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 2qjk_1_A DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.872 174.900 -0.047 0.000 0.946 3 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 4 I N 1.546 122.054 120.570 -0.103 0.000 2.499 4 I HA 0.467 4.637 4.170 -0.000 0.000 0.296 4 I C -2.086 173.974 176.117 -0.095 0.000 0.992 4 I CA -2.600 58.643 61.300 -0.094 0.000 1.297 4 I CB 1.011 38.944 38.000 -0.111 0.000 1.410 4 I HN -0.177 nan 8.210 nan 0.000 0.507 5 P HA 0.295 nan 4.420 nan 0.000 0.275 5 P C -0.846 176.575 177.300 0.202 0.000 1.228 5 P CA 0.357 63.521 63.100 0.107 0.000 0.786 5 P CB 0.582 32.325 31.700 0.072 0.000 0.927 6 H N -0.340 118.740 119.070 0.017 0.000 3.570 6 H HA 0.474 5.030 4.556 -0.000 0.000 0.299 6 H C -1.796 173.549 175.328 0.028 0.000 1.549 6 H CA -0.913 55.161 56.048 0.044 0.000 1.208 6 H CB -0.263 29.541 29.762 0.070 0.000 1.789 6 H HN 0.376 nan 8.280 nan 0.000 0.838 7 D N -0.486 119.737 120.400 -0.295 0.000 2.886 7 D HA 0.284 4.924 4.640 -0.000 0.000 0.216 7 D C -0.696 175.545 176.300 -0.098 0.000 1.256 7 D CA -0.650 53.188 54.000 -0.270 0.000 0.844 7 D CB 1.269 42.066 40.800 -0.004 0.000 1.669 7 D HN 0.812 nan 8.370 nan 0.000 0.513 8 H N -0.539 118.484 119.070 -0.079 0.000 2.505 8 H HA 0.349 4.905 4.556 -0.000 0.000 0.355 8 H C -0.317 174.947 175.328 -0.107 0.000 1.179 8 H CA -1.210 54.886 56.048 0.081 0.000 1.343 8 H CB 0.719 30.519 29.762 0.064 0.000 1.501 8 H HN 0.522 nan 8.280 nan 0.000 0.569 9 Y N 1.016 121.023 120.300 -0.488 0.000 2.861 9 Y HA -0.014 4.536 4.550 -0.000 0.000 0.344 9 Y C -0.392 175.277 175.900 -0.386 0.000 1.272 9 Y CA 0.296 57.870 58.100 -0.878 0.000 1.502 9 Y CB 0.509 38.488 38.460 -0.802 0.000 1.333 9 Y HN 0.782 nan 8.280 nan 0.000 0.634 10 E N 5.934 125.599 120.200 -0.892 0.000 2.294 10 E HA 0.418 4.768 4.350 -0.000 0.000 0.272 10 E C -2.938 173.107 176.600 -0.925 0.000 0.896 10 E CA -2.461 53.457 56.400 -0.804 0.000 0.802 10 E CB 1.383 30.835 29.700 -0.414 0.000 1.267 10 E HN 0.374 nan 8.360 nan 0.000 0.406 11 P HA 0.088 nan 4.420 nan 0.000 0.264 11 P C 0.051 177.182 177.300 -0.282 0.000 1.183 11 P CA -0.094 62.682 63.100 -0.541 0.000 0.763 11 P CB 0.805 32.295 31.700 -0.351 0.000 0.807 12 R N 0.891 121.304 120.500 -0.145 0.000 2.107 12 R HA 0.174 4.514 4.340 -0.000 0.000 0.195 12 R C 0.583 176.865 176.300 -0.030 0.000 1.214 12 R CA 0.793 56.847 56.100 -0.076 0.000 1.129 12 R CB -1.082 29.194 30.300 -0.039 0.000 1.045 12 R HN 0.370 nan 8.270 nan 0.000 0.489 13 T N 0.400 114.958 114.554 0.006 0.000 2.795 13 T HA 0.145 4.495 4.350 -0.000 0.000 0.314 13 T C 1.501 176.219 174.700 0.031 0.000 1.069 13 T CA 0.462 62.575 62.100 0.021 0.000 1.071 13 T CB 0.976 69.867 68.868 0.039 0.000 0.988 13 T HN 0.409 nan 8.240 nan 0.000 0.543 14 G N 0.476 109.294 108.800 0.029 0.000 2.421 14 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 14 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 14 G C 1.502 176.464 174.900 0.104 0.000 1.171 14 G CA 0.456 45.584 45.100 0.047 0.000 0.775 14 G HN 0.746 nan 8.290 nan 0.000 0.543 15 I N 0.633 121.251 120.570 0.080 0.000 2.194 15 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 15 I C 2.759 179.015 176.117 0.232 0.000 1.093 15 I CA 1.489 62.869 61.300 0.133 0.000 1.355 15 I CB -0.311 37.733 38.000 0.072 0.000 1.046 15 I HN 0.281 nan 8.210 nan 0.000 0.413 16 E N 1.047 121.347 120.200 0.167 0.000 2.031 16 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 16 E C 2.198 178.906 176.600 0.180 0.000 0.994 16 E CA 1.296 57.810 56.400 0.190 0.000 0.800 16 E CB -0.055 29.734 29.700 0.149 0.000 0.752 16 E HN 0.464 nan 8.360 nan 0.000 0.447 17 K N -0.167 120.299 120.400 0.109 0.000 2.152 17 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 17 K C 1.837 178.525 176.600 0.145 0.000 1.048 17 K CA 1.309 57.636 56.287 0.066 0.000 0.933 17 K CB -0.221 32.294 32.500 0.024 0.000 0.721 17 K HN 0.257 nan 8.250 nan 0.000 0.447 18 W N 1.479 122.794 121.300 0.025 0.000 2.407 18 W HA -0.129 4.531 4.660 -0.000 0.000 0.305 18 W C 1.817 178.363 176.519 0.044 0.000 1.196 18 W CA 0.703 58.063 57.345 0.026 0.000 1.311 18 W CB -0.335 29.134 29.460 0.016 0.000 1.135 18 W HN -0.051 nan 8.180 nan 0.000 0.514 19 L N 0.378 121.733 121.223 0.221 0.000 2.017 19 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 19 L C 2.769 179.620 176.870 -0.031 0.000 1.073 19 L CA 2.512 57.379 54.840 0.045 0.000 0.745 19 L CB -1.663 40.517 42.059 0.202 0.000 0.894 19 L HN 0.185 nan 8.230 nan 0.000 0.432 20 H N -0.541 118.526 119.070 -0.005 0.000 2.387 20 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 20 H C 2.125 177.402 175.328 -0.084 0.000 1.099 20 H CA 1.699 57.740 56.048 -0.010 0.000 1.315 20 H CB 0.027 29.795 29.762 0.011 0.000 1.380 20 H HN 0.568 nan 8.280 nan 0.000 0.513 21 S N -0.071 115.680 115.700 0.085 0.000 2.474 21 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 21 S C 2.036 176.552 174.600 -0.139 0.000 0.997 21 S CA 0.669 58.869 58.200 0.000 0.000 0.949 21 S CB 0.095 63.262 63.200 -0.055 0.000 0.766 21 S HN 0.427 nan 8.310 nan 0.000 0.517 22 R N -0.509 119.848 120.500 -0.238 0.000 2.140 22 R HA 0.471 4.811 4.340 -0.000 0.000 0.200 22 R C -0.482 175.688 176.300 -0.216 0.000 1.069 22 R CA 0.178 56.114 56.100 -0.274 0.000 1.088 22 R CB 0.097 30.125 30.300 -0.454 0.000 1.012 22 R HN 0.333 nan 8.270 nan 0.000 0.500 23 L N 2.508 123.603 121.223 -0.214 0.000 2.573 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.260 23 L C -2.553 174.203 176.870 -0.190 0.000 0.997 23 L CA -1.844 52.890 54.840 -0.177 0.000 0.890 23 L CB 2.020 43.997 42.059 -0.136 0.000 1.179 23 L HN -0.114 nan 8.230 nan 0.000 0.439 24 P HA -0.020 nan 4.420 nan 0.000 0.286 24 P C 1.321 178.518 177.300 -0.173 0.000 1.577 24 P CA 0.372 63.267 63.100 -0.343 0.000 0.805 24 P CB -0.063 31.345 31.700 -0.488 0.000 1.706 25 I N -0.317 120.176 120.570 -0.128 0.000 2.361 25 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 25 I C 1.734 177.782 176.117 -0.115 0.000 1.133 25 I CA 1.158 62.395 61.300 -0.106 0.000 1.413 25 I CB 0.211 38.162 38.000 -0.082 0.000 1.073 25 I HN -0.142 nan 8.210 nan 0.000 0.424 26 V N 1.260 121.096 119.914 -0.130 0.000 2.453 26 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 26 V C 2.742 178.568 176.094 -0.446 0.000 1.048 26 V CA 1.529 63.672 62.300 -0.262 0.000 1.049 26 V CB -1.177 30.483 31.823 -0.272 0.000 0.672 26 V HN 0.560 nan 8.190 nan 0.000 0.457 27 A N 0.288 122.942 122.820 -0.277 0.000 1.851 27 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 27 A C 2.195 179.795 177.584 0.026 0.000 1.195 27 A CA 2.284 54.291 52.037 -0.049 0.000 0.622 27 A CB -0.745 18.388 19.000 0.221 0.000 0.831 27 A HN 0.423 nan 8.150 nan 0.000 0.444 28 L N -0.187 121.026 121.223 -0.016 0.000 1.978 28 L HA -0.228 4.112 4.340 -0.000 0.000 0.218 28 L C 2.822 179.682 176.870 -0.017 0.000 1.075 28 L CA 2.628 57.458 54.840 -0.018 0.000 0.767 28 L CB -0.847 41.164 42.059 -0.081 0.000 0.890 28 L HN 0.415 nan 8.230 nan 0.000 0.434 29 A N -1.646 121.140 122.820 -0.057 0.000 1.927 29 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 29 A C 2.269 179.854 177.584 0.002 0.000 1.185 29 A CA 2.247 54.255 52.037 -0.049 0.000 0.639 29 A CB -1.330 17.623 19.000 -0.079 0.000 0.820 29 A HN 0.696 nan 8.150 nan 0.000 0.451 30 Y N 1.305 121.525 120.300 -0.133 0.000 2.049 30 Y HA -0.255 4.295 4.550 -0.000 0.000 0.277 30 Y C 1.985 177.936 175.900 0.085 0.000 1.143 30 Y CA 2.271 60.336 58.100 -0.057 0.000 1.115 30 Y CB -0.396 37.996 38.460 -0.112 0.000 0.975 30 Y HN 0.382 nan 8.280 nan 0.000 0.487 31 D N -0.769 119.757 120.400 0.210 0.000 2.228 31 D HA -0.180 4.460 4.640 -0.000 0.000 0.203 31 D C 1.979 178.346 176.300 0.112 0.000 0.988 31 D CA 1.858 55.966 54.000 0.181 0.000 0.864 31 D CB -0.393 40.574 40.800 0.280 0.000 0.928 31 D HN 0.435 nan 8.370 nan 0.000 0.469 32 T N 0.337 114.917 114.554 0.044 0.000 2.937 32 T HA -0.017 4.333 4.350 -0.000 0.000 0.260 32 T C 1.762 176.550 174.700 0.147 0.000 1.051 32 T CA 0.083 62.185 62.100 0.003 0.000 1.141 32 T CB 0.163 68.954 68.868 -0.129 0.000 0.879 32 T HN 0.024 nan 8.240 nan 0.000 0.459 33 I N 0.502 121.147 120.570 0.125 0.000 3.728 33 I HA 0.253 4.423 4.170 -0.000 0.000 0.307 33 I C 1.116 177.426 176.117 0.323 0.000 1.276 33 I CA 0.567 62.044 61.300 0.295 0.000 1.285 33 I CB -0.003 38.109 38.000 0.187 0.000 1.038 33 I HN 0.100 nan 8.210 nan 0.000 0.445 34 M N -0.299 119.341 119.600 0.066 0.000 2.313 34 M HA 0.298 4.778 4.480 -0.000 0.000 0.273 34 M C 0.667 177.061 176.300 0.157 0.000 1.049 34 M CA -0.201 55.114 55.300 0.025 0.000 1.004 34 M CB -0.158 32.121 32.600 -0.535 0.000 1.461 34 M HN 0.003 nan 8.290 nan 0.000 0.514 35 I N 4.996 125.673 120.570 0.178 0.000 2.845 35 I HA -0.010 4.160 4.170 -0.000 0.000 0.296 35 I C -1.725 174.475 176.117 0.137 0.000 1.216 35 I CA -0.834 60.531 61.300 0.108 0.000 1.438 35 I CB 0.896 38.883 38.000 -0.022 0.000 1.342 35 I HN -0.029 nan 8.210 nan 0.000 0.577 36 P HA 0.105 nan 4.420 nan 0.000 0.271 36 P C -1.207 176.133 177.300 0.067 0.000 1.226 36 P CA -0.042 63.107 63.100 0.081 0.000 0.765 36 P CB 0.624 32.336 31.700 0.021 0.000 0.835 37 T N 5.312 119.961 114.554 0.158 0.000 2.848 37 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 37 T C -2.602 172.164 174.700 0.111 0.000 0.995 37 T CA -1.899 60.292 62.100 0.152 0.000 0.970 37 T CB 1.204 70.269 68.868 0.328 0.000 0.976 37 T HN 0.265 nan 8.240 nan 0.000 0.441 38 P HA -0.015 nan 4.420 nan 0.000 0.261 38 P C 0.461 177.685 177.300 -0.126 0.000 1.158 38 P CA 0.257 63.277 63.100 -0.133 0.000 0.758 38 P CB 0.809 32.390 31.700 -0.199 0.000 0.763 39 R N 2.799 123.096 120.500 -0.339 0.000 2.115 39 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 39 R C 1.849 177.876 176.300 -0.456 0.000 1.111 39 R CA 1.445 57.165 56.100 -0.633 0.000 0.976 39 R CB -0.500 28.893 30.300 -1.511 0.000 0.870 39 R HN 0.580 nan 8.270 nan 0.000 0.445 40 N N 1.517 120.036 118.700 -0.301 0.000 2.512 40 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 40 N C 0.266 175.615 175.510 -0.267 0.000 1.073 40 N CA 0.403 53.368 53.050 -0.142 0.000 0.911 40 N CB -0.335 38.097 38.487 -0.091 0.000 0.964 40 N HN 0.162 nan 8.380 nan 0.000 0.447 41 L N 2.040 123.016 121.223 -0.412 0.000 2.653 41 L HA -0.135 4.205 4.340 -0.000 0.000 0.288 41 L C 0.669 177.294 176.870 -0.409 0.000 1.243 41 L CA 0.099 54.501 54.840 -0.730 0.000 0.906 41 L CB -0.374 41.203 42.059 -0.804 0.000 1.154 41 L HN 0.360 nan 8.230 nan 0.000 0.498 42 N N 1.454 119.933 118.700 -0.369 0.000 2.643 42 N HA 0.163 4.903 4.740 -0.000 0.000 0.305 42 N C 0.259 175.858 175.510 0.148 0.000 1.283 42 N CA -0.675 52.306 53.050 -0.115 0.000 0.946 42 N CB 0.083 38.600 38.487 0.050 0.000 1.149 42 N HN 0.491 nan 8.380 nan 0.000 0.600 43 W N -1.226 120.206 121.300 0.221 0.000 2.632 43 W HA 0.061 4.721 4.660 -0.000 0.000 0.248 43 W C 1.124 177.801 176.519 0.262 0.000 1.259 43 W CA -0.181 57.279 57.345 0.191 0.000 1.288 43 W CB 0.002 29.561 29.460 0.166 0.000 1.136 43 W HN 0.288 nan 8.180 nan 0.000 0.640 44 M N -1.184 118.816 119.600 0.667 0.000 2.563 44 M HA -0.025 4.455 4.480 -0.000 0.000 0.231 44 M C 0.824 177.421 176.300 0.494 0.000 1.136 44 M CA 0.600 56.296 55.300 0.660 0.000 1.026 44 M CB -0.844 32.089 32.600 0.555 0.000 1.597 44 M HN 0.310 nan 8.290 nan 0.000 0.495 45 W N 0.208 121.592 121.300 0.141 0.000 3.220 45 W HA 0.138 4.798 4.660 -0.000 0.000 0.328 45 W C 1.657 178.180 176.519 0.006 0.000 1.205 45 W CA 0.131 57.510 57.345 0.057 0.000 1.773 45 W CB 0.306 29.718 29.460 -0.081 0.000 1.086 45 W HN 0.226 nan 8.180 nan 0.000 0.622 46 I N -3.170 117.428 120.570 0.046 0.000 2.761 46 I HA -0.093 4.077 4.170 -0.000 0.000 0.261 46 I C 1.789 177.729 176.117 -0.294 0.000 1.198 46 I CA 0.967 62.177 61.300 -0.151 0.000 1.482 46 I CB -0.733 37.083 38.000 -0.306 0.000 1.100 46 I HN -0.192 nan 8.210 nan 0.000 0.445 47 W N 2.320 123.701 121.300 0.136 0.000 2.342 47 W HA -0.047 4.613 4.660 -0.000 0.000 0.297 47 W C 2.715 179.186 176.519 -0.081 0.000 1.213 47 W CA 1.285 58.665 57.345 0.059 0.000 1.251 47 W CB -0.901 28.634 29.460 0.124 0.000 1.136 47 W HN 0.219 nan 8.180 nan 0.000 0.526 48 G N 0.313 109.140 108.800 0.045 0.000 2.476 48 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 48 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 48 G C 1.530 176.443 174.900 0.023 0.000 1.164 48 G CA 1.725 46.762 45.100 -0.105 0.000 0.768 48 G HN 0.181 nan 8.290 nan 0.000 0.560 49 V N 0.449 120.408 119.914 0.075 0.000 2.358 49 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 49 V C 3.115 179.259 176.094 0.085 0.000 1.047 49 V CA 1.529 63.893 62.300 0.107 0.000 1.035 49 V CB -0.122 31.777 31.823 0.126 0.000 0.658 49 V HN 0.264 nan 8.190 nan 0.000 0.452 50 V N -0.202 119.734 119.914 0.037 0.000 2.453 50 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 50 V C 2.241 178.397 176.094 0.103 0.000 1.068 50 V CA 1.971 64.304 62.300 0.055 0.000 1.070 50 V CB -0.703 31.186 31.823 0.110 0.000 0.664 50 V HN 0.443 nan 8.190 nan 0.000 0.461 51 L N -0.132 121.146 121.223 0.091 0.000 2.005 51 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 51 L C 2.813 179.660 176.870 -0.039 0.000 1.072 51 L CA 1.466 56.346 54.840 0.067 0.000 0.744 51 L CB -0.874 41.228 42.059 0.072 0.000 0.895 51 L HN 0.332 nan 8.230 nan 0.000 0.433 52 A N 0.312 123.153 122.820 0.035 0.000 1.870 52 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 52 A C 2.198 179.754 177.584 -0.046 0.000 1.224 52 A CA 2.364 54.417 52.037 0.028 0.000 0.650 52 A CB -1.286 17.779 19.000 0.107 0.000 0.836 52 A HN 0.427 nan 8.150 nan 0.000 0.454 53 F N 0.478 120.361 119.950 -0.111 0.000 2.063 53 F HA -0.330 4.197 4.527 -0.000 0.000 0.298 53 F C 2.581 178.226 175.800 -0.258 0.000 1.109 53 F CA 1.942 59.863 58.000 -0.131 0.000 1.212 53 F CB -0.827 38.114 39.000 -0.098 0.000 0.973 53 F HN 0.340 nan 8.300 nan 0.000 0.480 54 C N 0.079 119.225 119.300 -0.256 0.000 2.401 54 C HA -0.202 4.258 4.460 -0.000 0.000 0.276 54 C C 2.660 177.130 174.990 -0.867 0.000 1.233 54 C CA 1.096 59.730 59.018 -0.639 0.000 1.753 54 C CB -1.562 25.619 27.740 -0.933 0.000 2.029 54 C HN 0.666 nan 8.230 nan 0.000 0.478 55 L N 0.879 121.618 121.223 -0.807 0.000 1.989 55 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 55 L C 2.519 179.156 176.870 -0.388 0.000 1.071 55 L CA 2.017 56.522 54.840 -0.558 0.000 0.749 55 L CB -0.905 40.995 42.059 -0.265 0.000 0.890 55 L HN 0.228 nan 8.230 nan 0.000 0.431 56 V N -0.552 119.150 119.914 -0.352 0.000 2.237 56 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 56 V C 2.496 178.381 176.094 -0.349 0.000 1.046 56 V CA 1.734 63.857 62.300 -0.296 0.000 1.007 56 V CB -0.958 30.701 31.823 -0.272 0.000 0.638 56 V HN 0.548 nan 8.190 nan 0.000 0.445 57 L N 0.350 121.244 121.223 -0.548 0.000 1.991 57 L HA -0.276 4.064 4.340 -0.000 0.000 0.221 57 L C 2.544 179.277 176.870 -0.228 0.000 1.079 57 L CA 2.175 56.744 54.840 -0.451 0.000 0.778 57 L CB -1.022 40.682 42.059 -0.591 0.000 0.893 57 L HN 0.307 nan 8.230 nan 0.000 0.437 58 Q N -0.269 119.370 119.800 -0.268 0.000 2.112 58 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 58 Q C 2.397 178.375 176.000 -0.036 0.000 0.987 58 Q CA 2.463 58.188 55.803 -0.129 0.000 0.858 58 Q CB -0.497 28.083 28.738 -0.263 0.000 0.905 58 Q HN 0.691 nan 8.270 nan 0.000 0.420 59 I N 0.269 120.744 120.570 -0.160 0.000 2.252 59 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 59 I C 2.469 178.520 176.117 -0.110 0.000 1.102 59 I CA 1.149 62.344 61.300 -0.174 0.000 1.385 59 I CB -0.542 37.336 38.000 -0.203 0.000 1.064 59 I HN 0.095 nan 8.210 nan 0.000 0.414 60 V N -0.126 119.737 119.914 -0.085 0.000 2.270 60 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 60 V C 2.554 178.626 176.094 -0.036 0.000 1.043 60 V CA 2.340 64.613 62.300 -0.045 0.000 1.014 60 V CB -1.610 30.189 31.823 -0.040 0.000 0.645 60 V HN 0.565 nan 8.190 nan 0.000 0.447 61 T N -1.317 113.228 114.554 -0.015 0.000 2.849 61 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 61 T C 1.990 176.620 174.700 -0.117 0.000 1.066 61 T CA 1.658 63.758 62.100 -0.000 0.000 1.130 61 T CB -1.318 67.611 68.868 0.101 0.000 0.864 61 T HN 0.809 nan 8.240 nan 0.000 0.481 62 G N 2.025 110.726 108.800 -0.166 0.000 2.464 62 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 62 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 62 G C 1.518 176.255 174.900 -0.273 0.000 1.218 62 G CA 0.776 45.649 45.100 -0.378 0.000 0.794 62 G HN 0.549 nan 8.290 nan 0.000 0.542 63 I N 0.610 121.067 120.570 -0.189 0.000 2.185 63 I HA -0.238 3.932 4.170 -0.000 0.000 0.246 63 I C 2.813 178.917 176.117 -0.023 0.000 1.088 63 I CA 0.836 62.082 61.300 -0.090 0.000 1.347 63 I CB -0.573 37.444 38.000 0.028 0.000 1.041 63 I HN 0.038 nan 8.210 nan 0.000 0.415 64 V N 1.166 121.073 119.914 -0.011 0.000 2.233 64 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 64 V C 2.464 178.620 176.094 0.103 0.000 1.050 64 V CA 1.985 64.316 62.300 0.051 0.000 1.010 64 V CB -0.616 31.234 31.823 0.044 0.000 0.637 64 V HN 0.355 nan 8.190 nan 0.000 0.444 65 L N 0.168 121.409 121.223 0.030 0.000 2.043 65 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 65 L C 2.695 179.641 176.870 0.127 0.000 1.075 65 L CA 1.721 56.604 54.840 0.072 0.000 0.752 65 L CB -0.823 41.177 42.059 -0.098 0.000 0.891 65 L HN 0.397 nan 8.230 nan 0.000 0.432 66 A N -0.326 122.526 122.820 0.053 0.000 2.032 66 A HA -0.245 4.074 4.320 -0.000 0.000 0.221 66 A C 2.188 179.870 177.584 0.162 0.000 1.165 66 A CA 1.874 54.016 52.037 0.175 0.000 0.645 66 A CB -0.570 18.468 19.000 0.065 0.000 0.807 66 A HN 0.480 nan 8.150 nan 0.000 0.453 67 M N -1.396 118.215 119.600 0.019 0.000 2.619 67 M HA 0.010 4.490 4.480 -0.000 0.000 0.251 67 M C 1.015 177.024 176.300 -0.484 0.000 1.106 67 M CA 0.790 55.965 55.300 -0.209 0.000 1.086 67 M CB -0.159 32.245 32.600 -0.325 0.000 1.465 67 M HN 0.465 nan 8.290 nan 0.000 0.506 68 H N -2.620 116.521 119.070 0.118 0.000 3.440 68 H HA 0.176 4.732 4.556 -0.000 0.000 0.259 68 H C -0.334 175.058 175.328 0.108 0.000 1.120 68 H CA -0.219 55.900 56.048 0.118 0.000 1.191 68 H CB 0.436 30.289 29.762 0.152 0.000 1.537 68 H HN 0.238 nan 8.280 nan 0.000 0.547 69 Y N 2.531 122.871 120.300 0.067 0.000 2.304 69 Y HA 0.248 4.798 4.550 -0.000 0.000 0.327 69 Y C -0.152 175.660 175.900 -0.146 0.000 1.209 69 Y CA 0.174 58.265 58.100 -0.015 0.000 1.299 69 Y CB 1.043 39.505 38.460 0.004 0.000 1.249 69 Y HN -0.211 nan 8.280 nan 0.000 0.519 70 T N 8.531 122.467 114.554 -1.030 0.000 2.864 70 T HA 0.248 4.598 4.350 -0.000 0.000 0.310 70 T C -2.829 171.204 174.700 -1.112 0.000 1.040 70 T CA -1.413 60.193 62.100 -0.825 0.000 0.977 70 T CB 0.980 69.552 68.868 -0.493 0.000 0.976 70 T HN 0.431 nan 8.240 nan 0.000 0.459 71 P HA 0.127 nan 4.420 nan 0.000 0.256 71 P C -0.695 176.443 177.300 -0.270 0.000 1.688 71 P CA 0.139 62.963 63.100 -0.460 0.000 1.162 71 P CB -0.147 31.277 31.700 -0.459 0.000 1.870 72 H N 3.567 122.358 119.070 -0.465 0.000 3.218 72 H HA 0.004 4.560 4.556 -0.000 0.000 0.300 72 H C 1.017 176.069 175.328 -0.459 0.000 1.304 72 H CA -0.220 55.578 56.048 -0.416 0.000 1.562 72 H CB 1.058 30.632 29.762 -0.313 0.000 2.216 72 H HN 0.001 nan 8.280 nan 0.000 0.371 73 V N 1.954 121.403 119.914 -0.774 0.000 2.314 73 V HA -0.414 3.706 4.120 -0.000 0.000 0.256 73 V C 1.707 177.667 176.094 -0.222 0.000 1.090 73 V CA 2.578 64.422 62.300 -0.760 0.000 1.105 73 V CB -0.509 30.900 31.823 -0.690 0.000 0.785 73 V HN 0.662 nan 8.190 nan 0.000 0.464 74 D N 0.090 120.516 120.400 0.044 0.000 2.218 74 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 74 D C 1.992 178.313 176.300 0.036 0.000 0.976 74 D CA 2.053 56.109 54.000 0.093 0.000 0.853 74 D CB 0.011 40.903 40.800 0.153 0.000 0.939 74 D HN 0.603 nan 8.370 nan 0.000 0.481 75 L N -0.153 121.070 121.223 -0.001 0.000 2.519 75 L HA 0.225 4.565 4.340 -0.000 0.000 0.194 75 L C 2.480 179.287 176.870 -0.105 0.000 1.072 75 L CA 0.473 55.257 54.840 -0.092 0.000 0.845 75 L CB -0.652 41.287 42.059 -0.199 0.000 1.138 75 L HN -0.156 nan 8.230 nan 0.000 0.487 76 A N 1.155 123.850 122.820 -0.208 0.000 1.853 76 A HA -0.397 3.923 4.320 -0.000 0.000 0.255 76 A C 2.142 179.773 177.584 0.078 0.000 2.273 76 A CA 2.942 54.842 52.037 -0.229 0.000 0.797 76 A CB -1.467 17.425 19.000 -0.180 0.000 0.844 76 A HN 0.438 nan 8.150 nan 0.000 0.520 77 F N 0.438 120.424 119.950 0.059 0.000 2.084 77 F HA 0.057 4.584 4.527 -0.000 0.000 0.296 77 F C 2.669 178.526 175.800 0.094 0.000 1.111 77 F CA 1.367 59.445 58.000 0.129 0.000 1.224 77 F CB -0.854 38.238 39.000 0.153 0.000 0.991 77 F HN 0.329 nan 8.300 nan 0.000 0.471 78 A N -0.506 122.359 122.820 0.075 0.000 1.892 78 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 78 A C 2.391 179.945 177.584 -0.050 0.000 1.188 78 A CA 2.375 54.391 52.037 -0.036 0.000 0.631 78 A CB -1.683 17.324 19.000 0.011 0.000 0.822 78 A HN 0.505 nan 8.150 nan 0.000 0.447 79 S N -0.695 114.970 115.700 -0.058 0.000 2.393 79 S HA -0.213 4.257 4.470 -0.000 0.000 0.234 79 S C 1.845 176.488 174.600 0.071 0.000 1.064 79 S CA 2.287 60.450 58.200 -0.062 0.000 1.088 79 S CB -0.656 62.398 63.200 -0.244 0.000 0.939 79 S HN 0.383 nan 8.310 nan 0.000 0.448 80 V N 1.549 121.495 119.914 0.053 0.000 2.488 80 V HA 0.005 4.125 4.120 -0.000 0.000 0.246 80 V C 2.806 178.880 176.094 -0.034 0.000 1.046 80 V CA 1.649 63.989 62.300 0.066 0.000 1.053 80 V CB -0.662 31.216 31.823 0.092 0.000 0.679 80 V HN 0.410 nan 8.190 nan 0.000 0.458 81 E N -0.142 119.970 120.200 -0.147 0.000 2.106 81 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 81 E C 2.062 178.636 176.600 -0.044 0.000 0.984 81 E CA 1.415 57.732 56.400 -0.138 0.000 0.806 81 E CB -0.298 29.271 29.700 -0.218 0.000 0.750 81 E HN 0.826 nan 8.360 nan 0.000 0.458 82 H N 1.089 120.108 119.070 -0.084 0.000 2.265 82 H HA -0.101 4.455 4.556 -0.000 0.000 0.295 82 H C 2.153 177.452 175.328 -0.049 0.000 1.084 82 H CA 2.330 58.347 56.048 -0.052 0.000 1.261 82 H CB -0.447 29.292 29.762 -0.038 0.000 1.360 82 H HN 0.065 nan 8.280 nan 0.000 0.487 83 I N -0.146 120.374 120.570 -0.084 0.000 2.185 83 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 83 I C 2.268 178.278 176.117 -0.178 0.000 1.088 83 I CA 1.369 62.568 61.300 -0.168 0.000 1.347 83 I CB -0.365 37.627 38.000 -0.014 0.000 1.041 83 I HN 0.415 nan 8.210 nan 0.000 0.415 84 M N 0.193 119.728 119.600 -0.108 0.000 2.067 84 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 84 M C 2.384 178.664 176.300 -0.034 0.000 1.069 84 M CA 1.934 57.196 55.300 -0.064 0.000 1.117 84 M CB -1.127 31.432 32.600 -0.068 0.000 1.334 84 M HN 0.218 nan 8.290 nan 0.000 0.407 85 R N -0.757 119.691 120.500 -0.087 0.000 2.161 85 R HA 0.018 4.358 4.340 -0.000 0.000 0.213 85 R C 1.572 177.805 176.300 -0.112 0.000 1.055 85 R CA 0.720 56.774 56.100 -0.077 0.000 0.996 85 R CB 0.060 30.320 30.300 -0.067 0.000 0.901 85 R HN 0.428 nan 8.270 nan 0.000 0.456 86 N N -0.248 118.305 118.700 -0.246 0.000 2.742 86 N HA 0.044 4.784 4.740 -0.000 0.000 0.233 86 N C 0.251 175.596 175.510 -0.274 0.000 1.033 86 N CA 0.112 52.993 53.050 -0.281 0.000 0.993 86 N CB -0.040 38.196 38.487 -0.420 0.000 1.544 86 N HN -0.178 nan 8.380 nan 0.000 0.459 87 V N 3.886 123.550 119.914 -0.418 0.000 2.843 87 V HA -0.093 4.027 4.120 -0.000 0.000 0.305 87 V C 0.394 176.356 176.094 -0.220 0.000 1.120 87 V CA -0.060 62.023 62.300 -0.362 0.000 1.254 87 V CB -0.080 31.381 31.823 -0.603 0.000 0.901 87 V HN 0.278 nan 8.190 nan 0.000 0.503 88 N N 4.257 122.860 118.700 -0.162 0.000 2.412 88 N HA 0.139 4.879 4.740 -0.000 0.000 0.279 88 N C 1.152 176.571 175.510 -0.153 0.000 1.287 88 N CA 1.108 54.099 53.050 -0.098 0.000 0.948 88 N CB 0.654 39.107 38.487 -0.056 0.000 1.255 88 N HN 1.141 nan 8.380 nan 0.000 0.485 89 G N 1.585 110.269 108.800 -0.194 0.000 2.143 89 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 89 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 89 G C 1.184 175.749 174.900 -0.559 0.000 0.991 89 G CA 0.382 45.197 45.100 -0.476 0.000 0.689 89 G HN 0.673 nan 8.290 nan 0.000 0.522 90 G N 1.015 109.596 108.800 -0.364 0.000 2.459 90 G HA2 0.056 4.016 3.960 -0.000 0.000 0.217 90 G HA3 0.056 4.016 3.960 -0.000 0.000 0.217 90 G C 1.589 176.312 174.900 -0.295 0.000 1.183 90 G CA 1.565 46.493 45.100 -0.287 0.000 0.776 90 G HN 1.210 nan 8.290 nan 0.000 0.552 91 F N 0.348 120.205 119.950 -0.154 0.000 2.087 91 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 91 F C 2.388 178.093 175.800 -0.157 0.000 1.100 91 F CA 1.560 59.427 58.000 -0.222 0.000 1.226 91 F CB -0.606 38.301 39.000 -0.155 0.000 0.983 91 F HN 0.029 nan 8.300 nan 0.000 0.479 92 M N 0.285 119.255 119.600 -1.051 0.000 2.394 92 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 92 M C 2.122 178.342 176.300 -0.133 0.000 1.073 92 M CA 0.943 56.020 55.300 -0.372 0.000 1.111 92 M CB -0.599 31.701 32.600 -0.499 0.000 1.401 92 M HN 0.399 nan 8.290 nan 0.000 0.448 93 L N -1.208 119.897 121.223 -0.197 0.000 2.068 93 L HA -0.159 4.181 4.340 -0.000 0.000 0.204 93 L C 2.725 179.616 176.870 0.034 0.000 1.076 93 L CA 0.687 55.492 54.840 -0.057 0.000 0.753 93 L CB -0.657 41.349 42.059 -0.088 0.000 0.910 93 L HN 0.209 nan 8.230 nan 0.000 0.439 94 R N 0.267 120.758 120.500 -0.016 0.000 2.132 94 R HA -0.247 4.093 4.340 -0.000 0.000 0.233 94 R C 2.368 178.791 176.300 0.204 0.000 1.125 94 R CA 2.163 58.293 56.100 0.050 0.000 0.914 94 R CB -0.985 29.270 30.300 -0.075 0.000 0.845 94 R HN 0.203 nan 8.270 nan 0.000 0.431 95 Y N 1.027 121.420 120.300 0.154 0.000 2.139 95 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 95 Y C 2.521 178.503 175.900 0.136 0.000 1.179 95 Y CA 1.159 59.352 58.100 0.155 0.000 1.161 95 Y CB -0.884 37.659 38.460 0.139 0.000 0.970 95 Y HN 0.092 nan 8.280 nan 0.000 0.511 96 L N -1.526 119.860 121.223 0.272 0.000 2.046 96 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 96 L C 2.463 179.514 176.870 0.301 0.000 1.077 96 L CA 1.700 56.677 54.840 0.228 0.000 0.747 96 L CB -0.518 41.639 42.059 0.162 0.000 0.896 96 L HN 0.241 nan 8.230 nan 0.000 0.432 97 H N -0.419 118.750 119.070 0.164 0.000 2.353 97 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 97 H C 2.037 177.478 175.328 0.187 0.000 1.090 97 H CA 1.597 57.725 56.048 0.135 0.000 1.327 97 H CB 0.070 29.891 29.762 0.099 0.000 1.383 97 H HN 0.337 nan 8.280 nan 0.000 0.508 98 A N 0.633 123.624 122.820 0.284 0.000 1.825 98 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 98 A C 2.237 179.983 177.584 0.270 0.000 1.206 98 A CA 1.563 53.760 52.037 0.267 0.000 0.609 98 A CB -0.657 18.549 19.000 0.343 0.000 0.851 98 A HN 0.591 nan 8.150 nan 0.000 0.445 99 N N 0.200 119.093 118.700 0.322 0.000 2.430 99 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 99 N C 1.680 177.438 175.510 0.413 0.000 1.032 99 N CA 1.154 54.436 53.050 0.387 0.000 0.893 99 N CB -0.379 38.324 38.487 0.360 0.000 0.957 99 N HN 0.554 nan 8.380 nan 0.000 0.442 100 G N 0.996 109.968 108.800 0.288 0.000 2.418 100 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 100 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 100 G C 1.722 176.630 174.900 0.013 0.000 1.158 100 G CA 0.950 46.085 45.100 0.058 0.000 0.771 100 G HN 0.395 nan 8.290 nan 0.000 0.545 101 A N 1.014 123.866 122.820 0.055 0.000 1.883 101 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 101 A C 2.729 180.408 177.584 0.157 0.000 1.186 101 A CA 2.389 54.454 52.037 0.046 0.000 0.624 101 A CB -0.784 18.256 19.000 0.065 0.000 0.822 101 A HN 0.332 nan 8.150 nan 0.000 0.444 102 S N -0.293 115.639 115.700 0.387 0.000 2.351 102 S HA -0.203 4.267 4.470 -0.000 0.000 0.220 102 S C 1.899 176.815 174.600 0.527 0.000 1.035 102 S CA 1.569 60.180 58.200 0.685 0.000 1.031 102 S CB -0.692 62.966 63.200 0.763 0.000 0.928 102 S HN 0.527 nan 8.310 nan 0.000 0.433 103 L N 1.342 122.754 121.223 0.315 0.000 2.021 103 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 103 L C 2.031 179.016 176.870 0.191 0.000 1.074 103 L CA 1.807 56.751 54.840 0.173 0.000 0.760 103 L CB -0.912 41.057 42.059 -0.150 0.000 0.889 103 L HN 0.234 nan 8.230 nan 0.000 0.433 104 F N -0.566 119.314 119.950 -0.116 0.000 2.120 104 F HA -0.281 4.246 4.527 -0.000 0.000 0.300 104 F C 2.149 177.726 175.800 -0.371 0.000 1.095 104 F CA 1.567 59.391 58.000 -0.292 0.000 1.249 104 F CB -0.866 37.839 39.000 -0.492 0.000 0.995 104 F HN 0.141 nan 8.300 nan 0.000 0.480 105 F N -0.048 119.878 119.950 -0.040 0.000 2.118 105 F HA -0.070 4.457 4.527 -0.000 0.000 0.293 105 F C 2.495 178.277 175.800 -0.030 0.000 1.102 105 F CA 1.048 58.881 58.000 -0.277 0.000 1.247 105 F CB -1.095 37.616 39.000 -0.481 0.000 1.017 105 F HN -0.196 nan 8.300 nan 0.000 0.475 106 I N 0.242 121.142 120.570 0.551 0.000 2.182 106 I HA -0.460 3.710 4.170 -0.000 0.000 0.248 106 I C 2.569 178.784 176.117 0.164 0.000 1.073 106 I CA 1.565 63.141 61.300 0.460 0.000 1.335 106 I CB -0.993 37.198 38.000 0.318 0.000 1.031 106 I HN 0.168 nan 8.210 nan 0.000 0.420 107 A N 0.173 123.074 122.820 0.134 0.000 1.845 107 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 107 A C 2.517 180.132 177.584 0.051 0.000 1.195 107 A CA 1.987 54.084 52.037 0.101 0.000 0.616 107 A CB -1.175 17.985 19.000 0.267 0.000 0.832 107 A HN 0.291 nan 8.150 nan 0.000 0.443 108 V N -1.050 118.861 119.914 -0.005 0.000 2.392 108 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 108 V C 2.321 178.423 176.094 0.013 0.000 1.059 108 V CA 2.237 64.520 62.300 -0.028 0.000 1.051 108 V CB -0.836 30.874 31.823 -0.188 0.000 0.658 108 V HN 0.620 nan 8.190 nan 0.000 0.455 109 Y N 0.171 120.554 120.300 0.138 0.000 2.145 109 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 109 Y C 2.356 178.307 175.900 0.086 0.000 1.145 109 Y CA 1.564 59.713 58.100 0.081 0.000 1.148 109 Y CB -0.926 37.688 38.460 0.255 0.000 0.981 109 Y HN 0.195 nan 8.280 nan 0.000 0.507 110 L N -1.163 120.126 121.223 0.109 0.000 2.012 110 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 110 L C 2.471 179.354 176.870 0.021 0.000 1.073 110 L CA 1.920 56.681 54.840 -0.133 0.000 0.748 110 L CB -0.729 40.769 42.059 -0.935 0.000 0.891 110 L HN 0.260 nan 8.230 nan 0.000 0.431 111 H N 0.358 119.406 119.070 -0.037 0.000 2.319 111 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 111 H C 2.108 177.485 175.328 0.082 0.000 1.092 111 H CA 2.067 58.166 56.048 0.085 0.000 1.302 111 H CB -0.125 29.700 29.762 0.106 0.000 1.373 111 H HN 0.187 nan 8.280 nan 0.000 0.497 112 I N -0.891 119.719 120.570 0.067 0.000 2.113 112 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 112 I C 1.950 178.112 176.117 0.075 0.000 1.070 112 I CA 1.279 62.562 61.300 -0.029 0.000 1.332 112 I CB -0.445 37.433 38.000 -0.202 0.000 1.044 112 I HN 0.149 nan 8.210 nan 0.000 0.402 113 F N 0.897 120.924 119.950 0.128 0.000 2.161 113 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 113 F C 2.650 178.621 175.800 0.284 0.000 1.089 113 F CA 1.334 59.439 58.000 0.175 0.000 1.282 113 F CB -0.593 38.429 39.000 0.036 0.000 1.010 113 F HN -0.005 nan 8.300 nan 0.000 0.485 114 R N 1.173 121.893 120.500 0.367 0.000 2.083 114 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 114 R C 2.376 178.860 176.300 0.307 0.000 1.137 114 R CA 1.810 58.097 56.100 0.311 0.000 0.951 114 R CB -1.465 28.910 30.300 0.125 0.000 0.851 114 R HN 0.377 nan 8.270 nan 0.000 0.434 115 G N 1.303 110.229 108.800 0.210 0.000 2.421 115 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 115 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 115 G C 1.830 176.924 174.900 0.322 0.000 1.171 115 G CA 0.792 46.037 45.100 0.241 0.000 0.775 115 G HN 0.326 nan 8.290 nan 0.000 0.543 116 L N -1.053 120.435 121.223 0.441 0.000 2.042 116 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 116 L C 2.608 179.762 176.870 0.473 0.000 1.076 116 L CA 1.473 56.645 54.840 0.553 0.000 0.749 116 L CB -0.468 41.911 42.059 0.534 0.000 0.893 116 L HN 0.328 nan 8.230 nan 0.000 0.432 117 Y N -0.706 119.668 120.300 0.125 0.000 2.263 117 Y HA -0.234 4.316 4.550 -0.000 0.000 0.292 117 Y C 1.711 177.248 175.900 -0.606 0.000 1.130 117 Y CA 1.419 59.171 58.100 -0.580 0.000 1.179 117 Y CB -0.005 37.811 38.460 -1.074 0.000 0.998 117 Y HN 0.072 nan 8.280 nan 0.000 0.532 118 Y N -0.151 120.046 120.300 -0.171 0.000 2.524 118 Y HA 0.308 4.858 4.550 -0.000 0.000 0.266 118 Y C 1.634 177.323 175.900 -0.352 0.000 1.180 118 Y CA 0.061 58.024 58.100 -0.229 0.000 1.244 118 Y CB 0.288 38.769 38.460 0.035 0.000 1.125 118 Y HN 0.181 nan 8.280 nan 0.000 0.524 119 G N -0.227 108.312 108.800 -0.435 0.000 2.225 119 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 119 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 119 G C 1.193 175.686 174.900 -0.677 0.000 1.024 119 G CA 0.741 45.355 45.100 -0.810 0.000 0.784 119 G HN 0.373 nan 8.290 nan 0.000 0.507 120 S N -0.918 114.544 115.700 -0.398 0.000 2.507 120 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 120 S C 1.787 176.282 174.600 -0.175 0.000 0.988 120 S CA 1.607 59.698 58.200 -0.183 0.000 0.944 120 S CB -0.284 62.888 63.200 -0.045 0.000 0.762 120 S HN 0.947 nan 8.310 nan 0.000 0.526 121 Y N 0.687 120.851 120.300 -0.227 0.000 2.509 121 Y HA 0.447 4.997 4.550 -0.000 0.000 0.270 121 Y C 0.335 176.019 175.900 -0.360 0.000 1.103 121 Y CA -0.832 57.046 58.100 -0.370 0.000 1.278 121 Y CB -0.506 37.231 38.460 -1.204 0.000 1.087 121 Y HN -0.097 nan 8.280 nan 0.000 0.542 122 K N 2.117 122.075 120.400 -0.736 0.000 2.382 122 K HA 0.393 4.713 4.320 -0.000 0.000 0.275 122 K C 0.529 176.965 176.600 -0.272 0.000 1.009 122 K CA 0.115 56.136 56.287 -0.443 0.000 0.970 122 K CB 0.631 32.846 32.500 -0.474 0.000 0.934 122 K HN 0.348 nan 8.250 nan 0.000 0.479 123 A N 4.308 126.999 122.820 -0.214 0.000 2.632 123 A HA -0.041 4.279 4.320 -0.000 0.000 0.229 123 A C -1.143 176.377 177.584 -0.106 0.000 1.047 123 A CA -0.460 51.497 52.037 -0.134 0.000 0.754 123 A CB -0.297 18.639 19.000 -0.107 0.000 0.969 123 A HN 0.682 nan 8.150 nan 0.000 0.509 124 P HA 0.047 nan 4.420 nan 0.000 0.253 124 P C 0.311 177.598 177.300 -0.021 0.000 1.260 124 P CA 0.277 63.354 63.100 -0.039 0.000 0.800 124 P CB 0.110 31.797 31.700 -0.023 0.000 1.162 125 R N 0.515 120.996 120.500 -0.031 0.000 2.535 125 R HA 0.059 4.399 4.340 -0.000 0.000 0.233 125 R C 1.113 177.456 176.300 0.072 0.000 1.202 125 R CA 0.111 56.225 56.100 0.023 0.000 1.205 125 R CB -0.295 30.016 30.300 0.018 0.000 1.153 125 R HN 0.244 nan 8.270 nan 0.000 0.512 126 E N 0.286 120.505 120.200 0.032 0.000 2.028 126 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 126 E C 1.869 178.593 176.600 0.206 0.000 0.988 126 E CA 1.276 57.715 56.400 0.064 0.000 0.799 126 E CB -0.040 29.656 29.700 -0.006 0.000 0.755 126 E HN 0.053 nan 8.360 nan 0.000 0.447 127 V N 1.183 121.194 119.914 0.161 0.000 2.282 127 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 127 V C 2.184 178.398 176.094 0.200 0.000 1.057 127 V CA 2.270 64.667 62.300 0.163 0.000 1.032 127 V CB -1.147 30.721 31.823 0.075 0.000 0.645 127 V HN 0.357 nan 8.190 nan 0.000 0.447 128 T N -0.724 113.951 114.554 0.201 0.000 2.565 128 T HA -0.332 4.018 4.350 -0.000 0.000 0.265 128 T C 1.498 176.402 174.700 0.341 0.000 1.082 128 T CA 2.232 64.494 62.100 0.271 0.000 1.173 128 T CB -0.546 68.455 68.868 0.222 0.000 0.864 128 T HN 0.693 nan 8.240 nan 0.000 0.425 129 W N 1.676 123.075 121.300 0.165 0.000 2.302 129 W HA -0.234 4.426 4.660 -0.000 0.000 0.320 129 W C 2.071 178.679 176.519 0.149 0.000 1.241 129 W CA 1.521 58.956 57.345 0.149 0.000 1.264 129 W CB -0.725 28.804 29.460 0.114 0.000 1.154 129 W HN 0.290 nan 8.180 nan 0.000 0.483 130 I N 0.226 120.950 120.570 0.256 0.000 2.127 130 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 130 I C 2.448 178.593 176.117 0.047 0.000 1.075 130 I CA 1.789 63.188 61.300 0.164 0.000 1.334 130 I CB -1.377 36.775 38.000 0.253 0.000 1.040 130 I HN -0.231 nan 8.210 nan 0.000 0.405 131 V N 1.241 121.213 119.914 0.097 0.000 2.252 131 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 131 V C 2.635 178.702 176.094 -0.045 0.000 1.056 131 V CA 2.414 64.757 62.300 0.073 0.000 1.022 131 V CB -1.610 30.315 31.823 0.169 0.000 0.641 131 V HN 0.636 nan 8.190 nan 0.000 0.445 132 G N -0.722 108.014 108.800 -0.108 0.000 2.505 132 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 132 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 132 G C 1.517 176.251 174.900 -0.276 0.000 1.145 132 G CA 1.355 46.255 45.100 -0.332 0.000 0.761 132 G HN 0.334 nan 8.290 nan 0.000 0.571 133 M N 0.138 119.562 119.600 -0.294 0.000 2.117 133 M HA 0.070 4.550 4.480 -0.000 0.000 0.262 133 M C 2.702 178.986 176.300 -0.028 0.000 1.065 133 M CA 0.906 56.102 55.300 -0.174 0.000 1.114 133 M CB -1.209 31.302 32.600 -0.148 0.000 1.361 133 M HN 0.218 nan 8.290 nan 0.000 0.408 134 L N -0.385 120.818 121.223 -0.034 0.000 2.012 134 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 134 L C 2.434 179.287 176.870 -0.027 0.000 1.073 134 L CA 1.243 56.077 54.840 -0.010 0.000 0.748 134 L CB -0.688 41.374 42.059 0.005 0.000 0.891 134 L HN 0.221 nan 8.230 nan 0.000 0.431 135 I N -1.404 119.132 120.570 -0.057 0.000 2.118 135 I HA -0.393 3.777 4.170 -0.000 0.000 0.241 135 I C 2.592 178.663 176.117 -0.078 0.000 1.070 135 I CA 1.647 62.900 61.300 -0.078 0.000 1.327 135 I CB -0.485 37.437 38.000 -0.131 0.000 1.034 135 I HN 0.216 nan 8.210 nan 0.000 0.405 136 Y N 1.251 121.444 120.300 -0.179 0.000 2.114 136 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 136 Y C 2.320 178.171 175.900 -0.082 0.000 1.165 136 Y CA 1.676 59.686 58.100 -0.151 0.000 1.148 136 Y CB -0.556 37.824 38.460 -0.134 0.000 0.972 136 Y HN 0.040 nan 8.280 nan 0.000 0.504 137 L N 0.237 121.370 121.223 -0.151 0.000 1.970 137 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 137 L C 2.648 179.428 176.870 -0.149 0.000 1.071 137 L CA 2.244 56.973 54.840 -0.185 0.000 0.751 137 L CB -1.634 40.395 42.059 -0.051 0.000 0.889 137 L HN 0.297 nan 8.230 nan 0.000 0.432 138 A N -0.792 121.972 122.820 -0.094 0.000 1.884 138 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 138 A C 2.288 179.816 177.584 -0.094 0.000 1.197 138 A CA 2.606 54.603 52.037 -0.066 0.000 0.637 138 A CB -0.673 18.295 19.000 -0.053 0.000 0.827 138 A HN 0.524 nan 8.150 nan 0.000 0.450 139 M N -1.346 118.143 119.600 -0.185 0.000 2.163 139 M HA -0.290 4.190 4.480 -0.000 0.000 0.258 139 M C 2.548 178.794 176.300 -0.090 0.000 1.071 139 M CA 2.435 57.562 55.300 -0.288 0.000 1.093 139 M CB -0.640 31.605 32.600 -0.591 0.000 1.285 139 M HN 0.468 nan 8.290 nan 0.000 0.420 140 M N -0.202 119.381 119.600 -0.029 0.000 2.088 140 M HA -0.252 4.228 4.480 -0.000 0.000 0.256 140 M C 2.521 178.961 176.300 0.234 0.000 1.071 140 M CA 2.022 57.442 55.300 0.201 0.000 1.097 140 M CB -0.881 31.696 32.600 -0.039 0.000 1.315 140 M HN 0.483 nan 8.290 nan 0.000 0.406 141 A N 0.296 123.175 122.820 0.099 0.000 1.881 141 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 141 A C 2.178 179.879 177.584 0.196 0.000 1.215 141 A CA 2.821 54.947 52.037 0.149 0.000 0.648 141 A CB -1.482 17.558 19.000 0.066 0.000 0.832 141 A HN 0.547 nan 8.150 nan 0.000 0.455 142 T N 0.250 114.878 114.554 0.124 0.000 2.529 142 T HA -0.101 4.249 4.350 -0.000 0.000 0.261 142 T C 2.232 177.066 174.700 0.224 0.000 1.110 142 T CA 2.465 64.660 62.100 0.159 0.000 1.192 142 T CB -0.913 68.005 68.868 0.083 0.000 0.864 142 T HN 0.830 nan 8.240 nan 0.000 0.407 143 A N 1.218 124.166 122.820 0.214 0.000 2.023 143 A HA -0.207 4.113 4.320 -0.000 0.000 0.223 143 A C 2.014 179.785 177.584 0.313 0.000 1.180 143 A CA 2.316 54.491 52.037 0.229 0.000 0.659 143 A CB -1.100 18.026 19.000 0.210 0.000 0.817 143 A HN 0.570 nan 8.150 nan 0.000 0.466 144 F N -0.288 119.811 119.950 0.248 0.000 2.098 144 F HA -0.046 4.481 4.527 -0.000 0.000 0.294 144 F C 2.171 178.067 175.800 0.160 0.000 1.107 144 F CA 1.886 60.050 58.000 0.274 0.000 1.234 144 F CB -0.654 38.472 39.000 0.209 0.000 1.002 144 F HN 0.173 nan 8.300 nan 0.000 0.472 145 M N 0.661 119.919 119.600 -0.570 0.000 2.108 145 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 145 M C 2.482 178.531 176.300 -0.418 0.000 1.066 145 M CA 1.834 56.712 55.300 -0.704 0.000 1.107 145 M CB -1.259 31.010 32.600 -0.552 0.000 1.356 145 M HN 0.391 nan 8.290 nan 0.000 0.406 146 G N -0.723 107.731 108.800 -0.578 0.000 2.491 146 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 146 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 146 G C 1.290 176.108 174.900 -0.137 0.000 1.180 146 G CA 0.899 45.546 45.100 -0.755 0.000 0.774 146 G HN 0.406 nan 8.290 nan 0.000 0.562 147 Y N 1.287 121.537 120.300 -0.084 0.000 2.298 147 Y HA -0.135 4.415 4.550 -0.000 0.000 0.287 147 Y C 2.902 178.836 175.900 0.057 0.000 1.164 147 Y CA 1.020 59.144 58.100 0.039 0.000 1.229 147 Y CB -0.255 38.277 38.460 0.120 0.000 0.977 147 Y HN 0.058 nan 8.280 nan 0.000 0.538 148 V N -0.095 119.844 119.914 0.042 0.000 2.307 148 V HA -0.333 3.787 4.120 -0.000 0.000 0.245 148 V C 2.478 178.694 176.094 0.203 0.000 1.045 148 V CA 1.789 64.150 62.300 0.101 0.000 1.024 148 V CB -0.915 31.030 31.823 0.204 0.000 0.651 148 V HN 0.384 nan 8.190 nan 0.000 0.449 149 L N -0.017 121.289 121.223 0.139 0.000 2.011 149 L HA -0.248 4.092 4.340 -0.000 0.000 0.225 149 L C 0.108 177.193 176.870 0.358 0.000 1.084 149 L CA 2.260 57.211 54.840 0.185 0.000 0.791 149 L CB -2.388 39.570 42.059 -0.168 0.000 0.898 149 L HN 0.342 nan 8.230 nan 0.000 0.440 150 P HA -0.242 nan 4.420 nan 0.000 0.221 150 P C 0.178 177.782 177.300 0.508 0.000 1.141 150 P CA 0.930 64.252 63.100 0.370 0.000 0.794 150 P CB -0.147 31.679 31.700 0.209 0.000 0.764 151 W N -0.444 120.910 121.300 0.090 0.000 6.544 151 W HA -0.165 4.495 4.660 -0.000 0.000 0.423 151 W C -0.029 176.406 176.519 -0.141 0.000 1.688 151 W CA 0.332 57.675 57.345 -0.004 0.000 1.082 151 W CB -1.280 28.193 29.460 0.021 0.000 2.917 151 W HN -0.021 nan 8.180 nan 0.000 1.481 152 G N 0.915 109.592 108.800 -0.206 0.000 2.887 152 G HA2 0.296 4.256 3.960 -0.000 0.000 0.277 152 G HA3 0.296 4.256 3.960 -0.000 0.000 0.277 152 G C 0.428 175.107 174.900 -0.369 0.000 1.346 152 G CA -0.093 44.781 45.100 -0.377 0.000 1.058 152 G HN 0.190 nan 8.290 nan 0.000 0.535 153 Q N -0.718 118.930 119.800 -0.253 0.000 1.948 153 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 153 Q C 2.777 178.756 176.000 -0.035 0.000 0.992 153 Q CA 1.286 57.029 55.803 -0.100 0.000 0.849 153 Q CB -0.388 28.352 28.738 0.003 0.000 0.918 153 Q HN 0.452 nan 8.270 nan 0.000 0.421 154 M N 0.578 120.125 119.600 -0.089 0.000 2.195 154 M HA -0.136 4.344 4.480 -0.000 0.000 0.260 154 M C 2.153 178.415 176.300 -0.063 0.000 1.066 154 M CA 1.207 56.484 55.300 -0.039 0.000 1.089 154 M CB -1.223 31.369 32.600 -0.014 0.000 1.377 154 M HN 0.056 nan 8.290 nan 0.000 0.411 155 S N 0.536 116.077 115.700 -0.266 0.000 2.348 155 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 155 S C 1.653 176.143 174.600 -0.183 0.000 1.033 155 S CA 1.093 59.138 58.200 -0.259 0.000 1.010 155 S CB -0.511 62.526 63.200 -0.272 0.000 0.891 155 S HN 0.411 nan 8.310 nan 0.000 0.442 156 F N 1.285 120.862 119.950 -0.622 0.000 1.997 156 F HA -0.127 4.400 4.527 -0.000 0.000 0.296 156 F C 1.972 177.440 175.800 -0.553 0.000 1.160 156 F CA 1.299 58.767 58.000 -0.886 0.000 1.176 156 F CB -1.034 37.206 39.000 -1.267 0.000 0.964 156 F HN 0.227 nan 8.300 nan 0.000 0.484 157 W N 0.604 121.822 121.300 -0.137 0.000 2.302 157 W HA -0.174 4.486 4.660 -0.000 0.000 0.320 157 W C 2.740 179.195 176.519 -0.106 0.000 1.241 157 W CA 1.331 58.564 57.345 -0.186 0.000 1.264 157 W CB -1.357 28.064 29.460 -0.065 0.000 1.154 157 W HN 0.251 nan 8.180 nan 0.000 0.483 158 G N 0.285 109.202 108.800 0.195 0.000 2.505 158 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 158 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 158 G C 1.600 176.665 174.900 0.275 0.000 1.145 158 G CA 1.850 47.089 45.100 0.232 0.000 0.761 158 G HN 0.390 nan 8.290 nan 0.000 0.571 159 A N 0.105 123.079 122.820 0.258 0.000 1.877 159 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 159 A C 2.540 180.222 177.584 0.163 0.000 1.186 159 A CA 2.480 54.748 52.037 0.384 0.000 0.620 159 A CB -1.065 18.043 19.000 0.179 0.000 0.822 159 A HN 0.307 nan 8.150 nan 0.000 0.443 160 T N -0.219 114.265 114.554 -0.117 0.000 2.665 160 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 160 T C 1.858 176.592 174.700 0.056 0.000 1.035 160 T CA 1.839 63.860 62.100 -0.131 0.000 1.151 160 T CB -0.524 68.207 68.868 -0.227 0.000 0.862 160 T HN 0.153 nan 8.240 nan 0.000 0.438 161 V N 1.538 121.508 119.914 0.094 0.000 2.307 161 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 161 V C 2.448 178.580 176.094 0.064 0.000 1.045 161 V CA 1.216 63.568 62.300 0.087 0.000 1.024 161 V CB -0.498 31.374 31.823 0.081 0.000 0.651 161 V HN 0.484 nan 8.190 nan 0.000 0.449 162 I N 1.096 121.686 120.570 0.032 0.000 2.439 162 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 162 I C 2.639 178.870 176.117 0.190 0.000 1.139 162 I CA 2.014 63.270 61.300 -0.074 0.000 1.438 162 I CB -1.583 36.046 38.000 -0.617 0.000 1.085 162 I HN 0.506 nan 8.210 nan 0.000 0.427 163 T N -0.748 113.970 114.554 0.274 0.000 2.867 163 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 163 T C 2.080 177.000 174.700 0.367 0.000 1.057 163 T CA 1.032 63.354 62.100 0.371 0.000 1.136 163 T CB -0.975 68.060 68.868 0.278 0.000 0.874 163 T HN 0.380 nan 8.240 nan 0.000 0.466 164 G N 2.219 111.154 108.800 0.225 0.000 2.440 164 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 164 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 164 G C 1.492 176.483 174.900 0.151 0.000 1.154 164 G CA 0.836 46.038 45.100 0.171 0.000 0.767 164 G HN 0.528 nan 8.290 nan 0.000 0.552 165 L N -0.694 120.584 121.223 0.092 0.000 2.089 165 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 165 L C 2.672 179.454 176.870 -0.147 0.000 1.079 165 L CA 1.115 55.923 54.840 -0.052 0.000 0.758 165 L CB -0.543 41.411 42.059 -0.175 0.000 0.891 165 L HN 0.164 nan 8.230 nan 0.000 0.433 166 F N -0.218 119.820 119.950 0.146 0.000 2.367 166 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 166 F C 2.483 178.352 175.800 0.116 0.000 1.094 166 F CA 0.948 59.029 58.000 0.134 0.000 1.409 166 F CB -1.004 38.079 39.000 0.140 0.000 1.064 166 F HN -0.009 nan 8.300 nan 0.000 0.528 167 G N -0.380 108.564 108.800 0.241 0.000 2.559 167 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 167 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 167 G C 1.802 176.750 174.900 0.079 0.000 1.126 167 G CA 0.718 45.920 45.100 0.171 0.000 0.778 167 G HN 0.420 nan 8.290 nan 0.000 0.543 168 A N 0.306 123.170 122.820 0.074 0.000 1.970 168 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 168 A C 1.094 178.608 177.584 -0.117 0.000 1.170 168 A CA -0.040 52.034 52.037 0.061 0.000 0.645 168 A CB -0.140 18.976 19.000 0.194 0.000 0.816 168 A HN 0.289 nan 8.150 nan 0.000 0.447 169 I N 1.270 121.782 120.570 -0.098 0.000 2.775 169 I HA 0.052 4.222 4.170 -0.000 0.000 0.290 169 I C -2.227 173.671 176.117 -0.365 0.000 1.203 169 I CA -1.083 60.039 61.300 -0.296 0.000 1.433 169 I CB 0.273 38.233 38.000 -0.067 0.000 1.354 169 I HN 0.074 nan 8.210 nan 0.000 0.579 170 P HA 0.195 nan 4.420 nan 0.000 0.275 170 P C 0.779 177.975 177.300 -0.174 0.000 1.227 170 P CA 0.604 63.499 63.100 -0.343 0.000 0.781 170 P CB 1.100 32.570 31.700 -0.382 0.000 0.906 171 G N 3.243 111.980 108.800 -0.106 0.000 4.766 171 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.314 171 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.314 171 G C 1.155 176.038 174.900 -0.029 0.000 1.427 171 G CA 0.543 45.607 45.100 -0.059 0.000 1.024 171 G HN 0.583 nan 8.290 nan 0.000 0.754 172 I N 0.242 120.790 120.570 -0.036 0.000 2.226 172 I HA 0.145 4.315 4.170 -0.000 0.000 0.245 172 I C 2.763 178.895 176.117 0.024 0.000 1.100 172 I CA 2.254 63.543 61.300 -0.018 0.000 1.374 172 I CB -1.413 36.566 38.000 -0.036 0.000 1.057 172 I HN 0.851 nan 8.210 nan 0.000 0.413 173 G N 1.130 109.944 108.800 0.024 0.000 2.873 173 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.233 173 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.233 173 G C 1.648 176.652 174.900 0.173 0.000 1.124 173 G CA 1.971 47.121 45.100 0.083 0.000 0.747 173 G HN 0.747 nan 8.290 nan 0.000 0.644 174 H N -0.011 119.081 119.070 0.037 0.000 2.389 174 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 174 H C 2.935 178.308 175.328 0.074 0.000 1.081 174 H CA 1.041 57.124 56.048 0.058 0.000 1.345 174 H CB 0.200 29.985 29.762 0.039 0.000 1.393 174 H HN 0.437 nan 8.280 nan 0.000 0.520 175 S N 0.853 116.582 115.700 0.049 0.000 2.354 175 S HA -0.183 4.287 4.470 -0.000 0.000 0.219 175 S C 2.216 176.842 174.600 0.042 0.000 1.035 175 S CA 1.418 59.600 58.200 -0.029 0.000 1.037 175 S CB -0.357 62.819 63.200 -0.040 0.000 0.956 175 S HN 0.363 nan 8.310 nan 0.000 0.428 176 I N 1.439 122.049 120.570 0.066 0.000 2.236 176 I HA -0.313 3.857 4.170 -0.000 0.000 0.249 176 I C 2.844 179.125 176.117 0.273 0.000 1.102 176 I CA 1.491 62.871 61.300 0.134 0.000 1.365 176 I CB -0.411 37.681 38.000 0.153 0.000 1.051 176 I HN 0.433 nan 8.210 nan 0.000 0.420 177 Q N 0.230 120.182 119.800 0.253 0.000 2.049 177 Q HA -0.163 4.176 4.340 -0.000 0.000 0.198 177 Q C 2.207 178.328 176.000 0.202 0.000 0.971 177 Q CA 2.090 58.053 55.803 0.267 0.000 0.833 177 Q CB 0.040 28.963 28.738 0.309 0.000 0.896 177 Q HN 0.453 nan 8.270 nan 0.000 0.434 178 T N 0.295 114.920 114.554 0.119 0.000 2.699 178 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 178 T C 0.959 175.743 174.700 0.140 0.000 1.036 178 T CA 1.517 63.650 62.100 0.056 0.000 1.147 178 T CB -0.532 68.281 68.868 -0.092 0.000 0.862 178 T HN 0.504 nan 8.240 nan 0.000 0.446 179 W N 1.817 123.101 121.300 -0.026 0.000 2.315 179 W HA -0.120 4.540 4.660 -0.000 0.000 0.323 179 W C 1.859 178.381 176.519 0.006 0.000 1.233 179 W CA 1.026 58.362 57.345 -0.015 0.000 1.267 179 W CB -0.739 28.710 29.460 -0.019 0.000 1.160 179 W HN 0.147 nan 8.180 nan 0.000 0.474 180 L N 0.102 121.402 121.223 0.129 0.000 2.042 180 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 180 L C 2.442 179.281 176.870 -0.051 0.000 1.076 180 L CA 1.529 56.325 54.840 -0.074 0.000 0.749 180 L CB -1.074 41.025 42.059 0.066 0.000 0.893 180 L HN 0.110 nan 8.230 nan 0.000 0.432 181 L N -0.610 120.619 121.223 0.009 0.000 2.395 181 L HA 0.017 4.357 4.340 -0.000 0.000 0.218 181 L C 1.621 178.451 176.870 -0.067 0.000 1.130 181 L CA 0.642 55.465 54.840 -0.029 0.000 0.826 181 L CB -0.663 41.409 42.059 0.023 0.000 0.941 181 L HN 0.516 nan 8.230 nan 0.000 0.451 182 G N -0.007 108.753 108.800 -0.067 0.000 2.168 182 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.257 182 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.257 182 G C 0.434 175.317 174.900 -0.028 0.000 0.997 182 G CA 0.239 45.299 45.100 -0.067 0.000 0.708 182 G HN 0.736 nan 8.290 nan 0.000 0.520 183 G N -1.824 106.973 108.800 -0.005 0.000 2.321 183 G HA2 0.695 4.654 3.960 -0.000 0.000 0.296 183 G HA3 0.695 4.654 3.960 -0.000 0.000 0.296 183 G C -1.625 173.294 174.900 0.031 0.000 1.287 183 G CA 0.377 45.483 45.100 0.009 0.000 0.846 183 G HN 0.260 nan 8.290 nan 0.000 0.508 184 P HA 0.244 nan 4.420 nan 0.000 0.223 184 P C 0.626 177.974 177.300 0.081 0.000 1.151 184 P CA 1.734 64.878 63.100 0.072 0.000 0.787 184 P CB 0.531 32.270 31.700 0.066 0.000 0.788 185 A N -0.862 121.994 122.820 0.060 0.000 2.564 185 A HA 0.499 4.819 4.320 -0.000 0.000 0.288 185 A C -0.965 176.638 177.584 0.032 0.000 1.164 185 A CA -0.605 51.465 52.037 0.054 0.000 0.712 185 A CB 1.252 20.300 19.000 0.080 0.000 1.303 185 A HN -0.181 nan 8.150 nan 0.000 0.418 186 V N 2.178 122.078 119.914 -0.023 0.000 2.446 186 V HA 0.321 4.441 4.120 -0.000 0.000 0.276 186 V C -0.055 176.172 176.094 0.222 0.000 1.030 186 V CA 0.924 63.209 62.300 -0.026 0.000 1.033 186 V CB 0.361 31.985 31.823 -0.332 0.000 0.993 186 V HN 0.957 nan 8.190 nan 0.000 0.477 187 D N 3.312 123.817 120.400 0.175 0.000 3.076 187 D HA 0.220 4.860 4.640 -0.000 0.000 0.301 187 D C 0.959 177.241 176.300 -0.031 0.000 1.260 187 D CA -0.607 53.494 54.000 0.167 0.000 1.027 187 D CB 1.113 41.943 40.800 0.049 0.000 1.370 187 D HN 0.246 nan 8.370 nan 0.000 0.602 188 N N -0.286 118.295 118.700 -0.198 0.000 2.025 188 N HA -0.141 4.599 4.740 -0.000 0.000 0.194 188 N C 1.633 176.970 175.510 -0.288 0.000 1.044 188 N CA 2.634 55.447 53.050 -0.396 0.000 0.851 188 N CB -0.376 37.845 38.487 -0.443 0.000 1.036 188 N HN 0.374 nan 8.380 nan 0.000 0.422 189 A N -0.783 121.924 122.820 -0.189 0.000 1.985 189 A HA -0.270 4.050 4.320 -0.000 0.000 0.223 189 A C 2.211 179.685 177.584 -0.183 0.000 1.189 189 A CA 2.592 54.540 52.037 -0.148 0.000 0.658 189 A CB -1.432 17.505 19.000 -0.105 0.000 0.820 189 A HN 0.547 nan 8.150 nan 0.000 0.464 190 T N -0.350 114.064 114.554 -0.234 0.000 2.732 190 T HA -0.072 4.278 4.350 -0.000 0.000 0.261 190 T C 1.824 176.199 174.700 -0.541 0.000 1.040 190 T CA 1.198 63.049 62.100 -0.415 0.000 1.145 190 T CB -0.516 68.098 68.868 -0.424 0.000 0.866 190 T HN 0.323 nan 8.240 nan 0.000 0.427 191 L N 2.152 123.136 121.223 -0.400 0.000 1.978 191 L HA -0.178 4.162 4.340 -0.000 0.000 0.218 191 L C 2.050 178.863 176.870 -0.095 0.000 1.075 191 L CA 1.998 56.657 54.840 -0.303 0.000 0.767 191 L CB -1.353 40.342 42.059 -0.607 0.000 0.890 191 L HN 0.262 nan 8.230 nan 0.000 0.434 192 N N -0.864 117.762 118.700 -0.122 0.000 2.060 192 N HA -0.295 4.445 4.740 -0.000 0.000 0.195 192 N C 1.933 177.527 175.510 0.140 0.000 1.028 192 N CA 2.105 55.164 53.050 0.015 0.000 0.861 192 N CB -0.177 38.285 38.487 -0.041 0.000 1.029 192 N HN 0.536 nan 8.380 nan 0.000 0.428 193 R N -0.879 119.668 120.500 0.079 0.000 2.148 193 R HA -0.071 4.269 4.340 -0.000 0.000 0.227 193 R C 1.359 177.850 176.300 0.319 0.000 1.103 193 R CA 0.982 57.168 56.100 0.143 0.000 0.983 193 R CB -0.531 29.799 30.300 0.050 0.000 0.874 193 R HN 0.188 nan 8.270 nan 0.000 0.451 194 F N 0.841 120.816 119.950 0.042 0.000 2.206 194 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 194 F C 2.056 177.930 175.800 0.124 0.000 1.090 194 F CA -0.102 57.918 58.000 0.034 0.000 1.323 194 F CB -0.874 38.116 39.000 -0.017 0.000 1.028 194 F HN -0.074 nan 8.300 nan 0.000 0.492 195 F N 0.423 120.519 119.950 0.244 0.000 2.069 195 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 195 F C 2.808 178.740 175.800 0.220 0.000 1.113 195 F CA 1.856 59.980 58.000 0.207 0.000 1.214 195 F CB -1.031 38.098 39.000 0.215 0.000 0.978 195 F HN -0.071 nan 8.300 nan 0.000 0.474 196 S N 0.073 115.885 115.700 0.187 0.000 2.387 196 S HA -0.188 4.282 4.470 -0.000 0.000 0.230 196 S C 2.081 176.704 174.600 0.038 0.000 1.035 196 S CA 1.765 60.005 58.200 0.066 0.000 1.014 196 S CB -0.519 62.749 63.200 0.113 0.000 0.836 196 S HN 0.444 nan 8.310 nan 0.000 0.466 197 L N -0.186 121.075 121.223 0.063 0.000 2.209 197 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 197 L C 2.486 179.371 176.870 0.026 0.000 1.094 197 L CA 1.201 56.059 54.840 0.031 0.000 0.790 197 L CB -0.631 41.423 42.059 -0.008 0.000 0.932 197 L HN 0.373 nan 8.230 nan 0.000 0.447 198 H N -0.638 118.379 119.070 -0.087 0.000 2.387 198 H HA -0.246 4.310 4.556 -0.000 0.000 0.299 198 H C 2.031 177.273 175.328 -0.142 0.000 1.099 198 H CA 1.737 57.714 56.048 -0.120 0.000 1.315 198 H CB -0.078 29.613 29.762 -0.117 0.000 1.380 198 H HN 0.216 nan 8.280 nan 0.000 0.513 199 Y N 0.173 120.278 120.300 -0.325 0.000 2.070 199 Y HA -0.181 4.369 4.550 -0.000 0.000 0.279 199 Y C 2.509 178.287 175.900 -0.203 0.000 1.134 199 Y CA 1.590 59.482 58.100 -0.346 0.000 1.113 199 Y CB -1.109 37.161 38.460 -0.317 0.000 0.981 199 Y HN 0.337 nan 8.280 nan 0.000 0.487 200 L N 0.264 121.615 121.223 0.213 0.000 1.997 200 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 200 L C 2.354 179.300 176.870 0.126 0.000 1.074 200 L CA 1.846 56.807 54.840 0.202 0.000 0.763 200 L CB -1.356 40.762 42.059 0.099 0.000 0.890 200 L HN 0.384 nan 8.230 nan 0.000 0.434 201 L N -0.617 120.616 121.223 0.016 0.000 1.997 201 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 201 L C 0.110 176.942 176.870 -0.064 0.000 1.074 201 L CA 2.128 56.960 54.840 -0.014 0.000 0.763 201 L CB -1.986 40.056 42.059 -0.028 0.000 0.890 201 L HN 0.263 nan 8.230 nan 0.000 0.434 202 P HA -0.218 nan 4.420 nan 0.000 0.217 202 P C 1.403 178.555 177.300 -0.247 0.000 1.151 202 P CA 1.659 64.592 63.100 -0.278 0.000 0.849 202 P CB -0.063 31.355 31.700 -0.470 0.000 0.787 203 F N -1.201 118.748 119.950 -0.001 0.000 2.146 203 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 203 F C 2.357 178.160 175.800 0.004 0.000 1.096 203 F CA 0.959 58.960 58.000 0.003 0.000 1.275 203 F CB -1.646 37.355 39.000 0.001 0.000 1.008 203 F HN -0.257 nan 8.300 nan 0.000 0.480 204 V N 0.614 120.630 119.914 0.171 0.000 2.287 204 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 204 V C 2.403 178.538 176.094 0.069 0.000 1.053 204 V CA 1.711 64.073 62.300 0.103 0.000 1.027 204 V CB -0.711 31.154 31.823 0.070 0.000 0.646 204 V HN 0.283 nan 8.190 nan 0.000 0.447 205 I N 0.607 121.198 120.570 0.034 0.000 2.091 205 I HA -0.329 3.841 4.170 -0.000 0.000 0.239 205 I C 2.821 178.967 176.117 0.049 0.000 1.061 205 I CA 1.830 63.142 61.300 0.021 0.000 1.317 205 I CB -0.931 37.068 38.000 -0.002 0.000 1.031 205 I HN 0.332 nan 8.210 nan 0.000 0.401 206 A N 0.995 123.846 122.820 0.051 0.000 1.915 206 A HA -0.339 3.981 4.320 -0.000 0.000 0.220 206 A C 2.550 180.188 177.584 0.091 0.000 1.198 206 A CA 2.819 54.899 52.037 0.072 0.000 0.647 206 A CB -1.133 17.925 19.000 0.097 0.000 0.825 206 A HN 0.534 nan 8.150 nan 0.000 0.456 207 A N -0.544 122.336 122.820 0.099 0.000 1.865 207 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 207 A C 2.231 179.876 177.584 0.102 0.000 1.191 207 A CA 1.688 53.781 52.037 0.093 0.000 0.623 207 A CB -0.709 18.344 19.000 0.088 0.000 0.826 207 A HN 0.521 nan 8.150 nan 0.000 0.444 208 L N -0.412 120.866 121.223 0.093 0.000 2.012 208 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 208 L C 2.532 179.487 176.870 0.141 0.000 1.073 208 L CA 1.347 56.248 54.840 0.102 0.000 0.748 208 L CB -0.801 41.294 42.059 0.061 0.000 0.891 208 L HN 0.260 nan 8.230 nan 0.000 0.431 209 V N 0.336 120.325 119.914 0.126 0.000 2.370 209 V HA -0.373 3.747 4.120 -0.000 0.000 0.252 209 V C 2.765 178.993 176.094 0.223 0.000 1.068 209 V CA 1.858 64.270 62.300 0.186 0.000 1.061 209 V CB -1.192 30.718 31.823 0.147 0.000 0.656 209 V HN 0.519 nan 8.190 nan 0.000 0.455 210 A N 0.460 123.373 122.820 0.156 0.000 1.834 210 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 210 A C 2.162 179.858 177.584 0.188 0.000 1.203 210 A CA 2.305 54.417 52.037 0.125 0.000 0.621 210 A CB -0.698 18.353 19.000 0.085 0.000 0.841 210 A HN 0.470 nan 8.150 nan 0.000 0.446 211 I N -1.178 119.536 120.570 0.240 0.000 2.185 211 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 211 I C 2.538 178.818 176.117 0.271 0.000 1.088 211 I CA 2.152 63.644 61.300 0.321 0.000 1.347 211 I CB -0.758 37.398 38.000 0.259 0.000 1.041 211 I HN 0.608 nan 8.210 nan 0.000 0.415 212 H N 1.479 120.648 119.070 0.165 0.000 2.265 212 H HA -0.216 4.340 4.556 -0.000 0.000 0.293 212 H C 2.115 177.572 175.328 0.215 0.000 1.089 212 H CA 2.314 58.490 56.048 0.214 0.000 1.244 212 H CB -0.330 29.578 29.762 0.243 0.000 1.355 212 H HN 0.262 nan 8.280 nan 0.000 0.485 213 I N -1.179 119.461 120.570 0.116 0.000 2.226 213 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 213 I C 2.292 178.097 176.117 -0.519 0.000 1.100 213 I CA 1.179 62.181 61.300 -0.496 0.000 1.374 213 I CB -0.522 37.348 38.000 -0.216 0.000 1.057 213 I HN 0.406 nan 8.210 nan 0.000 0.413 214 W N 2.319 123.434 121.300 -0.309 0.000 2.321 214 W HA -0.265 4.395 4.660 -0.000 0.000 0.306 214 W C 2.530 178.962 176.519 -0.146 0.000 1.217 214 W CA 1.775 58.991 57.345 -0.215 0.000 1.257 214 W CB -0.600 28.800 29.460 -0.101 0.000 1.145 214 W HN 0.135 nan 8.180 nan 0.000 0.509 215 A N 0.337 123.097 122.820 -0.100 0.000 1.898 215 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 215 A C 1.947 179.514 177.584 -0.029 0.000 1.181 215 A CA 1.703 53.642 52.037 -0.162 0.000 0.620 215 A CB -1.703 17.259 19.000 -0.063 0.000 0.819 215 A HN 0.516 nan 8.150 nan 0.000 0.442 216 F N -2.088 117.856 119.950 -0.010 0.000 2.748 216 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 216 F C 1.748 177.531 175.800 -0.028 0.000 1.154 216 F CA 0.922 58.897 58.000 -0.043 0.000 1.446 216 F CB -0.786 38.150 39.000 -0.108 0.000 1.112 216 F HN 0.319 nan 8.300 nan 0.000 0.584 217 H N -0.280 118.627 119.070 -0.270 0.000 2.497 217 H HA 0.115 4.671 4.556 -0.000 0.000 0.282 217 H C 1.588 176.906 175.328 -0.017 0.000 1.003 217 H CA 1.172 57.129 56.048 -0.152 0.000 1.307 217 H CB 0.349 29.977 29.762 -0.225 0.000 1.437 217 H HN 0.320 nan 8.280 nan 0.000 0.544 218 S N -0.261 115.481 115.700 0.071 0.000 2.527 218 S HA -0.063 4.407 4.470 -0.000 0.000 0.222 218 S C 1.883 176.488 174.600 0.008 0.000 0.985 218 S CA 1.180 59.401 58.200 0.035 0.000 0.921 218 S CB 0.093 63.252 63.200 -0.069 0.000 0.772 218 S HN 0.605 nan 8.310 nan 0.000 0.529 219 T N -1.943 112.619 114.554 0.014 0.000 3.004 219 T HA 0.521 4.871 4.350 -0.000 0.000 0.266 219 T C 0.807 175.508 174.700 0.002 0.000 0.986 219 T CA 0.315 62.419 62.100 0.007 0.000 0.902 219 T CB 0.435 69.311 68.868 0.014 0.000 1.118 219 T HN 0.542 nan 8.240 nan 0.000 0.522 220 G N 1.473 110.273 108.800 0.000 0.000 2.716 220 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 220 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 220 G C -0.863 174.042 174.900 0.007 0.000 1.337 220 G CA -0.793 44.290 45.100 -0.028 0.000 0.829 220 G HN 0.604 nan 8.290 nan 0.000 0.599 221 N N 0.018 118.707 118.700 -0.017 0.000 2.424 221 N HA 0.453 5.193 4.740 -0.000 0.000 0.257 221 N C 0.482 176.000 175.510 0.013 0.000 1.250 221 N CA -0.088 52.960 53.050 -0.004 0.000 0.946 221 N CB 0.560 39.016 38.487 -0.052 0.000 1.175 221 N HN 0.809 nan 8.380 nan 0.000 0.477 222 N N -0.332 118.425 118.700 0.094 0.000 2.466 222 N HA 0.330 5.070 4.740 -0.000 0.000 0.294 222 N C -1.421 174.186 175.510 0.162 0.000 1.129 222 N CA -0.676 52.440 53.050 0.110 0.000 0.931 222 N CB 0.678 39.233 38.487 0.113 0.000 1.193 222 N HN 0.730 nan 8.380 nan 0.000 0.500 223 N N 0.119 118.828 118.700 0.014 0.000 2.453 223 N HA 0.534 5.274 4.740 -0.000 0.000 0.290 223 N C -2.434 173.009 175.510 -0.113 0.000 1.250 223 N CA -1.564 51.336 53.050 -0.250 0.000 0.815 223 N CB 1.808 40.137 38.487 -0.263 0.000 1.381 223 N HN 0.193 nan 8.380 nan 0.000 0.510 224 P HA -0.152 nan 4.420 nan 0.000 0.222 224 P C 0.796 178.211 177.300 0.192 0.000 1.142 224 P CA 1.404 64.512 63.100 0.014 0.000 0.788 224 P CB -0.015 31.662 31.700 -0.038 0.000 0.767 225 T N -6.266 108.358 114.554 0.116 0.000 3.044 225 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 225 T C 1.683 176.510 174.700 0.213 0.000 1.081 225 T CA 0.630 62.866 62.100 0.227 0.000 1.040 225 T CB -0.699 68.296 68.868 0.212 0.000 0.962 225 T HN 0.183 nan 8.240 nan 0.000 0.506 226 G N 0.931 109.798 108.800 0.112 0.000 2.189 226 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.267 226 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.267 226 G C 0.112 175.033 174.900 0.034 0.000 0.975 226 G CA 0.217 45.352 45.100 0.058 0.000 0.644 226 G HN 0.755 nan 8.290 nan 0.000 0.537 227 V N 1.928 121.870 119.914 0.046 0.000 2.461 227 V HA 0.421 4.541 4.120 -0.000 0.000 0.275 227 V C 0.857 176.945 176.094 -0.010 0.000 1.047 227 V CA -0.934 61.374 62.300 0.013 0.000 0.955 227 V CB 1.557 33.389 31.823 0.015 0.000 0.988 227 V HN 0.300 nan 8.190 nan 0.000 0.471 228 E N 2.566 122.755 120.200 -0.019 0.000 2.435 228 E HA 0.204 4.554 4.350 -0.000 0.000 0.256 228 E C -0.204 176.377 176.600 -0.031 0.000 1.245 228 E CA -0.192 56.192 56.400 -0.027 0.000 0.989 228 E CB 0.807 30.491 29.700 -0.026 0.000 0.983 228 E HN 0.389 nan 8.360 nan 0.000 0.480 229 V N 1.482 121.375 119.914 -0.036 0.000 2.644 229 V HA 0.181 4.301 4.120 -0.000 0.000 0.295 229 V C 0.787 176.863 176.094 -0.029 0.000 1.053 229 V CA -0.375 61.902 62.300 -0.039 0.000 0.987 229 V CB 0.961 32.755 31.823 -0.047 0.000 1.006 229 V HN 0.438 nan 8.190 nan 0.000 0.472 230 R N 3.671 124.156 120.500 -0.025 0.000 2.404 230 R HA 0.180 4.520 4.340 -0.000 0.000 0.315 230 R C 0.460 176.751 176.300 -0.014 0.000 1.032 230 R CA -0.309 55.780 56.100 -0.017 0.000 0.992 230 R CB 0.415 30.707 30.300 -0.014 0.000 0.959 230 R HN 0.492 nan 8.270 nan 0.000 0.428 231 R N 1.605 122.098 120.500 -0.011 0.000 2.388 231 R HA 0.009 4.349 4.340 -0.000 0.000 0.247 231 R C 1.166 177.467 176.300 0.001 0.000 0.931 231 R CA 0.321 56.417 56.100 -0.007 0.000 1.082 231 R CB 0.041 30.336 30.300 -0.009 0.000 1.135 231 R HN 0.666 nan 8.270 nan 0.000 0.525 232 T N -2.158 112.397 114.554 0.002 0.000 2.978 232 T HA 0.015 4.365 4.350 -0.000 0.000 0.262 232 T C 1.020 175.727 174.700 0.011 0.000 1.063 232 T CA 0.403 62.506 62.100 0.006 0.000 1.140 232 T CB 0.119 68.989 68.868 0.003 0.000 0.886 232 T HN 0.186 nan 8.240 nan 0.000 0.470 233 S N -0.234 115.473 115.700 0.012 0.000 2.533 233 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 233 S C 0.253 174.867 174.600 0.022 0.000 1.143 233 S CA -1.102 57.108 58.200 0.017 0.000 0.891 233 S CB 2.120 65.328 63.200 0.014 0.000 1.105 233 S HN 0.139 nan 8.310 nan 0.000 0.468 234 K N 1.562 121.981 120.400 0.032 0.000 2.218 234 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 234 K C 2.212 178.831 176.600 0.032 0.000 1.046 234 K CA 1.583 57.896 56.287 0.042 0.000 0.933 234 K CB -0.635 31.896 32.500 0.051 0.000 0.728 234 K HN 0.702 nan 8.250 nan 0.000 0.454 235 A N 2.799 125.633 122.820 0.024 0.000 1.834 235 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 235 A C 2.187 179.777 177.584 0.011 0.000 1.203 235 A CA 1.948 53.996 52.037 0.018 0.000 0.621 235 A CB -0.577 18.432 19.000 0.015 0.000 0.841 235 A HN 0.540 nan 8.150 nan 0.000 0.446 236 E N -0.185 120.019 120.200 0.007 0.000 2.208 236 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 236 E C 1.999 178.595 176.600 -0.006 0.000 0.988 236 E CA 0.891 57.291 56.400 0.001 0.000 0.828 236 E CB -0.404 29.296 29.700 -0.000 0.000 0.763 236 E HN 0.480 nan 8.360 nan 0.000 0.478 237 A N 2.010 124.829 122.820 -0.002 0.000 1.883 237 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 237 A C 2.216 179.790 177.584 -0.018 0.000 1.186 237 A CA 1.747 53.778 52.037 -0.009 0.000 0.624 237 A CB -0.626 18.375 19.000 0.002 0.000 0.822 237 A HN 0.289 nan 8.150 nan 0.000 0.444 238 Q N -0.374 119.423 119.800 -0.005 0.000 2.297 238 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 238 Q C 1.869 177.844 176.000 -0.043 0.000 0.981 238 Q CA 1.476 57.271 55.803 -0.014 0.000 0.876 238 Q CB -0.174 28.568 28.738 0.008 0.000 0.921 238 Q HN 0.674 nan 8.270 nan 0.000 0.446 239 K N 0.323 120.705 120.400 -0.030 0.000 2.155 239 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 239 K C 1.229 177.792 176.600 -0.061 0.000 1.052 239 K CA 0.939 57.209 56.287 -0.029 0.000 0.948 239 K CB 0.154 32.650 32.500 -0.006 0.000 0.728 239 K HN 0.168 nan 8.250 nan 0.000 0.448 240 D N 0.621 120.978 120.400 -0.071 0.000 2.249 240 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 240 D C 1.250 177.449 176.300 -0.169 0.000 0.962 240 D CA 0.941 54.880 54.000 -0.102 0.000 0.860 240 D CB 0.384 41.143 40.800 -0.068 0.000 0.955 240 D HN 0.318 nan 8.370 nan 0.000 0.505 241 T N -2.022 112.443 114.554 -0.147 0.000 2.762 241 T HA 0.625 4.975 4.350 -0.000 0.000 0.272 241 T C -0.303 174.277 174.700 -0.200 0.000 0.982 241 T CA -0.723 61.284 62.100 -0.154 0.000 1.013 241 T CB 2.017 70.849 68.868 -0.059 0.000 1.309 241 T HN -0.095 nan 8.240 nan 0.000 0.572 242 V N -2.565 117.253 119.914 -0.159 0.000 3.120 242 V HA 0.806 4.926 4.120 -0.000 0.000 0.303 242 V C -3.219 172.892 176.094 0.027 0.000 1.238 242 V CA -2.551 59.617 62.300 -0.219 0.000 1.008 242 V CB 1.866 33.299 31.823 -0.650 0.000 1.064 242 V HN 0.970 nan 8.190 nan 0.000 0.434 243 P HA 0.132 nan 4.420 nan 0.000 0.271 243 P C 0.543 178.062 177.300 0.364 0.000 1.216 243 P CA 0.086 63.351 63.100 0.275 0.000 0.776 243 P CB 0.860 32.725 31.700 0.275 0.000 0.881 244 F N 3.833 123.948 119.950 0.275 0.000 2.065 244 F HA -0.111 4.415 4.527 -0.000 0.000 0.298 244 F C 0.954 176.934 175.800 0.299 0.000 1.112 244 F CA 1.151 59.380 58.000 0.381 0.000 1.212 244 F CB -0.401 38.800 39.000 0.335 0.000 0.975 244 F HN 0.364 nan 8.300 nan 0.000 0.476 245 W N 3.557 124.900 121.300 0.072 0.000 2.351 245 W HA 0.257 4.917 4.660 -0.000 0.000 0.311 245 W C -2.189 174.251 176.519 -0.132 0.000 1.168 245 W CA -2.003 55.285 57.345 -0.095 0.000 1.200 245 W CB 0.955 30.410 29.460 -0.008 0.000 1.221 245 W HN 0.003 nan 8.180 nan 0.000 0.519 246 P HA -0.048 nan 4.420 nan 0.000 0.264 246 P C 0.864 177.607 177.300 -0.929 0.000 1.259 246 P CA 0.534 62.623 63.100 -1.685 0.000 0.841 246 P CB 0.335 30.756 31.700 -2.132 0.000 1.232 247 Y N 0.251 120.200 120.300 -0.585 0.000 1.997 247 Y HA -0.253 4.297 4.550 -0.000 0.000 0.265 247 Y C 2.268 177.834 175.900 -0.557 0.000 1.193 247 Y CA 1.949 59.708 58.100 -0.568 0.000 1.106 247 Y CB -1.787 36.273 38.460 -0.666 0.000 0.940 247 Y HN -0.122 nan 8.280 nan 0.000 0.494 248 F N -1.608 118.209 119.950 -0.222 0.000 2.179 248 F HA -0.090 4.437 4.527 -0.000 0.000 0.292 248 F C 2.370 177.948 175.800 -0.370 0.000 1.089 248 F CA 0.265 58.102 58.000 -0.270 0.000 1.295 248 F CB -0.931 37.940 39.000 -0.214 0.000 1.041 248 F HN -0.051 nan 8.300 nan 0.000 0.487 249 I N 0.324 120.599 120.570 -0.493 0.000 2.227 249 I HA -0.354 3.816 4.170 -0.000 0.000 0.250 249 I C 2.355 178.443 176.117 -0.048 0.000 1.087 249 I CA 1.832 62.995 61.300 -0.229 0.000 1.352 249 I CB -0.927 37.041 38.000 -0.053 0.000 1.043 249 I HN 0.183 nan 8.210 nan 0.000 0.425 250 I N -0.042 120.458 120.570 -0.118 0.000 2.277 250 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 250 I C 2.587 178.780 176.117 0.126 0.000 1.094 250 I CA 0.833 62.116 61.300 -0.029 0.000 1.393 250 I CB -0.360 37.557 38.000 -0.137 0.000 1.078 250 I HN 0.176 nan 8.210 nan 0.000 0.417 251 K N 0.955 121.452 120.400 0.161 0.000 2.044 251 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 251 K C 1.716 178.527 176.600 0.351 0.000 1.049 251 K CA 2.036 58.538 56.287 0.358 0.000 0.927 251 K CB -0.087 32.626 32.500 0.354 0.000 0.713 251 K HN 0.263 nan 8.250 nan 0.000 0.443 252 D N 0.075 120.620 120.400 0.241 0.000 2.087 252 D HA -0.166 4.474 4.640 -0.000 0.000 0.192 252 D C 2.001 178.368 176.300 0.111 0.000 0.993 252 D CA 1.403 55.507 54.000 0.173 0.000 0.828 252 D CB -0.370 40.542 40.800 0.188 0.000 0.968 252 D HN 0.034 nan 8.370 nan 0.000 0.448 253 V N 1.525 121.518 119.914 0.132 0.000 2.332 253 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 253 V C 2.227 178.400 176.094 0.132 0.000 1.055 253 V CA 1.440 63.808 62.300 0.113 0.000 1.038 253 V CB -0.642 31.257 31.823 0.126 0.000 0.651 253 V HN 0.086 nan 8.190 nan 0.000 0.450 254 F N 1.959 121.935 119.950 0.043 0.000 2.025 254 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 254 F C 2.312 178.100 175.800 -0.021 0.000 1.132 254 F CA 1.680 59.700 58.000 0.033 0.000 1.191 254 F CB -1.195 37.861 39.000 0.094 0.000 0.963 254 F HN 0.086 nan 8.300 nan 0.000 0.481 255 A N 0.830 123.356 122.820 -0.491 0.000 1.873 255 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 255 A C 2.224 179.532 177.584 -0.460 0.000 1.193 255 A CA 1.963 53.565 52.037 -0.726 0.000 0.629 255 A CB -1.576 17.155 19.000 -0.448 0.000 0.826 255 A HN 0.524 nan 8.150 nan 0.000 0.447 256 L N -0.414 120.647 121.223 -0.269 0.000 2.103 256 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 256 L C 2.769 179.494 176.870 -0.241 0.000 1.080 256 L CA 2.312 57.001 54.840 -0.252 0.000 0.764 256 L CB -0.689 41.273 42.059 -0.160 0.000 0.890 256 L HN 0.437 nan 8.230 nan 0.000 0.435 257 A N -1.605 121.119 122.820 -0.160 0.000 1.855 257 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 257 A C 2.226 179.756 177.584 -0.091 0.000 1.191 257 A CA 1.917 53.909 52.037 -0.075 0.000 0.613 257 A CB -1.070 17.946 19.000 0.027 0.000 0.829 257 A HN 0.251 nan 8.150 nan 0.000 0.442 258 V N 0.074 119.863 119.914 -0.207 0.000 2.282 258 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 258 V C 2.562 178.590 176.094 -0.110 0.000 1.057 258 V CA 2.134 64.320 62.300 -0.189 0.000 1.032 258 V CB -1.215 30.367 31.823 -0.401 0.000 0.645 258 V HN 0.371 nan 8.190 nan 0.000 0.447 259 V N -0.072 119.745 119.914 -0.161 0.000 2.233 259 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 259 V C 2.363 178.485 176.094 0.046 0.000 1.050 259 V CA 2.272 64.530 62.300 -0.070 0.000 1.010 259 V CB -0.732 31.003 31.823 -0.146 0.000 0.637 259 V HN 0.441 nan 8.190 nan 0.000 0.444 260 L N -0.572 120.661 121.223 0.017 0.000 2.129 260 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 260 L C 2.519 179.639 176.870 0.416 0.000 1.087 260 L CA 1.217 56.206 54.840 0.248 0.000 0.757 260 L CB -0.720 41.456 42.059 0.194 0.000 0.896 260 L HN 0.376 nan 8.230 nan 0.000 0.434 261 L N -0.040 121.315 121.223 0.221 0.000 1.970 261 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 261 L C 2.434 179.438 176.870 0.224 0.000 1.071 261 L CA 1.935 56.893 54.840 0.196 0.000 0.751 261 L CB -0.685 41.434 42.059 0.099 0.000 0.889 261 L HN -0.049 nan 8.230 nan 0.000 0.432 262 V N -0.425 119.595 119.914 0.178 0.000 2.343 262 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 262 V C 2.348 178.575 176.094 0.220 0.000 1.051 262 V CA 1.936 64.339 62.300 0.171 0.000 1.036 262 V CB -1.150 30.756 31.823 0.138 0.000 0.654 262 V HN 0.535 nan 8.190 nan 0.000 0.451 263 F N 1.053 121.051 119.950 0.081 0.000 2.043 263 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 263 F C 2.105 177.893 175.800 -0.021 0.000 1.121 263 F CA 1.609 59.615 58.000 0.010 0.000 1.199 263 F CB -0.840 38.117 39.000 -0.073 0.000 0.968 263 F HN 0.137 nan 8.300 nan 0.000 0.478 264 F N 0.623 120.482 119.950 -0.151 0.000 2.161 264 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 264 F C 2.630 178.330 175.800 -0.168 0.000 1.089 264 F CA 1.486 59.327 58.000 -0.264 0.000 1.282 264 F CB -1.389 37.564 39.000 -0.079 0.000 1.010 264 F HN 0.119 nan 8.300 nan 0.000 0.485 265 A N 0.552 123.477 122.820 0.175 0.000 1.927 265 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 265 A C 2.256 179.942 177.584 0.170 0.000 1.185 265 A CA 1.955 54.142 52.037 0.250 0.000 0.639 265 A CB -0.884 18.262 19.000 0.244 0.000 0.820 265 A HN 0.298 nan 8.150 nan 0.000 0.451 266 I N -0.043 120.554 120.570 0.045 0.000 2.133 266 I HA -0.170 4.000 4.170 -0.000 0.000 0.238 266 I C 2.478 178.531 176.117 -0.105 0.000 1.074 266 I CA 1.417 62.721 61.300 0.006 0.000 1.342 266 I CB -1.551 36.468 38.000 0.032 0.000 1.053 266 I HN 0.178 nan 8.210 nan 0.000 0.404 267 V N 1.380 121.131 119.914 -0.272 0.000 2.568 267 V HA -0.155 3.965 4.120 -0.000 0.000 0.253 267 V C 2.543 178.511 176.094 -0.210 0.000 1.072 267 V CA 1.837 63.956 62.300 -0.302 0.000 1.084 267 V CB -1.592 29.907 31.823 -0.540 0.000 0.676 267 V HN 0.539 nan 8.190 nan 0.000 0.469 268 G N -0.717 107.928 108.800 -0.258 0.000 2.447 268 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.211 268 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.211 268 G C 1.264 175.827 174.900 -0.563 0.000 1.184 268 G CA 0.496 45.325 45.100 -0.450 0.000 0.813 268 G HN 0.469 nan 8.290 nan 0.000 0.540 269 F N 0.533 120.476 119.950 -0.012 0.000 2.446 269 F HA 0.370 4.897 4.527 -0.000 0.000 0.292 269 F C 1.689 177.459 175.800 -0.050 0.000 1.096 269 F CA 0.355 58.339 58.000 -0.026 0.000 1.438 269 F CB 0.146 39.132 39.000 -0.023 0.000 1.107 269 F HN 0.068 nan 8.300 nan 0.000 0.546 270 M N -0.361 119.279 119.600 0.065 0.000 3.269 270 M HA 0.379 4.859 4.480 -0.000 0.000 0.340 270 M C -2.466 173.827 176.300 -0.012 0.000 1.662 270 M CA -1.265 54.053 55.300 0.029 0.000 0.547 270 M CB 0.973 33.586 32.600 0.020 0.000 1.449 270 M HN -0.277 nan 8.290 nan 0.000 0.459 271 P HA -0.126 nan 4.420 nan 0.000 0.218 271 P C 0.338 177.541 177.300 -0.162 0.000 1.149 271 P CA 1.455 64.348 63.100 -0.346 0.000 0.817 271 P CB 0.036 31.097 31.700 -1.065 0.000 0.785 272 N N -1.568 117.096 118.700 -0.060 0.000 2.322 272 N HA -0.047 4.693 4.740 -0.000 0.000 0.194 272 N C 1.492 177.106 175.510 0.174 0.000 1.126 272 N CA -0.064 53.064 53.050 0.130 0.000 0.845 272 N CB -0.517 38.099 38.487 0.215 0.000 0.976 272 N HN 0.169 nan 8.380 nan 0.000 0.475 273 Y N 1.945 122.265 120.300 0.033 0.000 2.070 273 Y HA -0.052 4.498 4.550 -0.000 0.000 0.279 273 Y C 1.867 177.792 175.900 0.043 0.000 1.134 273 Y CA 1.402 59.520 58.100 0.029 0.000 1.113 273 Y CB -0.502 37.964 38.460 0.010 0.000 0.981 273 Y HN -0.049 nan 8.280 nan 0.000 0.487 274 L N 0.363 121.558 121.223 -0.047 0.000 2.633 274 L HA 0.039 4.379 4.340 -0.000 0.000 0.235 274 L C 1.057 177.947 176.870 0.033 0.000 1.163 274 L CA 0.413 55.200 54.840 -0.089 0.000 0.859 274 L CB -1.201 40.936 42.059 0.130 0.000 0.973 274 L HN 0.294 nan 8.230 nan 0.000 0.451 275 G N -2.525 106.302 108.800 0.046 0.000 2.600 275 G HA2 0.286 4.246 3.960 -0.000 0.000 0.303 275 G HA3 0.286 4.246 3.960 -0.000 0.000 0.303 275 G C -1.413 173.550 174.900 0.106 0.000 1.253 275 G CA -0.436 44.729 45.100 0.109 0.000 0.974 275 G HN -0.029 nan 8.290 nan 0.000 0.483 276 H N 1.037 120.166 119.070 0.098 0.000 2.705 276 H HA 0.282 4.838 4.556 -0.000 0.000 0.291 276 H C -1.560 173.840 175.328 0.121 0.000 1.085 276 H CA -1.912 54.196 56.048 0.100 0.000 1.357 276 H CB 1.947 31.779 29.762 0.117 0.000 1.419 276 H HN 0.063 nan 8.280 nan 0.000 0.462 277 P HA -0.147 nan 4.420 nan 0.000 0.219 277 P C 0.618 178.177 177.300 0.432 0.000 1.144 277 P CA 1.187 64.504 63.100 0.363 0.000 0.806 277 P CB 0.425 32.245 31.700 0.201 0.000 0.771 278 D N -2.293 118.469 120.400 0.604 0.000 2.347 278 D HA -0.057 4.583 4.640 -0.000 0.000 0.215 278 D C 1.331 177.698 176.300 0.111 0.000 0.976 278 D CA 0.626 54.794 54.000 0.279 0.000 0.884 278 D CB -0.739 40.119 40.800 0.097 0.000 0.915 278 D HN 0.038 nan 8.370 nan 0.000 0.526 279 N N -0.657 118.094 118.700 0.086 0.000 2.383 279 N HA -0.049 4.691 4.740 -0.000 0.000 0.192 279 N C -0.104 175.402 175.510 -0.007 0.000 1.141 279 N CA 0.198 53.212 53.050 -0.060 0.000 0.851 279 N CB 0.001 38.400 38.487 -0.148 0.000 0.976 279 N HN 0.156 nan 8.380 nan 0.000 0.465 280 Y N -0.347 120.084 120.300 0.218 0.000 2.571 280 Y HA 0.333 4.883 4.550 -0.000 0.000 0.275 280 Y C 0.091 176.138 175.900 0.245 0.000 1.179 280 Y CA -0.360 57.936 58.100 0.327 0.000 1.242 280 Y CB 0.386 39.006 38.460 0.266 0.000 1.126 280 Y HN -0.060 nan 8.280 nan 0.000 0.524 281 I N 0.928 121.587 120.570 0.149 0.000 2.404 281 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 281 I C 0.116 176.021 176.117 -0.353 0.000 0.992 281 I CA -1.080 60.212 61.300 -0.015 0.000 1.149 281 I CB 1.451 39.459 38.000 0.013 0.000 1.315 281 I HN 0.146 nan 8.210 nan 0.000 0.446 282 E N 3.542 123.456 120.200 -0.477 0.000 2.413 282 E HA 0.283 4.633 4.350 -0.000 0.000 0.263 282 E C 0.231 176.550 176.600 -0.469 0.000 1.015 282 E CA -0.392 55.561 56.400 -0.744 0.000 0.916 282 E CB 0.662 30.108 29.700 -0.424 0.000 0.947 282 E HN 0.686 nan 8.360 nan 0.000 0.440 283 A N 3.531 126.020 122.820 -0.551 0.000 2.565 283 A HA -0.020 4.300 4.320 -0.000 0.000 0.237 283 A C 0.108 177.366 177.584 -0.542 0.000 1.053 283 A CA 0.058 51.711 52.037 -0.639 0.000 0.755 283 A CB 0.042 18.357 19.000 -1.142 0.000 0.980 283 A HN 0.555 nan 8.150 nan 0.000 0.506 284 N N 2.632 121.053 118.700 -0.464 0.000 2.504 284 N HA 0.399 5.139 4.740 -0.000 0.000 0.280 284 N C -2.575 172.754 175.510 -0.302 0.000 1.052 284 N CA -2.059 50.819 53.050 -0.286 0.000 0.887 284 N CB 2.028 40.487 38.487 -0.047 0.000 1.323 284 N HN 0.122 nan 8.380 nan 0.000 0.509 285 P HA 0.089 nan 4.420 nan 0.000 0.230 285 P C 0.591 178.035 177.300 0.240 0.000 1.158 285 P CA 0.846 63.788 63.100 -0.263 0.000 0.769 285 P CB 0.401 31.929 31.700 -0.286 0.000 0.807 286 L N -1.518 119.827 121.223 0.203 0.000 2.910 286 L HA 0.297 4.637 4.340 -0.000 0.000 0.252 286 L C 0.398 177.403 176.870 0.224 0.000 1.195 286 L CA 0.030 55.002 54.840 0.219 0.000 1.003 286 L CB 0.127 42.246 42.059 0.100 0.000 1.328 286 L HN -0.152 nan 8.230 nan 0.000 0.540 287 R N -0.424 120.295 120.500 0.365 0.000 2.522 287 R HA 0.344 4.684 4.340 -0.000 0.000 0.273 287 R C -1.106 175.232 176.300 0.063 0.000 1.133 287 R CA -0.344 55.844 56.100 0.146 0.000 0.969 287 R CB 2.253 32.604 30.300 0.085 0.000 1.235 287 R HN -0.199 nan 8.270 nan 0.000 0.433 288 T N 4.088 118.383 114.554 -0.431 0.000 2.758 288 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 288 T C -2.343 172.115 174.700 -0.402 0.000 0.981 288 T CA -1.516 60.043 62.100 -0.903 0.000 0.965 288 T CB 1.429 69.550 68.868 -1.244 0.000 0.927 288 T HN 0.197 nan 8.240 nan 0.000 0.448 289 P HA 0.148 nan 4.420 nan 0.000 0.264 289 P C 0.528 177.711 177.300 -0.195 0.000 1.183 289 P CA -0.153 62.864 63.100 -0.139 0.000 0.763 289 P CB 0.448 32.119 31.700 -0.049 0.000 0.807 290 A N 3.203 125.875 122.820 -0.247 0.000 2.070 290 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 290 A C 1.054 178.421 177.584 -0.362 0.000 1.159 290 A CA 1.389 53.215 52.037 -0.351 0.000 0.656 290 A CB -0.815 17.893 19.000 -0.488 0.000 0.800 290 A HN 0.602 nan 8.150 nan 0.000 0.453 291 H N -1.180 117.901 119.070 0.019 0.000 2.487 291 H HA 0.268 4.824 4.556 -0.000 0.000 0.290 291 H C 0.195 175.595 175.328 0.120 0.000 1.081 291 H CA -0.937 55.153 56.048 0.070 0.000 1.116 291 H CB -0.421 29.406 29.762 0.107 0.000 1.560 291 H HN 0.509 nan 8.280 nan 0.000 0.548 292 I N 2.113 122.721 120.570 0.062 0.000 2.828 292 I HA -0.054 4.116 4.170 -0.000 0.000 0.292 292 I C -0.760 175.354 176.117 -0.006 0.000 1.206 292 I CA 0.510 61.788 61.300 -0.036 0.000 1.420 292 I CB -0.016 37.927 38.000 -0.095 0.000 1.368 292 I HN -0.199 nan 8.210 nan 0.000 0.556 293 V N 7.546 127.456 119.914 -0.007 0.000 2.888 293 V HA 0.472 4.592 4.120 -0.000 0.000 0.309 293 V C -2.183 173.816 176.094 -0.158 0.000 1.114 293 V CA -1.260 60.984 62.300 -0.094 0.000 0.940 293 V CB 1.692 33.526 31.823 0.019 0.000 1.021 293 V HN 0.678 nan 8.190 nan 0.000 0.426 294 P HA 0.343 nan 4.420 nan 0.000 0.277 294 P C -0.846 176.267 177.300 -0.312 0.000 1.276 294 P CA -0.610 62.311 63.100 -0.299 0.000 0.788 294 P CB 0.444 31.909 31.700 -0.392 0.000 1.114 295 E N 0.741 120.645 120.200 -0.493 0.000 2.324 295 E HA -0.040 4.310 4.350 -0.000 0.000 0.271 295 E C 1.067 177.120 176.600 -0.911 0.000 1.028 295 E CA -0.103 55.742 56.400 -0.924 0.000 0.890 295 E CB -0.292 28.339 29.700 -1.782 0.000 1.004 295 E HN 0.518 nan 8.360 nan 0.000 0.431 296 W N 4.953 125.924 121.300 -0.549 0.000 2.274 296 W HA -0.390 4.270 4.660 -0.000 0.000 0.314 296 W C 0.823 177.184 176.519 -0.264 0.000 1.254 296 W CA 1.609 58.755 57.345 -0.332 0.000 1.265 296 W CB -1.082 28.256 29.460 -0.202 0.000 1.141 296 W HN 0.750 nan 8.180 nan 0.000 0.505 297 Y N -2.275 116.985 120.300 -1.734 0.000 2.680 297 Y HA 0.115 4.665 4.550 -0.000 0.000 0.303 297 Y C 1.474 176.986 175.900 -0.647 0.000 1.166 297 Y CA -0.033 57.135 58.100 -1.554 0.000 1.344 297 Y CB -1.795 35.373 38.460 -2.154 0.000 1.002 297 Y HN -0.167 nan 8.280 nan 0.000 0.537 298 F N -0.642 119.036 119.950 -0.454 0.000 2.680 298 F HA 0.216 4.743 4.527 -0.000 0.000 0.290 298 F C 1.900 177.627 175.800 -0.121 0.000 1.114 298 F CA -1.011 56.874 58.000 -0.192 0.000 1.333 298 F CB -0.697 38.136 39.000 -0.278 0.000 1.091 298 F HN 0.069 nan 8.300 nan 0.000 0.606 299 L N 1.601 122.819 121.223 -0.008 0.000 2.026 299 L HA -0.292 4.048 4.340 -0.000 0.000 0.231 299 L C -0.084 176.741 176.870 -0.076 0.000 1.095 299 L CA 2.407 57.234 54.840 -0.022 0.000 0.810 299 L CB -2.261 39.762 42.059 -0.060 0.000 0.909 299 L HN 0.059 nan 8.230 nan 0.000 0.444 300 P HA -0.240 nan 4.420 nan 0.000 0.215 300 P C 1.633 178.615 177.300 -0.530 0.000 1.163 300 P CA 1.981 64.734 63.100 -0.578 0.000 0.894 300 P CB -0.267 30.772 31.700 -1.102 0.000 0.791 301 F N -1.731 118.086 119.950 -0.222 0.000 2.269 301 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 301 F C 2.757 178.455 175.800 -0.171 0.000 1.082 301 F CA 1.004 58.867 58.000 -0.228 0.000 1.360 301 F CB -1.629 37.237 39.000 -0.224 0.000 1.041 301 F HN -0.074 nan 8.300 nan 0.000 0.512 302 Y N 0.812 121.044 120.300 -0.112 0.000 2.184 302 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 302 Y C 2.344 178.152 175.900 -0.155 0.000 1.129 302 Y CA 0.878 58.896 58.100 -0.136 0.000 1.144 302 Y CB -0.917 37.471 38.460 -0.122 0.000 0.995 302 Y HN -0.038 nan 8.280 nan 0.000 0.513 303 A N 1.401 124.089 122.820 -0.219 0.000 1.859 303 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 303 A C 2.359 179.735 177.584 -0.346 0.000 1.209 303 A CA 2.601 54.433 52.037 -0.342 0.000 0.639 303 A CB -1.444 17.408 19.000 -0.247 0.000 0.835 303 A HN 0.594 nan 8.150 nan 0.000 0.450 304 I N -0.772 119.644 120.570 -0.255 0.000 2.091 304 I HA -0.345 3.825 4.170 -0.000 0.000 0.240 304 I C 2.584 178.636 176.117 -0.109 0.000 1.046 304 I CA 2.104 63.312 61.300 -0.153 0.000 1.306 304 I CB -0.484 37.485 38.000 -0.052 0.000 1.018 304 I HN 0.519 nan 8.210 nan 0.000 0.404 305 L N 1.385 122.547 121.223 -0.101 0.000 2.043 305 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 305 L C 2.703 179.502 176.870 -0.118 0.000 1.075 305 L CA 1.934 56.740 54.840 -0.057 0.000 0.752 305 L CB -0.315 41.674 42.059 -0.118 0.000 0.891 305 L HN 0.270 nan 8.230 nan 0.000 0.432 306 R N -0.918 119.386 120.500 -0.327 0.000 2.310 306 R HA 0.215 4.555 4.340 -0.000 0.000 0.202 306 R C 1.835 177.943 176.300 -0.321 0.000 0.933 306 R CA 0.677 56.584 56.100 -0.321 0.000 1.054 306 R CB -0.425 29.587 30.300 -0.480 0.000 0.985 306 R HN 0.293 nan 8.270 nan 0.000 0.489 307 A N 1.636 124.193 122.820 -0.439 0.000 1.898 307 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 307 A C 0.310 177.541 177.584 -0.589 0.000 1.181 307 A CA 0.531 52.211 52.037 -0.594 0.000 0.620 307 A CB -0.435 18.052 19.000 -0.855 0.000 0.819 307 A HN 0.303 nan 8.150 nan 0.000 0.442 308 F N 2.213 122.120 119.950 -0.072 0.000 2.494 308 F HA 0.304 4.831 4.527 -0.000 0.000 0.351 308 F C 1.154 176.905 175.800 -0.081 0.000 1.205 308 F CA 0.037 58.003 58.000 -0.057 0.000 1.125 308 F CB -0.401 38.686 39.000 0.146 0.000 1.268 308 F HN 0.125 nan 8.300 nan 0.000 0.593 309 T N -1.359 113.189 114.554 -0.010 0.000 2.936 309 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 309 T C 1.216 175.897 174.700 -0.032 0.000 1.003 309 T CA -0.508 61.574 62.100 -0.031 0.000 1.005 309 T CB 1.728 70.551 68.868 -0.075 0.000 1.097 309 T HN 0.462 nan 8.240 nan 0.000 0.532 310 A N 0.271 123.078 122.820 -0.022 0.000 2.259 310 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 310 A C 1.328 178.899 177.584 -0.022 0.000 1.178 310 A CA 0.932 52.957 52.037 -0.020 0.000 0.734 310 A CB -0.733 18.265 19.000 -0.003 0.000 0.774 310 A HN 0.867 nan 8.150 nan 0.000 0.481 311 D N -0.511 119.871 120.400 -0.031 0.000 2.395 311 D HA 0.174 4.814 4.640 -0.000 0.000 0.213 311 D C -0.142 176.146 176.300 -0.020 0.000 1.110 311 D CA -0.026 53.969 54.000 -0.009 0.000 0.835 311 D CB 0.227 41.016 40.800 -0.017 0.000 0.965 311 D HN 0.154 nan 8.370 nan 0.000 0.505 312 V N 1.808 121.682 119.914 -0.066 0.000 2.461 312 V HA -0.017 4.103 4.120 -0.000 0.000 0.275 312 V C 1.030 177.135 176.094 0.017 0.000 1.047 312 V CA -0.724 61.510 62.300 -0.110 0.000 0.955 312 V CB 1.278 33.040 31.823 -0.102 0.000 0.988 312 V HN 0.104 nan 8.190 nan 0.000 0.471 313 W N 3.526 124.767 121.300 -0.098 0.000 2.302 313 W HA -0.184 4.476 4.660 -0.000 0.000 0.320 313 W C 2.078 178.529 176.519 -0.114 0.000 1.241 313 W CA 1.653 58.949 57.345 -0.082 0.000 1.264 313 W CB -1.396 28.043 29.460 -0.035 0.000 1.154 313 W HN 0.506 nan 8.180 nan 0.000 0.483 314 V N -0.097 119.873 119.914 0.094 0.000 2.392 314 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 314 V C 2.189 178.119 176.094 -0.273 0.000 1.059 314 V CA 1.803 64.078 62.300 -0.042 0.000 1.051 314 V CB -1.789 30.007 31.823 -0.046 0.000 0.658 314 V HN 0.038 nan 8.190 nan 0.000 0.455 315 V N 0.436 120.066 119.914 -0.474 0.000 2.255 315 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 315 V C 2.732 178.673 176.094 -0.255 0.000 1.051 315 V CA 2.479 64.380 62.300 -0.666 0.000 1.018 315 V CB -0.810 30.719 31.823 -0.490 0.000 0.641 315 V HN 0.644 nan 8.190 nan 0.000 0.445 316 Q N -0.421 119.315 119.800 -0.107 0.000 2.002 316 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 316 Q C 2.302 178.317 176.000 0.025 0.000 0.988 316 Q CA 2.141 57.931 55.803 -0.022 0.000 0.843 316 Q CB -0.492 28.245 28.738 -0.003 0.000 0.908 316 Q HN 0.545 nan 8.270 nan 0.000 0.420 317 I N 1.471 122.056 120.570 0.026 0.000 2.091 317 I HA -0.384 3.786 4.170 -0.000 0.000 0.240 317 I C 2.630 178.816 176.117 0.115 0.000 1.046 317 I CA 1.474 62.822 61.300 0.080 0.000 1.306 317 I CB -0.680 37.359 38.000 0.066 0.000 1.018 317 I HN 0.238 nan 8.210 nan 0.000 0.404 318 A N 0.687 123.538 122.820 0.052 0.000 1.892 318 A HA -0.337 3.983 4.320 -0.000 0.000 0.218 318 A C 2.056 179.695 177.584 0.093 0.000 1.188 318 A CA 2.638 54.721 52.037 0.078 0.000 0.631 318 A CB -1.272 17.774 19.000 0.077 0.000 0.822 318 A HN 0.621 nan 8.150 nan 0.000 0.447 319 N N -1.912 116.830 118.700 0.070 0.000 2.149 319 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 319 N C 1.525 177.099 175.510 0.106 0.000 1.019 319 N CA 1.624 54.728 53.050 0.090 0.000 0.857 319 N CB -0.267 38.260 38.487 0.067 0.000 0.997 319 N HN 0.397 nan 8.380 nan 0.000 0.426 320 F N 1.690 121.606 119.950 -0.057 0.000 2.014 320 F HA -0.063 4.464 4.527 -0.000 0.000 0.295 320 F C 1.969 177.663 175.800 -0.176 0.000 1.145 320 F CA 1.393 59.321 58.000 -0.121 0.000 1.178 320 F CB -0.777 38.154 39.000 -0.114 0.000 0.972 320 F HN 0.049 nan 8.300 nan 0.000 0.476 321 I N 0.294 120.750 120.570 -0.190 0.000 2.236 321 I HA -0.351 3.819 4.170 -0.000 0.000 0.249 321 I C 2.213 178.287 176.117 -0.072 0.000 1.102 321 I CA 1.937 63.095 61.300 -0.236 0.000 1.365 321 I CB -0.988 37.005 38.000 -0.011 0.000 1.051 321 I HN 0.369 nan 8.210 nan 0.000 0.420 322 S N -0.194 115.539 115.700 0.054 0.000 2.631 322 S HA 0.031 4.501 4.470 -0.000 0.000 0.217 322 S C 0.693 175.526 174.600 0.389 0.000 0.958 322 S CA -0.457 57.885 58.200 0.236 0.000 0.920 322 S CB -0.605 62.700 63.200 0.176 0.000 0.776 322 S HN 0.383 nan 8.310 nan 0.000 0.517 323 F N 0.966 120.859 119.950 -0.094 0.000 3.074 323 F HA -0.132 4.395 4.527 -0.000 0.000 0.287 323 F C 1.584 177.376 175.800 -0.014 0.000 0.932 323 F CA 0.618 58.574 58.000 -0.072 0.000 0.995 323 F CB -2.014 36.943 39.000 -0.073 0.000 0.966 323 F HN 0.536 nan 8.300 nan 0.000 0.721 324 G N -0.656 108.220 108.800 0.127 0.000 2.458 324 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.237 324 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.237 324 G C 1.202 176.171 174.900 0.116 0.000 1.113 324 G CA 0.292 45.458 45.100 0.110 0.000 0.655 324 G HN 0.532 nan 8.290 nan 0.000 0.513 325 I N 1.308 121.953 120.570 0.125 0.000 2.147 325 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 325 I C 1.533 177.745 176.117 0.158 0.000 1.059 325 I CA 1.718 63.077 61.300 0.098 0.000 1.320 325 I CB -0.128 37.925 38.000 0.087 0.000 1.021 325 I HN 0.336 nan 8.210 nan 0.000 0.415 326 I N 1.469 122.172 120.570 0.221 0.000 2.243 326 I HA 0.050 4.220 4.170 -0.000 0.000 0.289 326 I C 0.031 176.302 176.117 0.256 0.000 1.140 326 I CA -0.720 60.781 61.300 0.335 0.000 1.289 326 I CB -0.573 37.607 38.000 0.299 0.000 1.498 326 I HN 0.220 nan 8.210 nan 0.000 0.561 327 D N 3.603 124.140 120.400 0.227 0.000 2.425 327 D HA 0.227 4.867 4.640 -0.000 0.000 0.274 327 D C 1.423 177.827 176.300 0.173 0.000 1.242 327 D CA -0.278 53.814 54.000 0.153 0.000 1.060 327 D CB 0.715 41.582 40.800 0.112 0.000 1.112 327 D HN 0.227 nan 8.370 nan 0.000 0.561 328 A N -0.365 122.516 122.820 0.102 0.000 1.851 328 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 328 A C 1.998 179.691 177.584 0.182 0.000 1.195 328 A CA 2.616 54.716 52.037 0.104 0.000 0.622 328 A CB -1.136 17.895 19.000 0.051 0.000 0.831 328 A HN 0.704 nan 8.150 nan 0.000 0.444 329 K N -1.578 118.912 120.400 0.150 0.000 2.030 329 K HA -0.265 4.055 4.320 -0.000 0.000 0.222 329 K C 1.774 178.504 176.600 0.216 0.000 1.056 329 K CA 2.383 58.762 56.287 0.154 0.000 0.957 329 K CB -0.497 32.081 32.500 0.130 0.000 0.727 329 K HN 0.367 nan 8.250 nan 0.000 0.452 330 F N 0.614 120.608 119.950 0.074 0.000 2.293 330 F HA -0.103 4.423 4.527 -0.000 0.000 0.300 330 F C 1.826 177.657 175.800 0.053 0.000 1.086 330 F CA 0.899 58.931 58.000 0.053 0.000 1.375 330 F CB -0.513 38.515 39.000 0.046 0.000 1.045 330 F HN 0.162 nan 8.300 nan 0.000 0.516 331 F N 0.579 120.460 119.950 -0.114 0.000 2.084 331 F HA 0.021 4.548 4.527 -0.000 0.000 0.296 331 F C 2.508 178.152 175.800 -0.261 0.000 1.111 331 F CA 1.939 59.770 58.000 -0.281 0.000 1.224 331 F CB -1.106 37.775 39.000 -0.199 0.000 0.991 331 F HN -0.041 nan 8.300 nan 0.000 0.471 332 G N 0.182 109.075 108.800 0.157 0.000 2.476 332 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G C 1.752 176.626 174.900 -0.044 0.000 1.164 332 G CA 1.477 46.667 45.100 0.151 0.000 0.768 332 G HN 0.365 nan 8.290 nan 0.000 0.560 333 V N 0.895 120.764 119.914 -0.074 0.000 2.261 333 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 333 V C 2.953 178.953 176.094 -0.157 0.000 1.047 333 V CA 1.798 64.041 62.300 -0.095 0.000 1.015 333 V CB -0.559 31.293 31.823 0.049 0.000 0.642 333 V HN 0.362 nan 8.190 nan 0.000 0.446 334 L N 0.082 121.077 121.223 -0.381 0.000 2.042 334 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 334 L C 2.725 179.398 176.870 -0.328 0.000 1.076 334 L CA 1.681 56.262 54.840 -0.432 0.000 0.749 334 L CB -0.838 40.756 42.059 -0.775 0.000 0.893 334 L HN 0.370 nan 8.230 nan 0.000 0.432 335 A N -0.511 122.037 122.820 -0.452 0.000 1.908 335 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 335 A C 2.320 179.957 177.584 0.089 0.000 1.181 335 A CA 2.209 54.082 52.037 -0.273 0.000 0.627 335 A CB -0.521 18.339 19.000 -0.234 0.000 0.818 335 A HN 0.419 nan 8.150 nan 0.000 0.445 336 M N -1.702 117.877 119.600 -0.035 0.000 2.074 336 M HA -0.080 4.400 4.480 -0.000 0.000 0.259 336 M C 1.950 178.179 176.300 -0.119 0.000 1.079 336 M CA 2.015 57.258 55.300 -0.095 0.000 1.119 336 M CB -0.295 32.104 32.600 -0.334 0.000 1.297 336 M HN 0.356 nan 8.290 nan 0.000 0.416 337 F N 0.434 120.343 119.950 -0.067 0.000 2.192 337 F HA -0.139 4.388 4.527 -0.000 0.000 0.301 337 F C 2.441 178.236 175.800 -0.008 0.000 1.079 337 F CA 1.552 59.503 58.000 -0.082 0.000 1.303 337 F CB -1.589 37.340 39.000 -0.120 0.000 1.024 337 F HN 0.326 nan 8.300 nan 0.000 0.494 338 G N -0.549 108.365 108.800 0.189 0.000 2.421 338 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 338 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 338 G C 1.946 177.021 174.900 0.291 0.000 1.171 338 G CA 0.823 46.057 45.100 0.225 0.000 0.775 338 G HN 0.459 nan 8.290 nan 0.000 0.543 339 A N 0.498 123.504 122.820 0.310 0.000 1.986 339 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 339 A C 2.378 180.104 177.584 0.237 0.000 1.171 339 A CA 1.548 53.626 52.037 0.069 0.000 0.640 339 A CB -0.322 18.623 19.000 -0.092 0.000 0.811 339 A HN 0.440 nan 8.150 nan 0.000 0.451 340 I N -1.414 119.280 120.570 0.206 0.000 2.296 340 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 340 I C 2.318 178.505 176.117 0.117 0.000 1.087 340 I CA 0.804 62.212 61.300 0.180 0.000 1.393 340 I CB -0.348 37.685 38.000 0.056 0.000 1.093 340 I HN 0.387 nan 8.210 nan 0.000 0.421 341 L N 1.606 122.900 121.223 0.118 0.000 2.051 341 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 341 L C 2.568 179.477 176.870 0.064 0.000 1.076 341 L CA 2.296 57.194 54.840 0.097 0.000 0.758 341 L CB -0.882 41.234 42.059 0.096 0.000 0.890 341 L HN 0.276 nan 8.230 nan 0.000 0.433 342 V N -2.097 117.828 119.914 0.019 0.000 2.332 342 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 342 V C 2.511 178.469 176.094 -0.226 0.000 1.055 342 V CA 2.271 64.528 62.300 -0.072 0.000 1.038 342 V CB -1.139 30.605 31.823 -0.130 0.000 0.651 342 V HN 0.659 nan 8.190 nan 0.000 0.450 343 M N 0.928 120.286 119.600 -0.403 0.000 2.202 343 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 343 M C 2.139 178.538 176.300 0.164 0.000 1.063 343 M CA 2.208 57.287 55.300 -0.370 0.000 1.097 343 M CB -0.374 32.124 32.600 -0.170 0.000 1.382 343 M HN 0.516 nan 8.290 nan 0.000 0.413 344 A N 0.084 123.032 122.820 0.212 0.000 1.968 344 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 344 A C 1.817 179.693 177.584 0.488 0.000 1.169 344 A CA 0.999 53.283 52.037 0.412 0.000 0.638 344 A CB -0.717 18.430 19.000 0.246 0.000 0.812 344 A HN 0.589 nan 8.150 nan 0.000 0.446 345 L N -0.382 121.038 121.223 0.329 0.000 2.599 345 L HA 0.022 4.362 4.340 -0.000 0.000 0.230 345 L C 2.103 179.188 176.870 0.358 0.000 1.141 345 L CA 0.034 55.151 54.840 0.460 0.000 0.877 345 L CB -0.263 41.949 42.059 0.256 0.000 1.009 345 L HN 0.257 nan 8.230 nan 0.000 0.447 346 V N 1.944 121.908 119.914 0.083 0.000 2.527 346 V HA -0.189 3.931 4.120 -0.000 0.000 0.255 346 V C -0.360 175.496 176.094 -0.397 0.000 1.081 346 V CA 1.965 64.142 62.300 -0.205 0.000 1.092 346 V CB -0.543 30.963 31.823 -0.528 0.000 0.673 346 V HN 0.333 nan 8.190 nan 0.000 0.470 347 P HA -0.082 nan 4.420 nan 0.000 0.223 347 P C 1.150 178.090 177.300 -0.600 0.000 1.151 347 P CA 1.445 64.176 63.100 -0.616 0.000 0.787 347 P CB -0.092 30.884 31.700 -1.207 0.000 0.788 348 W N -1.853 119.442 121.300 -0.008 0.000 3.013 348 W HA 0.290 4.950 4.660 -0.000 0.000 0.280 348 W C 1.389 177.901 176.519 -0.011 0.000 1.249 348 W CA 0.134 57.481 57.345 0.003 0.000 1.577 348 W CB -0.228 29.240 29.460 0.013 0.000 1.057 348 W HN -0.060 nan 8.180 nan 0.000 0.613 349 L N -0.226 121.084 121.223 0.145 0.000 2.375 349 L HA 0.056 4.396 4.340 -0.000 0.000 0.215 349 L C 0.650 177.510 176.870 -0.017 0.000 1.108 349 L CA 0.827 55.703 54.840 0.061 0.000 0.830 349 L CB -0.479 41.608 42.059 0.047 0.000 0.959 349 L HN -0.293 nan 8.230 nan 0.000 0.457 350 D N 0.929 121.311 120.400 -0.030 0.000 2.352 350 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 350 D C 1.118 177.411 176.300 -0.012 0.000 1.224 350 D CA 0.086 54.074 54.000 -0.020 0.000 0.879 350 D CB 1.491 42.336 40.800 0.074 0.000 1.057 350 D HN 0.108 nan 8.370 nan 0.000 0.491 351 T N 0.071 114.616 114.554 -0.015 0.000 3.067 351 T HA 0.014 4.364 4.350 -0.000 0.000 0.257 351 T C 1.205 175.893 174.700 -0.020 0.000 1.105 351 T CA -0.303 61.791 62.100 -0.010 0.000 1.104 351 T CB 0.058 68.924 68.868 -0.002 0.000 0.925 351 T HN 0.238 nan 8.240 nan 0.000 0.498 352 S N 3.472 119.158 115.700 -0.023 0.000 2.552 352 S HA 0.161 4.631 4.470 -0.000 0.000 0.289 352 S C -1.294 173.267 174.600 -0.065 0.000 1.304 352 S CA -1.067 57.111 58.200 -0.036 0.000 1.063 352 S CB 0.794 63.970 63.200 -0.039 0.000 0.848 352 S HN 0.259 nan 8.310 nan 0.000 0.499 353 P HA 0.172 nan 4.420 nan 0.000 0.262 353 P C -0.452 176.799 177.300 -0.082 0.000 1.304 353 P CA -0.023 63.036 63.100 -0.068 0.000 0.859 353 P CB 0.112 31.785 31.700 -0.045 0.000 1.310 354 V N 1.907 121.765 119.914 -0.093 0.000 2.408 354 V HA 0.209 4.329 4.120 -0.000 0.000 0.267 354 V C 2.060 178.053 176.094 -0.167 0.000 1.047 354 V CA -0.208 62.034 62.300 -0.096 0.000 0.937 354 V CB 1.142 32.919 31.823 -0.077 0.000 0.999 354 V HN 0.022 nan 8.190 nan 0.000 0.472 355 R N 2.570 122.982 120.500 -0.146 0.000 2.078 355 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 355 R C 1.407 177.535 176.300 -0.286 0.000 1.149 355 R CA 1.320 57.292 56.100 -0.213 0.000 0.916 355 R CB -0.166 30.049 30.300 -0.141 0.000 0.821 355 R HN 0.668 nan 8.270 nan 0.000 0.434 356 S N -0.554 115.036 115.700 -0.184 0.000 2.549 356 S HA 0.042 4.512 4.470 -0.000 0.000 0.286 356 S C 0.995 175.246 174.600 -0.581 0.000 1.314 356 S CA 0.005 58.030 58.200 -0.293 0.000 1.062 356 S CB 1.410 64.500 63.200 -0.182 0.000 0.865 356 S HN 0.477 nan 8.310 nan 0.000 0.498 357 G N 3.841 112.062 108.800 -0.965 0.000 2.920 357 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.208 357 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.208 357 G C 1.275 175.587 174.900 -0.980 0.000 1.159 357 G CA -0.057 44.261 45.100 -1.304 0.000 0.784 357 G HN 0.792 nan 8.290 nan 0.000 0.535 358 R N -0.420 119.556 120.500 -0.873 0.000 2.189 358 R HA -0.039 4.301 4.340 -0.000 0.000 0.223 358 R C 0.324 176.288 176.300 -0.560 0.000 1.092 358 R CA 0.733 56.454 56.100 -0.632 0.000 0.989 358 R CB -0.081 29.775 30.300 -0.740 0.000 0.876 358 R HN 0.412 nan 8.270 nan 0.000 0.457 359 Y N -0.052 120.162 120.300 -0.143 0.000 2.774 359 Y HA 0.387 4.937 4.550 -0.000 0.000 0.305 359 Y C -0.539 175.303 175.900 -0.096 0.000 1.067 359 Y CA -0.581 57.467 58.100 -0.087 0.000 1.304 359 Y CB 0.425 38.839 38.460 -0.077 0.000 1.209 359 Y HN -0.190 nan 8.280 nan 0.000 0.543 360 R N 0.127 120.612 120.500 -0.025 0.000 2.607 360 R HA 0.256 4.596 4.340 -0.000 0.000 0.278 360 R C -2.462 173.909 176.300 0.119 0.000 1.637 360 R CA -1.476 54.638 56.100 0.023 0.000 1.325 360 R CB 1.146 31.393 30.300 -0.088 0.000 1.211 360 R HN 0.016 nan 8.270 nan 0.000 0.565 361 P HA -0.194 nan 4.420 nan 0.000 0.216 361 P C 1.000 178.372 177.300 0.121 0.000 1.154 361 P CA 1.630 64.799 63.100 0.116 0.000 0.865 361 P CB 0.272 32.025 31.700 0.088 0.000 0.789 362 M N -3.183 116.497 119.600 0.134 0.000 2.160 362 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 362 M C 2.000 178.394 176.300 0.156 0.000 1.073 362 M CA 1.332 56.699 55.300 0.110 0.000 1.142 362 M CB -0.749 31.953 32.600 0.170 0.000 1.358 362 M HN -0.149 nan 8.290 nan 0.000 0.422 363 F N 1.944 121.963 119.950 0.115 0.000 2.027 363 F HA -0.345 4.182 4.527 -0.000 0.000 0.297 363 F C 2.175 178.080 175.800 0.175 0.000 1.129 363 F CA 1.973 60.067 58.000 0.158 0.000 1.195 363 F CB -0.413 38.598 39.000 0.018 0.000 0.960 363 F HN -0.036 nan 8.300 nan 0.000 0.485 364 K N 0.011 120.682 120.400 0.452 0.000 2.117 364 K HA -0.279 4.041 4.320 -0.000 0.000 0.215 364 K C 1.964 178.789 176.600 0.375 0.000 1.053 364 K CA 2.129 58.683 56.287 0.445 0.000 0.935 364 K CB -0.814 31.931 32.500 0.408 0.000 0.719 364 K HN 0.323 nan 8.250 nan 0.000 0.460 365 I N 0.430 121.079 120.570 0.131 0.000 2.127 365 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 365 I C 2.391 178.478 176.117 -0.049 0.000 1.075 365 I CA 1.666 62.950 61.300 -0.028 0.000 1.334 365 I CB -1.351 36.456 38.000 -0.321 0.000 1.040 365 I HN 0.118 nan 8.210 nan 0.000 0.405 366 Y N -0.251 120.117 120.300 0.113 0.000 2.293 366 Y HA -0.230 4.320 4.550 -0.000 0.000 0.291 366 Y C 2.454 178.333 175.900 -0.036 0.000 1.137 366 Y CA 0.897 59.081 58.100 0.141 0.000 1.202 366 Y CB -1.172 37.394 38.460 0.176 0.000 0.990 366 Y HN 0.092 nan 8.280 nan 0.000 0.537 367 F N -0.761 119.062 119.950 -0.212 0.000 2.046 367 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 367 F C 1.764 177.335 175.800 -0.381 0.000 1.123 367 F CA 1.580 59.297 58.000 -0.472 0.000 1.199 367 F CB -0.805 37.921 39.000 -0.457 0.000 0.972 367 F HN 0.010 nan 8.300 nan 0.000 0.474 368 W N 0.701 122.032 121.300 0.051 0.000 2.364 368 W HA -0.159 4.501 4.660 -0.000 0.000 0.281 368 W C 2.279 178.655 176.519 -0.238 0.000 1.219 368 W CA 1.020 58.294 57.345 -0.118 0.000 1.220 368 W CB -0.576 28.912 29.460 0.047 0.000 1.127 368 W HN 0.105 nan 8.180 nan 0.000 0.556 369 L N -0.760 120.450 121.223 -0.022 0.000 2.093 369 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 369 L C 2.403 179.158 176.870 -0.191 0.000 1.085 369 L CA 0.675 55.416 54.840 -0.165 0.000 0.755 369 L CB -0.946 40.942 42.059 -0.285 0.000 0.904 369 L HN 0.029 nan 8.230 nan 0.000 0.435 370 L N 0.163 121.272 121.223 -0.190 0.000 1.989 370 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 370 L C 2.652 179.423 176.870 -0.164 0.000 1.071 370 L CA 2.169 56.889 54.840 -0.200 0.000 0.749 370 L CB -0.770 40.778 42.059 -0.852 0.000 0.890 370 L HN 0.174 nan 8.230 nan 0.000 0.431 371 A N -0.453 122.054 122.820 -0.523 0.000 1.851 371 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 371 A C 2.479 179.958 177.584 -0.175 0.000 1.195 371 A CA 2.416 54.084 52.037 -0.616 0.000 0.622 371 A CB -1.475 17.071 19.000 -0.757 0.000 0.831 371 A HN 0.617 nan 8.150 nan 0.000 0.444 372 A N -0.306 122.456 122.820 -0.098 0.000 1.927 372 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 372 A C 1.855 179.439 177.584 0.000 0.000 1.185 372 A CA 2.558 54.571 52.037 -0.039 0.000 0.639 372 A CB -0.880 18.087 19.000 -0.056 0.000 0.820 372 A HN 0.575 nan 8.150 nan 0.000 0.451 373 D N -1.494 118.925 120.400 0.032 0.000 2.078 373 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 373 D C 1.663 178.068 176.300 0.174 0.000 0.990 373 D CA 1.541 55.617 54.000 0.127 0.000 0.827 373 D CB -0.365 40.599 40.800 0.273 0.000 0.975 373 D HN 0.359 nan 8.370 nan 0.000 0.451 374 F N 0.535 120.554 119.950 0.114 0.000 2.087 374 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 374 F C 2.182 177.972 175.800 -0.017 0.000 1.100 374 F CA 1.407 59.444 58.000 0.062 0.000 1.226 374 F CB -0.451 38.680 39.000 0.218 0.000 0.983 374 F HN -0.085 nan 8.300 nan 0.000 0.479 375 V N 0.854 120.832 119.914 0.107 0.000 2.261 375 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 375 V C 2.431 178.535 176.094 0.016 0.000 1.047 375 V CA 2.233 64.551 62.300 0.030 0.000 1.015 375 V CB -0.723 31.126 31.823 0.043 0.000 0.642 375 V HN 0.376 nan 8.190 nan 0.000 0.446 376 I N -0.487 120.107 120.570 0.040 0.000 2.118 376 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 376 I C 2.483 178.680 176.117 0.132 0.000 1.070 376 I CA 1.754 63.126 61.300 0.120 0.000 1.327 376 I CB -0.497 37.551 38.000 0.081 0.000 1.034 376 I HN 0.252 nan 8.210 nan 0.000 0.405 377 L N 0.223 121.432 121.223 -0.023 0.000 1.997 377 L HA -0.298 4.042 4.340 -0.000 0.000 0.216 377 L C 2.723 179.476 176.870 -0.194 0.000 1.074 377 L CA 2.078 56.830 54.840 -0.148 0.000 0.763 377 L CB -0.699 41.172 42.059 -0.312 0.000 0.890 377 L HN 0.336 nan 8.230 nan 0.000 0.434 378 T N -1.662 112.737 114.554 -0.259 0.000 2.622 378 T HA -0.295 4.055 4.350 -0.000 0.000 0.266 378 T C 1.215 175.880 174.700 -0.059 0.000 1.047 378 T CA 1.705 63.687 62.100 -0.197 0.000 1.159 378 T CB -0.625 68.132 68.868 -0.184 0.000 0.863 378 T HN 0.548 nan 8.240 nan 0.000 0.422 379 W N 2.740 123.961 121.300 -0.131 0.000 2.290 379 W HA -0.278 4.382 4.660 -0.000 0.000 0.318 379 W C 2.224 178.671 176.519 -0.119 0.000 1.248 379 W CA 2.085 59.368 57.345 -0.103 0.000 1.263 379 W CB -0.811 28.599 29.460 -0.083 0.000 1.147 379 W HN 0.173 nan 8.180 nan 0.000 0.494 380 V N -0.466 119.239 119.914 -0.348 0.000 2.548 380 V HA 0.023 4.143 4.120 -0.000 0.000 0.249 380 V C 2.204 178.034 176.094 -0.440 0.000 1.055 380 V CA 1.934 63.879 62.300 -0.592 0.000 1.065 380 V CB -1.987 29.705 31.823 -0.219 0.000 0.681 380 V HN 0.318 nan 8.190 nan 0.000 0.462 381 G N 0.195 108.855 108.800 -0.235 0.000 2.479 381 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 381 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 381 G C 1.485 176.360 174.900 -0.041 0.000 1.115 381 G CA 0.949 46.039 45.100 -0.017 0.000 0.757 381 G HN 0.859 nan 8.290 nan 0.000 0.560 382 A N -1.006 121.653 122.820 -0.267 0.000 2.218 382 A HA 0.302 4.622 4.320 -0.000 0.000 0.209 382 A C 1.430 178.770 177.584 -0.407 0.000 1.168 382 A CA 0.349 52.208 52.037 -0.296 0.000 0.804 382 A CB 0.072 18.877 19.000 -0.326 0.000 0.834 382 A HN 0.335 nan 8.150 nan 0.000 0.482 383 Q N -0.066 119.385 119.800 -0.581 0.000 2.194 383 Q HA 0.392 4.732 4.340 -0.000 0.000 0.245 383 Q C -0.397 175.338 176.000 -0.441 0.000 0.993 383 Q CA -0.384 54.975 55.803 -0.740 0.000 0.930 383 Q CB 0.324 28.183 28.738 -1.465 0.000 1.238 383 Q HN 0.567 nan 8.270 nan 0.000 0.486 384 Q N -0.094 119.485 119.800 -0.368 0.000 2.407 384 Q HA 0.184 4.524 4.340 -0.000 0.000 0.214 384 Q C 0.816 176.797 176.000 -0.031 0.000 1.043 384 Q CA 0.062 55.801 55.803 -0.106 0.000 0.983 384 Q CB 0.384 29.126 28.738 0.007 0.000 1.211 384 Q HN 0.648 nan 8.270 nan 0.000 0.564 385 T N -2.620 111.936 114.554 0.003 0.000 3.148 385 T HA -0.032 4.318 4.350 -0.000 0.000 0.253 385 T C 0.937 175.678 174.700 0.068 0.000 1.134 385 T CA 0.353 62.453 62.100 -0.000 0.000 1.051 385 T CB -0.555 68.294 68.868 -0.032 0.000 0.959 385 T HN 0.733 nan 8.240 nan 0.000 0.525 386 T N 0.137 114.778 114.554 0.144 0.000 2.754 386 T HA 0.466 4.816 4.350 -0.000 0.000 0.286 386 T C -0.064 174.747 174.700 0.185 0.000 0.997 386 T CA -1.014 61.190 62.100 0.173 0.000 0.982 386 T CB 0.330 69.305 68.868 0.179 0.000 1.027 386 T HN 0.188 nan 8.240 nan 0.000 0.529 387 F N 2.830 122.796 119.950 0.025 0.000 2.459 387 F HA 0.393 4.920 4.527 -0.000 0.000 0.346 387 F C -1.287 174.362 175.800 -0.253 0.000 1.128 387 F CA -2.150 55.840 58.000 -0.016 0.000 1.268 387 F CB 1.006 40.030 39.000 0.040 0.000 1.161 387 F HN 0.417 nan 8.300 nan 0.000 0.583 388 P HA -0.057 nan 4.420 nan 0.000 0.255 388 P C 0.804 177.755 177.300 -0.583 0.000 1.248 388 P CA 0.789 62.953 63.100 -1.560 0.000 0.807 388 P CB -0.076 30.788 31.700 -1.394 0.000 1.150 389 Y N 2.989 123.174 120.300 -0.191 0.000 2.081 389 Y HA -0.260 4.290 4.550 -0.000 0.000 0.280 389 Y C 2.432 178.266 175.900 -0.109 0.000 1.163 389 Y CA 1.717 59.744 58.100 -0.120 0.000 1.135 389 Y CB -1.903 36.464 38.460 -0.155 0.000 0.970 389 Y HN 0.097 nan 8.280 nan 0.000 0.498 390 D N -1.285 119.134 120.400 0.032 0.000 2.170 390 D HA -0.287 4.353 4.640 -0.000 0.000 0.193 390 D C 1.857 178.021 176.300 -0.225 0.000 1.004 390 D CA 1.807 55.737 54.000 -0.117 0.000 0.860 390 D CB -1.218 39.513 40.800 -0.115 0.000 0.931 390 D HN 0.470 nan 8.370 nan 0.000 0.448 391 W N 0.926 122.169 121.300 -0.095 0.000 2.408 391 W HA 0.140 4.800 4.660 -0.000 0.000 0.311 391 W C 2.776 179.248 176.519 -0.079 0.000 1.190 391 W CA 0.562 57.853 57.345 -0.091 0.000 1.321 391 W CB -0.457 28.948 29.460 -0.093 0.000 1.143 391 W HN -0.119 nan 8.180 nan 0.000 0.501 392 I N 0.516 121.181 120.570 0.159 0.000 2.113 392 I HA -0.460 3.710 4.170 -0.000 0.000 0.242 392 I C 2.664 178.823 176.117 0.070 0.000 1.064 392 I CA 2.058 63.436 61.300 0.129 0.000 1.320 392 I CB -1.313 36.797 38.000 0.183 0.000 1.028 392 I HN 0.005 nan 8.210 nan 0.000 0.406 393 S N 1.370 117.070 115.700 0.000 0.000 2.365 393 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 393 S C 2.067 176.592 174.600 -0.125 0.000 1.039 393 S CA 1.317 59.463 58.200 -0.089 0.000 1.033 393 S CB -1.081 62.008 63.200 -0.184 0.000 0.887 393 S HN 0.430 nan 8.310 nan 0.000 0.447 394 L N 0.928 122.044 121.223 -0.179 0.000 2.012 394 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 394 L C 2.672 179.540 176.870 -0.005 0.000 1.073 394 L CA 1.797 56.514 54.840 -0.204 0.000 0.748 394 L CB -0.524 41.331 42.059 -0.339 0.000 0.891 394 L HN 0.383 nan 8.230 nan 0.000 0.431 395 I N -0.664 119.953 120.570 0.078 0.000 2.226 395 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 395 I C 2.780 179.019 176.117 0.204 0.000 1.100 395 I CA 1.070 62.468 61.300 0.162 0.000 1.374 395 I CB -0.675 37.427 38.000 0.170 0.000 1.057 395 I HN 0.227 nan 8.210 nan 0.000 0.413 396 A N 0.974 123.888 122.820 0.157 0.000 1.851 396 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 396 A C 2.546 180.301 177.584 0.284 0.000 1.195 396 A CA 2.483 54.637 52.037 0.195 0.000 0.622 396 A CB -0.947 18.115 19.000 0.103 0.000 0.831 396 A HN 0.418 nan 8.150 nan 0.000 0.444 397 S N 0.272 116.094 115.700 0.204 0.000 2.370 397 S HA -0.104 4.366 4.470 -0.000 0.000 0.226 397 S C 2.296 177.244 174.600 0.580 0.000 1.033 397 S CA 1.367 59.774 58.200 0.346 0.000 1.011 397 S CB -0.700 62.641 63.200 0.235 0.000 0.852 397 S HN 0.855 nan 8.310 nan 0.000 0.457 398 A N 1.151 124.225 122.820 0.424 0.000 1.859 398 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 398 A C 1.986 179.830 177.584 0.433 0.000 1.198 398 A CA 2.014 54.296 52.037 0.409 0.000 0.629 398 A CB -1.290 17.879 19.000 0.282 0.000 0.830 398 A HN 0.556 nan 8.150 nan 0.000 0.446 399 Y N -0.909 119.571 120.300 0.300 0.000 2.207 399 Y HA -0.271 4.279 4.550 -0.000 0.000 0.287 399 Y C 2.294 178.380 175.900 0.310 0.000 1.156 399 Y CA 1.725 59.979 58.100 0.256 0.000 1.182 399 Y CB -0.392 38.188 38.460 0.200 0.000 0.979 399 Y HN 0.566 nan 8.280 nan 0.000 0.521 400 W N 0.324 121.748 121.300 0.207 0.000 2.311 400 W HA -0.355 4.305 4.660 -0.000 0.000 0.326 400 W C 1.831 178.398 176.519 0.080 0.000 1.239 400 W CA 2.517 59.923 57.345 0.103 0.000 1.258 400 W CB -1.132 28.325 29.460 -0.005 0.000 1.165 400 W HN 0.176 nan 8.180 nan 0.000 0.466 401 F N 1.049 121.206 119.950 0.344 0.000 2.216 401 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 401 F C 2.747 178.572 175.800 0.043 0.000 1.085 401 F CA 1.845 59.973 58.000 0.213 0.000 1.326 401 F CB -1.498 37.632 39.000 0.215 0.000 1.027 401 F HN -0.077 nan 8.300 nan 0.000 0.497 402 A N -0.191 122.711 122.820 0.136 0.000 1.873 402 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 402 A C 2.098 179.520 177.584 -0.269 0.000 1.193 402 A CA 2.029 54.018 52.037 -0.080 0.000 0.629 402 A CB -1.580 17.321 19.000 -0.164 0.000 0.826 402 A HN 0.486 nan 8.150 nan 0.000 0.447 403 Y N -0.653 119.274 120.300 -0.622 0.000 2.097 403 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 403 Y C 1.981 177.485 175.900 -0.660 0.000 1.152 403 Y CA 2.218 59.855 58.100 -0.771 0.000 1.136 403 Y CB -0.489 37.363 38.460 -1.013 0.000 0.975 403 Y HN 0.284 nan 8.280 nan 0.000 0.498 404 F N -0.821 118.876 119.950 -0.422 0.000 2.219 404 F HA -0.056 4.471 4.527 -0.000 0.000 0.294 404 F C 2.088 177.741 175.800 -0.245 0.000 1.086 404 F CA 1.013 58.780 58.000 -0.388 0.000 1.330 404 F CB -0.499 38.332 39.000 -0.281 0.000 1.047 404 F HN -0.060 nan 8.300 nan 0.000 0.495 405 L N -1.141 120.112 121.223 0.049 0.000 2.418 405 L HA -0.021 4.319 4.340 -0.000 0.000 0.218 405 L C 1.396 178.245 176.870 -0.035 0.000 1.125 405 L CA 0.224 55.090 54.840 0.043 0.000 0.835 405 L CB -0.141 41.993 42.059 0.125 0.000 0.953 405 L HN 0.031 nan 8.230 nan 0.000 0.454 406 V N -1.344 118.500 119.914 -0.116 0.000 3.668 406 V HA 0.035 4.155 4.120 -0.000 0.000 0.199 406 V C 1.983 177.943 176.094 -0.223 0.000 1.241 406 V CA -0.012 62.208 62.300 -0.133 0.000 1.308 406 V CB 0.102 31.863 31.823 -0.103 0.000 1.411 406 V HN 0.026 nan 8.190 nan 0.000 0.535 407 I N 0.832 121.196 120.570 -0.343 0.000 2.074 407 I HA -0.371 3.799 4.170 -0.000 0.000 0.238 407 I C 2.507 178.388 176.117 -0.393 0.000 1.037 407 I CA 2.139 63.163 61.300 -0.460 0.000 1.301 407 I CB -0.596 36.987 38.000 -0.695 0.000 1.016 407 I HN 0.277 nan 8.210 nan 0.000 0.400 408 L N 0.159 121.071 121.223 -0.518 0.000 1.990 408 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 408 L C -0.036 176.723 176.870 -0.185 0.000 1.072 408 L CA 1.983 56.596 54.840 -0.379 0.000 0.755 408 L CB -2.173 39.586 42.059 -0.501 0.000 0.889 408 L HN 0.195 nan 8.230 nan 0.000 0.432 409 P HA -0.189 nan 4.420 nan 0.000 0.215 409 P C 1.661 178.924 177.300 -0.061 0.000 1.157 409 P CA 1.401 64.452 63.100 -0.081 0.000 0.874 409 P CB 0.069 31.730 31.700 -0.065 0.000 0.790 410 I N -1.076 119.446 120.570 -0.081 0.000 2.090 410 I HA -0.200 3.970 4.170 -0.000 0.000 0.236 410 I C 2.381 178.483 176.117 -0.024 0.000 1.064 410 I CA 1.328 62.597 61.300 -0.051 0.000 1.324 410 I CB -1.562 36.398 38.000 -0.067 0.000 1.044 410 I HN -0.131 nan 8.210 nan 0.000 0.399 411 L N 0.287 121.494 121.223 -0.027 0.000 2.230 411 L HA -0.290 4.050 4.340 -0.000 0.000 0.217 411 L C 2.435 179.328 176.870 0.038 0.000 1.090 411 L CA 1.667 56.528 54.840 0.036 0.000 0.771 411 L CB -1.582 40.524 42.059 0.078 0.000 0.892 411 L HN 0.482 nan 8.230 nan 0.000 0.438 412 G N -0.682 108.124 108.800 0.010 0.000 2.440 412 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 412 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 412 G C 1.675 176.580 174.900 0.009 0.000 1.154 412 G CA 0.909 46.014 45.100 0.007 0.000 0.767 412 G HN 0.527 nan 8.290 nan 0.000 0.552 413 A N -0.056 122.769 122.820 0.009 0.000 1.956 413 A HA 0.385 4.705 4.320 -0.000 0.000 0.212 413 A C 2.318 179.914 177.584 0.019 0.000 1.188 413 A CA 0.444 52.488 52.037 0.012 0.000 0.675 413 A CB -0.025 18.980 19.000 0.009 0.000 0.845 413 A HN 0.307 nan 8.150 nan 0.000 0.455 414 I N -0.035 120.551 120.570 0.026 0.000 2.333 414 I HA -0.076 4.094 4.170 -0.000 0.000 0.246 414 I C 1.278 177.423 176.117 0.048 0.000 1.106 414 I CA 0.377 61.699 61.300 0.037 0.000 1.411 414 I CB -0.185 37.841 38.000 0.044 0.000 1.082 414 I HN 0.406 nan 8.210 nan 0.000 0.420 415 E N 2.513 122.749 120.200 0.059 0.000 2.437 415 E HA -0.079 4.271 4.350 -0.000 0.000 0.263 415 E C 0.027 176.656 176.600 0.048 0.000 1.030 415 E CA 0.149 56.590 56.400 0.068 0.000 0.934 415 E CB 0.554 30.308 29.700 0.090 0.000 0.943 415 E HN -0.067 nan 8.360 nan 0.000 0.444 416 K N 5.654 126.083 120.400 0.048 0.000 2.419 416 K HA 0.284 4.603 4.320 -0.000 0.000 0.244 416 K C -2.370 174.252 176.600 0.037 0.000 1.045 416 K CA -2.007 54.300 56.287 0.034 0.000 1.004 416 K CB 1.165 33.683 32.500 0.031 0.000 1.376 416 K HN 0.497 nan 8.250 nan 0.000 0.460 417 P HA 0.037 nan 4.420 nan 0.000 0.268 417 P C 0.285 177.600 177.300 0.026 0.000 1.205 417 P CA -0.341 62.779 63.100 0.033 0.000 0.771 417 P CB 0.966 32.675 31.700 0.016 0.000 0.858 418 V N 2.074 122.018 119.914 0.050 0.000 3.385 418 V HA 0.294 4.414 4.120 -0.000 0.000 0.301 418 V C 0.969 177.013 176.094 -0.083 0.000 1.082 418 V CA -0.233 62.077 62.300 0.017 0.000 1.085 418 V CB 0.675 32.550 31.823 0.087 0.000 1.152 418 V HN 0.786 nan 8.190 nan 0.000 0.465 419 A N 3.567 126.297 122.820 -0.149 0.000 2.310 419 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 419 A C -2.011 175.280 177.584 -0.488 0.000 1.269 419 A CA -1.166 50.733 52.037 -0.230 0.000 0.909 419 A CB -0.326 18.587 19.000 -0.146 0.000 1.144 419 A HN 0.628 nan 8.150 nan 0.000 0.540 420 P HA 0.366 nan 4.420 nan 0.000 0.285 420 P C -2.647 174.429 177.300 -0.373 0.000 1.259 420 P CA -1.247 61.371 63.100 -0.803 0.000 0.794 420 P CB 0.274 31.715 31.700 -0.432 0.000 0.940 421 P HA -0.065 nan 4.420 nan 0.000 0.269 421 P C 0.892 178.142 177.300 -0.083 0.000 1.200 421 P CA 0.225 63.254 63.100 -0.118 0.000 0.779 421 P CB 0.236 31.914 31.700 -0.037 0.000 0.841 422 A N 0.798 123.585 122.820 -0.056 0.000 2.016 422 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 422 A C 0.891 178.459 177.584 -0.027 0.000 1.162 422 A CA 1.869 53.880 52.037 -0.042 0.000 0.662 422 A CB -0.668 18.311 19.000 -0.034 0.000 0.812 422 A HN 0.670 nan 8.150 nan 0.000 0.450 423 T N -4.995 109.549 114.554 -0.016 0.000 2.868 423 T HA 0.564 4.914 4.350 -0.000 0.000 0.306 423 T C 0.658 175.361 174.700 0.005 0.000 1.224 423 T CA -0.378 61.717 62.100 -0.008 0.000 1.012 423 T CB 0.681 69.546 68.868 -0.006 0.000 1.221 423 T HN -0.001 nan 8.240 nan 0.000 0.499 424 I N 0.615 121.183 120.570 -0.004 0.000 2.286 424 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 424 I C 2.828 178.965 176.117 0.032 0.000 1.115 424 I CA 1.239 62.537 61.300 -0.003 0.000 1.392 424 I CB -0.283 37.685 38.000 -0.053 0.000 1.065 424 I HN 0.847 nan 8.210 nan 0.000 0.418 425 E N 1.259 121.474 120.200 0.026 0.000 2.033 425 E HA -0.335 4.015 4.350 -0.000 0.000 0.199 425 E C 2.094 178.756 176.600 0.104 0.000 1.011 425 E CA 2.021 58.466 56.400 0.076 0.000 0.815 425 E CB -0.119 29.606 29.700 0.042 0.000 0.755 425 E HN 0.466 nan 8.360 nan 0.000 0.451 426 E N 0.326 120.557 120.200 0.052 0.000 2.068 426 E HA -0.298 4.052 4.350 -0.000 0.000 0.207 426 E C 1.916 178.546 176.600 0.050 0.000 1.032 426 E CA 2.066 58.488 56.400 0.036 0.000 0.839 426 E CB -0.218 29.490 29.700 0.013 0.000 0.758 426 E HN 0.202 nan 8.360 nan 0.000 0.457 427 D N -0.683 119.759 120.400 0.069 0.000 2.097 427 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 427 D C 1.845 178.215 176.300 0.117 0.000 0.989 427 D CA 1.127 55.178 54.000 0.085 0.000 0.827 427 D CB -0.427 40.431 40.800 0.097 0.000 0.966 427 D HN 0.229 nan 8.370 nan 0.000 0.456 428 F N 1.823 121.750 119.950 -0.039 0.000 2.043 428 F HA -0.249 4.278 4.527 -0.000 0.000 0.297 428 F C 2.064 177.834 175.800 -0.051 0.000 1.118 428 F CA 1.853 59.818 58.000 -0.058 0.000 1.202 428 F CB -0.945 38.010 39.000 -0.074 0.000 0.965 428 F HN 0.011 nan 8.300 nan 0.000 0.482 429 N N 0.937 119.590 118.700 -0.078 0.000 2.132 429 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 429 N C 1.144 176.548 175.510 -0.177 0.000 1.015 429 N CA 1.059 53.984 53.050 -0.209 0.000 0.864 429 N CB -0.968 37.477 38.487 -0.070 0.000 1.006 429 N HN 0.377 nan 8.380 nan 0.000 0.430 430 A N 0.000 122.768 122.820 -0.086 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 430 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486