.241 4.470 0.047 0.000 0.229 103 S C 2.194 176.807 174.600 0.022 0.000 1.043 103 S CA 1.917 60.145 58.200 0.046 0.000 1.038 103 S CB -0.540 62.673 63.200 0.022 0.000 0.872 103 S HN 0.844 nan 8.310 nan 0.000 0.456 104 S N 1.585 117.275 115.700 -0.016 0.000 2.442 104 S HA 0.065 4.563 4.470 0.047 0.000 0.236 104 S C 1.750 176.349 174.600 -0.002 0.000 1.007 104 S CA 0.851 59.042 58.200 -0.015 0.000 0.965 104 S CB -0.301 62.882 63.200 -0.028 0.000 0.773 104 S HN 0.527 nan 8.310 nan 0.000 0.504 105 A N 0.542 123.369 122.820 0.011 0.000 1.901 105 A HA 0.412 4.760 4.320 0.047 0.000 0.210 105 A C 0.901 178.563 177.584 0.129 0.000 1.208 105 A CA 0.150 52.215 52.037 0.046 0.000 0.644 105 A CB -0.481 18.531 19.000 0.019 0.000 0.863 105 A HN 0.571 nan 8.150 nan 0.000 0.454 106 F N 3.079 123.018 119.950 -0.018 0.000 2.467 106 F HA 0.366 4.921 4.527 0.046 0.000 0.349 106 F C 0.720 176.536 175.800 0.028 0.000 1.182 106 F CA -0.518 57.505 58.000 0.037 0.000 1.279 106 F CB -0.057 38.999 39.000 0.094 0.000 1.626 106 F HN 0.129 nan 8.300 nan 0.000 0.596 107 T N 2.028 116.475 114.554 -0.178 0.000 2.918 107 T HA 0.360 4.738 4.350 0.047 0.000 0.283 107 T C -1.771 172.783 174.700 -0.243 0.000 1.001 107 T CA -1.959 60.048 62.100 -0.156 0.000 1.041 107 T CB 1.583 70.403 68.868 -0.079 0.000 1.028 107 T HN 0.143 nan 8.240 nan 0.000 0.511 108 P HA -0.134 nan 4.420 nan 0.000 0.217 108 P C 1.599 178.828 177.300 -0.118 0.000 1.151 108 P CA 0.902 63.922 63.100 -0.133 0.000 0.849 108 P CB 0.102 31.759 31.700 -0.072 0.000 0.787 109 R N -0.939 119.504 120.500 -0.095 0.000 2.062 109 R HA -0.001 4.367 4.340 0.047 0.000 0.226 109 R C 2.138 178.393 176.300 -0.074 0.000 1.125 109 R CA 1.941 58.001 56.100 -0.066 0.000 0.966 109 R CB -1.605 28.667 30.300 -0.046 0.000 0.861 109 R HN -0.024 nan 8.270 nan 0.000 0.433 110 T N 1.057 115.553 114.554 -0.097 0.000 2.649 110 T HA -0.203 4.175 4.350 0.047 0.000 0.268 110 T C 1.709 176.345 174.700 -0.106 0.000 1.036 110 T CA 2.148 64.191 62.100 -0.096 0.000 1.157 110 T CB -0.257 68.539 68.868 -0.119 0.000 0.861 110 T HN 0.205 nan 8.240 nan 0.000 0.445 111 I N 1.061 121.528 120.570 -0.172 0.000 2.277 111 I HA -0.112 4.086 4.170 0.047 0.000 0.243 111 I C 2.725 178.805 176.117 -0.061 0.000 1.094 111 I CA 1.273 62.489 61.300 -0.141 0.000 1.393 111 I CB -0.383 37.483 38.000 -0.223 0.000 1.078 111 I HN 0.276 nan 8.210 nan 0.000 0.417 112 S N -0.050 115.616 115.700 -0.058 0.000 2.469 112 S HA -0.160 4.338 4.470 0.047 0.000 0.238 112 S C 1.338 175.930 174.600 -0.014 0.000 0.998 112 S CA 1.198 59.382 58.200 -0.027 0.000 0.957 112 S CB -0.430 62.754 63.200 -0.026 0.000 0.764 112 S HN 0.341 nan 8.310 nan 0.000 0.514 113 D N 1.043 121.432 120.400 -0.019 0.000 2.349 113 D HA 0.225 4.893 4.640 0.047 0.000 0.224 113 D C 1.285 177.588 176.300 0.004 0.000 1.029 113 D CA 0.275 54.271 54.000 -0.006 0.000 0.879 113 D CB -0.057 40.738 40.800 -0.009 0.000 0.906 113 D HN 0.428 nan 8.370 nan 0.000 0.528 114 L N 0.074 121.301 121.223 0.007 0.000 2.567 114 L HA 0.103 4.471 4.340 0.047 0.000 0.225 114 L C 2.149 179.034 176.870 0.024 0.000 1.119 114 L CA 0.167 55.019 54.840 0.021 0.000 0.871 114 L CB 0.102 42.179 42.059 0.029 0.000 1.036 114 L HN -0.026 nan 8.230 nan 0.000 0.459 115 E N 1.489 121.700 120.200 0.019 0.000 2.038 115 E HA -0.217 4.161 4.350 0.047 0.000 0.195 115 E C -0.602 176.011 176.600 0.023 0.000 1.000 115 E CA 1.615 58.029 56.400 0.023 0.000 0.803 115 E CB -0.558 29.154 29.700 0.020 0.000 0.750 115 E HN 0.264 nan 8.360 nan 0.000 0.448 116 P HA -0.208 nan 4.420 nan 0.000 0.216 116 P C 1.284 178.595 177.300 0.018 0.000 1.150 116 P CA 1.275 64.385 63.100 0.017 0.000 0.843 116 P CB -0.178 31.529 31.700 0.013 0.000 0.787 117 R N -0.205 120.308 120.500 0.022 0.000 2.066 117 R HA -0.007 4.361 4.340 0.047 0.000 0.232 117 R C 2.504 178.820 176.300 0.027 0.000 1.131 117 R CA 0.920 57.035 56.100 0.025 0.000 0.955 117 R CB -1.146 29.172 30.300 0.031 0.000 0.851 117 R HN 0.230 nan 8.270 nan 0.000 0.432 118 I N 0.283 120.871 120.570 0.030 0.000 2.113 118 I HA -0.376 3.821 4.170 0.047 0.000 0.242 118 I C 2.807 178.941 176.117 0.030 0.000 1.064 118 I CA 1.640 62.959 61.300 0.032 0.000 1.320 118 I CB -0.353 37.671 38.000 0.039 0.000 1.028 118 I HN 0.192 nan 8.210 nan 0.000 0.406 119 R N 0.659 121.176 120.500 0.028 0.000 2.091 119 R HA -0.254 4.113 4.340 0.047 0.000 0.238 119 R C 2.016 178.326 176.300 0.018 0.000 1.136 119 R CA 2.358 58.474 56.100 0.026 0.000 0.959 119 R CB -0.291 30.023 30.300 0.023 0.000 0.856 119 R HN 0.353 nan 8.270 nan 0.000 0.437 120 D N -0.641 119.768 120.400 0.014 0.000 2.078 120 D HA -0.142 4.526 4.640 0.047 0.000 0.193 120 D C 1.849 178.152 176.300 0.005 0.000 0.990 120 D CA 1.720 55.724 54.000 0.008 0.000 0.827 120 D CB 0.014 40.820 40.800 0.009 0.000 0.975 120 D HN 0.077 nan 8.370 nan 0.000 0.451 121 V N 0.133 120.052 119.914 0.009 0.000 2.332 121 V HA -0.269 3.879 4.120 0.047 0.000 0.248 121 V C 2.558 178.654 176.094 0.002 0.000 1.055 121 V CA 2.166 64.469 62.300 0.004 0.000 1.038 121 V CB -1.016 30.811 31.823 0.007 0.000 0.651 121 V HN 0.319 nan 8.190 nan 0.000 0.450 122 T N -0.389 114.173 114.554 0.013 0.000 2.652 122 T HA -0.266 4.112 4.350 0.047 0.000 0.267 122 T C 2.090 176.799 174.700 0.014 0.000 1.039 122 T CA 2.019 64.134 62.100 0.024 0.000 1.153 122 T CB -0.281 68.613 68.868 0.043 0.000 0.863 122 T HN 0.334 nan 8.240 nan 0.000 0.428 123 R N 0.910 121.411 120.500 0.003 0.000 2.096 123 R HA -0.024 4.344 4.340 0.047 0.000 0.235 123 R C 2.585 178.866 176.300 -0.032 0.000 1.127 123 R CA 1.507 57.596 56.100 -0.018 0.000 0.968 123 R CB -0.368 29.921 30.300 -0.018 0.000 0.861 123 R HN 0.219 nan 8.270 nan 0.000 0.440 124 S N 0.111 115.797 115.700 -0.023 0.000 2.371 124 S HA -0.012 4.486 4.470 0.047 0.000 0.224 124 S C 1.741 176.319 174.600 -0.036 0.000 1.029 124 S CA 0.981 59.163 58.200 -0.029 0.000 0.978 124 S CB -0.124 63.063 63.200 -0.021 0.000 0.833 124 S HN 0.250 nan 8.310 nan 0.000 0.466 125 L N 1.036 122.241 121.223 -0.029 0.000 2.056 125 L HA -0.039 4.329 4.340 0.047 0.000 0.207 125 L C 2.228 179.060 176.870 -0.063 0.000 1.078 125 L CA 1.018 55.836 54.840 -0.037 0.000 0.749 125 L CB -0.540 41.506 42.059 -0.022 0.000 0.901 125 L HN 0.277 nan 8.230 nan 0.000 0.433 126 L N -0.330 120.869 121.223 -0.041 0.000 2.141 126 L HA -0.167 4.201 4.340 0.047 0.000 0.209 126 L C 2.797 179.606 176.870 -0.102 0.000 1.094 126 L CA 0.930 55.742 54.840 -0.046 0.000 0.763 126 L CB -0.587 41.487 42.059 0.025 0.000 0.908 126 L HN 0.247 nan 8.230 nan 0.000 0.437 127 A N -0.758 122.005 122.820 -0.095 0.000 2.015 127 A HA -0.191 4.157 4.320 0.047 0.000 0.219 127 A C 1.709 179.242 177.584 -0.085 0.000 1.163 127 A CA 1.627 53.604 52.037 -0.099 0.000 0.646 127 A CB -0.262 18.693 19.000 -0.075 0.000 0.806 127 A HN 0.343 nan 8.150 nan 0.000 0.448 128 D N -0.464 119.884 120.400 -0.087 0.000 2.349 128 D HA 0.284 4.952 4.640 0.047 0.000 0.214 128 D C 0.484 176.716 176.300 -0.113 0.000 1.063 128 D CA 0.613 54.567 54.000 -0.077 0.000 0.847 128 D CB 0.217 40.982 40.800 -0.058 0.000 0.933 128 D HN 0.364 nan 8.370 nan 0.000 0.513 129 A N 0.848 123.545 122.820 -0.204 0.000 2.302 129 A HA 0.569 4.917 4.320 0.047 0.000 0.295 129 A C 1.161 178.631 177.584 -0.191 0.000 1.235 129 A CA -0.282 51.507 52.037 -0.414 0.000 0.876 129 A CB 0.673 19.018 19.000 -1.091 0.000 1.133 129 A HN 0.113 nan 8.150 nan 0.000 0.533 130 G N 1.315 110.088 108.800 -0.047 0.000 2.394 130 G HA2 0.180 4.168 3.960 0.047 0.000 0.256 130 G HA3 0.180 4.168 3.960 0.047 0.000 0.256 130 G C 0.616 175.663 174.900 0.245 0.000 1.504 130 G CA 0.518 45.676 45.100 0.096 0.000 1.051 130 G HN 0.804 nan 8.290 nan 0.000 0.550 131 E N -1.441 118.894 120.200 0.226 0.000 2.476 131 E HA 0.221 4.599 4.350 0.047 0.000 0.199 131 E C 0.450 177.134 176.600 0.140 0.000 1.021 131 E CA 0.204 56.729 56.400 0.208 0.000 0.907 131 E CB 0.526 30.302 29.700 0.126 0.000 0.974 131 E HN 0.179 nan 8.360 nan 0.000 0.489 132 S N 0.665 116.481 115.700 0.194 0.000 2.707 132 S HA 0.590 5.088 4.470 0.047 0.000 0.303 132 S C -1.067 173.664 174.600 0.218 0.000 1.132 132 S CA -0.840 57.402 58.200 0.070 0.000 1.046 132 S CB 0.283 63.497 63.200 0.024 0.000 1.004 132 S HN 0.319 nan 8.310 nan 0.000 0.483 133 F N 1.024 120.939 119.950 -0.058 0.000 2.807 133 F HA 0.591 5.146 4.527 0.047 0.000 0.316 133 F C -1.418 174.366 175.800 -0.027 0.000 1.162 133 F CA -1.156 56.826 58.000 -0.030 0.000 0.910 133 F CB 0.498 39.493 39.000 -0.008 0.000 1.314 133 F HN 0.406 nan 8.300 nan 0.000 0.454 134 D N 1.716 122.195 120.400 0.131 0.000 2.313 134 D HA 0.252 4.920 4.640 0.047 0.000 0.239 134 D C 0.573 177.000 176.300 0.212 0.000 1.142 134 D CA -0.343 53.695 54.000 0.063 0.000 0.847 134 D CB 1.650 42.505 40.800 0.093 0.000 1.082 134 D HN 0.728 nan 8.370 nan 0.000 0.480 135 L N 4.669 125.930 121.223 0.063 0.000 2.131 135 L HA -0.113 4.255 4.340 0.047 0.000 0.210 135 L C 1.736 178.737 176.870 0.218 0.000 1.092 135 L CA 1.453 56.408 54.840 0.192 0.000 0.759 135 L CB -0.166 41.934 42.059 0.069 0.000 0.903 135 L HN 0.486 nan 8.230 nan 0.000 0.435 136 V N -0.450 119.578 119.914 0.189 0.000 2.261 136 V HA -0.281 3.867 4.120 0.047 0.000 0.246 136 V C 2.233 178.503 176.094 0.293 0.000 1.047 136 V CA 2.024 64.451 62.300 0.211 0.000 1.015 136 V CB -0.790 31.122 31.823 0.148 0.000 0.642 136 V HN 0.415 nan 8.190 nan 0.000 0.446 137 D N -0.246 120.339 120.400 0.309 0.000 2.178 137 D HA -0.110 4.558 4.640 0.047 0.000 0.201 137 D C 2.079 178.560 176.300 0.302 0.000 0.980 137 D CA 1.106 55.306 54.000 0.333 0.000 0.842 137 D CB -0.082 40.868 40.800 0.251 0.000 0.948 137 D HN 0.322 nan 8.370 nan 0.000 0.472 138 V N -0.007 120.065 119.914 0.264 0.000 2.426 138 V HA -0.062 4.085 4.120 0.047 0.000 0.242 138 V C 1.888 178.056 176.094 0.123 0.000 1.036 138 V CA 0.952 63.360 62.300 0.179 0.000 1.044 138 V CB 0.250 32.183 31.823 0.183 0.000 0.688 138 V HN 0.089 nan 8.190 nan 0.000 0.462 139 L N -0.739 120.582 121.223 0.164 0.000 2.614 139 L HA 0.499 4.867 4.340 0.047 0.000 0.185 139 L C 2.162 179.071 176.870 0.065 0.000 1.098 139 L CA 1.759 56.661 54.840 0.103 0.000 0.852 139 L CB -0.641 41.513 42.059 0.159 0.000 1.213 139 L HN 0.108 nan 8.230 nan 0.000 0.491 140 A N -0.764 122.127 122.820 0.119 0.000 2.067 140 A HA -0.138 4.210 4.320 0.047 0.000 0.219 140 A C 2.030 179.660 177.584 0.077 0.000 1.158 140 A CA 1.679 53.775 52.037 0.099 0.000 0.661 140 A CB -0.874 18.200 19.000 0.124 0.000 0.801 140 A HN 0.586 nan 8.150 nan 0.000 0.452 141 F N 1.118 121.039 119.950 -0.049 0.000 2.243 141 F HA 0.176 4.730 4.527 0.046 0.000 0.287 141 F C -1.256 174.382 175.800 -0.269 0.000 1.067 141 F CA 0.432 58.295 58.000 -0.228 0.000 1.304 141 F CB -0.834 38.087 39.000 -0.132 0.000 1.087 141 F HN 0.077 nan 8.300 nan 0.000 0.513 142 P HA -0.060 nan 4.420 nan 0.000 0.224 142 P C 1.976 179.021 177.300 -0.425 0.000 1.157 142 P CA 0.847 63.388 63.100 -0.931 0.000 0.799 142 P CB -0.114 31.258 31.700 -0.546 0.000 0.809 143 L N 2.088 123.167 121.223 -0.241 0.000 1.951 143 L HA -0.106 4.262 4.340 0.047 0.000 0.222 143 L C -0.910 175.896 176.870 -0.108 0.000 1.078 143 L CA 3.065 57.836 54.840 -0.114 0.000 0.778 143 L CB -2.527 39.509 42.059 -0.038 0.000 0.893 143 L HN 0.018 nan 8.230 nan 0.000 0.436 144 P HA -0.127 nan 4.420 nan 0.000 0.220 144 P C 1.865 179.139 177.300 -0.042 0.000 1.148 144 P CA 2.167 65.243 63.100 -0.040 0.000 0.803 144 P CB -0.405 31.291 31.700 -0.007 0.000 0.782 145 V N -2.976 116.853 119.914 -0.141 0.000 2.719 145 V HA -0.084 4.064 4.120 0.047 0.000 0.252 145 V C 2.112 178.191 176.094 -0.026 0.000 1.065 145 V CA 2.098 64.356 62.300 -0.071 0.000 1.086 145 V CB -2.167 29.585 31.823 -0.119 0.000 0.700 145 V HN -0.009 nan 8.190 nan 0.000 0.467 146 T N 1.421 115.931 114.554 -0.073 0.000 2.737 146 T HA -0.012 4.366 4.350 0.047 0.000 0.265 146 T C 1.927 176.637 174.700 0.017 0.000 1.038 146 T CA 2.051 64.142 62.100 -0.015 0.000 1.144 146 T CB -0.266 68.609 68.868 0.012 0.000 0.866 146 T HN 0.355 nan 8.240 nan 0.000 0.434 147 I N 1.070 121.655 120.570 0.026 0.000 2.202 147 I HA -0.071 4.127 4.170 0.047 0.000 0.242 147 I C 2.539 178.708 176.117 0.085 0.000 1.091 147 I CA 1.017 62.351 61.300 0.057 0.000 1.368 147 I CB -1.312 36.721 38.000 0.055 0.000 1.058 147 I HN 0.109 nan 8.210 nan 0.000 0.410 148 V N 1.238 121.214 119.914 0.104 0.000 2.515 148 V HA -0.183 3.965 4.120 0.047 0.000 0.250 148 V C 2.757 178.963 176.094 0.187 0.000 1.058 148 V CA 1.487 63.882 62.300 0.159 0.000 1.064 148 V CB -1.059 30.865 31.823 0.168 0.000 0.675 148 V HN 0.425 nan 8.190 nan 0.000 0.461 149 A N -0.265 122.642 122.820 0.145 0.000 1.898 149 A HA -0.221 4.127 4.320 0.047 0.000 0.216 149 A C 2.194 179.732 177.584 -0.077 0.000 1.181 149 A CA 1.800 53.800 52.037 -0.062 0.000 0.620 149 A CB -0.400 18.324 19.000 -0.460 0.000 0.819 149 A HN 0.585 nan 8.150 nan 0.000 0.442 150 E N -0.791 119.415 120.200 0.010 0.000 2.072 150 E HA -0.148 4.230 4.350 0.047 0.000 0.191 150 E C 1.940 178.588 176.600 0.080 0.000 0.985 150 E CA 1.042 57.494 56.400 0.088 0.000 0.801 150 E CB -0.220 29.548 29.700 0.113 0.000 0.750 150 E HN 0.487 nan 8.360 nan 0.000 0.452 151 L N 0.734 122.013 121.223 0.094 0.000 2.012 151 L HA -0.183 4.185 4.340 0.047 0.000 0.210 151 L C 1.820 178.758 176.870 0.113 0.000 1.073 151 L CA 1.600 56.510 54.840 0.116 0.000 0.748 151 L CB -0.318 41.838 42.059 0.163 0.000 0.891 151 L HN 0.130 nan 8.230 nan 0.000 0.431 152 L N 0.837 122.125 121.223 0.108 0.000 2.622 152 L HA 0.205 4.573 4.340 0.047 0.000 0.233 152 L C 1.723 178.614 176.870 0.036 0.000 1.156 152 L CA 1.050 55.942 54.840 0.086 0.000 0.866 152 L CB -1.739 40.381 42.059 0.101 0.000 0.980 152 L HN 0.571 nan 8.230 nan 0.000 0.448 153 G N 0.211 109.035 108.800 0.040 0.000 2.258 153 G HA2 -0.290 3.698 3.960 0.047 0.000 0.274 153 G HA3 -0.290 3.698 3.960 0.047 0.000 0.274 153 G C 0.277 175.188 174.900 0.018 0.000 1.021 153 G CA 0.618 45.740 45.100 0.037 0.000 0.798 153 G HN 0.467 nan 8.290 nan 0.000 0.507 154 L N -1.877 119.337 121.223 -0.016 0.000 2.305 154 L HA 0.789 5.157 4.340 0.047 0.000 0.281 154 L C -1.798 175.126 176.870 0.090 0.000 1.085 154 L CA -2.508 52.319 54.840 -0.021 0.000 0.813 154 L CB 0.253 42.228 42.059 -0.141 0.000 1.157 154 L HN -0.151 nan 8.230 nan 0.000 0.436 155 P HA 0.053 nan 4.420 nan 0.000 0.264 155 P C -2.063 175.285 177.300 0.080 0.000 1.179 155 P CA -0.679 62.471 63.100 0.083 0.000 0.763 155 P CB 0.025 31.763 31.700 0.064 0.000 0.806 156 P HA -0.131 nan 4.420 nan 0.000 0.217 156 P C 1.608 178.732 177.300 -0.292 0.000 1.151 156 P CA 1.218 63.986 63.100 -0.553 0.000 0.828 156 P CB -0.281 31.178 31.700 -0.402 0.000 0.788 157 M N 0.125 119.655 119.600 -0.117 0.000 2.089 157 M HA -0.242 4.266 4.480 0.047 0.000 0.257 157 M C 0.716 176.999 176.300 -0.029 0.000 1.071 157 M CA 2.176 57.441 55.300 -0.059 0.000 1.096 157 M CB -0.673 31.908 32.600 -0.032 0.000 1.330 157 M HN -0.204 nan 8.290 nan 0.000 0.403 158 D N -0.913 119.490 120.400 0.005 0.000 2.355 158 D HA -0.049 4.619 4.640 0.047 0.000 0.218 158 D C 1.469 177.783 176.300 0.023 0.000 1.004 158 D CA 0.538 54.514 54.000 -0.041 0.000 0.880 158 D CB -0.171 40.578 40.800 -0.085 0.000 0.911 158 D HN 0.580 nan 8.370 nan 0.000 0.528 159 H N -0.037 118.998 119.070 -0.058 0.000 2.353 159 H HA -0.185 4.399 4.556 0.047 0.000 0.298 159 H C 1.929 177.286 175.328 0.049 0.000 1.103 159 H CA 1.214 57.280 56.048 0.030 0.000 1.293 159 H CB 0.266 30.044 29.762 0.027 0.000 1.372 159 H HN 0.163 nan 8.280 nan 0.000 0.501 160 E N 1.366 121.637 120.200 0.117 0.000 2.048 160 E HA -0.286 4.092 4.350 0.047 0.000 0.202 160 E C 2.320 178.888 176.600 -0.053 0.000 1.021 160 E CA 1.880 58.301 56.400 0.034 0.000 0.825 160 E CB -0.160 29.535 29.700 -0.009 0.000 0.756 160 E HN 0.253 nan 8.360 nan 0.000 0.454 161 Q N -0.654 119.030 119.800 -0.193 0.000 2.226 161 Q HA -0.080 4.288 4.340 0.047 0.000 0.204 161 Q C 1.907 177.610 176.000 -0.496 0.000 0.975 161 Q CA 1.599 57.100 55.803 -0.503 0.000 0.866 161 Q CB -0.515 27.778 28.738 -0.741 0.000 0.915 161 Q HN 0.513 nan 8.270 nan 0.000 0.440 162 F N -0.763 118.980 119.950 -0.346 0.000 2.026 162 F HA -0.169 4.387 4.527 0.047 0.000 0.296 162 F C 2.008 177.835 175.800 0.046 0.000 1.133 162 F CA 1.187 59.119 58.000 -0.112 0.000 1.188 162 F CB -0.532 38.436 39.000 -0.052 0.000 0.968 162 F HN 0.299 nan 8.300 nan 0.000 0.476 163 G N -0.135 108.767 108.800 0.170 0.000 2.545 163 G HA2 -0.351 3.637 3.960 0.047 0.000 0.217 163 G HA3 -0.351 3.637 3.960 0.047 0.000 0.217 163 G C 1.179 176.191 174.900 0.188 0.000 1.218 163 G CA 1.237 46.500 45.100 0.271 0.000 0.787 163 G HN 0.315 nan 8.290 nan 0.000 0.571 164 D N 0.037 120.478 120.400 0.068 0.000 2.569 164 D HA -0.194 4.473 4.640 0.047 0.000 0.191 164 D C 2.035 178.374 176.300 0.066 0.000 1.042 164 D CA 1.557 55.543 54.000 -0.023 0.000 0.873 164 D CB -0.419 40.254 40.800 -0.212 0.000 0.946 164 D HN 0.493 nan 8.370 nan 0.000 0.467 165 W N 0.768 122.074 121.300 0.010 0.000 2.402 165 W HA 0.014 4.701 4.660 0.046 0.000 0.286 165 W C 2.820 179.292 176.519 -0.079 0.000 1.221 165 W CA 0.592 57.917 57.345 -0.033 0.000 1.257 165 W CB -1.386 28.056 29.460 -0.029 0.000 1.120 165 W HN -0.010 nan 8.180 nan 0.000 0.551 166 S N 0.048 115.830 115.700 0.137 0.000 2.355 166 S HA -0.072 4.426 4.470 0.047 0.000 0.222 166 S C 2.122 176.619 174.600 -0.170 0.000 1.031 166 S CA 1.908 60.107 58.200 -0.002 0.000 0.993 166 S CB -0.694 62.604 63.200 0.164 0.000 0.859 166 S HN 0.202 nan 8.310 nan 0.000 0.453 167 G N 0.638 109.427 108.800 -0.017 0.000 2.402 167 G HA2 0.007 3.995 3.960 0.047 0.000 0.216 167 G HA3 0.007 3.995 3.960 0.047 0.000 0.216 167 G C 1.631 176.464 174.900 -0.111 0.000 1.162 167 G CA 0.827 45.842 45.100 -0.140 0.000 0.777 167 G HN 0.647 nan 8.290 nan 0.000 0.539 168 A N 0.189 122.989 122.820 -0.033 0.000 2.024 168 A HA 0.078 4.426 4.320 0.047 0.000 0.220 168 A C 2.364 179.935 177.584 -0.021 0.000 1.164 168 A CA 1.301 53.336 52.037 -0.004 0.000 0.643 168 A CB -0.261 18.774 19.000 0.060 0.000 0.806 168 A HN 0.383 nan 8.150 nan 0.000 0.451 169 L N -1.435 119.757 121.223 -0.052 0.000 2.062 169 L HA -0.057 4.311 4.340 0.047 0.000 0.202 169 L C 2.436 179.252 176.870 -0.090 0.000 1.079 169 L CA 0.768 55.565 54.840 -0.072 0.000 0.755 169 L CB -0.719 41.284 42.059 -0.095 0.000 0.913 169 L HN 0.151 nan 8.230 nan 0.000 0.445 170 V N 0.473 120.279 119.914 -0.181 0.000 2.357 170 V HA -0.388 3.760 4.120 0.047 0.000 0.257 170 V C 2.067 178.174 176.094 0.022 0.000 1.082 170 V CA 2.093 64.309 62.300 -0.139 0.000 1.078 170 V CB -0.699 30.943 31.823 -0.300 0.000 0.663 170 V HN 0.479 nan 8.190 nan 0.000 0.455 171 D N -0.260 120.127 120.400 -0.023 0.000 2.178 171 D HA -0.120 4.548 4.640 0.047 0.000 0.201 171 D C 2.004 178.325 176.300 0.036 0.000 0.980 171 D CA 1.086 55.088 54.000 0.004 0.000 0.842 171 D CB -0.174 40.612 40.800 -0.024 0.000 0.948 171 D HN 0.369 nan 8.370 nan 0.000 0.472 172 I N 0.334 120.920 120.570 0.026 0.000 2.353 172 I HA -0.150 4.048 4.170 0.047 0.000 0.248 172 I C 1.923 178.080 176.117 0.067 0.000 1.119 172 I CA 0.691 62.008 61.300 0.028 0.000 1.417 172 I CB -1.261 36.741 38.000 0.003 0.000 1.078 172 I HN -0.058 nan 8.210 nan 0.000 0.421 173 Q N 0.226 120.086 119.800 0.099 0.000 2.534 173 Q HA -0.145 4.223 4.340 0.047 0.000 0.218 173 Q C 1.930 178.137 176.000 0.345 0.000 0.989 173 Q CA 1.176 57.081 55.803 0.171 0.000 0.903 173 Q CB -0.256 28.518 28.738 0.061 0.000 0.942 173 Q HN 0.446 nan 8.270 nan 0.000 0.501 174 M N -0.402 119.333 119.600 0.224 0.000 2.510 174 M HA 0.071 4.579 4.480 0.047 0.000 0.256 174 M C -0.124 176.212 176.300 0.061 0.000 1.132 174 M CA 0.356 55.718 55.300 0.105 0.000 1.105 174 M CB 0.075 32.663 32.600 -0.020 0.000 1.375 174 M HN 0.022 nan 8.290 nan 0.000 0.477 175 D N 1.375 121.810 120.400 0.057 0.000 2.411 175 D HA 0.093 4.761 4.640 0.047 0.000 0.251 175 D C -0.424 175.898 176.300 0.037 0.000 1.201 175 D CA -0.043 53.977 54.000 0.034 0.000 0.996 175 D CB 0.838 41.651 40.800 0.020 0.000 1.101 175 D HN 0.035 nan 8.370 nan 0.000 0.504 176 D N 0.046 120.460 120.400 0.023 0.000 2.317 176 D HA 0.094 4.762 4.640 0.047 0.000 0.252 176 D C -1.729 174.575 176.300 0.008 0.000 1.174 176 D CA -1.534 52.477 54.000 0.018 0.000 0.866 176 D CB 1.287 42.094 40.800 0.012 0.000 1.127 176 D HN -0.075 nan 8.370 nan 0.000 0.467 177 P HA -0.070 nan 4.420 nan 0.000 0.233 177 P C 0.929 178.213 177.300 -0.026 0.000 1.167 177 P CA 0.774 63.868 63.100 -0.009 0.000 0.770 177 P CB -0.095 31.600 31.700 -0.010 0.000 0.837 178 T N -4.693 109.844 114.554 -0.028 0.000 3.148 178 T HA -0.010 4.368 4.350 0.047 0.000 0.253 178 T C 0.725 175.408 174.700 -0.028 0.000 1.134 178 T CA -0.203 61.872 62.100 -0.042 0.000 1.051 178 T CB -0.821 68.014 68.868 -0.056 0.000 0.959 178 T HN -0.085 nan 8.240 nan 0.000 0.525 179 D N 3.400 123.790 120.400 -0.017 0.000 2.412 179 D HA 0.083 4.751 4.640 0.047 0.000 0.257 179 D C -1.623 174.667 176.300 -0.017 0.000 1.217 179 D CA -1.898 52.094 54.000 -0.013 0.000 0.897 179 D CB 1.611 42.407 40.800 -0.007 0.000 1.132 179 D HN 0.130 nan 8.370 nan 0.000 0.493 180 P HA 0.033 nan 4.420 nan 0.000 0.237 180 P C 0.547 177.838 177.300 -0.016 0.000 1.178 180 P CA 0.418 63.507 63.100 -0.018 0.000 0.766 180 P CB 0.299 31.990 31.700 -0.015 0.000 0.876 181 A N -0.754 122.059 122.820 -0.013 0.000 2.178 181 A HA 0.026 4.374 4.320 0.047 0.000 0.211 181 A C 1.956 179.532 177.584 -0.013 0.000 1.157 181 A CA 0.151 52.181 52.037 -0.011 0.000 0.780 181 A CB -1.228 17.767 19.000 -0.008 0.000 0.828 181 A HN 0.128 nan 8.150 nan 0.000 0.476 182 L N -0.313 120.901 121.223 -0.015 0.000 1.971 182 L HA -0.278 4.090 4.340 0.047 0.000 0.215 182 L C 2.871 179.728 176.870 -0.022 0.000 1.072 182 L CA 2.047 56.877 54.840 -0.017 0.000 0.758 182 L CB -0.582 41.466 42.059 -0.019 0.000 0.889 182 L HN 0.444 nan 8.230 nan 0.000 0.433 183 A N -0.221 122.584 122.820 -0.025 0.000 1.908 183 A HA -0.227 4.121 4.320 0.047 0.000 0.218 183 A C 1.957 179.524 177.584 -0.029 0.000 1.181 183 A CA 1.756 53.776 52.037 -0.028 0.000 0.627 183 A CB -0.537 18.446 19.000 -0.028 0.000 0.818 183 A HN 0.641 nan 8.150 nan 0.000 0.445 184 E N 0.244 120.430 120.200 -0.024 0.000 2.070 184 E HA -0.245 4.133 4.350 0.047 0.000 0.197 184 E C 2.152 178.737 176.600 -0.025 0.000 1.004 184 E CA 1.405 57.791 56.400 -0.023 0.000 0.805 184 E CB -0.491 29.198 29.700 -0.017 0.000 0.744 184 E HN 0.646 nan 8.360 nan 0.000 0.451 185 R N 0.388 120.875 120.500 -0.022 0.000 2.073 185 R HA -0.047 4.321 4.340 0.047 0.000 0.234 185 R C 2.671 178.952 176.300 -0.032 0.000 1.134 185 R CA 1.050 57.137 56.100 -0.020 0.000 0.952 185 R CB -0.426 29.866 30.300 -0.013 0.000 0.850 185 R HN 0.171 nan 8.270 nan 0.000 0.433 186 I N 0.714 121.262 120.570 -0.037 0.000 2.052 186 I HA -0.344 3.854 4.170 0.047 0.000 0.235 186 I C 2.666 178.743 176.117 -0.067 0.000 1.046 186 I CA 1.535 62.805 61.300 -0.050 0.000 1.308 186 I CB -0.552 37.420 38.000 -0.047 0.000 1.031 186 I HN 0.217 nan 8.210 nan 0.000 0.395 187 A N 0.498 123.282 122.820 -0.060 0.000 1.915 187 A HA -0.337 4.011 4.320 0.047 0.000 0.220 187 A C 1.921 179.455 177.584 -0.084 0.000 1.198 187 A CA 2.575 54.571 52.037 -0.067 0.000 0.647 187 A CB -0.921 18.049 19.000 -0.050 0.000 0.825 187 A HN 0.469 nan 8.150 nan 0.000 0.456 188 D N -0.665 119.695 120.400 -0.068 0.000 2.149 188 D HA -0.097 4.571 4.640 0.047 0.000 0.198 188 D C 1.952 178.180 176.300 -0.120 0.000 0.990 188 D CA 1.527 55.484 54.000 -0.071 0.000 0.839 188 D CB -0.338 40.441 40.800 -0.036 0.000 0.948 188 D HN 0.284 nan 8.370 nan 0.000 0.460 189 V N 0.582 120.416 119.914 -0.133 0.000 2.649 189 V HA -0.088 4.060 4.120 0.047 0.000 0.248 189 V C 2.092 177.964 176.094 -0.371 0.000 1.054 189 V CA 0.622 62.783 62.300 -0.231 0.000 1.073 189 V CB -0.059 31.707 31.823 -0.096 0.000 0.699 189 V HN 0.118 nan 8.190 nan 0.000 0.463 190 L N 0.440 121.523 121.223 -0.233 0.000 2.418 190 L HA 0.148 4.516 4.340 0.047 0.000 0.218 190 L C 1.781 178.525 176.870 -0.211 0.000 1.125 190 L CA 1.463 56.178 54.840 -0.208 0.000 0.835 190 L CB -0.626 41.358 42.059 -0.125 0.000 0.953 190 L HN 0.247 nan 8.230 nan 0.000 0.454 191 N N -0.122 118.452 118.700 -0.211 0.000 2.336 191 N HA 0.042 4.810 4.740 0.047 0.000 0.177 191 N C -0.993 174.394 175.510 -0.205 0.000 1.018 191 N CA 0.946 53.898 53.050 -0.162 0.000 0.878 191 N CB -1.430 36.994 38.487 -0.106 0.000 0.997 191 N HN 0.272 nan 8.380 nan 0.000 0.433 192 P HA -0.065 nan 4.420 nan 0.000 0.217 192 P C 1.666 178.590 177.300 -0.627 0.000 1.150 192 P CA 0.566 63.401 63.100 -0.442 0.000 0.832 192 P CB 0.138 31.472 31.700 -0.609 0.000 0.787 193 L N -0.553 120.176 121.223 -0.824 0.000 2.046 193 L HA -0.116 4.252 4.340 0.047 0.000 0.208 193 L C 1.885 178.732 176.870 -0.039 0.000 1.077 193 L CA 2.208 56.787 54.840 -0.435 0.000 0.747 193 L CB -1.602 40.281 42.059 -0.293 0.000 0.896 193 L HN -0.061 nan 8.230 nan 0.000 0.432 194 T N -0.335 114.168 114.554 -0.085 0.000 2.904 194 T HA -0.029 4.349 4.350 0.047 0.000 0.267 194 T C 1.877 176.587 174.700 0.017 0.000 1.059 194 T CA 0.954 63.048 62.100 -0.011 0.000 1.137 194 T CB -0.464 68.384 68.868 -0.033 0.000 0.879 194 T HN 0.502 nan 8.240 nan 0.000 0.467 195 A N 1.401 124.223 122.820 0.002 0.000 1.828 195 A HA -0.096 4.252 4.320 0.047 0.000 0.215 195 A C 2.032 179.679 177.584 0.105 0.000 1.203 195 A CA 1.643 53.705 52.037 0.041 0.000 0.614 195 A CB -1.397 17.622 19.000 0.031 0.000 0.844 195 A HN 0.497 nan 8.150 nan 0.000 0.445 196 Y N 0.589 120.937 120.300 0.080 0.000 2.133 196 Y HA -0.277 4.301 4.550 0.046 0.000 0.279 196 Y C 1.915 177.894 175.900 0.132 0.000 1.209 196 Y CA 2.214 60.413 58.100 0.166 0.000 1.152 196 Y CB -0.343 38.337 38.460 0.366 0.000 0.961 196 Y HN 0.229 nan 8.280 nan 0.000 0.512 197 L N -0.277 120.943 121.223 -0.006 0.000 2.127 197 L HA -0.122 4.246 4.340 0.047 0.000 0.203 197 L C 2.526 179.356 176.870 -0.066 0.000 1.080 197 L CA 1.365 56.163 54.840 -0.071 0.000 0.768 197 L CB -0.473 41.657 42.059 0.119 0.000 0.924 197 L HN 0.058 nan 8.230 nan 0.000 0.444 198 K N 0.365 120.754 120.400 -0.019 0.000 2.362 198 K HA -0.115 4.233 4.320 0.047 0.000 0.200 198 K C 1.981 178.558 176.600 -0.039 0.000 1.046 198 K CA 0.880 57.157 56.287 -0.017 0.000 0.952 198 K CB 0.093 32.593 32.500 0.001 0.000 0.753 198 K HN 0.278 nan 8.250 nan 0.000 0.466 199 A N 1.280 124.059 122.820 -0.069 0.000 1.872 199 A HA -0.102 4.246 4.320 0.047 0.000 0.214 199 A C 1.926 179.442 177.584 -0.113 0.000 1.187 199 A CA 0.827 52.817 52.037 -0.078 0.000 0.614 199 A CB -0.267 18.689 19.000 -0.073 0.000 0.826 199 A HN 0.149 nan 8.150 nan 0.000 0.442 200 R N 0.137 120.519 120.500 -0.198 0.000 2.083 200 R HA -0.154 4.214 4.340 0.047 0.000 0.237 200 R C 2.223 178.472 176.300 -0.084 0.000 1.137 200 R CA 1.663 57.660 56.100 -0.172 0.000 0.951 200 R CB -1.840 28.316 30.300 -0.241 0.000 0.851 200 R HN 0.664 nan 8.270 nan 0.000 0.434 201 C N 0.350 119.615 119.300 -0.059 0.000 2.425 201 C HA 0.003 4.491 4.460 0.047 0.000 0.277 201 C C 2.855 177.832 174.990 -0.021 0.000 1.280 201 C CA 0.329 59.332 59.018 -0.025 0.000 1.744 201 C CB -1.291 26.445 27.740 -0.007 0.000 1.989 201 C HN 0.528 nan 8.230 nan 0.000 0.491 202 A N 2.064 124.868 122.820 -0.026 0.000 1.849 202 A HA -0.283 4.064 4.320 0.047 0.000 0.217 202 A C 2.208 179.782 177.584 -0.017 0.000 1.202 202 A CA 2.314 54.340 52.037 -0.018 0.000 0.629 202 A CB -0.890 18.099 19.000 -0.018 0.000 0.834 202 A HN 0.817 nan 8.150 nan 0.000 0.447 203 E N -1.199 118.987 120.200 -0.023 0.000 2.152 203 E HA -0.157 4.220 4.350 0.047 0.000 0.192 203 E C 1.828 178.419 176.600 -0.015 0.000 0.983 203 E CA 0.668 57.057 56.400 -0.018 0.000 0.818 203 E CB -0.282 29.406 29.700 -0.021 0.000 0.758 203 E HN 0.456 nan 8.360 nan 0.000 0.467 204 R N 0.771 121.259 120.500 -0.019 0.000 2.235 204 R HA 0.022 4.390 4.340 0.047 0.000 0.213 204 R C 2.251 178.547 176.300 -0.007 0.000 1.059 204 R CA 0.700 56.793 56.100 -0.012 0.000 0.997 204 R CB -0.442 29.851 30.300 -0.012 0.000 0.884 204 R HN 0.269 nan 8.270 nan 0.000 0.462 205 R N 0.690 121.186 120.500 -0.007 0.000 2.062 205 R HA -0.016 4.352 4.340 0.047 0.000 0.229 205 R C 2.110 178.407 176.300 -0.004 0.000 1.128 205 R CA 1.305 57.402 56.100 -0.005 0.000 0.960 205 R CB -0.128 30.169 30.300 -0.005 0.000 0.855 205 R HN 0.158 nan 8.270 nan 0.000 0.432 206 A N 0.044 122.861 122.820 -0.005 0.000 1.933 206 A HA -0.139 4.209 4.320 0.047 0.000 0.218 206 A C 0.527 178.110 177.584 -0.002 0.000 1.175 206 A CA 1.619 53.654 52.037 -0.003 0.000 0.628 206 A CB 0.026 19.024 19.000 -0.003 0.000 0.814 206 A HN 0.400 nan 8.150 nan 0.000 0.444 207 D N -1.060 119.339 120.400 -0.003 0.000 2.586 207 D HA 0.281 4.949 4.640 0.047 0.000 0.254 207 D C -2.949 173.350 176.300 -0.001 0.000 1.248 207 D CA -1.766 52.233 54.000 -0.002 0.000 0.843 207 D CB 0.905 41.704 40.800 -0.001 0.000 1.332 207 D HN 0.075 nan 8.370 nan 0.000 0.523 208 P HA 0.303 nan 4.420 nan 0.000 0.268 208 P C 0.330 177.632 177.300 0.004 0.000 1.208 208 P CA -0.017 63.084 63.100 0.002 0.000 0.777 208 P CB 1.294 32.995 31.700 0.002 0.000 0.875 209 G N 0.778 109.583 108.800 0.007 0.000 3.209 209 G HA2 0.292 4.280 3.960 0.047 0.000 0.236 209 G HA3 0.292 4.280 3.960 0.047 0.000 0.236 209 G C -0.197 174.712 174.900 0.014 0.000 1.329 209 G CA -0.527 44.578 45.100 0.010 0.000 1.015 209 G HN 0.403 nan 8.290 nan 0.000 0.571 210 D N 0.169 120.579 120.400 0.017 0.000 2.319 210 D HA 0.085 4.753 4.640 0.047 0.000 0.230 210 D C 0.065 176.383 176.300 0.030 0.000 1.094 210 D CA 0.108 54.120 54.000 0.020 0.000 0.856 210 D CB 0.030 40.840 40.800 0.017 0.000 0.915 210 D HN 0.545 nan 8.370 nan 0.000 0.517 211 D N -0.581 119.839 120.400 0.034 0.000 2.387 211 D HA 0.111 4.778 4.640 0.047 0.000 0.251 211 D C 1.314 177.651 176.300 0.062 0.000 1.141 211 D CA -0.814 53.215 54.000 0.048 0.000 0.987 211 D CB 1.453 42.277 40.800 0.040 0.000 1.116 211 D HN -0.202 nan 8.370 nan 0.000 0.491 212 L N 0.713 121.991 121.223 0.092 0.000 2.046 212 L HA -0.036 4.332 4.340 0.047 0.000 0.208 212 L C 1.848 178.780 176.870 0.102 0.000 1.077 212 L CA 1.520 56.435 54.840 0.126 0.000 0.747 212 L CB -0.542 41.639 42.059 0.203 0.000 0.896 212 L HN 0.698 nan 8.230 nan 0.000 0.432 213 I N -1.084 119.535 120.570 0.082 0.000 2.163 213 I HA -0.349 3.849 4.170 0.047 0.000 0.243 213 I C 2.462 178.601 176.117 0.037 0.000 1.085 213 I CA 1.461 62.796 61.300 0.059 0.000 1.347 213 I CB -0.468 37.552 38.000 0.033 0.000 1.044 213 I HN 0.241 nan 8.210 nan 0.000 0.408 214 S N 0.351 116.069 115.700 0.030 0.000 2.359 214 S HA -0.249 4.249 4.470 0.047 0.000 0.222 214 S C 2.070 176.682 174.600 0.020 0.000 1.038 214 S CA 1.500 59.712 58.200 0.019 0.000 1.051 214 S CB -0.364 62.846 63.200 0.017 0.000 0.944 214 S HN 0.350 nan 8.310 nan 0.000 0.433 215 R N 0.438 120.956 120.500 0.031 0.000 2.103 215 R HA -0.092 4.276 4.340 0.047 0.000 0.242 215 R C 2.311 178.621 176.300 0.016 0.000 1.142 215 R CA 1.330 57.447 56.100 0.027 0.000 0.960 215 R CB -0.593 29.734 30.300 0.045 0.000 0.858 215 R HN 0.375 nan 8.270 nan 0.000 0.439 216 L N 0.205 121.442 121.223 0.023 0.000 2.027 216 L HA -0.151 4.217 4.340 0.047 0.000 0.206 216 L C 2.479 179.341 176.870 -0.013 0.000 1.074 216 L CA 1.093 55.930 54.840 -0.006 0.000 0.745 216 L CB -0.526 41.541 42.059 0.013 0.000 0.898 216 L HN 0.154 nan 8.230 nan 0.000 0.433 217 V N -3.697 116.217 119.914 0.000 0.000 2.871 217 V HA -0.097 4.051 4.120 0.047 0.000 0.256 217 V C 1.956 178.046 176.094 -0.007 0.000 1.082 217 V CA 0.927 63.225 62.300 -0.004 0.000 1.105 217 V CB -0.338 31.485 31.823 -0.000 0.000 0.713 217 V HN 0.242 nan 8.190 nan 0.000 0.473 218 L N 1.051 122.271 121.223 -0.005 0.000 2.591 218 L HA 0.540 4.908 4.340 0.047 0.000 0.228 218 L C 1.503 178.366 176.870 -0.012 0.000 1.133 218 L CA 0.229 55.065 54.840 -0.007 0.000 0.880 218 L CB -1.101 40.957 42.059 -0.002 0.000 1.033 218 L HN 0.453 nan 8.230 nan 0.000 0.450 219 A N 0.121 122.930 122.820 -0.018 0.000 2.409 219 A HA 0.460 4.808 4.320 0.047 0.000 0.262 219 A C 0.208 177.774 177.584 -0.030 0.000 1.113 219 A CA -0.071 51.950 52.037 -0.027 0.000 0.790 219 A CB 0.301 19.276 19.000 -0.041 0.000 1.046 219 A HN 0.169 nan 8.150 nan 0.000 0.496 220 E N 2.112 122.295 120.200 -0.029 0.000 2.307 220 E HA 0.482 4.859 4.350 0.047 0.000 0.280 220 E C -2.179 174.403 176.600 -0.029 0.000 0.900 220 E CA -0.314 56.069 56.400 -0.029 0.000 0.790 220 E CB 1.968 31.655 29.700 -0.022 0.000 1.261 220 E HN 0.414 nan 8.360 nan 0.000 0.405 221 V N 3.527 123.420 119.914 -0.034 0.000 2.623 221 V HA 0.245 4.393 4.120 0.047 0.000 0.304 221 V C -0.276 175.798 176.094 -0.032 0.000 1.054 221 V CA -0.862 61.418 62.300 -0.033 0.000 0.882 221 V CB 1.769 33.567 31.823 -0.041 0.000 1.002 221 V HN 0.780 nan 8.190 nan 0.000 0.424 222 D N 3.839 124.223 120.400 -0.026 0.000 2.733 222 D HA -0.214 4.454 4.640 0.047 0.000 0.232 222 D C 1.357 177.643 176.300 -0.022 0.000 1.161 222 D CA 2.062 56.048 54.000 -0.024 0.000 0.653 222 D CB -1.069 39.716 40.800 -0.025 0.000 1.052 222 D HN 1.543 nan 8.370 nan 0.000 0.424 223 G N -0.925 107.862 108.800 -0.022 0.000 2.232 223 G HA2 -0.354 3.633 3.960 0.047 0.000 0.226 223 G HA3 -0.354 3.633 3.960 0.047 0.000 0.226 223 G C 0.384 175.271 174.900 -0.022 0.000 0.996 223 G CA 0.271 45.360 45.100 -0.020 0.000 0.626 223 G HN 0.574 nan 8.290 nan 0.000 0.509 224 R N 1.326 121.810 120.500 -0.028 0.000 2.297 224 R HA 0.809 5.177 4.340 0.047 0.000 0.308 224 R C 0.323 176.602 176.300 -0.035 0.000 1.029 224 R CA 0.837 56.918 56.100 -0.032 0.000 0.929 224 R CB 0.896 31.172 30.300 -0.040 0.000 1.046 224 R HN 0.978 nan 8.270 nan 0.000 0.461 225 A N 3.825 126.626 122.820 -0.033 0.000 2.507 225 A HA 0.722 5.070 4.320 0.047 0.000 0.284 225 A C -1.599 175.964 177.584 -0.035 0.000 1.281 225 A CA -0.796 51.220 52.037 -0.035 0.000 0.744 225 A CB 1.130 20.114 19.000 -0.025 0.000 1.332 225 A HN 0.549 nan 8.150 nan 0.000 0.454 226 L N 1.387 122.591 121.223 -0.032 0.000 2.381 226 L HA 0.399 4.767 4.340 0.047 0.000 0.274 226 L C -0.750 176.112 176.870 -0.014 0.000 0.988 226 L CA -0.849 53.974 54.840 -0.028 0.000 0.824 226 L CB 1.890 43.925 42.059 -0.040 0.000 1.263 226 L HN 0.959 nan 8.230 nan 0.000 0.410 227 D N 0.007 120.403 120.400 -0.007 0.000 0.000 227 D HA 0.029 4.697 4.640 0.047 0.000 0.000 227 D C 0.254 176.557 176.300 0.004 0.000 0.000 227 D CA -0.445 53.554 54.000 -0.002 0.000 0.000 227 D CB 0.903 41.703 40.800 -0.000 0.000 0.000 227 D HN 0.389 nan 8.370 nan 0.000 0.000 228 D N -1.207 119.196 120.400 0.005 0.000 2.317 228 D HA -0.114 4.554 4.640 0.047 0.000 0.211 228 D C 1.336 177.646 176.300 0.017 0.000 0.966 228 D CA 0.568 54.573 54.000 0.009 0.000 0.876 228 D CB 0.063 40.865 40.800 0.002 0.000 0.927 228 D HN 0.617 nan 8.370 nan 0.000 0.519 229 E N 1.129 121.339 120.200 0.016 0.000 2.076 229 E HA -0.122 4.256 4.350 0.047 0.000 0.190 229 E C 1.567 178.189 176.600 0.036 0.000 0.979 229 E CA 0.416 56.828 56.400 0.021 0.000 0.807 229 E CB 0.304 30.012 29.700 0.014 0.000 0.761 229 E HN 0.245 nan 8.360 nan 0.000 0.454 230 E N 0.395 120.616 120.200 0.036 0.000 2.049 230 E HA -0.233 4.145 4.350 0.047 0.000 0.198 230 E C 2.018 178.673 176.600 0.091 0.000 1.007 230 E CA 1.302 57.733 56.400 0.053 0.000 0.809 230 E CB -0.147 29.568 29.700 0.024 0.000 0.749 230 E HN 0.287 nan 8.360 nan 0.000 0.450 231 A N 1.215 124.076 122.820 0.068 0.000 1.898 231 A HA -0.055 4.293 4.320 0.047 0.000 0.216 231 A C 2.367 180.028 177.584 0.129 0.000 1.181 231 A CA 1.613 53.707 52.037 0.095 0.000 0.620 231 A CB -0.622 18.407 19.000 0.047 0.000 0.819 231 A HN 0.299 nan 8.150 nan 0.000 0.442 232 A N 0.156 123.024 122.820 0.081 0.000 1.902 232 A HA -0.197 4.151 4.320 0.047 0.000 0.217 232 A C 1.984 179.613 177.584 0.076 0.000 1.181 232 A CA 1.875 53.954 52.037 0.071 0.000 0.623 232 A CB -0.640 18.384 19.000 0.040 0.000 0.818 232 A HN 0.520 nan 8.150 nan 0.000 0.443 233 N N -0.871 117.877 118.700 0.079 0.000 2.058 233 N HA -0.149 4.619 4.740 0.047 0.000 0.191 233 N C 1.443 177.000 175.510 0.078 0.000 1.037 233 N CA 1.561 54.653 53.050 0.069 0.000 0.848 233 N CB -0.655 37.875 38.487 0.072 0.000 1.021 233 N HN 0.476 nan 8.380 nan 0.000 0.422 234 F N 1.903 121.851 119.950 -0.002 0.000 2.091 234 F HA -0.203 4.352 4.527 0.046 0.000 0.299 234 F C 2.381 178.161 175.800 -0.033 0.000 1.103 234 F CA 1.448 59.434 58.000 -0.023 0.000 1.228 234 F CB -0.383 38.597 39.000 -0.033 0.000 0.984 234 F HN -0.020 nan 8.300 nan 0.000 0.477 235 S N -0.915 114.838 115.700 0.089 0.000 2.402 235 S HA -0.169 4.329 4.470 0.047 0.000 0.229 235 S C 1.936 176.530 174.600 -0.010 0.000 1.021 235 S CA 1.542 59.770 58.200 0.047 0.000 0.974 235 S CB -0.700 62.580 63.200 0.133 0.000 0.800 235 S HN 0.449 nan 8.310 nan 0.000 0.484 236 T N 2.628 117.179 114.554 -0.005 0.000 2.668 236 T HA -0.015 4.363 4.350 0.047 0.000 0.262 236 T C 2.278 176.910 174.700 -0.112 0.000 1.045 236 T CA 1.258 63.351 62.100 -0.012 0.000 1.152 236 T CB -0.671 68.194 68.868 -0.006 0.000 0.864 236 T HN 0.465 nan 8.240 nan 0.000 0.419 237 A N 1.286 123.995 122.820 -0.184 0.000 1.903 237 A HA -0.150 4.198 4.320 0.047 0.000 0.219 237 A C 2.314 179.709 177.584 -0.315 0.000 1.191 237 A CA 1.792 53.667 52.037 -0.269 0.000 0.638 237 A CB -1.165 17.627 19.000 -0.347 0.000 0.823 237 A HN 0.485 nan 8.150 nan 0.000 0.451 238 L N -0.767 120.202 121.223 -0.424 0.000 2.012 238 L HA -0.186 4.182 4.340 0.047 0.000 0.210 238 L C 2.558 179.340 176.870 -0.147 0.000 1.073 238 L CA 1.694 56.319 54.840 -0.358 0.000 0.748 238 L CB -0.198 41.626 42.059 -0.392 0.000 0.891 238 L HN 0.558 nan 8.230 nan 0.000 0.431 239 L N -0.422 120.755 121.223 -0.078 0.000 2.017 239 L HA -0.253 4.115 4.340 0.047 0.000 0.208 239 L C 2.507 179.315 176.870 -0.103 0.000 1.073 239 L CA 1.907 56.706 54.840 -0.069 0.000 0.745 239 L CB -0.602 41.381 42.059 -0.128 0.000 0.894 239 L HN 0.345 nan 8.230 nan 0.000 0.432 240 L N 0.154 121.306 121.223 -0.118 0.000 2.043 240 L HA -0.248 4.120 4.340 0.047 0.000 0.212 240 L C 2.831 179.661 176.870 -0.068 0.000 1.075 240 L CA 1.535 56.308 54.840 -0.112 0.000 0.752 240 L CB -0.711 41.271 42.059 -0.128 0.000 0.891 240 L HN 0.391 nan 8.230 nan 0.000 0.432 241 A N -0.430 122.347 122.820 -0.072 0.000 1.930 241 A HA -0.020 4.328 4.320 0.047 0.000 0.215 241 A C 2.338 179.954 177.584 0.053 0.000 1.176 241 A CA 1.444 53.463 52.037 -0.030 0.000 0.632 241 A CB -0.871 18.065 19.000 -0.106 0.000 0.819 241 A HN 0.438 nan 8.150 nan 0.000 0.445 242 G N -1.646 107.191 108.800 0.061 0.000 2.426 242 G HA2 -0.094 3.893 3.960 0.047 0.000 0.214 242 G HA3 -0.094 3.893 3.960 0.047 0.000 0.214 242 G C 1.364 176.348 174.900 0.139 0.000 1.156 242 G CA 1.021 46.180 45.100 0.098 0.000 0.802 242 G HN 0.766 nan 8.290 nan 0.000 0.534 243 H N 0.094 119.184 119.070 0.033 0.000 2.257 243 H HA -0.075 4.508 4.556 0.046 0.000 0.292 243 H C 2.388 177.761 175.328 0.076 0.000 1.075 243 H CA 1.869 57.959 56.048 0.070 0.000 1.212 243 H CB -0.125 29.683 29.762 0.077 0.000 1.354 243 H HN 0.235 nan 8.280 nan 0.000 0.497 244 I N 0.568 121.311 120.570 0.289 0.000 2.286 244 I HA -0.234 3.964 4.170 0.047 0.000 0.248 244 I C 2.282 178.423 176.117 0.041 0.000 1.115 244 I CA 1.860 63.229 61.300 0.115 0.000 1.392 244 I CB -0.206 37.772 38.000 -0.038 0.000 1.065 244 I HN 0.641 nan 8.210 nan 0.000 0.418 245 T N -3.534 111.056 114.554 0.060 0.000 2.896 245 T HA -0.084 4.294 4.350 0.047 0.000 0.263 245 T C 1.750 176.455 174.700 0.007 0.000 1.050 245 T CA 1.470 63.562 62.100 -0.012 0.000 1.140 245 T CB -0.615 68.305 68.868 0.087 0.000 0.877 245 T HN 0.195 nan 8.240 nan 0.000 0.457 246 T N 2.013 116.609 114.554 0.070 0.000 2.857 246 T HA -0.034 4.344 4.350 0.047 0.000 0.266 246 T C 2.203 176.947 174.700 0.074 0.000 1.048 246 T CA 1.612 63.754 62.100 0.071 0.000 1.139 246 T CB -0.820 68.092 68.868 0.074 0.000 0.874 246 T HN 0.487 nan 8.240 nan 0.000 0.455 247 T N 2.032 116.652 114.554 0.109 0.000 2.665 247 T HA -0.129 4.249 4.350 0.047 0.000 0.268 247 T C 2.119 176.872 174.700 0.089 0.000 1.035 247 T CA 1.360 63.541 62.100 0.136 0.000 1.151 247 T CB -0.591 68.416 68.868 0.231 0.000 0.862 247 T HN 0.165 nan 8.240 nan 0.000 0.438 248 V N 1.169 121.100 119.914 0.028 0.000 2.270 248 V HA -0.066 4.082 4.120 0.047 0.000 0.245 248 V C 2.442 178.516 176.094 -0.033 0.000 1.043 248 V CA 1.355 63.637 62.300 -0.029 0.000 1.014 248 V CB -0.649 31.046 31.823 -0.212 0.000 0.645 248 V HN 0.394 nan 8.190 nan 0.000 0.447 249 L N -0.812 120.386 121.223 -0.042 0.000 2.027 249 L HA -0.137 4.231 4.340 0.047 0.000 0.206 249 L C 2.460 179.338 176.870 0.013 0.000 1.074 249 L CA 1.602 56.426 54.840 -0.026 0.000 0.745 249 L CB -0.286 41.767 42.059 -0.010 0.000 0.898 249 L HN 0.334 nan 8.230 nan 0.000 0.433 250 L N 0.269 121.516 121.223 0.039 0.000 1.989 250 L HA -0.134 4.234 4.340 0.047 0.000 0.211 250 L C 2.415 179.318 176.870 0.055 0.000 1.071 250 L CA 2.273 57.149 54.840 0.060 0.000 0.749 250 L CB -1.333 40.777 42.059 0.084 0.000 0.890 250 L HN 0.243 nan 8.230 nan 0.000 0.431 251 G N -0.931 107.899 108.800 0.050 0.000 2.476 251 G HA2 -0.356 3.632 3.960 0.047 0.000 0.218 251 G HA3 -0.356 3.632 3.960 0.047 0.000 0.218 251 G C 1.441 176.347 174.900 0.011 0.000 1.164 251 G CA 0.976 46.096 45.100 0.033 0.000 0.768 251 G HN 0.474 nan 8.290 nan 0.000 0.560 252 N N 0.700 119.401 118.700 0.002 0.000 2.149 252 N HA -0.078 4.690 4.740 0.047 0.000 0.188 252 N C 2.158 177.655 175.510 -0.021 0.000 1.019 252 N CA 0.868 53.914 53.050 -0.006 0.000 0.857 252 N CB -0.323 38.160 38.487 -0.008 0.000 0.997 252 N HN 0.410 nan 8.380 nan 0.000 0.426 253 I N 0.037 120.597 120.570 -0.017 0.000 2.179 253 I HA -0.228 3.970 4.170 0.047 0.000 0.242 253 I C 1.984 178.045 176.117 -0.094 0.000 1.088 253 I CA 0.887 62.155 61.300 -0.053 0.000 1.357 253 I CB -0.200 37.790 38.000 -0.017 0.000 1.051 253 I HN -0.061 nan 8.210 nan 0.000 0.409 254 V N 0.314 120.226 119.914 -0.004 0.000 2.379 254 V HA -0.202 3.946 4.120 0.047 0.000 0.245 254 V C 2.545 178.679 176.094 0.066 0.000 1.044 254 V CA 1.543 63.893 62.300 0.083 0.000 1.036 254 V CB -0.735 31.198 31.823 0.183 0.000 0.664 254 V HN 0.324 nan 8.190 nan 0.000 0.453 255 R N -0.001 120.510 120.500 0.017 0.000 2.096 255 R HA -0.177 4.191 4.340 0.047 0.000 0.240 255 R C 2.423 178.704 176.300 -0.032 0.000 1.139 255 R CA 2.192 58.294 56.100 0.004 0.000 0.952 255 R CB -0.701 29.597 30.300 -0.002 0.000 0.854 255 R HN 0.528 nan 8.270 nan 0.000 0.436 256 T N 1.530 116.026 114.554 -0.098 0.000 2.777 256 T HA -0.076 4.302 4.350 0.047 0.000 0.266 256 T C 1.912 176.419 174.700 -0.322 0.000 1.040 256 T CA 0.948 62.910 62.100 -0.229 0.000 1.141 256 T CB -0.131 68.494 68.868 -0.405 0.000 0.868 256 T HN 0.139 nan 8.240 nan 0.000 0.444 257 L N 1.229 122.245 121.223 -0.345 0.000 2.046 257 L HA -0.115 4.253 4.340 0.047 0.000 0.208 257 L C 2.705 179.550 176.870 -0.041 0.000 1.077 257 L CA 1.356 55.950 54.840 -0.410 0.000 0.747 257 L CB -0.579 40.863 42.059 -1.029 0.000 0.896 257 L HN 0.324 nan 8.230 nan 0.000 0.432 258 D N 0.393 120.873 120.400 0.133 0.000 2.182 258 D HA -0.233 4.435 4.640 0.047 0.000 0.201 258 D C 1.739 178.065 176.300 0.044 0.000 0.986 258 D CA 1.323 55.448 54.000 0.209 0.000 0.847 258 D CB 0.182 41.068 40.800 0.143 0.000 0.942 258 D HN 0.467 nan 8.370 nan 0.000 0.467 259 E N -1.160 118.982 120.200 -0.097 0.000 2.371 259 E HA -0.051 4.326 4.350 0.047 0.000 0.194 259 E C 0.286 176.549 176.600 -0.562 0.000 1.012 259 E CA 0.479 56.691 56.400 -0.315 0.000 0.860 259 E CB 0.287 29.747 29.700 -0.400 0.000 0.811 259 E HN 0.450 nan 8.360 nan 0.000 0.502 260 H N -0.539 118.516 119.070 -0.026 0.000 2.616 260 H HA 0.130 4.713 4.556 0.046 0.000 0.229 260 H C -2.014 173.405 175.328 0.152 0.000 1.418 260 H CA -1.322 54.774 56.048 0.080 0.000 1.248 260 H CB 0.732 30.568 29.762 0.124 0.000 1.822 260 H HN 0.138 nan 8.280 nan 0.000 0.522 261 P HA -0.040 nan 4.420 nan 0.000 0.230 261 P C 1.512 178.996 177.300 0.307 0.000 1.158 261 P CA 0.590 63.913 63.100 0.372 0.000 0.769 261 P CB 0.238 32.146 31.700 0.346 0.000 0.807 262 A N 0.264 123.169 122.820 0.142 0.000 2.024 262 A HA -0.213 4.135 4.320 0.047 0.000 0.220 262 A C 2.044 179.614 177.584 -0.023 0.000 1.164 262 A CA 1.260 53.307 52.037 0.017 0.000 0.643 262 A CB -1.610 17.323 19.000 -0.111 0.000 0.806 262 A HN 0.276 nan 8.150 nan 0.000 0.451 263 H N -2.860 116.275 119.070 0.109 0.000 2.529 263 H HA -0.099 4.482 4.556 0.042 0.000 0.277 263 H C 1.785 177.144 175.328 0.052 0.000 0.999 263 H CA 0.883 56.960 56.048 0.049 0.000 1.256 263 H CB -0.151 29.628 29.762 0.028 0.000 1.402 263 H HN 0.803 nan 8.280 nan 0.000 0.566 264 W N 1.742 123.148 121.300 0.176 0.000 2.355 264 W HA -0.150 4.541 4.660 0.053 0.000 0.309 264 W C 1.948 178.521 176.519 0.090 0.000 1.206 264 W CA 0.841 58.259 57.345 0.123 0.000 1.284 264 W CB -0.029 29.487 29.460 0.094 0.000 1.145 264 W HN 0.140 nan 8.180 nan 0.000 0.502 265 D N -0.091 120.500 120.400 0.317 0.000 2.097 265 D HA -0.157 4.511 4.640 0.047 0.000 0.197 265 D C 2.213 178.595 176.300 0.137 0.000 0.984 265 D CA 1.892 56.001 54.000 0.183 0.000 0.826 265 D CB -1.082 39.789 40.800 0.118 0.000 0.973 265 D HN 0.077 nan 8.370 nan 0.000 0.460 266 A N 0.982 123.870 122.820 0.113 0.000 1.877 266 A HA -0.032 4.316 4.320 0.047 0.000 0.216 266 A C 2.273 179.918 177.584 0.102 0.000 1.186 266 A CA 2.232 54.318 52.037 0.081 0.000 0.620 266 A CB -0.945 18.084 19.000 0.048 0.000 0.822 266 A HN 0.236 nan 8.150 nan 0.000 0.443 267 A N -0.457 122.443 122.820 0.132 0.000 2.067 267 A HA 0.242 4.590 4.320 0.047 0.000 0.219 267 A C 2.354 180.017 177.584 0.132 0.000 1.158 267 A CA 1.737 53.848 52.037 0.123 0.000 0.661 267 A CB -0.747 18.326 19.000 0.122 0.000 0.801 267 A HN 1.001 nan 8.150 nan 0.000 0.452 268 A N -0.641 122.272 122.820 0.154 0.000 1.969 268 A HA -0.061 4.287 4.320 0.047 0.000 0.218 268 A C 1.986 179.624 177.584 0.090 0.000 1.169 268 A CA 1.881 53.997 52.037 0.132 0.000 0.635 268 A CB -0.265 18.819 19.000 0.140 0.000 0.810 268 A HN 0.397 nan 8.150 nan 0.000 0.445 269 E N -0.130 120.117 120.200 0.080 0.000 2.122 269 E HA -0.004 4.374 4.350 0.047 0.000 0.190 269 E C -0.381 176.250 176.600 0.051 0.000 0.977 269 E CA 0.832 57.266 56.400 0.058 0.000 0.820 269 E CB 0.111 29.841 29.700 0.049 0.000 0.770 269 E HN 0.456 nan 8.360 nan 0.000 0.462 270 D N -1.083 119.351 120.400 0.057 0.000 2.375 270 D HA 0.214 4.882 4.640 0.047 0.000 0.259 270 D C -2.286 174.048 176.300 0.057 0.000 1.235 270 D CA -2.200 51.829 54.000 0.049 0.000 0.924 270 D CB 1.318 42.142 40.800 0.040 0.000 1.143 270 D HN -0.198 nan 8.370 nan 0.000 0.529 271 P HA -0.019 nan 4.420 nan 0.000 0.224 271 P C 1.272 178.603 177.300 0.052 0.000 1.142 271 P CA 0.790 63.928 63.100 0.063 0.000 0.778 271 P CB 0.332 32.068 31.700 0.059 0.000 0.764 272 G N -0.786 108.040 108.800 0.043 0.000 2.744 272 G HA2 -0.150 3.838 3.960 0.047 0.000 0.211 272 G HA3 -0.150 3.838 3.960 0.047 0.000 0.211 272 G C 1.494 176.414 174.900 0.033 0.000 1.143 272 G CA -0.056 45.065 45.100 0.036 0.000 0.788 272 G HN 0.247 nan 8.290 nan 0.000 0.534 273 R N -0.431 120.092 120.500 0.037 0.000 2.236 273 R HA 0.205 4.573 4.340 0.047 0.000 0.208 273 R C 2.108 178.422 176.300 0.024 0.000 1.036 273 R CA 0.138 56.257 56.100 0.031 0.000 1.001 273 R CB -0.144 30.183 30.300 0.044 0.000 0.896 273 R HN 0.372 nan 8.270 nan 0.000 0.464 274 I N 0.951 121.542 120.570 0.035 0.000 2.252 274 I HA -0.170 4.028 4.170 0.047 0.000 0.245 274 I C -0.941 175.194 176.117 0.029 0.000 1.102 274 I CA 1.075 62.395 61.300 0.034 0.000 1.385 274 I CB -0.665 37.367 38.000 0.053 0.000 1.064 274 I HN 0.050 nan 8.210 nan 0.000 0.414 275 P HA -0.150 nan 4.420 nan 0.000 0.217 275 P C 1.380 178.696 177.300 0.027 0.000 1.150 275 P CA 1.582 64.708 63.100 0.044 0.000 0.832 275 P CB -0.007 31.722 31.700 0.049 0.000 0.787 276 A N -1.022 121.799 122.820 0.003 0.000 2.014 276 A HA -0.111 4.237 4.320 0.047 0.000 0.218 276 A C 2.161 179.696 177.584 -0.082 0.000 1.163 276 A CA 1.061 53.079 52.037 -0.032 0.000 0.652 276 A CB -1.468 17.506 19.000 -0.043 0.000 0.808 276 A HN 0.111 nan 8.150 nan 0.000 0.449 277 I N -0.441 120.086 120.570 -0.072 0.000 2.202 277 I HA -0.194 4.004 4.170 0.047 0.000 0.242 277 I C 2.314 178.424 176.117 -0.011 0.000 1.091 277 I CA 1.010 62.259 61.300 -0.085 0.000 1.368 277 I CB -0.268 37.701 38.000 -0.052 0.000 1.058 277 I HN 0.146 nan 8.210 nan 0.000 0.410 278 V N 0.678 120.600 119.914 0.014 0.000 2.324 278 V HA -0.282 3.866 4.120 0.047 0.000 0.250 278 V C 2.485 178.601 176.094 0.038 0.000 1.060 278 V CA 1.789 64.113 62.300 0.041 0.000 1.042 278 V CB -0.710 31.154 31.823 0.067 0.000 0.650 278 V HN 0.418 nan 8.190 nan 0.000 0.450 279 E N -0.044 120.173 120.200 0.028 0.000 2.072 279 E HA -0.218 4.160 4.350 0.047 0.000 0.191 279 E C 2.233 178.825 176.600 -0.014 0.000 0.985 279 E CA 1.390 57.805 56.400 0.026 0.000 0.801 279 E CB -0.211 29.511 29.700 0.037 0.000 0.750 279 E HN 0.706 nan 8.360 nan 0.000 0.452 280 E N 0.574 120.737 120.200 -0.062 0.000 2.208 280 E HA -0.073 4.305 4.350 0.047 0.000 0.193 280 E C 1.930 178.589 176.600 0.098 0.000 0.988 280 E CA 0.430 56.765 56.400 -0.108 0.000 0.828 280 E CB 0.067 29.508 29.700 -0.431 0.000 0.763 280 E HN -0.011 nan 8.360 nan 0.000 0.478 281 V N 0.580 120.595 119.914 0.169 0.000 2.453 281 V HA -0.184 3.964 4.120 0.047 0.000 0.247 281 V C 2.354 178.509 176.094 0.103 0.000 1.048 281 V CA 1.281 63.703 62.300 0.204 0.000 1.049 281 V CB -0.438 31.448 31.823 0.106 0.000 0.672 281 V HN 0.299 nan 8.190 nan 0.000 0.457 282 L N -0.120 121.115 121.223 0.020 0.000 2.042 282 L HA -0.221 4.147 4.340 0.047 0.000 0.210 282 L C 2.778 179.626 176.870 -0.037 0.000 1.076 282 L CA 2.060 56.859 54.840 -0.067 0.000 0.749 282 L CB -0.529 41.437 42.059 -0.155 0.000 0.893 282 L HN 0.291 nan 8.230 nan 0.000 0.432 283 R N -1.004 119.499 120.500 0.005 0.000 2.062 283 R HA -0.220 4.148 4.340 0.047 0.000 0.229 283 R C 2.466 178.805 176.300 0.064 0.000 1.128 283 R CA 1.603 57.705 56.100 0.004 0.000 0.960 283 R CB -0.443 29.807 30.300 -0.084 0.000 0.855 283 R HN 0.251 nan 8.270 nan 0.000 0.432 284 Y N 0.444 120.735 120.300 -0.015 0.000 2.263 284 Y HA 0.013 4.573 4.550 0.016 0.000 0.292 284 Y C 0.569 176.488 175.900 0.032 0.000 1.130 284 Y CA 1.368 59.485 58.100 0.029 0.000 1.179 284 Y CB 0.353 38.888 38.460 0.125 0.000 0.998 284 Y HN -0.071 nan 8.280 nan 0.000 0.532 285 R N 0.693 121.236 120.500 0.071 0.000 2.653 285 R HA 0.233 4.601 4.340 0.047 0.000 0.269 285 R C -2.829 173.459 176.300 -0.021 0.000 1.603 285 R CA -1.986 54.112 56.100 -0.003 0.000 1.671 285 R CB 0.801 31.125 30.300 0.040 0.000 1.300 285 R HN 0.020 nan 8.270 nan 0.000 0.668 286 P HA 0.085 nan 4.420 nan 0.000 0.267 286 P C -2.296 174.926 177.300 -0.129 0.000 1.205 286 P CA -1.131 61.926 63.100 -0.071 0.000 0.765 286 P CB 1.209 32.902 31.700 -0.012 0.000 0.828 287 P HA -0.062 nan 4.420 nan 0.000 0.219 287 P C -0.187 176.709 177.300 -0.673 0.000 1.146 287 P CA 1.455 64.248 63.100 -0.512 0.000 0.808 287 P CB -0.053 31.213 31.700 -0.724 0.000 0.779 288 F N -0.414 119.490 119.950 -0.077 0.000 2.434 288 F HA 0.318 4.873 4.527 0.046 0.000 0.367 288 F C -1.532 174.232 175.800 -0.061 0.000 1.093 288 F CA -2.330 55.618 58.000 -0.086 0.000 1.085 288 F CB 1.624 40.565 39.000 -0.099 0.000 1.322 288 F HN -0.117 nan 8.300 nan 0.000 0.452 289 P HA -0.062 nan 4.420 nan 0.000 0.241 289 P C -0.732 176.571 177.300 0.004 0.000 1.191 289 P CA 0.803 63.980 63.100 0.129 0.000 0.771 289 P CB 0.356 32.205 31.700 0.249 0.000 0.929 290 Q N -0.712 118.986 119.800 -0.171 0.000 2.456 290 Q HA 0.759 5.127 4.340 0.047 0.000 0.284 290 Q C -0.920 174.930 176.000 -0.250 0.000 1.061 290 Q CA -0.971 54.588 55.803 -0.407 0.000 0.799 290 Q CB 1.985 30.152 28.738 -0.951 0.000 1.445 290 Q HN -0.173 nan 8.270 nan 0.000 0.411 291 M N 0.685 120.134 119.600 -0.251 0.000 2.593 291 M HA 0.488 4.996 4.480 0.047 0.000 0.290 291 M C -1.384 174.795 176.300 -0.201 0.000 1.244 291 M CA -0.860 54.323 55.300 -0.196 0.000 0.857 291 M CB 2.734 35.251 32.600 -0.138 0.000 1.738 291 M HN 0.530 nan 8.290 nan 0.000 0.461 292 Q N 1.105 120.806 119.800 -0.165 0.000 2.345 292 Q HA 0.711 5.079 4.340 0.047 0.000 0.268 292 Q C -0.982 174.956 176.000 -0.102 0.000 1.054 292 Q CA -0.782 54.939 55.803 -0.137 0.000 0.835 292 Q CB 2.027 30.692 28.738 -0.122 0.000 1.339 292 Q HN 0.352 nan 8.270 nan 0.000 0.447 293 R N 0.104 120.566 120.500 -0.064 0.000 2.905 293 R HA 0.772 5.140 4.340 0.047 0.000 0.260 293 R C -0.971 175.347 176.300 0.031 0.000 1.086 293 R CA -0.804 55.291 56.100 -0.008 0.000 0.978 293 R CB 1.819 32.145 30.300 0.045 0.000 1.215 293 R HN 0.658 nan 8.270 nan 0.000 0.480 294 T N 0.857 115.447 114.554 0.059 0.000 2.949 294 T HA 0.205 4.583 4.350 0.047 0.000 0.300 294 T C -0.505 174.223 174.700 0.047 0.000 0.988 294 T CA -0.754 61.375 62.100 0.048 0.000 0.993 294 T CB 1.410 70.281 68.868 0.006 0.000 0.984 294 T HN 0.655 nan 8.240 nan 0.000 0.442 295 T N 0.428 115.012 114.554 0.050 0.000 2.908 295 T HA 0.103 4.481 4.350 0.047 0.000 0.301 295 T C 1.579 176.219 174.700 -0.099 0.000 1.019 295 T CA 0.110 62.164 62.100 -0.076 0.000 1.152 295 T CB 0.605 69.413 68.868 -0.100 0.000 0.966 295 T HN 0.712 nan 8.240 nan 0.000 0.540 296 T N -0.743 113.718 114.554 -0.155 0.000 3.065 296 T HA 0.207 4.585 4.350 0.047 0.000 0.252 296 T C 0.417 175.046 174.700 -0.117 0.000 1.099 296 T CA -0.087 61.944 62.100 -0.116 0.000 1.063 296 T CB -0.345 68.454 68.868 -0.115 0.000 0.948 296 T HN 0.979 nan 8.240 nan 0.000 0.506 297 K N -0.488 119.819 120.400 -0.155 0.000 2.617 297 K HA 0.714 5.062 4.320 0.047 0.000 0.293 297 K C -1.344 175.164 176.600 -0.153 0.000 1.034 297 K CA -1.150 55.057 56.287 -0.133 0.000 0.884 297 K CB 0.807 33.228 32.500 -0.131 0.000 1.541 297 K HN -0.050 nan 8.250 nan 0.000 0.409 298 A N 0.761 123.508 122.820 -0.121 0.000 2.524 298 A HA 0.425 4.773 4.320 0.047 0.000 0.250 298 A C -0.099 177.398 177.584 -0.145 0.000 1.078 298 A CA 0.787 52.750 52.037 -0.124 0.000 0.761 298 A CB 0.016 18.964 19.000 -0.086 0.000 1.012 298 A HN 0.608 nan 8.150 nan 0.000 0.500 299 T N 1.424 115.882 114.554 -0.161 0.000 2.754 299 T HA 0.553 4.931 4.350 0.047 0.000 0.296 299 T C -1.258 173.387 174.700 -0.092 0.000 1.205 299 T CA -0.604 61.410 62.100 -0.143 0.000 1.009 299 T CB 1.105 69.817 68.868 -0.259 0.000 1.368 299 T HN 0.715 nan 8.240 nan 0.000 0.509 300 E N 0.540 120.726 120.200 -0.024 0.000 2.256 300 E HA 0.632 5.010 4.350 0.047 0.000 0.267 300 E C -1.348 175.297 176.600 0.075 0.000 0.892 300 E CA -0.970 55.428 56.400 -0.003 0.000 0.775 300 E CB 2.458 32.160 29.700 0.003 0.000 1.207 300 E HN 0.297 nan 8.360 nan 0.000 0.420 301 V N 1.887 121.829 119.914 0.046 0.000 2.350 301 V HA 0.444 4.592 4.120 0.047 0.000 0.285 301 V C 0.142 176.267 176.094 0.053 0.000 1.014 301 V CA -0.447 61.888 62.300 0.057 0.000 0.831 301 V CB 0.781 32.613 31.823 0.016 0.000 1.000 301 V HN 0.952 nan 8.190 nan 0.000 0.433 302 A N 4.252 127.103 122.820 0.051 0.000 2.416 302 A HA 0.088 4.436 4.320 0.047 0.000 0.293 302 A C 1.778 179.395 177.584 0.054 0.000 1.452 302 A CA 1.253 53.321 52.037 0.052 0.000 0.738 302 A CB -1.472 17.562 19.000 0.058 0.000 1.123 302 A HN 2.598 nan 8.150 nan 0.000 0.389 303 G N -2.736 106.090 108.800 0.043 0.000 2.328 303 G HA2 -0.126 3.862 3.960 0.047 0.000 0.256 303 G HA3 -0.126 3.862 3.960 0.047 0.000 0.256 303 G C 0.546 175.471 174.900 0.043 0.000 1.014 303 G CA 0.566 45.690 45.100 0.040 0.000 0.620 303 G HN 1.978 nan 8.290 nan 0.000 0.530 304 V N 4.137 124.083 119.914 0.053 0.000 2.408 304 V HA 0.431 4.579 4.120 0.047 0.000 0.267 304 V C -1.252 174.823 176.094 -0.033 0.000 1.047 304 V CA -1.189 61.145 62.300 0.058 0.000 0.937 304 V CB 1.267 33.173 31.823 0.139 0.000 0.999 304 V HN 0.298 nan 8.190 nan 0.000 0.472 305 P HA 0.400 nan 4.420 nan 0.000 0.276 305 P C -0.794 176.301 177.300 -0.342 0.000 1.230 305 P CA -0.036 62.987 63.100 -0.128 0.000 0.776 305 P CB 1.264 32.931 31.700 -0.056 0.000 0.888 306 I N 4.546 124.864 120.570 -0.420 0.000 2.582 306 I HA 0.351 4.549 4.170 0.047 0.000 0.292 306 I C -2.195 173.699 176.117 -0.370 0.000 1.066 306 I CA -2.839 58.021 61.300 -0.733 0.000 1.053 306 I CB 2.803 40.273 38.000 -0.883 0.000 1.241 306 I HN 0.182 nan 8.210 nan 0.000 0.421 307 P HA 0.233 nan 4.420 nan 0.000 0.276 307 P C -0.598 176.641 177.300 -0.103 0.000 1.261 307 P CA -0.396 62.638 63.100 -0.111 0.000 0.800 307 P CB 0.691 32.386 31.700 -0.007 0.000 1.066 308 A N 0.766 123.544 122.820 -0.071 0.000 2.466 308 A HA 0.130 4.478 4.320 0.047 0.000 0.238 308 A C 0.461 178.029 177.584 -0.027 0.000 1.074 308 A CA 0.298 52.298 52.037 -0.062 0.000 0.774 308 A CB -1.018 17.951 19.000 -0.052 0.000 1.015 308 A HN 0.722 nan 8.150 nan 0.000 0.498 309 D N -1.574 118.810 120.400 -0.026 0.000 2.800 309 D HA -0.149 4.519 4.640 0.047 0.000 0.232 309 D C 0.045 176.364 176.300 0.032 0.000 1.137 309 D CA 1.398 55.397 54.000 -0.001 0.000 0.718 309 D CB -2.440 38.359 40.800 -0.001 0.000 1.084 309 D HN 1.141 nan 8.370 nan 0.000 0.432 310 V N -4.182 115.762 119.914 0.050 0.000 3.113 310 V HA 0.673 4.821 4.120 0.047 0.000 0.316 310 V C 0.395 176.561 176.094 0.120 0.000 1.125 310 V CA -1.225 61.145 62.300 0.117 0.000 1.026 310 V CB 2.711 34.670 31.823 0.227 0.000 1.080 310 V HN 0.061 nan 8.190 nan 0.000 0.444 311 M N 2.116 121.802 119.600 0.144 0.000 2.233 311 M HA 0.603 5.111 4.480 0.047 0.000 0.355 311 M C -1.255 175.130 176.300 0.142 0.000 1.191 311 M CA -0.460 54.897 55.300 0.096 0.000 1.101 311 M CB 1.493 34.117 32.600 0.041 0.000 1.592 311 M HN 0.690 nan 8.290 nan 0.000 0.461 312 V N 4.851 124.808 119.914 0.072 0.000 2.448 312 V HA 0.325 4.473 4.120 0.047 0.000 0.295 312 V C -0.459 175.570 176.094 -0.109 0.000 1.025 312 V CA -0.828 61.492 62.300 0.033 0.000 0.859 312 V CB 1.678 33.516 31.823 0.025 0.000 0.988 312 V HN 0.838 nan 8.190 nan 0.000 0.431 313 N N 2.449 121.014 118.700 -0.225 0.000 2.437 313 N HA 0.446 5.214 4.740 0.047 0.000 0.259 313 N C -0.234 175.112 175.510 -0.272 0.000 0.983 313 N CA -0.391 52.458 53.050 -0.335 0.000 0.937 313 N CB 1.071 39.225 38.487 -0.554 0.000 1.122 313 N HN 0.833 nan 8.380 nan 0.000 0.499 314 T N 0.528 114.930 114.554 -0.253 0.000 2.743 314 T HA 0.270 4.648 4.350 0.047 0.000 0.292 314 T C -0.509 174.110 174.700 -0.135 0.000 0.972 314 T CA -0.665 61.345 62.100 -0.150 0.000 0.967 314 T CB 0.107 68.895 68.868 -0.132 0.000 0.926 314 T HN 0.344 nan 8.240 nan 0.000 0.459 315 W N 3.770 125.059 121.300 -0.019 0.000 2.507 315 W HA 0.405 5.093 4.660 0.047 0.000 0.334 315 W C 1.181 177.752 176.519 0.088 0.000 1.165 315 W CA -0.757 56.643 57.345 0.091 0.000 1.460 315 W CB 0.211 29.797 29.460 0.210 0.000 1.404 315 W HN 0.529 nan 8.180 nan 0.000 0.435 316 V N 4.154 124.199 119.914 0.219 0.000 2.343 316 V HA -0.326 3.822 4.120 0.047 0.000 0.247 316 V C 2.273 178.507 176.094 0.233 0.000 1.051 316 V CA 1.587 63.993 62.300 0.177 0.000 1.036 316 V CB -0.752 31.135 31.823 0.108 0.000 0.654 316 V HN 0.652 nan 8.190 nan 0.000 0.451 317 L N -0.240 121.160 121.223 0.296 0.000 2.043 317 L HA -0.247 4.121 4.340 0.047 0.000 0.212 317 L C 2.640 179.658 176.870 0.246 0.000 1.075 317 L CA 2.400 57.401 54.840 0.268 0.000 0.752 317 L CB -0.361 41.921 42.059 0.371 0.000 0.891 317 L HN 0.499 nan 8.230 nan 0.000 0.432 318 S N -0.883 115.020 115.700 0.339 0.000 2.357 318 S HA -0.093 4.405 4.470 0.047 0.000 0.221 318 S C 2.055 176.789 174.600 0.223 0.000 1.031 318 S CA 0.991 59.338 58.200 0.245 0.000 0.982 318 S CB -0.051 63.345 63.200 0.326 0.000 0.853 318 S HN 0.539 nan 8.310 nan 0.000 0.458 319 A N 1.652 124.633 122.820 0.269 0.000 1.972 319 A HA -0.064 4.284 4.320 0.047 0.000 0.219 319 A C 1.918 179.720 177.584 0.364 0.000 1.169 319 A CA 1.744 53.963 52.037 0.304 0.000 0.635 319 A CB -0.802 18.340 19.000 0.237 0.000 0.810 319 A HN 0.601 nan 8.150 nan 0.000 0.446 320 N N -0.391 118.478 118.700 0.281 0.000 2.331 320 N HA -0.037 4.731 4.740 0.047 0.000 0.180 320 N C 0.955 176.559 175.510 0.156 0.000 1.019 320 N CA 0.669 53.855 53.050 0.226 0.000 0.881 320 N CB -0.068 38.496 38.487 0.128 0.000 0.972 320 N HN 0.227 nan 8.380 nan 0.000 0.435 321 R N 0.755 121.333 120.500 0.131 0.000 2.586 321 R HA 0.171 4.539 4.340 0.047 0.000 0.306 321 R C -0.527 175.827 176.300 0.090 0.000 1.079 321 R CA -0.207 55.944 56.100 0.085 0.000 1.083 321 R CB -0.627 29.690 30.300 0.028 0.000 1.306 321 R HN 0.131 nan 8.270 nan 0.000 0.567 322 D N 0.338 120.814 120.400 0.127 0.000 2.232 322 D HA 0.048 4.716 4.640 0.047 0.000 0.242 322 D C 1.032 177.361 176.300 0.048 0.000 1.093 322 D CA -0.135 53.914 54.000 0.080 0.000 0.845 322 D CB 1.523 42.391 40.800 0.112 0.000 1.124 322 D HN 0.049 nan 8.370 nan 0.000 0.467 323 S N 2.539 118.253 115.700 0.023 0.000 2.461 323 S HA -0.105 4.393 4.470 0.047 0.000 0.228 323 S C 1.029 175.616 174.600 -0.022 0.000 1.005 323 S CA 0.378 58.585 58.200 0.012 0.000 0.942 323 S CB 0.066 63.271 63.200 0.009 0.000 0.776 323 S HN 0.445 nan 8.310 nan 0.000 0.514 324 D N 2.010 122.394 120.400 -0.028 0.000 2.309 324 D HA 0.115 4.783 4.640 0.047 0.000 0.212 324 D C 1.743 177.971 176.300 -0.120 0.000 0.968 324 D CA 1.215 55.187 54.000 -0.047 0.000 0.882 324 D CB -0.088 40.703 40.800 -0.016 0.000 0.918 324 D HN 0.646 nan 8.370 nan 0.000 0.503 325 A N -0.613 122.079 122.820 -0.213 0.000 2.127 325 A HA 0.065 4.413 4.320 0.047 0.000 0.204 325 A C 0.464 177.647 177.584 -0.667 0.000 1.243 325 A CA 0.184 51.908 52.037 -0.522 0.000 0.887 325 A CB 0.441 18.852 19.000 -0.983 0.000 0.933 325 A HN 0.118 nan 8.150 nan 0.000 0.479 326 H N 0.882 119.876 119.070 -0.127 0.000 2.840 326 H HA 0.231 4.804 4.556 0.028 0.000 0.340 326 H C -1.555 173.747 175.328 -0.042 0.000 1.004 326 H CA -1.102 54.899 56.048 -0.079 0.000 1.288 326 H CB 1.175 30.902 29.762 -0.059 0.000 1.607 326 H HN 0.209 nan 8.280 nan 0.000 0.522 327 D N 3.027 123.471 120.400 0.073 0.000 2.455 327 D HA -0.026 4.642 4.640 0.047 0.000 0.241 327 D C 0.190 176.521 176.300 0.051 0.000 1.138 327 D CA 0.657 54.682 54.000 0.042 0.000 0.877 327 D CB 0.478 41.291 40.800 0.021 0.000 1.187 327 D HN 0.487 nan 8.370 nan 0.000 0.451 328 D N 1.987 122.412 120.400 0.041 0.000 2.803 328 D HA -0.141 4.527 4.640 0.047 0.000 0.233 328 D C -1.482 174.856 176.300 0.063 0.000 1.182 328 D CA -0.038 53.988 54.000 0.044 0.000 0.726 328 D CB -0.485 40.334 40.800 0.032 0.000 0.987 328 D HN 0.375 nan 8.370 nan 0.000 0.412 329 P HA -0.158 nan 4.420 nan 0.000 0.218 329 P C 0.752 178.129 177.300 0.128 0.000 1.148 329 P CA 1.099 64.256 63.100 0.096 0.000 0.822 329 P CB 0.328 32.083 31.700 0.092 0.000 0.784 330 D N -0.883 119.602 120.400 0.142 0.000 2.325 330 D HA 0.051 4.719 4.640 0.047 0.000 0.225 330 D C 0.671 177.166 176.300 0.326 0.000 1.096 330 D CA 0.060 54.203 54.000 0.238 0.000 0.844 330 D CB 0.161 41.048 40.800 0.144 0.000 0.925 330 D HN 0.166 nan 8.370 nan 0.000 0.513 331 R N 0.611 121.221 120.500 0.184 0.000 2.254 331 R HA 0.189 4.557 4.340 0.047 0.000 0.318 331 R C -0.621 175.636 176.300 -0.073 0.000 1.031 331 R CA -0.596 55.554 56.100 0.084 0.000 0.905 331 R CB 0.543 30.863 30.300 0.033 0.000 1.050 331 R HN -0.168 nan 8.270 nan 0.000 0.456 332 F N 4.233 123.869 119.950 -0.522 0.000 2.466 332 F HA 0.158 4.707 4.527 0.037 0.000 0.363 332 F C -0.511 174.989 175.800 -0.500 0.000 1.109 332 F CA -0.080 57.395 58.000 -0.874 0.000 1.161 332 F CB 0.476 38.493 39.000 -1.638 0.000 1.117 332 F HN 0.429 nan 8.300 nan 0.000 0.539 333 D N 8.464 128.365 120.400 -0.832 0.000 2.330 333 D HA 0.317 4.985 4.640 0.047 0.000 0.249 333 D C -2.291 173.646 176.300 -0.606 0.000 1.306 333 D CA -2.098 51.559 54.000 -0.571 0.000 0.956 333 D CB 1.587 42.235 40.800 -0.254 0.000 1.261 333 D HN 0.171 nan 8.370 nan 0.000 0.544 334 P HA -0.108 nan 4.420 nan 0.000 0.226 334 P C 1.048 178.201 177.300 -0.244 0.000 1.146 334 P CA 0.887 63.683 63.100 -0.507 0.000 0.773 334 P CB 0.201 31.608 31.700 -0.489 0.000 0.772 335 S N -1.941 113.649 115.700 -0.183 0.000 2.603 335 S HA 0.065 4.563 4.470 0.047 0.000 0.220 335 S C 0.861 175.415 174.600 -0.076 0.000 0.967 335 S CA -0.391 57.752 58.200 -0.095 0.000 0.920 335 S CB -0.619 62.546 63.200 -0.058 0.000 0.773 335 S HN 0.097 nan 8.310 nan 0.000 0.529 336 R N 1.676 122.118 120.500 -0.098 0.000 2.784 336 R HA 0.256 4.623 4.340 0.047 0.000 0.266 336 R C -0.319 175.965 176.300 -0.026 0.000 1.044 336 R CA -0.061 56.010 56.100 -0.049 0.000 1.151 336 R CB 0.221 30.492 30.300 -0.048 0.000 1.037 336 R HN 0.263 nan 8.270 nan 0.000 0.478 337 K N 1.346 121.750 120.400 0.006 0.000 2.339 337 K HA 0.124 4.472 4.320 0.047 0.000 0.286 337 K C -0.183 176.441 176.600 0.040 0.000 1.050 337 K CA -0.016 56.282 56.287 0.020 0.000 0.956 337 K CB 0.908 33.424 32.500 0.026 0.000 0.990 337 K HN 0.768 nan 8.250 nan 0.000 0.475 338 S N 0.804 116.527 115.700 0.040 0.000 2.625 338 S HA 0.864 5.362 4.470 0.047 0.000 0.271 338 S C -0.299 174.348 174.600 0.078 0.000 1.161 338 S CA -0.381 57.857 58.200 0.063 0.000 0.820 338 S CB 1.992 65.209 63.200 0.029 0.000 1.137 338 S HN 0.975 nan 8.310 nan 0.000 0.470 339 G N -0.685 108.186 108.800 0.118 0.000 2.497 339 G HA2 0.463 4.451 3.960 0.047 0.000 0.686 339 G HA3 0.463 4.451 3.960 0.047 0.000 0.686 339 G C 0.682 175.669 174.900 0.146 0.000 1.288 339 G CA 0.169 45.351 45.100 0.137 0.000 0.899 339 G HN 2.474 nan 8.290 nan 0.000 0.608 340 G N 0.017 108.903 108.800 0.143 0.000 2.596 340 G HA2 0.120 4.108 3.960 0.047 0.000 0.334 340 G HA3 0.120 4.108 3.960 0.047 0.000 0.334 340 G C 1.833 176.768 174.900 0.058 0.000 1.351 340 G CA 2.637 47.790 45.100 0.088 0.000 0.965 340 G HN 2.531 nan 8.290 nan 0.000 0.533 341 A N -0.673 122.056 122.820 -0.152 0.000 2.125 341 A HA 0.362 4.710 4.320 0.047 0.000 0.219 341 A C 2.729 180.284 177.584 -0.049 0.000 1.156 341 A CA 2.303 54.076 52.037 -0.439 0.000 0.671 341 A CB -0.647 18.110 19.000 -0.404 0.000 0.794 341 A HN 2.095 nan 8.150 nan 0.000 0.459 342 A N -1.174 121.714 122.820 0.113 0.000 2.206 342 A HA 0.108 4.456 4.320 0.047 0.000 0.211 342 A C 1.299 179.073 177.584 0.317 0.000 1.158 342 A CA 0.742 52.909 52.037 0.217 0.000 0.761 342 A CB -0.211 18.886 19.000 0.163 0.000 0.801 342 A HN 0.414 nan 8.150 nan 0.000 0.473 343 Q N 0.382 120.432 119.800 0.417 0.000 2.402 343 Q HA 0.323 4.691 4.340 0.047 0.000 0.238 343 Q C 0.548 176.807 176.000 0.433 0.000 1.126 343 Q CA -0.236 55.812 55.803 0.408 0.000 0.904 343 Q CB 0.343 29.371 28.738 0.484 0.000 1.357 343 Q HN 0.302 nan 8.270 nan 0.000 0.491 344 L N 2.571 123.975 121.223 0.302 0.000 2.191 344 L HA -0.095 4.273 4.340 0.047 0.000 0.212 344 L C 1.507 178.457 176.870 0.133 0.000 1.103 344 L CA 1.650 56.636 54.840 0.243 0.000 0.769 344 L CB -0.336 41.851 42.059 0.213 0.000 0.908 344 L HN 0.613 nan 8.230 nan 0.000 0.438 345 S N -0.928 114.779 115.700 0.012 0.000 2.469 345 S HA -0.096 4.402 4.470 0.047 0.000 0.238 345 S C 1.383 175.850 174.600 -0.221 0.000 0.998 345 S CA 1.074 59.190 58.200 -0.139 0.000 0.957 345 S CB -0.481 62.553 63.200 -0.276 0.000 0.764 345 S HN 0.495 nan 8.310 nan 0.000 0.514 346 F N 1.349 121.286 119.950 -0.022 0.000 2.660 346 F HA 0.344 4.902 4.527 0.051 0.000 0.302 346 F C 1.664 177.248 175.800 -0.359 0.000 1.103 346 F CA -0.105 57.706 58.000 -0.315 0.000 1.340 346 F CB -0.002 38.520 39.000 -0.797 0.000 1.048 346 F HN 0.331 nan 8.300 nan 0.000 0.551 347 G N 0.680 109.543 108.800 0.105 0.000 2.527 347 G HA2 -0.244 3.744 3.960 0.047 0.000 0.227 347 G HA3 -0.244 3.744 3.960 0.047 0.000 0.227 347 G C -1.302 173.870 174.900 0.453 0.000 1.291 347 G CA -0.391 44.827 45.100 0.196 0.000 0.904 347 G HN 0.505 nan 8.290 nan 0.000 0.577 348 H N -0.590 118.672 119.070 0.320 0.000 3.163 348 H HA 0.652 5.237 4.556 0.049 0.000 0.322 348 H C 0.529 175.997 175.328 0.234 0.000 1.047 348 H CA 1.914 58.146 56.048 0.306 0.000 1.418 348 H CB 0.861 30.713 29.762 0.150 0.000 2.016 348 H HN 2.600 nan 8.280 nan 0.000 0.454 349 G N 1.628 110.284 108.800 -0.240 0.000 2.488 349 G HA2 -0.249 3.739 3.960 0.047 0.000 0.237 349 G HA3 -0.249 3.739 3.960 0.047 0.000 0.237 349 G C 1.230 176.131 174.900 0.003 0.000 1.209 349 G CA 0.550 45.522 45.100 -0.214 0.000 0.929 349 G HN 1.501 nan 8.290 nan 0.000 0.578 350 V N -2.415 117.485 119.914 -0.022 0.000 2.720 350 V HA 0.016 4.164 4.120 0.047 0.000 0.256 350 V C 1.934 178.000 176.094 -0.047 0.000 1.082 350 V CA 2.946 65.220 62.300 -0.044 0.000 1.101 350 V CB -0.800 30.944 31.823 -0.132 0.000 0.693 350 V HN 0.761 nan 8.190 nan 0.000 0.479 351 H N -1.068 118.044 119.070 0.070 0.000 2.517 351 H HA 0.353 4.936 4.556 0.046 0.000 0.282 351 H C 0.403 175.828 175.328 0.162 0.000 1.023 351 H CA -0.566 55.531 56.048 0.082 0.000 1.169 351 H CB -0.051 29.692 29.762 -0.033 0.000 1.454 351 H HN 0.525 nan 8.280 nan 0.000 0.556 352 F N 1.534 121.573 119.950 0.147 0.000 2.612 352 F HA -0.091 4.462 4.527 0.044 0.000 0.389 352 F C 0.666 176.549 175.800 0.137 0.000 1.055 352 F CA -0.620 57.467 58.000 0.145 0.000 1.232 352 F CB 0.081 39.140 39.000 0.097 0.000 1.044 352 F HN 0.189 nan 8.300 nan 0.000 0.560 353 C N 8.683 127.743 119.300 -0.399 0.000 1.694 353 C HA -0.154 4.334 4.460 0.047 0.000 0.433 353 C C 1.723 176.655 174.990 -0.097 0.000 1.519 353 C CA -0.076 58.788 59.018 -0.257 0.000 1.542 353 C CB -1.756 25.771 27.740 -0.355 0.000 2.847 353 C HN 0.999 nan 8.230 nan 0.000 0.589 354 L N 6.305 127.566 121.223 0.064 0.000 2.156 354 L HA 0.199 4.567 4.340 0.047 0.000 0.208 354 L C 2.305 179.315 176.870 0.233 0.000 1.095 354 L CA 2.351 57.304 54.840 0.188 0.000 0.770 354 L CB -0.786 41.424 42.059 0.253 0.000 0.914 354 L HN 0.896 nan 8.230 nan 0.000 0.439 355 G N -1.656 107.219 108.800 0.124 0.000 2.744 355 G HA2 -0.028 3.960 3.960 0.047 0.000 0.211 355 G HA3 -0.028 3.960 3.960 0.047 0.000 0.211 355 G C 1.599 176.476 174.900 -0.038 0.000 1.143 355 G CA 0.548 45.737 45.100 0.149 0.000 0.788 355 G HN 0.557 nan 8.290 nan 0.000 0.534 356 A N 2.024 124.645 122.820 -0.332 0.000 1.927 356 A HA -0.083 4.265 4.320 0.047 0.000 0.220 356 A C 0.723 178.138 177.584 -0.282 0.000 1.185 356 A CA 2.046 53.619 52.037 -0.773 0.000 0.639 356 A CB -1.112 17.231 19.000 -1.095 0.000 0.820 356 A HN 0.397 nan 8.150 nan 0.000 0.451 357 P HA -0.053 nan 4.420 nan 0.000 0.222 357 P C 1.527 178.833 177.300 0.011 0.000 1.153 357 P CA 0.475 63.561 63.100 -0.024 0.000 0.798 357 P CB -0.040 31.642 31.700 -0.031 0.000 0.796 358 L N 0.377 121.623 121.223 0.038 0.000 1.988 358 L HA -0.054 4.314 4.340 0.047 0.000 0.207 358 L C 2.358 179.288 176.870 0.100 0.000 1.071 358 L CA 2.103 56.995 54.840 0.086 0.000 0.744 358 L CB -1.715 40.453 42.059 0.182 0.000 0.893 358 L HN -0.097 nan 8.230 nan 0.000 0.433 359 A N -0.085 122.806 122.820 0.118 0.000 1.896 359 A HA -0.307 4.041 4.320 0.047 0.000 0.220 359 A C 2.382 180.073 177.584 0.177 0.000 1.206 359 A CA 2.429 54.571 52.037 0.175 0.000 0.647 359 A CB -0.725 18.451 19.000 0.293 0.000 0.828 359 A HN 0.555 nan 8.150 nan 0.000 0.455 360 R N -1.344 119.263 120.500 0.178 0.000 2.081 360 R HA -0.116 4.252 4.340 0.047 0.000 0.235 360 R C 2.173 178.538 176.300 0.109 0.000 1.131 360 R CA 1.424 57.621 56.100 0.162 0.000 0.960 360 R CB -0.733 29.663 30.300 0.161 0.000 0.856 360 R HN 0.517 nan 8.270 nan 0.000 0.436 361 L N 1.543 122.816 121.223 0.084 0.000 1.973 361 L HA -0.130 4.238 4.340 0.047 0.000 0.208 361 L C 2.097 179.011 176.870 0.072 0.000 1.073 361 L CA 1.813 56.693 54.840 0.066 0.000 0.746 361 L CB -0.572 41.515 42.059 0.048 0.000 0.891 361 L HN 0.094 nan 8.230 nan 0.000 0.433 362 E N -0.461 119.786 120.200 0.078 0.000 2.114 362 E HA -0.273 4.105 4.350 0.047 0.000 0.199 362 E C 1.900 178.549 176.600 0.081 0.000 1.008 362 E CA 1.678 58.124 56.400 0.076 0.000 0.810 362 E CB -0.157 29.591 29.700 0.081 0.000 0.739 362 E HN 0.598 nan 8.360 nan 0.000 0.456 363 N N 0.038 118.793 118.700 0.092 0.000 2.300 363 N HA -0.110 4.658 4.740 0.047 0.000 0.179 363 N C 1.878 177.439 175.510 0.086 0.000 1.016 363 N CA 0.428 53.532 53.050 0.090 0.000 0.876 363 N CB -0.063 38.480 38.487 0.094 0.000 0.979 363 N HN 0.144 nan 8.380 nan 0.000 0.432 364 R N 1.430 121.980 120.500 0.083 0.000 2.070 364 R HA -0.054 4.314 4.340 0.047 0.000 0.233 364 R C 1.984 178.330 176.300 0.077 0.000 1.137 364 R CA 1.170 57.315 56.100 0.076 0.000 0.945 364 R CB -0.328 30.014 30.300 0.070 0.000 0.845 364 R HN -0.108 nan 8.270 nan 0.000 0.430 365 V N 1.519 121.476 119.914 0.072 0.000 2.332 365 V HA -0.267 3.881 4.120 0.047 0.000 0.248 365 V C 2.573 178.717 176.094 0.083 0.000 1.055 365 V CA 2.000 64.341 62.300 0.069 0.000 1.038 365 V CB -0.865 30.992 31.823 0.058 0.000 0.651 365 V HN 0.599 nan 8.190 nan 0.000 0.450 366 A N -0.392 122.483 122.820 0.091 0.000 1.902 366 A HA -0.179 4.169 4.320 0.047 0.000 0.217 366 A C 2.151 179.821 177.584 0.145 0.000 1.181 366 A CA 2.012 54.116 52.037 0.112 0.000 0.623 366 A CB -0.526 18.541 19.000 0.111 0.000 0.818 366 A HN 0.440 nan 8.150 nan 0.000 0.443 367 L N 0.107 121.410 121.223 0.134 0.000 2.056 367 L HA -0.083 4.285 4.340 0.047 0.000 0.207 367 L C 2.144 179.119 176.870 0.175 0.000 1.078 367 L CA 2.167 57.105 54.840 0.162 0.000 0.749 367 L CB -0.771 41.352 42.059 0.106 0.000 0.901 367 L HN 0.518 nan 8.230 nan 0.000 0.433 368 E N -0.656 119.621 120.200 0.128 0.000 2.085 368 E HA -0.222 4.156 4.350 0.047 0.000 0.194 368 E C 1.941 178.611 176.600 0.117 0.000 0.994 368 E CA 1.382 57.851 56.400 0.114 0.000 0.801 368 E CB -0.046 29.703 29.700 0.081 0.000 0.743 368 E HN 0.488 nan 8.360 nan 0.000 0.453 369 E N 0.367 120.634 120.200 0.112 0.000 2.152 369 E HA -0.108 4.270 4.350 0.047 0.000 0.192 369 E C 2.134 178.812 176.600 0.130 0.000 0.983 369 E CA 0.549 57.005 56.400 0.092 0.000 0.818 369 E CB -0.054 29.691 29.700 0.074 0.000 0.758 369 E HN 0.358 nan 8.360 nan 0.000 0.467 370 I N 0.481 121.189 120.570 0.231 0.000 2.202 370 I HA -0.261 3.937 4.170 0.047 0.000 0.242 370 I C 2.074 178.395 176.117 0.339 0.000 1.091 370 I CA 0.682 62.207 61.300 0.374 0.000 1.368 370 I CB -0.173 38.090 38.000 0.439 0.000 1.058 370 I HN 0.027 nan 8.210 nan 0.000 0.410 371 I N 1.071 121.826 120.570 0.309 0.000 2.142 371 I HA -0.270 3.928 4.170 0.047 0.000 0.240 371 I C 2.713 178.911 176.117 0.136 0.000 1.078 371 I CA 1.721 63.179 61.300 0.264 0.000 1.343 371 I CB -1.025 37.147 38.000 0.285 0.000 1.046 371 I HN 0.151 nan 8.210 nan 0.000 0.405 372 A N 0.164 123.039 122.820 0.092 0.000 1.927 372 A HA -0.318 4.030 4.320 0.047 0.000 0.220 372 A C 2.547 180.103 177.584 -0.048 0.000 1.185 372 A CA 2.564 54.615 52.037 0.024 0.000 0.639 372 A CB -0.725 18.285 19.000 0.016 0.000 0.820 372 A HN 0.450 nan 8.150 nan 0.000 0.451 373 R N -2.164 118.259 120.500 -0.127 0.000 2.057 373 R HA 0.060 4.428 4.340 0.047 0.000 0.224 373 R C 1.510 177.569 176.300 -0.401 0.000 1.136 373 R CA 1.606 57.484 56.100 -0.370 0.000 0.968 373 R CB -0.251 29.637 30.300 -0.687 0.000 0.863 373 R HN 0.438 nan 8.270 nan 0.000 0.433 374 F N -0.580 119.376 119.950 0.010 0.000 2.717 374 F HA 0.407 4.961 4.527 0.046 0.000 0.295 374 F C 1.796 177.548 175.800 -0.081 0.000 1.117 374 F CA 0.544 58.525 58.000 -0.032 0.000 1.361 374 F CB 0.588 39.564 39.000 -0.040 0.000 1.112 374 F HN 0.406 nan 8.300 nan 0.000 0.594 375 G N 1.258 110.114 108.800 0.094 0.000 3.078 375 G HA2 -0.371 3.617 3.960 0.047 0.000 0.227 375 G HA3 -0.371 3.617 3.960 0.047 0.000 0.227 375 G C 0.514 175.336 174.900 -0.130 0.000 1.306 375 G CA 0.623 45.744 45.100 0.035 0.000 0.841 375 G HN 0.595 nan 8.290 nan 0.000 0.530 376 R N -1.152 119.128 120.500 -0.366 0.000 2.692 376 R HA 0.792 5.160 4.340 0.047 0.000 0.269 376 R C -1.178 174.636 176.300 -0.811 0.000 1.030 376 R CA -1.073 54.339 56.100 -1.148 0.000 0.882 376 R CB 0.745 30.191 30.300 -1.424 0.000 1.250 376 R HN 0.409 nan 8.270 nan 0.000 0.465 377 L N 0.894 121.498 121.223 -1.032 0.000 2.333 377 L HA 0.723 5.091 4.340 0.047 0.000 0.269 377 L C -0.284 176.377 176.870 -0.348 0.000 1.010 377 L CA -0.995 53.531 54.840 -0.524 0.000 0.818 377 L CB 2.579 44.428 42.059 -0.350 0.000 1.306 377 L HN 0.965 nan 8.230 nan 0.000 0.430 378 T N -1.289 113.125 114.554 -0.232 0.000 2.841 378 T HA 0.576 4.954 4.350 0.047 0.000 0.283 378 T C -0.380 174.257 174.700 -0.104 0.000 1.000 378 T CA -0.743 61.290 62.100 -0.110 0.000 0.977 378 T CB 1.590 70.398 68.868 -0.101 0.000 0.979 378 T HN 0.164 nan 8.240 nan 0.000 0.446 379 V N 3.349 123.237 119.914 -0.043 0.000 2.521 379 V HA 0.146 4.294 4.120 0.047 0.000 0.286 379 V C 0.721 176.773 176.094 -0.069 0.000 1.034 379 V CA -0.242 62.021 62.300 -0.061 0.000 1.045 379 V CB 0.513 32.321 31.823 -0.024 0.000 0.974 379 V HN 0.986 nan 8.190 nan 0.000 0.480 380 D N 4.656 125.000 120.400 -0.094 0.000 2.470 380 D HA 0.116 4.784 4.640 0.047 0.000 0.226 380 D C 1.189 177.457 176.300 -0.054 0.000 1.196 380 D CA -0.147 53.806 54.000 -0.078 0.000 0.979 380 D CB 0.277 41.020 40.800 -0.095 0.000 1.059 380 D HN 0.399 nan 8.370 nan 0.000 0.515 381 R N 1.536 122.014 120.500 -0.036 0.000 2.339 381 R HA 0.032 4.400 4.340 0.047 0.000 0.199 381 R C 0.192 176.483 176.300 -0.015 0.000 1.018 381 R CA 0.550 56.638 56.100 -0.019 0.000 1.036 381 R CB 0.471 30.765 30.300 -0.010 0.000 0.899 381 R HN 0.282 nan 8.270 nan 0.000 0.473 382 D N -0.590 119.796 120.400 -0.025 0.000 2.503 382 D HA 0.016 4.684 4.640 0.047 0.000 0.218 382 D C -0.530 175.754 176.300 -0.027 0.000 1.183 382 D CA 0.080 54.067 54.000 -0.022 0.000 0.827 382 D CB 0.438 41.225 40.800 -0.022 0.000 1.034 382 D HN 0.072 nan 8.370 nan 0.000 0.510 383 D N 1.607 121.986 120.400 -0.035 0.000 2.325 383 D HA -0.006 4.662 4.640 0.047 0.000 0.251 383 D C 1.185 177.463 176.300 -0.036 0.000 1.196 383 D CA 0.073 54.047 54.000 -0.043 0.000 0.866 383 D CB 1.519 42.284 40.800 -0.057 0.000 1.101 383 D HN 0.042 nan 8.370 nan 0.000 0.476 384 E N 3.075 123.253 120.200 -0.036 0.000 2.233 384 E HA -0.246 4.132 4.350 0.047 0.000 0.199 384 E C 1.721 178.302 176.600 -0.031 0.000 1.004 384 E CA 0.977 57.359 56.400 -0.030 0.000 0.819 384 E CB 0.266 29.947 29.700 -0.032 0.000 0.738 384 E HN 0.386 nan 8.360 nan 0.000 0.478 385 R N 0.008 120.474 120.500 -0.055 0.000 2.152 385 R HA -0.022 4.346 4.340 0.047 0.000 0.232 385 R C 0.807 177.118 176.300 0.019 0.000 1.117 385 R CA 0.333 56.392 56.100 -0.068 0.000 0.981 385 R CB -0.192 30.002 30.300 -0.177 0.000 0.870 385 R HN 0.205 nan 8.270 nan 0.000 0.451 386 L N 2.574 123.800 121.223 0.004 0.000 2.574 386 L HA 0.015 4.383 4.340 0.047 0.000 0.281 386 L C -0.198 176.682 176.870 0.016 0.000 1.212 386 L CA 0.229 55.072 54.840 0.004 0.000 1.082 386 L CB -0.142 41.914 42.059 -0.005 0.000 1.362 386 L HN 0.085 nan 8.230 nan 0.000 0.451 387 R N 3.382 123.870 120.500 -0.020 0.000 2.670 387 R HA 0.393 4.761 4.340 0.047 0.000 0.289 387 R C -0.927 175.302 176.300 -0.117 0.000 0.965 387 R CA -0.738 55.357 56.100 -0.007 0.000 0.899 387 R CB 1.256 31.536 30.300 -0.034 0.000 1.173 387 R HN 0.551 nan 8.270 nan 0.000 0.456 388 H N 3.301 122.299 119.070 -0.120 0.000 2.487 388 H HA 0.177 4.760 4.556 0.045 0.000 0.333 388 H C -0.242 175.013 175.328 -0.121 0.000 1.114 388 H CA -0.302 55.689 56.048 -0.095 0.000 1.310 388 H CB 0.949 30.713 29.762 0.003 0.000 1.462 388 H HN 0.334 nan 8.280 nan 0.000 0.516 389 F N 1.274 121.273 119.950 0.082 0.000 2.572 389 F HA -0.085 4.470 4.527 0.045 0.000 0.370 389 F C 1.730 177.573 175.800 0.071 0.000 1.103 389 F CA 0.076 58.104 58.000 0.047 0.000 1.286 389 F CB 0.529 39.536 39.000 0.013 0.000 1.105 389 F HN 0.634 nan 8.300 nan 0.000 0.583 390 E N 0.639 120.976 120.200 0.227 0.000 2.318 390 E HA -0.065 4.313 4.350 0.047 0.000 0.193 390 E C 1.247 177.929 176.600 0.137 0.000 0.998 390 E CA 1.023 57.509 56.400 0.143 0.000 0.859 390 E CB 0.257 30.008 29.700 0.086 0.000 0.812 390 E HN 0.588 nan 8.360 nan 0.000 0.492 391 Q N -1.363 118.526 119.800 0.148 0.000 2.445 391 Q HA 0.218 4.586 4.340 0.047 0.000 0.257 391 Q C 1.282 177.330 176.000 0.079 0.000 0.806 391 Q CA 0.247 56.113 55.803 0.105 0.000 0.987 391 Q CB 0.668 29.451 28.738 0.075 0.000 1.248 391 Q HN 0.244 nan 8.270 nan 0.000 0.542 392 I N -0.475 120.126 120.570 0.052 0.000 3.339 392 I HA 0.172 4.370 4.170 0.047 0.000 0.285 392 I C 0.702 176.840 176.117 0.034 0.000 1.201 392 I CA 0.383 61.698 61.300 0.026 0.000 1.434 392 I CB 0.435 38.439 38.000 0.007 0.000 1.152 392 I HN -0.232 nan 8.210 nan 0.000 0.443 393 V N 1.785 121.668 119.914 -0.052 0.000 2.769 393 V HA 0.377 4.524 4.120 0.047 0.000 0.312 393 V C -0.699 175.363 176.094 -0.053 0.000 1.061 393 V CA -0.773 61.414 62.300 -0.188 0.000 0.931 393 V CB 3.106 34.592 31.823 -0.562 0.000 1.010 393 V HN -0.023 nan 8.190 nan 0.000 0.433 394 L N 4.596 125.785 121.223 -0.057 0.000 2.315 394 L HA 0.824 5.192 4.340 0.047 0.000 0.278 394 L C 0.351 177.247 176.870 0.043 0.000 1.088 394 L CA 0.958 55.826 54.840 0.047 0.000 0.899 394 L CB -0.019 42.063 42.059 0.039 0.000 1.277 394 L HN 0.859 nan 8.230 nan 0.000 0.431 395 G N 1.407 110.309 108.800 0.170 0.000 2.428 395 G HA2 0.493 4.481 3.960 0.047 0.000 0.304 395 G HA3 0.493 4.481 3.960 0.047 0.000 0.304 395 G C -1.219 173.773 174.900 0.153 0.000 1.303 395 G CA -0.012 45.184 45.100 0.160 0.000 0.825 395 G HN 0.464 nan 8.290 nan 0.000 0.484 396 T N -2.588 111.962 114.554 -0.007 0.000 2.887 396 T HA 0.573 4.951 4.350 0.047 0.000 0.288 396 T C 0.888 175.393 174.700 -0.324 0.000 1.021 396 T CA -0.528 61.394 62.100 -0.297 0.000 1.000 396 T CB 2.481 71.118 68.868 -0.385 0.000 1.034 396 T HN 0.707 nan 8.240 nan 0.000 0.467 397 R N 0.608 120.697 120.500 -0.685 0.000 2.193 397 R HA 0.112 4.480 4.340 0.047 0.000 0.213 397 R C 0.348 176.242 176.300 -0.678 0.000 1.055 397 R CA 1.118 56.768 56.100 -0.750 0.000 0.995 397 R CB -0.165 29.610 30.300 -0.875 0.000 0.893 397 R HN 0.784 nan 8.270 nan 0.000 0.459 398 H N -1.592 117.387 119.070 -0.152 0.000 2.949 398 H HA 0.459 5.043 4.556 0.046 0.000 0.356 398 H C -1.507 173.772 175.328 -0.082 0.000 1.212 398 H CA -0.984 55.015 56.048 -0.080 0.000 1.136 398 H CB 1.688 31.403 29.762 -0.078 0.000 1.869 398 H HN -0.013 nan 8.280 nan 0.000 0.556 399 L N 2.563 123.836 121.223 0.084 0.000 2.487 399 L HA 0.290 4.658 4.340 0.047 0.000 0.261 399 L C -2.846 173.985 176.870 -0.066 0.000 1.223 399 L CA -1.137 53.697 54.840 -0.009 0.000 0.883 399 L CB 1.187 43.236 42.059 -0.016 0.000 1.065 399 L HN 0.262 nan 8.230 nan 0.000 0.488 400 P HA 0.227 nan 4.420 nan 0.000 0.267 400 P C -0.838 176.326 177.300 -0.227 0.000 1.209 400 P CA 0.156 63.163 63.100 -0.155 0.000 0.763 400 P CB 0.869 32.505 31.700 -0.108 0.000 0.816 401 V N 1.882 121.549 119.914 -0.412 0.000 3.074 401 V HA 0.649 4.796 4.120 0.047 0.000 0.314 401 V C -0.834 174.967 176.094 -0.488 0.000 1.117 401 V CA -1.124 60.898 62.300 -0.464 0.000 1.014 401 V CB 2.196 33.662 31.823 -0.595 0.000 1.057 401 V HN 0.185 nan 8.190 nan 0.000 0.438 402 L N 2.367 123.371 121.223 -0.366 0.000 2.372 402 L HA 0.809 5.177 4.340 0.047 0.000 0.274 402 L C 0.430 177.133 176.870 -0.277 0.000 0.988 402 L CA -0.735 53.947 54.840 -0.263 0.000 0.833 402 L CB 1.712 43.674 42.059 -0.161 0.000 1.236 402 L HN 1.007 nan 8.230 nan 0.000 0.410 403 A N 2.043 124.720 122.820 -0.239 0.000 2.407 403 A HA 0.483 4.831 4.320 0.047 0.000 0.248 403 A C 1.319 178.862 177.584 -0.068 0.000 1.082 403 A CA 0.419 52.335 52.037 -0.202 0.000 0.785 403 A CB 0.734 19.729 19.000 -0.008 0.000 1.020 403 A HN 0.946 nan 8.150 nan 0.000 0.489 404 G N 0.636 109.408 108.800 -0.047 0.000 2.491 404 G HA2 0.116 4.104 3.960 0.047 0.000 0.218 404 G HA3 0.116 4.104 3.960 0.047 0.000 0.218 404 G C 0.607 175.542 174.900 0.059 0.000 1.180 404 G CA 1.535 46.630 45.100 -0.008 0.000 0.774 404 G HN 1.913 nan 8.290 nan 0.000 0.562 405 S N -1.871 113.923 115.700 0.158 0.000 2.548 405 S HA 0.592 5.090 4.470 0.047 0.000 0.278 405 S C -0.845 173.884 174.600 0.215 0.000 1.150 405 S CA 0.203 58.490 58.200 0.145 0.000 0.907 405 S CB 1.810 65.049 63.200 0.065 0.000 1.108 405 S HN 1.476 nan 8.310 nan 0.000 0.459 406 S N 0.865 116.677 115.700 0.187 0.000 2.678 406 S HA 0.821 5.319 4.470 0.047 0.000 0.290 406 S C -3.529 171.141 174.600 0.116 0.000 1.047 406 S CA -0.816 57.483 58.200 0.164 0.000 0.851 406 S CB 1.058 64.498 63.200 0.400 0.000 1.058 406 S HN 0.614 nan 8.310 nan 0.000 0.451 407 P HA 0.685 nan 4.420 nan 0.000 0.341 407 P C -0.483 176.826 177.300 0.015 0.000 1.255 407 P CA -0.863 62.259 63.100 0.036 0.000 0.790 407 P CB 0.778 32.486 31.700 0.013 0.000 1.437 408 R N 0.000 120.501 120.500 0.001 0.000 2.786 408 R HA 0.000 4.368 4.340 0.047 0.000 0.208 408 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 408 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 408 R HN 0.000 nan 8.270 nan 0.000 0.535