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_G 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 0.000 174.935 174.900 0.058 0.000 0.946 3 G CA 0.000 45.138 45.100 0.063 0.000 0.502 4 I N 1.876 122.501 120.570 0.091 0.000 2.441 4 I HA 0.496 4.666 4.170 0.000 0.000 0.295 4 I C -2.572 173.599 176.117 0.089 0.000 0.994 4 I CA -2.821 58.529 61.300 0.083 0.000 1.144 4 I CB 1.597 39.651 38.000 0.090 0.000 1.314 4 I HN -0.223 nan 8.210 nan 0.000 0.445 5 P HA 0.236 nan 4.420 nan 0.000 0.269 5 P C -1.199 176.113 177.300 0.020 0.000 1.252 5 P CA 0.210 63.289 63.100 -0.036 0.000 0.780 5 P CB 0.002 31.687 31.700 -0.025 0.000 0.829 6 H N -0.486 118.611 119.070 0.044 0.000 2.941 6 H HA 0.688 5.244 4.556 0.000 0.000 0.344 6 H C -1.289 174.094 175.328 0.092 0.000 1.235 6 H CA -1.367 54.728 56.048 0.080 0.000 1.149 6 H CB 0.599 30.422 29.762 0.102 0.000 1.885 6 H HN 0.126 nan 8.280 nan 0.000 0.558 7 D N -0.585 120.058 120.400 0.405 0.000 2.303 7 D HA 0.204 4.845 4.640 0.000 0.000 0.236 7 D C 0.056 176.781 176.300 0.708 0.000 1.068 7 D CA -0.699 53.533 54.000 0.388 0.000 0.830 7 D CB 0.435 41.415 40.800 0.301 0.000 1.109 7 D HN 0.832 nan 8.370 nan 0.000 0.496 8 H N -0.271 119.085 119.070 0.476 0.000 2.548 8 H HA 0.284 4.840 4.556 0.000 0.000 0.366 8 H C -0.461 174.976 175.328 0.181 0.000 1.433 8 H CA -1.252 55.087 56.048 0.485 0.000 1.443 8 H CB 0.473 30.468 29.762 0.388 0.000 1.594 8 H HN 0.482 nan 8.280 nan 0.000 0.608 9 Y N 0.391 120.576 120.300 -0.193 0.000 2.379 9 Y HA 0.174 4.724 4.550 0.000 0.000 0.337 9 Y C -0.523 175.092 175.900 -0.475 0.000 1.238 9 Y CA -0.204 57.473 58.100 -0.704 0.000 1.405 9 Y CB 0.945 39.065 38.460 -0.567 0.000 1.310 9 Y HN 0.780 nan 8.280 nan 0.000 0.569 10 E N 5.812 125.294 120.200 -1.196 0.000 2.287 10 E HA 0.396 4.746 4.350 0.000 0.000 0.274 10 E C -2.944 173.024 176.600 -1.053 0.000 0.896 10 E CA -2.462 53.375 56.400 -0.938 0.000 0.788 10 E CB 1.464 30.861 29.700 -0.506 0.000 1.244 10 E HN 0.335 nan 8.360 nan 0.000 0.408 11 P HA 0.112 nan 4.420 nan 0.000 0.262 11 P C -0.006 177.135 177.300 -0.264 0.000 1.199 11 P CA -0.125 62.709 63.100 -0.444 0.000 0.763 11 P CB 0.789 32.335 31.700 -0.256 0.000 0.790 12 R N 1.242 121.639 120.500 -0.172 0.000 2.064 12 R HA 0.158 4.498 4.340 0.000 0.000 0.210 12 R C 0.645 176.920 176.300 -0.042 0.000 1.221 12 R CA 0.819 56.858 56.100 -0.101 0.000 1.055 12 R CB -1.105 29.145 30.300 -0.082 0.000 0.946 12 R HN 0.335 nan 8.270 nan 0.000 0.459 13 T N 0.397 114.946 114.554 -0.009 0.000 2.795 13 T HA 0.142 4.493 4.350 0.000 0.000 0.314 13 T C 1.515 176.234 174.700 0.032 0.000 1.069 13 T CA 0.438 62.546 62.100 0.014 0.000 1.071 13 T CB 0.992 69.878 68.868 0.030 0.000 0.988 13 T HN 0.409 nan 8.240 nan 0.000 0.543 14 G N 0.525 109.344 108.800 0.032 0.000 2.421 14 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 14 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 14 G C 1.502 176.469 174.900 0.113 0.000 1.171 14 G CA 0.462 45.594 45.100 0.053 0.000 0.775 14 G HN 0.748 nan 8.290 nan 0.000 0.543 15 I N 0.633 121.254 120.570 0.086 0.000 2.185 15 I HA -0.244 3.926 4.170 0.000 0.000 0.246 15 I C 2.762 179.021 176.117 0.238 0.000 1.088 15 I CA 1.514 62.898 61.300 0.140 0.000 1.347 15 I CB -0.320 37.725 38.000 0.075 0.000 1.041 15 I HN 0.283 nan 8.210 nan 0.000 0.415 16 E N 1.022 121.323 120.200 0.169 0.000 2.017 16 E HA -0.239 4.111 4.350 0.000 0.000 0.193 16 E C 2.225 178.947 176.600 0.204 0.000 0.997 16 E CA 1.338 57.852 56.400 0.190 0.000 0.804 16 E CB -0.063 29.723 29.700 0.143 0.000 0.757 16 E HN 0.444 nan 8.360 nan 0.000 0.448 17 K N -0.026 120.457 120.400 0.139 0.000 2.074 17 K HA -0.222 4.098 4.320 0.000 0.000 0.209 17 K C 1.886 178.592 176.600 0.176 0.000 1.048 17 K CA 1.577 57.928 56.287 0.108 0.000 0.926 17 K CB -0.327 32.209 32.500 0.060 0.000 0.713 17 K HN 0.248 nan 8.250 nan 0.000 0.444 18 W N 1.645 122.971 121.300 0.043 0.000 2.355 18 W HA -0.205 4.455 4.660 0.000 0.000 0.309 18 W C 1.882 178.433 176.519 0.053 0.000 1.206 18 W CA 1.045 58.413 57.345 0.039 0.000 1.284 18 W CB -0.452 29.022 29.460 0.023 0.000 1.145 18 W HN -0.011 nan 8.180 nan 0.000 0.502 19 L N 0.305 121.652 121.223 0.207 0.000 1.994 19 L HA -0.239 4.101 4.340 0.000 0.000 0.208 19 L C 2.784 179.627 176.870 -0.045 0.000 1.071 19 L CA 2.570 57.426 54.840 0.026 0.000 0.745 19 L CB -1.700 40.466 42.059 0.179 0.000 0.892 19 L HN 0.194 nan 8.230 nan 0.000 0.431 20 H N -0.553 118.515 119.070 -0.004 0.000 2.387 20 H HA -0.117 4.439 4.556 0.000 0.000 0.299 20 H C 2.127 177.417 175.328 -0.063 0.000 1.099 20 H CA 1.699 57.749 56.048 0.003 0.000 1.315 20 H CB 0.029 29.846 29.762 0.091 0.000 1.380 20 H HN 0.570 nan 8.280 nan 0.000 0.513 21 S N -0.106 115.657 115.700 0.105 0.000 2.474 21 S HA -0.023 4.448 4.470 0.000 0.000 0.235 21 S C 2.029 176.551 174.600 -0.128 0.000 0.997 21 S CA 0.640 58.852 58.200 0.020 0.000 0.949 21 S CB 0.108 63.288 63.200 -0.034 0.000 0.766 21 S HN 0.427 nan 8.310 nan 0.000 0.517 22 R N -0.525 119.834 120.500 -0.236 0.000 2.140 22 R HA 0.472 4.812 4.340 0.000 0.000 0.200 22 R C -0.496 175.671 176.300 -0.222 0.000 1.069 22 R CA 0.169 56.104 56.100 -0.276 0.000 1.088 22 R CB 0.108 30.132 30.300 -0.459 0.000 1.012 22 R HN 0.332 nan 8.270 nan 0.000 0.500 23 L N 2.520 123.607 121.223 -0.227 0.000 2.573 23 L HA 0.341 4.681 4.340 0.000 0.000 0.260 23 L C -2.545 174.191 176.870 -0.223 0.000 0.997 23 L CA -1.834 52.888 54.840 -0.195 0.000 0.890 23 L CB 1.998 43.965 42.059 -0.154 0.000 1.179 23 L HN -0.116 nan 8.230 nan 0.000 0.439 24 P HA -0.031 nan 4.420 nan 0.000 0.286 24 P C 1.342 178.482 177.300 -0.266 0.000 1.577 24 P CA 0.400 63.252 63.100 -0.414 0.000 0.805 24 P CB -0.073 31.308 31.700 -0.533 0.000 1.706 25 I N -0.307 120.145 120.570 -0.196 0.000 2.361 25 I HA -0.217 3.953 4.170 0.000 0.000 0.251 25 I C 1.749 177.757 176.117 -0.182 0.000 1.133 25 I CA 1.167 62.370 61.300 -0.161 0.000 1.413 25 I CB 0.202 38.132 38.000 -0.117 0.000 1.073 25 I HN -0.141 nan 8.210 nan 0.000 0.424 26 V N 1.275 121.059 119.914 -0.216 0.000 2.453 26 V HA -0.203 3.917 4.120 0.000 0.000 0.247 26 V C 2.740 178.508 176.094 -0.543 0.000 1.048 26 V CA 1.540 63.658 62.300 -0.304 0.000 1.049 26 V CB -1.211 30.454 31.823 -0.263 0.000 0.672 26 V HN 0.562 nan 8.190 nan 0.000 0.457 27 A N 0.303 122.759 122.820 -0.606 0.000 1.851 27 A HA -0.243 4.077 4.320 0.000 0.000 0.216 27 A C 2.196 179.677 177.584 -0.172 0.000 1.195 27 A CA 2.296 54.017 52.037 -0.527 0.000 0.622 27 A CB -0.762 18.149 19.000 -0.149 0.000 0.831 27 A HN 0.421 nan 8.150 nan 0.000 0.444 28 L N -0.198 120.940 121.223 -0.142 0.000 1.978 28 L HA -0.240 4.100 4.340 0.000 0.000 0.218 28 L C 2.825 179.653 176.870 -0.071 0.000 1.075 28 L CA 2.674 57.459 54.840 -0.093 0.000 0.767 28 L CB -0.851 41.129 42.059 -0.133 0.000 0.890 28 L HN 0.421 nan 8.230 nan 0.000 0.434 29 A N -1.693 121.070 122.820 -0.096 0.000 1.927 29 A HA -0.345 3.975 4.320 0.000 0.000 0.220 29 A C 2.264 179.843 177.584 -0.009 0.000 1.185 29 A CA 2.251 54.250 52.037 -0.063 0.000 0.639 29 A CB -1.324 17.629 19.000 -0.077 0.000 0.820 29 A HN 0.701 nan 8.150 nan 0.000 0.451 30 Y N 1.296 121.509 120.300 -0.145 0.000 2.049 30 Y HA -0.252 4.298 4.550 0.000 0.000 0.277 30 Y C 1.990 177.903 175.900 0.022 0.000 1.143 30 Y CA 2.252 60.314 58.100 -0.063 0.000 1.115 30 Y CB -0.402 38.002 38.460 -0.093 0.000 0.975 30 Y HN 0.380 nan 8.280 nan 0.000 0.487 31 D N -0.749 119.704 120.400 0.088 0.000 2.228 31 D HA -0.183 4.457 4.640 0.000 0.000 0.203 31 D C 1.996 178.280 176.300 -0.027 0.000 0.988 31 D CA 1.888 55.875 54.000 -0.022 0.000 0.864 31 D CB -0.415 40.430 40.800 0.075 0.000 0.928 31 D HN 0.433 nan 8.370 nan 0.000 0.469 32 T N 0.347 114.907 114.554 0.010 0.000 2.896 32 T HA -0.024 4.326 4.350 0.000 0.000 0.263 32 T C 1.762 176.560 174.700 0.163 0.000 1.050 32 T CA 0.105 62.260 62.100 0.092 0.000 1.140 32 T CB 0.139 68.972 68.868 -0.060 0.000 0.877 32 T HN 0.024 nan 8.240 nan 0.000 0.457 33 I N 0.508 121.137 120.570 0.099 0.000 3.793 33 I HA 0.234 4.404 4.170 0.000 0.000 0.315 33 I C 1.161 177.442 176.117 0.273 0.000 1.275 33 I CA 0.558 62.016 61.300 0.263 0.000 1.214 33 I CB -0.008 38.097 38.000 0.175 0.000 1.018 33 I HN 0.093 nan 8.210 nan 0.000 0.439 34 M N -0.493 119.097 119.600 -0.017 0.000 2.367 34 M HA 0.294 4.774 4.480 0.000 0.000 0.256 34 M C 0.856 177.179 176.300 0.038 0.000 1.091 34 M CA -0.271 54.992 55.300 -0.062 0.000 1.049 34 M CB -0.305 31.931 32.600 -0.607 0.000 1.406 34 M HN -0.009 nan 8.290 nan 0.000 0.498 35 I N 5.147 125.719 120.570 0.003 0.000 3.076 35 I HA -0.076 4.094 4.170 0.000 0.000 0.321 35 I C -1.732 174.435 176.117 0.083 0.000 1.216 35 I CA -0.532 60.749 61.300 -0.032 0.000 1.460 35 I CB 0.746 38.634 38.000 -0.186 0.000 1.313 35 I HN -0.008 nan 8.210 nan 0.000 0.546 36 P HA 0.099 nan 4.420 nan 0.000 0.271 36 P C -1.180 176.174 177.300 0.091 0.000 1.226 36 P CA -0.030 63.133 63.100 0.105 0.000 0.765 36 P CB 0.613 32.366 31.700 0.089 0.000 0.835 37 T N 5.371 120.025 114.554 0.167 0.000 2.848 37 T HA 0.374 4.724 4.350 0.000 0.000 0.285 37 T C -2.604 172.166 174.700 0.116 0.000 0.995 37 T CA -1.904 60.292 62.100 0.159 0.000 0.970 37 T CB 1.192 70.255 68.868 0.325 0.000 0.976 37 T HN 0.264 nan 8.240 nan 0.000 0.441 38 P HA -0.022 nan 4.420 nan 0.000 0.261 38 P C 0.478 177.687 177.300 -0.152 0.000 1.158 38 P CA 0.273 63.290 63.100 -0.137 0.000 0.758 38 P CB 0.793 32.370 31.700 -0.204 0.000 0.763 39 R N 2.896 123.168 120.500 -0.379 0.000 2.115 39 R HA -0.124 4.216 4.340 0.000 0.000 0.230 39 R C 1.879 177.821 176.300 -0.596 0.000 1.111 39 R CA 1.515 57.173 56.100 -0.738 0.000 0.976 39 R CB -0.513 28.776 30.300 -1.686 0.000 0.870 39 R HN 0.582 nan 8.270 nan 0.000 0.445 40 N N 1.566 120.029 118.700 -0.397 0.000 2.512 40 N HA -0.101 4.639 4.740 0.000 0.000 0.183 40 N C 0.264 175.591 175.510 -0.305 0.000 1.073 40 N CA 0.425 53.351 53.050 -0.206 0.000 0.911 40 N CB -0.365 38.053 38.487 -0.115 0.000 0.964 40 N HN 0.167 nan 8.380 nan 0.000 0.447 41 L N 2.065 123.018 121.223 -0.450 0.000 2.653 41 L HA -0.142 4.198 4.340 0.000 0.000 0.288 41 L C 0.682 177.282 176.870 -0.451 0.000 1.243 41 L CA 0.104 54.492 54.840 -0.753 0.000 0.906 41 L CB -0.397 41.166 42.059 -0.827 0.000 1.154 41 L HN 0.362 nan 8.230 nan 0.000 0.498 42 N N 1.496 119.953 118.700 -0.404 0.000 2.643 42 N HA 0.169 4.909 4.740 0.000 0.000 0.305 42 N C 0.308 175.823 175.510 0.008 0.000 1.283 42 N CA -0.663 52.277 53.050 -0.184 0.000 0.946 42 N CB 0.065 38.572 38.487 0.033 0.000 1.149 42 N HN 0.467 nan 8.380 nan 0.000 0.600 43 W N -1.182 120.251 121.300 0.222 0.000 2.424 43 W HA 0.046 4.706 4.660 -0.000 0.000 0.264 43 W C 1.294 177.959 176.519 0.243 0.000 1.229 43 W CA 0.009 57.467 57.345 0.188 0.000 1.208 43 W CB -0.110 29.450 29.460 0.167 0.000 1.127 43 W HN 0.302 nan 8.180 nan 0.000 0.588 44 M N -1.158 118.819 119.600 0.628 0.000 2.682 44 M HA -0.060 4.420 4.480 0.000 0.000 0.235 44 M C 0.823 177.396 176.300 0.454 0.000 1.114 44 M CA 0.661 56.340 55.300 0.633 0.000 1.053 44 M CB -0.977 31.944 32.600 0.536 0.000 1.599 44 M HN 0.320 nan 8.290 nan 0.000 0.520 45 W N 0.143 121.504 121.300 0.102 0.000 3.220 45 W HA 0.133 4.793 4.660 0.000 0.000 0.328 45 W C 1.679 178.188 176.519 -0.017 0.000 1.205 45 W CA 0.116 57.476 57.345 0.026 0.000 1.773 45 W CB 0.280 29.667 29.460 -0.122 0.000 1.086 45 W HN 0.233 nan 8.180 nan 0.000 0.622 46 I N -3.161 117.424 120.570 0.025 0.000 2.617 46 I HA -0.105 4.065 4.170 0.000 0.000 0.256 46 I C 1.838 177.801 176.117 -0.256 0.000 1.167 46 I CA 1.016 62.227 61.300 -0.147 0.000 1.469 46 I CB -0.799 37.034 38.000 -0.278 0.000 1.098 46 I HN -0.193 nan 8.210 nan 0.000 0.436 47 W N 2.356 123.750 121.300 0.156 0.000 2.325 47 W HA -0.083 4.577 4.660 0.000 0.000 0.299 47 W C 2.720 179.207 176.519 -0.054 0.000 1.215 47 W CA 1.304 58.700 57.345 0.085 0.000 1.244 47 W CB -0.949 28.601 29.460 0.151 0.000 1.140 47 W HN 0.228 nan 8.180 nan 0.000 0.523 48 G N 0.278 109.126 108.800 0.080 0.000 2.476 48 G HA2 -0.304 3.656 3.960 0.000 0.000 0.218 48 G HA3 -0.304 3.656 3.960 0.000 0.000 0.218 48 G C 1.526 176.444 174.900 0.031 0.000 1.164 48 G CA 1.724 46.774 45.100 -0.083 0.000 0.768 48 G HN 0.186 nan 8.290 nan 0.000 0.560 49 V N 0.432 120.397 119.914 0.084 0.000 2.358 49 V HA -0.156 3.964 4.120 0.000 0.000 0.246 49 V C 3.116 179.269 176.094 0.099 0.000 1.047 49 V CA 1.527 63.896 62.300 0.115 0.000 1.035 49 V CB -0.135 31.767 31.823 0.133 0.000 0.658 49 V HN 0.261 nan 8.190 nan 0.000 0.452 50 V N -0.164 119.786 119.914 0.060 0.000 2.453 50 V HA -0.314 3.806 4.120 0.000 0.000 0.252 50 V C 2.254 178.421 176.094 0.120 0.000 1.068 50 V CA 2.038 64.387 62.300 0.081 0.000 1.070 50 V CB -0.706 31.205 31.823 0.148 0.000 0.664 50 V HN 0.446 nan 8.190 nan 0.000 0.461 51 L N -0.153 121.132 121.223 0.104 0.000 2.005 51 L HA -0.112 4.228 4.340 0.000 0.000 0.207 51 L C 2.809 179.661 176.870 -0.030 0.000 1.072 51 L CA 1.475 56.361 54.840 0.077 0.000 0.744 51 L CB -0.874 41.228 42.059 0.070 0.000 0.895 51 L HN 0.338 nan 8.230 nan 0.000 0.433 52 A N 0.303 123.145 122.820 0.037 0.000 1.881 52 A HA -0.355 3.965 4.320 0.000 0.000 0.219 52 A C 2.195 179.747 177.584 -0.053 0.000 1.215 52 A CA 2.345 54.397 52.037 0.025 0.000 0.648 52 A CB -1.266 17.797 19.000 0.104 0.000 0.832 52 A HN 0.423 nan 8.150 nan 0.000 0.455 53 F N 0.476 120.359 119.950 -0.110 0.000 2.063 53 F HA -0.330 4.197 4.527 0.000 0.000 0.298 53 F C 2.591 178.236 175.800 -0.259 0.000 1.109 53 F CA 1.914 59.836 58.000 -0.130 0.000 1.212 53 F CB -0.861 38.082 39.000 -0.094 0.000 0.973 53 F HN 0.342 nan 8.300 nan 0.000 0.480 54 C N 0.086 119.221 119.300 -0.275 0.000 2.398 54 C HA -0.208 4.252 4.460 0.000 0.000 0.276 54 C C 2.664 177.118 174.990 -0.892 0.000 1.222 54 C CA 1.123 59.744 59.018 -0.661 0.000 1.746 54 C CB -1.568 25.605 27.740 -0.945 0.000 2.039 54 C HN 0.670 nan 8.230 nan 0.000 0.470 55 L N 0.892 121.613 121.223 -0.836 0.000 1.989 55 L HA -0.129 4.211 4.340 0.000 0.000 0.211 55 L C 2.518 179.143 176.870 -0.408 0.000 1.071 55 L CA 2.037 56.528 54.840 -0.582 0.000 0.749 55 L CB -0.920 40.973 42.059 -0.277 0.000 0.890 55 L HN 0.234 nan 8.230 nan 0.000 0.431 56 V N -0.552 119.142 119.914 -0.367 0.000 2.237 56 V HA -0.296 3.824 4.120 0.000 0.000 0.245 56 V C 2.500 178.380 176.094 -0.357 0.000 1.046 56 V CA 1.749 63.865 62.300 -0.307 0.000 1.007 56 V CB -0.954 30.700 31.823 -0.282 0.000 0.638 56 V HN 0.557 nan 8.190 nan 0.000 0.445 57 L N 0.352 121.244 121.223 -0.552 0.000 1.991 57 L HA -0.278 4.062 4.340 0.000 0.000 0.221 57 L C 2.545 179.276 176.870 -0.230 0.000 1.079 57 L CA 2.182 56.750 54.840 -0.452 0.000 0.778 57 L CB -1.011 40.695 42.059 -0.588 0.000 0.893 57 L HN 0.307 nan 8.230 nan 0.000 0.437 58 Q N -0.276 119.363 119.800 -0.269 0.000 2.112 58 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 58 Q C 2.395 178.365 176.000 -0.051 0.000 0.987 58 Q CA 2.452 58.184 55.803 -0.117 0.000 0.858 58 Q CB -0.489 28.098 28.738 -0.251 0.000 0.905 58 Q HN 0.693 nan 8.270 nan 0.000 0.420 59 I N 0.297 120.759 120.570 -0.179 0.000 2.252 59 I HA -0.215 3.955 4.170 0.000 0.000 0.245 59 I C 2.464 178.499 176.117 -0.137 0.000 1.102 59 I CA 1.091 62.269 61.300 -0.203 0.000 1.385 59 I CB -0.524 37.338 38.000 -0.230 0.000 1.064 59 I HN 0.088 nan 8.210 nan 0.000 0.414 60 V N -0.211 119.641 119.914 -0.103 0.000 2.283 60 V HA -0.221 3.899 4.120 0.000 0.000 0.243 60 V C 2.553 178.616 176.094 -0.051 0.000 1.039 60 V CA 2.301 64.565 62.300 -0.059 0.000 1.016 60 V CB -1.616 30.178 31.823 -0.049 0.000 0.650 60 V HN 0.555 nan 8.190 nan 0.000 0.449 61 T N -1.242 113.293 114.554 -0.032 0.000 2.849 61 T HA -0.044 4.306 4.350 0.000 0.000 0.270 61 T C 1.994 176.608 174.700 -0.143 0.000 1.066 61 T CA 1.667 63.755 62.100 -0.020 0.000 1.130 61 T CB -1.328 67.589 68.868 0.081 0.000 0.864 61 T HN 0.807 nan 8.240 nan 0.000 0.481 62 G N 2.002 110.681 108.800 -0.202 0.000 2.464 62 G HA2 -0.055 3.905 3.960 0.000 0.000 0.214 62 G HA3 -0.055 3.905 3.960 0.000 0.000 0.214 62 G C 1.521 176.251 174.900 -0.283 0.000 1.218 62 G CA 0.775 45.633 45.100 -0.403 0.000 0.794 62 G HN 0.549 nan 8.290 nan 0.000 0.542 63 I N 0.594 121.041 120.570 -0.205 0.000 2.185 63 I HA -0.233 3.938 4.170 0.000 0.000 0.246 63 I C 2.813 178.923 176.117 -0.012 0.000 1.088 63 I CA 0.790 62.035 61.300 -0.091 0.000 1.347 63 I CB -0.551 37.461 38.000 0.019 0.000 1.041 63 I HN 0.037 nan 8.210 nan 0.000 0.415 64 V N 1.179 121.088 119.914 -0.008 0.000 2.233 64 V HA -0.307 3.813 4.120 0.000 0.000 0.247 64 V C 2.466 178.629 176.094 0.115 0.000 1.050 64 V CA 1.997 64.330 62.300 0.056 0.000 1.010 64 V CB -0.613 31.236 31.823 0.043 0.000 0.637 64 V HN 0.354 nan 8.190 nan 0.000 0.444 65 L N 0.141 121.389 121.223 0.043 0.000 2.043 65 L HA -0.243 4.097 4.340 0.000 0.000 0.212 65 L C 2.692 179.653 176.870 0.151 0.000 1.075 65 L CA 1.741 56.634 54.840 0.087 0.000 0.752 65 L CB -0.820 41.188 42.059 -0.085 0.000 0.891 65 L HN 0.401 nan 8.230 nan 0.000 0.432 66 A N -0.332 122.541 122.820 0.087 0.000 2.032 66 A HA -0.247 4.073 4.320 0.000 0.000 0.221 66 A C 2.202 179.904 177.584 0.196 0.000 1.165 66 A CA 1.892 54.064 52.037 0.226 0.000 0.645 66 A CB -0.559 18.536 19.000 0.159 0.000 0.807 66 A HN 0.476 nan 8.150 nan 0.000 0.453 67 M N -1.398 118.226 119.600 0.040 0.000 2.619 67 M HA -0.006 4.474 4.480 0.000 0.000 0.251 67 M C 1.061 177.072 176.300 -0.482 0.000 1.106 67 M CA 0.839 56.020 55.300 -0.198 0.000 1.086 67 M CB -0.207 32.206 32.600 -0.311 0.000 1.465 67 M HN 0.472 nan 8.290 nan 0.000 0.506 68 H N -2.602 116.545 119.070 0.129 0.000 3.241 68 H HA 0.176 4.732 4.556 0.000 0.000 0.260 68 H C -0.294 175.104 175.328 0.116 0.000 1.084 68 H CA -0.215 55.908 56.048 0.126 0.000 1.203 68 H CB 0.396 30.253 29.762 0.158 0.000 1.524 68 H HN 0.239 nan 8.280 nan 0.000 0.521 69 Y N 2.510 122.854 120.300 0.073 0.000 2.304 69 Y HA 0.243 4.793 4.550 0.000 0.000 0.327 69 Y C -0.162 175.653 175.900 -0.143 0.000 1.209 69 Y CA 0.174 58.269 58.100 -0.008 0.000 1.299 69 Y CB 1.038 39.508 38.460 0.017 0.000 1.249 69 Y HN -0.212 nan 8.280 nan 0.000 0.519 70 T N 8.521 122.454 114.554 -1.034 0.000 2.864 70 T HA 0.247 4.597 4.350 0.000 0.000 0.310 70 T C -2.826 171.205 174.700 -1.115 0.000 1.040 70 T CA -1.408 60.199 62.100 -0.821 0.000 0.977 70 T CB 1.022 69.595 68.868 -0.491 0.000 0.976 70 T HN 0.431 nan 8.240 nan 0.000 0.459 71 P HA 0.129 nan 4.420 nan 0.000 0.256 71 P C -0.703 176.436 177.300 -0.267 0.000 1.688 71 P CA 0.127 62.956 63.100 -0.451 0.000 1.162 71 P CB -0.171 31.256 31.700 -0.456 0.000 1.870 72 H N 3.394 122.187 119.070 -0.462 0.000 3.212 72 H HA 0.006 4.562 4.556 0.000 0.000 0.306 72 H C 1.032 176.084 175.328 -0.460 0.000 1.198 72 H CA -0.245 55.555 56.048 -0.414 0.000 1.532 72 H CB 1.209 30.784 29.762 -0.312 0.000 2.133 72 H HN -0.001 nan 8.280 nan 0.000 0.395 73 V N 1.997 121.466 119.914 -0.743 0.000 2.295 73 V HA -0.397 3.723 4.120 0.000 0.000 0.261 73 V C 1.646 177.614 176.094 -0.209 0.000 1.097 73 V CA 2.621 64.473 62.300 -0.747 0.000 1.100 73 V CB -0.390 31.008 31.823 -0.708 0.000 0.737 73 V HN 0.660 nan 8.190 nan 0.000 0.458 74 D N 0.057 120.494 120.400 0.061 0.000 2.218 74 D HA -0.022 4.618 4.640 0.000 0.000 0.204 74 D C 1.989 178.304 176.300 0.025 0.000 0.976 74 D CA 2.101 56.151 54.000 0.084 0.000 0.853 74 D CB 0.007 40.885 40.800 0.129 0.000 0.939 74 D HN 0.610 nan 8.370 nan 0.000 0.481 75 L N -0.156 121.059 121.223 -0.014 0.000 2.435 75 L HA 0.227 4.567 4.340 0.000 0.000 0.195 75 L C 2.474 179.283 176.870 -0.103 0.000 1.072 75 L CA 0.482 55.264 54.840 -0.097 0.000 0.833 75 L CB -0.680 41.255 42.059 -0.206 0.000 1.081 75 L HN -0.156 nan 8.230 nan 0.000 0.485 76 A N 1.161 123.856 122.820 -0.208 0.000 1.853 76 A HA -0.401 3.919 4.320 0.000 0.000 0.255 76 A C 2.141 179.768 177.584 0.072 0.000 2.273 76 A CA 2.954 54.852 52.037 -0.232 0.000 0.797 76 A CB -1.507 17.389 19.000 -0.173 0.000 0.844 76 A HN 0.436 nan 8.150 nan 0.000 0.520 77 F N 0.456 120.442 119.950 0.059 0.000 2.075 77 F HA 0.030 4.557 4.527 0.000 0.000 0.297 77 F C 2.680 178.536 175.800 0.094 0.000 1.113 77 F CA 1.507 59.584 58.000 0.128 0.000 1.218 77 F CB -0.831 38.259 39.000 0.150 0.000 0.984 77 F HN 0.331 nan 8.300 nan 0.000 0.472 78 A N -0.598 122.283 122.820 0.102 0.000 1.892 78 A HA -0.277 4.043 4.320 0.000 0.000 0.218 78 A C 2.383 179.946 177.584 -0.036 0.000 1.188 78 A CA 2.292 54.324 52.037 -0.008 0.000 0.631 78 A CB -1.656 17.361 19.000 0.029 0.000 0.822 78 A HN 0.503 nan 8.150 nan 0.000 0.447 79 S N -0.666 115.004 115.700 -0.049 0.000 2.381 79 S HA -0.202 4.268 4.470 0.000 0.000 0.230 79 S C 1.855 176.499 174.600 0.073 0.000 1.052 79 S CA 2.217 60.384 58.200 -0.055 0.000 1.068 79 S CB -0.623 62.434 63.200 -0.239 0.000 0.918 79 S HN 0.369 nan 8.310 nan 0.000 0.448 80 V N 1.601 121.545 119.914 0.049 0.000 2.453 80 V HA -0.003 4.117 4.120 0.000 0.000 0.247 80 V C 2.807 178.879 176.094 -0.037 0.000 1.048 80 V CA 1.660 63.995 62.300 0.058 0.000 1.049 80 V CB -0.676 31.190 31.823 0.072 0.000 0.672 80 V HN 0.409 nan 8.190 nan 0.000 0.457 81 E N -0.124 119.987 120.200 -0.147 0.000 2.150 81 E HA -0.221 4.129 4.350 0.000 0.000 0.193 81 E C 2.073 178.649 176.600 -0.039 0.000 0.985 81 E CA 1.467 57.785 56.400 -0.135 0.000 0.814 81 E CB -0.309 29.268 29.700 -0.205 0.000 0.752 81 E HN 0.830 nan 8.360 nan 0.000 0.466 82 H N 0.978 120.002 119.070 -0.077 0.000 2.265 82 H HA -0.088 4.468 4.556 0.000 0.000 0.295 82 H C 2.149 177.450 175.328 -0.044 0.000 1.084 82 H CA 2.243 58.264 56.048 -0.046 0.000 1.261 82 H CB -0.408 29.335 29.762 -0.032 0.000 1.360 82 H HN 0.069 nan 8.280 nan 0.000 0.487 83 I N -0.139 120.382 120.570 -0.081 0.000 2.194 83 I HA -0.335 3.835 4.170 0.000 0.000 0.246 83 I C 2.238 178.251 176.117 -0.173 0.000 1.093 83 I CA 1.310 62.512 61.300 -0.163 0.000 1.355 83 I CB -0.354 37.638 38.000 -0.013 0.000 1.046 83 I HN 0.405 nan 8.210 nan 0.000 0.413 84 M N 0.263 119.799 119.600 -0.106 0.000 2.067 84 M HA -0.179 4.301 4.480 0.000 0.000 0.260 84 M C 2.396 178.677 176.300 -0.032 0.000 1.069 84 M CA 1.942 57.205 55.300 -0.063 0.000 1.117 84 M CB -1.168 31.391 32.600 -0.068 0.000 1.334 84 M HN 0.212 nan 8.290 nan 0.000 0.407 85 R N -0.687 119.764 120.500 -0.083 0.000 2.161 85 R HA 0.007 4.347 4.340 0.000 0.000 0.213 85 R C 1.593 177.828 176.300 -0.108 0.000 1.055 85 R CA 0.768 56.824 56.100 -0.073 0.000 0.996 85 R CB 0.023 30.287 30.300 -0.061 0.000 0.901 85 R HN 0.437 nan 8.270 nan 0.000 0.456 86 N N -0.280 118.274 118.700 -0.244 0.000 2.742 86 N HA 0.045 4.785 4.740 0.000 0.000 0.233 86 N C 0.233 175.579 175.510 -0.274 0.000 1.033 86 N CA 0.114 52.997 53.050 -0.278 0.000 0.993 86 N CB -0.000 38.236 38.487 -0.418 0.000 1.544 86 N HN -0.173 nan 8.380 nan 0.000 0.459 87 V N 3.893 123.557 119.914 -0.417 0.000 2.814 87 V HA -0.088 4.032 4.120 0.000 0.000 0.307 87 V C 0.393 176.354 176.094 -0.221 0.000 1.089 87 V CA -0.088 61.996 62.300 -0.361 0.000 1.212 87 V CB -0.075 31.389 31.823 -0.599 0.000 0.912 87 V HN 0.274 nan 8.190 nan 0.000 0.497 88 N N 4.268 122.871 118.700 -0.162 0.000 2.423 88 N HA 0.122 4.862 4.740 0.000 0.000 0.275 88 N C 1.174 176.590 175.510 -0.157 0.000 1.283 88 N CA 1.118 54.108 53.050 -0.100 0.000 0.932 88 N CB 0.672 39.125 38.487 -0.057 0.000 1.185 88 N HN 1.139 nan 8.380 nan 0.000 0.483 89 G N 1.656 110.338 108.800 -0.197 0.000 2.143 89 G HA2 -0.291 3.670 3.960 0.000 0.000 0.248 89 G HA3 -0.291 3.670 3.960 0.000 0.000 0.248 89 G C 1.201 175.766 174.900 -0.558 0.000 0.991 89 G CA 0.446 45.260 45.100 -0.477 0.000 0.689 89 G HN 0.682 nan 8.290 nan 0.000 0.522 90 G N 1.030 109.612 108.800 -0.363 0.000 2.459 90 G HA2 0.037 3.997 3.960 0.000 0.000 0.217 90 G HA3 0.037 3.997 3.960 0.000 0.000 0.217 90 G C 1.586 176.308 174.900 -0.297 0.000 1.183 90 G CA 1.579 46.506 45.100 -0.289 0.000 0.776 90 G HN 1.216 nan 8.290 nan 0.000 0.552 91 F N 0.766 120.625 119.950 -0.151 0.000 2.120 91 F HA -0.097 4.430 4.527 0.000 0.000 0.300 91 F C 2.332 178.040 175.800 -0.153 0.000 1.095 91 F CA 1.853 59.723 58.000 -0.217 0.000 1.249 91 F CB -0.689 38.221 39.000 -0.150 0.000 0.995 91 F HN 0.178 nan 8.300 nan 0.000 0.480 92 M N 0.399 119.372 119.600 -1.045 0.000 2.394 92 M HA 0.066 4.546 4.480 0.000 0.000 0.264 92 M C 1.661 177.878 176.300 -0.138 0.000 1.073 92 M CA 1.457 56.514 55.300 -0.404 0.000 1.111 92 M CB -0.422 31.827 32.600 -0.585 0.000 1.401 92 M HN 0.333 nan 8.290 nan 0.000 0.448 93 L N -1.223 119.882 121.223 -0.197 0.000 2.068 93 L HA -0.094 4.246 4.340 0.000 0.000 0.204 93 L C 2.708 179.596 176.870 0.031 0.000 1.076 93 L CA 0.695 55.500 54.840 -0.058 0.000 0.753 93 L CB -0.797 41.209 42.059 -0.088 0.000 0.910 93 L HN 0.238 nan 8.230 nan 0.000 0.439 94 R N 0.313 120.802 120.500 -0.019 0.000 2.122 94 R HA -0.248 4.092 4.340 0.000 0.000 0.236 94 R C 2.369 178.785 176.300 0.195 0.000 1.129 94 R CA 2.168 58.295 56.100 0.045 0.000 0.925 94 R CB -0.987 29.267 30.300 -0.077 0.000 0.850 94 R HN 0.207 nan 8.270 nan 0.000 0.431 95 Y N 1.023 121.412 120.300 0.150 0.000 2.139 95 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 95 Y C 2.518 178.498 175.900 0.133 0.000 1.179 95 Y CA 1.131 59.322 58.100 0.151 0.000 1.161 95 Y CB -0.859 37.683 38.460 0.135 0.000 0.970 95 Y HN 0.086 nan 8.280 nan 0.000 0.511 96 L N -1.521 119.862 121.223 0.267 0.000 2.056 96 L HA -0.256 4.084 4.340 0.000 0.000 0.207 96 L C 2.465 179.519 176.870 0.305 0.000 1.078 96 L CA 1.699 56.677 54.840 0.230 0.000 0.749 96 L CB -0.520 41.638 42.059 0.165 0.000 0.901 96 L HN 0.234 nan 8.230 nan 0.000 0.433 97 H N -0.409 118.758 119.070 0.161 0.000 2.353 97 H HA -0.137 4.419 4.556 0.000 0.000 0.300 97 H C 2.030 177.466 175.328 0.181 0.000 1.090 97 H CA 1.567 57.692 56.048 0.129 0.000 1.327 97 H CB 0.078 29.896 29.762 0.093 0.000 1.383 97 H HN 0.336 nan 8.280 nan 0.000 0.508 98 A N 0.605 123.586 122.820 0.270 0.000 1.832 98 A HA -0.177 4.143 4.320 0.000 0.000 0.214 98 A C 2.242 179.983 177.584 0.262 0.000 1.200 98 A CA 1.528 53.715 52.037 0.251 0.000 0.610 98 A CB -0.626 18.572 19.000 0.330 0.000 0.842 98 A HN 0.583 nan 8.150 nan 0.000 0.444 99 N N 0.202 119.095 118.700 0.321 0.000 2.430 99 N HA -0.136 4.604 4.740 0.000 0.000 0.186 99 N C 1.692 177.450 175.510 0.413 0.000 1.032 99 N CA 1.159 54.443 53.050 0.390 0.000 0.893 99 N CB -0.378 38.333 38.487 0.373 0.000 0.957 99 N HN 0.550 nan 8.380 nan 0.000 0.442 100 G N 1.026 109.998 108.800 0.288 0.000 2.418 100 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 100 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 100 G C 1.723 176.623 174.900 -0.000 0.000 1.158 100 G CA 0.966 46.092 45.100 0.045 0.000 0.771 100 G HN 0.395 nan 8.290 nan 0.000 0.545 101 A N 0.948 123.791 122.820 0.038 0.000 1.883 101 A HA -0.042 4.278 4.320 0.000 0.000 0.217 101 A C 2.726 180.390 177.584 0.133 0.000 1.186 101 A CA 2.397 54.450 52.037 0.026 0.000 0.624 101 A CB -0.781 18.242 19.000 0.039 0.000 0.822 101 A HN 0.323 nan 8.150 nan 0.000 0.444 102 S N -0.455 115.464 115.700 0.365 0.000 2.353 102 S HA -0.181 4.290 4.470 0.000 0.000 0.222 102 S C 1.899 176.805 174.600 0.511 0.000 1.035 102 S CA 1.537 60.133 58.200 0.660 0.000 1.025 102 S CB -0.579 63.072 63.200 0.752 0.000 0.902 102 S HN 0.518 nan 8.310 nan 0.000 0.440 103 L N 1.277 122.677 121.223 0.295 0.000 2.013 103 L HA -0.101 4.239 4.340 0.000 0.000 0.212 103 L C 1.997 178.975 176.870 0.179 0.000 1.073 103 L CA 1.769 56.705 54.840 0.160 0.000 0.753 103 L CB -0.896 41.065 42.059 -0.163 0.000 0.890 103 L HN 0.226 nan 8.230 nan 0.000 0.432 104 F N -0.530 119.339 119.950 -0.134 0.000 2.120 104 F HA -0.279 4.248 4.527 0.000 0.000 0.300 104 F C 2.143 177.703 175.800 -0.399 0.000 1.095 104 F CA 1.519 59.334 58.000 -0.309 0.000 1.249 104 F CB -0.836 37.863 39.000 -0.501 0.000 0.995 104 F HN 0.139 nan 8.300 nan 0.000 0.480 105 F N -0.032 119.887 119.950 -0.051 0.000 2.118 105 F HA -0.061 4.466 4.527 0.000 0.000 0.293 105 F C 2.472 178.241 175.800 -0.051 0.000 1.102 105 F CA 1.047 58.875 58.000 -0.288 0.000 1.247 105 F CB -1.086 37.624 39.000 -0.482 0.000 1.017 105 F HN -0.200 nan 8.300 nan 0.000 0.475 106 I N 0.175 121.057 120.570 0.519 0.000 2.182 106 I HA -0.435 3.735 4.170 0.000 0.000 0.248 106 I C 2.556 178.760 176.117 0.146 0.000 1.073 106 I CA 1.437 63.001 61.300 0.440 0.000 1.335 106 I CB -0.946 37.246 38.000 0.320 0.000 1.031 106 I HN 0.154 nan 8.210 nan 0.000 0.420 107 A N 0.821 123.713 122.820 0.119 0.000 1.841 107 A HA -0.155 4.165 4.320 0.000 0.000 0.214 107 A C 2.406 180.015 177.584 0.043 0.000 1.195 107 A CA 2.224 54.316 52.037 0.092 0.000 0.611 107 A CB -1.104 18.052 19.000 0.260 0.000 0.835 107 A HN 0.297 nan 8.150 nan 0.000 0.443 108 V N -2.333 117.571 119.914 -0.018 0.000 2.324 108 V HA -0.323 3.797 4.120 0.000 0.000 0.250 108 V C 2.386 178.491 176.094 0.019 0.000 1.060 108 V CA 2.069 64.346 62.300 -0.039 0.000 1.042 108 V CB -1.712 29.993 31.823 -0.197 0.000 0.650 108 V HN 0.522 nan 8.190 nan 0.000 0.450 109 Y N 0.655 121.042 120.300 0.146 0.000 2.145 109 Y HA -0.073 4.477 4.550 0.000 0.000 0.286 109 Y C 2.448 178.404 175.900 0.093 0.000 1.145 109 Y CA 0.990 59.144 58.100 0.091 0.000 1.148 109 Y CB -0.989 37.634 38.460 0.272 0.000 0.981 109 Y HN 0.164 nan 8.280 nan 0.000 0.507 110 L N -1.272 120.017 121.223 0.110 0.000 2.046 110 L HA -0.263 4.077 4.340 0.000 0.000 0.208 110 L C 2.463 179.343 176.870 0.016 0.000 1.077 110 L CA 1.819 56.582 54.840 -0.128 0.000 0.747 110 L CB -0.687 40.823 42.059 -0.914 0.000 0.896 110 L HN 0.251 nan 8.230 nan 0.000 0.432 111 H N 0.291 119.337 119.070 -0.039 0.000 2.319 111 H HA -0.179 4.377 4.556 0.000 0.000 0.299 111 H C 2.146 177.524 175.328 0.083 0.000 1.092 111 H CA 2.003 58.101 56.048 0.084 0.000 1.302 111 H CB -0.077 29.748 29.762 0.106 0.000 1.373 111 H HN 0.167 nan 8.280 nan 0.000 0.497 112 I N -0.831 119.780 120.570 0.069 0.000 2.142 112 I HA -0.274 3.896 4.170 0.000 0.000 0.240 112 I C 1.848 178.013 176.117 0.080 0.000 1.078 112 I CA 1.177 62.467 61.300 -0.017 0.000 1.343 112 I CB -0.314 37.571 38.000 -0.192 0.000 1.046 112 I HN 0.178 nan 8.210 nan 0.000 0.405 113 F N 0.700 120.728 119.950 0.129 0.000 2.161 113 F HA -0.218 4.309 4.527 0.000 0.000 0.300 113 F C 2.619 178.591 175.800 0.285 0.000 1.089 113 F CA 1.295 59.399 58.000 0.173 0.000 1.282 113 F CB -0.610 38.410 39.000 0.033 0.000 1.010 113 F HN 0.001 nan 8.300 nan 0.000 0.485 114 R N 1.171 121.890 120.500 0.366 0.000 2.083 114 R HA -0.149 4.191 4.340 0.000 0.000 0.237 114 R C 2.392 178.877 176.300 0.307 0.000 1.137 114 R CA 1.838 58.121 56.100 0.305 0.000 0.951 114 R CB -1.480 28.886 30.300 0.110 0.000 0.851 114 R HN 0.374 nan 8.270 nan 0.000 0.434 115 G N 1.321 110.245 108.800 0.207 0.000 2.446 115 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 115 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 115 G C 1.834 176.939 174.900 0.340 0.000 1.168 115 G CA 0.816 46.065 45.100 0.247 0.000 0.771 115 G HN 0.328 nan 8.290 nan 0.000 0.551 116 L N -1.093 120.402 121.223 0.454 0.000 2.042 116 L HA -0.117 4.223 4.340 0.000 0.000 0.210 116 L C 2.603 179.772 176.870 0.499 0.000 1.076 116 L CA 1.432 56.612 54.840 0.567 0.000 0.749 116 L CB -0.468 41.917 42.059 0.543 0.000 0.893 116 L HN 0.325 nan 8.230 nan 0.000 0.432 117 Y N -0.707 119.679 120.300 0.144 0.000 2.293 117 Y HA -0.232 4.318 4.550 0.000 0.000 0.291 117 Y C 1.631 177.161 175.900 -0.616 0.000 1.137 117 Y CA 1.396 59.145 58.100 -0.585 0.000 1.202 117 Y CB 0.020 37.826 38.460 -1.090 0.000 0.990 117 Y HN 0.079 nan 8.280 nan 0.000 0.537 118 Y N -0.165 120.044 120.300 -0.151 0.000 2.524 118 Y HA 0.315 4.865 4.550 0.000 0.000 0.266 118 Y C 1.612 177.310 175.900 -0.336 0.000 1.180 118 Y CA -0.006 57.968 58.100 -0.211 0.000 1.244 118 Y CB 0.307 38.798 38.460 0.053 0.000 1.125 118 Y HN 0.168 nan 8.280 nan 0.000 0.524 119 G N -0.161 108.385 108.800 -0.423 0.000 2.258 119 G HA2 -0.354 3.606 3.960 0.000 0.000 0.274 119 G HA3 -0.354 3.606 3.960 0.000 0.000 0.274 119 G C 1.207 175.700 174.900 -0.679 0.000 1.021 119 G CA 0.779 45.389 45.100 -0.818 0.000 0.798 119 G HN 0.383 nan 8.290 nan 0.000 0.507 120 S N -0.928 114.544 115.700 -0.380 0.000 2.507 120 S HA -0.025 4.445 4.470 0.000 0.000 0.235 120 S C 1.786 176.294 174.600 -0.154 0.000 0.988 120 S CA 1.612 59.715 58.200 -0.162 0.000 0.944 120 S CB -0.288 62.898 63.200 -0.022 0.000 0.762 120 S HN 0.949 nan 8.310 nan 0.000 0.526 121 Y N 0.721 120.892 120.300 -0.215 0.000 2.510 121 Y HA 0.435 4.985 4.550 0.000 0.000 0.273 121 Y C 0.341 176.031 175.900 -0.350 0.000 1.119 121 Y CA -0.831 57.053 58.100 -0.361 0.000 1.286 121 Y CB -0.477 37.264 38.460 -1.198 0.000 1.061 121 Y HN -0.088 nan 8.280 nan 0.000 0.542 122 K N 2.083 122.058 120.400 -0.708 0.000 2.382 122 K HA 0.390 4.710 4.320 0.000 0.000 0.275 122 K C 0.525 176.971 176.600 -0.258 0.000 1.009 122 K CA 0.121 56.142 56.287 -0.443 0.000 0.970 122 K CB 0.666 32.870 32.500 -0.494 0.000 0.934 122 K HN 0.337 nan 8.250 nan 0.000 0.479 123 A N 4.151 126.848 122.820 -0.206 0.000 2.632 123 A HA -0.031 4.289 4.320 0.000 0.000 0.229 123 A C -1.153 176.373 177.584 -0.097 0.000 1.047 123 A CA -0.480 51.482 52.037 -0.125 0.000 0.754 123 A CB -0.306 18.634 19.000 -0.100 0.000 0.969 123 A HN 0.655 nan 8.150 nan 0.000 0.509 124 P HA 0.045 nan 4.420 nan 0.000 0.253 124 P C 0.221 177.515 177.300 -0.010 0.000 1.260 124 P CA 0.250 63.333 63.100 -0.029 0.000 0.800 124 P CB 0.080 31.773 31.700 -0.012 0.000 1.162 125 R N 0.433 120.922 120.500 -0.018 0.000 2.535 125 R HA 0.081 4.421 4.340 0.000 0.000 0.233 125 R C 1.051 177.401 176.300 0.084 0.000 1.202 125 R CA 0.096 56.218 56.100 0.036 0.000 1.205 125 R CB -0.363 29.954 30.300 0.028 0.000 1.153 125 R HN 0.227 nan 8.270 nan 0.000 0.512 126 E N 0.590 120.816 120.200 0.042 0.000 2.028 126 E HA -0.151 4.199 4.350 0.000 0.000 0.191 126 E C 1.892 178.621 176.600 0.215 0.000 0.988 126 E CA 1.323 57.766 56.400 0.073 0.000 0.799 126 E CB -0.074 29.628 29.700 0.003 0.000 0.755 126 E HN 0.053 nan 8.360 nan 0.000 0.447 127 V N 1.190 121.205 119.914 0.168 0.000 2.282 127 V HA -0.338 3.782 4.120 0.000 0.000 0.249 127 V C 2.197 178.414 176.094 0.204 0.000 1.057 127 V CA 2.288 64.689 62.300 0.168 0.000 1.032 127 V CB -1.157 30.714 31.823 0.079 0.000 0.645 127 V HN 0.358 nan 8.190 nan 0.000 0.447 128 T N -0.739 113.939 114.554 0.207 0.000 2.570 128 T HA -0.330 4.020 4.350 0.000 0.000 0.266 128 T C 1.498 176.407 174.700 0.348 0.000 1.071 128 T CA 2.230 64.496 62.100 0.276 0.000 1.172 128 T CB -0.532 68.475 68.868 0.231 0.000 0.864 128 T HN 0.698 nan 8.240 nan 0.000 0.421 129 W N 1.669 123.072 121.300 0.171 0.000 2.302 129 W HA -0.224 4.436 4.660 0.000 0.000 0.320 129 W C 2.056 178.668 176.519 0.154 0.000 1.241 129 W CA 1.475 58.913 57.345 0.156 0.000 1.264 129 W CB -0.708 28.824 29.460 0.120 0.000 1.154 129 W HN 0.288 nan 8.180 nan 0.000 0.483 130 I N 0.258 120.983 120.570 0.259 0.000 2.127 130 I HA -0.375 3.795 4.170 0.000 0.000 0.241 130 I C 2.445 178.590 176.117 0.048 0.000 1.075 130 I CA 1.750 63.149 61.300 0.165 0.000 1.334 130 I CB -1.353 36.801 38.000 0.256 0.000 1.040 130 I HN -0.231 nan 8.210 nan 0.000 0.405 131 V N 1.222 121.195 119.914 0.097 0.000 2.252 131 V HA -0.302 3.818 4.120 0.000 0.000 0.249 131 V C 2.642 178.708 176.094 -0.046 0.000 1.056 131 V CA 2.397 64.740 62.300 0.071 0.000 1.022 131 V CB -1.606 30.318 31.823 0.167 0.000 0.641 131 V HN 0.629 nan 8.190 nan 0.000 0.445 132 G N -0.642 108.092 108.800 -0.109 0.000 2.505 132 G HA2 -0.325 3.635 3.960 0.000 0.000 0.220 132 G HA3 -0.325 3.635 3.960 0.000 0.000 0.220 132 G C 1.522 176.259 174.900 -0.272 0.000 1.145 132 G CA 1.392 46.291 45.100 -0.335 0.000 0.761 132 G HN 0.329 nan 8.290 nan 0.000 0.571 133 M N 0.157 119.580 119.600 -0.295 0.000 2.108 133 M HA 0.053 4.533 4.480 0.000 0.000 0.261 133 M C 2.714 178.998 176.300 -0.026 0.000 1.066 133 M CA 0.946 56.142 55.300 -0.173 0.000 1.107 133 M CB -1.229 31.281 32.600 -0.151 0.000 1.356 133 M HN 0.221 nan 8.290 nan 0.000 0.406 134 L N -0.440 120.763 121.223 -0.033 0.000 2.012 134 L HA -0.259 4.081 4.340 0.000 0.000 0.210 134 L C 2.433 179.287 176.870 -0.028 0.000 1.073 134 L CA 1.232 56.066 54.840 -0.010 0.000 0.748 134 L CB -0.673 41.388 42.059 0.003 0.000 0.891 134 L HN 0.226 nan 8.230 nan 0.000 0.431 135 I N -1.456 119.078 120.570 -0.059 0.000 2.118 135 I HA -0.384 3.786 4.170 0.000 0.000 0.241 135 I C 2.585 178.655 176.117 -0.077 0.000 1.070 135 I CA 1.594 62.845 61.300 -0.082 0.000 1.327 135 I CB -0.465 37.451 38.000 -0.139 0.000 1.034 135 I HN 0.206 nan 8.210 nan 0.000 0.405 136 Y N 1.548 121.740 120.300 -0.180 0.000 2.114 136 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 136 Y C 2.352 178.204 175.900 -0.079 0.000 1.165 136 Y CA 1.588 59.599 58.100 -0.148 0.000 1.148 136 Y CB -0.510 37.873 38.460 -0.129 0.000 0.972 136 Y HN 0.039 nan 8.280 nan 0.000 0.504 137 L N -0.756 120.387 121.223 -0.132 0.000 1.955 137 L HA -0.308 4.032 4.340 0.000 0.000 0.213 137 L C 2.762 179.545 176.870 -0.145 0.000 1.072 137 L CA 1.579 56.319 54.840 -0.166 0.000 0.755 137 L CB -1.240 40.793 42.059 -0.044 0.000 0.888 137 L HN 0.368 nan 8.230 nan 0.000 0.432 138 A N -0.194 122.571 122.820 -0.092 0.000 1.884 138 A HA -0.320 4.000 4.320 0.000 0.000 0.219 138 A C 2.249 179.776 177.584 -0.095 0.000 1.197 138 A CA 2.378 54.375 52.037 -0.067 0.000 0.637 138 A CB -0.663 18.304 19.000 -0.056 0.000 0.827 138 A HN 0.405 nan 8.150 nan 0.000 0.450 139 M N -1.372 118.117 119.600 -0.185 0.000 2.163 139 M HA -0.288 4.192 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 2.437 57.566 55.300 -0.284 0.000 1.093 139 M CB -0.620 31.635 32.600 -0.575 0.000 1.285 139 M HN 0.474 nan 8.290 nan 0.000 0.420 140 M N -0.229 119.351 119.600 -0.033 0.000 2.082 140 M HA -0.244 4.236 4.480 0.000 0.000 0.258 140 M C 2.525 178.965 176.300 0.232 0.000 1.071 140 M CA 2.029 57.447 55.300 0.196 0.000 1.103 140 M CB -0.868 31.710 32.600 -0.036 0.000 1.307 140 M HN 0.475 nan 8.290 nan 0.000 0.409 141 A N 0.224 123.104 122.820 0.099 0.000 1.896 141 A HA -0.245 4.075 4.320 0.000 0.000 0.220 141 A C 2.179 179.884 177.584 0.202 0.000 1.206 141 A CA 2.757 54.887 52.037 0.156 0.000 0.647 141 A CB -1.456 17.587 19.000 0.073 0.000 0.828 141 A HN 0.554 nan 8.150 nan 0.000 0.455 142 T N 0.238 114.867 114.554 0.125 0.000 2.545 142 T HA -0.086 4.264 4.350 0.000 0.000 0.261 142 T C 2.244 177.081 174.700 0.229 0.000 1.097 142 T CA 2.366 64.560 62.100 0.157 0.000 1.189 142 T CB -0.882 68.028 68.868 0.069 0.000 0.863 142 T HN 0.804 nan 8.240 nan 0.000 0.405 143 A N 1.209 124.155 122.820 0.210 0.000 2.023 143 A HA -0.203 4.117 4.320 0.000 0.000 0.223 143 A C 2.012 179.779 177.584 0.305 0.000 1.180 143 A CA 2.288 54.457 52.037 0.220 0.000 0.659 143 A CB -1.091 18.023 19.000 0.191 0.000 0.817 143 A HN 0.567 nan 8.150 nan 0.000 0.466 144 F N -0.258 119.838 119.950 0.243 0.000 2.098 144 F HA -0.050 4.477 4.527 0.000 0.000 0.294 144 F C 2.185 178.076 175.800 0.152 0.000 1.107 144 F CA 1.904 60.065 58.000 0.269 0.000 1.234 144 F CB -0.654 38.474 39.000 0.212 0.000 1.002 144 F HN 0.170 nan 8.300 nan 0.000 0.472 145 M N 0.677 119.936 119.600 -0.568 0.000 2.149 145 M HA -0.105 4.375 4.480 0.000 0.000 0.261 145 M C 2.469 178.520 176.300 -0.414 0.000 1.064 145 M CA 1.803 56.682 55.300 -0.702 0.000 1.102 145 M CB -1.263 31.008 32.600 -0.549 0.000 1.369 145 M HN 0.402 nan 8.290 nan 0.000 0.408 146 G N -0.688 107.781 108.800 -0.551 0.000 2.491 146 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 146 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 146 G C 1.285 176.100 174.900 -0.141 0.000 1.180 146 G CA 0.878 45.534 45.100 -0.739 0.000 0.774 146 G HN 0.407 nan 8.290 nan 0.000 0.562 147 Y N 1.284 121.529 120.300 -0.092 0.000 2.298 147 Y HA -0.128 4.422 4.550 0.000 0.000 0.287 147 Y C 2.889 178.819 175.900 0.050 0.000 1.164 147 Y CA 0.970 59.088 58.100 0.030 0.000 1.229 147 Y CB -0.232 38.293 38.460 0.109 0.000 0.977 147 Y HN 0.058 nan 8.280 nan 0.000 0.538 148 V N -0.134 119.802 119.914 0.037 0.000 2.307 148 V HA -0.330 3.790 4.120 0.000 0.000 0.245 148 V C 2.474 178.692 176.094 0.206 0.000 1.045 148 V CA 1.781 64.140 62.300 0.097 0.000 1.024 148 V CB -0.892 31.050 31.823 0.198 0.000 0.651 148 V HN 0.378 nan 8.190 nan 0.000 0.449 149 L N -0.014 121.294 121.223 0.141 0.000 2.011 149 L HA -0.239 4.101 4.340 0.000 0.000 0.225 149 L C 0.104 177.193 176.870 0.366 0.000 1.084 149 L CA 2.221 57.177 54.840 0.194 0.000 0.791 149 L CB -2.341 39.622 42.059 -0.159 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 0.166 177.775 177.300 0.514 0.000 1.141 150 P CA 0.913 64.231 63.100 0.364 0.000 0.794 150 P CB -0.142 31.678 31.700 0.200 0.000 0.764 151 W N -0.411 120.951 121.300 0.104 0.000 6.544 151 W HA -0.165 4.496 4.660 0.000 0.000 0.423 151 W C -0.028 176.429 176.519 -0.104 0.000 1.688 151 W CA 0.362 57.715 57.345 0.013 0.000 1.082 151 W CB -1.278 28.199 29.460 0.029 0.000 2.917 151 W HN -0.024 nan 8.180 nan 0.000 1.481 152 G N 0.932 109.631 108.800 -0.169 0.000 3.016 152 G HA2 0.299 4.259 3.960 0.000 0.000 0.270 152 G HA3 0.299 4.259 3.960 0.000 0.000 0.270 152 G C 0.432 175.124 174.900 -0.345 0.000 1.352 152 G CA -0.115 44.790 45.100 -0.324 0.000 1.060 152 G HN 0.189 nan 8.290 nan 0.000 0.538 153 Q N -0.708 118.950 119.800 -0.236 0.000 1.975 153 Q HA -0.126 4.214 4.340 0.000 0.000 0.205 153 Q C 2.778 178.760 176.000 -0.031 0.000 0.990 153 Q CA 1.309 57.055 55.803 -0.095 0.000 0.845 153 Q CB -0.373 28.372 28.738 0.012 0.000 0.913 153 Q HN 0.458 nan 8.270 nan 0.000 0.420 154 M N 0.555 120.105 119.600 -0.083 0.000 2.195 154 M HA -0.138 4.342 4.480 0.000 0.000 0.260 154 M C 2.169 178.435 176.300 -0.056 0.000 1.066 154 M CA 1.230 56.510 55.300 -0.033 0.000 1.089 154 M CB -1.250 31.349 32.600 -0.002 0.000 1.377 154 M HN 0.056 nan 8.290 nan 0.000 0.411 155 S N 0.530 116.073 115.700 -0.263 0.000 2.348 155 S HA -0.126 4.344 4.470 0.000 0.000 0.221 155 S C 1.661 176.151 174.600 -0.183 0.000 1.033 155 S CA 1.130 59.177 58.200 -0.255 0.000 1.010 155 S CB -0.512 62.526 63.200 -0.270 0.000 0.891 155 S HN 0.408 nan 8.310 nan 0.000 0.442 156 F N 1.246 120.822 119.950 -0.624 0.000 1.997 156 F HA -0.116 4.411 4.527 0.000 0.000 0.296 156 F C 1.972 177.441 175.800 -0.552 0.000 1.160 156 F CA 1.254 58.721 58.000 -0.887 0.000 1.176 156 F CB -1.036 37.200 39.000 -1.273 0.000 0.964 156 F HN 0.227 nan 8.300 nan 0.000 0.484 157 W N 0.597 121.815 121.300 -0.136 0.000 2.302 157 W HA -0.175 4.485 4.660 0.000 0.000 0.320 157 W C 2.743 179.200 176.519 -0.103 0.000 1.241 157 W CA 1.328 58.561 57.345 -0.187 0.000 1.264 157 W CB -1.354 28.065 29.460 -0.068 0.000 1.154 157 W HN 0.246 nan 8.180 nan 0.000 0.483 158 G N 0.296 109.217 108.800 0.201 0.000 2.505 158 G HA2 -0.312 3.649 3.960 0.000 0.000 0.220 158 G HA3 -0.312 3.649 3.960 0.000 0.000 0.220 158 G C 1.596 176.673 174.900 0.294 0.000 1.145 158 G CA 1.883 47.128 45.100 0.242 0.000 0.761 158 G HN 0.392 nan 8.290 nan 0.000 0.571 159 A N 0.059 123.046 122.820 0.278 0.000 1.877 159 A HA -0.006 4.314 4.320 0.000 0.000 0.216 159 A C 2.539 180.232 177.584 0.183 0.000 1.186 159 A CA 2.468 54.753 52.037 0.413 0.000 0.620 159 A CB -1.047 18.083 19.000 0.217 0.000 0.822 159 A HN 0.308 nan 8.150 nan 0.000 0.443 160 T N -0.225 114.271 114.554 -0.096 0.000 2.665 160 T HA -0.174 4.176 4.350 0.000 0.000 0.268 160 T C 1.857 176.596 174.700 0.065 0.000 1.035 160 T CA 1.833 63.864 62.100 -0.115 0.000 1.151 160 T CB -0.512 68.230 68.868 -0.211 0.000 0.862 160 T HN 0.153 nan 8.240 nan 0.000 0.438 161 V N 0.767 120.743 119.914 0.103 0.000 2.358 161 V HA -0.075 4.045 4.120 0.000 0.000 0.246 161 V C 2.331 178.468 176.094 0.071 0.000 1.047 161 V CA 1.405 63.761 62.300 0.093 0.000 1.035 161 V CB -0.480 31.394 31.823 0.086 0.000 0.658 161 V HN 0.445 nan 8.190 nan 0.000 0.452 162 I N 0.713 121.308 120.570 0.042 0.000 2.439 162 I HA -0.182 3.988 4.170 0.000 0.000 0.251 162 I C 2.571 178.810 176.117 0.202 0.000 1.139 162 I CA 1.746 63.006 61.300 -0.067 0.000 1.438 162 I CB -0.505 37.112 38.000 -0.638 0.000 1.085 162 I HN 0.478 nan 8.210 nan 0.000 0.427 163 T N -1.695 113.030 114.554 0.285 0.000 2.867 163 T HA -0.040 4.310 4.350 0.000 0.000 0.268 163 T C 2.081 177.002 174.700 0.369 0.000 1.057 163 T CA 0.911 63.236 62.100 0.374 0.000 1.136 163 T CB -1.057 67.979 68.868 0.279 0.000 0.874 163 T HN 0.406 nan 8.240 nan 0.000 0.466 164 G N 2.178 111.116 108.800 0.229 0.000 2.440 164 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 164 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 164 G C 1.496 176.486 174.900 0.150 0.000 1.154 164 G CA 0.791 45.994 45.100 0.172 0.000 0.767 164 G HN 0.526 nan 8.290 nan 0.000 0.552 165 L N -0.673 120.607 121.223 0.095 0.000 2.103 165 L HA -0.170 4.170 4.340 0.000 0.000 0.215 165 L C 2.668 179.451 176.870 -0.146 0.000 1.080 165 L CA 1.143 55.954 54.840 -0.048 0.000 0.764 165 L CB -0.551 41.408 42.059 -0.167 0.000 0.890 165 L HN 0.165 nan 8.230 nan 0.000 0.435 166 F N -0.237 119.800 119.950 0.146 0.000 2.367 166 F HA 0.004 4.531 4.527 0.000 0.000 0.298 166 F C 2.484 178.350 175.800 0.110 0.000 1.094 166 F CA 0.948 59.026 58.000 0.131 0.000 1.409 166 F CB -0.994 38.090 39.000 0.139 0.000 1.064 166 F HN -0.009 nan 8.300 nan 0.000 0.528 167 G N -0.381 108.559 108.800 0.233 0.000 2.559 167 G HA2 -0.069 3.891 3.960 0.000 0.000 0.216 167 G HA3 -0.069 3.891 3.960 0.000 0.000 0.216 167 G C 1.799 176.742 174.900 0.072 0.000 1.126 167 G CA 0.714 45.910 45.100 0.159 0.000 0.778 167 G HN 0.418 nan 8.290 nan 0.000 0.543 168 A N 0.278 123.139 122.820 0.067 0.000 2.016 168 A HA 0.311 4.631 4.320 0.000 0.000 0.217 168 A C 1.088 178.596 177.584 -0.127 0.000 1.162 168 A CA -0.041 52.028 52.037 0.054 0.000 0.662 168 A CB -0.134 18.980 19.000 0.189 0.000 0.812 168 A HN 0.289 nan 8.150 nan 0.000 0.450 169 I N 1.258 121.761 120.570 -0.112 0.000 2.775 169 I HA 0.060 4.230 4.170 0.000 0.000 0.290 169 I C -2.227 173.666 176.117 -0.374 0.000 1.203 169 I CA -1.127 59.986 61.300 -0.313 0.000 1.433 169 I CB 0.311 38.261 38.000 -0.083 0.000 1.354 169 I HN 0.070 nan 8.210 nan 0.000 0.579 170 P HA 0.196 nan 4.420 nan 0.000 0.275 170 P C 0.778 177.970 177.300 -0.182 0.000 1.227 170 P CA 0.585 63.475 63.100 -0.349 0.000 0.781 170 P CB 1.105 32.571 31.700 -0.390 0.000 0.906 171 G N 3.235 111.968 108.800 -0.111 0.000 4.610 171 G HA2 -0.399 3.561 3.960 0.000 0.000 0.323 171 G HA3 -0.399 3.561 3.960 0.000 0.000 0.323 171 G C 1.158 176.039 174.900 -0.031 0.000 1.377 171 G CA 0.563 45.626 45.100 -0.062 0.000 1.023 171 G HN 0.582 nan 8.290 nan 0.000 0.755 172 I N 0.183 120.729 120.570 -0.040 0.000 2.226 172 I HA 0.145 4.315 4.170 0.000 0.000 0.245 172 I C 2.778 178.909 176.117 0.024 0.000 1.100 172 I CA 2.253 63.541 61.300 -0.021 0.000 1.374 172 I CB -1.421 36.556 38.000 -0.040 0.000 1.057 172 I HN 0.845 nan 8.210 nan 0.000 0.413 173 G N 1.088 109.900 108.800 0.021 0.000 2.873 173 G HA2 -0.455 3.506 3.960 0.000 0.000 0.233 173 G HA3 -0.455 3.506 3.960 0.000 0.000 0.233 173 G C 1.628 176.631 174.900 0.172 0.000 1.124 173 G CA 2.002 47.150 45.100 0.080 0.000 0.747 173 G HN 0.756 nan 8.290 nan 0.000 0.644 174 H N 0.041 119.132 119.070 0.036 0.000 2.357 174 H HA -0.043 4.513 4.556 0.000 0.000 0.301 174 H C 2.951 178.323 175.328 0.073 0.000 1.082 174 H CA 1.113 57.195 56.048 0.056 0.000 1.342 174 H CB 0.160 29.942 29.762 0.035 0.000 1.389 174 H HN 0.435 nan 8.280 nan 0.000 0.511 175 S N 0.920 116.653 115.700 0.056 0.000 2.365 175 S HA -0.197 4.273 4.470 0.000 0.000 0.221 175 S C 2.219 176.853 174.600 0.056 0.000 1.037 175 S CA 1.494 59.677 58.200 -0.029 0.000 1.060 175 S CB -0.401 62.772 63.200 -0.045 0.000 0.974 175 S HN 0.367 nan 8.310 nan 0.000 0.427 176 I N 1.429 122.043 120.570 0.074 0.000 2.236 176 I HA -0.318 3.852 4.170 0.000 0.000 0.249 176 I C 2.852 179.140 176.117 0.285 0.000 1.102 176 I CA 1.504 62.889 61.300 0.141 0.000 1.365 176 I CB -0.427 37.667 38.000 0.155 0.000 1.051 176 I HN 0.434 nan 8.210 nan 0.000 0.420 177 Q N 0.219 120.179 119.800 0.266 0.000 2.020 177 Q HA -0.163 4.177 4.340 0.000 0.000 0.198 177 Q C 2.219 178.354 176.000 0.225 0.000 0.974 177 Q CA 2.131 58.100 55.803 0.277 0.000 0.829 177 Q CB 0.015 28.932 28.738 0.298 0.000 0.894 177 Q HN 0.455 nan 8.270 nan 0.000 0.433 178 T N 0.319 114.975 114.554 0.170 0.000 2.699 178 T HA -0.223 4.127 4.350 0.000 0.000 0.268 178 T C 0.967 175.764 174.700 0.163 0.000 1.036 178 T CA 1.553 63.716 62.100 0.105 0.000 1.147 178 T CB -0.511 68.342 68.868 -0.026 0.000 0.862 178 T HN 0.497 nan 8.240 nan 0.000 0.446 179 W N 1.758 123.053 121.300 -0.008 0.000 2.333 179 W HA -0.092 4.568 4.660 0.000 0.000 0.316 179 W C 1.862 178.389 176.519 0.013 0.000 1.215 179 W CA 0.948 58.290 57.345 -0.005 0.000 1.278 179 W CB -0.727 28.726 29.460 -0.011 0.000 1.154 179 W HN 0.143 nan 8.180 nan 0.000 0.486 180 L N 0.141 121.447 121.223 0.138 0.000 2.012 180 L HA -0.274 4.066 4.340 0.000 0.000 0.210 180 L C 2.468 179.302 176.870 -0.060 0.000 1.073 180 L CA 1.604 56.400 54.840 -0.073 0.000 0.748 180 L CB -1.140 40.964 42.059 0.075 0.000 0.891 180 L HN 0.106 nan 8.230 nan 0.000 0.431 181 L N -0.549 120.679 121.223 0.008 0.000 2.291 181 L HA -0.018 4.322 4.340 0.000 0.000 0.214 181 L C 1.637 178.465 176.870 -0.070 0.000 1.120 181 L CA 0.699 55.521 54.840 -0.031 0.000 0.799 181 L CB -0.739 41.336 42.059 0.026 0.000 0.925 181 L HN 0.537 nan 8.230 nan 0.000 0.446 182 G N -0.086 108.674 108.800 -0.068 0.000 2.168 182 G HA2 -0.153 3.807 3.960 0.000 0.000 0.257 182 G HA3 -0.153 3.807 3.960 0.000 0.000 0.257 182 G C 0.426 175.309 174.900 -0.028 0.000 0.997 182 G CA 0.235 45.294 45.100 -0.069 0.000 0.708 182 G HN 0.745 nan 8.290 nan 0.000 0.520 183 G N -1.825 106.974 108.800 -0.001 0.000 2.340 183 G HA2 0.701 4.661 3.960 0.000 0.000 0.299 183 G HA3 0.701 4.661 3.960 0.000 0.000 0.299 183 G C -1.623 173.300 174.900 0.038 0.000 1.291 183 G CA 0.376 45.484 45.100 0.013 0.000 0.841 183 G HN 0.251 nan 8.290 nan 0.000 0.500 184 P HA 0.238 nan 4.420 nan 0.000 0.223 184 P C 0.630 177.977 177.300 0.078 0.000 1.151 184 P CA 1.745 64.889 63.100 0.073 0.000 0.787 184 P CB 0.529 32.268 31.700 0.066 0.000 0.788 185 A N -0.895 121.960 122.820 0.059 0.000 2.564 185 A HA 0.501 4.821 4.320 0.000 0.000 0.288 185 A C -0.980 176.624 177.584 0.034 0.000 1.164 185 A CA -0.602 51.467 52.037 0.053 0.000 0.712 185 A CB 1.229 20.276 19.000 0.079 0.000 1.303 185 A HN -0.182 nan 8.150 nan 0.000 0.418 186 V N 2.148 122.053 119.914 -0.015 0.000 2.446 186 V HA 0.331 4.452 4.120 0.000 0.000 0.276 186 V C -0.055 176.178 176.094 0.230 0.000 1.030 186 V CA 0.921 63.214 62.300 -0.012 0.000 1.033 186 V CB 0.382 32.025 31.823 -0.300 0.000 0.993 186 V HN 0.959 nan 8.190 nan 0.000 0.477 187 D N 3.304 123.811 120.400 0.179 0.000 3.076 187 D HA 0.219 4.859 4.640 0.000 0.000 0.301 187 D C 0.953 177.231 176.300 -0.036 0.000 1.260 187 D CA -0.594 53.505 54.000 0.165 0.000 1.027 187 D CB 1.082 41.909 40.800 0.046 0.000 1.370 187 D HN 0.245 nan 8.370 nan 0.000 0.602 188 N N -0.297 118.279 118.700 -0.207 0.000 2.025 188 N HA -0.128 4.612 4.740 0.000 0.000 0.194 188 N C 1.632 176.965 175.510 -0.296 0.000 1.044 188 N CA 2.625 55.432 53.050 -0.404 0.000 0.851 188 N CB -0.387 37.824 38.487 -0.459 0.000 1.036 188 N HN 0.371 nan 8.380 nan 0.000 0.422 189 A N -0.751 121.951 122.820 -0.197 0.000 1.971 189 A HA -0.267 4.053 4.320 0.000 0.000 0.222 189 A C 2.208 179.679 177.584 -0.189 0.000 1.182 189 A CA 2.582 54.526 52.037 -0.155 0.000 0.649 189 A CB -1.435 17.499 19.000 -0.110 0.000 0.818 189 A HN 0.547 nan 8.150 nan 0.000 0.458 190 T N -0.293 114.118 114.554 -0.238 0.000 2.698 190 T HA -0.085 4.265 4.350 0.000 0.000 0.260 190 T C 1.830 176.207 174.700 -0.538 0.000 1.044 190 T CA 1.227 63.076 62.100 -0.418 0.000 1.149 190 T CB -0.541 68.081 68.868 -0.411 0.000 0.864 190 T HN 0.324 nan 8.240 nan 0.000 0.419 191 L N 2.124 123.111 121.223 -0.394 0.000 1.978 191 L HA -0.179 4.161 4.340 0.000 0.000 0.218 191 L C 2.047 178.860 176.870 -0.094 0.000 1.075 191 L CA 1.981 56.646 54.840 -0.292 0.000 0.767 191 L CB -1.341 40.362 42.059 -0.594 0.000 0.890 191 L HN 0.263 nan 8.230 nan 0.000 0.434 192 N N -0.826 117.798 118.700 -0.127 0.000 2.060 192 N HA -0.284 4.456 4.740 0.000 0.000 0.195 192 N C 1.930 177.518 175.510 0.130 0.000 1.028 192 N CA 2.018 55.073 53.050 0.008 0.000 0.861 192 N CB -0.172 38.285 38.487 -0.050 0.000 1.029 192 N HN 0.531 nan 8.380 nan 0.000 0.428 193 R N -0.858 119.681 120.500 0.066 0.000 2.148 193 R HA -0.066 4.274 4.340 0.000 0.000 0.223 193 R C 1.296 177.787 176.300 0.317 0.000 1.088 193 R CA 0.936 57.116 56.100 0.134 0.000 0.985 193 R CB -0.504 29.820 30.300 0.039 0.000 0.880 193 R HN 0.191 nan 8.270 nan 0.000 0.451 194 F N 0.805 120.781 119.950 0.044 0.000 2.206 194 F HA -0.006 4.521 4.527 0.000 0.000 0.298 194 F C 2.035 177.913 175.800 0.129 0.000 1.090 194 F CA -0.160 57.863 58.000 0.039 0.000 1.323 194 F CB -0.863 38.130 39.000 -0.011 0.000 1.028 194 F HN -0.074 nan 8.300 nan 0.000 0.492 195 F N 0.400 120.498 119.950 0.246 0.000 2.075 195 F HA -0.232 4.295 4.527 0.000 0.000 0.297 195 F C 2.801 178.735 175.800 0.223 0.000 1.113 195 F CA 1.837 59.965 58.000 0.213 0.000 1.218 195 F CB -1.001 38.132 39.000 0.221 0.000 0.984 195 F HN -0.075 nan 8.300 nan 0.000 0.472 196 S N 0.108 115.920 115.700 0.186 0.000 2.387 196 S HA -0.188 4.282 4.470 0.000 0.000 0.230 196 S C 2.100 176.719 174.600 0.032 0.000 1.035 196 S CA 1.764 59.998 58.200 0.057 0.000 1.014 196 S CB -0.521 62.741 63.200 0.104 0.000 0.836 196 S HN 0.441 nan 8.310 nan 0.000 0.466 197 L N -0.142 121.119 121.223 0.063 0.000 2.162 197 L HA 0.049 4.389 4.340 0.000 0.000 0.205 197 L C 2.501 179.383 176.870 0.020 0.000 1.086 197 L CA 1.306 56.164 54.840 0.031 0.000 0.778 197 L CB -0.657 41.401 42.059 -0.002 0.000 0.928 197 L HN 0.380 nan 8.230 nan 0.000 0.446 198 H N -0.735 118.282 119.070 -0.089 0.000 2.422 198 H HA -0.246 4.310 4.556 0.000 0.000 0.298 198 H C 2.013 177.243 175.328 -0.164 0.000 1.098 198 H CA 1.729 57.702 56.048 -0.126 0.000 1.315 198 H CB -0.058 29.633 29.762 -0.117 0.000 1.382 198 H HN 0.233 nan 8.280 nan 0.000 0.523 199 Y N -0.016 120.088 120.300 -0.325 0.000 2.092 199 Y HA -0.155 4.395 4.550 0.000 0.000 0.282 199 Y C 2.463 178.239 175.900 -0.206 0.000 1.126 199 Y CA 1.519 59.410 58.100 -0.350 0.000 1.111 199 Y CB -1.028 37.236 38.460 -0.327 0.000 0.987 199 Y HN 0.327 nan 8.280 nan 0.000 0.489 200 L N 0.282 121.625 121.223 0.199 0.000 1.978 200 L HA -0.278 4.062 4.340 0.000 0.000 0.218 200 L C 2.335 179.274 176.870 0.115 0.000 1.075 200 L CA 1.860 56.823 54.840 0.205 0.000 0.767 200 L CB -1.363 40.760 42.059 0.105 0.000 0.890 200 L HN 0.382 nan 8.230 nan 0.000 0.434 201 L N -0.621 120.604 121.223 0.002 0.000 2.010 201 L HA -0.262 4.078 4.340 0.000 0.000 0.219 201 L C 0.121 176.943 176.870 -0.081 0.000 1.077 201 L CA 2.219 57.043 54.840 -0.028 0.000 0.773 201 L CB -2.010 40.023 42.059 -0.043 0.000 0.892 201 L HN 0.270 nan 8.230 nan 0.000 0.436 202 P HA -0.218 nan 4.420 nan 0.000 0.216 202 P C 1.433 178.574 177.300 -0.264 0.000 1.154 202 P CA 1.659 64.578 63.100 -0.302 0.000 0.865 202 P CB -0.072 31.326 31.700 -0.502 0.000 0.789 203 F N -1.109 118.832 119.950 -0.016 0.000 2.134 203 F HA -0.154 4.373 4.527 0.000 0.000 0.299 203 F C 2.368 178.167 175.800 -0.002 0.000 1.097 203 F CA 0.990 58.987 58.000 -0.004 0.000 1.264 203 F CB -1.688 37.315 39.000 0.006 0.000 1.001 203 F HN -0.252 nan 8.300 nan 0.000 0.479 204 V N 0.629 120.642 119.914 0.165 0.000 2.287 204 V HA -0.319 3.801 4.120 0.000 0.000 0.248 204 V C 2.408 178.539 176.094 0.062 0.000 1.053 204 V CA 1.787 64.146 62.300 0.098 0.000 1.027 204 V CB -0.720 31.142 31.823 0.066 0.000 0.646 204 V HN 0.287 nan 8.190 nan 0.000 0.447 205 I N 0.546 121.131 120.570 0.025 0.000 2.091 205 I HA -0.331 3.839 4.170 0.000 0.000 0.239 205 I C 2.813 178.953 176.117 0.038 0.000 1.061 205 I CA 1.820 63.126 61.300 0.011 0.000 1.317 205 I CB -0.921 37.072 38.000 -0.013 0.000 1.031 205 I HN 0.334 nan 8.210 nan 0.000 0.401 206 A N 1.001 123.845 122.820 0.039 0.000 1.896 206 A HA -0.343 3.977 4.320 0.000 0.000 0.220 206 A C 2.554 180.185 177.584 0.078 0.000 1.206 206 A CA 2.839 54.912 52.037 0.060 0.000 0.647 206 A CB -1.155 17.897 19.000 0.087 0.000 0.828 206 A HN 0.530 nan 8.150 nan 0.000 0.455 207 A N -0.503 122.370 122.820 0.089 0.000 1.873 207 A HA -0.122 4.198 4.320 0.000 0.000 0.218 207 A C 2.231 179.869 177.584 0.090 0.000 1.193 207 A CA 1.733 53.819 52.037 0.082 0.000 0.629 207 A CB -0.756 18.293 19.000 0.080 0.000 0.826 207 A HN 0.528 nan 8.150 nan 0.000 0.447 208 L N -0.389 120.883 121.223 0.082 0.000 2.012 208 L HA -0.202 4.139 4.340 0.000 0.000 0.210 208 L C 2.537 179.484 176.870 0.128 0.000 1.073 208 L CA 1.440 56.335 54.840 0.092 0.000 0.748 208 L CB -0.841 41.249 42.059 0.052 0.000 0.891 208 L HN 0.271 nan 8.230 nan 0.000 0.431 209 V N 0.301 120.282 119.914 0.111 0.000 2.370 209 V HA -0.371 3.749 4.120 0.000 0.000 0.252 209 V C 2.764 178.977 176.094 0.198 0.000 1.068 209 V CA 1.859 64.260 62.300 0.168 0.000 1.061 209 V CB -1.216 30.684 31.823 0.129 0.000 0.656 209 V HN 0.521 nan 8.190 nan 0.000 0.455 210 A N 0.491 123.389 122.820 0.131 0.000 1.834 210 A HA -0.223 4.097 4.320 0.000 0.000 0.216 210 A C 2.163 179.840 177.584 0.155 0.000 1.203 210 A CA 2.290 54.383 52.037 0.093 0.000 0.621 210 A CB -0.703 18.331 19.000 0.056 0.000 0.841 210 A HN 0.468 nan 8.150 nan 0.000 0.446 211 I N -1.126 119.573 120.570 0.215 0.000 2.185 211 I HA -0.367 3.803 4.170 0.000 0.000 0.246 211 I C 2.537 178.806 176.117 0.254 0.000 1.088 211 I CA 2.154 63.634 61.300 0.300 0.000 1.347 211 I CB -0.745 37.404 38.000 0.248 0.000 1.041 211 I HN 0.605 nan 8.210 nan 0.000 0.415 212 H N 1.460 120.618 119.070 0.147 0.000 2.289 212 H HA -0.206 4.350 4.556 0.000 0.000 0.294 212 H C 2.117 177.558 175.328 0.189 0.000 1.095 212 H CA 2.259 58.426 56.048 0.198 0.000 1.256 212 H CB -0.292 29.608 29.762 0.229 0.000 1.359 212 H HN 0.262 nan 8.280 nan 0.000 0.487 213 I N -1.199 119.408 120.570 0.061 0.000 2.179 213 I HA -0.282 3.888 4.170 0.000 0.000 0.242 213 I C 2.288 178.018 176.117 -0.645 0.000 1.088 213 I CA 1.176 62.116 61.300 -0.600 0.000 1.357 213 I CB -0.535 37.268 38.000 -0.327 0.000 1.051 213 I HN 0.402 nan 8.210 nan 0.000 0.409 214 W N 2.344 123.406 121.300 -0.396 0.000 2.321 214 W HA -0.277 4.384 4.660 0.000 0.000 0.306 214 W C 2.542 178.957 176.519 -0.173 0.000 1.217 214 W CA 1.818 58.999 57.345 -0.272 0.000 1.257 214 W CB -0.621 28.757 29.460 -0.136 0.000 1.145 214 W HN 0.140 nan 8.180 nan 0.000 0.509 215 A N 0.386 123.141 122.820 -0.108 0.000 1.873 215 A HA -0.147 4.173 4.320 0.000 0.000 0.215 215 A C 1.958 179.530 177.584 -0.020 0.000 1.186 215 A CA 1.769 53.711 52.037 -0.158 0.000 0.616 215 A CB -1.731 17.236 19.000 -0.054 0.000 0.823 215 A HN 0.524 nan 8.150 nan 0.000 0.442 216 F N -1.841 118.113 119.950 0.006 0.000 2.748 216 F HA 0.103 4.630 4.527 0.000 0.000 0.299 216 F C 1.726 177.547 175.800 0.035 0.000 1.154 216 F CA 0.938 58.935 58.000 -0.006 0.000 1.446 216 F CB -0.857 38.101 39.000 -0.069 0.000 1.112 216 F HN 0.346 nan 8.300 nan 0.000 0.584 217 H N -0.408 118.502 119.070 -0.266 0.000 2.497 217 H HA 0.092 4.648 4.556 0.000 0.000 0.282 217 H C 1.581 176.907 175.328 -0.003 0.000 1.003 217 H CA 1.105 57.066 56.048 -0.147 0.000 1.307 217 H CB 0.373 30.003 29.762 -0.220 0.000 1.437 217 H HN 0.321 nan 8.280 nan 0.000 0.544 218 S N -0.256 115.494 115.700 0.083 0.000 2.527 218 S HA -0.065 4.405 4.470 0.000 0.000 0.222 218 S C 1.881 176.500 174.600 0.031 0.000 0.985 218 S CA 1.187 59.415 58.200 0.047 0.000 0.921 218 S CB 0.097 63.257 63.200 -0.068 0.000 0.772 218 S HN 0.598 nan 8.310 nan 0.000 0.529 219 T N -1.955 112.625 114.554 0.042 0.000 3.004 219 T HA 0.521 4.871 4.350 0.000 0.000 0.266 219 T C 0.811 175.535 174.700 0.041 0.000 0.986 219 T CA 0.321 62.443 62.100 0.037 0.000 0.902 219 T CB 0.432 69.323 68.868 0.038 0.000 1.118 219 T HN 0.541 nan 8.240 nan 0.000 0.522 220 G N 1.772 110.600 108.800 0.046 0.000 2.716 220 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 220 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 220 G C -0.925 174.006 174.900 0.052 0.000 1.337 220 G CA -0.829 44.285 45.100 0.023 0.000 0.829 220 G HN 0.488 nan 8.290 nan 0.000 0.599 221 N N 0.150 118.864 118.700 0.024 0.000 2.467 221 N HA 0.291 5.031 4.740 0.000 0.000 0.262 221 N C 0.420 175.947 175.510 0.028 0.000 1.234 221 N CA -0.194 52.870 53.050 0.024 0.000 0.952 221 N CB 0.981 39.445 38.487 -0.039 0.000 1.158 221 N HN 0.714 nan 8.380 nan 0.000 0.463 222 N N -0.136 118.626 118.700 0.103 0.000 2.492 222 N HA 0.203 4.943 4.740 0.000 0.000 0.289 222 N C -1.144 174.449 175.510 0.138 0.000 1.133 222 N CA -0.544 52.575 53.050 0.114 0.000 0.961 222 N CB 0.865 39.428 38.487 0.127 0.000 1.186 222 N HN 0.646 nan 8.380 nan 0.000 0.493 223 N N 0.072 118.770 118.700 -0.003 0.000 2.453 223 N HA 0.532 5.272 4.740 0.000 0.000 0.290 223 N C -2.442 172.986 175.510 -0.136 0.000 1.250 223 N CA -1.553 51.330 53.050 -0.278 0.000 0.815 223 N CB 1.809 40.131 38.487 -0.274 0.000 1.381 223 N HN 0.191 nan 8.380 nan 0.000 0.510 224 P HA -0.149 nan 4.420 nan 0.000 0.223 224 P C 0.792 178.206 177.300 0.189 0.000 1.144 224 P CA 1.401 64.497 63.100 -0.008 0.000 0.783 224 P CB -0.012 31.654 31.700 -0.055 0.000 0.771 225 T N -6.237 108.387 114.554 0.116 0.000 3.044 225 T HA 0.289 4.639 4.350 0.000 0.000 0.250 225 T C 1.684 176.517 174.700 0.223 0.000 1.081 225 T CA 0.616 62.857 62.100 0.236 0.000 1.040 225 T CB -0.717 68.283 68.868 0.220 0.000 0.962 225 T HN 0.183 nan 8.240 nan 0.000 0.506 226 G N 0.952 109.823 108.800 0.118 0.000 2.189 226 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 226 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 226 G C 0.119 175.044 174.900 0.041 0.000 0.975 226 G CA 0.240 45.379 45.100 0.065 0.000 0.644 226 G HN 0.756 nan 8.290 nan 0.000 0.537 227 V N 1.940 121.886 119.914 0.053 0.000 2.461 227 V HA 0.413 4.533 4.120 0.000 0.000 0.275 227 V C 0.871 176.965 176.094 0.000 0.000 1.047 227 V CA -0.933 61.379 62.300 0.021 0.000 0.955 227 V CB 1.543 33.380 31.823 0.023 0.000 0.988 227 V HN 0.302 nan 8.190 nan 0.000 0.471 228 E N 2.589 122.785 120.200 -0.007 0.000 2.435 228 E HA 0.198 4.548 4.350 0.000 0.000 0.256 228 E C -0.195 176.397 176.600 -0.014 0.000 1.245 228 E CA -0.183 56.210 56.400 -0.011 0.000 0.989 228 E CB 0.777 30.471 29.700 -0.010 0.000 0.983 228 E HN 0.389 nan 8.360 nan 0.000 0.480 229 V N 1.439 121.345 119.914 -0.014 0.000 2.644 229 V HA 0.182 4.302 4.120 0.000 0.000 0.295 229 V C 0.776 176.867 176.094 -0.006 0.000 1.053 229 V CA -0.380 61.912 62.300 -0.014 0.000 0.987 229 V CB 0.976 32.791 31.823 -0.013 0.000 1.006 229 V HN 0.438 nan 8.190 nan 0.000 0.472 230 R N 3.684 124.181 120.500 -0.005 0.000 2.404 230 R HA 0.177 4.517 4.340 0.000 0.000 0.315 230 R C 0.460 176.761 176.300 0.002 0.000 1.032 230 R CA -0.304 55.794 56.100 -0.002 0.000 0.992 230 R CB 0.403 30.702 30.300 -0.002 0.000 0.959 230 R HN 0.490 nan 8.270 nan 0.000 0.428 231 R N 1.624 122.125 120.500 0.002 0.000 2.388 231 R HA 0.007 4.347 4.340 0.000 0.000 0.247 231 R C 1.165 177.466 176.300 0.001 0.000 0.931 231 R CA 0.321 56.424 56.100 0.005 0.000 1.082 231 R CB 0.023 30.327 30.300 0.007 0.000 1.135 231 R HN 0.665 nan 8.270 nan 0.000 0.525 232 T N -2.157 112.396 114.554 -0.001 0.000 2.978 232 T HA 0.013 4.363 4.350 0.000 0.000 0.262 232 T C 1.015 175.712 174.700 -0.005 0.000 1.063 232 T CA 0.405 62.503 62.100 -0.003 0.000 1.140 232 T CB 0.120 68.986 68.868 -0.003 0.000 0.886 232 T HN 0.185 nan 8.240 nan 0.000 0.470 233 S N -0.356 115.342 115.700 -0.003 0.000 2.543 233 S HA 0.444 4.914 4.470 0.000 0.000 0.271 233 S C 0.233 174.833 174.600 0.001 0.000 1.148 233 S CA -1.085 57.113 58.200 -0.003 0.000 0.914 233 S CB 2.153 65.352 63.200 -0.001 0.000 1.096 233 S HN 0.124 nan 8.310 nan 0.000 0.471 234 K N 1.569 121.968 120.400 -0.001 0.000 2.173 234 K HA -0.199 4.121 4.320 0.000 0.000 0.207 234 K C 2.264 178.874 176.600 0.016 0.000 1.046 234 K CA 1.696 57.989 56.287 0.010 0.000 0.929 234 K CB -0.645 31.861 32.500 0.009 0.000 0.720 234 K HN 0.732 nan 8.250 nan 0.000 0.453 235 A N 2.599 125.426 122.820 0.011 0.000 1.834 235 A HA -0.261 4.059 4.320 0.000 0.000 0.216 235 A C 2.144 179.735 177.584 0.011 0.000 1.203 235 A CA 2.078 54.122 52.037 0.012 0.000 0.621 235 A CB -0.626 18.379 19.000 0.008 0.000 0.841 235 A HN 0.553 nan 8.150 nan 0.000 0.446 236 E N -0.226 119.979 120.200 0.007 0.000 2.208 236 E HA 0.062 4.412 4.350 0.000 0.000 0.193 236 E C 2.010 178.613 176.600 0.005 0.000 0.988 236 E CA 0.899 57.303 56.400 0.006 0.000 0.828 236 E CB -0.414 29.288 29.700 0.003 0.000 0.763 236 E HN 0.489 nan 8.360 nan 0.000 0.478 237 A N 2.006 124.830 122.820 0.007 0.000 1.883 237 A HA -0.259 4.061 4.320 0.000 0.000 0.217 237 A C 2.222 179.807 177.584 0.003 0.000 1.186 237 A CA 1.770 53.812 52.037 0.007 0.000 0.624 237 A CB -0.631 18.380 19.000 0.018 0.000 0.822 237 A HN 0.292 nan 8.150 nan 0.000 0.444 238 Q N -0.478 119.327 119.800 0.010 0.000 2.234 238 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 238 Q C 1.908 177.898 176.000 -0.016 0.000 0.980 238 Q CA 1.612 57.417 55.803 0.003 0.000 0.869 238 Q CB -0.187 28.562 28.738 0.018 0.000 0.912 238 Q HN 0.684 nan 8.270 nan 0.000 0.436 239 K N 0.260 120.658 120.400 -0.004 0.000 2.155 239 K HA -0.099 4.221 4.320 0.000 0.000 0.203 239 K C 1.308 177.905 176.600 -0.006 0.000 1.052 239 K CA 1.022 57.313 56.287 0.007 0.000 0.948 239 K CB 0.203 32.713 32.500 0.016 0.000 0.728 239 K HN 0.132 nan 8.250 nan 0.000 0.448 240 D N 0.227 120.610 120.400 -0.029 0.000 2.271 240 D HA -0.042 4.598 4.640 0.000 0.000 0.206 240 D C 1.132 177.354 176.300 -0.130 0.000 0.967 240 D CA 0.942 54.907 54.000 -0.058 0.000 0.867 240 D CB 0.391 41.169 40.800 -0.037 0.000 0.960 240 D HN 0.309 nan 8.370 nan 0.000 0.509 241 T N -1.951 112.536 114.554 -0.112 0.000 2.762 241 T HA 0.629 4.979 4.350 0.000 0.000 0.272 241 T C -0.311 174.283 174.700 -0.177 0.000 0.982 241 T CA -0.726 61.296 62.100 -0.129 0.000 1.013 241 T CB 2.021 70.869 68.868 -0.034 0.000 1.309 241 T HN -0.098 nan 8.240 nan 0.000 0.572 242 V N -2.550 117.272 119.914 -0.154 0.000 3.120 242 V HA 0.814 4.934 4.120 0.000 0.000 0.303 242 V C -3.213 172.891 176.094 0.016 0.000 1.238 242 V CA -2.583 59.582 62.300 -0.226 0.000 1.008 242 V CB 1.877 33.294 31.823 -0.676 0.000 1.064 242 V HN 0.967 nan 8.190 nan 0.000 0.434 243 P HA 0.137 nan 4.420 nan 0.000 0.271 243 P C 0.541 178.049 177.300 0.346 0.000 1.216 243 P CA 0.074 63.328 63.100 0.258 0.000 0.776 243 P CB 0.872 32.729 31.700 0.262 0.000 0.881 244 F N 3.849 123.947 119.950 0.248 0.000 2.063 244 F HA -0.114 4.413 4.527 0.000 0.000 0.298 244 F C 0.945 176.912 175.800 0.278 0.000 1.109 244 F CA 1.150 59.364 58.000 0.356 0.000 1.212 244 F CB -0.414 38.763 39.000 0.295 0.000 0.973 244 F HN 0.363 nan 8.300 nan 0.000 0.480 245 W N 3.563 124.893 121.300 0.050 0.000 2.316 245 W HA 0.255 4.915 4.660 -0.000 0.000 0.311 245 W C -2.192 174.244 176.519 -0.138 0.000 1.217 245 W CA -2.001 55.279 57.345 -0.109 0.000 1.199 245 W CB 0.953 30.402 29.460 -0.020 0.000 1.202 245 W HN 0.006 nan 8.180 nan 0.000 0.528 246 P HA -0.046 nan 4.420 nan 0.000 0.264 246 P C 0.853 177.585 177.300 -0.947 0.000 1.259 246 P CA 0.513 62.598 63.100 -1.692 0.000 0.841 246 P CB 0.336 30.754 31.700 -2.137 0.000 1.232 247 Y N 0.233 120.173 120.300 -0.599 0.000 1.997 247 Y HA -0.255 4.295 4.550 0.000 0.000 0.265 247 Y C 2.273 177.827 175.900 -0.577 0.000 1.193 247 Y CA 1.957 59.708 58.100 -0.583 0.000 1.106 247 Y CB -1.789 36.265 38.460 -0.677 0.000 0.940 247 Y HN -0.124 nan 8.280 nan 0.000 0.494 248 F N -1.534 118.267 119.950 -0.247 0.000 2.179 248 F HA -0.101 4.426 4.527 0.000 0.000 0.292 248 F C 2.382 177.944 175.800 -0.397 0.000 1.089 248 F CA 0.318 58.136 58.000 -0.303 0.000 1.295 248 F CB -0.977 37.874 39.000 -0.248 0.000 1.041 248 F HN -0.056 nan 8.300 nan 0.000 0.487 249 I N 0.330 120.587 120.570 -0.522 0.000 2.227 249 I HA -0.359 3.811 4.170 0.000 0.000 0.250 249 I C 2.348 178.425 176.117 -0.066 0.000 1.087 249 I CA 1.837 62.986 61.300 -0.250 0.000 1.352 249 I CB -0.950 37.007 38.000 -0.072 0.000 1.043 249 I HN 0.189 nan 8.210 nan 0.000 0.425 250 I N 0.701 121.189 120.570 -0.137 0.000 2.235 250 I HA -0.277 3.893 4.170 0.000 0.000 0.241 250 I C 2.596 178.779 176.117 0.109 0.000 1.085 250 I CA 0.986 62.258 61.300 -0.046 0.000 1.378 250 I CB -0.306 37.601 38.000 -0.155 0.000 1.076 250 I HN 0.266 nan 8.210 nan 0.000 0.415 251 K N 0.564 121.047 120.400 0.138 0.000 2.103 251 K HA -0.226 4.094 4.320 0.000 0.000 0.207 251 K C 1.445 178.234 176.600 0.316 0.000 1.048 251 K CA 1.817 58.302 56.287 0.330 0.000 0.930 251 K CB -0.407 32.254 32.500 0.268 0.000 0.716 251 K HN 0.155 nan 8.250 nan 0.000 0.444 252 D N 1.370 121.898 120.400 0.212 0.000 2.103 252 D HA -0.149 4.491 4.640 0.000 0.000 0.190 252 D C 2.133 178.502 176.300 0.116 0.000 0.997 252 D CA 1.584 55.682 54.000 0.163 0.000 0.833 252 D CB -0.380 40.526 40.800 0.175 0.000 0.961 252 D HN 0.073 nan 8.370 nan 0.000 0.447 253 V N 1.146 121.139 119.914 0.132 0.000 2.332 253 V HA -0.249 3.871 4.120 0.000 0.000 0.248 253 V C 2.188 178.366 176.094 0.141 0.000 1.055 253 V CA 1.492 63.863 62.300 0.118 0.000 1.038 253 V CB -0.628 31.272 31.823 0.127 0.000 0.651 253 V HN 0.124 nan 8.190 nan 0.000 0.450 254 F N 1.926 121.912 119.950 0.060 0.000 2.046 254 F HA -0.211 4.316 4.527 0.000 0.000 0.297 254 F C 2.299 178.120 175.800 0.034 0.000 1.123 254 F CA 1.612 59.649 58.000 0.061 0.000 1.199 254 F CB -1.148 37.921 39.000 0.115 0.000 0.972 254 F HN 0.083 nan 8.300 nan 0.000 0.474 255 A N 0.853 123.419 122.820 -0.423 0.000 1.865 255 A HA -0.214 4.106 4.320 0.000 0.000 0.217 255 A C 2.215 179.564 177.584 -0.392 0.000 1.191 255 A CA 1.910 53.589 52.037 -0.597 0.000 0.623 255 A CB -1.568 17.279 19.000 -0.255 0.000 0.826 255 A HN 0.512 nan 8.150 nan 0.000 0.444 256 L N -0.384 120.706 121.223 -0.222 0.000 2.123 256 L HA -0.286 4.054 4.340 0.000 0.000 0.217 256 L C 2.773 179.511 176.870 -0.219 0.000 1.081 256 L CA 2.351 57.059 54.840 -0.221 0.000 0.772 256 L CB -0.697 41.278 42.059 -0.140 0.000 0.890 256 L HN 0.439 nan 8.230 nan 0.000 0.437 257 A N -1.631 121.102 122.820 -0.146 0.000 1.855 257 A HA -0.142 4.178 4.320 0.000 0.000 0.215 257 A C 2.226 179.762 177.584 -0.080 0.000 1.191 257 A CA 1.928 53.925 52.037 -0.067 0.000 0.613 257 A CB -1.068 17.950 19.000 0.030 0.000 0.829 257 A HN 0.255 nan 8.150 nan 0.000 0.442 258 V N 0.061 119.859 119.914 -0.192 0.000 2.324 258 V HA -0.281 3.839 4.120 0.000 0.000 0.250 258 V C 2.559 178.600 176.094 -0.088 0.000 1.060 258 V CA 2.109 64.307 62.300 -0.171 0.000 1.042 258 V CB -1.214 30.387 31.823 -0.370 0.000 0.650 258 V HN 0.369 nan 8.190 nan 0.000 0.450 259 V N -0.022 119.814 119.914 -0.130 0.000 2.233 259 V HA -0.298 3.822 4.120 0.000 0.000 0.247 259 V C 2.368 178.503 176.094 0.068 0.000 1.050 259 V CA 2.327 64.603 62.300 -0.040 0.000 1.010 259 V CB -0.742 31.016 31.823 -0.109 0.000 0.637 259 V HN 0.441 nan 8.190 nan 0.000 0.444 260 L N -0.579 120.666 121.223 0.036 0.000 2.081 260 L HA -0.226 4.114 4.340 0.000 0.000 0.212 260 L C 2.525 179.649 176.870 0.424 0.000 1.080 260 L CA 1.280 56.280 54.840 0.266 0.000 0.754 260 L CB -0.754 41.432 42.059 0.211 0.000 0.893 260 L HN 0.379 nan 8.230 nan 0.000 0.433 261 L N -0.025 121.336 121.223 0.230 0.000 1.971 261 L HA -0.194 4.146 4.340 0.000 0.000 0.215 261 L C 2.438 179.446 176.870 0.230 0.000 1.072 261 L CA 1.950 56.911 54.840 0.202 0.000 0.758 261 L CB -0.700 41.422 42.059 0.104 0.000 0.889 261 L HN -0.047 nan 8.230 nan 0.000 0.433 262 V N -0.416 119.609 119.914 0.186 0.000 2.295 262 V HA -0.295 3.825 4.120 0.000 0.000 0.246 262 V C 2.347 178.579 176.094 0.229 0.000 1.049 262 V CA 1.956 64.363 62.300 0.179 0.000 1.024 262 V CB -1.159 30.753 31.823 0.148 0.000 0.648 262 V HN 0.540 nan 8.190 nan 0.000 0.447 263 F N 1.069 121.071 119.950 0.088 0.000 2.043 263 F HA -0.238 4.289 4.527 0.000 0.000 0.297 263 F C 2.107 177.898 175.800 -0.016 0.000 1.121 263 F CA 1.634 59.644 58.000 0.015 0.000 1.199 263 F CB -0.861 38.099 39.000 -0.067 0.000 0.968 263 F HN 0.138 nan 8.300 nan 0.000 0.478 264 F N 0.609 120.470 119.950 -0.149 0.000 2.161 264 F HA -0.150 4.377 4.527 0.000 0.000 0.300 264 F C 2.624 178.327 175.800 -0.163 0.000 1.089 264 F CA 1.473 59.313 58.000 -0.267 0.000 1.282 264 F CB -1.379 37.573 39.000 -0.079 0.000 1.010 264 F HN 0.122 nan 8.300 nan 0.000 0.485 265 A N 0.521 123.449 122.820 0.179 0.000 1.917 265 A HA -0.213 4.107 4.320 0.000 0.000 0.219 265 A C 2.254 179.946 177.584 0.180 0.000 1.182 265 A CA 1.923 54.113 52.037 0.255 0.000 0.633 265 A CB -0.864 18.281 19.000 0.243 0.000 0.819 265 A HN 0.296 nan 8.150 nan 0.000 0.448 266 I N -0.060 120.540 120.570 0.050 0.000 2.133 266 I HA -0.166 4.004 4.170 0.000 0.000 0.238 266 I C 2.481 178.536 176.117 -0.103 0.000 1.074 266 I CA 1.376 62.682 61.300 0.011 0.000 1.342 266 I CB -1.538 36.487 38.000 0.040 0.000 1.053 266 I HN 0.174 nan 8.210 nan 0.000 0.404 267 V N 1.394 121.143 119.914 -0.275 0.000 2.594 267 V HA -0.156 3.964 4.120 0.000 0.000 0.253 267 V C 2.557 178.523 176.094 -0.213 0.000 1.069 267 V CA 1.854 63.970 62.300 -0.307 0.000 1.082 267 V CB -1.578 29.909 31.823 -0.560 0.000 0.680 267 V HN 0.536 nan 8.190 nan 0.000 0.469 268 G N -0.761 107.887 108.800 -0.253 0.000 2.417 268 G HA2 -0.066 3.894 3.960 0.000 0.000 0.212 268 G HA3 -0.066 3.894 3.960 0.000 0.000 0.212 268 G C 1.267 175.817 174.900 -0.583 0.000 1.187 268 G CA 0.506 45.336 45.100 -0.450 0.000 0.804 268 G HN 0.477 nan 8.290 nan 0.000 0.534 269 F N 0.422 120.362 119.950 -0.016 0.000 2.582 269 F HA 0.383 4.910 4.527 0.000 0.000 0.290 269 F C 1.600 177.369 175.800 -0.052 0.000 1.115 269 F CA 0.284 58.267 58.000 -0.028 0.000 1.445 269 F CB 0.207 39.193 39.000 -0.024 0.000 1.126 269 F HN 0.060 nan 8.300 nan 0.000 0.574 270 M N -0.367 119.271 119.600 0.063 0.000 3.269 270 M HA 0.382 4.862 4.480 0.000 0.000 0.340 270 M C -2.500 173.792 176.300 -0.013 0.000 1.662 270 M CA -1.286 54.030 55.300 0.027 0.000 0.547 270 M CB 1.022 33.634 32.600 0.019 0.000 1.449 270 M HN -0.284 nan 8.290 nan 0.000 0.459 271 P HA -0.117 nan 4.420 nan 0.000 0.218 271 P C 0.354 177.560 177.300 -0.157 0.000 1.149 271 P CA 1.449 64.341 63.100 -0.346 0.000 0.817 271 P CB 0.032 31.079 31.700 -1.088 0.000 0.785 272 N N -1.524 117.140 118.700 -0.060 0.000 2.383 272 N HA -0.051 4.690 4.740 0.000 0.000 0.192 272 N C 1.486 177.103 175.510 0.177 0.000 1.141 272 N CA -0.042 53.087 53.050 0.131 0.000 0.851 272 N CB -0.530 38.088 38.487 0.218 0.000 0.976 272 N HN 0.175 nan 8.380 nan 0.000 0.465 273 Y N 1.861 122.181 120.300 0.034 0.000 2.089 273 Y HA -0.035 4.515 4.550 0.000 0.000 0.282 273 Y C 1.839 177.765 175.900 0.045 0.000 1.139 273 Y CA 1.363 59.482 58.100 0.031 0.000 1.123 273 Y CB -0.466 38.002 38.460 0.013 0.000 0.980 273 Y HN -0.048 nan 8.280 nan 0.000 0.493 274 L N 0.413 121.616 121.223 -0.034 0.000 2.700 274 L HA 0.055 4.395 4.340 0.000 0.000 0.240 274 L C 1.008 177.900 176.870 0.037 0.000 1.162 274 L CA 0.393 55.186 54.840 -0.079 0.000 0.874 274 L CB -1.205 40.938 42.059 0.141 0.000 1.001 274 L HN 0.291 nan 8.230 nan 0.000 0.447 275 G N -2.514 106.312 108.800 0.043 0.000 2.600 275 G HA2 0.289 4.249 3.960 0.000 0.000 0.303 275 G HA3 0.289 4.249 3.960 0.000 0.000 0.303 275 G C -1.440 173.520 174.900 0.101 0.000 1.253 275 G CA -0.440 44.723 45.100 0.104 0.000 0.974 275 G HN -0.030 nan 8.290 nan 0.000 0.483 276 H N 1.069 120.195 119.070 0.093 0.000 2.705 276 H HA 0.282 4.838 4.556 0.000 0.000 0.291 276 H C -1.557 173.842 175.328 0.118 0.000 1.085 276 H CA -1.906 54.200 56.048 0.097 0.000 1.357 276 H CB 1.958 31.789 29.762 0.116 0.000 1.419 276 H HN 0.063 nan 8.280 nan 0.000 0.462 277 P HA -0.146 nan 4.420 nan 0.000 0.219 277 P C 0.630 178.188 177.300 0.430 0.000 1.144 277 P CA 1.177 64.494 63.100 0.361 0.000 0.806 277 P CB 0.427 32.249 31.700 0.203 0.000 0.771 278 D N -2.244 118.512 120.400 0.594 0.000 2.347 278 D HA -0.063 4.577 4.640 0.000 0.000 0.215 278 D C 1.330 177.703 176.300 0.122 0.000 0.976 278 D CA 0.643 54.812 54.000 0.282 0.000 0.884 278 D CB -0.760 40.100 40.800 0.101 0.000 0.915 278 D HN 0.044 nan 8.370 nan 0.000 0.526 279 N N -0.656 118.102 118.700 0.097 0.000 2.383 279 N HA -0.050 4.690 4.740 0.000 0.000 0.192 279 N C -0.125 175.403 175.510 0.030 0.000 1.141 279 N CA 0.195 53.221 53.050 -0.040 0.000 0.851 279 N CB -0.003 38.404 38.487 -0.133 0.000 0.976 279 N HN 0.153 nan 8.380 nan 0.000 0.465 280 Y N -0.361 120.079 120.300 0.232 0.000 2.571 280 Y HA 0.340 4.890 4.550 0.000 0.000 0.275 280 Y C 0.056 176.110 175.900 0.256 0.000 1.179 280 Y CA -0.373 57.928 58.100 0.336 0.000 1.242 280 Y CB 0.401 39.020 38.460 0.266 0.000 1.126 280 Y HN -0.058 nan 8.280 nan 0.000 0.524 281 I N 0.748 121.420 120.570 0.171 0.000 2.404 281 I HA 0.175 4.345 4.170 0.000 0.000 0.293 281 I C 0.182 176.093 176.117 -0.344 0.000 0.992 281 I CA -1.084 60.211 61.300 -0.008 0.000 1.149 281 I CB 1.447 39.458 38.000 0.019 0.000 1.315 281 I HN 0.099 nan 8.210 nan 0.000 0.446 282 E N 3.318 123.212 120.200 -0.510 0.000 2.413 282 E HA 0.229 4.579 4.350 0.000 0.000 0.263 282 E C 0.253 176.573 176.600 -0.467 0.000 1.015 282 E CA -0.268 55.672 56.400 -0.766 0.000 0.916 282 E CB 0.757 30.172 29.700 -0.475 0.000 0.947 282 E HN 0.699 nan 8.360 nan 0.000 0.440 283 A N 3.753 126.248 122.820 -0.542 0.000 2.565 283 A HA -0.028 4.292 4.320 0.000 0.000 0.237 283 A C 0.106 177.365 177.584 -0.542 0.000 1.053 283 A CA 0.112 51.768 52.037 -0.635 0.000 0.755 283 A CB 0.081 18.397 19.000 -1.140 0.000 0.980 283 A HN 0.536 nan 8.150 nan 0.000 0.506 284 N N 2.760 121.189 118.700 -0.452 0.000 2.491 284 N HA 0.400 5.140 4.740 0.000 0.000 0.274 284 N C -2.566 172.775 175.510 -0.281 0.000 1.023 284 N CA -2.091 50.794 53.050 -0.275 0.000 0.902 284 N CB 2.015 40.476 38.487 -0.043 0.000 1.267 284 N HN 0.127 nan 8.380 nan 0.000 0.503 285 P HA 0.092 nan 4.420 nan 0.000 0.234 285 P C 0.540 177.996 177.300 0.260 0.000 1.167 285 P CA 0.839 63.806 63.100 -0.222 0.000 0.763 285 P CB 0.383 31.923 31.700 -0.267 0.000 0.835 286 L N -1.565 119.787 121.223 0.216 0.000 2.965 286 L HA 0.321 4.661 4.340 0.000 0.000 0.254 286 L C 0.325 177.333 176.870 0.231 0.000 1.220 286 L CA 0.022 54.998 54.840 0.227 0.000 1.023 286 L CB 0.154 42.276 42.059 0.105 0.000 1.355 286 L HN -0.160 nan 8.230 nan 0.000 0.545 287 R N -0.602 120.126 120.500 0.381 0.000 2.560 287 R HA 0.316 4.656 4.340 0.000 0.000 0.267 287 R C -1.074 175.271 176.300 0.075 0.000 1.150 287 R CA -0.284 55.909 56.100 0.155 0.000 0.997 287 R CB 2.225 32.578 30.300 0.089 0.000 1.250 287 R HN -0.188 nan 8.270 nan 0.000 0.433 288 T N 4.280 118.576 114.554 -0.430 0.000 2.749 288 T HA 0.327 4.677 4.350 0.000 0.000 0.287 288 T C -2.348 172.115 174.700 -0.395 0.000 0.970 288 T CA -1.494 60.068 62.100 -0.897 0.000 0.980 288 T CB 1.377 69.505 68.868 -1.234 0.000 0.924 288 T HN 0.204 nan 8.240 nan 0.000 0.456 289 P HA 0.160 nan 4.420 nan 0.000 0.264 289 P C 0.515 177.700 177.300 -0.192 0.000 1.183 289 P CA -0.174 62.845 63.100 -0.135 0.000 0.763 289 P CB 0.449 32.122 31.700 -0.046 0.000 0.807 290 A N 3.130 125.802 122.820 -0.247 0.000 2.070 290 A HA -0.176 4.144 4.320 0.000 0.000 0.220 290 A C 1.015 178.378 177.584 -0.369 0.000 1.159 290 A CA 1.384 53.207 52.037 -0.356 0.000 0.656 290 A CB -0.806 17.899 19.000 -0.491 0.000 0.800 290 A HN 0.599 nan 8.150 nan 0.000 0.453 291 H N -1.155 117.927 119.070 0.020 0.000 2.469 291 H HA 0.272 4.828 4.556 0.000 0.000 0.286 291 H C 0.131 175.532 175.328 0.121 0.000 1.106 291 H CA -0.957 55.133 56.048 0.071 0.000 1.055 291 H CB -0.423 29.404 29.762 0.107 0.000 1.618 291 H HN 0.506 nan 8.280 nan 0.000 0.559 292 I N 2.054 122.662 120.570 0.063 0.000 2.742 292 I HA -0.033 4.137 4.170 0.000 0.000 0.287 292 I C -0.762 175.351 176.117 -0.007 0.000 1.186 292 I CA 0.466 61.746 61.300 -0.034 0.000 1.417 292 I CB -0.012 37.931 38.000 -0.095 0.000 1.377 292 I HN -0.195 nan 8.210 nan 0.000 0.556 293 V N 7.538 127.448 119.914 -0.007 0.000 2.888 293 V HA 0.470 4.590 4.120 0.000 0.000 0.309 293 V C -2.196 173.803 176.094 -0.160 0.000 1.114 293 V CA -1.258 60.983 62.300 -0.097 0.000 0.940 293 V CB 1.713 33.546 31.823 0.017 0.000 1.021 293 V HN 0.681 nan 8.190 nan 0.000 0.426 294 P HA 0.349 nan 4.420 nan 0.000 0.277 294 P C -0.874 176.239 177.300 -0.311 0.000 1.276 294 P CA -0.610 62.309 63.100 -0.302 0.000 0.788 294 P CB 0.455 31.916 31.700 -0.398 0.000 1.114 295 E N 0.691 120.596 120.200 -0.492 0.000 2.324 295 E HA -0.033 4.317 4.350 0.000 0.000 0.271 295 E C 1.077 177.134 176.600 -0.904 0.000 1.028 295 E CA -0.224 55.642 56.400 -0.890 0.000 0.890 295 E CB -0.195 28.510 29.700 -1.658 0.000 1.004 295 E HN 0.528 nan 8.360 nan 0.000 0.431 296 W N 4.703 125.684 121.300 -0.532 0.000 2.255 296 W HA -0.397 4.263 4.660 0.000 0.000 0.318 296 W C 0.829 177.199 176.519 -0.248 0.000 1.277 296 W CA 1.609 58.764 57.345 -0.317 0.000 1.286 296 W CB -1.080 28.265 29.460 -0.192 0.000 1.132 296 W HN 0.760 nan 8.180 nan 0.000 0.504 297 Y N -2.288 116.971 120.300 -1.734 0.000 2.680 297 Y HA 0.119 4.669 4.550 0.000 0.000 0.303 297 Y C 1.469 176.990 175.900 -0.631 0.000 1.166 297 Y CA -0.026 57.145 58.100 -1.548 0.000 1.344 297 Y CB -1.782 35.391 38.460 -2.146 0.000 1.002 297 Y HN -0.164 nan 8.280 nan 0.000 0.537 298 F N -0.653 119.017 119.950 -0.467 0.000 2.680 298 F HA 0.215 4.742 4.527 0.000 0.000 0.290 298 F C 1.896 177.622 175.800 -0.123 0.000 1.114 298 F CA -1.011 56.867 58.000 -0.204 0.000 1.333 298 F CB -0.708 38.117 39.000 -0.292 0.000 1.091 298 F HN 0.067 nan 8.300 nan 0.000 0.606 299 L N 1.605 122.824 121.223 -0.006 0.000 2.026 299 L HA -0.296 4.044 4.340 0.000 0.000 0.231 299 L C -0.094 176.733 176.870 -0.072 0.000 1.095 299 L CA 2.426 57.256 54.840 -0.017 0.000 0.810 299 L CB -2.287 39.741 42.059 -0.053 0.000 0.909 299 L HN 0.062 nan 8.230 nan 0.000 0.444 300 P HA -0.238 nan 4.420 nan 0.000 0.214 300 P C 1.637 178.620 177.300 -0.527 0.000 1.163 300 P CA 1.977 64.737 63.100 -0.568 0.000 0.889 300 P CB -0.262 30.790 31.700 -1.080 0.000 0.790 301 F N -1.688 118.125 119.950 -0.229 0.000 2.269 301 F HA -0.136 4.391 4.527 0.000 0.000 0.301 301 F C 2.754 178.447 175.800 -0.179 0.000 1.082 301 F CA 0.994 58.853 58.000 -0.235 0.000 1.360 301 F CB -1.626 37.234 39.000 -0.232 0.000 1.041 301 F HN -0.072 nan 8.300 nan 0.000 0.512 302 Y N 0.825 121.057 120.300 -0.112 0.000 2.184 302 Y HA -0.073 4.477 4.550 0.000 0.000 0.290 302 Y C 2.330 178.137 175.900 -0.155 0.000 1.129 302 Y CA 0.871 58.889 58.100 -0.138 0.000 1.144 302 Y CB -0.890 37.496 38.460 -0.124 0.000 0.995 302 Y HN -0.038 nan 8.280 nan 0.000 0.513 303 A N 1.351 124.032 122.820 -0.233 0.000 1.859 303 A HA -0.260 4.060 4.320 0.000 0.000 0.218 303 A C 2.365 179.739 177.584 -0.350 0.000 1.209 303 A CA 2.516 54.344 52.037 -0.349 0.000 0.639 303 A CB -1.411 17.441 19.000 -0.247 0.000 0.835 303 A HN 0.589 nan 8.150 nan 0.000 0.450 304 I N -0.760 119.653 120.570 -0.261 0.000 2.087 304 I HA -0.335 3.835 4.170 0.000 0.000 0.240 304 I C 2.583 178.624 176.117 -0.126 0.000 1.054 304 I CA 2.044 63.244 61.300 -0.166 0.000 1.311 304 I CB -0.451 37.513 38.000 -0.060 0.000 1.024 304 I HN 0.507 nan 8.210 nan 0.000 0.402 305 L N 1.425 122.582 121.223 -0.111 0.000 2.043 305 L HA -0.253 4.087 4.340 0.000 0.000 0.212 305 L C 2.749 179.544 176.870 -0.124 0.000 1.075 305 L CA 1.907 56.709 54.840 -0.063 0.000 0.752 305 L CB -0.332 41.654 42.059 -0.121 0.000 0.891 305 L HN 0.264 nan 8.230 nan 0.000 0.432 306 R N -0.876 119.424 120.500 -0.333 0.000 2.310 306 R HA 0.175 4.515 4.340 0.000 0.000 0.202 306 R C 1.872 177.977 176.300 -0.325 0.000 0.933 306 R CA 0.695 56.597 56.100 -0.331 0.000 1.054 306 R CB -0.451 29.546 30.300 -0.504 0.000 0.985 306 R HN 0.314 nan 8.270 nan 0.000 0.489 307 A N 1.719 124.271 122.820 -0.447 0.000 1.902 307 A HA -0.012 4.308 4.320 0.000 0.000 0.217 307 A C 0.335 177.571 177.584 -0.580 0.000 1.181 307 A CA 0.544 52.222 52.037 -0.597 0.000 0.623 307 A CB -0.436 18.039 19.000 -0.875 0.000 0.818 307 A HN 0.299 nan 8.150 nan 0.000 0.443 308 F N 2.138 122.047 119.950 -0.068 0.000 2.494 308 F HA 0.311 4.838 4.527 0.000 0.000 0.351 308 F C 1.205 176.957 175.800 -0.079 0.000 1.205 308 F CA 0.043 58.009 58.000 -0.057 0.000 1.125 308 F CB -0.396 38.690 39.000 0.143 0.000 1.268 308 F HN 0.146 nan 8.300 nan 0.000 0.593 309 T N -1.339 113.213 114.554 -0.004 0.000 2.936 309 T HA 0.612 4.962 4.350 0.000 0.000 0.282 309 T C 1.199 175.885 174.700 -0.024 0.000 1.003 309 T CA -0.497 61.588 62.100 -0.024 0.000 1.005 309 T CB 1.716 70.543 68.868 -0.068 0.000 1.097 309 T HN 0.465 nan 8.240 nan 0.000 0.532 310 A N -0.083 122.728 122.820 -0.014 0.000 2.259 310 A HA 0.063 4.383 4.320 0.000 0.000 0.212 310 A C 1.002 178.579 177.584 -0.011 0.000 1.178 310 A CA 1.074 53.103 52.037 -0.013 0.000 0.734 310 A CB -0.978 18.024 19.000 0.003 0.000 0.774 310 A HN 0.876 nan 8.150 nan 0.000 0.481 311 D N -1.301 119.089 120.400 -0.017 0.000 2.395 311 D HA 0.245 4.885 4.640 0.000 0.000 0.213 311 D C -0.261 176.051 176.300 0.020 0.000 1.110 311 D CA -0.084 53.925 54.000 0.014 0.000 0.835 311 D CB 0.588 41.389 40.800 0.002 0.000 0.965 311 D HN 0.120 nan 8.370 nan 0.000 0.505 312 V N 1.860 121.752 119.914 -0.037 0.000 2.432 312 V HA -0.010 4.110 4.120 0.000 0.000 0.271 312 V C 0.658 176.785 176.094 0.054 0.000 1.046 312 V CA -0.682 61.576 62.300 -0.071 0.000 0.945 312 V CB 0.754 32.530 31.823 -0.079 0.000 0.992 312 V HN 0.218 nan 8.190 nan 0.000 0.471 313 W N 3.581 124.825 121.300 -0.094 0.000 2.290 313 W HA -0.213 4.447 4.660 0.000 0.000 0.328 313 W C 2.190 178.649 176.519 -0.100 0.000 1.272 313 W CA 1.517 58.818 57.345 -0.073 0.000 1.262 313 W CB -1.284 28.159 29.460 -0.028 0.000 1.151 313 W HN 0.399 nan 8.180 nan 0.000 0.473 314 V N -0.156 119.823 119.914 0.109 0.000 2.282 314 V HA -0.334 3.786 4.120 0.000 0.000 0.249 314 V C 2.292 178.244 176.094 -0.236 0.000 1.057 314 V CA 2.005 64.289 62.300 -0.027 0.000 1.032 314 V CB -1.368 30.431 31.823 -0.039 0.000 0.645 314 V HN 0.031 nan 8.190 nan 0.000 0.447 315 V N -0.231 119.413 119.914 -0.450 0.000 2.250 315 V HA -0.392 3.728 4.120 0.000 0.000 0.250 315 V C 2.530 178.468 176.094 -0.260 0.000 1.060 315 V CA 2.608 64.506 62.300 -0.670 0.000 1.030 315 V CB -0.683 30.834 31.823 -0.510 0.000 0.643 315 V HN 0.679 nan 8.190 nan 0.000 0.445 316 Q N -0.666 119.072 119.800 -0.103 0.000 2.014 316 Q HA -0.228 4.112 4.340 0.000 0.000 0.207 316 Q C 2.244 178.261 176.000 0.027 0.000 0.993 316 Q CA 2.253 58.046 55.803 -0.017 0.000 0.850 316 Q CB -0.421 28.320 28.738 0.005 0.000 0.916 316 Q HN 0.568 nan 8.270 nan 0.000 0.417 317 I N 1.263 121.849 120.570 0.025 0.000 2.091 317 I HA -0.381 3.789 4.170 0.000 0.000 0.240 317 I C 2.621 178.810 176.117 0.121 0.000 1.046 317 I CA 1.387 62.733 61.300 0.077 0.000 1.306 317 I CB -0.810 37.228 38.000 0.062 0.000 1.018 317 I HN 0.244 nan 8.210 nan 0.000 0.404 318 A N 0.988 123.840 122.820 0.054 0.000 1.884 318 A HA -0.361 3.959 4.320 0.000 0.000 0.219 318 A C 2.050 179.697 177.584 0.105 0.000 1.197 318 A CA 2.814 54.899 52.037 0.081 0.000 0.637 318 A CB -1.366 17.668 19.000 0.056 0.000 0.827 318 A HN 0.617 nan 8.150 nan 0.000 0.450 319 N N -1.548 117.198 118.700 0.077 0.000 2.036 319 N HA -0.226 4.514 4.740 0.000 0.000 0.195 319 N C 1.534 177.119 175.510 0.126 0.000 1.037 319 N CA 2.130 55.242 53.050 0.103 0.000 0.855 319 N CB -0.378 38.157 38.487 0.079 0.000 1.033 319 N HN 0.421 nan 8.380 nan 0.000 0.423 320 F N 1.423 121.365 119.950 -0.014 0.000 2.025 320 F HA -0.143 4.384 4.527 0.000 0.000 0.297 320 F C 1.989 177.752 175.800 -0.061 0.000 1.132 320 F CA 1.706 59.671 58.000 -0.058 0.000 1.191 320 F CB -0.689 38.266 39.000 -0.074 0.000 0.963 320 F HN 0.124 nan 8.300 nan 0.000 0.481 321 I N 0.380 120.903 120.570 -0.078 0.000 2.236 321 I HA -0.341 3.829 4.170 0.000 0.000 0.249 321 I C 2.132 178.276 176.117 0.044 0.000 1.102 321 I CA 1.775 63.006 61.300 -0.115 0.000 1.365 321 I CB -1.026 37.018 38.000 0.073 0.000 1.051 321 I HN 0.362 nan 8.210 nan 0.000 0.420 322 S N -0.329 115.441 115.700 0.117 0.000 2.634 322 S HA 0.079 4.549 4.470 0.000 0.000 0.221 322 S C 0.679 175.496 174.600 0.361 0.000 0.952 322 S CA -0.474 57.860 58.200 0.224 0.000 0.930 322 S CB -0.575 62.719 63.200 0.157 0.000 0.780 322 S HN 0.386 nan 8.310 nan 0.000 0.498 323 F N 1.203 121.066 119.950 -0.146 0.000 3.091 323 F HA -0.151 4.376 4.527 0.000 0.000 0.288 323 F C 1.581 177.352 175.800 -0.050 0.000 0.907 323 F CA 0.585 58.508 58.000 -0.129 0.000 1.028 323 F CB -2.022 36.914 39.000 -0.106 0.000 1.022 323 F HN 0.546 nan 8.300 nan 0.000 0.665 324 G N -0.752 108.125 108.800 0.128 0.000 2.304 324 G HA2 -0.410 3.550 3.960 0.000 0.000 0.252 324 G HA3 -0.410 3.550 3.960 0.000 0.000 0.252 324 G C 1.229 176.195 174.900 0.110 0.000 1.014 324 G CA 0.261 45.425 45.100 0.107 0.000 0.619 324 G HN 0.536 nan 8.290 nan 0.000 0.525 325 I N 0.913 121.552 120.570 0.116 0.000 2.185 325 I HA -0.134 4.036 4.170 0.000 0.000 0.246 325 I C 1.474 177.683 176.117 0.153 0.000 1.088 325 I CA 1.517 62.869 61.300 0.088 0.000 1.347 325 I CB -0.142 37.899 38.000 0.067 0.000 1.041 325 I HN 0.260 nan 8.210 nan 0.000 0.415 326 I N 1.677 122.375 120.570 0.214 0.000 2.318 326 I HA 0.048 4.218 4.170 0.000 0.000 0.285 326 I C -0.035 176.234 176.117 0.254 0.000 1.127 326 I CA -0.721 60.775 61.300 0.327 0.000 1.243 326 I CB -0.404 37.768 38.000 0.286 0.000 1.498 326 I HN 0.185 nan 8.210 nan 0.000 0.535 327 D N 3.385 123.920 120.400 0.225 0.000 2.398 327 D HA 0.222 4.862 4.640 0.000 0.000 0.264 327 D C 1.436 177.841 176.300 0.175 0.000 1.263 327 D CA -0.258 53.834 54.000 0.154 0.000 1.037 327 D CB 0.744 41.612 40.800 0.114 0.000 1.101 327 D HN 0.225 nan 8.370 nan 0.000 0.551 328 A N -0.247 122.635 122.820 0.104 0.000 1.849 328 A HA -0.277 4.043 4.320 0.000 0.000 0.217 328 A C 1.995 179.690 177.584 0.186 0.000 1.202 328 A CA 2.770 54.871 52.037 0.106 0.000 0.629 328 A CB -1.172 17.861 19.000 0.055 0.000 0.834 328 A HN 0.728 nan 8.150 nan 0.000 0.447 329 K N -1.602 118.889 120.400 0.152 0.000 2.030 329 K HA -0.262 4.058 4.320 0.000 0.000 0.222 329 K C 1.791 178.520 176.600 0.215 0.000 1.056 329 K CA 2.362 58.742 56.287 0.154 0.000 0.957 329 K CB -0.514 32.062 32.500 0.126 0.000 0.727 329 K HN 0.355 nan 8.250 nan 0.000 0.452 330 F N 0.716 120.711 119.950 0.075 0.000 2.269 330 F HA -0.124 4.403 4.527 0.000 0.000 0.301 330 F C 1.829 177.661 175.800 0.053 0.000 1.082 330 F CA 0.983 59.014 58.000 0.052 0.000 1.360 330 F CB -0.539 38.487 39.000 0.042 0.000 1.041 330 F HN 0.174 nan 8.300 nan 0.000 0.512 331 F N 0.559 120.437 119.950 -0.120 0.000 2.084 331 F HA 0.018 4.545 4.527 0.000 0.000 0.296 331 F C 2.502 178.149 175.800 -0.255 0.000 1.111 331 F CA 1.916 59.748 58.000 -0.280 0.000 1.224 331 F CB -1.097 37.784 39.000 -0.198 0.000 0.991 331 F HN -0.041 nan 8.300 nan 0.000 0.471 332 G N 0.143 109.044 108.800 0.169 0.000 2.476 332 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 332 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 332 G C 1.754 176.633 174.900 -0.034 0.000 1.164 332 G CA 1.438 46.637 45.100 0.166 0.000 0.768 332 G HN 0.358 nan 8.290 nan 0.000 0.560 333 V N 0.941 120.814 119.914 -0.069 0.000 2.233 333 V HA -0.174 3.946 4.120 0.000 0.000 0.247 333 V C 2.954 178.957 176.094 -0.152 0.000 1.050 333 V CA 1.817 64.062 62.300 -0.091 0.000 1.010 333 V CB -0.599 31.256 31.823 0.053 0.000 0.637 333 V HN 0.363 nan 8.190 nan 0.000 0.444 334 L N 0.090 121.088 121.223 -0.375 0.000 2.043 334 L HA -0.234 4.106 4.340 0.000 0.000 0.212 334 L C 2.741 179.417 176.870 -0.323 0.000 1.075 334 L CA 1.765 56.346 54.840 -0.432 0.000 0.752 334 L CB -0.872 40.717 42.059 -0.785 0.000 0.891 334 L HN 0.381 nan 8.230 nan 0.000 0.432 335 A N -0.535 122.014 122.820 -0.451 0.000 1.892 335 A HA -0.306 4.014 4.320 0.000 0.000 0.218 335 A C 2.318 179.959 177.584 0.095 0.000 1.188 335 A CA 2.302 54.178 52.037 -0.270 0.000 0.631 335 A CB -0.546 18.328 19.000 -0.210 0.000 0.822 335 A HN 0.433 nan 8.150 nan 0.000 0.447 336 M N -1.757 117.827 119.600 -0.027 0.000 2.074 336 M HA -0.079 4.401 4.480 0.000 0.000 0.259 336 M C 1.964 178.204 176.300 -0.100 0.000 1.079 336 M CA 2.017 57.267 55.300 -0.084 0.000 1.119 336 M CB -0.292 32.113 32.600 -0.325 0.000 1.297 336 M HN 0.358 nan 8.290 nan 0.000 0.416 337 F N 0.442 120.355 119.950 -0.061 0.000 2.192 337 F HA -0.141 4.386 4.527 0.000 0.000 0.301 337 F C 2.446 178.245 175.800 -0.001 0.000 1.079 337 F CA 1.567 59.521 58.000 -0.077 0.000 1.303 337 F CB -1.588 37.342 39.000 -0.116 0.000 1.024 337 F HN 0.325 nan 8.300 nan 0.000 0.494 338 G N -0.537 108.379 108.800 0.194 0.000 2.421 338 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 338 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 338 G C 1.949 177.031 174.900 0.304 0.000 1.171 338 G CA 0.861 46.099 45.100 0.231 0.000 0.775 338 G HN 0.463 nan 8.290 nan 0.000 0.543 339 A N 0.511 123.531 122.820 0.333 0.000 1.997 339 A HA -0.064 4.256 4.320 0.000 0.000 0.221 339 A C 2.385 180.122 177.584 0.255 0.000 1.172 339 A CA 1.582 53.676 52.037 0.096 0.000 0.645 339 A CB -0.328 18.637 19.000 -0.058 0.000 0.813 339 A HN 0.441 nan 8.150 nan 0.000 0.454 340 I N -1.414 119.290 120.570 0.223 0.000 2.296 340 I HA -0.113 4.057 4.170 0.000 0.000 0.242 340 I C 2.322 178.514 176.117 0.124 0.000 1.087 340 I CA 0.804 62.220 61.300 0.195 0.000 1.393 340 I CB -0.345 37.696 38.000 0.069 0.000 1.093 340 I HN 0.387 nan 8.210 nan 0.000 0.421 341 L N 1.607 122.905 121.223 0.124 0.000 2.021 341 L HA -0.198 4.142 4.340 0.000 0.000 0.215 341 L C 2.583 179.492 176.870 0.066 0.000 1.074 341 L CA 2.310 57.210 54.840 0.100 0.000 0.760 341 L CB -0.896 41.222 42.059 0.098 0.000 0.889 341 L HN 0.277 nan 8.230 nan 0.000 0.433 342 V N -2.028 117.898 119.914 0.020 0.000 2.332 342 V HA -0.352 3.768 4.120 0.000 0.000 0.248 342 V C 2.509 178.463 176.094 -0.234 0.000 1.055 342 V CA 2.313 64.569 62.300 -0.073 0.000 1.038 342 V CB -1.136 30.610 31.823 -0.128 0.000 0.651 342 V HN 0.662 nan 8.190 nan 0.000 0.450 343 M N 0.903 120.249 119.600 -0.423 0.000 2.202 343 M HA -0.089 4.391 4.480 0.000 0.000 0.262 343 M C 2.140 178.536 176.300 0.159 0.000 1.063 343 M CA 2.202 57.265 55.300 -0.394 0.000 1.097 343 M CB -0.376 32.109 32.600 -0.192 0.000 1.382 343 M HN 0.520 nan 8.290 nan 0.000 0.413 344 A N 0.076 123.024 122.820 0.214 0.000 1.968 344 A HA -0.012 4.308 4.320 0.000 0.000 0.217 344 A C 1.824 179.705 177.584 0.494 0.000 1.169 344 A CA 1.010 53.298 52.037 0.419 0.000 0.638 344 A CB -0.702 18.446 19.000 0.247 0.000 0.812 344 A HN 0.591 nan 8.150 nan 0.000 0.446 345 L N -0.494 120.929 121.223 0.333 0.000 2.599 345 L HA 0.023 4.363 4.340 0.000 0.000 0.230 345 L C 2.123 179.209 176.870 0.359 0.000 1.141 345 L CA 0.061 55.180 54.840 0.465 0.000 0.877 345 L CB -0.255 41.959 42.059 0.259 0.000 1.009 345 L HN 0.254 nan 8.230 nan 0.000 0.447 346 V N 1.989 121.952 119.914 0.082 0.000 2.527 346 V HA -0.202 3.918 4.120 0.000 0.000 0.255 346 V C -0.374 175.492 176.094 -0.380 0.000 1.081 346 V CA 2.017 64.201 62.300 -0.194 0.000 1.092 346 V CB -0.561 30.959 31.823 -0.506 0.000 0.673 346 V HN 0.331 nan 8.190 nan 0.000 0.470 347 P HA -0.082 nan 4.420 nan 0.000 0.223 347 P C 1.129 178.067 177.300 -0.604 0.000 1.151 347 P CA 1.432 64.167 63.100 -0.608 0.000 0.787 347 P CB -0.092 30.893 31.700 -1.191 0.000 0.788 348 W N -1.878 119.420 121.300 -0.003 0.000 3.013 348 W HA 0.297 4.957 4.660 0.000 0.000 0.280 348 W C 1.347 177.862 176.519 -0.007 0.000 1.249 348 W CA 0.125 57.475 57.345 0.007 0.000 1.577 348 W CB -0.185 29.285 29.460 0.016 0.000 1.057 348 W HN -0.059 nan 8.180 nan 0.000 0.613 349 L N -0.252 121.060 121.223 0.148 0.000 2.375 349 L HA 0.071 4.411 4.340 0.000 0.000 0.215 349 L C 0.604 177.466 176.870 -0.012 0.000 1.108 349 L CA 0.789 55.669 54.840 0.065 0.000 0.830 349 L CB -0.417 41.674 42.059 0.053 0.000 0.959 349 L HN -0.296 nan 8.230 nan 0.000 0.457 350 D N 0.920 121.307 120.400 -0.023 0.000 2.365 350 D HA 0.038 4.678 4.640 0.000 0.000 0.237 350 D C 1.122 177.417 176.300 -0.008 0.000 1.190 350 D CA 0.076 54.068 54.000 -0.014 0.000 0.867 350 D CB 1.509 42.359 40.800 0.084 0.000 1.050 350 D HN 0.103 nan 8.370 nan 0.000 0.491 351 T N 0.054 114.601 114.554 -0.012 0.000 3.067 351 T HA 0.010 4.360 4.350 0.000 0.000 0.257 351 T C 1.212 175.901 174.700 -0.018 0.000 1.105 351 T CA -0.291 61.804 62.100 -0.007 0.000 1.104 351 T CB 0.061 68.929 68.868 0.000 0.000 0.925 351 T HN 0.236 nan 8.240 nan 0.000 0.498 352 S N 3.469 119.156 115.700 -0.021 0.000 2.552 352 S HA 0.158 4.628 4.470 0.000 0.000 0.289 352 S C -1.258 173.305 174.600 -0.063 0.000 1.304 352 S CA -1.063 57.117 58.200 -0.034 0.000 1.063 352 S CB 0.792 63.970 63.200 -0.037 0.000 0.848 352 S HN 0.264 nan 8.310 nan 0.000 0.499 353 P HA 0.169 nan 4.420 nan 0.000 0.261 353 P C -0.439 176.813 177.300 -0.080 0.000 1.268 353 P CA -0.015 63.046 63.100 -0.065 0.000 0.833 353 P CB 0.114 31.788 31.700 -0.042 0.000 1.231 354 V N 1.977 121.836 119.914 -0.090 0.000 2.408 354 V HA 0.198 4.318 4.120 0.000 0.000 0.267 354 V C 2.113 178.109 176.094 -0.163 0.000 1.047 354 V CA -0.170 62.075 62.300 -0.093 0.000 0.937 354 V CB 0.998 32.777 31.823 -0.073 0.000 0.999 354 V HN -0.000 nan 8.190 nan 0.000 0.472 355 R N 3.713 124.128 120.500 -0.142 0.000 2.107 355 R HA -0.061 4.279 4.340 0.000 0.000 0.223 355 R C 1.474 177.608 176.300 -0.277 0.000 1.138 355 R CA 1.539 57.514 56.100 -0.207 0.000 0.900 355 R CB -0.257 29.963 30.300 -0.134 0.000 0.814 355 R HN 0.684 nan 8.270 nan 0.000 0.437 356 S N -0.848 114.748 115.700 -0.174 0.000 2.549 356 S HA 0.085 4.555 4.470 0.000 0.000 0.286 356 S C 1.015 175.270 174.600 -0.576 0.000 1.314 356 S CA -0.033 57.997 58.200 -0.284 0.000 1.062 356 S CB 1.303 64.399 63.200 -0.173 0.000 0.865 356 S HN 0.522 nan 8.310 nan 0.000 0.498 357 G N 3.705 111.928 108.800 -0.962 0.000 2.920 357 G HA2 -0.046 3.914 3.960 0.000 0.000 0.208 357 G HA3 -0.046 3.914 3.960 0.000 0.000 0.208 357 G C 1.281 175.589 174.900 -0.986 0.000 1.159 357 G CA -0.058 44.257 45.100 -1.308 0.000 0.784 357 G HN 0.791 nan 8.290 nan 0.000 0.535 358 R N -0.396 119.578 120.500 -0.876 0.000 2.189 358 R HA -0.047 4.293 4.340 0.000 0.000 0.223 358 R C 0.314 176.282 176.300 -0.554 0.000 1.092 358 R CA 0.758 56.481 56.100 -0.627 0.000 0.989 358 R CB -0.095 29.773 30.300 -0.720 0.000 0.876 358 R HN 0.409 nan 8.270 nan 0.000 0.457 359 Y N -0.008 120.207 120.300 -0.141 0.000 2.774 359 Y HA 0.388 4.938 4.550 0.000 0.000 0.305 359 Y C -0.544 175.298 175.900 -0.097 0.000 1.067 359 Y CA -0.582 57.467 58.100 -0.085 0.000 1.304 359 Y CB 0.416 38.831 38.460 -0.075 0.000 1.209 359 Y HN -0.185 nan 8.280 nan 0.000 0.543 360 R N 0.103 120.587 120.500 -0.026 0.000 2.607 360 R HA 0.252 4.592 4.340 0.000 0.000 0.278 360 R C -2.472 173.899 176.300 0.118 0.000 1.637 360 R CA -1.470 54.643 56.100 0.021 0.000 1.325 360 R CB 1.165 31.408 30.300 -0.094 0.000 1.211 360 R HN 0.019 nan 8.270 nan 0.000 0.565 361 P HA -0.203 nan 4.420 nan 0.000 0.216 361 P C 1.040 178.414 177.300 0.124 0.000 1.154 361 P CA 1.650 64.820 63.100 0.118 0.000 0.865 361 P CB 0.258 32.011 31.700 0.090 0.000 0.789 362 M N -3.187 116.496 119.600 0.138 0.000 2.160 362 M HA -0.061 4.419 4.480 0.000 0.000 0.264 362 M C 2.060 178.459 176.300 0.165 0.000 1.073 362 M CA 1.405 56.775 55.300 0.117 0.000 1.142 362 M CB -0.831 31.876 32.600 0.179 0.000 1.358 362 M HN -0.132 nan 8.290 nan 0.000 0.422 363 F N 1.939 121.962 119.950 0.121 0.000 2.027 363 F HA -0.323 4.204 4.527 0.000 0.000 0.297 363 F C 2.210 178.117 175.800 0.179 0.000 1.129 363 F CA 2.001 60.100 58.000 0.164 0.000 1.195 363 F CB -0.411 38.605 39.000 0.026 0.000 0.960 363 F HN -0.048 nan 8.300 nan 0.000 0.485 364 K N -0.062 120.629 120.400 0.484 0.000 2.097 364 K HA -0.275 4.045 4.320 0.000 0.000 0.214 364 K C 1.956 178.788 176.600 0.387 0.000 1.052 364 K CA 2.087 58.654 56.287 0.465 0.000 0.932 364 K CB -0.553 32.199 32.500 0.420 0.000 0.716 364 K HN 0.298 nan 8.250 nan 0.000 0.455 365 I N 0.191 120.845 120.570 0.139 0.000 2.127 365 I HA -0.270 3.900 4.170 0.000 0.000 0.241 365 I C 2.262 178.347 176.117 -0.053 0.000 1.075 365 I CA 1.734 63.019 61.300 -0.025 0.000 1.334 365 I CB -1.264 36.546 38.000 -0.316 0.000 1.040 365 I HN 0.148 nan 8.210 nan 0.000 0.405 366 Y N -0.281 120.088 120.300 0.115 0.000 2.293 366 Y HA -0.230 4.320 4.550 0.000 0.000 0.291 366 Y C 2.448 178.318 175.900 -0.051 0.000 1.137 366 Y CA 0.899 59.082 58.100 0.137 0.000 1.202 366 Y CB -1.158 37.410 38.460 0.179 0.000 0.990 366 Y HN 0.093 nan 8.280 nan 0.000 0.537 367 F N -0.797 119.022 119.950 -0.219 0.000 2.051 367 F HA -0.247 4.280 4.527 0.000 0.000 0.296 367 F C 1.753 177.318 175.800 -0.392 0.000 1.122 367 F CA 1.549 59.260 58.000 -0.481 0.000 1.201 367 F CB -0.782 37.946 39.000 -0.454 0.000 0.978 367 F HN 0.005 nan 8.300 nan 0.000 0.472 368 W N 0.717 122.053 121.300 0.061 0.000 2.364 368 W HA -0.158 4.502 4.660 0.000 0.000 0.281 368 W C 2.266 178.640 176.519 -0.242 0.000 1.219 368 W CA 1.020 58.299 57.345 -0.111 0.000 1.220 368 W CB -0.576 28.914 29.460 0.050 0.000 1.127 368 W HN 0.103 nan 8.180 nan 0.000 0.556 369 L N -0.766 120.437 121.223 -0.034 0.000 2.093 369 L HA -0.212 4.128 4.340 0.000 0.000 0.208 369 L C 2.404 179.143 176.870 -0.219 0.000 1.085 369 L CA 0.673 55.403 54.840 -0.183 0.000 0.755 369 L CB -0.944 40.926 42.059 -0.315 0.000 0.904 369 L HN 0.026 nan 8.230 nan 0.000 0.435 370 L N 0.153 121.242 121.223 -0.223 0.000 1.989 370 L HA -0.218 4.123 4.340 0.000 0.000 0.211 370 L C 2.646 179.411 176.870 -0.176 0.000 1.071 370 L CA 2.172 56.875 54.840 -0.228 0.000 0.749 370 L CB -0.765 40.768 42.059 -0.876 0.000 0.890 370 L HN 0.176 nan 8.230 nan 0.000 0.431 371 A N -0.476 122.024 122.820 -0.534 0.000 1.851 371 A HA -0.185 4.135 4.320 0.000 0.000 0.216 371 A C 2.480 179.956 177.584 -0.180 0.000 1.195 371 A CA 2.406 54.067 52.037 -0.627 0.000 0.622 371 A CB -1.470 17.075 19.000 -0.758 0.000 0.831 371 A HN 0.616 nan 8.150 nan 0.000 0.444 372 A N -0.247 122.512 122.820 -0.101 0.000 1.903 372 A HA -0.309 4.011 4.320 0.000 0.000 0.219 372 A C 1.860 179.444 177.584 -0.000 0.000 1.191 372 A CA 2.582 54.594 52.037 -0.040 0.000 0.638 372 A CB -0.930 18.035 19.000 -0.057 0.000 0.823 372 A HN 0.572 nan 8.150 nan 0.000 0.451 373 D N -1.495 118.922 120.400 0.027 0.000 2.087 373 D HA -0.186 4.455 4.640 0.000 0.000 0.192 373 D C 1.669 178.075 176.300 0.176 0.000 0.993 373 D CA 1.611 55.685 54.000 0.125 0.000 0.828 373 D CB -0.371 40.590 40.800 0.267 0.000 0.968 373 D HN 0.363 nan 8.370 nan 0.000 0.448 374 F N 0.479 120.500 119.950 0.119 0.000 2.115 374 F HA -0.262 4.265 4.527 0.000 0.000 0.300 374 F C 2.173 177.966 175.800 -0.012 0.000 1.092 374 F CA 1.402 59.443 58.000 0.069 0.000 1.245 374 F CB -0.440 38.701 39.000 0.235 0.000 0.995 374 F HN -0.081 nan 8.300 nan 0.000 0.481 375 V N 0.854 120.835 119.914 0.111 0.000 2.237 375 V HA -0.328 3.792 4.120 0.000 0.000 0.245 375 V C 2.424 178.529 176.094 0.019 0.000 1.046 375 V CA 2.250 64.571 62.300 0.035 0.000 1.007 375 V CB -0.728 31.122 31.823 0.045 0.000 0.638 375 V HN 0.371 nan 8.190 nan 0.000 0.445 376 I N -0.452 120.142 120.570 0.041 0.000 2.118 376 I HA -0.329 3.841 4.170 0.000 0.000 0.241 376 I C 2.484 178.685 176.117 0.139 0.000 1.070 376 I CA 1.769 63.140 61.300 0.118 0.000 1.327 376 I CB -0.515 37.532 38.000 0.079 0.000 1.034 376 I HN 0.250 nan 8.210 nan 0.000 0.405 377 L N 0.201 121.415 121.223 -0.015 0.000 2.021 377 L HA -0.298 4.042 4.340 0.000 0.000 0.215 377 L C 2.719 179.480 176.870 -0.182 0.000 1.074 377 L CA 2.067 56.825 54.840 -0.137 0.000 0.760 377 L CB -0.700 41.179 42.059 -0.300 0.000 0.889 377 L HN 0.339 nan 8.230 nan 0.000 0.433 378 T N -1.686 112.722 114.554 -0.244 0.000 2.643 378 T HA -0.292 4.058 4.350 0.000 0.000 0.264 378 T C 1.220 175.892 174.700 -0.047 0.000 1.045 378 T CA 1.689 63.677 62.100 -0.186 0.000 1.155 378 T CB -0.614 68.147 68.868 -0.179 0.000 0.863 378 T HN 0.548 nan 8.240 nan 0.000 0.420 379 W N 2.727 123.950 121.300 -0.127 0.000 2.290 379 W HA -0.275 4.385 4.660 0.000 0.000 0.311 379 W C 2.209 178.658 176.519 -0.117 0.000 1.238 379 W CA 2.045 59.330 57.345 -0.100 0.000 1.255 379 W CB -0.764 28.648 29.460 -0.080 0.000 1.145 379 W HN 0.172 nan 8.180 nan 0.000 0.506 380 V N -0.523 119.211 119.914 -0.301 0.000 2.548 380 V HA 0.022 4.142 4.120 0.000 0.000 0.249 380 V C 2.210 178.045 176.094 -0.432 0.000 1.055 380 V CA 1.938 63.903 62.300 -0.558 0.000 1.065 380 V CB -1.986 29.725 31.823 -0.188 0.000 0.681 380 V HN 0.311 nan 8.190 nan 0.000 0.462 381 G N 0.203 108.867 108.800 -0.227 0.000 2.479 381 G HA2 -0.100 3.860 3.960 0.000 0.000 0.220 381 G HA3 -0.100 3.860 3.960 0.000 0.000 0.220 381 G C 1.484 176.363 174.900 -0.035 0.000 1.115 381 G CA 0.964 46.056 45.100 -0.013 0.000 0.757 381 G HN 0.864 nan 8.290 nan 0.000 0.560 382 A N -1.026 121.638 122.820 -0.260 0.000 2.218 382 A HA 0.307 4.627 4.320 0.000 0.000 0.209 382 A C 1.426 178.765 177.584 -0.408 0.000 1.168 382 A CA 0.345 52.207 52.037 -0.292 0.000 0.804 382 A CB 0.074 18.881 19.000 -0.321 0.000 0.834 382 A HN 0.333 nan 8.150 nan 0.000 0.482 383 Q N -0.072 119.378 119.800 -0.583 0.000 2.207 383 Q HA 0.390 4.730 4.340 0.000 0.000 0.237 383 Q C -0.383 175.344 176.000 -0.454 0.000 0.998 383 Q CA -0.379 54.974 55.803 -0.749 0.000 0.951 383 Q CB 0.319 28.179 28.738 -1.464 0.000 1.213 383 Q HN 0.568 nan 8.270 nan 0.000 0.499 384 Q N -0.101 119.466 119.800 -0.388 0.000 2.407 384 Q HA 0.181 4.521 4.340 0.000 0.000 0.214 384 Q C 0.817 176.789 176.000 -0.046 0.000 1.043 384 Q CA 0.073 55.803 55.803 -0.122 0.000 0.983 384 Q CB 0.389 29.122 28.738 -0.008 0.000 1.211 384 Q HN 0.648 nan 8.270 nan 0.000 0.564 385 T N -2.660 111.891 114.554 -0.005 0.000 3.148 385 T HA -0.031 4.319 4.350 0.000 0.000 0.253 385 T C 0.931 175.670 174.700 0.065 0.000 1.134 385 T CA 0.343 62.440 62.100 -0.005 0.000 1.051 385 T CB -0.549 68.299 68.868 -0.034 0.000 0.959 385 T HN 0.733 nan 8.240 nan 0.000 0.525 386 T N 0.248 114.884 114.554 0.137 0.000 2.754 386 T HA 0.465 4.815 4.350 0.000 0.000 0.286 386 T C -0.070 174.738 174.700 0.180 0.000 0.997 386 T CA -1.011 61.189 62.100 0.167 0.000 0.982 386 T CB 0.336 69.305 68.868 0.168 0.000 1.027 386 T HN 0.178 nan 8.240 nan 0.000 0.529 387 F N 2.975 122.947 119.950 0.036 0.000 2.459 387 F HA 0.402 4.929 4.527 0.000 0.000 0.346 387 F C -1.336 174.323 175.800 -0.235 0.000 1.128 387 F CA -2.242 55.755 58.000 -0.005 0.000 1.268 387 F CB 0.877 39.907 39.000 0.050 0.000 1.161 387 F HN 0.413 nan 8.300 nan 0.000 0.583 388 P HA -0.064 nan 4.420 nan 0.000 0.255 388 P C 0.830 177.848 177.300 -0.470 0.000 1.248 388 P CA 0.825 62.999 63.100 -1.544 0.000 0.807 388 P CB -0.085 30.716 31.700 -1.498 0.000 1.150 389 Y N 2.995 123.195 120.300 -0.166 0.000 2.081 389 Y HA -0.258 4.292 4.550 0.000 0.000 0.280 389 Y C 2.427 178.287 175.900 -0.066 0.000 1.163 389 Y CA 1.717 59.762 58.100 -0.092 0.000 1.135 389 Y CB -1.903 36.468 38.460 -0.148 0.000 0.970 389 Y HN 0.097 nan 8.280 nan 0.000 0.498 390 D N -1.305 119.142 120.400 0.080 0.000 2.149 390 D HA -0.285 4.355 4.640 0.000 0.000 0.194 390 D C 1.836 178.027 176.300 -0.183 0.000 1.001 390 D CA 1.771 55.722 54.000 -0.082 0.000 0.849 390 D CB -1.205 39.539 40.800 -0.093 0.000 0.939 390 D HN 0.472 nan 8.370 nan 0.000 0.449 391 W N 0.903 122.198 121.300 -0.008 0.000 2.408 391 W HA 0.150 4.810 4.660 0.000 0.000 0.311 391 W C 2.760 179.269 176.519 -0.018 0.000 1.190 391 W CA 0.518 57.857 57.345 -0.010 0.000 1.321 391 W CB -0.451 29.039 29.460 0.049 0.000 1.143 391 W HN -0.126 nan 8.180 nan 0.000 0.501 392 I N 0.528 121.234 120.570 0.227 0.000 2.087 392 I HA -0.463 3.707 4.170 0.000 0.000 0.240 392 I C 2.667 178.845 176.117 0.101 0.000 1.054 392 I CA 2.082 63.486 61.300 0.174 0.000 1.311 392 I CB -1.338 36.795 38.000 0.222 0.000 1.024 392 I HN 0.005 nan 8.210 nan 0.000 0.402 393 S N 1.339 117.057 115.700 0.029 0.000 2.374 393 S HA -0.232 4.238 4.470 0.000 0.000 0.227 393 S C 2.067 176.600 174.600 -0.111 0.000 1.037 393 S CA 1.342 59.499 58.200 -0.071 0.000 1.024 393 S CB -1.073 62.025 63.200 -0.170 0.000 0.861 393 S HN 0.434 nan 8.310 nan 0.000 0.456 394 L N 0.866 121.995 121.223 -0.157 0.000 2.012 394 L HA -0.073 4.267 4.340 0.000 0.000 0.210 394 L C 2.666 179.544 176.870 0.013 0.000 1.073 394 L CA 1.762 56.491 54.840 -0.185 0.000 0.748 394 L CB -0.503 41.365 42.059 -0.318 0.000 0.891 394 L HN 0.383 nan 8.230 nan 0.000 0.431 395 I N -0.637 119.992 120.570 0.099 0.000 2.226 395 I HA -0.290 3.880 4.170 0.000 0.000 0.245 395 I C 2.792 179.040 176.117 0.218 0.000 1.100 395 I CA 1.105 62.514 61.300 0.180 0.000 1.374 395 I CB -0.681 37.433 38.000 0.190 0.000 1.057 395 I HN 0.225 nan 8.210 nan 0.000 0.413 396 A N 0.938 123.861 122.820 0.171 0.000 1.865 396 A HA -0.231 4.089 4.320 0.000 0.000 0.217 396 A C 2.541 180.300 177.584 0.291 0.000 1.191 396 A CA 2.543 54.703 52.037 0.205 0.000 0.623 396 A CB -0.958 18.110 19.000 0.113 0.000 0.826 396 A HN 0.427 nan 8.150 nan 0.000 0.444 397 S N 0.216 116.042 115.700 0.210 0.000 2.370 397 S HA -0.100 4.370 4.470 0.000 0.000 0.226 397 S C 2.304 177.253 174.600 0.582 0.000 1.033 397 S CA 1.374 59.780 58.200 0.343 0.000 1.011 397 S CB -0.700 62.632 63.200 0.219 0.000 0.852 397 S HN 0.860 nan 8.310 nan 0.000 0.457 398 A N 1.123 124.202 122.820 0.433 0.000 1.859 398 A HA -0.202 4.118 4.320 0.000 0.000 0.217 398 A C 1.985 179.830 177.584 0.435 0.000 1.198 398 A CA 1.998 54.286 52.037 0.418 0.000 0.629 398 A CB -1.289 17.887 19.000 0.294 0.000 0.830 398 A HN 0.555 nan 8.150 nan 0.000 0.446 399 Y N -0.901 119.583 120.300 0.306 0.000 2.193 399 Y HA -0.274 4.276 4.550 0.000 0.000 0.285 399 Y C 2.300 178.389 175.900 0.314 0.000 1.166 399 Y CA 1.776 60.033 58.100 0.262 0.000 1.181 399 Y CB -0.379 38.203 38.460 0.204 0.000 0.976 399 Y HN 0.569 nan 8.280 nan 0.000 0.520 400 W N 0.314 121.734 121.300 0.201 0.000 2.311 400 W HA -0.350 4.310 4.660 0.000 0.000 0.326 400 W C 1.806 178.364 176.519 0.064 0.000 1.239 400 W CA 2.490 59.893 57.345 0.098 0.000 1.258 400 W CB -1.118 28.339 29.460 -0.004 0.000 1.165 400 W HN 0.178 nan 8.180 nan 0.000 0.466 401 F N 1.048 121.214 119.950 0.361 0.000 2.216 401 F HA -0.135 4.392 4.527 0.000 0.000 0.300 401 F C 2.752 178.583 175.800 0.052 0.000 1.085 401 F CA 1.842 59.977 58.000 0.226 0.000 1.326 401 F CB -1.495 37.637 39.000 0.221 0.000 1.027 401 F HN -0.081 nan 8.300 nan 0.000 0.497 402 A N -0.152 122.750 122.820 0.136 0.000 1.873 402 A HA -0.323 3.998 4.320 0.000 0.000 0.218 402 A C 2.100 179.525 177.584 -0.265 0.000 1.193 402 A CA 2.051 54.040 52.037 -0.079 0.000 0.629 402 A CB -1.600 17.297 19.000 -0.172 0.000 0.826 402 A HN 0.483 nan 8.150 nan 0.000 0.447 403 Y N -0.646 119.282 120.300 -0.619 0.000 2.128 403 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 403 Y C 1.978 177.485 175.900 -0.654 0.000 1.154 403 Y CA 2.231 59.874 58.100 -0.763 0.000 1.149 403 Y CB -0.491 37.372 38.460 -0.996 0.000 0.976 403 Y HN 0.283 nan 8.280 nan 0.000 0.505 404 F N -0.891 118.810 119.950 -0.415 0.000 2.219 404 F HA -0.041 4.487 4.527 0.000 0.000 0.294 404 F C 2.065 177.722 175.800 -0.239 0.000 1.086 404 F CA 0.969 58.737 58.000 -0.385 0.000 1.330 404 F CB -0.466 38.365 39.000 -0.282 0.000 1.047 404 F HN -0.056 nan 8.300 nan 0.000 0.495 405 L N -1.197 120.056 121.223 0.051 0.000 2.418 405 L HA -0.003 4.337 4.340 0.000 0.000 0.218 405 L C 1.387 178.238 176.870 -0.032 0.000 1.125 405 L CA 0.198 55.066 54.840 0.046 0.000 0.835 405 L CB -0.100 42.036 42.059 0.129 0.000 0.953 405 L HN 0.022 nan 8.230 nan 0.000 0.454 406 V N -1.287 118.560 119.914 -0.111 0.000 3.668 406 V HA 0.036 4.156 4.120 0.000 0.000 0.199 406 V C 1.985 177.948 176.094 -0.219 0.000 1.241 406 V CA 0.004 62.227 62.300 -0.129 0.000 1.308 406 V CB 0.108 31.871 31.823 -0.100 0.000 1.411 406 V HN 0.029 nan 8.190 nan 0.000 0.535 407 I N 0.789 121.157 120.570 -0.337 0.000 2.074 407 I HA -0.365 3.805 4.170 0.000 0.000 0.238 407 I C 2.509 178.391 176.117 -0.392 0.000 1.037 407 I CA 2.101 63.129 61.300 -0.454 0.000 1.301 407 I CB -0.569 37.018 38.000 -0.688 0.000 1.016 407 I HN 0.274 nan 8.210 nan 0.000 0.400 408 L N 0.139 121.050 121.223 -0.520 0.000 2.013 408 L HA -0.184 4.156 4.340 0.000 0.000 0.212 408 L C -0.029 176.728 176.870 -0.187 0.000 1.073 408 L CA 1.970 56.579 54.840 -0.386 0.000 0.753 408 L CB -2.060 39.686 42.059 -0.522 0.000 0.890 408 L HN 0.191 nan 8.230 nan 0.000 0.432 409 P HA -0.191 nan 4.420 nan 0.000 0.215 409 P C 1.832 179.096 177.300 -0.060 0.000 1.157 409 P CA 1.566 64.618 63.100 -0.080 0.000 0.868 409 P CB 0.108 31.771 31.700 -0.063 0.000 0.788 410 I N -1.309 119.213 120.570 -0.080 0.000 2.110 410 I HA -0.227 3.943 4.170 0.000 0.000 0.236 410 I C 2.348 178.450 176.117 -0.025 0.000 1.068 410 I CA 1.266 62.536 61.300 -0.050 0.000 1.333 410 I CB -0.809 37.153 38.000 -0.064 0.000 1.054 410 I HN -0.135 nan 8.210 nan 0.000 0.402 411 L N 0.713 121.918 121.223 -0.029 0.000 2.230 411 L HA -0.283 4.057 4.340 0.000 0.000 0.217 411 L C 2.465 179.358 176.870 0.038 0.000 1.090 411 L CA 1.545 56.406 54.840 0.035 0.000 0.771 411 L CB -1.107 40.998 42.059 0.077 0.000 0.892 411 L HN 0.448 nan 8.230 nan 0.000 0.438 412 G N -1.046 107.761 108.800 0.011 0.000 2.442 412 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 412 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 412 G C 1.623 176.529 174.900 0.011 0.000 1.141 412 G CA 0.855 45.960 45.100 0.009 0.000 0.763 412 G HN 0.536 nan 8.290 nan 0.000 0.554 413 A N -0.015 122.811 122.820 0.011 0.000 1.956 413 A HA 0.378 4.698 4.320 0.000 0.000 0.212 413 A C 2.321 179.917 177.584 0.021 0.000 1.188 413 A CA 0.478 52.523 52.037 0.013 0.000 0.675 413 A CB -0.040 18.966 19.000 0.010 0.000 0.845 413 A HN 0.305 nan 8.150 nan 0.000 0.455 414 I N -0.023 120.564 120.570 0.028 0.000 2.333 414 I HA -0.079 4.091 4.170 0.000 0.000 0.246 414 I C 1.299 177.446 176.117 0.050 0.000 1.106 414 I CA 0.396 61.719 61.300 0.039 0.000 1.411 414 I CB -0.150 37.877 38.000 0.045 0.000 1.082 414 I HN 0.408 nan 8.210 nan 0.000 0.420 415 E N 2.320 122.556 120.200 0.061 0.000 2.415 415 E HA -0.068 4.282 4.350 0.000 0.000 0.262 415 E C -0.090 176.540 176.600 0.050 0.000 1.038 415 E CA 0.015 56.458 56.400 0.071 0.000 0.921 415 E CB 0.573 30.330 29.700 0.095 0.000 0.950 415 E HN -0.100 nan 8.360 nan 0.000 0.438 416 K N 5.455 125.886 120.400 0.051 0.000 2.357 416 K HA 0.291 4.611 4.320 0.000 0.000 0.251 416 K C -2.344 174.280 176.600 0.040 0.000 1.069 416 K CA -2.070 54.239 56.287 0.038 0.000 0.994 416 K CB 1.079 33.599 32.500 0.035 0.000 1.411 416 K HN 0.475 nan 8.250 nan 0.000 0.450 417 P HA 0.048 nan 4.420 nan 0.000 0.268 417 P C 0.296 177.611 177.300 0.026 0.000 1.204 417 P CA -0.309 62.811 63.100 0.033 0.000 0.768 417 P CB 0.979 32.688 31.700 0.015 0.000 0.842 418 V N 2.349 122.293 119.914 0.050 0.000 3.489 418 V HA 0.314 4.434 4.120 0.000 0.000 0.297 418 V C 0.955 176.999 176.094 -0.083 0.000 1.071 418 V CA -0.294 62.015 62.300 0.015 0.000 1.074 418 V CB 0.729 32.598 31.823 0.076 0.000 1.188 418 V HN 0.770 nan 8.190 nan 0.000 0.458 419 A N 3.425 126.155 122.820 -0.150 0.000 2.302 419 A HA 0.577 4.897 4.320 0.000 0.000 0.295 419 A C -2.060 175.235 177.584 -0.482 0.000 1.235 419 A CA -1.195 50.706 52.037 -0.228 0.000 0.876 419 A CB -0.261 18.651 19.000 -0.146 0.000 1.133 419 A HN 0.621 nan 8.150 nan 0.000 0.533 420 P HA 0.354 nan 4.420 nan 0.000 0.285 420 P C -2.648 174.438 177.300 -0.358 0.000 1.259 420 P CA -1.237 61.419 63.100 -0.742 0.000 0.794 420 P CB 0.357 31.841 31.700 -0.360 0.000 0.940 421 P HA -0.068 nan 4.420 nan 0.000 0.270 421 P C 0.938 178.191 177.300 -0.078 0.000 1.216 421 P CA 0.271 63.299 63.100 -0.120 0.000 0.788 421 P CB 0.264 31.938 31.700 -0.043 0.000 0.883 422 A N 0.796 123.585 122.820 -0.052 0.000 1.970 422 A HA 0.091 4.411 4.320 0.000 0.000 0.216 422 A C 0.891 178.463 177.584 -0.021 0.000 1.170 422 A CA 1.909 53.924 52.037 -0.037 0.000 0.645 422 A CB -0.715 18.266 19.000 -0.031 0.000 0.816 422 A HN 0.658 nan 8.150 nan 0.000 0.447 423 T N -4.745 109.803 114.554 -0.010 0.000 2.883 423 T HA 0.580 4.930 4.350 0.000 0.000 0.301 423 T C 0.664 175.373 174.700 0.015 0.000 1.158 423 T CA -0.369 61.731 62.100 0.001 0.000 1.007 423 T CB 0.823 69.693 68.868 0.004 0.000 1.186 423 T HN 0.015 nan 8.240 nan 0.000 0.499 424 I N 0.688 121.264 120.570 0.010 0.000 2.286 424 I HA -0.094 4.076 4.170 0.000 0.000 0.248 424 I C 2.776 178.925 176.117 0.053 0.000 1.115 424 I CA 1.515 62.822 61.300 0.012 0.000 1.392 424 I CB -0.337 37.643 38.000 -0.034 0.000 1.065 424 I HN 0.922 nan 8.210 nan 0.000 0.418 425 E N 1.675 121.906 120.200 0.051 0.000 2.033 425 E HA -0.348 4.002 4.350 0.000 0.000 0.199 425 E C 2.113 178.777 176.600 0.106 0.000 1.011 425 E CA 2.041 58.501 56.400 0.099 0.000 0.815 425 E CB -0.196 29.538 29.700 0.057 0.000 0.755 425 E HN 0.502 nan 8.360 nan 0.000 0.451 426 E N 0.515 120.748 120.200 0.055 0.000 2.068 426 E HA -0.316 4.034 4.350 0.000 0.000 0.207 426 E C 2.056 178.685 176.600 0.048 0.000 1.032 426 E CA 1.994 58.414 56.400 0.034 0.000 0.839 426 E CB -0.346 29.364 29.700 0.015 0.000 0.758 426 E HN 0.395 nan 8.360 nan 0.000 0.457 427 D N -0.455 119.987 120.400 0.071 0.000 2.092 427 D HA -0.201 4.439 4.640 0.000 0.000 0.193 427 D C 2.014 178.389 176.300 0.125 0.000 0.994 427 D CA 1.184 55.239 54.000 0.091 0.000 0.828 427 D CB -0.432 40.430 40.800 0.104 0.000 0.963 427 D HN 0.213 nan 8.370 nan 0.000 0.450 428 F N 2.541 122.472 119.950 -0.032 0.000 2.043 428 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 428 F C 2.196 177.971 175.800 -0.042 0.000 1.118 428 F CA 1.734 59.705 58.000 -0.049 0.000 1.202 428 F CB -1.033 37.926 39.000 -0.067 0.000 0.965 428 F HN -0.002 nan 8.300 nan 0.000 0.482 429 N N 0.894 119.505 118.700 -0.148 0.000 2.091 429 N HA -0.174 4.566 4.740 0.000 0.000 0.193 429 N C 1.131 176.528 175.510 -0.187 0.000 1.021 429 N CA 1.095 53.992 53.050 -0.253 0.000 0.862 429 N CB -0.975 37.446 38.487 -0.110 0.000 1.018 429 N HN 0.373 nan 8.380 nan 0.000 0.429 430 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 52.007 52.037 -0.051 0.000 0.836 430 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486