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 2vlb_1_A DATA FIRST_RESID 6 DATA SEQUENCE TPTIGMIVPP AAGLVPADGA RLYPDLPFIA SGLGLGSVTP EGYDAVIESV DATA SEQUENCE VDHARRLQKQ GAAVVSLMGT SLSFYRGAAF NAALTVAMRE ATGLPCTTMS DATA SEQUENCE TAVLNGLRAL GVRRVALATA YIDDVNERLA AFLAEESLVP TGCRSLGITG DATA SEQUENCE VEAMARVDTA TLVDLCVRAF EAAPDSDGIL LSCGGLLTLD AIPEVERRLG DATA SEQUENCE VPVVSSSPAG FWDAVRLAGG GAKARPGYGR LFDES 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.644 174.700 -0.094 0.000 1.109 6 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 6 T CB 0.000 68.828 68.868 -0.066 0.000 0.612 7 P HA 0.388 nan 4.420 nan 0.000 0.271 7 P C -0.309 176.889 177.300 -0.169 0.000 1.216 7 P CA -0.179 62.849 63.100 -0.121 0.000 0.771 7 P CB 0.546 32.176 31.700 -0.118 0.000 0.864 8 T N 3.076 117.542 114.554 -0.146 0.000 2.851 8 T HA 0.308 4.657 4.350 -0.000 0.000 0.298 8 T C 0.546 175.136 174.700 -0.184 0.000 0.977 8 T CA -0.010 61.988 62.100 -0.170 0.000 1.126 8 T CB 0.052 68.858 68.868 -0.103 0.000 0.916 8 T HN 0.222 nan 8.240 nan 0.000 0.529 9 I N 2.688 123.101 120.570 -0.261 0.000 2.321 9 I HA 0.440 4.609 4.170 -0.000 0.000 0.291 9 I C 0.966 177.061 176.117 -0.036 0.000 0.998 9 I CA -0.462 60.730 61.300 -0.179 0.000 1.227 9 I CB 1.256 39.094 38.000 -0.271 0.000 1.368 9 I HN 0.665 nan 8.210 nan 0.000 0.466 10 G N 7.000 115.781 108.800 -0.032 0.000 2.356 10 G HA2 0.730 4.690 3.960 -0.000 0.000 0.322 10 G HA3 0.730 4.690 3.960 -0.000 0.000 0.322 10 G C -0.696 174.191 174.900 -0.022 0.000 1.125 10 G CA -0.579 44.516 45.100 -0.008 0.000 0.885 10 G HN 0.460 nan 8.290 nan 0.000 0.467 11 M N 1.864 121.454 119.600 -0.018 0.000 2.326 11 M HA 0.397 4.877 4.480 -0.000 0.000 0.306 11 M C -0.685 175.596 176.300 -0.032 0.000 1.054 11 M CA -0.484 54.780 55.300 -0.059 0.000 0.922 11 M CB 2.824 35.350 32.600 -0.123 0.000 1.632 11 M HN 0.265 nan 8.290 nan 0.000 0.436 12 I N 4.001 124.547 120.570 -0.040 0.000 2.325 12 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 12 I C -0.187 175.896 176.117 -0.057 0.000 1.019 12 I CA -0.887 60.392 61.300 -0.035 0.000 1.302 12 I CB 0.894 38.877 38.000 -0.028 0.000 1.401 12 I HN 0.424 nan 8.210 nan 0.000 0.485 13 V N 4.168 124.046 119.914 -0.059 0.000 2.815 13 V HA 0.509 4.629 4.120 -0.000 0.000 0.314 13 V C -2.326 173.719 176.094 -0.080 0.000 1.064 13 V CA -1.812 60.453 62.300 -0.059 0.000 0.952 13 V CB 1.529 33.330 31.823 -0.036 0.000 1.020 13 V HN 0.406 nan 8.190 nan 0.000 0.439 14 P HA 0.037 nan 4.420 nan 0.000 0.214 14 P C -2.217 175.039 177.300 -0.074 0.000 1.163 14 P CA 1.382 64.434 63.100 -0.081 0.000 0.883 14 P CB -1.341 30.315 31.700 -0.073 0.000 0.788 15 P HA 0.104 nan 4.420 nan 0.000 0.278 15 P C 0.499 177.777 177.300 -0.036 0.000 1.238 15 P CA 0.182 63.257 63.100 -0.041 0.000 0.794 15 P CB 0.451 32.133 31.700 -0.030 0.000 0.955 16 A N 3.371 126.176 122.820 -0.025 0.000 1.940 16 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 16 A C 2.138 179.727 177.584 0.008 0.000 1.176 16 A CA 2.205 54.238 52.037 -0.006 0.000 0.631 16 A CB -1.716 17.288 19.000 0.006 0.000 0.814 16 A HN 0.566 nan 8.150 nan 0.000 0.446 17 A N -1.199 121.623 122.820 0.004 0.000 1.986 17 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 17 A C 2.157 179.750 177.584 0.015 0.000 1.171 17 A CA 1.792 53.834 52.037 0.009 0.000 0.640 17 A CB -1.396 17.606 19.000 0.004 0.000 0.811 17 A HN 2.102 nan 8.150 nan 0.000 0.451 18 G N -1.297 107.508 108.800 0.009 0.000 2.295 18 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.287 18 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.287 18 G C -0.044 174.869 174.900 0.023 0.000 1.055 18 G CA 0.416 45.526 45.100 0.017 0.000 0.922 18 G HN 0.561 nan 8.290 nan 0.000 0.503 19 L N -0.460 120.773 121.223 0.017 0.000 2.395 19 L HA 0.415 4.755 4.340 -0.000 0.000 0.269 19 L C 1.238 178.129 176.870 0.034 0.000 1.133 19 L CA -1.106 53.749 54.840 0.025 0.000 0.812 19 L CB 1.208 43.277 42.059 0.017 0.000 1.125 19 L HN -0.047 nan 8.230 nan 0.000 0.452 20 V N 3.409 123.354 119.914 0.052 0.000 2.529 20 V HA 0.054 4.174 4.120 -0.000 0.000 0.292 20 V C -1.793 174.349 176.094 0.080 0.000 1.028 20 V CA -1.077 61.269 62.300 0.076 0.000 1.074 20 V CB 0.300 32.188 31.823 0.108 0.000 0.958 20 V HN 0.649 nan 8.190 nan 0.000 0.481 21 P HA 0.096 nan 4.420 nan 0.000 0.264 21 P C 0.570 177.861 177.300 -0.015 0.000 1.193 21 P CA 0.169 63.330 63.100 0.101 0.000 0.763 21 P CB 0.779 32.606 31.700 0.212 0.000 0.810 22 A N 3.157 125.931 122.820 -0.078 0.000 1.933 22 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 22 A C 1.284 178.702 177.584 -0.276 0.000 1.175 22 A CA 1.260 53.207 52.037 -0.150 0.000 0.628 22 A CB -0.924 18.018 19.000 -0.096 0.000 0.814 22 A HN 0.525 nan 8.150 nan 0.000 0.444 23 D N -0.979 119.274 120.400 -0.245 0.000 2.600 23 D HA 0.405 5.044 4.640 -0.000 0.000 0.226 23 D C 0.853 176.834 176.300 -0.532 0.000 1.119 23 D CA 1.134 54.956 54.000 -0.296 0.000 1.051 23 D CB -0.511 40.201 40.800 -0.146 0.000 1.106 23 D HN 0.354 nan 8.370 nan 0.000 0.491 24 G N 1.046 109.315 108.800 -0.885 0.000 3.768 24 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 24 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 24 G C 1.333 175.252 174.900 -1.635 0.000 1.058 24 G CA 0.269 44.465 45.100 -1.508 0.000 0.890 24 G HN 0.467 nan 8.290 nan 0.000 0.393 25 A N 1.207 123.154 122.820 -1.455 0.000 1.948 25 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 25 A C 2.178 179.535 177.584 -0.379 0.000 1.177 25 A CA 2.230 53.828 52.037 -0.732 0.000 0.636 25 A CB -0.550 18.230 19.000 -0.367 0.000 0.815 25 A HN 0.460 nan 8.150 nan 0.000 0.449 26 R N -0.666 119.583 120.500 -0.419 0.000 2.200 26 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 26 R C 1.786 177.874 176.300 -0.353 0.000 1.127 26 R CA 1.138 57.054 56.100 -0.305 0.000 0.989 26 R CB -0.488 29.615 30.300 -0.329 0.000 0.869 26 R HN 0.531 nan 8.270 nan 0.000 0.459 27 L N -0.799 120.090 121.223 -0.557 0.000 2.217 27 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 27 L C 0.321 176.764 176.870 -0.712 0.000 1.107 27 L CA 0.977 55.368 54.840 -0.748 0.000 0.783 27 L CB 0.151 41.570 42.059 -1.067 0.000 0.919 27 L HN 0.164 nan 8.230 nan 0.000 0.442 28 Y N -1.438 118.848 120.300 -0.023 0.000 2.477 28 Y HA 0.245 4.795 4.550 -0.000 0.000 0.340 28 Y C -1.653 174.356 175.900 0.181 0.000 0.987 28 Y CA -2.257 55.932 58.100 0.150 0.000 1.127 28 Y CB 0.010 38.694 38.460 0.374 0.000 1.139 28 Y HN -0.051 nan 8.280 nan 0.000 0.637 29 P HA -0.089 nan 4.420 nan 0.000 0.223 29 P C 0.325 177.714 177.300 0.148 0.000 1.151 29 P CA 1.404 64.586 63.100 0.136 0.000 0.787 29 P CB 0.589 32.329 31.700 0.067 0.000 0.788 30 D N -0.680 119.810 120.400 0.150 0.000 2.349 30 D HA 0.148 4.788 4.640 -0.000 0.000 0.214 30 D C 0.720 177.062 176.300 0.070 0.000 1.063 30 D CA 0.229 54.288 54.000 0.099 0.000 0.847 30 D CB 0.353 41.201 40.800 0.079 0.000 0.933 30 D HN 0.255 nan 8.370 nan 0.000 0.513 31 L N 2.036 123.315 121.223 0.093 0.000 2.325 31 L HA 0.385 4.725 4.340 -0.000 0.000 0.278 31 L C -2.273 174.475 176.870 -0.202 0.000 1.023 31 L CA -1.894 52.882 54.840 -0.107 0.000 0.811 31 L CB 1.637 43.545 42.059 -0.251 0.000 1.249 31 L HN -0.285 nan 8.230 nan 0.000 0.431 32 P HA 0.342 nan 4.420 nan 0.000 0.293 32 P C -1.236 175.830 177.300 -0.389 0.000 1.313 32 P CA -0.109 62.874 63.100 -0.194 0.000 0.787 32 P CB 0.481 32.109 31.700 -0.120 0.000 0.910 33 F N 3.514 123.484 119.950 0.033 0.000 2.480 33 F HA 0.572 5.099 4.527 -0.000 0.000 0.329 33 F C 0.877 176.685 175.800 0.014 0.000 1.091 33 F CA -0.914 57.099 58.000 0.022 0.000 0.972 33 F CB 1.646 40.695 39.000 0.083 0.000 1.150 33 F HN 0.224 nan 8.300 nan 0.000 0.467 34 I N 0.173 120.840 120.570 0.163 0.000 2.934 34 I HA 1.017 5.187 4.170 -0.000 0.000 0.306 34 I C -1.250 174.916 176.117 0.082 0.000 1.110 34 I CA -1.057 60.303 61.300 0.100 0.000 1.019 34 I CB 2.207 40.236 38.000 0.048 0.000 1.227 34 I HN 0.619 nan 8.210 nan 0.000 0.434 35 A N 2.486 125.343 122.820 0.062 0.000 2.498 35 A HA 0.823 5.143 4.320 -0.000 0.000 0.298 35 A C -1.065 176.548 177.584 0.049 0.000 1.075 35 A CA -0.625 51.438 52.037 0.043 0.000 0.714 35 A CB 1.975 20.996 19.000 0.035 0.000 1.299 35 A HN 0.736 nan 8.150 nan 0.000 0.407 36 S N -0.169 115.565 115.700 0.056 0.000 2.557 36 S HA 0.676 5.146 4.470 -0.000 0.000 0.291 36 S C -0.073 174.570 174.600 0.071 0.000 1.116 36 S CA 0.128 58.397 58.200 0.114 0.000 0.992 36 S CB 1.192 64.505 63.200 0.188 0.000 1.028 36 S HN 1.661 nan 8.310 nan 0.000 0.484 37 G N 3.444 112.278 108.800 0.056 0.000 2.348 37 G HA2 0.503 4.463 3.960 -0.000 0.000 0.312 37 G HA3 0.503 4.463 3.960 -0.000 0.000 0.312 37 G C 0.616 175.377 174.900 -0.232 0.000 1.126 37 G CA -0.659 44.406 45.100 -0.059 0.000 0.865 37 G HN 0.751 nan 8.290 nan 0.000 0.474 38 L N 2.310 123.331 121.223 -0.337 0.000 2.095 38 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 38 L C 2.370 179.119 176.870 -0.201 0.000 1.080 38 L CA 0.889 55.451 54.840 -0.463 0.000 0.759 38 L CB -0.316 41.560 42.059 -0.305 0.000 0.914 38 L HN 0.816 nan 8.230 nan 0.000 0.439 39 G N 0.967 109.701 108.800 -0.110 0.000 2.225 39 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.267 39 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.267 39 G C 0.212 175.087 174.900 -0.041 0.000 1.024 39 G CA 0.055 45.124 45.100 -0.051 0.000 0.784 39 G HN 0.206 nan 8.290 nan 0.000 0.507 40 L N 0.194 121.384 121.223 -0.055 0.000 2.436 40 L HA 0.549 4.889 4.340 -0.000 0.000 0.265 40 L C 1.600 178.457 176.870 -0.023 0.000 1.168 40 L CA -0.078 54.742 54.840 -0.033 0.000 0.815 40 L CB 0.624 42.663 42.059 -0.033 0.000 1.109 40 L HN 0.234 nan 8.230 nan 0.000 0.462 41 G N 0.616 109.408 108.800 -0.013 0.000 2.616 41 G HA2 0.189 4.149 3.960 -0.000 0.000 0.268 41 G HA3 0.189 4.149 3.960 -0.000 0.000 0.268 41 G C 0.811 175.710 174.900 -0.002 0.000 1.213 41 G CA -0.262 44.834 45.100 -0.006 0.000 0.926 41 G HN 0.723 nan 8.290 nan 0.000 0.523 42 S N -1.183 114.523 115.700 0.010 0.000 2.359 42 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 42 S C 1.047 175.658 174.600 0.019 0.000 1.038 42 S CA 1.046 59.261 58.200 0.025 0.000 1.051 42 S CB -0.242 62.983 63.200 0.041 0.000 0.944 42 S HN 0.373 nan 8.310 nan 0.000 0.433 43 V N 1.646 121.564 119.914 0.006 0.000 2.581 43 V HA 0.403 4.523 4.120 -0.000 0.000 0.303 43 V C -0.283 175.793 176.094 -0.030 0.000 1.041 43 V CA -0.683 61.608 62.300 -0.015 0.000 0.907 43 V CB 1.737 33.549 31.823 -0.019 0.000 0.994 43 V HN 0.161 nan 8.190 nan 0.000 0.442 44 T N 6.057 120.579 114.554 -0.053 0.000 2.801 44 T HA 0.294 4.644 4.350 -0.000 0.000 0.306 44 T C -1.787 172.863 174.700 -0.083 0.000 1.020 44 T CA -0.969 61.099 62.100 -0.054 0.000 0.948 44 T CB 1.552 70.394 68.868 -0.042 0.000 0.962 44 T HN 0.525 nan 8.240 nan 0.000 0.465 45 P HA -0.065 nan 4.420 nan 0.000 0.219 45 P C 1.148 178.403 177.300 -0.074 0.000 1.146 45 P CA 0.790 63.850 63.100 -0.066 0.000 0.808 45 P CB 0.318 31.995 31.700 -0.039 0.000 0.779 46 E N -0.728 119.437 120.200 -0.059 0.000 2.268 46 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 46 E C 1.246 177.806 176.600 -0.067 0.000 0.995 46 E CA 1.084 57.457 56.400 -0.045 0.000 0.836 46 E CB -0.510 29.177 29.700 -0.020 0.000 0.763 46 E HN 0.272 nan 8.360 nan 0.000 0.491 47 G N -1.674 107.049 108.800 -0.129 0.000 2.384 47 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.668 47 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.668 47 G C -0.086 174.696 174.900 -0.196 0.000 1.280 47 G CA -0.400 44.562 45.100 -0.230 0.000 0.992 47 G HN 0.030 nan 8.290 nan 0.000 0.512 48 Y N 0.040 120.359 120.300 0.032 0.000 2.181 48 Y HA 0.008 4.558 4.550 -0.000 0.000 0.288 48 Y C 2.600 178.540 175.900 0.066 0.000 1.146 48 Y CA 2.009 60.138 58.100 0.048 0.000 1.164 48 Y CB -0.376 38.115 38.460 0.051 0.000 0.982 48 Y HN 0.718 nan 8.280 nan 0.000 0.515 49 D N -0.114 120.402 120.400 0.194 0.000 2.117 49 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 49 D C 2.243 178.601 176.300 0.097 0.000 0.987 49 D CA 1.395 55.475 54.000 0.135 0.000 0.829 49 D CB -0.247 40.612 40.800 0.098 0.000 0.961 49 D HN 0.224 nan 8.370 nan 0.000 0.460 50 A N -0.154 122.706 122.820 0.066 0.000 1.940 50 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 50 A C 2.488 180.109 177.584 0.061 0.000 1.176 50 A CA 1.718 53.784 52.037 0.048 0.000 0.631 50 A CB -0.857 18.155 19.000 0.019 0.000 0.814 50 A HN 0.243 nan 8.150 nan 0.000 0.446 51 V N 0.628 120.587 119.914 0.075 0.000 2.307 51 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 51 V C 2.433 178.598 176.094 0.117 0.000 1.045 51 V CA 1.753 64.107 62.300 0.091 0.000 1.024 51 V CB -0.664 31.227 31.823 0.113 0.000 0.651 51 V HN 0.531 nan 8.190 nan 0.000 0.449 52 I N 0.038 120.696 120.570 0.147 0.000 2.226 52 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 52 I C 2.587 178.755 176.117 0.085 0.000 1.100 52 I CA 1.418 62.794 61.300 0.126 0.000 1.374 52 I CB -1.437 36.639 38.000 0.127 0.000 1.057 52 I HN 0.375 nan 8.210 nan 0.000 0.413 53 E N 0.500 120.748 120.200 0.080 0.000 2.077 53 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 53 E C 2.331 178.981 176.600 0.082 0.000 0.989 53 E CA 1.465 57.904 56.400 0.065 0.000 0.800 53 E CB -0.383 29.349 29.700 0.054 0.000 0.746 53 E HN 0.414 nan 8.360 nan 0.000 0.452 54 S N 0.470 116.230 115.700 0.100 0.000 2.368 54 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 54 S C 2.204 176.922 174.600 0.197 0.000 1.030 54 S CA 1.232 59.527 58.200 0.159 0.000 0.999 54 S CB -0.152 63.112 63.200 0.107 0.000 0.844 54 S HN 0.064 nan 8.310 nan 0.000 0.459 55 V N 1.364 121.341 119.914 0.103 0.000 2.295 55 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 55 V C 2.538 178.685 176.094 0.089 0.000 1.049 55 V CA 1.832 64.177 62.300 0.076 0.000 1.024 55 V CB -0.729 31.122 31.823 0.046 0.000 0.648 55 V HN 0.440 nan 8.190 nan 0.000 0.447 56 V N 0.129 120.083 119.914 0.067 0.000 2.427 56 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 56 V C 2.264 178.381 176.094 0.039 0.000 1.051 56 V CA 2.106 64.429 62.300 0.039 0.000 1.048 56 V CB -0.634 31.203 31.823 0.023 0.000 0.666 56 V HN 0.568 nan 8.190 nan 0.000 0.456 57 D N -0.854 119.578 120.400 0.053 0.000 2.117 57 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 57 D C 2.068 178.331 176.300 -0.061 0.000 0.987 57 D CA 1.478 55.471 54.000 -0.011 0.000 0.829 57 D CB -0.274 40.508 40.800 -0.030 0.000 0.961 57 D HN 0.562 nan 8.370 nan 0.000 0.460 58 H N 0.240 119.307 119.070 -0.006 0.000 2.428 58 H HA 0.151 4.707 4.556 -0.000 0.000 0.296 58 H C 2.000 177.319 175.328 -0.014 0.000 1.062 58 H CA 1.214 57.256 56.048 -0.009 0.000 1.350 58 H CB -0.110 29.648 29.762 -0.007 0.000 1.403 58 H HN 0.098 nan 8.280 nan 0.000 0.533 59 A N 1.070 123.940 122.820 0.084 0.000 1.902 59 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 59 A C 2.294 179.878 177.584 0.000 0.000 1.181 59 A CA 1.364 53.418 52.037 0.027 0.000 0.623 59 A CB -0.251 18.755 19.000 0.010 0.000 0.818 59 A HN 0.228 nan 8.150 nan 0.000 0.443 60 R N -0.830 119.664 120.500 -0.010 0.000 2.081 60 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 60 R C 2.411 178.690 176.300 -0.035 0.000 1.131 60 R CA 1.540 57.625 56.100 -0.026 0.000 0.960 60 R CB -0.452 29.829 30.300 -0.031 0.000 0.856 60 R HN 0.606 nan 8.270 nan 0.000 0.436 61 R N 0.643 121.112 120.500 -0.051 0.000 2.073 61 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 61 R C 2.436 178.719 176.300 -0.028 0.000 1.134 61 R CA 1.238 57.303 56.100 -0.058 0.000 0.952 61 R CB -0.258 29.980 30.300 -0.103 0.000 0.850 61 R HN 0.142 nan 8.270 nan 0.000 0.433 62 L N 0.512 121.728 121.223 -0.011 0.000 2.017 62 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 62 L C 2.909 179.768 176.870 -0.018 0.000 1.073 62 L CA 1.313 56.149 54.840 -0.006 0.000 0.745 62 L CB -0.641 41.419 42.059 0.002 0.000 0.894 62 L HN 0.360 nan 8.230 nan 0.000 0.432 63 Q N 1.118 120.905 119.800 -0.021 0.000 2.077 63 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 63 Q C 2.097 178.082 176.000 -0.026 0.000 0.989 63 Q CA 1.893 57.681 55.803 -0.026 0.000 0.853 63 Q CB -0.075 28.648 28.738 -0.026 0.000 0.907 63 Q HN 0.472 nan 8.270 nan 0.000 0.418 64 K N -0.049 120.335 120.400 -0.026 0.000 2.209 64 K HA -0.138 4.181 4.320 -0.000 0.000 0.204 64 K C 2.042 178.629 176.600 -0.022 0.000 1.048 64 K CA 1.127 57.399 56.287 -0.025 0.000 0.940 64 K CB 0.022 32.505 32.500 -0.028 0.000 0.729 64 K HN 0.355 nan 8.250 nan 0.000 0.451 65 Q N -0.787 119.001 119.800 -0.021 0.000 2.403 65 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 65 Q C 0.646 176.634 176.000 -0.019 0.000 0.932 65 Q CA 0.448 56.241 55.803 -0.017 0.000 0.945 65 Q CB 0.876 29.608 28.738 -0.010 0.000 1.045 65 Q HN 0.513 nan 8.270 nan 0.000 0.511 66 G N 0.238 109.023 108.800 -0.025 0.000 2.168 66 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.197 66 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.197 66 G C 0.167 175.043 174.900 -0.040 0.000 0.997 66 G CA -0.257 44.824 45.100 -0.031 0.000 0.658 66 G HN 0.461 nan 8.290 nan 0.000 0.513 67 A N 0.131 122.928 122.820 -0.038 0.000 2.540 67 A HA 0.701 5.021 4.320 -0.000 0.000 0.239 67 A C 1.565 179.115 177.584 -0.056 0.000 1.061 67 A CA 1.256 53.264 52.037 -0.049 0.000 0.758 67 A CB 0.604 19.580 19.000 -0.039 0.000 0.991 67 A HN 1.777 nan 8.150 nan 0.000 0.502 68 A N 2.080 124.856 122.820 -0.072 0.000 2.115 68 A HA 0.444 4.764 4.320 -0.000 0.000 0.211 68 A C 0.883 178.424 177.584 -0.072 0.000 1.169 68 A CA 1.243 53.237 52.037 -0.071 0.000 0.787 68 A CB -0.419 18.532 19.000 -0.082 0.000 0.858 68 A HN 2.050 nan 8.150 nan 0.000 0.474 69 V N -3.952 115.914 119.914 -0.079 0.000 3.159 69 V HA 0.811 4.931 4.120 -0.000 0.000 0.308 69 V C -1.188 174.866 176.094 -0.066 0.000 1.190 69 V CA -0.895 61.360 62.300 -0.075 0.000 1.037 69 V CB 1.765 33.534 31.823 -0.089 0.000 1.060 69 V HN 0.003 nan 8.190 nan 0.000 0.437 70 V N 1.684 121.561 119.914 -0.061 0.000 2.638 70 V HA 0.727 4.847 4.120 -0.000 0.000 0.306 70 V C -0.151 175.905 176.094 -0.064 0.000 1.052 70 V CA -0.066 62.201 62.300 -0.054 0.000 0.885 70 V CB 1.734 33.534 31.823 -0.039 0.000 0.999 70 V HN 1.162 nan 8.190 nan 0.000 0.424 71 S N 4.247 119.903 115.700 -0.073 0.000 2.478 71 S HA 0.596 5.066 4.470 -0.000 0.000 0.312 71 S C -0.813 173.741 174.600 -0.078 0.000 1.094 71 S CA -0.565 57.585 58.200 -0.083 0.000 1.081 71 S CB 1.174 64.308 63.200 -0.110 0.000 1.007 71 S HN 0.651 nan 8.310 nan 0.000 0.475 72 L N 6.475 127.656 121.223 -0.070 0.000 2.433 72 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 72 L C 0.014 176.841 176.870 -0.071 0.000 1.120 72 L CA 0.553 55.355 54.840 -0.064 0.000 0.879 72 L CB 0.088 42.112 42.059 -0.058 0.000 1.232 72 L HN 0.705 nan 8.230 nan 0.000 0.454 73 M N 5.226 124.784 119.600 -0.071 0.000 3.568 73 M HA 0.376 4.856 4.480 -0.000 0.000 0.213 73 M C 0.432 176.707 176.300 -0.040 0.000 1.256 73 M CA -0.001 55.263 55.300 -0.059 0.000 1.418 73 M CB -0.202 32.346 32.600 -0.086 0.000 1.102 73 M HN 0.647 nan 8.290 nan 0.000 0.599 74 G N 0.007 108.782 108.800 -0.043 0.000 2.590 74 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 74 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 74 G C 0.521 175.403 174.900 -0.031 0.000 1.347 74 G CA -0.304 44.768 45.100 -0.046 0.000 0.963 74 G HN 0.342 nan 8.290 nan 0.000 0.494 75 T N 1.606 116.150 114.554 -0.017 0.000 2.708 75 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 75 T C 2.749 177.396 174.700 -0.088 0.000 1.037 75 T CA 1.953 64.094 62.100 0.068 0.000 1.146 75 T CB -0.082 68.812 68.868 0.043 0.000 0.865 75 T HN 0.413 nan 8.240 nan 0.000 0.435 76 S N 1.400 116.857 115.700 -0.406 0.000 2.355 76 S HA 0.062 4.532 4.470 -0.000 0.000 0.222 76 S C 2.081 176.501 174.600 -0.300 0.000 1.031 76 S CA 0.827 58.503 58.200 -0.873 0.000 0.993 76 S CB -0.498 62.238 63.200 -0.772 0.000 0.859 76 S HN 0.307 nan 8.310 nan 0.000 0.453 77 L N 1.178 122.333 121.223 -0.113 0.000 2.083 77 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 77 L C 2.466 179.418 176.870 0.138 0.000 1.083 77 L CA 0.977 55.857 54.840 0.067 0.000 0.752 77 L CB -0.474 41.631 42.059 0.078 0.000 0.899 77 L HN 0.264 nan 8.230 nan 0.000 0.433 78 S N -1.004 114.691 115.700 -0.009 0.000 2.406 78 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 78 S C 1.517 175.953 174.600 -0.273 0.000 1.020 78 S CA 1.156 59.248 58.200 -0.180 0.000 0.965 78 S CB -0.075 62.863 63.200 -0.436 0.000 0.798 78 S HN 0.274 nan 8.310 nan 0.000 0.488 79 F N -1.414 118.537 119.950 0.001 0.000 2.637 79 F HA 0.333 4.860 4.527 -0.000 0.000 0.284 79 F C 1.454 177.494 175.800 0.400 0.000 1.105 79 F CA -0.144 57.859 58.000 0.005 0.000 1.356 79 F CB -0.152 38.826 39.000 -0.037 0.000 1.096 79 F HN 0.077 nan 8.300 nan 0.000 0.616 80 Y N 0.583 121.050 120.300 0.279 0.000 2.509 80 Y HA 0.042 4.592 4.550 -0.000 0.000 0.293 80 Y C 1.664 177.644 175.900 0.134 0.000 1.133 80 Y CA 0.555 58.766 58.100 0.185 0.000 1.283 80 Y CB -0.629 37.895 38.460 0.108 0.000 1.001 80 Y HN -0.008 nan 8.280 nan 0.000 0.555 81 R N -0.530 120.138 120.500 0.279 0.000 2.432 81 R HA 0.351 4.690 4.340 -0.000 0.000 0.260 81 R C 0.756 177.192 176.300 0.227 0.000 0.935 81 R CA 0.455 56.622 56.100 0.111 0.000 1.080 81 R CB 0.390 30.526 30.300 -0.273 0.000 1.155 81 R HN 0.291 nan 8.270 nan 0.000 0.531 82 G N 0.247 109.279 108.800 0.387 0.000 2.757 82 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.638 82 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.638 82 G C 0.457 175.485 174.900 0.213 0.000 1.344 82 G CA -0.412 44.852 45.100 0.274 0.000 0.855 82 G HN 0.167 nan 8.290 nan 0.000 0.537 83 A N -0.620 122.056 122.820 -0.240 0.000 1.929 83 A HA 0.448 4.768 4.320 -0.000 0.000 0.216 83 A C 2.930 180.507 177.584 -0.011 0.000 1.176 83 A CA 3.033 54.918 52.037 -0.254 0.000 0.628 83 A CB -0.880 17.804 19.000 -0.527 0.000 0.816 83 A HN 2.452 nan 8.150 nan 0.000 0.444 84 A N -0.880 121.941 122.820 0.003 0.000 1.902 84 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 84 A C 2.035 179.661 177.584 0.070 0.000 1.181 84 A CA 1.628 53.681 52.037 0.027 0.000 0.623 84 A CB -0.750 18.266 19.000 0.026 0.000 0.818 84 A HN 0.697 nan 8.150 nan 0.000 0.443 85 F N 1.453 121.417 119.950 0.024 0.000 2.134 85 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 85 F C 1.955 177.785 175.800 0.050 0.000 1.097 85 F CA 2.047 60.070 58.000 0.038 0.000 1.264 85 F CB -0.505 38.531 39.000 0.061 0.000 1.001 85 F HN 0.358 nan 8.300 nan 0.000 0.479 86 N N 0.435 119.182 118.700 0.078 0.000 2.104 86 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 86 N C 1.876 177.315 175.510 -0.119 0.000 1.024 86 N CA 1.736 54.776 53.050 -0.018 0.000 0.853 86 N CB -0.472 38.130 38.487 0.193 0.000 1.008 86 N HN 0.360 nan 8.380 nan 0.000 0.424 87 A N 0.185 122.965 122.820 -0.066 0.000 1.902 87 A HA 0.061 4.380 4.320 -0.000 0.000 0.217 87 A C 2.345 179.854 177.584 -0.125 0.000 1.181 87 A CA 1.831 53.823 52.037 -0.075 0.000 0.623 87 A CB -1.264 17.712 19.000 -0.042 0.000 0.818 87 A HN 0.456 nan 8.150 nan 0.000 0.443 88 A N -0.622 122.096 122.820 -0.171 0.000 1.902 88 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 88 A C 2.110 179.544 177.584 -0.249 0.000 1.181 88 A CA 1.725 53.652 52.037 -0.183 0.000 0.623 88 A CB -0.586 18.316 19.000 -0.163 0.000 0.818 88 A HN 0.651 nan 8.150 nan 0.000 0.443 89 L N -0.198 120.768 121.223 -0.428 0.000 2.093 89 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 89 L C 2.401 179.149 176.870 -0.203 0.000 1.085 89 L CA 2.646 57.257 54.840 -0.382 0.000 0.755 89 L CB -1.069 40.637 42.059 -0.588 0.000 0.904 89 L HN 0.370 nan 8.230 nan 0.000 0.435 90 T N -1.200 113.250 114.554 -0.174 0.000 2.708 90 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 90 T C 1.965 176.613 174.700 -0.087 0.000 1.037 90 T CA 1.737 63.772 62.100 -0.108 0.000 1.146 90 T CB -0.371 68.445 68.868 -0.086 0.000 0.865 90 T HN 0.193 nan 8.240 nan 0.000 0.435 91 V N 1.632 121.493 119.914 -0.088 0.000 2.343 91 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 91 V C 2.857 178.915 176.094 -0.061 0.000 1.051 91 V CA 1.607 63.867 62.300 -0.066 0.000 1.036 91 V CB -1.191 30.596 31.823 -0.060 0.000 0.654 91 V HN 0.528 nan 8.190 nan 0.000 0.451 92 A N -0.496 122.280 122.820 -0.074 0.000 1.883 92 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 92 A C 2.257 179.814 177.584 -0.045 0.000 1.186 92 A CA 2.323 54.327 52.037 -0.056 0.000 0.624 92 A CB -0.482 18.479 19.000 -0.064 0.000 0.822 92 A HN 0.486 nan 8.150 nan 0.000 0.444 93 M N -1.425 118.144 119.600 -0.053 0.000 2.065 93 M HA -0.183 4.296 4.480 -0.000 0.000 0.259 93 M C 2.482 178.760 176.300 -0.037 0.000 1.069 93 M CA 2.104 57.379 55.300 -0.040 0.000 1.110 93 M CB -0.402 32.170 32.600 -0.047 0.000 1.328 93 M HN 0.509 nan 8.290 nan 0.000 0.405 94 R N 0.461 120.936 120.500 -0.043 0.000 2.081 94 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 94 R C 1.857 178.138 176.300 -0.033 0.000 1.131 94 R CA 1.464 57.541 56.100 -0.039 0.000 0.960 94 R CB -0.079 30.196 30.300 -0.042 0.000 0.856 94 R HN 0.321 nan 8.270 nan 0.000 0.436 95 E N 0.127 120.308 120.200 -0.032 0.000 2.204 95 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 95 E C 1.767 178.353 176.600 -0.022 0.000 0.989 95 E CA 1.084 57.468 56.400 -0.026 0.000 0.824 95 E CB -0.072 29.613 29.700 -0.025 0.000 0.756 95 E HN 0.462 nan 8.360 nan 0.000 0.477 96 A N 1.014 123.821 122.820 -0.022 0.000 1.929 96 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 96 A C 2.360 179.932 177.584 -0.019 0.000 1.176 96 A CA 2.110 54.136 52.037 -0.018 0.000 0.628 96 A CB -0.434 18.557 19.000 -0.014 0.000 0.816 96 A HN 0.364 nan 8.150 nan 0.000 0.444 97 T N -5.562 108.978 114.554 -0.023 0.000 3.023 97 T HA 0.404 4.754 4.350 -0.000 0.000 0.249 97 T C 1.503 176.187 174.700 -0.026 0.000 1.050 97 T CA 1.155 63.241 62.100 -0.024 0.000 1.088 97 T CB 0.078 68.930 68.868 -0.026 0.000 0.946 97 T HN 1.661 nan 8.240 nan 0.000 0.480 98 G N 1.547 110.331 108.800 -0.027 0.000 2.155 98 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.257 98 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.257 98 G C -0.110 174.771 174.900 -0.031 0.000 0.983 98 G CA 0.488 45.572 45.100 -0.027 0.000 0.676 98 G HN 0.654 nan 8.290 nan 0.000 0.528 99 L N -0.090 121.112 121.223 -0.035 0.000 2.330 99 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 99 L C -2.113 174.730 176.870 -0.044 0.000 1.013 99 L CA -2.627 52.189 54.840 -0.040 0.000 0.816 99 L CB 1.757 43.791 42.059 -0.042 0.000 1.287 99 L HN -0.193 nan 8.230 nan 0.000 0.435 100 P HA 0.074 nan 4.420 nan 0.000 0.267 100 P C -1.114 176.152 177.300 -0.057 0.000 1.209 100 P CA -0.146 62.922 63.100 -0.054 0.000 0.763 100 P CB 0.408 32.071 31.700 -0.062 0.000 0.816 101 C N 2.384 121.650 119.300 -0.056 0.000 2.614 101 C HA 0.832 5.292 4.460 -0.000 0.000 0.320 101 C C 0.463 175.417 174.990 -0.061 0.000 1.200 101 C CA 0.017 59.000 59.018 -0.058 0.000 1.700 101 C CB 2.061 29.769 27.740 -0.054 0.000 2.275 101 C HN 0.562 nan 8.230 nan 0.000 0.492 102 T N 0.075 114.590 114.554 -0.064 0.000 2.754 102 T HA 0.856 5.206 4.350 -0.000 0.000 0.296 102 T C -0.813 173.846 174.700 -0.068 0.000 1.205 102 T CA 0.013 62.075 62.100 -0.062 0.000 1.009 102 T CB 1.783 70.614 68.868 -0.063 0.000 1.368 102 T HN 1.003 nan 8.240 nan 0.000 0.509 103 T N -0.908 113.605 114.554 -0.069 0.000 2.841 103 T HA 0.406 4.756 4.350 -0.000 0.000 0.296 103 T C 1.289 175.933 174.700 -0.094 0.000 1.166 103 T CA -0.558 61.487 62.100 -0.091 0.000 1.007 103 T CB 1.215 70.011 68.868 -0.121 0.000 1.253 103 T HN 0.675 nan 8.240 nan 0.000 0.511 104 M N 1.465 120.996 119.600 -0.115 0.000 2.149 104 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 104 M C 2.204 178.390 176.300 -0.191 0.000 1.064 104 M CA 2.688 57.942 55.300 -0.076 0.000 1.102 104 M CB -0.464 32.127 32.600 -0.014 0.000 1.369 104 M HN 0.877 nan 8.290 nan 0.000 0.408 105 S N -1.083 114.259 115.700 -0.597 0.000 2.368 105 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 105 S C 1.721 176.184 174.600 -0.228 0.000 1.029 105 S CA 1.676 59.288 58.200 -0.979 0.000 0.988 105 S CB -1.123 61.028 63.200 -1.748 0.000 0.838 105 S HN 0.519 nan 8.310 nan 0.000 0.462 106 T N 2.985 117.482 114.554 -0.095 0.000 2.684 106 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 106 T C 2.236 176.995 174.700 0.099 0.000 1.036 106 T CA 1.587 63.712 62.100 0.042 0.000 1.148 106 T CB -0.968 67.908 68.868 0.014 0.000 0.863 106 T HN 0.636 nan 8.240 nan 0.000 0.436 107 A N 0.901 123.778 122.820 0.096 0.000 1.892 107 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 107 A C 2.610 180.384 177.584 0.317 0.000 1.188 107 A CA 1.700 53.875 52.037 0.231 0.000 0.631 107 A CB -1.119 18.017 19.000 0.227 0.000 0.822 107 A HN 0.366 nan 8.150 nan 0.000 0.447 108 V N -0.020 120.035 119.914 0.235 0.000 2.358 108 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 108 V C 2.573 178.810 176.094 0.237 0.000 1.047 108 V CA 1.882 64.332 62.300 0.250 0.000 1.035 108 V CB -0.722 31.305 31.823 0.339 0.000 0.658 108 V HN 0.570 nan 8.190 nan 0.000 0.452 109 L N 0.176 121.547 121.223 0.247 0.000 2.012 109 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 109 L C 2.483 179.484 176.870 0.218 0.000 1.073 109 L CA 1.633 56.615 54.840 0.238 0.000 0.748 109 L CB -0.768 41.441 42.059 0.249 0.000 0.891 109 L HN 0.386 nan 8.230 nan 0.000 0.431 110 N N 0.289 119.145 118.700 0.260 0.000 2.166 110 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 110 N C 1.810 177.578 175.510 0.431 0.000 1.019 110 N CA 1.502 54.748 53.050 0.327 0.000 0.856 110 N CB -0.587 38.090 38.487 0.316 0.000 0.993 110 N HN 0.372 nan 8.380 nan 0.000 0.426 111 G N 1.110 110.129 108.800 0.364 0.000 2.404 111 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.215 111 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.215 111 G C 1.683 176.553 174.900 -0.051 0.000 1.174 111 G CA 0.329 45.390 45.100 -0.065 0.000 0.780 111 G HN 0.224 nan 8.290 nan 0.000 0.537 112 L N -0.249 120.997 121.223 0.039 0.000 2.093 112 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 112 L C 2.912 179.812 176.870 0.051 0.000 1.085 112 L CA 1.098 55.958 54.840 0.033 0.000 0.755 112 L CB -0.362 41.740 42.059 0.073 0.000 0.904 112 L HN 0.154 nan 8.230 nan 0.000 0.435 113 R N 0.393 120.949 120.500 0.094 0.000 2.073 113 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 113 R C 2.346 178.699 176.300 0.089 0.000 1.134 113 R CA 1.544 57.702 56.100 0.096 0.000 0.952 113 R CB -0.288 30.084 30.300 0.120 0.000 0.850 113 R HN 0.346 nan 8.270 nan 0.000 0.433 114 A N 0.637 123.529 122.820 0.119 0.000 1.978 114 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 114 A C 2.001 179.606 177.584 0.037 0.000 1.170 114 A CA 1.139 53.246 52.037 0.117 0.000 0.636 114 A CB -0.300 18.826 19.000 0.210 0.000 0.810 114 A HN 0.361 nan 8.150 nan 0.000 0.448 115 L N -1.342 119.874 121.223 -0.012 0.000 2.592 115 L HA 0.217 4.557 4.340 -0.000 0.000 0.227 115 L C 1.552 178.416 176.870 -0.010 0.000 1.127 115 L CA 0.462 55.278 54.840 -0.040 0.000 0.884 115 L CB -0.075 41.928 42.059 -0.093 0.000 1.065 115 L HN 0.549 nan 8.230 nan 0.000 0.457 116 G N 0.637 109.446 108.800 0.014 0.000 2.176 116 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 116 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 116 G C 0.093 175.006 174.900 0.023 0.000 1.024 116 G CA 0.080 45.194 45.100 0.023 0.000 0.755 116 G HN 0.116 nan 8.290 nan 0.000 0.507 117 V N 0.290 120.218 119.914 0.023 0.000 2.408 117 V HA 0.433 4.552 4.120 -0.000 0.000 0.267 117 V C 1.437 177.557 176.094 0.043 0.000 1.047 117 V CA 0.555 62.872 62.300 0.029 0.000 0.937 117 V CB 1.271 33.106 31.823 0.020 0.000 0.999 117 V HN 0.488 nan 8.190 nan 0.000 0.472 118 R N 3.755 124.280 120.500 0.042 0.000 2.164 118 R HA 0.273 4.612 4.340 -0.000 0.000 0.198 118 R C 0.692 177.019 176.300 0.046 0.000 1.028 118 R CA -0.008 56.118 56.100 0.045 0.000 1.083 118 R CB 0.432 30.754 30.300 0.037 0.000 1.026 118 R HN 0.556 nan 8.270 nan 0.000 0.514 119 R N 1.350 121.876 120.500 0.043 0.000 2.202 119 R HA 0.290 4.630 4.340 -0.000 0.000 0.334 119 R C -1.111 175.221 176.300 0.053 0.000 1.036 119 R CA -0.355 55.770 56.100 0.041 0.000 0.878 119 R CB 1.968 32.287 30.300 0.032 0.000 1.067 119 R HN -0.044 nan 8.270 nan 0.000 0.457 120 V N 1.987 121.931 119.914 0.050 0.000 2.448 120 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 120 V C 0.146 176.270 176.094 0.050 0.000 1.025 120 V CA -1.148 61.186 62.300 0.057 0.000 0.859 120 V CB 1.672 33.528 31.823 0.055 0.000 0.988 120 V HN 0.851 nan 8.190 nan 0.000 0.431 121 A N 5.346 128.207 122.820 0.068 0.000 2.301 121 A HA 0.828 5.148 4.320 -0.000 0.000 0.298 121 A C -0.736 176.875 177.584 0.045 0.000 1.185 121 A CA -0.312 51.759 52.037 0.056 0.000 0.830 121 A CB 0.320 19.375 19.000 0.091 0.000 1.112 121 A HN 0.730 nan 8.150 nan 0.000 0.508 122 L N 1.793 123.030 121.223 0.023 0.000 2.309 122 L HA 0.724 5.063 4.340 -0.000 0.000 0.282 122 L C 0.463 177.339 176.870 0.010 0.000 1.036 122 L CA 0.305 55.149 54.840 0.007 0.000 0.806 122 L CB 1.725 43.776 42.059 -0.014 0.000 1.220 122 L HN 0.802 nan 8.230 nan 0.000 0.429 123 A N 1.393 124.219 122.820 0.009 0.000 2.449 123 A HA 0.867 5.187 4.320 -0.000 0.000 0.302 123 A C -0.660 176.933 177.584 0.016 0.000 1.048 123 A CA -0.481 51.566 52.037 0.016 0.000 0.708 123 A CB 1.977 20.992 19.000 0.025 0.000 1.274 123 A HN 0.542 nan 8.150 nan 0.000 0.410 124 T N -0.104 114.467 114.554 0.028 0.000 2.894 124 T HA 0.564 4.914 4.350 -0.000 0.000 0.309 124 T C 0.665 175.404 174.700 0.065 0.000 1.208 124 T CA 0.446 62.576 62.100 0.051 0.000 1.016 124 T CB 1.572 70.485 68.868 0.075 0.000 1.192 124 T HN 1.543 nan 8.240 nan 0.000 0.491 125 A N 2.501 125.370 122.820 0.080 0.000 2.169 125 A HA 0.262 4.582 4.320 -0.000 0.000 0.212 125 A C 0.635 178.314 177.584 0.157 0.000 1.153 125 A CA 0.489 52.578 52.037 0.087 0.000 0.756 125 A CB -0.405 18.633 19.000 0.063 0.000 0.813 125 A HN 0.720 nan 8.150 nan 0.000 0.471 126 Y N 0.419 120.723 120.300 0.007 0.000 2.707 126 Y HA 0.544 5.094 4.550 -0.000 0.000 0.409 126 Y C 0.659 176.564 175.900 0.008 0.000 1.343 126 Y CA -1.628 56.479 58.100 0.012 0.000 1.663 126 Y CB 0.016 38.489 38.460 0.021 0.000 1.678 126 Y HN 0.263 nan 8.280 nan 0.000 0.687 127 I N -0.605 119.728 120.570 -0.395 0.000 2.834 127 I HA 0.233 4.403 4.170 -0.000 0.000 0.305 127 I C 0.705 176.717 176.117 -0.176 0.000 1.008 127 I CA -0.646 60.444 61.300 -0.351 0.000 1.273 127 I CB 0.828 38.497 38.000 -0.553 0.000 1.432 127 I HN 0.451 nan 8.210 nan 0.000 0.557 128 D N 2.107 122.431 120.400 -0.127 0.000 2.172 128 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 128 D C 1.462 177.708 176.300 -0.089 0.000 0.999 128 D CA 1.766 55.715 54.000 -0.084 0.000 0.856 128 D CB -0.202 40.554 40.800 -0.073 0.000 0.934 128 D HN 0.645 nan 8.370 nan 0.000 0.453 129 D N 0.102 120.430 120.400 -0.119 0.000 2.182 129 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 129 D C 2.122 178.346 176.300 -0.128 0.000 0.986 129 D CA 0.240 54.164 54.000 -0.126 0.000 0.847 129 D CB -0.367 40.355 40.800 -0.129 0.000 0.942 129 D HN 0.079 nan 8.370 nan 0.000 0.467 130 V N 0.990 120.888 119.914 -0.026 0.000 2.343 130 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 130 V C 1.818 177.889 176.094 -0.038 0.000 1.051 130 V CA 1.714 64.051 62.300 0.062 0.000 1.036 130 V CB -0.265 31.722 31.823 0.273 0.000 0.654 130 V HN 0.114 nan 8.190 nan 0.000 0.451 131 N N 0.158 118.835 118.700 -0.039 0.000 2.166 131 N HA -0.151 4.588 4.740 -0.000 0.000 0.186 131 N C 1.780 177.249 175.510 -0.068 0.000 1.019 131 N CA 1.799 54.815 53.050 -0.056 0.000 0.856 131 N CB -0.294 38.172 38.487 -0.035 0.000 0.993 131 N HN 0.648 nan 8.380 nan 0.000 0.426 132 E N 0.308 120.461 120.200 -0.078 0.000 2.072 132 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 132 E C 1.925 178.475 176.600 -0.083 0.000 0.985 132 E CA 0.575 56.931 56.400 -0.074 0.000 0.801 132 E CB 0.093 29.745 29.700 -0.079 0.000 0.750 132 E HN 0.228 nan 8.360 nan 0.000 0.452 133 R N 0.493 120.898 120.500 -0.159 0.000 2.073 133 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 133 R C 2.383 178.681 176.300 -0.003 0.000 1.134 133 R CA 0.822 56.822 56.100 -0.167 0.000 0.952 133 R CB -0.752 29.215 30.300 -0.555 0.000 0.850 133 R HN 0.150 nan 8.270 nan 0.000 0.433 134 L N 0.604 121.771 121.223 -0.093 0.000 2.093 134 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 134 L C 2.487 179.373 176.870 0.027 0.000 1.085 134 L CA 1.746 56.476 54.840 -0.183 0.000 0.755 134 L CB -0.921 40.846 42.059 -0.486 0.000 0.904 134 L HN 0.142 nan 8.230 nan 0.000 0.435 135 A N -0.690 122.137 122.820 0.013 0.000 1.902 135 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 135 A C 2.499 180.144 177.584 0.101 0.000 1.181 135 A CA 1.692 53.760 52.037 0.052 0.000 0.623 135 A CB -0.862 18.147 19.000 0.015 0.000 0.818 135 A HN 0.376 nan 8.150 nan 0.000 0.443 136 A N -1.240 121.640 122.820 0.100 0.000 1.902 136 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 136 A C 2.071 179.757 177.584 0.171 0.000 1.181 136 A CA 1.498 53.597 52.037 0.104 0.000 0.623 136 A CB -0.723 18.322 19.000 0.074 0.000 0.818 136 A HN 0.651 nan 8.150 nan 0.000 0.443 137 F N 0.696 120.714 119.950 0.112 0.000 2.069 137 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 137 F C 1.981 177.877 175.800 0.160 0.000 1.113 137 F CA 1.921 60.032 58.000 0.184 0.000 1.214 137 F CB -0.183 39.036 39.000 0.366 0.000 0.978 137 F HN 0.149 nan 8.300 nan 0.000 0.474 138 L N -0.028 121.487 121.223 0.486 0.000 2.042 138 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 138 L C 2.821 179.775 176.870 0.139 0.000 1.076 138 L CA 1.170 56.197 54.840 0.313 0.000 0.749 138 L CB -1.340 40.867 42.059 0.245 0.000 0.893 138 L HN 0.264 nan 8.230 nan 0.000 0.432 139 A N -0.199 122.683 122.820 0.103 0.000 1.902 139 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 139 A C 2.292 179.886 177.584 0.017 0.000 1.181 139 A CA 1.825 53.893 52.037 0.052 0.000 0.623 139 A CB -0.557 18.469 19.000 0.043 0.000 0.818 139 A HN 0.488 nan 8.150 nan 0.000 0.443 140 E N -0.292 119.902 120.200 -0.011 0.000 2.204 140 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 140 E C 0.780 177.332 176.600 -0.079 0.000 0.990 140 E CA 0.986 57.349 56.400 -0.063 0.000 0.821 140 E CB -0.003 29.625 29.700 -0.121 0.000 0.750 140 E HN 0.534 nan 8.360 nan 0.000 0.477 141 E N -0.081 120.079 120.200 -0.066 0.000 2.444 141 E HA 0.066 4.416 4.350 -0.000 0.000 0.191 141 E C 0.152 176.759 176.600 0.011 0.000 1.041 141 E CA -0.030 56.347 56.400 -0.038 0.000 0.883 141 E CB 0.690 30.382 29.700 -0.014 0.000 1.024 141 E HN 0.078 nan 8.360 nan 0.000 0.470 142 S N -0.301 115.407 115.700 0.012 0.000 3.228 142 S HA -0.188 4.282 4.470 -0.000 0.000 0.282 142 S C 0.396 175.018 174.600 0.037 0.000 1.286 142 S CA 0.389 58.602 58.200 0.021 0.000 1.066 142 S CB -1.203 62.007 63.200 0.016 0.000 1.277 142 S HN 0.175 nan 8.310 nan 0.000 0.661 143 L N 0.674 121.930 121.223 0.055 0.000 2.468 143 L HA 0.498 4.838 4.340 -0.000 0.000 0.254 143 L C 0.533 177.434 176.870 0.053 0.000 1.171 143 L CA 0.054 54.932 54.840 0.063 0.000 0.809 143 L CB 0.566 42.680 42.059 0.092 0.000 1.155 143 L HN 0.067 nan 8.230 nan 0.000 0.473 144 V N 1.661 121.603 119.914 0.047 0.000 2.305 144 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 144 V C -2.308 173.806 176.094 0.034 0.000 1.020 144 V CA -1.583 60.738 62.300 0.035 0.000 0.811 144 V CB 1.101 32.938 31.823 0.024 0.000 1.031 144 V HN 0.586 nan 8.190 nan 0.000 0.439 145 P HA 0.145 nan 4.420 nan 0.000 0.267 145 P C 0.873 178.180 177.300 0.012 0.000 1.205 145 P CA 0.282 63.399 63.100 0.027 0.000 0.765 145 P CB 0.639 32.355 31.700 0.027 0.000 0.828 146 T N -0.161 114.396 114.554 0.005 0.000 3.010 146 T HA 0.511 4.861 4.350 -0.000 0.000 0.257 146 T C 0.560 175.247 174.700 -0.023 0.000 1.020 146 T CA 0.009 62.102 62.100 -0.012 0.000 0.938 146 T CB -0.069 68.786 68.868 -0.022 0.000 1.049 146 T HN 0.582 nan 8.240 nan 0.000 0.522 147 G N -0.531 108.261 108.800 -0.013 0.000 2.358 147 G HA2 0.437 4.396 3.960 -0.000 0.000 0.301 147 G HA3 0.437 4.396 3.960 -0.000 0.000 0.301 147 G C -1.758 173.137 174.900 -0.008 0.000 1.539 147 G CA -0.652 44.438 45.100 -0.018 0.000 0.893 147 G HN 0.370 nan 8.290 nan 0.000 0.636 148 C N 0.429 119.722 119.300 -0.011 0.000 2.608 148 C HA 0.898 5.358 4.460 -0.000 0.000 0.325 148 C C 0.098 175.084 174.990 -0.007 0.000 1.147 148 C CA -0.713 58.299 59.018 -0.009 0.000 1.359 148 C CB 1.613 29.343 27.740 -0.017 0.000 1.912 148 C HN 0.928 nan 8.230 nan 0.000 0.466 149 R N 1.842 122.342 120.500 -0.000 0.000 2.621 149 R HA 0.754 5.094 4.340 -0.000 0.000 0.284 149 R C -0.748 175.555 176.300 0.006 0.000 0.998 149 R CA 0.136 56.237 56.100 0.003 0.000 0.895 149 R CB 1.921 32.228 30.300 0.011 0.000 1.195 149 R HN 0.948 nan 8.270 nan 0.000 0.450 150 S N 3.030 118.731 115.700 0.002 0.000 2.599 150 S HA 0.423 4.893 4.470 -0.000 0.000 0.287 150 S C 0.349 174.956 174.600 0.011 0.000 1.105 150 S CA -0.971 57.234 58.200 0.008 0.000 0.899 150 S CB 1.671 64.866 63.200 -0.008 0.000 1.100 150 S HN 0.599 nan 8.310 nan 0.000 0.482 151 L N 0.865 122.102 121.223 0.025 0.000 2.463 151 L HA 0.380 4.720 4.340 -0.000 0.000 0.219 151 L C 1.768 178.649 176.870 0.018 0.000 1.088 151 L CA 0.393 55.247 54.840 0.024 0.000 0.849 151 L CB -0.583 41.496 42.059 0.034 0.000 1.012 151 L HN 1.191 nan 8.230 nan 0.000 0.468 152 G N 1.579 110.387 108.800 0.014 0.000 2.176 152 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 152 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 152 G C 0.165 175.081 174.900 0.027 0.000 1.024 152 G CA -0.118 44.974 45.100 -0.013 0.000 0.755 152 G HN 0.317 nan 8.290 nan 0.000 0.507 153 I N 2.191 122.811 120.570 0.083 0.000 2.278 153 I HA 0.164 4.333 4.170 -0.000 0.000 0.296 153 I C 2.038 178.275 176.117 0.200 0.000 1.121 153 I CA 0.247 61.609 61.300 0.104 0.000 1.267 153 I CB 0.632 38.682 38.000 0.084 0.000 1.447 153 I HN 0.294 nan 8.210 nan 0.000 0.509 154 T N 1.146 115.803 114.554 0.171 0.000 2.833 154 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 154 T C 1.969 176.818 174.700 0.248 0.000 1.054 154 T CA 1.038 63.315 62.100 0.295 0.000 1.135 154 T CB -0.376 68.591 68.868 0.164 0.000 0.869 154 T HN 0.674 nan 8.240 nan 0.000 0.466 155 G N 1.704 110.578 108.800 0.122 0.000 2.501 155 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 155 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 155 G C 1.607 176.512 174.900 0.008 0.000 1.114 155 G CA 0.958 46.092 45.100 0.056 0.000 0.757 155 G HN 0.771 nan 8.290 nan 0.000 0.559 156 V N -0.265 119.651 119.914 0.004 0.000 3.305 156 V HA -0.016 4.104 4.120 -0.000 0.000 0.269 156 V C 2.176 178.119 176.094 -0.253 0.000 1.157 156 V CA 1.820 64.067 62.300 -0.089 0.000 1.157 156 V CB -0.406 31.388 31.823 -0.049 0.000 0.772 156 V HN 0.685 nan 8.190 nan 0.000 0.498 157 E N 1.022 121.018 120.200 -0.340 0.000 2.418 157 E HA 0.114 4.464 4.350 -0.000 0.000 0.197 157 E C 1.392 177.891 176.600 -0.167 0.000 1.026 157 E CA 1.145 57.312 56.400 -0.388 0.000 0.862 157 E CB 0.030 29.567 29.700 -0.272 0.000 0.799 157 E HN 0.734 nan 8.360 nan 0.000 0.518 158 A N 1.106 123.865 122.820 -0.102 0.000 2.218 158 A HA 0.456 4.776 4.320 -0.000 0.000 0.198 158 A C 1.320 178.877 177.584 -0.045 0.000 1.857 158 A CA -0.182 51.821 52.037 -0.057 0.000 1.620 158 A CB 0.295 19.279 19.000 -0.027 0.000 1.424 158 A HN 0.116 nan 8.150 nan 0.000 0.562 159 M N 0.822 120.406 119.600 -0.027 0.000 2.405 159 M HA 0.398 4.878 4.480 -0.000 0.000 0.292 159 M C 0.423 176.713 176.300 -0.016 0.000 1.111 159 M CA 0.057 55.345 55.300 -0.021 0.000 0.979 159 M CB 0.792 33.385 32.600 -0.012 0.000 1.426 159 M HN 0.483 nan 8.290 nan 0.000 0.509 160 A N 1.363 124.173 122.820 -0.017 0.000 2.388 160 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 160 A C 0.018 177.597 177.584 -0.010 0.000 1.095 160 A CA -0.191 51.842 52.037 -0.006 0.000 0.791 160 A CB 0.491 19.494 19.000 0.005 0.000 1.029 160 A HN 0.321 nan 8.150 nan 0.000 0.489 161 R N 2.109 122.606 120.500 -0.005 0.000 2.445 161 R HA 0.534 4.874 4.340 -0.000 0.000 0.308 161 R C -1.596 174.704 176.300 0.001 0.000 0.961 161 R CA -0.377 55.719 56.100 -0.006 0.000 0.862 161 R CB 1.355 31.650 30.300 -0.008 0.000 1.144 161 R HN 0.480 nan 8.270 nan 0.000 0.447 162 V N 3.981 123.896 119.914 0.002 0.000 2.435 162 V HA 0.153 4.273 4.120 -0.000 0.000 0.290 162 V C -0.137 175.961 176.094 0.006 0.000 1.030 162 V CA -0.927 61.377 62.300 0.008 0.000 0.881 162 V CB 1.746 33.577 31.823 0.013 0.000 0.983 162 V HN 0.661 nan 8.190 nan 0.000 0.445 163 D N 2.942 123.346 120.400 0.007 0.000 2.525 163 D HA 0.039 4.679 4.640 -0.000 0.000 0.235 163 D C 1.441 177.746 176.300 0.007 0.000 1.137 163 D CA 0.515 54.518 54.000 0.006 0.000 0.868 163 D CB 1.131 41.935 40.800 0.006 0.000 1.180 163 D HN 0.654 nan 8.370 nan 0.000 0.465 164 T N 1.927 116.486 114.554 0.007 0.000 2.624 164 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 164 T C 1.821 176.526 174.700 0.008 0.000 1.041 164 T CA 1.899 64.005 62.100 0.010 0.000 1.159 164 T CB -0.196 68.679 68.868 0.012 0.000 0.863 164 T HN 0.551 nan 8.240 nan 0.000 0.434 165 A N 1.022 123.846 122.820 0.006 0.000 1.978 165 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 165 A C 2.552 180.141 177.584 0.007 0.000 1.170 165 A CA 2.144 54.184 52.037 0.005 0.000 0.636 165 A CB -1.172 17.830 19.000 0.004 0.000 0.810 165 A HN 0.513 nan 8.150 nan 0.000 0.448 166 T N 0.442 115.001 114.554 0.009 0.000 2.777 166 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 166 T C 1.786 176.494 174.700 0.014 0.000 1.040 166 T CA 1.403 63.510 62.100 0.011 0.000 1.141 166 T CB -0.361 68.514 68.868 0.012 0.000 0.868 166 T HN 0.390 nan 8.240 nan 0.000 0.444 167 L N 0.750 121.981 121.223 0.013 0.000 2.083 167 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 167 L C 2.623 179.500 176.870 0.013 0.000 1.083 167 L CA 0.775 55.624 54.840 0.015 0.000 0.752 167 L CB -0.689 41.378 42.059 0.014 0.000 0.899 167 L HN 0.154 nan 8.230 nan 0.000 0.433 168 V N 0.059 119.979 119.914 0.009 0.000 2.307 168 V HA -0.312 3.808 4.120 -0.000 0.000 0.245 168 V C 2.184 178.283 176.094 0.009 0.000 1.045 168 V CA 2.175 64.478 62.300 0.005 0.000 1.024 168 V CB -0.452 31.371 31.823 0.001 0.000 0.651 168 V HN 0.490 nan 8.190 nan 0.000 0.449 169 D N -0.106 120.301 120.400 0.012 0.000 2.123 169 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 169 D C 2.026 178.340 176.300 0.023 0.000 0.992 169 D CA 1.634 55.643 54.000 0.016 0.000 0.833 169 D CB -0.142 40.667 40.800 0.014 0.000 0.954 169 D HN 0.293 nan 8.370 nan 0.000 0.455 170 L N 0.162 121.398 121.223 0.021 0.000 1.990 170 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 170 L C 2.164 179.054 176.870 0.034 0.000 1.072 170 L CA 1.862 56.717 54.840 0.025 0.000 0.755 170 L CB -0.817 41.256 42.059 0.024 0.000 0.889 170 L HN 0.280 nan 8.230 nan 0.000 0.432 171 C N -1.721 117.597 119.300 0.031 0.000 2.440 171 C HA -0.055 4.405 4.460 -0.000 0.000 0.278 171 C C 2.730 177.760 174.990 0.067 0.000 1.295 171 C CA 0.689 59.730 59.018 0.039 0.000 1.738 171 C CB -0.774 26.975 27.740 0.015 0.000 1.987 171 C HN 0.522 nan 8.230 nan 0.000 0.492 172 V N 0.977 120.921 119.914 0.051 0.000 2.295 172 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 172 V C 2.597 178.761 176.094 0.117 0.000 1.049 172 V CA 1.866 64.211 62.300 0.075 0.000 1.024 172 V CB -0.603 31.244 31.823 0.039 0.000 0.648 172 V HN 0.500 nan 8.190 nan 0.000 0.447 173 R N -0.036 120.508 120.500 0.074 0.000 2.115 173 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 173 R C 2.416 178.752 176.300 0.061 0.000 1.111 173 R CA 1.263 57.399 56.100 0.060 0.000 0.976 173 R CB -0.562 29.759 30.300 0.035 0.000 0.870 173 R HN 0.538 nan 8.270 nan 0.000 0.445 174 A N 0.960 123.823 122.820 0.071 0.000 1.883 174 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 174 A C 1.956 179.592 177.584 0.086 0.000 1.186 174 A CA 1.296 53.372 52.037 0.065 0.000 0.624 174 A CB -0.627 18.414 19.000 0.068 0.000 0.822 174 A HN 0.380 nan 8.150 nan 0.000 0.444 175 F N 0.716 120.661 119.950 -0.008 0.000 2.186 175 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 175 F C 2.172 177.968 175.800 -0.007 0.000 1.090 175 F CA 1.948 59.944 58.000 -0.008 0.000 1.307 175 F CB -0.181 38.814 39.000 -0.009 0.000 1.019 175 F HN 0.345 nan 8.300 nan 0.000 0.489 176 E N 0.062 120.304 120.200 0.069 0.000 2.153 176 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 176 E C 2.259 178.796 176.600 -0.105 0.000 0.988 176 E CA 0.898 57.284 56.400 -0.023 0.000 0.811 176 E CB -0.315 29.419 29.700 0.057 0.000 0.746 176 E HN 0.493 nan 8.360 nan 0.000 0.466 177 A N 0.823 123.598 122.820 -0.076 0.000 2.014 177 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 177 A C 1.619 179.129 177.584 -0.123 0.000 1.163 177 A CA 1.108 53.099 52.037 -0.077 0.000 0.652 177 A CB 0.206 19.182 19.000 -0.040 0.000 0.808 177 A HN 0.172 nan 8.150 nan 0.000 0.449 178 A N -0.125 122.580 122.820 -0.193 0.000 3.248 178 A HA 0.557 4.877 4.320 -0.000 0.000 0.315 178 A C -1.818 175.481 177.584 -0.474 0.000 0.974 178 A CA -0.831 51.067 52.037 -0.232 0.000 0.939 178 A CB 0.333 19.254 19.000 -0.132 0.000 1.061 178 A HN 0.205 nan 8.150 nan 0.000 0.481 179 P HA -0.048 nan 4.420 nan 0.000 0.247 179 P C -0.231 176.760 177.300 -0.516 0.000 1.225 179 P CA 0.679 63.239 63.100 -0.900 0.000 0.768 179 P CB 0.049 31.461 31.700 -0.480 0.000 1.020 180 D N -1.404 118.816 120.400 -0.299 0.000 2.460 180 D HA 0.079 4.719 4.640 -0.000 0.000 0.229 180 D C -0.194 176.071 176.300 -0.057 0.000 1.170 180 D CA -0.287 53.638 54.000 -0.124 0.000 0.827 180 D CB -0.120 40.628 40.800 -0.086 0.000 0.973 180 D HN -0.060 nan 8.370 nan 0.000 0.496 181 S N 0.440 116.113 115.700 -0.045 0.000 2.565 181 S HA 0.179 4.649 4.470 -0.000 0.000 0.290 181 S C 0.590 175.312 174.600 0.204 0.000 1.150 181 S CA -0.730 57.527 58.200 0.095 0.000 1.058 181 S CB 2.200 65.491 63.200 0.151 0.000 1.032 181 S HN 0.024 nan 8.310 nan 0.000 0.510 182 D N 1.074 121.552 120.400 0.130 0.000 2.289 182 D HA 0.232 4.872 4.640 -0.000 0.000 0.207 182 D C 0.970 177.320 176.300 0.084 0.000 0.966 182 D CA 0.677 54.736 54.000 0.100 0.000 0.868 182 D CB 0.277 41.111 40.800 0.058 0.000 0.943 182 D HN 0.671 nan 8.370 nan 0.000 0.514 183 G N -0.480 108.380 108.800 0.101 0.000 2.489 183 G HA2 0.532 4.492 3.960 -0.000 0.000 0.305 183 G HA3 0.532 4.492 3.960 -0.000 0.000 0.305 183 G C -1.780 173.165 174.900 0.075 0.000 1.311 183 G CA -0.786 44.344 45.100 0.050 0.000 0.813 183 G HN 0.004 nan 8.290 nan 0.000 0.480 184 I N 0.033 120.619 120.570 0.027 0.000 2.582 184 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 184 I C -1.165 174.958 176.117 0.009 0.000 1.066 184 I CA -0.882 60.441 61.300 0.038 0.000 1.053 184 I CB 2.313 40.331 38.000 0.030 0.000 1.241 184 I HN 0.394 nan 8.210 nan 0.000 0.421 185 L N 7.039 128.271 121.223 0.016 0.000 2.280 185 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 185 L C -1.262 175.607 176.870 -0.002 0.000 1.023 185 L CA -0.440 54.402 54.840 0.004 0.000 0.819 185 L CB 1.377 43.438 42.059 0.003 0.000 1.212 185 L HN 0.519 nan 8.230 nan 0.000 0.420 186 L N 5.551 126.775 121.223 0.001 0.000 2.272 186 L HA 0.787 5.127 4.340 -0.000 0.000 0.289 186 L C -0.222 176.651 176.870 0.006 0.000 1.032 186 L CA 0.377 55.220 54.840 0.005 0.000 0.810 186 L CB 1.338 43.404 42.059 0.011 0.000 1.205 186 L HN 0.836 nan 8.230 nan 0.000 0.422 187 S N 2.180 117.878 115.700 -0.003 0.000 2.671 187 S HA 0.478 4.948 4.470 -0.000 0.000 0.299 187 S C 0.079 174.687 174.600 0.014 0.000 1.116 187 S CA -0.487 57.710 58.200 -0.005 0.000 0.912 187 S CB 1.201 64.362 63.200 -0.065 0.000 1.130 187 S HN 0.920 nan 8.310 nan 0.000 0.501 188 C N 0.980 120.284 119.300 0.006 0.000 3.563 188 C HA -0.067 4.393 4.460 -0.000 0.000 0.284 188 C C 1.479 176.470 174.990 0.002 0.000 1.356 188 C CA 0.632 59.638 59.018 -0.020 0.000 2.166 188 C CB -2.479 25.253 27.740 -0.013 0.000 1.399 188 C HN 1.190 nan 8.230 nan 0.000 0.583 189 G N -0.217 108.583 108.800 0.001 0.000 3.284 189 G HA2 0.533 4.493 3.960 -0.000 0.000 0.236 189 G HA3 0.533 4.493 3.960 -0.000 0.000 0.236 189 G C 0.859 175.758 174.900 -0.002 0.000 1.158 189 G CA 1.016 46.122 45.100 0.010 0.000 0.774 189 G HN 1.927 nan 8.290 nan 0.000 0.545 190 G N -0.307 108.481 108.800 -0.020 0.000 2.725 190 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.220 190 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.220 190 G C 0.825 175.709 174.900 -0.027 0.000 1.357 190 G CA -0.253 44.832 45.100 -0.026 0.000 0.866 190 G HN 0.343 nan 8.290 nan 0.000 0.548 191 L N -0.470 120.736 121.223 -0.028 0.000 2.191 191 L HA 0.119 4.459 4.340 -0.000 0.000 0.212 191 L C 0.979 177.823 176.870 -0.043 0.000 1.103 191 L CA 1.211 56.031 54.840 -0.033 0.000 0.769 191 L CB -0.407 41.634 42.059 -0.030 0.000 0.908 191 L HN 0.340 nan 8.230 nan 0.000 0.438 192 L N -1.136 120.064 121.223 -0.037 0.000 2.441 192 L HA 0.245 4.585 4.340 -0.000 0.000 0.270 192 L C 0.491 177.343 176.870 -0.030 0.000 0.973 192 L CA -0.172 54.639 54.840 -0.048 0.000 0.842 192 L CB 1.792 43.824 42.059 -0.044 0.000 1.239 192 L HN -0.115 nan 8.230 nan 0.000 0.406 193 T N -1.887 112.646 114.554 -0.035 0.000 2.958 193 T HA 0.219 4.569 4.350 -0.000 0.000 0.256 193 T C 1.433 176.136 174.700 0.006 0.000 0.983 193 T CA -0.125 61.970 62.100 -0.007 0.000 0.924 193 T CB 0.197 69.068 68.868 0.005 0.000 1.136 193 T HN 0.349 nan 8.240 nan 0.000 0.506 194 L N 1.448 122.652 121.223 -0.032 0.000 2.043 194 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 194 L C 2.217 179.179 176.870 0.154 0.000 1.075 194 L CA 1.751 56.582 54.840 -0.014 0.000 0.752 194 L CB -0.545 41.334 42.059 -0.300 0.000 0.891 194 L HN 0.225 nan 8.230 nan 0.000 0.432 195 D N -0.183 120.295 120.400 0.130 0.000 2.219 195 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 195 D C 2.137 178.484 176.300 0.078 0.000 0.970 195 D CA 1.239 55.321 54.000 0.136 0.000 0.851 195 D CB 0.048 40.899 40.800 0.084 0.000 0.943 195 D HN 0.331 nan 8.370 nan 0.000 0.488 196 A N 0.395 123.248 122.820 0.056 0.000 1.968 196 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 196 A C 2.263 179.862 177.584 0.024 0.000 1.169 196 A CA 0.467 52.522 52.037 0.030 0.000 0.638 196 A CB -0.487 18.525 19.000 0.020 0.000 0.812 196 A HN 0.167 nan 8.150 nan 0.000 0.446 197 I N 0.689 121.287 120.570 0.047 0.000 2.069 197 I HA -0.207 3.963 4.170 -0.000 0.000 0.237 197 I C -0.275 175.842 176.117 0.001 0.000 1.053 197 I CA 1.928 63.243 61.300 0.025 0.000 1.311 197 I CB -1.353 36.682 38.000 0.058 0.000 1.030 197 I HN 0.256 nan 8.210 nan 0.000 0.398 198 P HA -0.180 nan 4.420 nan 0.000 0.218 198 P C 1.328 178.608 177.300 -0.034 0.000 1.149 198 P CA 1.612 64.701 63.100 -0.018 0.000 0.817 198 P CB 0.026 31.709 31.700 -0.027 0.000 0.785 199 E N 0.492 120.678 120.200 -0.023 0.000 2.072 199 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 199 E C 1.991 178.566 176.600 -0.041 0.000 0.985 199 E CA 0.937 57.319 56.400 -0.029 0.000 0.801 199 E CB -1.246 28.444 29.700 -0.017 0.000 0.750 199 E HN -0.077 nan 8.360 nan 0.000 0.452 200 V N 1.166 121.054 119.914 -0.043 0.000 2.295 200 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 200 V C 2.157 178.189 176.094 -0.104 0.000 1.049 200 V CA 2.298 64.558 62.300 -0.066 0.000 1.024 200 V CB -0.571 31.216 31.823 -0.059 0.000 0.648 200 V HN 0.322 nan 8.190 nan 0.000 0.447 201 E N -0.218 119.924 120.200 -0.098 0.000 2.110 201 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 201 E C 2.437 178.975 176.600 -0.104 0.000 0.988 201 E CA 1.205 57.535 56.400 -0.116 0.000 0.804 201 E CB -0.225 29.415 29.700 -0.100 0.000 0.745 201 E HN 0.450 nan 8.360 nan 0.000 0.458 202 R N 1.092 121.545 120.500 -0.078 0.000 2.083 202 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 202 R C 2.196 178.454 176.300 -0.069 0.000 1.137 202 R CA 1.433 57.494 56.100 -0.066 0.000 0.951 202 R CB 0.047 30.317 30.300 -0.051 0.000 0.851 202 R HN 0.053 nan 8.270 nan 0.000 0.434 203 R N -0.338 120.117 120.500 -0.074 0.000 2.119 203 R HA 0.021 4.361 4.340 -0.000 0.000 0.222 203 R C 2.094 178.335 176.300 -0.097 0.000 1.088 203 R CA 0.914 56.973 56.100 -0.067 0.000 0.984 203 R CB 0.103 30.373 30.300 -0.051 0.000 0.884 203 R HN 0.288 nan 8.270 nan 0.000 0.447 204 L N -1.780 119.342 121.223 -0.167 0.000 2.500 204 L HA 0.287 4.627 4.340 -0.000 0.000 0.219 204 L C 1.173 177.884 176.870 -0.265 0.000 1.057 204 L CA 0.424 55.091 54.840 -0.288 0.000 0.854 204 L CB 0.268 41.994 42.059 -0.555 0.000 1.078 204 L HN 0.377 nan 8.230 nan 0.000 0.480 205 G N 1.556 110.237 108.800 -0.198 0.000 2.147 205 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 205 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 205 G C 0.089 174.887 174.900 -0.170 0.000 1.005 205 G CA 0.305 45.317 45.100 -0.147 0.000 0.713 205 G HN 0.310 nan 8.290 nan 0.000 0.515 206 V N -3.164 116.600 119.914 -0.250 0.000 2.823 206 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 206 V C -2.276 173.714 176.094 -0.174 0.000 1.072 206 V CA -2.552 59.622 62.300 -0.210 0.000 0.937 206 V CB 2.406 34.060 31.823 -0.281 0.000 1.013 206 V HN 0.091 nan 8.190 nan 0.000 0.430 207 P HA 0.423 nan 4.420 nan 0.000 0.274 207 P C -0.873 176.353 177.300 -0.122 0.000 1.237 207 P CA -0.238 62.784 63.100 -0.129 0.000 0.793 207 P CB 1.437 33.063 31.700 -0.123 0.000 0.977 208 V N 2.148 121.979 119.914 -0.139 0.000 2.540 208 V HA 0.276 4.396 4.120 -0.000 0.000 0.302 208 V C 0.049 176.051 176.094 -0.153 0.000 1.035 208 V CA -0.781 61.451 62.300 -0.113 0.000 0.873 208 V CB 2.267 34.038 31.823 -0.087 0.000 0.992 208 V HN 0.232 nan 8.190 nan 0.000 0.428 209 V N 3.385 123.232 119.914 -0.111 0.000 2.347 209 V HA 0.424 4.543 4.120 -0.000 0.000 0.280 209 V C 0.321 176.394 176.094 -0.036 0.000 1.021 209 V CA -0.165 62.064 62.300 -0.118 0.000 0.847 209 V CB 1.756 33.529 31.823 -0.083 0.000 0.990 209 V HN 0.882 nan 8.190 nan 0.000 0.444 210 S N 2.993 118.691 115.700 -0.004 0.000 2.457 210 S HA 0.240 4.710 4.470 -0.000 0.000 0.289 210 S C 1.479 176.147 174.600 0.115 0.000 1.163 210 S CA -0.024 58.210 58.200 0.057 0.000 1.078 210 S CB 1.298 64.540 63.200 0.070 0.000 0.987 210 S HN 1.005 nan 8.310 nan 0.000 0.482 211 S N 4.213 119.979 115.700 0.109 0.000 2.365 211 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 211 S C 2.059 176.777 174.600 0.198 0.000 1.039 211 S CA 1.803 60.101 58.200 0.163 0.000 1.033 211 S CB -0.916 62.376 63.200 0.153 0.000 0.887 211 S HN 0.688 nan 8.310 nan 0.000 0.447 212 S N 2.775 118.577 115.700 0.170 0.000 2.345 212 S HA 0.090 4.560 4.470 -0.000 0.000 0.219 212 S C -0.801 173.995 174.600 0.327 0.000 1.031 212 S CA 0.861 59.189 58.200 0.212 0.000 0.984 212 S CB -1.367 61.925 63.200 0.152 0.000 0.874 212 S HN 0.410 nan 8.310 nan 0.000 0.451 213 P HA -0.022 nan 4.420 nan 0.000 0.216 213 P C 1.456 179.074 177.300 0.531 0.000 1.150 213 P CA 1.630 64.888 63.100 0.264 0.000 0.843 213 P CB -0.263 31.580 31.700 0.238 0.000 0.787 214 A N -0.198 122.927 122.820 0.508 0.000 1.940 214 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 214 A C 2.493 180.417 177.584 0.567 0.000 1.176 214 A CA 2.108 54.470 52.037 0.543 0.000 0.631 214 A CB -1.890 17.297 19.000 0.311 0.000 0.814 214 A HN 0.292 nan 8.150 nan 0.000 0.446 215 G N -1.381 107.648 108.800 0.383 0.000 2.422 215 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 215 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 215 G C 1.338 176.337 174.900 0.166 0.000 1.146 215 G CA 1.028 46.260 45.100 0.220 0.000 0.769 215 G HN 0.419 nan 8.290 nan 0.000 0.547 216 F N -0.516 119.543 119.950 0.182 0.000 2.075 216 F HA 0.008 4.535 4.527 -0.000 0.000 0.297 216 F C 2.404 178.368 175.800 0.273 0.000 1.113 216 F CA 1.312 59.417 58.000 0.174 0.000 1.218 216 F CB -0.640 38.428 39.000 0.113 0.000 0.984 216 F HN 0.332 nan 8.300 nan 0.000 0.472 217 W N 1.570 123.124 121.300 0.422 0.000 2.335 217 W HA -0.276 4.384 4.660 -0.000 0.000 0.311 217 W C 2.201 178.850 176.519 0.216 0.000 1.213 217 W CA 2.144 59.734 57.345 0.409 0.000 1.274 217 W CB -0.710 29.127 29.460 0.628 0.000 1.148 217 W HN 0.170 nan 8.180 nan 0.000 0.498 218 D N 0.011 120.482 120.400 0.118 0.000 2.117 218 D HA -0.193 4.446 4.640 -0.000 0.000 0.197 218 D C 2.263 178.441 176.300 -0.203 0.000 0.987 218 D CA 2.382 56.238 54.000 -0.240 0.000 0.829 218 D CB -0.528 40.293 40.800 0.035 0.000 0.961 218 D HN 0.151 nan 8.370 nan 0.000 0.460 219 A N -0.116 122.646 122.820 -0.096 0.000 1.902 219 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 219 A C 2.495 179.979 177.584 -0.165 0.000 1.181 219 A CA 1.549 53.514 52.037 -0.119 0.000 0.623 219 A CB -0.861 18.080 19.000 -0.099 0.000 0.818 219 A HN 0.221 nan 8.150 nan 0.000 0.443 220 V N -0.063 119.731 119.914 -0.201 0.000 2.343 220 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 220 V C 2.647 178.590 176.094 -0.250 0.000 1.051 220 V CA 2.282 64.404 62.300 -0.297 0.000 1.036 220 V CB -0.819 30.663 31.823 -0.569 0.000 0.654 220 V HN 0.517 nan 8.190 nan 0.000 0.451 221 R N -0.725 119.594 120.500 -0.301 0.000 2.073 221 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 221 R C 2.271 178.441 176.300 -0.216 0.000 1.134 221 R CA 1.541 57.462 56.100 -0.298 0.000 0.952 221 R CB -0.587 29.410 30.300 -0.505 0.000 0.850 221 R HN 0.357 nan 8.270 nan 0.000 0.433 222 L N 0.828 121.925 121.223 -0.209 0.000 2.081 222 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 222 L C 2.187 178.981 176.870 -0.127 0.000 1.080 222 L CA 1.991 56.741 54.840 -0.150 0.000 0.754 222 L CB -0.598 41.382 42.059 -0.132 0.000 0.893 222 L HN 0.164 nan 8.230 nan 0.000 0.433 223 A N -1.170 121.565 122.820 -0.141 0.000 2.019 223 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 223 A C 1.990 179.509 177.584 -0.108 0.000 1.164 223 A CA 1.369 53.328 52.037 -0.130 0.000 0.644 223 A CB -0.983 17.920 19.000 -0.162 0.000 0.805 223 A HN 0.922 nan 8.150 nan 0.000 0.449 224 G N -2.905 105.831 108.800 -0.106 0.000 2.176 224 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.253 224 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.253 224 G C 1.278 176.139 174.900 -0.064 0.000 0.979 224 G CA 0.764 45.817 45.100 -0.079 0.000 0.641 224 G HN 1.351 nan 8.290 nan 0.000 0.530 225 G N 0.137 108.893 108.800 -0.074 0.000 2.484 225 G HA2 0.426 4.386 3.960 -0.000 0.000 0.218 225 G HA3 0.426 4.386 3.960 -0.000 0.000 0.218 225 G C 1.847 176.730 174.900 -0.028 0.000 1.130 225 G CA 1.810 46.877 45.100 -0.054 0.000 0.784 225 G HN 2.081 nan 8.290 nan 0.000 0.543 226 G N -0.884 107.902 108.800 -0.024 0.000 2.153 226 G HA2 0.092 4.052 3.960 -0.000 0.000 0.252 226 G HA3 0.092 4.052 3.960 -0.000 0.000 0.252 226 G C 0.494 175.423 174.900 0.048 0.000 0.994 226 G CA 0.394 45.501 45.100 0.012 0.000 0.698 226 G HN 1.409 nan 8.290 nan 0.000 0.521 227 A N -0.234 122.613 122.820 0.045 0.000 2.488 227 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 227 A C 0.661 178.383 177.584 0.231 0.000 1.083 227 A CA 0.612 52.717 52.037 0.112 0.000 0.768 227 A CB 0.325 19.374 19.000 0.082 0.000 1.017 227 A HN 0.494 nan 8.150 nan 0.000 0.496 228 K N 1.640 122.186 120.400 0.244 0.000 2.110 228 K HA 0.563 4.882 4.320 -0.000 0.000 0.263 228 K C 0.399 177.168 176.600 0.282 0.000 0.975 228 K CA -0.225 56.230 56.287 0.280 0.000 0.895 228 K CB 1.681 34.289 32.500 0.180 0.000 1.060 228 K HN 0.831 nan 8.250 nan 0.000 0.448 229 A N 2.504 125.437 122.820 0.188 0.000 2.448 229 A HA 0.103 4.423 4.320 -0.000 0.000 0.239 229 A C 0.028 177.561 177.584 -0.085 0.000 1.080 229 A CA -0.130 51.741 52.037 -0.277 0.000 0.779 229 A CB 0.237 19.055 19.000 -0.302 0.000 1.026 229 A HN 0.661 nan 8.150 nan 0.000 0.499 230 R N 1.072 121.494 120.500 -0.129 0.000 2.623 230 R HA 0.161 4.501 4.340 -0.000 0.000 0.271 230 R C -2.225 174.130 176.300 0.092 0.000 1.043 230 R CA -0.841 55.274 56.100 0.024 0.000 1.083 230 R CB -0.091 30.257 30.300 0.079 0.000 0.974 230 R HN 0.572 nan 8.270 nan 0.000 0.436 231 P HA 0.090 nan 4.420 nan 0.000 0.276 231 P C 0.368 177.595 177.300 -0.122 0.000 1.244 231 P CA 0.004 63.108 63.100 0.007 0.000 0.801 231 P CB 0.922 32.617 31.700 -0.007 0.000 1.006 232 G N 0.519 109.242 108.800 -0.128 0.000 2.184 232 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.206 232 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.206 232 G C 0.007 174.703 174.900 -0.340 0.000 0.995 232 G CA -0.331 44.605 45.100 -0.272 0.000 0.651 232 G HN 0.463 nan 8.290 nan 0.000 0.511 233 Y N 1.341 121.672 120.300 0.052 0.000 2.658 233 Y HA 0.493 5.043 4.550 -0.000 0.000 0.276 233 Y C 1.487 177.452 175.900 0.108 0.000 1.167 233 Y CA 0.416 58.578 58.100 0.104 0.000 1.230 233 Y CB 0.584 39.136 38.460 0.154 0.000 1.144 233 Y HN 1.138 nan 8.280 nan 0.000 0.529 234 G N -0.291 108.572 108.800 0.105 0.000 2.541 234 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 234 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 234 G C 0.486 175.333 174.900 -0.089 0.000 1.286 234 G CA -0.704 44.383 45.100 -0.022 0.000 0.894 234 G HN 0.165 nan 8.290 nan 0.000 0.575 235 R N -0.513 119.902 120.500 -0.143 0.000 2.094 235 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 235 R C 2.791 178.970 176.300 -0.203 0.000 1.137 235 R CA 1.964 57.979 56.100 -0.141 0.000 0.943 235 R CB -0.425 29.793 30.300 -0.137 0.000 0.850 235 R HN 0.503 nan 8.270 nan 0.000 0.433 236 L N 0.373 121.351 121.223 -0.409 0.000 2.042 236 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 236 L C 1.884 178.487 176.870 -0.445 0.000 1.076 236 L CA 1.821 56.298 54.840 -0.605 0.000 0.749 236 L CB -0.307 41.119 42.059 -1.055 0.000 0.893 236 L HN 0.016 nan 8.230 nan 0.000 0.432 237 F N -0.915 118.956 119.950 -0.132 0.000 2.387 237 F HA 0.011 4.538 4.527 -0.000 0.000 0.294 237 F C 2.270 178.100 175.800 0.050 0.000 1.093 237 F CA 0.436 58.431 58.000 -0.010 0.000 1.420 237 F CB -1.111 37.896 39.000 0.011 0.000 1.086 237 F HN 0.085 nan 8.300 nan 0.000 0.531 238 D N 0.380 120.878 120.400 0.162 0.000 2.178 238 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 238 D C 1.757 178.115 176.300 0.098 0.000 0.980 238 D CA 1.218 55.280 54.000 0.105 0.000 0.842 238 D CB -0.192 40.633 40.800 0.042 0.000 0.948 238 D HN 0.393 nan 8.370 nan 0.000 0.472 239 E N -0.495 119.756 120.200 0.085 0.000 2.472 239 E HA 0.104 4.454 4.350 -0.000 0.000 0.196 239 E C 0.563 177.257 176.600 0.156 0.000 1.033 239 E CA -0.095 56.358 56.400 0.089 0.000 0.886 239 E CB 0.730 30.457 29.700 0.045 0.000 0.944 239 E HN -0.069 nan 8.360 nan 0.000 0.492 240 S N 0.000 115.846 115.700 0.244 0.000 2.498 240 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 240 S CA 0.000 58.413 58.200 0.356 0.000 1.107 240 S CB 0.000 63.619 63.200 0.698 0.000 0.593 240 S HN 0.000 nan 8.310 nan 0.000 0.517