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 1wyt_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.166 176.300 -0.223 0.000 1.140 1 M CA 0.000 55.204 55.300 -0.161 0.000 0.988 1 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 2 D N -1.072 119.164 120.400 -0.273 0.000 2.559 2 D HA 0.643 5.283 4.640 -0.000 0.000 0.250 2 D C -0.891 175.151 176.300 -0.430 0.000 1.135 2 D CA -0.420 53.411 54.000 -0.283 0.000 0.955 2 D CB 1.042 41.792 40.800 -0.082 0.000 1.442 2 D HN 0.541 nan 8.370 nan 0.000 0.471 3 Y N -0.706 119.611 120.300 0.028 0.000 2.555 3 Y HA 0.315 4.865 4.550 -0.000 0.000 0.259 3 Y C 0.721 176.652 175.900 0.053 0.000 1.179 3 Y CA -0.520 57.600 58.100 0.034 0.000 1.230 3 Y CB 0.679 39.155 38.460 0.027 0.000 1.146 3 Y HN 0.289 nan 8.280 nan 0.000 0.526 4 T N 4.315 118.959 114.554 0.151 0.000 2.870 4 T HA 0.054 4.404 4.350 -0.000 0.000 0.300 4 T C -1.144 173.656 174.700 0.166 0.000 0.989 4 T CA -0.830 61.385 62.100 0.191 0.000 1.139 4 T CB 0.870 69.837 68.868 0.163 0.000 0.920 4 T HN 0.218 nan 8.240 nan 0.000 0.537 5 P HA 0.093 nan 4.420 nan 0.000 0.252 5 P C -0.300 176.991 177.300 -0.015 0.000 1.218 5 P CA 0.081 63.192 63.100 0.018 0.000 0.807 5 P CB 0.197 31.852 31.700 -0.075 0.000 1.072 6 H N 1.356 120.440 119.070 0.023 0.000 3.004 6 H HA 0.213 4.769 4.556 -0.000 0.000 0.316 6 H C 1.210 176.547 175.328 0.015 0.000 1.014 6 H CA 0.440 56.499 56.048 0.019 0.000 1.454 6 H CB -0.031 29.744 29.762 0.022 0.000 1.472 6 H HN 0.069 nan 8.280 nan 0.000 0.571 7 T N 0.019 114.637 114.554 0.106 0.000 2.927 7 T HA 0.129 4.479 4.350 -0.000 0.000 0.281 7 T C 1.281 176.023 174.700 0.071 0.000 0.998 7 T CA -1.015 61.125 62.100 0.067 0.000 1.019 7 T CB 1.380 70.269 68.868 0.035 0.000 1.061 7 T HN 0.490 nan 8.240 nan 0.000 0.518 8 E N 0.951 121.180 120.200 0.047 0.000 2.049 8 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 8 E C 2.099 178.722 176.600 0.038 0.000 1.007 8 E CA 2.189 58.612 56.400 0.039 0.000 0.809 8 E CB -0.361 29.354 29.700 0.026 0.000 0.749 8 E HN 0.991 nan 8.360 nan 0.000 0.450 9 E N 0.585 120.804 120.200 0.032 0.000 2.150 9 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 9 E C 1.941 178.563 176.600 0.036 0.000 0.985 9 E CA 1.060 57.477 56.400 0.028 0.000 0.814 9 E CB -0.251 29.461 29.700 0.020 0.000 0.752 9 E HN 0.255 nan 8.360 nan 0.000 0.466 10 E N 0.803 121.030 120.200 0.046 0.000 2.077 10 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 10 E C 2.120 178.771 176.600 0.086 0.000 0.989 10 E CA 1.313 57.748 56.400 0.059 0.000 0.800 10 E CB -0.066 29.669 29.700 0.058 0.000 0.746 10 E HN 0.372 nan 8.360 nan 0.000 0.452 11 I N 0.278 120.905 120.570 0.095 0.000 2.226 11 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 11 I C 2.515 178.659 176.117 0.046 0.000 1.100 11 I CA 1.002 62.348 61.300 0.077 0.000 1.374 11 I CB -0.176 37.855 38.000 0.050 0.000 1.057 11 I HN 0.018 nan 8.210 nan 0.000 0.413 12 R N 0.631 121.153 120.500 0.038 0.000 2.073 12 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 12 R C 2.309 178.624 176.300 0.025 0.000 1.134 12 R CA 1.768 57.884 56.100 0.026 0.000 0.952 12 R CB -0.283 30.031 30.300 0.022 0.000 0.850 12 R HN 0.353 nan 8.270 nan 0.000 0.433 13 E N 0.221 120.437 120.200 0.027 0.000 2.051 13 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 13 E C 1.917 178.532 176.600 0.024 0.000 0.991 13 E CA 1.488 57.902 56.400 0.023 0.000 0.799 13 E CB 0.006 29.719 29.700 0.022 0.000 0.748 13 E HN 0.284 nan 8.360 nan 0.000 0.449 14 M N 0.298 119.920 119.600 0.036 0.000 2.108 14 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 14 M C 2.385 178.697 176.300 0.020 0.000 1.066 14 M CA 1.248 56.569 55.300 0.036 0.000 1.107 14 M CB -0.195 32.444 32.600 0.065 0.000 1.356 14 M HN 0.211 nan 8.290 nan 0.000 0.406 15 L N -0.550 120.685 121.223 0.019 0.000 2.046 15 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 15 L C 2.644 179.517 176.870 0.005 0.000 1.077 15 L CA 1.410 56.255 54.840 0.009 0.000 0.747 15 L CB -0.544 41.523 42.059 0.012 0.000 0.896 15 L HN 0.264 nan 8.230 nan 0.000 0.432 16 R N -0.611 119.894 120.500 0.008 0.000 2.120 16 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 16 R C 2.325 178.626 176.300 0.002 0.000 1.123 16 R CA 0.824 56.928 56.100 0.005 0.000 0.975 16 R CB -0.176 30.128 30.300 0.007 0.000 0.866 16 R HN 0.274 nan 8.270 nan 0.000 0.446 17 R N 0.407 120.909 120.500 0.003 0.000 2.189 17 R HA -0.041 4.299 4.340 -0.000 0.000 0.218 17 R C 1.974 178.270 176.300 -0.006 0.000 1.074 17 R CA 1.045 57.145 56.100 0.000 0.000 0.991 17 R CB -0.154 30.149 30.300 0.005 0.000 0.883 17 R HN 0.260 nan 8.270 nan 0.000 0.457 18 V N -3.455 116.454 119.914 -0.009 0.000 3.621 18 V HA 0.420 4.540 4.120 -0.000 0.000 0.285 18 V C 0.932 177.011 176.094 -0.024 0.000 1.346 18 V CA 0.356 62.644 62.300 -0.019 0.000 1.104 18 V CB -0.043 31.765 31.823 -0.025 0.000 0.913 18 V HN 0.298 nan 8.190 nan 0.000 0.432 19 G N 0.307 109.098 108.800 -0.016 0.000 2.246 19 G HA2 0.010 3.970 3.960 -0.000 0.000 0.273 19 G HA3 0.010 3.970 3.960 -0.000 0.000 0.273 19 G C 0.176 175.067 174.900 -0.015 0.000 1.055 19 G CA 0.421 45.512 45.100 -0.015 0.000 0.851 19 G HN 1.731 nan 8.290 nan 0.000 0.500 20 A N -0.959 121.855 122.820 -0.011 0.000 2.337 20 A HA 0.974 5.294 4.320 -0.000 0.000 0.329 20 A C 1.120 178.708 177.584 0.006 0.000 1.146 20 A CA 0.421 52.455 52.037 -0.005 0.000 0.800 20 A CB 1.427 20.420 19.000 -0.011 0.000 1.220 20 A HN 1.629 nan 8.150 nan 0.000 0.472 21 A N 1.442 124.270 122.820 0.014 0.000 1.929 21 A HA 0.368 4.688 4.320 -0.000 0.000 0.216 21 A C 1.309 178.906 177.584 0.022 0.000 1.176 21 A CA 1.893 53.941 52.037 0.017 0.000 0.628 21 A CB -0.453 18.558 19.000 0.020 0.000 0.816 21 A HN 1.928 nan 8.150 nan 0.000 0.444 22 S N -3.527 112.192 115.700 0.032 0.000 2.790 22 S HA 0.532 5.002 4.470 -0.000 0.000 0.292 22 S C 0.226 174.860 174.600 0.057 0.000 1.197 22 S CA -0.372 57.851 58.200 0.038 0.000 0.851 22 S CB 0.134 63.358 63.200 0.039 0.000 1.217 22 S HN -0.021 nan 8.310 nan 0.000 0.526 23 L N 1.923 123.187 121.223 0.068 0.000 2.072 23 L HA 0.128 4.468 4.340 -0.000 0.000 0.205 23 L C 2.758 179.757 176.870 0.215 0.000 1.079 23 L CA 2.421 57.330 54.840 0.115 0.000 0.752 23 L CB -1.388 40.723 42.059 0.087 0.000 0.906 23 L HN 0.987 nan 8.230 nan 0.000 0.436 24 E N -1.067 119.224 120.200 0.152 0.000 2.153 24 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 24 E C 1.555 178.292 176.600 0.228 0.000 0.988 24 E CA 1.392 57.897 56.400 0.174 0.000 0.811 24 E CB -0.475 29.264 29.700 0.064 0.000 0.746 24 E HN 0.428 nan 8.360 nan 0.000 0.466 25 D N 0.832 121.320 120.400 0.147 0.000 2.264 25 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 25 D C 1.809 178.177 176.300 0.113 0.000 0.966 25 D CA 0.665 54.732 54.000 0.113 0.000 0.864 25 D CB -0.040 40.798 40.800 0.064 0.000 0.933 25 D HN 0.269 nan 8.370 nan 0.000 0.499 26 L N -0.858 120.428 121.223 0.105 0.000 2.265 26 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 26 L C 0.851 177.603 176.870 -0.197 0.000 1.117 26 L CA 0.529 55.314 54.840 -0.092 0.000 0.782 26 L CB -0.229 41.686 42.059 -0.240 0.000 0.914 26 L HN 0.067 nan 8.230 nan 0.000 0.441 27 F N -1.230 118.766 119.950 0.077 0.000 2.708 27 F HA 0.319 4.846 4.527 -0.000 0.000 0.300 27 F C 1.874 177.669 175.800 -0.009 0.000 1.118 27 F CA -0.019 57.986 58.000 0.007 0.000 1.307 27 F CB -0.540 38.434 39.000 -0.043 0.000 0.986 27 F HN -0.115 nan 8.300 nan 0.000 0.522 28 A N 0.447 123.399 122.820 0.220 0.000 1.940 28 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 28 A C 2.151 179.817 177.584 0.137 0.000 1.176 28 A CA 2.061 54.191 52.037 0.154 0.000 0.631 28 A CB -0.992 18.085 19.000 0.129 0.000 0.814 28 A HN 0.585 nan 8.150 nan 0.000 0.446 29 H N -1.427 117.661 119.070 0.030 0.000 2.555 29 H HA 0.218 4.774 4.556 -0.000 0.000 0.269 29 H C 0.056 175.403 175.328 0.032 0.000 0.988 29 H CA -0.057 56.002 56.048 0.018 0.000 1.178 29 H CB -0.755 29.004 29.762 -0.004 0.000 1.373 29 H HN 0.273 nan 8.280 nan 0.000 0.588 30 L N 3.531 124.562 121.223 -0.320 0.000 2.436 30 L HA 0.218 4.558 4.340 -0.000 0.000 0.265 30 L C -1.820 175.011 176.870 -0.064 0.000 1.168 30 L CA -1.924 52.794 54.840 -0.203 0.000 0.815 30 L CB 0.476 42.453 42.059 -0.137 0.000 1.109 30 L HN 0.079 nan 8.230 nan 0.000 0.462 31 P HA 0.037 nan 4.420 nan 0.000 0.266 31 P C -0.171 177.120 177.300 -0.015 0.000 1.215 31 P CA -0.344 62.747 63.100 -0.016 0.000 0.763 31 P CB 0.733 32.425 31.700 -0.012 0.000 0.806 32 K N 2.881 123.278 120.400 -0.006 0.000 2.144 32 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 32 K C 1.830 178.423 176.600 -0.013 0.000 1.047 32 K CA 1.853 58.136 56.287 -0.006 0.000 0.927 32 K CB -0.438 32.061 32.500 -0.001 0.000 0.716 32 K HN 0.618 nan 8.250 nan 0.000 0.454 33 E N 0.548 120.741 120.200 -0.012 0.000 2.418 33 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 33 E C 1.676 178.264 176.600 -0.020 0.000 1.026 33 E CA 1.233 57.624 56.400 -0.015 0.000 0.862 33 E CB -0.290 29.403 29.700 -0.011 0.000 0.799 33 E HN 0.634 nan 8.360 nan 0.000 0.518 34 I N -1.957 118.599 120.570 -0.023 0.000 3.708 34 I HA 0.187 4.357 4.170 -0.000 0.000 0.302 34 I C 0.950 177.042 176.117 -0.042 0.000 1.255 34 I CA -0.489 60.793 61.300 -0.029 0.000 1.362 34 I CB 0.043 38.027 38.000 -0.026 0.000 1.100 34 I HN -0.159 nan 8.210 nan 0.000 0.434 35 L N 3.009 124.206 121.223 -0.043 0.000 2.578 35 L HA -0.009 4.331 4.340 -0.000 0.000 0.279 35 L C 0.588 177.413 176.870 -0.076 0.000 1.227 35 L CA 0.494 55.296 54.840 -0.064 0.000 0.900 35 L CB 0.282 42.314 42.059 -0.046 0.000 1.144 35 L HN 0.394 nan 8.230 nan 0.000 0.496 36 S N 2.298 117.929 115.700 -0.115 0.000 3.356 36 S HA -0.117 4.353 4.470 -0.000 0.000 0.376 36 S C -1.768 172.787 174.600 -0.076 0.000 0.924 36 S CA -0.313 57.820 58.200 -0.111 0.000 1.316 36 S CB -1.642 61.494 63.200 -0.107 0.000 0.922 36 S HN 0.557 nan 8.310 nan 0.000 0.553 37 P HA 0.321 nan 4.420 nan 0.000 0.274 37 P C -2.496 174.776 177.300 -0.047 0.000 1.231 37 P CA -1.471 61.599 63.100 -0.050 0.000 0.790 37 P CB 0.045 31.718 31.700 -0.045 0.000 0.951 38 P HA 0.280 nan 4.420 nan 0.000 0.252 38 P C -0.133 177.148 177.300 -0.032 0.000 1.727 38 P CA 0.004 63.083 63.100 -0.034 0.000 1.134 38 P CB -0.213 31.470 31.700 -0.028 0.000 1.876 39 I N 2.168 122.716 120.570 -0.036 0.000 2.416 39 I HA 0.095 4.265 4.170 -0.000 0.000 0.288 39 I C 0.760 176.860 176.117 -0.029 0.000 1.051 39 I CA -0.143 61.138 61.300 -0.032 0.000 1.375 39 I CB 0.479 38.457 38.000 -0.036 0.000 1.407 39 I HN 0.155 nan 8.210 nan 0.000 0.516 40 D N 7.564 127.949 120.400 -0.025 0.000 2.359 40 D HA 0.486 5.126 4.640 -0.000 0.000 0.230 40 D C -1.144 175.143 176.300 -0.022 0.000 1.118 40 D CA -0.133 53.853 54.000 -0.023 0.000 0.844 40 D CB 0.675 41.463 40.800 -0.020 0.000 1.059 40 D HN 0.094 nan 8.370 nan 0.000 0.493 41 L N 4.777 125.985 121.223 -0.024 0.000 2.409 41 L HA 0.539 4.879 4.340 -0.000 0.000 0.262 41 L C -1.950 174.904 176.870 -0.027 0.000 0.992 41 L CA -1.885 52.940 54.840 -0.024 0.000 0.817 41 L CB 1.614 43.658 42.059 -0.025 0.000 1.350 41 L HN 0.392 nan 8.230 nan 0.000 0.411 42 P HA 0.123 nan 4.420 nan 0.000 0.269 42 P C -0.503 176.775 177.300 -0.038 0.000 1.217 42 P CA -0.430 62.651 63.100 -0.032 0.000 0.783 42 P CB 0.657 32.336 31.700 -0.035 0.000 0.898 43 E N 1.878 122.054 120.200 -0.041 0.000 2.415 43 E HA 0.102 4.452 4.350 -0.000 0.000 0.262 43 E C -1.645 174.921 176.600 -0.058 0.000 1.038 43 E CA -1.072 55.301 56.400 -0.045 0.000 0.921 43 E CB -0.448 29.227 29.700 -0.043 0.000 0.950 43 E HN 0.423 nan 8.360 nan 0.000 0.438 44 P HA 0.082 nan 4.420 nan 0.000 0.267 44 P C -0.460 176.777 177.300 -0.105 0.000 1.200 44 P CA 0.316 63.371 63.100 -0.075 0.000 0.772 44 P CB 0.592 32.250 31.700 -0.069 0.000 0.855 45 L N 3.337 124.478 121.223 -0.137 0.000 2.381 45 L HA 0.470 4.810 4.340 -0.000 0.000 0.268 45 L C -2.162 174.551 176.870 -0.260 0.000 0.997 45 L CA -2.454 52.257 54.840 -0.216 0.000 0.818 45 L CB 2.440 44.357 42.059 -0.237 0.000 1.310 45 L HN 0.261 nan 8.230 nan 0.000 0.416 46 P HA 0.048 nan 4.420 nan 0.000 0.272 46 P C 0.169 177.227 177.300 -0.403 0.000 1.223 46 P CA -0.377 62.514 63.100 -0.347 0.000 0.784 46 P CB 0.694 32.191 31.700 -0.338 0.000 0.923 47 E N 2.705 122.801 120.200 -0.172 0.000 2.114 47 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 47 E C 1.706 178.270 176.600 -0.060 0.000 1.008 47 E CA 1.460 57.820 56.400 -0.067 0.000 0.810 47 E CB -0.961 28.772 29.700 0.055 0.000 0.739 47 E HN 0.644 nan 8.360 nan 0.000 0.456 48 W N 1.810 123.115 121.300 0.009 0.000 2.363 48 W HA -0.023 4.637 4.660 -0.000 0.000 0.296 48 W C 1.786 178.308 176.519 0.005 0.000 1.212 48 W CA 0.988 58.338 57.345 0.008 0.000 1.260 48 W CB -0.700 28.763 29.460 0.004 0.000 1.131 48 W HN 0.019 nan 8.180 nan 0.000 0.530 49 K N 1.551 121.346 120.400 -1.008 0.000 2.097 49 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 49 K C 2.013 178.417 176.600 -0.327 0.000 1.049 49 K CA 1.985 57.751 56.287 -0.868 0.000 0.933 49 K CB -0.759 31.033 32.500 -1.180 0.000 0.717 49 K HN 0.079 nan 8.250 nan 0.000 0.442 50 V N 0.817 120.571 119.914 -0.268 0.000 2.343 50 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 50 V C 2.279 178.342 176.094 -0.052 0.000 1.051 50 V CA 1.633 63.856 62.300 -0.129 0.000 1.036 50 V CB -0.357 31.409 31.823 -0.094 0.000 0.654 50 V HN 0.287 nan 8.190 nan 0.000 0.451 51 L N -0.248 120.968 121.223 -0.012 0.000 2.083 51 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 51 L C 2.596 179.491 176.870 0.041 0.000 1.083 51 L CA 1.872 56.732 54.840 0.034 0.000 0.752 51 L CB -0.450 41.656 42.059 0.078 0.000 0.899 51 L HN 0.448 nan 8.230 nan 0.000 0.433 52 E N 0.066 120.301 120.200 0.058 0.000 2.110 52 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 52 E C 2.000 178.616 176.600 0.027 0.000 0.988 52 E CA 1.417 57.860 56.400 0.073 0.000 0.804 52 E CB 0.171 29.948 29.700 0.129 0.000 0.745 52 E HN 0.307 nan 8.360 nan 0.000 0.458 53 E N 0.124 120.320 120.200 -0.007 0.000 2.107 53 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 53 E C 1.909 178.501 176.600 -0.012 0.000 0.982 53 E CA 0.652 57.042 56.400 -0.017 0.000 0.809 53 E CB -0.198 29.478 29.700 -0.040 0.000 0.756 53 E HN 0.203 nan 8.360 nan 0.000 0.459 54 L N 0.898 122.115 121.223 -0.010 0.000 2.046 54 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 54 L C 2.349 179.216 176.870 -0.005 0.000 1.077 54 L CA 1.698 56.533 54.840 -0.009 0.000 0.747 54 L CB -1.072 40.985 42.059 -0.003 0.000 0.896 54 L HN 0.214 nan 8.230 nan 0.000 0.432 55 R N -0.973 119.531 120.500 0.006 0.000 2.096 55 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 55 R C 2.296 178.599 176.300 0.004 0.000 1.127 55 R CA 0.997 57.102 56.100 0.009 0.000 0.968 55 R CB -0.283 30.031 30.300 0.023 0.000 0.861 55 R HN 0.308 nan 8.270 nan 0.000 0.440 56 R N 1.119 121.622 120.500 0.005 0.000 2.073 56 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 56 R C 2.288 178.582 176.300 -0.009 0.000 1.134 56 R CA 1.261 57.362 56.100 0.001 0.000 0.952 56 R CB -0.229 30.073 30.300 0.003 0.000 0.850 56 R HN 0.184 nan 8.270 nan 0.000 0.433 57 L N 0.017 121.231 121.223 -0.016 0.000 2.046 57 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 57 L C 2.650 179.498 176.870 -0.036 0.000 1.077 57 L CA 1.319 56.142 54.840 -0.028 0.000 0.747 57 L CB -0.514 41.525 42.059 -0.034 0.000 0.896 57 L HN 0.315 nan 8.230 nan 0.000 0.432 58 A N -0.130 122.673 122.820 -0.030 0.000 2.015 58 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 58 A C 2.421 179.992 177.584 -0.022 0.000 1.163 58 A CA 1.376 53.394 52.037 -0.032 0.000 0.646 58 A CB -0.512 18.474 19.000 -0.022 0.000 0.806 58 A HN 0.393 nan 8.150 nan 0.000 0.448 59 A N -0.775 122.037 122.820 -0.013 0.000 2.168 59 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 59 A C 1.959 179.538 177.584 -0.007 0.000 1.152 59 A CA 1.216 53.249 52.037 -0.006 0.000 0.716 59 A CB -0.368 18.632 19.000 -0.001 0.000 0.794 59 A HN 0.669 nan 8.150 nan 0.000 0.465 60 Q N 0.145 119.935 119.800 -0.015 0.000 2.245 60 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 60 Q C -0.102 175.889 176.000 -0.014 0.000 0.955 60 Q CA 0.226 56.020 55.803 -0.015 0.000 0.870 60 Q CB 0.001 28.724 28.738 -0.024 0.000 0.945 60 Q HN 0.625 nan 8.270 nan 0.000 0.461 61 N N 0.948 119.635 118.700 -0.022 0.000 2.493 61 N HA 0.180 4.920 4.740 -0.000 0.000 0.275 61 N C -0.869 174.659 175.510 0.029 0.000 1.186 61 N CA -0.327 52.716 53.050 -0.011 0.000 0.978 61 N CB 1.110 39.566 38.487 -0.052 0.000 1.184 61 N HN -0.010 nan 8.380 nan 0.000 0.487 62 L N 3.113 124.385 121.223 0.082 0.000 2.264 62 L HA 0.378 4.718 4.340 -0.000 0.000 0.287 62 L C -2.131 174.871 176.870 0.220 0.000 1.039 62 L CA -1.824 53.096 54.840 0.132 0.000 0.829 62 L CB 0.418 42.555 42.059 0.130 0.000 1.211 62 L HN 0.393 nan 8.230 nan 0.000 0.427 63 P HA -0.012 nan 4.420 nan 0.000 0.263 63 P C -0.235 177.175 177.300 0.183 0.000 1.175 63 P CA 0.005 63.175 63.100 0.117 0.000 0.761 63 P CB 0.840 32.588 31.700 0.080 0.000 0.794 64 A N 2.072 124.919 122.820 0.044 0.000 2.337 64 A HA 0.027 4.347 4.320 -0.000 0.000 0.227 64 A C 0.839 178.441 177.584 0.029 0.000 1.259 64 A CA 0.000 51.996 52.037 -0.068 0.000 0.870 64 A CB -1.142 17.687 19.000 -0.285 0.000 0.927 64 A HN 0.712 nan 8.150 nan 0.000 0.497 65 H N 0.965 120.035 119.070 -0.001 0.000 3.038 65 H HA 0.104 4.660 4.556 -0.000 0.000 0.338 65 H C 0.733 176.031 175.328 -0.049 0.000 1.041 65 H CA 1.437 57.466 56.048 -0.031 0.000 1.394 65 H CB 0.154 29.906 29.762 -0.017 0.000 1.357 65 H HN 0.380 nan 8.280 nan 0.000 0.600 66 K N 0.759 120.699 120.400 -0.766 0.000 3.130 66 K HA -0.244 4.076 4.320 -0.000 0.000 0.282 66 K C 0.037 176.456 176.600 -0.302 0.000 1.145 66 K CA 0.389 56.302 56.287 -0.623 0.000 0.831 66 K CB -1.418 30.814 32.500 -0.445 0.000 1.226 66 K HN 0.711 nan 8.250 nan 0.000 0.478 67 A N -0.091 122.617 122.820 -0.186 0.000 2.429 67 A HA 0.347 4.667 4.320 -0.000 0.000 0.242 67 A C 0.528 178.051 177.584 -0.102 0.000 1.088 67 A CA 0.358 52.384 52.037 -0.019 0.000 0.784 67 A CB 0.029 19.017 19.000 -0.020 0.000 1.038 67 A HN 0.274 nan 8.150 nan 0.000 0.501 68 F N -0.282 119.776 119.950 0.179 0.000 2.661 68 F HA 0.272 4.799 4.527 -0.000 0.000 0.306 68 F C 0.311 176.119 175.800 0.012 0.000 1.094 68 F CA -0.061 58.005 58.000 0.110 0.000 1.254 68 F CB -0.016 39.056 39.000 0.120 0.000 1.040 68 F HN 0.266 nan 8.300 nan 0.000 0.562 69 L N -0.291 121.002 121.223 0.116 0.000 2.439 69 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 69 L C 1.012 177.859 176.870 -0.038 0.000 1.179 69 L CA 0.022 54.860 54.840 -0.004 0.000 0.828 69 L CB 0.359 42.414 42.059 -0.006 0.000 1.106 69 L HN 0.210 nan 8.230 nan 0.000 0.467 70 G N -0.638 108.106 108.800 -0.093 0.000 3.214 70 G HA2 0.518 4.478 3.960 -0.000 0.000 0.188 70 G HA3 0.518 4.478 3.960 -0.000 0.000 0.188 70 G C 0.202 175.070 174.900 -0.054 0.000 1.126 70 G CA -0.258 44.793 45.100 -0.082 0.000 0.796 70 G HN 0.947 nan 8.290 nan 0.000 0.631 71 G N -1.324 107.418 108.800 -0.097 0.000 2.326 71 G HA2 0.336 4.296 3.960 -0.000 0.000 0.286 71 G HA3 0.336 4.296 3.960 -0.000 0.000 0.286 71 G C 1.396 176.499 174.900 0.337 0.000 1.096 71 G CA 1.147 46.264 45.100 0.028 0.000 1.003 71 G HN 2.508 nan 8.290 nan 0.000 0.503 72 G N -2.982 105.960 108.800 0.237 0.000 2.349 72 G HA2 0.033 3.993 3.960 -0.000 0.000 0.213 72 G HA3 0.033 3.993 3.960 -0.000 0.000 0.213 72 G C 0.310 175.321 174.900 0.184 0.000 1.044 72 G CA 0.359 45.592 45.100 0.222 0.000 0.633 72 G HN 1.705 nan 8.290 nan 0.000 0.506 73 V N 1.726 121.730 119.914 0.150 0.000 2.604 73 V HA 0.849 4.969 4.120 -0.000 0.000 0.305 73 V C 0.075 176.210 176.094 0.068 0.000 1.043 73 V CA -0.766 61.604 62.300 0.117 0.000 0.888 73 V CB 1.750 33.627 31.823 0.090 0.000 0.995 73 V HN 0.476 nan 8.190 nan 0.000 0.429 74 R N 1.585 122.125 120.500 0.067 0.000 2.698 74 R HA 0.466 4.806 4.340 -0.000 0.000 0.275 74 R C -0.695 175.548 176.300 -0.095 0.000 1.001 74 R CA -0.689 55.392 56.100 -0.031 0.000 0.896 74 R CB 2.121 32.382 30.300 -0.065 0.000 1.218 74 R HN 0.629 nan 8.270 nan 0.000 0.462 75 S N 2.285 117.862 115.700 -0.206 0.000 3.072 75 S HA 0.129 4.599 4.470 -0.000 0.000 0.306 75 S C -0.280 174.133 174.600 -0.310 0.000 1.207 75 S CA -0.340 57.734 58.200 -0.210 0.000 1.008 75 S CB -0.362 62.688 63.200 -0.250 0.000 1.390 75 S HN 0.380 nan 8.310 nan 0.000 0.523 76 H N 2.087 121.118 119.070 -0.064 0.000 2.559 76 H HA 0.204 4.760 4.556 -0.000 0.000 0.343 76 H C -0.052 175.300 175.328 0.039 0.000 1.209 76 H CA -0.524 55.512 56.048 -0.021 0.000 1.287 76 H CB 0.748 30.502 29.762 -0.013 0.000 1.650 76 H HN 0.679 nan 8.280 nan 0.000 0.567 77 H N 0.739 119.907 119.070 0.163 0.000 2.899 77 H HA 0.126 4.682 4.556 -0.000 0.000 0.303 77 H C -0.861 174.557 175.328 0.151 0.000 1.042 77 H CA -0.152 55.982 56.048 0.143 0.000 1.479 77 H CB -0.050 29.796 29.762 0.141 0.000 1.493 77 H HN 0.103 nan 8.280 nan 0.000 0.534 78 V N 9.836 129.527 119.914 -0.372 0.000 2.339 78 V HA 0.204 4.324 4.120 -0.000 0.000 0.261 78 V C -1.904 173.838 176.094 -0.586 0.000 1.058 78 V CA -1.552 60.555 62.300 -0.323 0.000 0.897 78 V CB 0.644 32.385 31.823 -0.136 0.000 1.052 78 V HN 0.843 nan 8.190 nan 0.000 0.480 79 P HA 0.185 nan 4.420 nan 0.000 0.276 79 P C -2.053 175.217 177.300 -0.050 0.000 1.253 79 P CA -1.524 61.449 63.100 -0.212 0.000 0.766 79 P CB 1.108 32.838 31.700 0.050 0.000 0.845 80 P HA -0.158 nan 4.420 nan 0.000 0.218 80 P C 1.546 178.865 177.300 0.031 0.000 1.148 80 P CA 0.774 63.887 63.100 0.022 0.000 0.822 80 P CB 0.039 31.767 31.700 0.046 0.000 0.784 81 V N -0.069 119.872 119.914 0.044 0.000 2.490 81 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 81 V C 2.439 178.555 176.094 0.036 0.000 1.061 81 V CA 1.598 63.922 62.300 0.041 0.000 1.064 81 V CB -0.769 31.080 31.823 0.042 0.000 0.670 81 V HN -0.097 nan 8.190 nan 0.000 0.461 82 V N -0.204 119.732 119.914 0.037 0.000 2.323 82 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 82 V C 2.626 178.729 176.094 0.016 0.000 1.041 82 V CA 1.945 64.265 62.300 0.033 0.000 1.025 82 V CB -0.648 31.217 31.823 0.070 0.000 0.656 82 V HN 0.500 nan 8.190 nan 0.000 0.451 83 Q N -0.054 119.753 119.800 0.012 0.000 2.124 83 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 83 Q C 2.386 178.399 176.000 0.021 0.000 0.977 83 Q CA 1.806 57.613 55.803 0.006 0.000 0.850 83 Q CB -0.653 28.083 28.738 -0.003 0.000 0.901 83 Q HN 0.646 nan 8.270 nan 0.000 0.429 84 A N 0.552 123.389 122.820 0.028 0.000 1.930 84 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 84 A C 2.230 179.849 177.584 0.058 0.000 1.175 84 A CA 0.913 52.974 52.037 0.039 0.000 0.627 84 A CB -0.574 18.448 19.000 0.037 0.000 0.815 84 A HN 0.303 nan 8.150 nan 0.000 0.443 85 L N -0.892 120.368 121.223 0.061 0.000 2.072 85 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 85 L C 2.925 179.878 176.870 0.137 0.000 1.079 85 L CA 0.996 55.897 54.840 0.102 0.000 0.752 85 L CB -0.455 41.646 42.059 0.070 0.000 0.906 85 L HN 0.402 nan 8.230 nan 0.000 0.436 86 A N -0.227 122.621 122.820 0.047 0.000 2.168 86 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 86 A C 2.280 179.920 177.584 0.093 0.000 1.152 86 A CA 1.233 53.283 52.037 0.021 0.000 0.716 86 A CB -0.440 18.532 19.000 -0.047 0.000 0.794 86 A HN 0.384 nan 8.150 nan 0.000 0.465 87 A N -0.534 122.340 122.820 0.090 0.000 2.178 87 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 87 A C 1.060 178.696 177.584 0.087 0.000 1.157 87 A CA -0.339 51.742 52.037 0.073 0.000 0.780 87 A CB -0.094 18.934 19.000 0.047 0.000 0.828 87 A HN 0.319 nan 8.150 nan 0.000 0.476 88 R N 0.435 121.015 120.500 0.133 0.000 2.486 88 R HA 0.000 4.340 4.340 -0.000 0.000 0.303 88 R C 1.481 177.806 176.300 0.042 0.000 0.958 88 R CA 0.540 56.687 56.100 0.077 0.000 1.077 88 R CB -0.193 30.156 30.300 0.081 0.000 0.921 88 R HN 0.335 nan 8.270 nan 0.000 0.406 89 G N 3.359 112.158 108.800 -0.001 0.000 2.507 89 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.221 89 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.221 89 G C 1.027 175.906 174.900 -0.034 0.000 1.119 89 G CA 0.734 45.829 45.100 -0.009 0.000 0.751 89 G HN 0.570 nan 8.290 nan 0.000 0.574 90 E N -0.096 120.031 120.200 -0.120 0.000 2.106 90 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 90 E C 2.056 178.574 176.600 -0.137 0.000 0.984 90 E CA 0.813 57.102 56.400 -0.185 0.000 0.806 90 E CB -0.266 29.233 29.700 -0.336 0.000 0.750 90 E HN 0.497 nan 8.360 nan 0.000 0.458 91 F N -0.165 119.776 119.950 -0.016 0.000 2.149 91 F HA 0.026 4.553 4.527 -0.000 0.000 0.294 91 F C 2.011 177.794 175.800 -0.027 0.000 1.095 91 F CA 0.301 58.284 58.000 -0.028 0.000 1.276 91 F CB -0.727 38.253 39.000 -0.034 0.000 1.023 91 F HN 0.035 nan 8.300 nan 0.000 0.480 92 L N 0.087 121.419 121.223 0.182 0.000 2.131 92 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 92 L C 2.056 178.962 176.870 0.061 0.000 1.092 92 L CA 2.306 57.203 54.840 0.094 0.000 0.759 92 L CB -0.971 41.128 42.059 0.068 0.000 0.903 92 L HN 0.320 nan 8.230 nan 0.000 0.435 93 T N -3.640 110.944 114.554 0.049 0.000 3.132 93 T HA 0.587 4.937 4.350 -0.000 0.000 0.274 93 T C 0.629 175.362 174.700 0.055 0.000 1.011 93 T CA 0.027 62.150 62.100 0.039 0.000 0.899 93 T CB -0.246 68.631 68.868 0.014 0.000 1.089 93 T HN 0.290 nan 8.240 nan 0.000 0.543 94 A N 1.010 123.869 122.820 0.064 0.000 2.296 94 A HA 0.655 4.975 4.320 -0.000 0.000 0.264 94 A C -0.507 177.156 177.584 0.133 0.000 1.097 94 A CA -0.601 51.481 52.037 0.075 0.000 0.811 94 A CB 0.306 19.337 19.000 0.050 0.000 1.072 94 A HN 0.535 nan 8.150 nan 0.000 0.495 95 Y N -0.586 119.700 120.300 -0.023 0.000 2.650 95 Y HA 0.472 5.022 4.550 -0.000 0.000 0.331 95 Y C 0.700 176.535 175.900 -0.108 0.000 1.082 95 Y CA -0.731 57.343 58.100 -0.044 0.000 1.171 95 Y CB 0.853 39.301 38.460 -0.020 0.000 1.326 95 Y HN 0.691 nan 8.280 nan 0.000 0.513 96 T N 6.057 119.784 114.554 -1.378 0.000 2.849 96 T HA 0.047 4.397 4.350 -0.000 0.000 0.289 96 T C -2.401 171.822 174.700 -0.794 0.000 1.010 96 T CA -0.342 61.082 62.100 -1.128 0.000 1.161 96 T CB -0.112 67.805 68.868 -1.586 0.000 0.989 96 T HN 0.357 nan 8.240 nan 0.000 0.523 97 P HA 0.054 nan 4.420 nan 0.000 0.235 97 P C 0.002 177.218 177.300 -0.139 0.000 1.720 97 P CA -0.070 62.900 63.100 -0.216 0.000 1.003 97 P CB -0.185 31.452 31.700 -0.105 0.000 1.968 98 Y N -0.203 120.099 120.300 0.004 0.000 2.373 98 Y HA -0.036 4.514 4.550 -0.000 0.000 0.293 98 Y C 1.643 177.567 175.900 0.040 0.000 1.129 98 Y CA 0.852 58.971 58.100 0.030 0.000 1.226 98 Y CB -0.268 38.228 38.460 0.061 0.000 1.000 98 Y HN 0.206 nan 8.280 nan 0.000 0.549 99 Q N 1.651 121.558 119.800 0.177 0.000 2.509 99 Q HA 0.178 4.518 4.340 -0.000 0.000 0.236 99 Q C -1.781 174.266 176.000 0.079 0.000 1.073 99 Q CA -2.004 53.869 55.803 0.117 0.000 0.867 99 Q CB 0.914 29.714 28.738 0.102 0.000 1.181 99 Q HN 0.226 nan 8.270 nan 0.000 0.526 100 P HA -0.172 nan 4.420 nan 0.000 0.218 100 P C 0.300 177.630 177.300 0.049 0.000 1.148 100 P CA 1.090 64.227 63.100 0.061 0.000 0.822 100 P CB 0.637 32.375 31.700 0.062 0.000 0.784 101 E N 0.167 120.391 120.200 0.040 0.000 2.209 101 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 101 E C 1.744 178.361 176.600 0.027 0.000 0.993 101 E CA 1.407 57.823 56.400 0.028 0.000 0.819 101 E CB -0.706 29.007 29.700 0.022 0.000 0.745 101 E HN 0.324 nan 8.360 nan 0.000 0.477 102 V N -3.798 116.135 119.914 0.032 0.000 3.380 102 V HA 0.313 4.433 4.120 -0.000 0.000 0.307 102 V C 0.708 176.816 176.094 0.023 0.000 1.434 102 V CA -0.119 62.195 62.300 0.023 0.000 1.075 102 V CB 0.770 32.607 31.823 0.022 0.000 0.954 102 V HN -0.012 nan 8.190 nan 0.000 0.444 103 S N 0.936 116.656 115.700 0.035 0.000 2.711 103 S HA 0.280 4.750 4.470 -0.000 0.000 0.247 103 S C 1.165 175.800 174.600 0.059 0.000 1.079 103 S CA -0.365 57.855 58.200 0.035 0.000 1.050 103 S CB 0.404 63.619 63.200 0.024 0.000 0.885 103 S HN 0.466 nan 8.310 nan 0.000 0.498 104 Q N 0.943 120.784 119.800 0.069 0.000 2.364 104 Q HA 0.024 4.364 4.340 -0.000 0.000 0.207 104 Q C 2.026 178.091 176.000 0.109 0.000 0.970 104 Q CA 0.992 56.863 55.803 0.113 0.000 0.888 104 Q CB -0.484 28.323 28.738 0.114 0.000 0.951 104 Q HN 0.644 nan 8.270 nan 0.000 0.469 105 G N 0.216 109.065 108.800 0.083 0.000 2.434 105 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.214 105 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.214 105 G C 1.588 176.621 174.900 0.222 0.000 1.202 105 G CA 0.801 45.978 45.100 0.129 0.000 0.788 105 G HN 0.258 nan 8.290 nan 0.000 0.539 106 V N 0.855 120.879 119.914 0.183 0.000 2.261 106 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 106 V C 2.865 178.986 176.094 0.046 0.000 1.047 106 V CA 1.120 63.502 62.300 0.137 0.000 1.015 106 V CB -0.504 31.363 31.823 0.073 0.000 0.642 106 V HN 0.180 nan 8.190 nan 0.000 0.446 107 L N -0.144 121.109 121.223 0.052 0.000 2.012 107 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 107 L C 2.519 179.362 176.870 -0.045 0.000 1.073 107 L CA 2.044 56.917 54.840 0.055 0.000 0.748 107 L CB -1.393 40.749 42.059 0.139 0.000 0.891 107 L HN 0.463 nan 8.230 nan 0.000 0.431 108 Q N -1.206 118.527 119.800 -0.112 0.000 2.079 108 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 108 Q C 2.166 178.031 176.000 -0.225 0.000 0.974 108 Q CA 1.610 57.140 55.803 -0.455 0.000 0.840 108 Q CB 0.048 28.645 28.738 -0.236 0.000 0.898 108 Q HN 0.498 nan 8.270 nan 0.000 0.430 109 A N -0.031 122.744 122.820 -0.076 0.000 1.933 109 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 109 A C 2.185 179.736 177.584 -0.055 0.000 1.175 109 A CA 1.933 53.929 52.037 -0.069 0.000 0.628 109 A CB -0.903 18.036 19.000 -0.103 0.000 0.814 109 A HN 0.468 nan 8.150 nan 0.000 0.444 110 T N -0.909 113.619 114.554 -0.043 0.000 2.777 110 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 110 T C 1.607 176.355 174.700 0.079 0.000 1.040 110 T CA 1.480 63.587 62.100 0.011 0.000 1.141 110 T CB -0.387 68.477 68.868 -0.007 0.000 0.868 110 T HN 0.491 nan 8.240 nan 0.000 0.444 111 F N 2.166 122.022 119.950 -0.157 0.000 2.134 111 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 111 F C 2.209 177.920 175.800 -0.149 0.000 1.097 111 F CA 1.348 59.239 58.000 -0.183 0.000 1.264 111 F CB -0.237 38.474 39.000 -0.480 0.000 1.001 111 F HN 0.195 nan 8.300 nan 0.000 0.479 112 E N -1.127 119.011 120.200 -0.103 0.000 2.106 112 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 112 E C 1.968 178.474 176.600 -0.156 0.000 0.984 112 E CA 1.346 57.659 56.400 -0.145 0.000 0.806 112 E CB -0.608 29.060 29.700 -0.053 0.000 0.750 112 E HN 0.635 nan 8.360 nan 0.000 0.458 113 Y N 2.216 122.400 120.300 -0.193 0.000 2.097 113 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 113 Y C 2.176 177.968 175.900 -0.180 0.000 1.152 113 Y CA 1.946 59.939 58.100 -0.178 0.000 1.136 113 Y CB -0.285 38.063 38.460 -0.186 0.000 0.975 113 Y HN -0.043 nan 8.280 nan 0.000 0.498 114 Q N -0.623 118.984 119.800 -0.322 0.000 2.077 114 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 114 Q C 2.397 178.140 176.000 -0.428 0.000 0.989 114 Q CA 2.777 58.345 55.803 -0.392 0.000 0.853 114 Q CB -0.550 28.060 28.738 -0.214 0.000 0.907 114 Q HN 0.676 nan 8.270 nan 0.000 0.418 115 T N -1.193 113.086 114.554 -0.458 0.000 2.915 115 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 115 T C 1.794 176.314 174.700 -0.301 0.000 1.071 115 T CA 1.052 62.925 62.100 -0.380 0.000 1.132 115 T CB -0.085 68.537 68.868 -0.410 0.000 0.878 115 T HN 0.150 nan 8.240 nan 0.000 0.479 116 M N 0.152 119.558 119.600 -0.323 0.000 2.156 116 M HA 0.076 4.556 4.480 -0.000 0.000 0.264 116 M C 2.158 178.262 176.300 -0.327 0.000 1.067 116 M CA 1.233 56.371 55.300 -0.271 0.000 1.131 116 M CB -0.254 32.212 32.600 -0.222 0.000 1.368 116 M HN 0.230 nan 8.290 nan 0.000 0.416 117 I N 0.440 120.726 120.570 -0.474 0.000 2.315 117 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 117 I C 2.683 178.580 176.117 -0.367 0.000 1.117 117 I CA 1.425 62.422 61.300 -0.506 0.000 1.404 117 I CB -1.577 36.075 38.000 -0.579 0.000 1.071 117 I HN 0.205 nan 8.210 nan 0.000 0.419 118 A N 0.408 123.062 122.820 -0.277 0.000 1.902 118 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 118 A C 2.206 179.699 177.584 -0.152 0.000 1.181 118 A CA 1.301 53.232 52.037 -0.177 0.000 0.623 118 A CB -0.393 18.514 19.000 -0.154 0.000 0.818 118 A HN 0.328 nan 8.150 nan 0.000 0.443 119 E N -0.528 119.573 120.200 -0.166 0.000 2.072 119 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 119 E C 1.939 178.464 176.600 -0.125 0.000 0.985 119 E CA 0.853 57.177 56.400 -0.127 0.000 0.801 119 E CB -0.420 29.207 29.700 -0.122 0.000 0.750 119 E HN 0.460 nan 8.360 nan 0.000 0.452 120 L N 0.560 121.679 121.223 -0.174 0.000 2.093 120 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 120 L C 2.085 178.864 176.870 -0.152 0.000 1.085 120 L CA 1.712 56.448 54.840 -0.173 0.000 0.755 120 L CB -0.574 41.332 42.059 -0.254 0.000 0.904 120 L HN 0.026 nan 8.230 nan 0.000 0.435 121 A N -1.492 121.224 122.820 -0.174 0.000 2.178 121 A HA 0.368 4.688 4.320 -0.000 0.000 0.211 121 A C 1.598 179.174 177.584 -0.013 0.000 1.157 121 A CA 0.623 52.617 52.037 -0.071 0.000 0.780 121 A CB -0.687 18.288 19.000 -0.041 0.000 0.828 121 A HN 0.627 nan 8.150 nan 0.000 0.476 122 G N -0.917 107.857 108.800 -0.042 0.000 2.225 122 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.264 122 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.264 122 G C -0.063 174.836 174.900 -0.001 0.000 1.060 122 G CA 0.654 45.740 45.100 -0.023 0.000 0.833 122 G HN 0.463 nan 8.290 nan 0.000 0.498 123 L N -1.737 119.479 121.223 -0.011 0.000 2.256 123 L HA 0.554 4.894 4.340 -0.000 0.000 0.261 123 L C 1.507 178.364 176.870 -0.021 0.000 1.022 123 L CA -1.102 53.742 54.840 0.007 0.000 0.828 123 L CB 1.036 43.119 42.059 0.039 0.000 1.374 123 L HN 0.171 nan 8.230 nan 0.000 0.436 124 E N 0.724 120.916 120.200 -0.014 0.000 2.122 124 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 124 E C -0.027 176.550 176.600 -0.039 0.000 0.977 124 E CA 0.840 57.222 56.400 -0.030 0.000 0.820 124 E CB 0.448 30.129 29.700 -0.032 0.000 0.770 124 E HN 0.480 nan 8.360 nan 0.000 0.462 125 I N -3.329 117.227 120.570 -0.023 0.000 3.191 125 I HA 0.779 4.949 4.170 -0.000 0.000 0.313 125 I C -1.567 174.540 176.117 -0.016 0.000 1.193 125 I CA -1.479 59.804 61.300 -0.028 0.000 0.968 125 I CB 2.433 40.432 38.000 -0.002 0.000 1.262 125 I HN -0.159 nan 8.210 nan 0.000 0.456 126 A N 2.074 124.879 122.820 -0.026 0.000 2.589 126 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 126 A C -1.103 176.503 177.584 0.037 0.000 1.062 126 A CA -0.728 51.312 52.037 0.004 0.000 0.686 126 A CB 1.447 20.410 19.000 -0.062 0.000 1.282 126 A HN 0.964 nan 8.150 nan 0.000 0.404 127 N N 0.798 119.549 118.700 0.085 0.000 2.328 127 N HA 0.477 5.217 4.740 -0.000 0.000 0.277 127 N C 0.899 176.521 175.510 0.186 0.000 1.286 127 N CA 0.126 53.236 53.050 0.101 0.000 0.949 127 N CB 0.398 38.927 38.487 0.070 0.000 1.136 127 N HN 0.877 nan 8.380 nan 0.000 0.550 128 A N -1.387 121.518 122.820 0.143 0.000 2.235 128 A HA 0.310 4.630 4.320 -0.000 0.000 0.208 128 A C 0.127 177.736 177.584 0.041 0.000 1.172 128 A CA 0.719 52.837 52.037 0.135 0.000 0.786 128 A CB -1.608 17.393 19.000 0.002 0.000 0.804 128 A HN 1.613 nan 8.150 nan 0.000 0.479 129 S N -2.922 112.872 115.700 0.157 0.000 3.061 129 S HA 0.069 4.539 4.470 -0.000 0.000 0.677 129 S C -0.823 173.777 174.600 0.001 0.000 0.814 129 S CA -0.430 57.857 58.200 0.146 0.000 1.374 129 S CB -0.847 62.315 63.200 -0.063 0.000 1.099 129 S HN 0.458 nan 8.310 nan 0.000 0.301 130 M N 1.245 120.853 119.600 0.013 0.000 2.811 130 M HA 0.497 4.977 4.480 -0.000 0.000 0.303 130 M C 0.806 177.044 176.300 -0.104 0.000 1.227 130 M CA -0.790 54.395 55.300 -0.192 0.000 0.874 130 M CB -0.158 32.328 32.600 -0.189 0.000 1.681 130 M HN 0.859 nan 8.290 nan 0.000 0.500 131 Y N 1.039 121.340 120.300 0.001 0.000 2.128 131 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 131 Y C 1.219 177.118 175.900 -0.002 0.000 1.154 131 Y CA 1.102 59.207 58.100 0.009 0.000 1.149 131 Y CB -0.443 38.011 38.460 -0.009 0.000 0.976 131 Y HN 0.674 nan 8.280 nan 0.000 0.505 132 D N -3.880 116.539 120.400 0.033 0.000 2.768 132 D HA 0.233 4.873 4.640 -0.000 0.000 0.327 132 D C 1.308 177.410 176.300 -0.330 0.000 1.302 132 D CA -0.047 53.870 54.000 -0.138 0.000 0.897 132 D CB 0.509 41.161 40.800 -0.247 0.000 1.420 132 D HN 0.060 nan 8.370 nan 0.000 0.494 133 G N -0.156 108.343 108.800 -0.502 0.000 2.418 133 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 133 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 133 G C 1.395 175.669 174.900 -1.044 0.000 1.158 133 G CA 1.867 46.540 45.100 -0.711 0.000 0.771 133 G HN 0.711 nan 8.290 nan 0.000 0.545 134 A N 0.948 123.037 122.820 -1.217 0.000 1.865 134 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 134 A C 2.695 179.949 177.584 -0.549 0.000 1.191 134 A CA 3.113 54.581 52.037 -0.950 0.000 0.623 134 A CB -1.303 17.348 19.000 -0.583 0.000 0.826 134 A HN 0.577 nan 8.150 nan 0.000 0.444 135 T N -2.163 112.144 114.554 -0.412 0.000 2.821 135 T HA 0.096 4.446 4.350 -0.000 0.000 0.267 135 T C 1.935 176.386 174.700 -0.415 0.000 1.046 135 T CA 1.644 63.517 62.100 -0.378 0.000 1.139 135 T CB -0.628 68.178 68.868 -0.104 0.000 0.871 135 T HN 0.629 nan 8.240 nan 0.000 0.454 136 A N 1.649 124.241 122.820 -0.379 0.000 1.940 136 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 136 A C 2.323 179.698 177.584 -0.348 0.000 1.176 136 A CA 1.713 53.545 52.037 -0.342 0.000 0.631 136 A CB -0.916 17.863 19.000 -0.369 0.000 0.814 136 A HN 0.503 nan 8.150 nan 0.000 0.446 137 L N -0.303 120.686 121.223 -0.391 0.000 2.027 137 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 137 L C 2.648 179.338 176.870 -0.301 0.000 1.074 137 L CA 2.262 56.917 54.840 -0.309 0.000 0.745 137 L CB -1.029 40.874 42.059 -0.259 0.000 0.898 137 L HN 0.323 nan 8.230 nan 0.000 0.433 138 A N -0.662 121.909 122.820 -0.414 0.000 1.883 138 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 138 A C 2.153 179.507 177.584 -0.384 0.000 1.186 138 A CA 1.852 53.592 52.037 -0.494 0.000 0.624 138 A CB -0.648 17.673 19.000 -1.132 0.000 0.822 138 A HN 0.579 nan 8.150 nan 0.000 0.444 139 E N -0.545 119.426 120.200 -0.381 0.000 2.106 139 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 139 E C 2.204 178.708 176.600 -0.160 0.000 0.984 139 E CA 1.067 57.335 56.400 -0.221 0.000 0.806 139 E CB -0.687 28.895 29.700 -0.197 0.000 0.750 139 E HN 0.591 nan 8.360 nan 0.000 0.458 140 G N 1.275 109.965 108.800 -0.182 0.000 2.421 140 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 140 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 140 G C 1.862 176.680 174.900 -0.137 0.000 1.171 140 G CA 1.029 46.040 45.100 -0.149 0.000 0.775 140 G HN 0.170 nan 8.290 nan 0.000 0.543 141 V N 1.171 121.000 119.914 -0.142 0.000 2.287 141 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 141 V C 2.946 178.989 176.094 -0.085 0.000 1.053 141 V CA 1.665 63.899 62.300 -0.111 0.000 1.027 141 V CB -0.562 31.202 31.823 -0.099 0.000 0.646 141 V HN 0.350 nan 8.190 nan 0.000 0.447 142 L N -0.652 120.526 121.223 -0.074 0.000 2.079 142 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 142 L C 2.439 179.281 176.870 -0.048 0.000 1.081 142 L CA 1.590 56.407 54.840 -0.038 0.000 0.752 142 L CB -0.527 41.527 42.059 -0.009 0.000 0.896 142 L HN 0.372 nan 8.230 nan 0.000 0.433 143 L N -0.266 120.914 121.223 -0.072 0.000 2.093 143 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 143 L C 2.714 179.506 176.870 -0.131 0.000 1.085 143 L CA 1.398 56.188 54.840 -0.083 0.000 0.755 143 L CB -0.239 41.767 42.059 -0.088 0.000 0.904 143 L HN 0.214 nan 8.230 nan 0.000 0.435 144 A N 0.084 122.819 122.820 -0.143 0.000 1.933 144 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 144 A C 2.150 179.669 177.584 -0.109 0.000 1.175 144 A CA 1.599 53.537 52.037 -0.165 0.000 0.628 144 A CB -0.683 18.239 19.000 -0.130 0.000 0.814 144 A HN 0.515 nan 8.150 nan 0.000 0.444 145 L N -1.242 119.940 121.223 -0.067 0.000 2.072 145 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 145 L C 2.851 179.705 176.870 -0.026 0.000 1.079 145 L CA 1.216 56.035 54.840 -0.035 0.000 0.752 145 L CB -0.563 41.486 42.059 -0.017 0.000 0.906 145 L HN 0.348 nan 8.230 nan 0.000 0.436 146 R N -0.009 120.476 120.500 -0.025 0.000 2.081 146 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 146 R C 2.218 178.513 176.300 -0.009 0.000 1.131 146 R CA 1.457 57.555 56.100 -0.002 0.000 0.960 146 R CB -0.249 30.058 30.300 0.011 0.000 0.856 146 R HN 0.235 nan 8.270 nan 0.000 0.436 147 E N 0.531 120.698 120.200 -0.056 0.000 2.031 147 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 147 E C 1.903 178.483 176.600 -0.033 0.000 0.994 147 E CA 2.329 58.686 56.400 -0.073 0.000 0.800 147 E CB -0.206 29.347 29.700 -0.245 0.000 0.752 147 E HN 0.383 nan 8.360 nan 0.000 0.447 148 T N -3.588 110.940 114.554 -0.044 0.000 3.023 148 T HA 0.150 4.500 4.350 -0.000 0.000 0.266 148 T C 1.637 176.344 174.700 0.010 0.000 1.093 148 T CA 0.916 63.013 62.100 -0.007 0.000 1.129 148 T CB -0.243 68.621 68.868 -0.007 0.000 0.899 148 T HN 0.420 nan 8.240 nan 0.000 0.491 149 G N 1.575 110.380 108.800 0.007 0.000 2.162 149 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 149 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 149 G C 0.196 175.104 174.900 0.014 0.000 0.976 149 G CA 0.201 45.311 45.100 0.017 0.000 0.655 149 G HN 0.720 nan 8.290 nan 0.000 0.533 150 R N -1.174 119.332 120.500 0.010 0.000 2.700 150 R HA 0.808 5.148 4.340 -0.000 0.000 0.253 150 R C 0.824 177.128 176.300 0.008 0.000 1.091 150 R CA -0.833 55.274 56.100 0.011 0.000 1.104 150 R CB 0.416 30.724 30.300 0.013 0.000 1.202 150 R HN 0.101 nan 8.270 nan 0.000 0.532 151 M N 0.292 119.898 119.600 0.009 0.000 2.625 151 M HA 0.248 4.728 4.480 -0.000 0.000 0.396 151 M C -0.169 176.136 176.300 0.009 0.000 1.174 151 M CA -0.126 55.179 55.300 0.008 0.000 0.898 151 M CB 1.300 33.906 32.600 0.010 0.000 1.450 151 M HN 0.734 nan 8.290 nan 0.000 0.522 152 G N 0.780 109.586 108.800 0.009 0.000 2.415 152 G HA2 0.636 4.596 3.960 -0.000 0.000 0.327 152 G HA3 0.636 4.596 3.960 -0.000 0.000 0.327 152 G C -1.032 173.874 174.900 0.010 0.000 1.182 152 G CA -0.351 44.756 45.100 0.011 0.000 0.924 152 G HN 0.050 nan 8.290 nan 0.000 0.470 153 V N 2.722 122.641 119.914 0.009 0.000 2.638 153 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 153 V C -0.324 175.777 176.094 0.011 0.000 1.052 153 V CA -0.658 61.645 62.300 0.006 0.000 0.885 153 V CB 1.796 33.615 31.823 -0.006 0.000 0.999 153 V HN 0.640 nan 8.190 nan 0.000 0.424 154 L N 4.922 126.157 121.223 0.021 0.000 2.298 154 L HA 0.686 5.026 4.340 -0.000 0.000 0.284 154 L C -0.569 176.313 176.870 0.021 0.000 1.013 154 L CA -0.694 54.164 54.840 0.031 0.000 0.824 154 L CB 1.767 43.861 42.059 0.059 0.000 1.221 154 L HN 0.451 nan 8.230 nan 0.000 0.418 155 V N 3.114 123.032 119.914 0.006 0.000 2.487 155 V HA 0.350 4.470 4.120 -0.000 0.000 0.298 155 V C 0.263 176.351 176.094 -0.009 0.000 1.028 155 V CA -0.282 62.010 62.300 -0.012 0.000 0.860 155 V CB 2.190 34.000 31.823 -0.022 0.000 0.991 155 V HN 0.843 nan 8.190 nan 0.000 0.427 156 S N 4.222 119.907 115.700 -0.026 0.000 2.549 156 S HA 0.052 4.522 4.470 -0.000 0.000 0.286 156 S C 1.037 175.638 174.600 0.002 0.000 1.314 156 S CA 0.679 58.868 58.200 -0.018 0.000 1.062 156 S CB 0.992 64.143 63.200 -0.082 0.000 0.865 156 S HN 0.975 nan 8.310 nan 0.000 0.498 157 Q N 3.548 123.361 119.800 0.021 0.000 2.364 157 Q HA -0.049 4.291 4.340 -0.000 0.000 0.207 157 Q C 1.760 177.855 176.000 0.158 0.000 0.970 157 Q CA 1.349 57.159 55.803 0.012 0.000 0.888 157 Q CB -0.748 27.956 28.738 -0.057 0.000 0.951 157 Q HN 1.003 nan 8.270 nan 0.000 0.469 158 G N 0.270 109.163 108.800 0.154 0.000 2.498 158 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 158 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 158 G C 0.545 175.523 174.900 0.130 0.000 1.119 158 G CA 0.227 45.441 45.100 0.188 0.000 0.766 158 G HN 0.197 nan 8.290 nan 0.000 0.552 159 V N 1.599 121.544 119.914 0.053 0.000 2.637 159 V HA 0.040 4.160 4.120 -0.000 0.000 0.296 159 V C 0.886 176.949 176.094 -0.051 0.000 1.046 159 V CA -1.082 61.215 62.300 -0.005 0.000 1.066 159 V CB 0.969 32.785 31.823 -0.012 0.000 0.968 159 V HN 0.417 nan 8.190 nan 0.000 0.483 160 H N 8.704 127.590 119.070 -0.307 0.000 3.195 160 H HA -0.035 4.521 4.556 -0.000 0.000 0.302 160 H C -1.321 173.741 175.328 -0.442 0.000 0.950 160 H CA -0.964 54.755 56.048 -0.548 0.000 1.398 160 H CB 1.210 30.465 29.762 -0.845 0.000 1.377 160 H HN 0.426 nan 8.280 nan 0.000 0.572 161 P HA -0.189 nan 4.420 nan 0.000 0.216 161 P C 0.910 178.226 177.300 0.027 0.000 1.150 161 P CA 1.514 64.504 63.100 -0.183 0.000 0.843 161 P CB 0.338 31.858 31.700 -0.301 0.000 0.787 162 E N -1.595 118.739 120.200 0.224 0.000 2.107 162 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 162 E C 2.178 178.868 176.600 0.149 0.000 0.982 162 E CA 0.718 57.193 56.400 0.125 0.000 0.809 162 E CB -0.395 29.336 29.700 0.052 0.000 0.756 162 E HN 0.256 nan 8.360 nan 0.000 0.459 163 Y N 1.113 121.352 120.300 -0.102 0.000 2.181 163 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 163 Y C 2.261 178.110 175.900 -0.086 0.000 1.146 163 Y CA 0.915 58.939 58.100 -0.128 0.000 1.164 163 Y CB -0.416 37.973 38.460 -0.118 0.000 0.982 163 Y HN -0.045 nan 8.280 nan 0.000 0.515 164 R N -0.395 120.176 120.500 0.118 0.000 2.081 164 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 164 R C 2.498 178.813 176.300 0.025 0.000 1.131 164 R CA 1.176 57.299 56.100 0.038 0.000 0.960 164 R CB -0.669 29.630 30.300 -0.001 0.000 0.856 164 R HN 0.295 nan 8.270 nan 0.000 0.436 165 A N 0.774 123.610 122.820 0.026 0.000 1.908 165 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 165 A C 2.376 179.984 177.584 0.040 0.000 1.181 165 A CA 1.461 53.510 52.037 0.020 0.000 0.627 165 A CB -0.550 18.458 19.000 0.013 0.000 0.818 165 A HN 0.120 nan 8.150 nan 0.000 0.445 166 V N -0.304 119.637 119.914 0.045 0.000 2.358 166 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 166 V C 2.497 178.676 176.094 0.143 0.000 1.047 166 V CA 1.908 64.261 62.300 0.088 0.000 1.035 166 V CB -0.760 31.068 31.823 0.008 0.000 0.658 166 V HN 0.619 nan 8.190 nan 0.000 0.452 167 L N 0.632 121.877 121.223 0.037 0.000 2.046 167 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 167 L C 2.569 179.485 176.870 0.077 0.000 1.077 167 L CA 2.311 57.163 54.840 0.019 0.000 0.747 167 L CB -0.724 41.319 42.059 -0.026 0.000 0.896 167 L HN 0.272 nan 8.230 nan 0.000 0.432 168 R N -0.287 120.246 120.500 0.055 0.000 2.083 168 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 168 R C 2.197 178.531 176.300 0.057 0.000 1.137 168 R CA 1.669 57.793 56.100 0.041 0.000 0.951 168 R CB -0.589 29.722 30.300 0.018 0.000 0.851 168 R HN 0.483 nan 8.270 nan 0.000 0.434 169 A N -0.123 122.739 122.820 0.070 0.000 1.940 169 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 169 A C 1.984 179.582 177.584 0.022 0.000 1.176 169 A CA 1.395 53.451 52.037 0.032 0.000 0.631 169 A CB -0.834 18.175 19.000 0.015 0.000 0.814 169 A HN 0.548 nan 8.150 nan 0.000 0.446 170 Y N -0.995 119.291 120.300 -0.024 0.000 2.242 170 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 170 Y C 2.152 178.041 175.900 -0.019 0.000 1.137 170 Y CA 1.121 59.208 58.100 -0.022 0.000 1.181 170 Y CB -0.175 38.267 38.460 -0.030 0.000 0.989 170 Y HN 0.206 nan 8.280 nan 0.000 0.527 171 L N 0.083 121.387 121.223 0.135 0.000 2.056 171 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 171 L C 2.052 178.942 176.870 0.035 0.000 1.078 171 L CA 1.632 56.513 54.840 0.068 0.000 0.749 171 L CB -0.996 41.089 42.059 0.044 0.000 0.901 171 L HN 0.250 nan 8.230 nan 0.000 0.433 172 E N -0.752 119.461 120.200 0.022 0.000 2.204 172 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 172 E C 2.208 178.801 176.600 -0.011 0.000 0.990 172 E CA 0.964 57.365 56.400 0.002 0.000 0.821 172 E CB -0.147 29.549 29.700 -0.006 0.000 0.750 172 E HN 0.494 nan 8.360 nan 0.000 0.477 173 A N 1.340 124.147 122.820 -0.023 0.000 1.873 173 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 173 A C 2.455 180.028 177.584 -0.018 0.000 1.186 173 A CA 1.561 53.571 52.037 -0.044 0.000 0.616 173 A CB -0.585 18.353 19.000 -0.104 0.000 0.823 173 A HN 0.234 nan 8.150 nan 0.000 0.442 174 V N -3.593 116.324 119.914 0.005 0.000 3.623 174 V HA 0.494 4.614 4.120 -0.000 0.000 0.271 174 V C 1.276 177.377 176.094 0.012 0.000 1.248 174 V CA 0.648 62.957 62.300 0.015 0.000 1.156 174 V CB -0.911 30.932 31.823 0.033 0.000 0.870 174 V HN 1.595 nan 8.190 nan 0.000 0.453 175 G N -0.125 108.680 108.800 0.008 0.000 2.182 175 G HA2 0.008 3.968 3.960 -0.000 0.000 0.248 175 G HA3 0.008 3.968 3.960 -0.000 0.000 0.248 175 G C 0.234 175.140 174.900 0.010 0.000 1.042 175 G CA 0.353 45.457 45.100 0.007 0.000 0.775 175 G HN 1.506 nan 8.290 nan 0.000 0.501 176 A N -0.639 122.189 122.820 0.014 0.000 2.239 176 A HA 0.884 5.204 4.320 -0.000 0.000 0.303 176 A C 0.283 177.873 177.584 0.010 0.000 1.114 176 A CA -0.431 51.614 52.037 0.013 0.000 0.871 176 A CB 0.831 19.841 19.000 0.016 0.000 1.201 176 A HN 0.288 nan 8.150 nan 0.000 0.506 177 K N 0.126 120.532 120.400 0.009 0.000 2.292 177 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 177 K C -1.744 174.860 176.600 0.007 0.000 0.940 177 K CA -0.488 55.803 56.287 0.007 0.000 0.811 177 K CB 1.577 34.081 32.500 0.007 0.000 1.120 177 K HN 0.426 nan 8.250 nan 0.000 0.428 178 L N 3.624 124.850 121.223 0.005 0.000 2.319 178 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 178 L C -1.481 175.389 176.870 -0.000 0.000 1.005 178 L CA -0.897 53.944 54.840 0.002 0.000 0.828 178 L CB 1.263 43.323 42.059 0.002 0.000 1.227 178 L HN 0.558 nan 8.230 nan 0.000 0.415 179 L N 4.310 125.535 121.223 0.002 0.000 2.322 179 L HA 0.680 5.020 4.340 -0.000 0.000 0.281 179 L C -0.366 176.505 176.870 0.001 0.000 1.014 179 L CA 0.236 55.078 54.840 0.003 0.000 0.815 179 L CB 2.023 44.089 42.059 0.010 0.000 1.247 179 L HN 0.679 nan 8.230 nan 0.000 0.421 180 T N 6.079 120.629 114.554 -0.006 0.000 2.758 180 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 180 T C -0.197 174.501 174.700 -0.003 0.000 0.981 180 T CA -0.319 61.773 62.100 -0.013 0.000 0.965 180 T CB 0.543 69.389 68.868 -0.036 0.000 0.927 180 T HN 0.407 nan 8.240 nan 0.000 0.448 181 L N 6.172 127.402 121.223 0.013 0.000 2.282 181 L HA 0.337 4.677 4.340 -0.000 0.000 0.287 181 L C -1.924 174.963 176.870 0.029 0.000 1.075 181 L CA -2.141 52.719 54.840 0.034 0.000 0.839 181 L CB -0.062 42.039 42.059 0.069 0.000 1.219 181 L HN 0.301 nan 8.230 nan 0.000 0.434 182 P HA 0.002 nan 4.420 nan 0.000 0.266 182 P C -0.354 176.982 177.300 0.060 0.000 1.195 182 P CA -0.476 62.633 63.100 0.014 0.000 0.768 182 P CB 1.144 32.845 31.700 0.001 0.000 0.838 183 L N 3.097 124.376 121.223 0.093 0.000 2.439 183 L HA 0.117 4.457 4.340 -0.000 0.000 0.269 183 L C 0.996 177.937 176.870 0.119 0.000 1.179 183 L CA 0.718 55.643 54.840 0.141 0.000 0.828 183 L CB -0.424 41.780 42.059 0.241 0.000 1.106 183 L HN 0.399 nan 8.230 nan 0.000 0.467 184 E N 1.993 122.249 120.200 0.094 0.000 2.235 184 E HA 0.450 4.800 4.350 -0.000 0.000 0.252 184 E C 0.295 176.908 176.600 0.022 0.000 0.886 184 E CA 0.002 56.436 56.400 0.056 0.000 0.767 184 E CB 1.129 30.857 29.700 0.046 0.000 1.205 184 E HN 0.804 nan 8.360 nan 0.000 0.421 185 G N 2.426 111.206 108.800 -0.035 0.000 2.246 185 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 185 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 185 G C 0.886 175.721 174.900 -0.108 0.000 1.055 185 G CA 0.455 45.476 45.100 -0.131 0.000 0.851 185 G HN 1.129 nan 8.290 nan 0.000 0.500 186 G N -1.718 107.066 108.800 -0.028 0.000 2.189 186 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 186 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 186 G C 0.390 175.352 174.900 0.103 0.000 0.975 186 G CA 1.362 46.512 45.100 0.082 0.000 0.644 186 G HN 1.060 nan 8.290 nan 0.000 0.537 187 R N -0.387 120.166 120.500 0.088 0.000 2.807 187 R HA 0.553 4.893 4.340 -0.000 0.000 0.276 187 R C -0.594 175.781 176.300 0.124 0.000 0.979 187 R CA -0.462 55.699 56.100 0.102 0.000 0.928 187 R CB 1.220 31.572 30.300 0.086 0.000 1.191 187 R HN 0.113 nan 8.270 nan 0.000 0.471 188 T N 4.913 119.558 114.554 0.151 0.000 2.729 188 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 188 T C -2.200 172.700 174.700 0.333 0.000 0.928 188 T CA -1.096 61.126 62.100 0.202 0.000 1.045 188 T CB 0.918 69.847 68.868 0.102 0.000 0.902 188 T HN 0.338 nan 8.240 nan 0.000 0.500 189 P HA 0.178 nan 4.420 nan 0.000 0.275 189 P C -0.231 177.139 177.300 0.116 0.000 1.227 189 P CA -0.820 62.357 63.100 0.129 0.000 0.781 189 P CB 0.761 32.505 31.700 0.073 0.000 0.906 190 L N 6.148 127.308 121.223 -0.105 0.000 2.562 190 L HA 0.189 4.529 4.340 -0.000 0.000 0.271 190 L C -1.761 175.052 176.870 -0.094 0.000 1.167 190 L CA -0.879 53.780 54.840 -0.301 0.000 0.917 190 L CB -0.734 41.080 42.059 -0.408 0.000 1.187 190 L HN 0.356 nan 8.230 nan 0.000 0.482 191 P HA 0.237 nan 4.420 nan 0.000 0.281 191 P C -1.233 176.063 177.300 -0.006 0.000 1.281 191 P CA -0.752 62.364 63.100 0.027 0.000 0.811 191 P CB 0.927 32.683 31.700 0.094 0.000 1.154 192 E N -0.094 120.108 120.200 0.004 0.000 2.227 192 E HA 0.367 4.717 4.350 -0.000 0.000 0.282 192 E C -1.063 175.546 176.600 0.014 0.000 1.015 192 E CA -0.782 55.617 56.400 -0.002 0.000 0.823 192 E CB 1.001 30.700 29.700 -0.001 0.000 1.081 192 E HN 0.114 nan 8.360 nan 0.000 0.396 193 V N 4.082 124.004 119.914 0.012 0.000 2.357 193 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 193 V C 0.696 176.803 176.094 0.022 0.000 1.018 193 V CA -0.704 61.611 62.300 0.025 0.000 0.841 193 V CB 1.241 33.083 31.823 0.032 0.000 0.991 193 V HN 0.778 nan 8.190 nan 0.000 0.437 194 G N 2.525 111.339 108.800 0.023 0.000 2.528 194 G HA2 0.374 4.334 3.960 -0.000 0.000 0.289 194 G HA3 0.374 4.334 3.960 -0.000 0.000 0.289 194 G C 0.443 175.358 174.900 0.025 0.000 1.192 194 G CA -0.374 44.739 45.100 0.021 0.000 0.921 194 G HN 0.758 nan 8.290 nan 0.000 0.512 195 E N 0.054 120.268 120.200 0.023 0.000 2.409 195 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 195 E C 1.998 178.613 176.600 0.024 0.000 1.024 195 E CA 0.747 57.162 56.400 0.026 0.000 0.861 195 E CB 0.249 29.964 29.700 0.024 0.000 0.788 195 E HN 0.744 nan 8.360 nan 0.000 0.521 196 E N 0.944 121.156 120.200 0.021 0.000 2.358 196 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 196 E C 0.762 177.374 176.600 0.020 0.000 1.010 196 E CA 0.330 56.742 56.400 0.019 0.000 0.856 196 E CB -0.019 29.691 29.700 0.016 0.000 0.795 196 E HN -0.028 nan 8.360 nan 0.000 0.504 197 V N 1.519 121.448 119.914 0.024 0.000 2.530 197 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 197 V C 1.237 177.348 176.094 0.028 0.000 1.048 197 V CA 0.482 62.798 62.300 0.027 0.000 0.997 197 V CB 1.466 33.310 31.823 0.034 0.000 0.987 197 V HN 0.368 nan 8.190 nan 0.000 0.477 198 G N 3.015 111.826 108.800 0.020 0.000 2.944 198 G HA2 0.554 4.514 3.960 -0.000 0.000 0.220 198 G HA3 0.554 4.514 3.960 -0.000 0.000 0.220 198 G C 0.247 175.151 174.900 0.007 0.000 1.100 198 G CA 0.707 45.815 45.100 0.013 0.000 0.780 198 G HN 0.984 nan 8.290 nan 0.000 0.539 199 A N 0.044 122.870 122.820 0.011 0.000 2.437 199 A HA 0.649 4.969 4.320 -0.000 0.000 0.293 199 A C -1.596 176.003 177.584 0.026 0.000 1.038 199 A CA -0.345 51.694 52.037 0.003 0.000 0.708 199 A CB 1.934 20.911 19.000 -0.038 0.000 1.251 199 A HN 0.333 nan 8.150 nan 0.000 0.409 200 V N 2.976 122.930 119.914 0.067 0.000 2.378 200 V HA 0.491 4.611 4.120 -0.000 0.000 0.288 200 V C -0.354 175.757 176.094 0.029 0.000 1.016 200 V CA -0.543 61.831 62.300 0.123 0.000 0.840 200 V CB 1.377 33.362 31.823 0.271 0.000 0.994 200 V HN 0.680 nan 8.190 nan 0.000 0.431 201 V N 5.796 125.680 119.914 -0.050 0.000 2.459 201 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 201 V C -0.246 175.749 176.094 -0.165 0.000 1.029 201 V CA -0.497 61.696 62.300 -0.180 0.000 0.874 201 V CB 1.849 33.589 31.823 -0.138 0.000 0.985 201 V HN 0.611 nan 8.190 nan 0.000 0.438 202 V N 4.018 123.776 119.914 -0.259 0.000 2.888 202 V HA 0.493 4.613 4.120 -0.000 0.000 0.309 202 V C -0.635 175.346 176.094 -0.189 0.000 1.114 202 V CA -0.691 61.464 62.300 -0.242 0.000 0.940 202 V CB 2.032 33.627 31.823 -0.380 0.000 1.021 202 V HN 0.910 nan 8.190 nan 0.000 0.426 203 Q N 2.675 122.398 119.800 -0.129 0.000 2.293 203 Q HA 0.578 4.918 4.340 -0.000 0.000 0.261 203 Q C -1.132 174.834 176.000 -0.057 0.000 0.960 203 Q CA -0.501 55.257 55.803 -0.076 0.000 0.882 203 Q CB 1.636 30.349 28.738 -0.041 0.000 1.275 203 Q HN 0.787 nan 8.270 nan 0.000 0.445 204 N N 4.462 123.138 118.700 -0.042 0.000 2.519 204 N HA 0.447 5.187 4.740 -0.000 0.000 0.286 204 N C -2.863 172.614 175.510 -0.054 0.000 1.079 204 N CA -1.542 51.485 53.050 -0.038 0.000 0.878 204 N CB 1.859 40.319 38.487 -0.046 0.000 1.375 204 N HN 0.310 nan 8.380 nan 0.000 0.514 205 P HA 0.168 nan 4.420 nan 0.000 0.272 205 P C -0.253 177.061 177.300 0.022 0.000 1.240 205 P CA -0.349 62.752 63.100 0.002 0.000 0.791 205 P CB 0.540 32.278 31.700 0.063 0.000 0.978 206 N N 0.293 119.017 118.700 0.041 0.000 2.297 206 N HA -0.054 4.686 4.740 -0.000 0.000 0.232 206 N C 0.870 176.399 175.510 0.032 0.000 1.311 206 N CA -0.035 53.043 53.050 0.046 0.000 0.897 206 N CB -0.187 38.339 38.487 0.065 0.000 1.137 206 N HN 0.377 nan 8.380 nan 0.000 0.449 207 F N 0.787 120.664 119.950 -0.122 0.000 2.216 207 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 207 F C 1.610 177.262 175.800 -0.247 0.000 1.085 207 F CA 1.223 59.084 58.000 -0.232 0.000 1.326 207 F CB -0.011 38.782 39.000 -0.345 0.000 1.027 207 F HN 0.407 nan 8.300 nan 0.000 0.497 208 L N -0.208 120.832 121.223 -0.306 0.000 2.612 208 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 208 L C 1.849 178.632 176.870 -0.145 0.000 1.140 208 L CA 0.616 55.260 54.840 -0.327 0.000 0.896 208 L CB -0.866 41.121 42.059 -0.119 0.000 1.065 208 L HN 0.443 nan 8.230 nan 0.000 0.447 209 G N 0.026 108.783 108.800 -0.073 0.000 2.199 209 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 209 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 209 G C 0.500 175.529 174.900 0.214 0.000 0.982 209 G CA 0.052 45.204 45.100 0.087 0.000 0.632 209 G HN 0.508 nan 8.290 nan 0.000 0.529 210 A N 0.541 123.456 122.820 0.159 0.000 2.462 210 A HA 0.639 4.959 4.320 -0.000 0.000 0.243 210 A C 0.710 178.385 177.584 0.152 0.000 1.076 210 A CA 0.073 52.224 52.037 0.190 0.000 0.773 210 A CB 0.265 19.346 19.000 0.136 0.000 1.010 210 A HN 0.857 nan 8.150 nan 0.000 0.493 211 L N 2.304 123.621 121.223 0.156 0.000 2.349 211 L HA 0.331 4.671 4.340 -0.000 0.000 0.275 211 L C 0.342 177.256 176.870 0.073 0.000 1.115 211 L CA -0.040 54.863 54.840 0.105 0.000 0.820 211 L CB 0.707 42.837 42.059 0.119 0.000 1.135 211 L HN 0.713 nan 8.230 nan 0.000 0.445 212 E N 1.565 121.785 120.200 0.034 0.000 2.222 212 E HA 0.166 4.516 4.350 -0.000 0.000 0.267 212 E C -1.353 175.235 176.600 -0.020 0.000 0.884 212 E CA -0.808 55.611 56.400 0.032 0.000 0.764 212 E CB 2.617 32.319 29.700 0.004 0.000 1.169 212 E HN 0.402 nan 8.360 nan 0.000 0.413 213 D N 3.145 123.563 120.400 0.029 0.000 2.352 213 D HA 0.081 4.721 4.640 -0.000 0.000 0.245 213 D C 0.675 176.939 176.300 -0.061 0.000 1.224 213 D CA -0.035 53.934 54.000 -0.053 0.000 0.879 213 D CB 0.479 41.295 40.800 0.027 0.000 1.057 213 D HN 0.386 nan 8.370 nan 0.000 0.491 214 L N 3.153 124.100 121.223 -0.460 0.000 2.395 214 L HA 0.128 4.468 4.340 -0.000 0.000 0.218 214 L C 2.381 179.129 176.870 -0.204 0.000 1.130 214 L CA 0.443 55.114 54.840 -0.282 0.000 0.826 214 L CB -0.291 41.487 42.059 -0.468 0.000 0.941 214 L HN 0.523 nan 8.230 nan 0.000 0.451 215 G N 1.992 110.708 108.800 -0.140 0.000 2.628 215 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 215 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 215 G C -0.344 174.495 174.900 -0.102 0.000 1.240 215 G CA 1.081 46.214 45.100 0.054 0.000 0.792 215 G HN 0.300 nan 8.290 nan 0.000 0.593 216 P HA -0.149 nan 4.420 nan 0.000 0.216 216 P C 1.537 178.589 177.300 -0.413 0.000 1.150 216 P CA 1.214 64.142 63.100 -0.287 0.000 0.843 216 P CB -0.281 31.203 31.700 -0.361 0.000 0.787 217 F N 0.877 120.607 119.950 -0.366 0.000 2.171 217 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 217 F C 2.768 178.063 175.800 -0.842 0.000 1.090 217 F CA 1.419 59.102 58.000 -0.528 0.000 1.293 217 F CB -1.517 37.144 39.000 -0.565 0.000 1.013 217 F HN -0.046 nan 8.300 nan 0.000 0.486 218 A N -0.030 122.279 122.820 -0.852 0.000 1.877 218 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 218 A C 2.142 179.388 177.584 -0.563 0.000 1.186 218 A CA 1.890 53.432 52.037 -0.825 0.000 0.620 218 A CB -0.827 17.939 19.000 -0.391 0.000 0.822 218 A HN 0.426 nan 8.150 nan 0.000 0.443 219 E N -0.316 119.721 120.200 -0.271 0.000 2.038 219 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 219 E C 2.379 178.908 176.600 -0.118 0.000 1.000 219 E CA 1.038 57.372 56.400 -0.110 0.000 0.803 219 E CB -0.347 29.307 29.700 -0.076 0.000 0.750 219 E HN 0.606 nan 8.360 nan 0.000 0.448 220 A N 1.566 124.285 122.820 -0.167 0.000 1.917 220 A HA -0.226 4.093 4.320 -0.000 0.000 0.219 220 A C 2.398 179.941 177.584 -0.067 0.000 1.182 220 A CA 2.055 54.026 52.037 -0.110 0.000 0.633 220 A CB -0.803 18.117 19.000 -0.133 0.000 0.819 220 A HN 0.320 nan 8.150 nan 0.000 0.448 221 A N -0.991 121.755 122.820 -0.123 0.000 1.858 221 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 221 A C 2.036 179.628 177.584 0.013 0.000 1.190 221 A CA 1.726 53.729 52.037 -0.058 0.000 0.617 221 A CB -0.972 17.983 19.000 -0.075 0.000 0.827 221 A HN 0.645 nan 8.150 nan 0.000 0.443 222 H N -0.412 118.690 119.070 0.053 0.000 2.421 222 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 222 H C 2.384 177.734 175.328 0.036 0.000 1.087 222 H CA 0.926 57.007 56.048 0.055 0.000 1.330 222 H CB -1.003 28.791 29.762 0.054 0.000 1.388 222 H HN 0.494 nan 8.280 nan 0.000 0.526 223 G N 0.368 109.242 108.800 0.123 0.000 2.418 223 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 223 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 223 G C 1.815 176.751 174.900 0.061 0.000 1.158 223 G CA 0.996 46.139 45.100 0.071 0.000 0.771 223 G HN 0.525 nan 8.290 nan 0.000 0.545 224 A N -0.558 122.297 122.820 0.058 0.000 2.208 224 A HA 0.468 4.788 4.320 -0.000 0.000 0.209 224 A C 1.977 179.599 177.584 0.063 0.000 1.161 224 A CA 1.303 53.370 52.037 0.050 0.000 0.782 224 A CB -0.353 18.671 19.000 0.041 0.000 0.816 224 A HN 1.633 nan 8.150 nan 0.000 0.477 225 G N -2.199 106.656 108.800 0.092 0.000 2.141 225 G HA2 0.130 4.090 3.960 -0.000 0.000 0.242 225 G HA3 0.130 4.090 3.960 -0.000 0.000 0.242 225 G C 0.336 175.298 174.900 0.102 0.000 0.982 225 G CA 0.319 45.477 45.100 0.096 0.000 0.662 225 G HN 1.510 nan 8.290 nan 0.000 0.527 226 A N -0.424 122.464 122.820 0.114 0.000 2.269 226 A HA 0.883 5.203 4.320 -0.000 0.000 0.319 226 A C 0.400 178.079 177.584 0.158 0.000 1.110 226 A CA -0.534 51.563 52.037 0.100 0.000 0.847 226 A CB 0.830 19.877 19.000 0.078 0.000 1.161 226 A HN 0.740 nan 8.150 nan 0.000 0.497 227 L N 0.479 121.766 121.223 0.106 0.000 2.343 227 L HA 0.429 4.769 4.340 -0.000 0.000 0.275 227 L C -0.700 176.268 176.870 0.163 0.000 1.056 227 L CA -0.379 54.543 54.840 0.138 0.000 0.804 227 L CB 1.193 43.229 42.059 -0.038 0.000 1.203 227 L HN 0.729 nan 8.230 nan 0.000 0.440 228 F N 2.616 122.587 119.950 0.035 0.000 2.415 228 F HA 0.506 5.033 4.527 -0.000 0.000 0.348 228 F C -0.458 175.350 175.800 0.013 0.000 1.119 228 F CA -0.691 57.300 58.000 -0.014 0.000 1.069 228 F CB 1.265 40.222 39.000 -0.072 0.000 1.124 228 F HN -0.029 nan 8.300 nan 0.000 0.472 229 V N 6.197 125.693 119.914 -0.695 0.000 2.384 229 V HA 0.729 4.849 4.120 -0.000 0.000 0.287 229 V C -0.144 175.442 176.094 -0.846 0.000 1.020 229 V CA -0.720 61.231 62.300 -0.581 0.000 0.850 229 V CB 1.047 32.680 31.823 -0.316 0.000 0.987 229 V HN 0.975 nan 8.190 nan 0.000 0.436 230 A N 4.941 127.414 122.820 -0.578 0.000 2.288 230 A HA 0.803 5.123 4.320 -0.000 0.000 0.320 230 A C -0.659 176.812 177.584 -0.188 0.000 1.217 230 A CA -0.513 51.285 52.037 -0.398 0.000 0.840 230 A CB 1.348 20.236 19.000 -0.186 0.000 1.179 230 A HN 0.639 nan 8.150 nan 0.000 0.504 231 V N 2.181 122.007 119.914 -0.147 0.000 2.350 231 V HA 0.656 4.776 4.120 -0.000 0.000 0.276 231 V C 0.437 176.522 176.094 -0.016 0.000 1.028 231 V CA 0.179 62.433 62.300 -0.077 0.000 0.860 231 V CB 0.776 32.583 31.823 -0.027 0.000 0.990 231 V HN 1.186 nan 8.190 nan 0.000 0.453 232 A N 3.521 126.363 122.820 0.037 0.000 2.475 232 A HA 0.679 4.999 4.320 -0.000 0.000 0.301 232 A C -0.875 176.806 177.584 0.161 0.000 1.059 232 A CA -0.719 51.376 52.037 0.097 0.000 0.710 232 A CB 1.548 20.630 19.000 0.136 0.000 1.288 232 A HN 0.795 nan 8.150 nan 0.000 0.408 233 D N 2.751 123.216 120.400 0.108 0.000 2.348 233 D HA 0.344 4.984 4.640 -0.000 0.000 0.253 233 D C -1.055 175.332 176.300 0.145 0.000 1.161 233 D CA -1.398 52.680 54.000 0.131 0.000 0.876 233 D CB 1.154 42.018 40.800 0.105 0.000 1.160 233 D HN 0.175 nan 8.370 nan 0.000 0.459 234 P HA -0.202 nan 4.420 nan 0.000 0.215 234 P C 1.634 178.967 177.300 0.056 0.000 1.153 234 P CA 0.531 63.683 63.100 0.087 0.000 0.853 234 P CB 0.176 31.919 31.700 0.070 0.000 0.788 235 L N 1.197 122.465 121.223 0.075 0.000 2.042 235 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 235 L C 2.628 179.593 176.870 0.159 0.000 1.076 235 L CA 2.633 57.535 54.840 0.103 0.000 0.749 235 L CB -1.630 40.467 42.059 0.064 0.000 0.893 235 L HN 0.046 nan 8.230 nan 0.000 0.432 236 S N -1.151 114.630 115.700 0.135 0.000 2.399 236 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 236 S C 1.898 176.478 174.600 -0.034 0.000 1.022 236 S CA 1.001 59.192 58.200 -0.015 0.000 0.983 236 S CB -0.811 62.111 63.200 -0.462 0.000 0.803 236 S HN 0.344 nan 8.310 nan 0.000 0.480 237 L N 2.136 123.356 121.223 -0.005 0.000 2.450 237 L HA 0.100 4.440 4.340 -0.000 0.000 0.224 237 L C 2.467 179.346 176.870 0.015 0.000 1.149 237 L CA 1.204 56.040 54.840 -0.006 0.000 0.816 237 L CB -2.043 40.000 42.059 -0.028 0.000 0.932 237 L HN 0.579 nan 8.230 nan 0.000 0.449 238 G N -1.874 106.959 108.800 0.055 0.000 2.534 238 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.217 238 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.217 238 G C 1.497 176.441 174.900 0.073 0.000 1.128 238 G CA 0.949 46.086 45.100 0.061 0.000 0.784 238 G HN 0.324 nan 8.290 nan 0.000 0.542 239 V N -0.668 119.307 119.914 0.103 0.000 3.380 239 V HA 0.453 4.573 4.120 -0.000 0.000 0.277 239 V C 0.118 176.266 176.094 0.090 0.000 1.590 239 V CA -0.158 62.210 62.300 0.112 0.000 1.019 239 V CB 0.178 32.111 31.823 0.183 0.000 0.828 239 V HN 0.101 nan 8.190 nan 0.000 0.427 240 L N 1.672 122.922 121.223 0.046 0.000 2.325 240 L HA 0.483 4.822 4.340 -0.000 0.000 0.279 240 L C 0.311 177.198 176.870 0.029 0.000 1.054 240 L CA -0.456 54.398 54.840 0.022 0.000 0.804 240 L CB 1.265 43.273 42.059 -0.085 0.000 1.200 240 L HN 0.013 nan 8.230 nan 0.000 0.436 241 K N 4.083 124.504 120.400 0.036 0.000 2.473 241 K HA 0.014 4.334 4.320 -0.000 0.000 0.277 241 K C -2.123 174.488 176.600 0.018 0.000 1.052 241 K CA -0.991 55.253 56.287 -0.072 0.000 1.114 241 K CB 0.259 32.575 32.500 -0.307 0.000 0.869 241 K HN 0.290 nan 8.250 nan 0.000 0.481 242 P HA 0.065 nan 4.420 nan 0.000 0.274 242 P C -2.214 175.188 177.300 0.170 0.000 1.237 242 P CA -1.464 61.678 63.100 0.069 0.000 0.793 242 P CB 0.626 32.333 31.700 0.012 0.000 0.977 243 P HA -0.191 nan 4.420 nan 0.000 0.218 243 P C 1.595 179.064 177.300 0.281 0.000 1.146 243 P CA 1.904 65.202 63.100 0.331 0.000 0.813 243 P CB -0.640 31.190 31.700 0.217 0.000 0.778 244 G N 0.400 109.296 108.800 0.159 0.000 2.422 244 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 244 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 244 G C 1.722 176.672 174.900 0.084 0.000 1.140 244 G CA 0.752 45.924 45.100 0.119 0.000 0.775 244 G HN 0.380 nan 8.290 nan 0.000 0.545 245 A N -0.536 122.284 122.820 -0.000 0.000 2.168 245 A HA 0.244 4.564 4.320 -0.000 0.000 0.215 245 A C 1.771 179.285 177.584 -0.116 0.000 1.152 245 A CA 0.605 52.576 52.037 -0.109 0.000 0.716 245 A CB -0.293 18.562 19.000 -0.243 0.000 0.794 245 A HN 0.385 nan 8.150 nan 0.000 0.465 246 Y N -1.293 119.068 120.300 0.101 0.000 2.457 246 Y HA 0.356 4.906 4.550 -0.000 0.000 0.263 246 Y C 1.869 177.843 175.900 0.125 0.000 1.164 246 Y CA 0.032 58.195 58.100 0.106 0.000 1.274 246 Y CB 0.307 38.851 38.460 0.140 0.000 1.097 246 Y HN 0.410 nan 8.280 nan 0.000 0.523 247 G N -0.223 108.754 108.800 0.294 0.000 2.194 247 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.236 247 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.236 247 G C 0.575 175.738 174.900 0.438 0.000 0.987 247 G CA -0.211 45.078 45.100 0.316 0.000 0.635 247 G HN 0.584 nan 8.290 nan 0.000 0.520 248 A N 0.505 123.621 122.820 0.493 0.000 2.587 248 A HA 0.420 4.740 4.320 -0.000 0.000 0.235 248 A C 1.244 179.046 177.584 0.363 0.000 1.044 248 A CA 1.279 53.640 52.037 0.540 0.000 0.754 248 A CB 0.205 19.430 19.000 0.376 0.000 0.968 248 A HN 0.334 nan 8.150 nan 0.000 0.509 249 D N 1.013 121.622 120.400 0.349 0.000 2.240 249 D HA 0.131 4.771 4.640 -0.000 0.000 0.206 249 D C 0.265 176.700 176.300 0.225 0.000 0.963 249 D CA 1.187 55.392 54.000 0.341 0.000 0.863 249 D CB 0.224 41.243 40.800 0.365 0.000 0.973 249 D HN 0.567 nan 8.370 nan 0.000 0.501 250 I N 0.554 121.181 120.570 0.095 0.000 2.582 250 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 250 I C -0.916 175.194 176.117 -0.011 0.000 1.066 250 I CA -0.921 60.397 61.300 0.030 0.000 1.053 250 I CB 2.435 40.403 38.000 -0.054 0.000 1.241 250 I HN -0.221 nan 8.210 nan 0.000 0.421 251 A N 6.099 128.950 122.820 0.050 0.000 2.343 251 A HA 0.876 5.196 4.320 -0.000 0.000 0.308 251 A C -0.765 176.856 177.584 0.062 0.000 1.092 251 A CA -0.545 51.545 52.037 0.088 0.000 0.751 251 A CB 1.564 20.694 19.000 0.217 0.000 1.203 251 A HN 0.583 nan 8.150 nan 0.000 0.452 252 V N -0.525 119.273 119.914 -0.194 0.000 3.102 252 V HA 1.080 5.200 4.120 -0.000 0.000 0.312 252 V C 0.113 175.630 176.094 -0.962 0.000 1.135 252 V CA -0.172 61.733 62.300 -0.660 0.000 1.022 252 V CB 1.377 32.942 31.823 -0.431 0.000 1.056 252 V HN 2.132 nan 8.190 nan 0.000 0.436 253 G N 0.467 108.414 108.800 -1.421 0.000 2.356 253 G HA2 0.477 4.437 3.960 -0.000 0.000 0.294 253 G HA3 0.477 4.437 3.960 -0.000 0.000 0.294 253 G C -2.402 172.149 174.900 -0.582 0.000 1.423 253 G CA -0.365 44.270 45.100 -0.775 0.000 0.806 253 G HN 1.064 nan 8.290 nan 0.000 0.527 254 D N -1.278 119.006 120.400 -0.193 0.000 2.163 254 D HA 0.554 5.194 4.640 -0.000 0.000 0.248 254 D C 1.155 177.334 176.300 -0.201 0.000 1.035 254 D CA 0.244 54.124 54.000 -0.199 0.000 0.872 254 D CB 1.550 42.320 40.800 -0.049 0.000 1.183 254 D HN 0.591 nan 8.370 nan 0.000 0.445 255 G N 2.080 110.529 108.800 -0.584 0.000 3.371 255 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.248 255 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.248 255 G C 0.984 175.718 174.900 -0.277 0.000 1.161 255 G CA -0.178 44.523 45.100 -0.665 0.000 0.796 255 G HN 0.441 nan 8.290 nan 0.000 0.539 256 Q N 1.697 121.427 119.800 -0.117 0.000 2.226 256 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 256 Q C 2.370 178.320 176.000 -0.083 0.000 0.975 256 Q CA 1.775 57.531 55.803 -0.078 0.000 0.866 256 Q CB -0.264 28.447 28.738 -0.046 0.000 0.915 256 Q HN 0.539 nan 8.270 nan 0.000 0.440 257 S N -0.559 115.096 115.700 -0.075 0.000 2.555 257 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 257 S C 1.259 175.614 174.600 -0.409 0.000 0.978 257 S CA 0.042 58.131 58.200 -0.184 0.000 0.934 257 S CB -0.254 62.888 63.200 -0.098 0.000 0.766 257 S HN 0.363 nan 8.310 nan 0.000 0.533 258 L N 2.134 123.148 121.223 -0.348 0.000 2.796 258 L HA 0.401 4.741 4.340 -0.000 0.000 0.235 258 L C 1.480 177.649 176.870 -1.169 0.000 1.344 258 L CA 0.026 54.474 54.840 -0.653 0.000 1.245 258 L CB -0.838 41.138 42.059 -0.139 0.000 1.556 258 L HN 0.515 nan 8.230 nan 0.000 0.423 259 G N 0.110 108.268 108.800 -1.071 0.000 2.168 259 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 259 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 259 G C 0.044 174.779 174.900 -0.274 0.000 0.977 259 G CA -0.222 44.478 45.100 -0.666 0.000 0.659 259 G HN 0.283 nan 8.290 nan 0.000 0.533 260 L N 2.497 123.596 121.223 -0.206 0.000 2.397 260 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 260 L C -1.058 175.764 176.870 -0.081 0.000 1.148 260 L CA -1.894 52.884 54.840 -0.104 0.000 0.825 260 L CB 0.370 42.384 42.059 -0.075 0.000 1.117 260 L HN 0.009 nan 8.230 nan 0.000 0.456 261 P HA 0.073 nan 4.420 nan 0.000 0.271 261 P C 0.519 177.787 177.300 -0.054 0.000 1.218 261 P CA -0.227 62.849 63.100 -0.040 0.000 0.780 261 P CB 0.629 32.313 31.700 -0.027 0.000 0.901 262 M N 1.321 120.904 119.600 -0.029 0.000 2.213 262 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 262 M C 1.588 177.876 176.300 -0.020 0.000 1.062 262 M CA 1.552 56.832 55.300 -0.035 0.000 1.105 262 M CB -1.181 31.417 32.600 -0.005 0.000 1.385 262 M HN 0.678 nan 8.290 nan 0.000 0.417 263 G N 1.273 110.083 108.800 0.017 0.000 2.450 263 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.302 263 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.302 263 G C 0.208 175.208 174.900 0.165 0.000 0.957 263 G CA 0.388 45.525 45.100 0.061 0.000 1.005 263 G HN 0.614 nan 8.290 nan 0.000 0.514 264 F N -1.636 118.298 119.950 -0.027 0.000 3.090 264 F HA -0.206 4.321 4.527 -0.000 0.000 0.282 264 F C 1.696 177.504 175.800 0.015 0.000 0.923 264 F CA 2.151 60.145 58.000 -0.010 0.000 0.977 264 F CB -1.118 37.879 39.000 -0.004 0.000 0.954 264 F HN 1.875 nan 8.300 nan 0.000 0.695 265 G N -0.844 107.940 108.800 -0.026 0.000 2.179 265 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 265 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 265 G C 1.540 176.478 174.900 0.064 0.000 0.977 265 G CA 0.971 46.070 45.100 -0.002 0.000 0.641 265 G HN 1.521 nan 8.290 nan 0.000 0.533 266 G N 1.484 110.301 108.800 0.028 0.000 2.464 266 G HA2 0.204 4.164 3.960 -0.000 0.000 0.214 266 G HA3 0.204 4.164 3.960 -0.000 0.000 0.214 266 G C -0.497 174.413 174.900 0.016 0.000 1.218 266 G CA 1.105 46.239 45.100 0.057 0.000 0.794 266 G HN 0.640 nan 8.290 nan 0.000 0.542 267 P HA 0.134 nan 4.420 nan 0.000 0.261 267 P C -0.746 176.320 177.300 -0.391 0.000 1.203 267 P CA 0.904 63.917 63.100 -0.145 0.000 0.767 267 P CB 0.537 32.168 31.700 -0.115 0.000 0.785 268 H N 1.966 121.075 119.070 0.065 0.000 2.902 268 H HA 0.548 5.104 4.556 -0.000 0.000 0.297 268 H C -0.720 174.713 175.328 0.176 0.000 1.406 268 H CA -0.259 55.817 56.048 0.046 0.000 1.134 268 H CB 1.851 31.604 29.762 -0.015 0.000 1.833 268 H HN 0.484 nan 8.280 nan 0.000 0.527 269 F N -1.179 118.871 119.950 0.166 0.000 2.655 269 F HA 0.515 5.042 4.527 -0.000 0.000 0.324 269 F C -1.227 174.617 175.800 0.074 0.000 1.081 269 F CA -0.661 57.389 58.000 0.083 0.000 1.088 269 F CB 0.486 39.508 39.000 0.035 0.000 1.327 269 F HN 0.601 nan 8.300 nan 0.000 0.522 270 G N 3.042 111.886 108.800 0.072 0.000 2.389 270 G HA2 0.609 4.569 3.960 -0.000 0.000 0.328 270 G HA3 0.609 4.569 3.960 -0.000 0.000 0.328 270 G C -1.430 173.549 174.900 0.131 0.000 1.133 270 G CA -0.789 44.238 45.100 -0.122 0.000 0.891 270 G HN 0.961 nan 8.290 nan 0.000 0.485 271 F N 0.822 120.806 119.950 0.057 0.000 2.483 271 F HA 0.858 5.385 4.527 -0.000 0.000 0.329 271 F C -1.101 174.718 175.800 0.033 0.000 1.064 271 F CA -2.274 55.823 58.000 0.162 0.000 0.986 271 F CB 1.949 41.057 39.000 0.180 0.000 1.218 271 F HN 0.419 nan 8.300 nan 0.000 0.484 272 L N 2.792 124.213 121.223 0.330 0.000 2.528 272 L HA 0.824 5.164 4.340 -0.000 0.000 0.267 272 L C -1.373 175.621 176.870 0.207 0.000 0.961 272 L CA -0.991 53.943 54.840 0.157 0.000 0.866 272 L CB 0.869 42.939 42.059 0.020 0.000 1.248 272 L HN 1.128 nan 8.230 nan 0.000 0.404 273 A N 3.017 125.972 122.820 0.226 0.000 2.354 273 A HA 0.976 5.296 4.320 -0.000 0.000 0.321 273 A C -0.351 177.302 177.584 0.115 0.000 1.125 273 A CA 0.013 52.131 52.037 0.135 0.000 0.799 273 A CB 1.876 20.940 19.000 0.107 0.000 1.293 273 A HN 0.834 nan 8.150 nan 0.000 0.452 274 T N -0.444 114.171 114.554 0.102 0.000 2.658 274 T HA 0.450 4.799 4.350 -0.000 0.000 0.306 274 T C -1.360 173.416 174.700 0.127 0.000 1.544 274 T CA -0.540 61.652 62.100 0.153 0.000 0.991 274 T CB 0.760 69.748 68.868 0.199 0.000 1.774 274 T HN 0.595 nan 8.240 nan 0.000 0.479 275 K N 1.821 122.328 120.400 0.178 0.000 2.270 275 K HA 0.367 4.687 4.320 -0.000 0.000 0.276 275 K C 1.033 177.581 176.600 -0.087 0.000 1.023 275 K CA -0.103 56.165 56.287 -0.032 0.000 0.955 275 K CB 0.784 33.104 32.500 -0.301 0.000 0.975 275 K HN 0.526 nan 8.250 nan 0.000 0.471 276 K N 1.976 122.311 120.400 -0.109 0.000 2.362 276 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 276 K C 1.204 177.712 176.600 -0.152 0.000 1.046 276 K CA 1.172 57.407 56.287 -0.086 0.000 0.952 276 K CB 0.067 32.528 32.500 -0.065 0.000 0.753 276 K HN 0.641 nan 8.250 nan 0.000 0.466 277 A N 0.114 122.743 122.820 -0.319 0.000 2.067 277 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 277 A C 1.047 178.386 177.584 -0.409 0.000 1.158 277 A CA 0.853 52.631 52.037 -0.433 0.000 0.661 277 A CB -0.258 18.355 19.000 -0.645 0.000 0.801 277 A HN 0.313 nan 8.150 nan 0.000 0.452 278 F N -1.923 118.009 119.950 -0.031 0.000 2.653 278 F HA 0.176 4.703 4.527 -0.000 0.000 0.304 278 F C 1.808 177.576 175.800 -0.053 0.000 1.092 278 F CA -0.535 57.440 58.000 -0.042 0.000 1.279 278 F CB -0.539 38.450 39.000 -0.020 0.000 1.044 278 F HN 0.056 nan 8.300 nan 0.000 0.564 279 V N 0.939 120.894 119.914 0.068 0.000 2.370 279 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 279 V C 2.745 178.840 176.094 0.002 0.000 1.068 279 V CA 2.155 64.477 62.300 0.037 0.000 1.061 279 V CB -0.214 31.615 31.823 0.010 0.000 0.656 279 V HN 0.258 nan 8.190 nan 0.000 0.455 280 R N -0.103 120.355 120.500 -0.070 0.000 2.159 280 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 280 R C 2.064 178.262 176.300 -0.171 0.000 1.131 280 R CA 1.820 57.782 56.100 -0.231 0.000 0.982 280 R CB -0.338 29.668 30.300 -0.490 0.000 0.868 280 R HN 0.608 nan 8.270 nan 0.000 0.453 281 Q N -0.865 118.907 119.800 -0.047 0.000 2.217 281 Q HA 0.225 4.565 4.340 -0.000 0.000 0.217 281 Q C -0.869 175.149 176.000 0.031 0.000 0.844 281 Q CA -0.152 55.655 55.803 0.006 0.000 0.957 281 Q CB 0.350 29.090 28.738 0.003 0.000 1.127 281 Q HN 0.180 nan 8.270 nan 0.000 0.503 282 L N 3.032 124.279 121.223 0.041 0.000 2.477 282 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 282 L C -2.297 174.595 176.870 0.037 0.000 1.157 282 L CA -1.351 53.514 54.840 0.041 0.000 0.889 282 L CB 0.392 42.483 42.059 0.053 0.000 1.158 282 L HN 0.056 nan 8.230 nan 0.000 0.473 283 P HA 0.458 nan 4.420 nan 0.000 0.278 283 P C -0.046 177.257 177.300 0.006 0.000 1.266 283 P CA 0.256 63.364 63.100 0.014 0.000 0.807 283 P CB 1.134 32.829 31.700 -0.009 0.000 1.094 284 G N 0.550 109.351 108.800 0.001 0.000 2.681 284 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 284 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 284 G C -0.643 174.269 174.900 0.020 0.000 1.353 284 G CA -0.760 44.333 45.100 -0.012 0.000 0.872 284 G HN 0.683 nan 8.290 nan 0.000 0.557 285 R N -0.800 119.706 120.500 0.010 0.000 2.490 285 R HA 0.616 4.956 4.340 -0.000 0.000 0.278 285 R C -0.086 176.245 176.300 0.051 0.000 1.069 285 R CA -0.343 55.774 56.100 0.029 0.000 1.080 285 R CB 0.934 31.230 30.300 -0.006 0.000 1.030 285 R HN 0.525 nan 8.270 nan 0.000 0.491 286 L N 2.130 123.395 121.223 0.071 0.000 2.470 286 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 286 L C -1.113 175.827 176.870 0.117 0.000 0.964 286 L CA -0.910 53.986 54.840 0.092 0.000 0.839 286 L CB 2.459 44.571 42.059 0.088 0.000 1.276 286 L HN 0.264 nan 8.230 nan 0.000 0.403 287 V N 2.497 122.505 119.914 0.158 0.000 2.459 287 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 287 V C -0.025 176.260 176.094 0.320 0.000 1.029 287 V CA -0.350 62.081 62.300 0.219 0.000 0.874 287 V CB 1.862 33.828 31.823 0.239 0.000 0.985 287 V HN 0.773 nan 8.190 nan 0.000 0.438 288 S N 3.028 118.890 115.700 0.270 0.000 2.566 288 S HA 0.545 5.015 4.470 -0.000 0.000 0.298 288 S C -0.584 174.106 174.600 0.150 0.000 1.083 288 S CA -0.635 57.717 58.200 0.254 0.000 0.978 288 S CB 1.767 65.053 63.200 0.143 0.000 1.073 288 S HN 0.868 nan 8.310 nan 0.000 0.491 289 E N 1.055 121.257 120.200 0.003 0.000 2.349 289 E HA 0.525 4.875 4.350 -0.000 0.000 0.265 289 E C -0.128 176.306 176.600 -0.276 0.000 1.064 289 E CA -0.200 55.972 56.400 -0.381 0.000 0.886 289 E CB 1.253 30.684 29.700 -0.449 0.000 1.036 289 E HN 0.671 nan 8.360 nan 0.000 0.413 290 T N 1.201 115.515 114.554 -0.399 0.000 2.644 290 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 290 T C -1.823 172.721 174.700 -0.260 0.000 1.332 290 T CA -0.353 61.606 62.100 -0.235 0.000 1.077 290 T CB 0.984 69.766 68.868 -0.143 0.000 1.799 290 T HN 0.285 nan 8.240 nan 0.000 0.451 291 V N 2.013 121.824 119.914 -0.172 0.000 3.120 291 V HA 0.536 4.656 4.120 -0.000 0.000 0.303 291 V C -1.358 174.675 176.094 -0.102 0.000 1.238 291 V CA -0.510 61.702 62.300 -0.147 0.000 1.008 291 V CB 2.294 34.051 31.823 -0.110 0.000 1.064 291 V HN 1.103 nan 8.190 nan 0.000 0.434 292 D N 1.913 122.261 120.400 -0.087 0.000 2.466 292 D HA 0.193 4.833 4.640 -0.000 0.000 0.262 292 D C 1.254 177.528 176.300 -0.043 0.000 1.177 292 D CA -0.124 53.841 54.000 -0.058 0.000 1.035 292 D CB 1.302 42.073 40.800 -0.049 0.000 1.105 292 D HN 0.229 nan 8.370 nan 0.000 0.551 293 V N -0.255 119.641 119.914 -0.031 0.000 2.527 293 V HA -0.251 3.869 4.120 -0.000 0.000 0.255 293 V C 1.516 177.595 176.094 -0.024 0.000 1.081 293 V CA 2.256 64.542 62.300 -0.024 0.000 1.092 293 V CB -0.564 31.249 31.823 -0.017 0.000 0.673 293 V HN 0.573 nan 8.190 nan 0.000 0.470 294 E N -1.207 118.977 120.200 -0.027 0.000 2.481 294 E HA 0.304 4.654 4.350 -0.000 0.000 0.198 294 E C 1.304 177.885 176.600 -0.031 0.000 1.027 294 E CA 0.510 56.895 56.400 -0.025 0.000 0.900 294 E CB 0.549 30.237 29.700 -0.021 0.000 0.993 294 E HN 0.697 nan 8.360 nan 0.000 0.482 295 G N 2.255 111.031 108.800 -0.040 0.000 2.141 295 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.231 295 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.231 295 G C 0.068 174.932 174.900 -0.060 0.000 0.984 295 G CA -0.321 44.750 45.100 -0.049 0.000 0.660 295 G HN 0.120 nan 8.290 nan 0.000 0.525 296 R N 0.085 120.547 120.500 -0.063 0.000 2.490 296 R HA 0.429 4.769 4.340 -0.000 0.000 0.280 296 R C 0.927 177.156 176.300 -0.118 0.000 1.077 296 R CA -0.641 55.416 56.100 -0.070 0.000 1.065 296 R CB 0.785 31.053 30.300 -0.053 0.000 1.003 296 R HN 0.351 nan 8.270 nan 0.000 0.470 297 R N 1.016 121.433 120.500 -0.139 0.000 2.522 297 R HA 0.133 4.473 4.340 -0.000 0.000 0.284 297 R C -0.356 175.743 176.300 -0.336 0.000 1.032 297 R CA 0.481 56.428 56.100 -0.255 0.000 1.049 297 R CB 0.452 30.620 30.300 -0.221 0.000 0.956 297 R HN 0.828 nan 8.270 nan 0.000 0.422 298 G N 2.523 110.996 108.800 -0.545 0.000 2.694 298 G HA2 0.613 4.573 3.960 -0.000 0.000 0.290 298 G HA3 0.613 4.573 3.960 -0.000 0.000 0.290 298 G C -1.791 172.564 174.900 -0.909 0.000 1.386 298 G CA -0.696 44.102 45.100 -0.505 0.000 0.872 298 G HN 0.419 nan 8.290 nan 0.000 0.475 299 F N -0.333 119.561 119.950 -0.094 0.000 2.565 299 F HA 0.771 5.298 4.527 -0.000 0.000 0.313 299 F C 0.004 175.784 175.800 -0.032 0.000 1.091 299 F CA -0.824 57.115 58.000 -0.101 0.000 0.915 299 F CB 2.615 41.552 39.000 -0.106 0.000 1.208 299 F HN 0.411 nan 8.300 nan 0.000 0.453 300 I N 2.493 123.154 120.570 0.152 0.000 2.918 300 I HA 0.357 4.527 4.170 -0.000 0.000 0.301 300 I C -1.635 174.554 176.117 0.120 0.000 1.312 300 I CA -0.956 60.409 61.300 0.109 0.000 1.007 300 I CB 1.558 39.591 38.000 0.056 0.000 1.281 300 I HN 0.257 nan 8.210 nan 0.000 0.440 301 L N 4.239 125.527 121.223 0.108 0.000 2.453 301 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 301 L C 0.382 177.315 176.870 0.105 0.000 1.182 301 L CA 0.881 55.785 54.840 0.108 0.000 0.858 301 L CB 0.368 42.498 42.059 0.117 0.000 1.120 301 L HN 0.699 nan 8.230 nan 0.000 0.474 302 T N 2.889 117.505 114.554 0.103 0.000 2.831 302 T HA 0.544 4.894 4.350 -0.000 0.000 0.287 302 T C 0.190 174.943 174.700 0.089 0.000 1.070 302 T CA -0.628 61.527 62.100 0.091 0.000 1.010 302 T CB 0.731 69.653 68.868 0.090 0.000 1.264 302 T HN 0.489 nan 8.240 nan 0.000 0.532 303 L N 1.744 123.016 121.223 0.082 0.000 3.762 303 L HA -0.212 4.128 4.340 -0.000 0.000 0.460 303 L C 1.076 178.002 176.870 0.094 0.000 1.255 303 L CA 0.221 55.113 54.840 0.087 0.000 0.783 303 L CB -1.074 41.036 42.059 0.084 0.000 1.600 303 L HN 0.733 nan 8.230 nan 0.000 0.862 304 Q N 0.072 119.923 119.800 0.086 0.000 2.488 304 Q HA 0.013 4.353 4.340 -0.000 0.000 0.211 304 Q C 2.207 178.258 176.000 0.085 0.000 0.967 304 Q CA 1.113 56.965 55.803 0.083 0.000 0.926 304 Q CB 0.117 28.897 28.738 0.069 0.000 0.992 304 Q HN 0.743 nan 8.270 nan 0.000 0.506 305 A N 0.491 123.370 122.820 0.099 0.000 2.121 305 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 305 A C 1.729 179.423 177.584 0.183 0.000 1.154 305 A CA 0.793 52.896 52.037 0.110 0.000 0.679 305 A CB -0.185 18.892 19.000 0.128 0.000 0.795 305 A HN 0.242 nan 8.150 nan 0.000 0.458 306 R N -0.103 120.516 120.500 0.199 0.000 2.127 306 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 306 R C 1.736 178.151 176.300 0.191 0.000 1.134 306 R CA 1.282 57.524 56.100 0.237 0.000 0.975 306 R CB -0.213 30.171 30.300 0.139 0.000 0.865 306 R HN 0.538 nan 8.270 nan 0.000 0.447 307 E N 0.637 120.909 120.200 0.120 0.000 2.130 307 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 307 E C 1.947 178.587 176.600 0.068 0.000 0.998 307 E CA 1.346 57.796 56.400 0.084 0.000 0.806 307 E CB 0.015 29.750 29.700 0.060 0.000 0.738 307 E HN 0.311 nan 8.360 nan 0.000 0.459 308 Q N -0.285 119.538 119.800 0.039 0.000 2.016 308 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 308 Q C 2.015 178.003 176.000 -0.019 0.000 0.978 308 Q CA 1.198 56.978 55.803 -0.039 0.000 0.833 308 Q CB -0.699 27.950 28.738 -0.148 0.000 0.895 308 Q HN 0.396 nan 8.270 nan 0.000 0.427 309 Y N 0.158 120.475 120.300 0.028 0.000 2.207 309 Y HA -0.177 4.373 4.550 -0.000 0.000 0.287 309 Y C 1.997 177.914 175.900 0.027 0.000 1.156 309 Y CA 1.079 59.197 58.100 0.030 0.000 1.182 309 Y CB -0.361 38.121 38.460 0.037 0.000 0.979 309 Y HN 0.099 nan 8.280 nan 0.000 0.521 310 I N -0.446 120.239 120.570 0.193 0.000 2.493 310 I HA -0.258 3.912 4.170 -0.000 0.000 0.254 310 I C 1.587 177.751 176.117 0.079 0.000 1.160 310 I CA 1.436 62.805 61.300 0.115 0.000 1.445 310 I CB -0.282 37.774 38.000 0.092 0.000 1.086 310 I HN 0.130 nan 8.210 nan 0.000 0.433 311 R N 0.622 121.161 120.500 0.065 0.000 2.432 311 R HA 0.119 4.459 4.340 -0.000 0.000 0.260 311 R C 1.944 178.261 176.300 0.030 0.000 0.935 311 R CA -0.168 55.956 56.100 0.041 0.000 1.080 311 R CB 0.072 30.390 30.300 0.030 0.000 1.155 311 R HN 0.391 nan 8.270 nan 0.000 0.531 312 R N 0.042 120.565 120.500 0.037 0.000 2.193 312 R HA 0.068 4.408 4.340 -0.000 0.000 0.229 312 R C 0.874 177.191 176.300 0.028 0.000 1.110 312 R CA 1.398 57.512 56.100 0.023 0.000 0.988 312 R CB 0.026 30.346 30.300 0.034 0.000 0.871 312 R HN 0.113 nan 8.270 nan 0.000 0.458 313 A N 0.392 123.233 122.820 0.035 0.000 2.493 313 A HA 0.416 4.736 4.320 -0.000 0.000 0.165 313 A C -0.989 176.611 177.584 0.028 0.000 1.265 313 A CA -0.637 51.417 52.037 0.030 0.000 2.312 313 A CB 0.340 19.361 19.000 0.034 0.000 2.748 313 A HN 0.070 nan 8.150 nan 0.000 1.115 314 K N -0.659 119.757 120.400 0.027 0.000 2.179 314 K HA 0.658 4.978 4.320 -0.000 0.000 0.238 314 K C 0.528 177.144 176.600 0.027 0.000 1.033 314 K CA 0.499 56.800 56.287 0.024 0.000 0.926 314 K CB 0.339 32.850 32.500 0.020 0.000 1.151 314 K HN 1.858 nan 8.250 nan 0.000 0.492 315 A N 0.412 123.248 122.820 0.026 0.000 2.624 315 A HA -0.274 4.046 4.320 -0.000 0.000 0.302 315 A C -0.083 177.524 177.584 0.038 0.000 1.504 315 A CA 1.603 53.659 52.037 0.031 0.000 0.804 315 A CB -2.080 16.932 19.000 0.020 0.000 1.020 315 A HN 0.541 nan 8.150 nan 0.000 0.444 316 K N -0.086 120.339 120.400 0.041 0.000 2.168 316 K HA 0.606 4.926 4.320 -0.000 0.000 0.258 316 K C 0.395 177.031 176.600 0.061 0.000 1.010 316 K CA 0.132 56.448 56.287 0.047 0.000 0.929 316 K CB 0.847 33.373 32.500 0.042 0.000 0.998 316 K HN 0.917 nan 8.250 nan 0.000 0.479 317 S N -0.251 115.488 115.700 0.064 0.000 2.751 317 S HA 0.361 4.831 4.470 -0.000 0.000 0.310 317 S C -0.354 174.292 174.600 0.076 0.000 1.128 317 S CA -0.797 57.453 58.200 0.083 0.000 0.931 317 S CB 1.290 64.531 63.200 0.069 0.000 1.177 317 S HN 0.863 nan 8.310 nan 0.000 0.530 318 N N -0.444 118.312 118.700 0.092 0.000 2.498 318 N HA 0.195 4.935 4.740 -0.000 0.000 0.272 318 N C -1.172 174.401 175.510 0.106 0.000 1.534 318 N CA -0.248 52.853 53.050 0.085 0.000 0.873 318 N CB 0.110 38.640 38.487 0.072 0.000 1.415 318 N HN 0.790 nan 8.380 nan 0.000 0.496 319 I N 1.775 122.400 120.570 0.091 0.000 2.494 319 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 319 I C 1.213 177.375 176.117 0.076 0.000 1.106 319 I CA 0.443 61.790 61.300 0.079 0.000 1.369 319 I CB 0.659 38.622 38.000 -0.062 0.000 1.410 319 I HN 0.365 nan 8.210 nan 0.000 0.523 320 T N 1.701 116.340 114.554 0.141 0.000 3.051 320 T HA 0.091 4.441 4.350 -0.000 0.000 0.255 320 T C 0.842 175.623 174.700 0.135 0.000 1.085 320 T CA 0.487 62.668 62.100 0.135 0.000 1.109 320 T CB 0.123 69.081 68.868 0.150 0.000 0.921 320 T HN 0.617 nan 8.240 nan 0.000 0.488 321 T N 1.205 115.858 114.554 0.166 0.000 2.669 321 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 321 T C -1.373 173.343 174.700 0.026 0.000 1.019 321 T CA -0.643 61.535 62.100 0.130 0.000 1.039 321 T CB 1.713 70.705 68.868 0.206 0.000 1.374 321 T HN 0.491 nan 8.240 nan 0.000 0.523 322 N N -0.132 118.595 118.700 0.046 0.000 3.566 322 N HA 0.594 5.334 4.740 -0.000 0.000 0.354 322 N C -1.214 174.358 175.510 0.104 0.000 1.632 322 N CA -0.383 52.631 53.050 -0.059 0.000 0.690 322 N CB 0.834 39.252 38.487 -0.115 0.000 2.273 322 N HN 0.671 nan 8.380 nan 0.000 0.643 323 A N -0.034 122.796 122.820 0.016 0.000 3.214 323 A HA 0.234 4.554 4.320 -0.000 0.000 0.304 323 A C 0.929 178.433 177.584 -0.134 0.000 0.969 323 A CA -0.441 51.620 52.037 0.039 0.000 0.986 323 A CB 0.163 19.251 19.000 0.146 0.000 1.073 323 A HN 0.455 nan 8.150 nan 0.000 0.487 324 Q N 0.050 119.754 119.800 -0.159 0.000 1.978 324 Q HA -0.256 4.084 4.340 -0.000 0.000 0.211 324 Q C 1.877 177.710 176.000 -0.279 0.000 1.013 324 Q CA 2.255 57.910 55.803 -0.246 0.000 0.869 324 Q CB -0.423 28.213 28.738 -0.171 0.000 0.953 324 Q HN 0.740 nan 8.270 nan 0.000 0.415 325 L N 0.133 121.254 121.223 -0.169 0.000 1.990 325 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 325 L C 2.462 179.209 176.870 -0.204 0.000 1.072 325 L CA 2.722 57.467 54.840 -0.158 0.000 0.755 325 L CB -1.259 40.760 42.059 -0.066 0.000 0.889 325 L HN 0.377 nan 8.230 nan 0.000 0.432 326 T N -1.532 112.926 114.554 -0.160 0.000 2.867 326 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 326 T C 1.822 176.263 174.700 -0.433 0.000 1.057 326 T CA 1.202 63.228 62.100 -0.124 0.000 1.136 326 T CB -0.252 68.656 68.868 0.067 0.000 0.874 326 T HN 0.511 nan 8.240 nan 0.000 0.466 327 A N 0.853 123.191 122.820 -0.804 0.000 1.902 327 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 327 A C 2.316 179.310 177.584 -0.983 0.000 1.181 327 A CA 1.265 52.324 52.037 -1.629 0.000 0.623 327 A CB -0.908 17.188 19.000 -1.507 0.000 0.818 327 A HN 0.560 nan 8.150 nan 0.000 0.443 328 L N -1.050 119.790 121.223 -0.637 0.000 2.083 328 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 328 L C 2.824 179.516 176.870 -0.297 0.000 1.083 328 L CA 1.555 56.131 54.840 -0.439 0.000 0.752 328 L CB -0.252 41.537 42.059 -0.450 0.000 0.899 328 L HN 0.442 nan 8.230 nan 0.000 0.433 329 M N -1.408 118.044 119.600 -0.246 0.000 2.159 329 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 329 M C 2.209 178.503 176.300 -0.010 0.000 1.063 329 M CA 1.766 57.002 55.300 -0.106 0.000 1.110 329 M CB -0.828 31.734 32.600 -0.062 0.000 1.374 329 M HN 0.378 nan 8.290 nan 0.000 0.411 330 G N 0.045 108.830 108.800 -0.026 0.000 2.421 330 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 330 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 330 G C 1.630 176.638 174.900 0.179 0.000 1.171 330 G CA 1.017 46.237 45.100 0.200 0.000 0.775 330 G HN 0.534 nan 8.290 nan 0.000 0.543 331 A N 0.788 123.655 122.820 0.078 0.000 1.883 331 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 331 A C 2.486 180.092 177.584 0.038 0.000 1.186 331 A CA 2.042 54.126 52.037 0.079 0.000 0.624 331 A CB -0.430 18.601 19.000 0.050 0.000 0.822 331 A HN 0.391 nan 8.150 nan 0.000 0.444 332 M N -2.427 117.174 119.600 0.002 0.000 2.213 332 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 332 M C 2.198 178.535 176.300 0.062 0.000 1.062 332 M CA 1.827 57.128 55.300 0.002 0.000 1.105 332 M CB -0.450 32.132 32.600 -0.029 0.000 1.385 332 M HN 0.622 nan 8.290 nan 0.000 0.417 333 Y N 1.062 121.354 120.300 -0.013 0.000 2.133 333 Y HA -0.224 4.326 4.550 -0.000 0.000 0.287 333 Y C 1.961 177.865 175.900 0.006 0.000 1.134 333 Y CA 1.470 59.573 58.100 0.004 0.000 1.133 333 Y CB -0.196 38.277 38.460 0.022 0.000 0.987 333 Y HN -0.014 nan 8.280 nan 0.000 0.502 334 L N 0.347 121.641 121.223 0.119 0.000 2.079 334 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 334 L C 2.622 179.455 176.870 -0.062 0.000 1.081 334 L CA 2.018 56.865 54.840 0.012 0.000 0.752 334 L CB -1.738 40.352 42.059 0.051 0.000 0.896 334 L HN 0.398 nan 8.230 nan 0.000 0.433 335 A N -1.170 121.626 122.820 -0.041 0.000 1.929 335 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 335 A C 2.458 180.000 177.584 -0.069 0.000 1.176 335 A CA 1.325 53.333 52.037 -0.048 0.000 0.628 335 A CB -0.683 18.299 19.000 -0.030 0.000 0.816 335 A HN 0.361 nan 8.150 nan 0.000 0.444 336 A N -0.782 121.982 122.820 -0.093 0.000 1.969 336 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 336 A C 1.970 179.464 177.584 -0.150 0.000 1.169 336 A CA 1.431 53.405 52.037 -0.106 0.000 0.635 336 A CB -0.271 18.668 19.000 -0.103 0.000 0.810 336 A HN 0.378 nan 8.150 nan 0.000 0.445 337 L N -1.905 119.176 121.223 -0.238 0.000 2.298 337 L HA 0.230 4.570 4.340 -0.000 0.000 0.209 337 L C 1.523 178.318 176.870 -0.125 0.000 1.084 337 L CA 1.637 56.344 54.840 -0.221 0.000 0.816 337 L CB -1.896 39.944 42.059 -0.365 0.000 0.967 337 L HN 0.620 nan 8.230 nan 0.000 0.460 338 G N 0.563 109.299 108.800 -0.106 0.000 2.796 338 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 338 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 338 G C -1.673 173.195 174.900 -0.055 0.000 1.381 338 G CA -0.057 45.004 45.100 -0.066 0.000 0.867 338 G HN 0.139 nan 8.290 nan 0.000 0.552 339 P HA -0.055 nan 4.420 nan 0.000 0.215 339 P C 1.309 178.599 177.300 -0.017 0.000 1.157 339 P CA 1.966 65.050 63.100 -0.027 0.000 0.859 339 P CB 0.138 31.824 31.700 -0.024 0.000 0.786 340 E N 0.433 120.621 120.200 -0.019 0.000 2.152 340 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 340 E C 2.280 178.872 176.600 -0.013 0.000 0.983 340 E CA 1.607 58.001 56.400 -0.011 0.000 0.818 340 E CB -1.367 28.326 29.700 -0.011 0.000 0.758 340 E HN 0.198 nan 8.360 nan 0.000 0.467 341 G N 0.580 109.361 108.800 -0.031 0.000 2.402 341 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 341 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 341 G C 1.502 176.383 174.900 -0.031 0.000 1.162 341 G CA 0.834 45.909 45.100 -0.042 0.000 0.777 341 G HN 0.346 nan 8.290 nan 0.000 0.539 342 L N 0.588 121.792 121.223 -0.032 0.000 2.056 342 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 342 L C 2.763 179.663 176.870 0.051 0.000 1.078 342 L CA 2.044 56.891 54.840 0.012 0.000 0.749 342 L CB -0.497 41.572 42.059 0.016 0.000 0.901 342 L HN 0.250 nan 8.230 nan 0.000 0.433 343 R N -0.428 120.094 120.500 0.037 0.000 2.091 343 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 343 R C 2.085 178.416 176.300 0.052 0.000 1.136 343 R CA 1.901 58.033 56.100 0.054 0.000 0.959 343 R CB -0.231 30.090 30.300 0.035 0.000 0.856 343 R HN 0.536 nan 8.270 nan 0.000 0.437 344 E N -0.209 120.010 120.200 0.033 0.000 2.051 344 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 344 E C 2.037 178.663 176.600 0.044 0.000 0.991 344 E CA 1.612 58.029 56.400 0.028 0.000 0.799 344 E CB -0.045 29.665 29.700 0.016 0.000 0.748 344 E HN 0.168 nan 8.360 nan 0.000 0.449 345 V N 1.559 121.511 119.914 0.063 0.000 2.392 345 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 345 V C 2.320 178.480 176.094 0.110 0.000 1.059 345 V CA 1.867 64.228 62.300 0.101 0.000 1.051 345 V CB -0.770 31.138 31.823 0.141 0.000 0.658 345 V HN 0.321 nan 8.190 nan 0.000 0.455 346 A N -0.125 122.763 122.820 0.113 0.000 1.855 346 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 346 A C 2.213 179.800 177.584 0.005 0.000 1.191 346 A CA 1.731 53.846 52.037 0.131 0.000 0.613 346 A CB -0.577 18.566 19.000 0.239 0.000 0.829 346 A HN 0.472 nan 8.150 nan 0.000 0.442 347 L N -0.675 120.556 121.223 0.014 0.000 2.042 347 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 347 L C 2.646 179.474 176.870 -0.070 0.000 1.076 347 L CA 1.902 56.714 54.840 -0.047 0.000 0.749 347 L CB -0.456 41.595 42.059 -0.012 0.000 0.893 347 L HN 0.396 nan 8.230 nan 0.000 0.432 348 K N 0.886 121.276 120.400 -0.016 0.000 2.026 348 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 348 K C 2.268 178.870 176.600 0.004 0.000 1.048 348 K CA 2.132 58.420 56.287 0.001 0.000 0.929 348 K CB -0.553 31.966 32.500 0.032 0.000 0.713 348 K HN 0.335 nan 8.250 nan 0.000 0.439 349 S N -0.490 115.220 115.700 0.018 0.000 2.399 349 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 349 S C 2.038 176.617 174.600 -0.036 0.000 1.022 349 S CA 1.272 59.496 58.200 0.040 0.000 0.983 349 S CB -0.675 62.587 63.200 0.104 0.000 0.803 349 S HN 0.070 nan 8.310 nan 0.000 0.480 350 V N 2.250 122.045 119.914 -0.198 0.000 2.323 350 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 350 V C 2.831 178.747 176.094 -0.297 0.000 1.041 350 V CA 2.073 64.166 62.300 -0.346 0.000 1.025 350 V CB -0.855 30.632 31.823 -0.560 0.000 0.656 350 V HN 0.647 nan 8.190 nan 0.000 0.451 351 E N -0.155 119.914 120.200 -0.218 0.000 2.058 351 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 351 E C 2.283 178.888 176.600 0.009 0.000 0.997 351 E CA 1.675 57.989 56.400 -0.144 0.000 0.801 351 E CB -0.093 29.564 29.700 -0.073 0.000 0.746 351 E HN 0.343 nan 8.360 nan 0.000 0.450 352 M N 0.522 120.162 119.600 0.066 0.000 2.159 352 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 352 M C 2.398 178.837 176.300 0.232 0.000 1.063 352 M CA 1.495 56.885 55.300 0.150 0.000 1.110 352 M CB -1.347 31.363 32.600 0.184 0.000 1.374 352 M HN 0.261 nan 8.290 nan 0.000 0.411 353 A N -0.431 122.557 122.820 0.280 0.000 1.877 353 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 353 A C 2.023 179.967 177.584 0.601 0.000 1.186 353 A CA 1.599 53.931 52.037 0.491 0.000 0.620 353 A CB -1.202 18.110 19.000 0.520 0.000 0.822 353 A HN 0.614 nan 8.150 nan 0.000 0.443 354 H N -0.622 118.604 119.070 0.261 0.000 2.389 354 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 354 H C 2.073 177.475 175.328 0.122 0.000 1.081 354 H CA 1.292 57.444 56.048 0.174 0.000 1.345 354 H CB 0.051 29.817 29.762 0.006 0.000 1.393 354 H HN 0.468 nan 8.280 nan 0.000 0.520 355 K N 0.516 121.054 120.400 0.230 0.000 2.026 355 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 355 K C 2.200 178.855 176.600 0.092 0.000 1.048 355 K CA 0.826 57.190 56.287 0.127 0.000 0.929 355 K CB -0.142 32.417 32.500 0.099 0.000 0.713 355 K HN 0.044 nan 8.250 nan 0.000 0.439 356 L N 1.254 122.560 121.223 0.138 0.000 2.012 356 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 356 L C 2.445 179.306 176.870 -0.016 0.000 1.073 356 L CA 1.894 56.778 54.840 0.074 0.000 0.748 356 L CB -0.739 41.428 42.059 0.180 0.000 0.891 356 L HN 0.337 nan 8.230 nan 0.000 0.431 357 H N -0.417 118.534 119.070 -0.199 0.000 2.387 357 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 357 H C 1.844 176.957 175.328 -0.358 0.000 1.099 357 H CA 1.624 57.251 56.048 -0.701 0.000 1.315 357 H CB 0.205 29.294 29.762 -1.123 0.000 1.380 357 H HN 0.488 nan 8.280 nan 0.000 0.513 358 A N 1.277 124.047 122.820 -0.083 0.000 1.873 358 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 358 A C 2.921 180.408 177.584 -0.162 0.000 1.186 358 A CA 1.103 53.086 52.037 -0.090 0.000 0.616 358 A CB -0.785 18.216 19.000 0.002 0.000 0.823 358 A HN 0.396 nan 8.150 nan 0.000 0.442 359 L N -1.078 120.061 121.223 -0.141 0.000 1.976 359 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 359 L C 2.472 179.215 176.870 -0.212 0.000 1.071 359 L CA 1.002 55.751 54.840 -0.150 0.000 0.746 359 L CB -0.725 41.255 42.059 -0.131 0.000 0.890 359 L HN 0.271 nan 8.230 nan 0.000 0.432 360 L N -0.601 120.451 121.223 -0.285 0.000 2.081 360 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 360 L C 2.329 179.018 176.870 -0.303 0.000 1.080 360 L CA 1.488 56.126 54.840 -0.338 0.000 0.754 360 L CB -0.826 40.949 42.059 -0.473 0.000 0.893 360 L HN 0.158 nan 8.230 nan 0.000 0.433 361 L N -0.725 120.286 121.223 -0.355 0.000 2.353 361 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 361 L C 2.287 179.044 176.870 -0.189 0.000 1.133 361 L CA 1.398 56.055 54.840 -0.305 0.000 0.798 361 L CB -0.614 41.217 42.059 -0.380 0.000 0.922 361 L HN 0.397 nan 8.230 nan 0.000 0.445 362 E N -1.579 118.521 120.200 -0.168 0.000 2.371 362 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 362 E C 0.465 177.001 176.600 -0.106 0.000 1.012 362 E CA -0.109 56.220 56.400 -0.119 0.000 0.860 362 E CB 0.249 29.886 29.700 -0.105 0.000 0.811 362 E HN 0.181 nan 8.360 nan 0.000 0.502 363 V N 4.643 124.482 119.914 -0.124 0.000 2.585 363 V HA 0.037 4.157 4.120 -0.000 0.000 0.296 363 V C -1.927 174.118 176.094 -0.082 0.000 1.035 363 V CA -1.277 60.960 62.300 -0.105 0.000 1.084 363 V CB 0.180 31.930 31.823 -0.122 0.000 0.953 363 V HN 0.074 nan 8.190 nan 0.000 0.483 364 P HA 0.196 nan 4.420 nan 0.000 0.267 364 P C 0.859 178.134 177.300 -0.041 0.000 1.205 364 P CA 1.143 64.215 63.100 -0.048 0.000 0.765 364 P CB 1.037 32.714 31.700 -0.039 0.000 0.828 365 G N 2.042 110.821 108.800 -0.034 0.000 2.279 365 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.223 365 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.223 365 G C -0.056 174.831 174.900 -0.022 0.000 1.015 365 G CA -0.122 44.965 45.100 -0.023 0.000 0.621 365 G HN 0.532 nan 8.290 nan 0.000 0.506 366 V N 2.539 122.428 119.914 -0.042 0.000 2.470 366 V HA 0.525 4.645 4.120 -0.000 0.000 0.276 366 V C 0.767 176.832 176.094 -0.048 0.000 1.040 366 V CA 0.354 62.624 62.300 -0.049 0.000 1.008 366 V CB 1.140 32.902 31.823 -0.101 0.000 0.990 366 V HN 0.573 nan 8.190 nan 0.000 0.477 367 R N 7.764 128.258 120.500 -0.010 0.000 2.599 367 R HA 0.523 4.863 4.340 -0.000 0.000 0.295 367 R C -2.685 173.639 176.300 0.041 0.000 0.963 367 R CA -2.026 54.079 56.100 0.008 0.000 0.883 367 R CB 2.582 32.907 30.300 0.042 0.000 1.171 367 R HN 0.454 nan 8.270 nan 0.000 0.450 368 P HA 0.041 nan 4.420 nan 0.000 0.271 368 P C -0.823 176.587 177.300 0.184 0.000 1.233 368 P CA 0.111 63.258 63.100 0.077 0.000 0.789 368 P CB 0.673 32.414 31.700 0.068 0.000 0.951 369 F N -1.258 118.726 119.950 0.056 0.000 1.890 369 F HA 0.137 4.664 4.527 -0.000 0.000 0.261 369 F C 0.452 176.286 175.800 0.057 0.000 1.066 369 F CA 0.293 58.325 58.000 0.053 0.000 1.235 369 F CB -0.135 38.895 39.000 0.050 0.000 1.548 369 F HN 0.058 nan 8.300 nan 0.000 0.593 370 T N 5.466 120.165 114.554 0.242 0.000 2.867 370 T HA 0.194 4.544 4.350 -0.000 0.000 0.297 370 T C -2.431 172.316 174.700 0.078 0.000 0.989 370 T CA -0.625 61.550 62.100 0.125 0.000 1.159 370 T CB 0.610 69.516 68.868 0.064 0.000 0.928 370 T HN 0.071 nan 8.240 nan 0.000 0.538 371 P HA 0.352 nan 4.420 nan 0.000 0.279 371 P C -0.621 176.783 177.300 0.174 0.000 1.252 371 P CA -0.804 62.342 63.100 0.076 0.000 0.811 371 P CB 1.156 32.863 31.700 0.011 0.000 1.035 372 K N 1.659 122.118 120.400 0.099 0.000 2.144 372 K HA 0.399 4.719 4.320 -0.000 0.000 0.270 372 K C -1.695 174.902 176.600 -0.005 0.000 1.005 372 K CA -1.493 54.789 56.287 -0.008 0.000 0.932 372 K CB -0.016 32.400 32.500 -0.140 0.000 1.021 372 K HN 0.471 nan 8.250 nan 0.000 0.462 373 P HA 0.217 nan 4.420 nan 0.000 0.282 373 P C -1.196 176.124 177.300 0.034 0.000 1.249 373 P CA -0.406 62.634 63.100 -0.099 0.000 0.806 373 P CB 0.515 32.198 31.700 -0.030 0.000 0.984 374 F N -0.164 119.811 119.950 0.042 0.000 2.611 374 F HA 0.576 5.103 4.527 -0.000 0.000 0.324 374 F C 0.157 176.149 175.800 0.319 0.000 1.061 374 F CA -1.326 56.751 58.000 0.128 0.000 0.954 374 F CB 0.151 39.183 39.000 0.052 0.000 1.301 374 F HN 0.164 nan 8.300 nan 0.000 0.482 375 F N 1.545 121.778 119.950 0.471 0.000 2.435 375 F HA 0.227 4.754 4.527 -0.000 0.000 0.233 375 F C 1.760 177.847 175.800 0.478 0.000 1.206 375 F CA 1.051 59.276 58.000 0.375 0.000 0.972 375 F CB -0.078 39.061 39.000 0.232 0.000 1.024 375 F HN 0.612 nan 8.300 nan 0.000 0.623 376 N N 0.018 118.847 118.700 0.215 0.000 2.204 376 N HA 0.104 4.844 4.740 -0.000 0.000 0.219 376 N C -0.888 174.752 175.510 0.216 0.000 1.151 376 N CA 0.159 53.283 53.050 0.125 0.000 0.867 376 N CB 0.355 38.809 38.487 -0.055 0.000 1.043 376 N HN 0.466 nan 8.380 nan 0.000 0.516 377 E N 0.106 120.453 120.200 0.244 0.000 2.367 377 E HA 0.534 4.884 4.350 -0.000 0.000 0.273 377 E C -1.519 175.056 176.600 -0.041 0.000 0.903 377 E CA -0.847 55.544 56.400 -0.016 0.000 0.764 377 E CB 2.181 31.846 29.700 -0.058 0.000 1.252 377 E HN 0.185 nan 8.360 nan 0.000 0.446 378 F N -1.010 118.833 119.950 -0.177 0.000 2.719 378 F HA 0.770 5.297 4.527 -0.000 0.000 0.309 378 F C -1.704 174.007 175.800 -0.148 0.000 1.138 378 F CA -1.186 56.608 58.000 -0.344 0.000 0.943 378 F CB 0.714 39.203 39.000 -0.852 0.000 1.304 378 F HN 0.432 nan 8.300 nan 0.000 0.445 379 A N 2.703 125.612 122.820 0.147 0.000 2.350 379 A HA 0.917 5.237 4.320 -0.000 0.000 0.324 379 A C -1.519 176.242 177.584 0.295 0.000 1.118 379 A CA -0.847 51.267 52.037 0.129 0.000 0.783 379 A CB 1.269 20.253 19.000 -0.026 0.000 1.236 379 A HN 0.851 nan 8.150 nan 0.000 0.457 380 L N 1.043 122.428 121.223 0.270 0.000 2.371 380 L HA 0.729 5.069 4.340 -0.000 0.000 0.262 380 L C 0.282 177.230 176.870 0.131 0.000 1.006 380 L CA -0.955 54.021 54.840 0.227 0.000 0.818 380 L CB 2.241 44.426 42.059 0.210 0.000 1.354 380 L HN 0.788 nan 8.230 nan 0.000 0.415 381 A N 3.187 126.076 122.820 0.116 0.000 2.276 381 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 381 A C -0.525 177.090 177.584 0.050 0.000 1.235 381 A CA -0.335 51.739 52.037 0.061 0.000 0.867 381 A CB 0.157 19.220 19.000 0.105 0.000 1.137 381 A HN 0.593 nan 8.150 nan 0.000 0.527 382 L N 4.112 125.357 121.223 0.036 0.000 2.344 382 L HA 0.445 4.785 4.340 -0.000 0.000 0.272 382 L C -1.251 175.629 176.870 0.016 0.000 1.035 382 L CA -1.943 52.917 54.840 0.033 0.000 0.807 382 L CB 1.797 43.886 42.059 0.050 0.000 1.237 382 L HN 0.554 nan 8.230 nan 0.000 0.442 383 P HA 0.034 nan 4.420 nan 0.000 0.245 383 P C -0.309 176.993 177.300 0.003 0.000 1.212 383 P CA 0.800 63.902 63.100 0.003 0.000 0.774 383 P CB 0.457 32.154 31.700 -0.004 0.000 0.999 384 K N -0.432 119.972 120.400 0.006 0.000 2.469 384 K HA 0.271 4.591 4.320 -0.000 0.000 0.268 384 K C -1.066 175.536 176.600 0.003 0.000 1.027 384 K CA -0.898 55.392 56.287 0.004 0.000 0.893 384 K CB 0.919 33.422 32.500 0.004 0.000 1.460 384 K HN -0.298 nan 8.250 nan 0.000 0.449 385 D N 2.584 122.985 120.400 0.001 0.000 2.434 385 D HA 0.009 4.649 4.640 -0.000 0.000 0.252 385 D C -1.331 174.967 176.300 -0.004 0.000 1.185 385 D CA -1.542 52.457 54.000 -0.002 0.000 0.886 385 D CB 0.926 41.725 40.800 -0.000 0.000 1.148 385 D HN 0.108 nan 8.370 nan 0.000 0.483 386 P HA -0.248 nan 4.420 nan 0.000 0.216 386 P C 0.855 178.142 177.300 -0.021 0.000 1.157 386 P CA 1.457 64.541 63.100 -0.026 0.000 0.880 386 P CB 0.233 31.902 31.700 -0.052 0.000 0.791 387 E N -0.110 120.082 120.200 -0.013 0.000 2.085 387 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 387 E C 2.289 178.894 176.600 0.009 0.000 0.994 387 E CA 1.323 57.723 56.400 -0.000 0.000 0.801 387 E CB -0.496 29.206 29.700 0.005 0.000 0.743 387 E HN 0.236 nan 8.360 nan 0.000 0.453 388 A N 0.863 123.688 122.820 0.008 0.000 1.898 388 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 388 A C 2.498 180.091 177.584 0.015 0.000 1.181 388 A CA 1.045 53.090 52.037 0.012 0.000 0.620 388 A CB -0.546 18.459 19.000 0.009 0.000 0.819 388 A HN 0.108 nan 8.150 nan 0.000 0.442 389 V N 0.103 120.025 119.914 0.013 0.000 2.343 389 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 389 V C 2.646 178.756 176.094 0.027 0.000 1.051 389 V CA 2.269 64.581 62.300 0.020 0.000 1.036 389 V CB -0.809 31.030 31.823 0.027 0.000 0.654 389 V HN 0.669 nan 8.190 nan 0.000 0.451 390 R N 0.016 120.527 120.500 0.018 0.000 2.096 390 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 390 R C 2.528 178.861 176.300 0.054 0.000 1.127 390 R CA 1.849 57.969 56.100 0.034 0.000 0.968 390 R CB -0.254 30.058 30.300 0.020 0.000 0.861 390 R HN 0.442 nan 8.270 nan 0.000 0.440 391 R N -0.003 120.522 120.500 0.042 0.000 2.062 391 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 391 R C 2.161 178.486 176.300 0.041 0.000 1.136 391 R CA 1.548 57.674 56.100 0.044 0.000 0.948 391 R CB -0.385 29.935 30.300 0.034 0.000 0.845 391 R HN 0.289 nan 8.270 nan 0.000 0.430 392 A N 1.127 123.968 122.820 0.034 0.000 1.917 392 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 392 A C 2.042 179.652 177.584 0.045 0.000 1.182 392 A CA 1.239 53.294 52.037 0.031 0.000 0.633 392 A CB -0.557 18.454 19.000 0.019 0.000 0.819 392 A HN 0.305 nan 8.150 nan 0.000 0.448 393 L N -0.551 120.705 121.223 0.054 0.000 2.017 393 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 393 L C 2.989 179.932 176.870 0.123 0.000 1.073 393 L CA 1.927 56.821 54.840 0.090 0.000 0.745 393 L CB -1.193 40.926 42.059 0.100 0.000 0.894 393 L HN 0.406 nan 8.230 nan 0.000 0.432 394 A N -0.847 122.015 122.820 0.069 0.000 1.940 394 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 394 A C 2.115 179.704 177.584 0.008 0.000 1.176 394 A CA 1.653 53.690 52.037 0.000 0.000 0.631 394 A CB -0.527 18.489 19.000 0.027 0.000 0.814 394 A HN 0.560 nan 8.150 nan 0.000 0.446 395 E N -0.645 119.578 120.200 0.038 0.000 2.338 395 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 395 E C 1.858 178.491 176.600 0.056 0.000 1.007 395 E CA 0.798 57.220 56.400 0.036 0.000 0.849 395 E CB -0.113 29.608 29.700 0.035 0.000 0.774 395 E HN 0.563 nan 8.360 nan 0.000 0.506 396 R N -0.716 119.848 120.500 0.106 0.000 2.300 396 R HA 0.094 4.434 4.340 -0.000 0.000 0.199 396 R C 1.072 177.494 176.300 0.204 0.000 0.920 396 R CA 0.519 56.729 56.100 0.182 0.000 1.046 396 R CB 0.793 31.235 30.300 0.237 0.000 0.984 396 R HN 0.226 nan 8.270 nan 0.000 0.493 397 G N 0.091 108.932 108.800 0.069 0.000 2.163 397 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.213 397 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.213 397 G C -0.172 174.527 174.900 -0.336 0.000 0.991 397 G CA -0.558 44.452 45.100 -0.150 0.000 0.653 397 G HN 0.140 nan 8.290 nan 0.000 0.518 398 F N 0.985 120.882 119.950 -0.089 0.000 2.492 398 F HA 0.672 5.199 4.527 -0.000 0.000 0.327 398 F C 0.494 176.245 175.800 -0.082 0.000 1.079 398 F CA -1.022 56.968 58.000 -0.016 0.000 0.967 398 F CB 1.435 40.478 39.000 0.072 0.000 1.169 398 F HN -0.014 nan 8.300 nan 0.000 0.472 399 H N 1.651 120.920 119.070 0.331 0.000 2.691 399 H HA 0.588 5.144 4.556 -0.000 0.000 0.281 399 H C 0.137 175.626 175.328 0.269 0.000 1.121 399 H CA -0.462 55.722 56.048 0.226 0.000 1.254 399 H CB 0.897 30.748 29.762 0.149 0.000 1.390 399 H HN 0.807 nan 8.280 nan 0.000 0.491 400 G N 0.104 109.078 108.800 0.290 0.000 2.721 400 G HA2 0.484 4.444 3.960 -0.000 0.000 0.296 400 G HA3 0.484 4.444 3.960 -0.000 0.000 0.296 400 G C -0.694 174.153 174.900 -0.087 0.000 1.383 400 G CA -0.295 44.903 45.100 0.162 0.000 0.788 400 G HN 0.550 nan 8.290 nan 0.000 0.500 401 A N -0.602 121.887 122.820 -0.551 0.000 2.546 401 A HA 0.117 4.437 4.320 -0.000 0.000 0.295 401 A C 0.660 177.999 177.584 -0.410 0.000 1.455 401 A CA 1.299 52.916 52.037 -0.701 0.000 0.730 401 A CB -2.151 16.715 19.000 -0.223 0.000 1.111 401 A HN 2.404 nan 8.150 nan 0.000 0.411 402 T N 1.990 116.277 114.554 -0.445 0.000 2.799 402 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 402 T C -1.467 173.102 174.700 -0.218 0.000 0.947 402 T CA -0.867 61.088 62.100 -0.241 0.000 1.141 402 T CB 0.359 69.103 68.868 -0.206 0.000 0.891 402 T HN 0.601 nan 8.240 nan 0.000 0.533 403 P HA 0.139 nan 4.420 nan 0.000 0.268 403 P C -0.726 176.552 177.300 -0.037 0.000 1.204 403 P CA -0.222 62.833 63.100 -0.076 0.000 0.768 403 P CB 0.618 32.298 31.700 -0.033 0.000 0.842 404 V N 6.066 125.957 119.914 -0.038 0.000 2.435 404 V HA 0.287 4.407 4.120 -0.000 0.000 0.290 404 V C -1.697 174.444 176.094 0.079 0.000 1.030 404 V CA -2.063 60.261 62.300 0.041 0.000 0.881 404 V CB 1.142 32.931 31.823 -0.058 0.000 0.983 404 V HN 0.576 nan 8.190 nan 0.000 0.445 405 P HA 0.068 nan 4.420 nan 0.000 0.266 405 P C 0.671 178.025 177.300 0.091 0.000 1.195 405 P CA -0.301 62.856 63.100 0.095 0.000 0.768 405 P CB 0.543 32.285 31.700 0.070 0.000 0.838 406 R N 2.594 123.108 120.500 0.024 0.000 2.226 406 R HA -0.228 4.112 4.340 -0.000 0.000 0.246 406 R C 1.652 177.947 176.300 -0.010 0.000 1.161 406 R CA 1.965 58.067 56.100 0.003 0.000 0.997 406 R CB -1.008 29.286 30.300 -0.009 0.000 0.870 406 R HN 0.551 nan 8.270 nan 0.000 0.465 407 E N 0.272 120.443 120.200 -0.049 0.000 2.267 407 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 407 E C 0.902 177.390 176.600 -0.186 0.000 0.998 407 E CA 1.119 57.429 56.400 -0.149 0.000 0.830 407 E CB -0.326 29.215 29.700 -0.264 0.000 0.751 407 E HN 0.599 nan 8.360 nan 0.000 0.491 408 Y N 0.712 120.999 120.300 -0.023 0.000 2.503 408 Y HA 0.316 4.866 4.550 -0.000 0.000 0.278 408 Y C 1.231 177.100 175.900 -0.051 0.000 1.111 408 Y CA 0.737 58.837 58.100 -0.000 0.000 1.270 408 Y CB 1.257 39.716 38.460 -0.003 0.000 1.063 408 Y HN 0.262 nan 8.280 nan 0.000 0.548 409 G N -0.462 108.356 108.800 0.030 0.000 2.356 409 G HA2 0.167 4.127 3.960 -0.000 0.000 0.300 409 G HA3 0.167 4.127 3.960 -0.000 0.000 0.300 409 G C -1.850 173.001 174.900 -0.082 0.000 1.331 409 G CA -1.145 43.925 45.100 -0.051 0.000 0.905 409 G HN -0.172 nan 8.290 nan 0.000 0.587 410 E N 0.551 120.714 120.200 -0.062 0.000 2.266 410 E HA 0.543 4.893 4.350 -0.000 0.000 0.277 410 E C 0.600 177.158 176.600 -0.069 0.000 1.018 410 E CA -0.182 56.191 56.400 -0.045 0.000 0.840 410 E CB 0.521 30.217 29.700 -0.007 0.000 1.082 410 E HN 0.487 nan 8.360 nan 0.000 0.395 411 N N 2.064 120.734 118.700 -0.051 0.000 2.714 411 N HA -0.223 4.517 4.740 -0.000 0.000 0.252 411 N C -1.162 174.305 175.510 -0.072 0.000 1.014 411 N CA 0.767 53.790 53.050 -0.044 0.000 0.735 411 N CB -1.197 37.279 38.487 -0.019 0.000 0.924 411 N HN 0.404 nan 8.380 nan 0.000 0.540 412 L N -0.226 120.924 121.223 -0.121 0.000 2.295 412 L HA 0.728 5.068 4.340 -0.000 0.000 0.285 412 L C 0.644 177.436 176.870 -0.131 0.000 1.035 412 L CA -0.660 54.078 54.840 -0.170 0.000 0.806 412 L CB 1.683 43.541 42.059 -0.335 0.000 1.214 412 L HN 0.198 nan 8.230 nan 0.000 0.426 413 A N 4.349 127.104 122.820 -0.109 0.000 2.386 413 A HA 0.810 5.130 4.320 -0.000 0.000 0.311 413 A C -0.968 176.448 177.584 -0.280 0.000 1.068 413 A CA -0.538 51.374 52.037 -0.207 0.000 0.743 413 A CB 1.394 20.268 19.000 -0.210 0.000 1.258 413 A HN 0.636 nan 8.150 nan 0.000 0.429 414 L N 1.176 122.119 121.223 -0.466 0.000 2.334 414 L HA 0.674 5.014 4.340 -0.000 0.000 0.275 414 L C -1.188 175.228 176.870 -0.756 0.000 1.036 414 L CA -0.329 54.216 54.840 -0.491 0.000 0.807 414 L CB 1.367 43.130 42.059 -0.493 0.000 1.231 414 L HN 0.700 nan 8.230 nan 0.000 0.438 415 F N 1.071 120.673 119.950 -0.581 0.000 2.565 415 F HA 0.761 5.288 4.527 -0.000 0.000 0.313 415 F C 0.061 175.480 175.800 -0.635 0.000 1.091 415 F CA -0.584 57.072 58.000 -0.573 0.000 0.915 415 F CB 2.105 40.707 39.000 -0.663 0.000 1.208 415 F HN 0.401 nan 8.300 nan 0.000 0.453 416 A N 1.381 124.163 122.820 -0.063 0.000 2.475 416 A HA 0.972 5.292 4.320 -0.000 0.000 0.301 416 A C -1.594 176.100 177.584 0.184 0.000 1.059 416 A CA -0.589 51.444 52.037 -0.008 0.000 0.710 416 A CB 1.504 20.491 19.000 -0.022 0.000 1.288 416 A HN 1.100 nan 8.150 nan 0.000 0.408 417 A N 0.450 123.387 122.820 0.194 0.000 2.413 417 A HA 0.968 5.288 4.320 -0.000 0.000 0.307 417 A C 0.047 177.765 177.584 0.224 0.000 1.087 417 A CA 0.088 52.313 52.037 0.313 0.000 0.750 417 A CB 1.374 20.557 19.000 0.305 0.000 1.296 417 A HN 2.071 nan 8.150 nan 0.000 0.423 418 T N -1.956 112.752 114.554 0.257 0.000 2.831 418 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 418 T C 0.705 175.415 174.700 0.016 0.000 1.070 418 T CA 0.162 62.236 62.100 -0.042 0.000 1.010 418 T CB 1.329 69.952 68.868 -0.409 0.000 1.264 418 T HN 0.728 nan 8.240 nan 0.000 0.532 419 E N 0.928 121.162 120.200 0.057 0.000 2.401 419 E HA -0.103 4.247 4.350 -0.000 0.000 0.199 419 E C 1.387 177.988 176.600 0.001 0.000 1.023 419 E CA 1.022 57.460 56.400 0.063 0.000 0.859 419 E CB -0.699 29.069 29.700 0.113 0.000 0.780 419 E HN 0.687 nan 8.360 nan 0.000 0.523 420 L N -1.664 119.497 121.223 -0.103 0.000 2.653 420 L HA 0.426 4.766 4.340 -0.000 0.000 0.231 420 L C 0.096 176.856 176.870 -0.183 0.000 1.153 420 L CA -0.509 54.244 54.840 -0.144 0.000 0.933 420 L CB -0.980 40.979 42.059 -0.167 0.000 1.175 420 L HN -0.131 nan 8.230 nan 0.000 0.473 421 H N 0.658 119.702 119.070 -0.044 0.000 2.489 421 H HA 0.551 5.107 4.556 -0.000 0.000 0.322 421 H C -0.365 174.997 175.328 0.055 0.000 1.091 421 H CA -0.401 55.641 56.048 -0.010 0.000 1.291 421 H CB 1.133 30.906 29.762 0.019 0.000 1.436 421 H HN 0.334 nan 8.280 nan 0.000 0.480 422 E N 1.729 122.063 120.200 0.223 0.000 2.249 422 E HA 0.100 4.450 4.350 -0.000 0.000 0.263 422 E C 0.453 177.149 176.600 0.160 0.000 0.950 422 E CA -0.733 55.758 56.400 0.152 0.000 0.827 422 E CB 1.778 31.544 29.700 0.109 0.000 1.220 422 E HN 0.685 nan 8.360 nan 0.000 0.411 423 E N 1.114 121.383 120.200 0.114 0.000 2.097 423 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 423 E C 1.707 178.365 176.600 0.096 0.000 1.000 423 E CA 1.321 57.778 56.400 0.095 0.000 0.804 423 E CB 0.087 29.825 29.700 0.064 0.000 0.740 423 E HN 0.560 nan 8.360 nan 0.000 0.454 424 E N 0.872 121.132 120.200 0.100 0.000 2.118 424 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 424 E C 1.414 178.102 176.600 0.147 0.000 0.992 424 E CA 1.308 57.770 56.400 0.102 0.000 0.804 424 E CB 0.107 29.864 29.700 0.095 0.000 0.741 424 E HN 0.197 nan 8.360 nan 0.000 0.458 425 D N 0.569 121.091 120.400 0.203 0.000 2.144 425 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 425 D C 2.207 178.685 176.300 0.297 0.000 0.978 425 D CA 0.772 54.966 54.000 0.322 0.000 0.833 425 D CB -0.135 40.919 40.800 0.422 0.000 0.961 425 D HN 0.312 nan 8.370 nan 0.000 0.470 426 L N 0.151 121.484 121.223 0.183 0.000 2.046 426 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 426 L C 2.372 179.198 176.870 -0.073 0.000 1.077 426 L CA 0.549 55.391 54.840 0.003 0.000 0.747 426 L CB -0.420 41.658 42.059 0.031 0.000 0.896 426 L HN 0.050 nan 8.230 nan 0.000 0.432 427 L N 0.249 121.468 121.223 -0.006 0.000 2.093 427 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 427 L C 2.802 179.645 176.870 -0.045 0.000 1.085 427 L CA 1.947 56.768 54.840 -0.032 0.000 0.755 427 L CB -1.307 40.755 42.059 0.005 0.000 0.904 427 L HN 0.163 nan 8.230 nan 0.000 0.435 428 A N -0.845 121.997 122.820 0.037 0.000 1.877 428 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 428 A C 2.266 179.722 177.584 -0.215 0.000 1.186 428 A CA 1.799 53.881 52.037 0.074 0.000 0.620 428 A CB -0.891 18.328 19.000 0.366 0.000 0.822 428 A HN 0.345 nan 8.150 nan 0.000 0.443 429 L N -0.255 120.838 121.223 -0.216 0.000 2.012 429 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 429 L C 2.458 179.038 176.870 -0.483 0.000 1.073 429 L CA 2.296 56.817 54.840 -0.531 0.000 0.748 429 L CB -0.614 41.075 42.059 -0.617 0.000 0.891 429 L HN 0.371 nan 8.230 nan 0.000 0.431 430 R N -0.365 119.926 120.500 -0.349 0.000 2.091 430 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 430 R C 2.168 178.321 176.300 -0.244 0.000 1.136 430 R CA 1.561 57.491 56.100 -0.283 0.000 0.959 430 R CB -0.407 29.761 30.300 -0.220 0.000 0.856 430 R HN 0.458 nan 8.270 nan 0.000 0.437 431 E N 0.255 120.318 120.200 -0.228 0.000 2.051 431 E HA -0.125 4.224 4.350 -0.000 0.000 0.192 431 E C 1.840 178.304 176.600 -0.227 0.000 0.991 431 E CA 1.434 57.725 56.400 -0.182 0.000 0.799 431 E CB -0.351 29.272 29.700 -0.128 0.000 0.748 431 E HN 0.379 nan 8.360 nan 0.000 0.449 432 A N 0.941 123.528 122.820 -0.390 0.000 1.883 432 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 432 A C 2.298 179.728 177.584 -0.257 0.000 1.186 432 A CA 1.584 53.375 52.037 -0.410 0.000 0.624 432 A CB -0.749 17.717 19.000 -0.891 0.000 0.822 432 A HN 0.286 nan 8.150 nan 0.000 0.444 433 L N -0.121 120.945 121.223 -0.261 0.000 2.046 433 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 433 L C 2.322 179.119 176.870 -0.123 0.000 1.077 433 L CA 2.618 57.364 54.840 -0.158 0.000 0.747 433 L CB -0.533 41.424 42.059 -0.170 0.000 0.896 433 L HN 0.475 nan 8.230 nan 0.000 0.432 434 K N -0.584 119.733 120.400 -0.138 0.000 2.063 434 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 434 K C 2.003 178.556 176.600 -0.079 0.000 1.048 434 K CA 1.915 58.140 56.287 -0.103 0.000 0.928 434 K CB -0.113 32.325 32.500 -0.104 0.000 0.713 434 K HN 0.474 nan 8.250 nan 0.000 0.442 435 E N -0.091 120.058 120.200 -0.085 0.000 2.051 435 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 435 E C 1.986 178.560 176.600 -0.044 0.000 0.991 435 E CA 1.609 57.974 56.400 -0.059 0.000 0.799 435 E CB -0.040 29.625 29.700 -0.058 0.000 0.748 435 E HN 0.355 nan 8.360 nan 0.000 0.449 436 V N -0.298 119.588 119.914 -0.047 0.000 2.515 436 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 436 V C 1.137 177.217 176.094 -0.023 0.000 1.058 436 V CA 0.615 62.899 62.300 -0.027 0.000 1.064 436 V CB -0.325 31.486 31.823 -0.020 0.000 0.675 436 V HN -0.041 nan 8.190 nan 0.000 0.461 437 L N 0.000 121.204 121.223 -0.032 0.000 2.949 437 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 437 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 437 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502