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 1pp9_1_C DATA FIRST_RESID 15 DATA SEQUENCE NNAFIDLPAP SNISSWWNFG SLLGICLILQ ILTGLFLAMH YTSDTTTAFS DATA SEQUENCE SVTHICRDVN YGWIIRYMHA NGASMFFICL YMHVGRGLYY GSYTFLETWN DATA SEQUENCE IGVILLLTVM ATAFMGYVLP WGQMSFWGAT VITNLLSAIP YIGTNLVEWI DATA SEQUENCE WGGFSVDKAT LTRFFAFHFI LPFIIMAIAM VHLLFLHETG SNNPTGISSD DATA SEQUENCE VDKIPFHPYY TIKDILGALL LILALMLLVL FAPDLLGDPD NYTPANPLNT DATA SEQUENCE PPHIKPEWYF LFAYAILRSI PNKLGGVLAL AFSILILALI PLLHTSKQRS DATA SEQUENCE MMFRPLSQCL FWALVADLLT LTWIGGQPVE HPYITIGQLA SVLYFLLILV DATA SEQUENCE LMPTAGTIEN KLLKW 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 15 N HA 0.000 nan 4.740 nan 0.000 0.220 15 N C 0.000 175.496 175.510 -0.024 0.000 1.280 15 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 15 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 16 N N 0.917 119.605 118.700 -0.021 0.000 3.046 16 N HA -0.192 4.548 4.740 -0.000 0.000 0.301 16 N C 0.014 175.494 175.510 -0.049 0.000 1.069 16 N CA 1.339 54.367 53.050 -0.036 0.000 0.855 16 N CB -0.675 37.797 38.487 -0.024 0.000 0.940 16 N HN 0.616 nan 8.380 nan 0.000 0.623 17 A N -1.545 121.226 122.820 -0.082 0.000 2.407 17 A HA 0.110 4.430 4.320 -0.000 0.000 0.220 17 A C 0.186 177.708 177.584 -0.104 0.000 2.882 17 A CA 0.347 52.355 52.037 -0.050 0.000 1.564 17 A CB -0.347 18.674 19.000 0.034 0.000 0.204 17 A HN 0.424 nan 8.150 nan 0.000 0.548 18 F N -1.021 118.850 119.950 -0.132 0.000 1.845 18 F HA 0.187 4.714 4.527 -0.000 0.000 0.232 18 F C 1.380 177.159 175.800 -0.036 0.000 1.266 18 F CA 0.823 58.713 58.000 -0.183 0.000 1.252 18 F CB -0.726 38.196 39.000 -0.129 0.000 2.023 18 F HN 0.002 nan 8.300 nan 0.000 0.126 19 I N 1.917 122.497 120.570 0.017 0.000 2.068 19 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 19 I C 1.348 177.559 176.117 0.157 0.000 1.046 19 I CA 2.367 63.728 61.300 0.101 0.000 1.306 19 I CB -1.186 36.831 38.000 0.029 0.000 1.023 19 I HN 0.390 nan 8.210 nan 0.000 0.399 20 D N 0.765 121.216 120.400 0.086 0.000 2.427 20 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 20 D C 0.530 176.871 176.300 0.069 0.000 1.157 20 D CA -0.292 53.761 54.000 0.088 0.000 0.828 20 D CB 0.053 40.885 40.800 0.053 0.000 0.974 20 D HN 0.071 nan 8.370 nan 0.000 0.498 21 L N 2.237 123.497 121.223 0.061 0.000 2.513 21 L HA 0.164 4.504 4.340 -0.000 0.000 0.272 21 L C -2.436 174.489 176.870 0.091 0.000 1.187 21 L CA -0.853 53.984 54.840 -0.005 0.000 0.895 21 L CB 0.382 42.371 42.059 -0.116 0.000 1.147 21 L HN -0.244 nan 8.230 nan 0.000 0.483 22 P HA 0.369 nan 4.420 nan 0.000 0.276 22 P C -1.394 175.964 177.300 0.097 0.000 1.230 22 P CA -0.198 62.947 63.100 0.075 0.000 0.776 22 P CB 1.267 32.986 31.700 0.033 0.000 0.888 23 A N 4.676 127.582 122.820 0.144 0.000 2.498 23 A HA 0.760 5.080 4.320 -0.000 0.000 0.298 23 A C -2.849 174.782 177.584 0.078 0.000 1.075 23 A CA -2.143 49.968 52.037 0.124 0.000 0.714 23 A CB 0.872 20.009 19.000 0.229 0.000 1.299 23 A HN 0.274 nan 8.150 nan 0.000 0.407 24 P HA 0.107 nan 4.420 nan 0.000 0.271 24 P C 0.940 178.244 177.300 0.005 0.000 1.218 24 P CA 0.267 63.333 63.100 -0.057 0.000 0.780 24 P CB 0.942 32.536 31.700 -0.176 0.000 0.901 25 S N 1.362 117.047 115.700 -0.025 0.000 2.453 25 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 25 S C 1.103 175.678 174.600 -0.041 0.000 1.005 25 S CA 0.830 59.000 58.200 -0.050 0.000 0.949 25 S CB -0.821 62.313 63.200 -0.109 0.000 0.774 25 S HN 0.569 nan 8.310 nan 0.000 0.510 26 N N 1.995 120.645 118.700 -0.085 0.000 2.214 26 N HA 0.124 4.864 4.740 -0.000 0.000 0.214 26 N C 0.360 175.725 175.510 -0.241 0.000 1.132 26 N CA -0.462 52.515 53.050 -0.121 0.000 0.856 26 N CB -0.571 37.847 38.487 -0.115 0.000 1.020 26 N HN 0.704 nan 8.380 nan 0.000 0.509 27 I N 0.137 120.494 120.570 -0.355 0.000 2.692 27 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 27 I C 0.688 176.663 176.117 -0.237 0.000 1.159 27 I CA -0.696 60.182 61.300 -0.704 0.000 1.423 27 I CB 0.574 37.932 38.000 -1.070 0.000 1.380 27 I HN 0.043 nan 8.210 nan 0.000 0.580 28 S N 3.222 118.861 115.700 -0.101 0.000 2.666 28 S HA 0.290 4.760 4.470 -0.000 0.000 0.279 28 S C 1.001 175.742 174.600 0.235 0.000 1.149 28 S CA -0.336 57.947 58.200 0.139 0.000 1.020 28 S CB 1.297 64.638 63.200 0.234 0.000 1.127 28 S HN 0.705 nan 8.310 nan 0.000 0.537 29 S N -0.297 115.450 115.700 0.079 0.000 2.442 29 S HA -0.058 4.412 4.470 -0.000 0.000 0.236 29 S C 1.070 175.667 174.600 -0.005 0.000 1.007 29 S CA 1.072 59.239 58.200 -0.056 0.000 0.965 29 S CB -0.604 62.456 63.200 -0.233 0.000 0.773 29 S HN 0.730 nan 8.310 nan 0.000 0.504 30 W N 0.308 121.832 121.300 0.374 0.000 2.525 30 W HA 0.034 4.694 4.660 -0.000 0.000 0.259 30 W C 1.596 178.300 176.519 0.308 0.000 1.253 30 W CA -0.246 57.345 57.345 0.411 0.000 1.262 30 W CB -0.149 29.478 29.460 0.278 0.000 1.122 30 W HN 0.379 nan 8.180 nan 0.000 0.607 31 W N -0.027 121.432 121.300 0.266 0.000 3.256 31 W HA 0.009 4.669 4.660 -0.000 0.000 0.269 31 W C 0.815 177.415 176.519 0.135 0.000 1.310 31 W CA 0.272 57.729 57.345 0.187 0.000 1.673 31 W CB -0.439 29.042 29.460 0.035 0.000 1.115 31 W HN -0.040 nan 8.180 nan 0.000 0.686 32 N N 0.014 118.811 118.700 0.162 0.000 2.457 32 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 32 N C 1.188 176.612 175.510 -0.144 0.000 1.050 32 N CA 0.918 53.938 53.050 -0.050 0.000 0.906 32 N CB -0.582 37.752 38.487 -0.255 0.000 0.968 32 N HN -0.075 nan 8.380 nan 0.000 0.445 33 F N 0.283 120.345 119.950 0.186 0.000 2.365 33 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 33 F C 2.356 178.181 175.800 0.041 0.000 1.090 33 F CA 0.715 58.805 58.000 0.150 0.000 1.408 33 F CB -0.741 38.415 39.000 0.259 0.000 1.060 33 F HN 0.072 nan 8.300 nan 0.000 0.534 34 G N -0.379 108.573 108.800 0.252 0.000 2.404 34 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 34 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 34 G C 1.828 176.749 174.900 0.034 0.000 1.174 34 G CA 1.041 46.199 45.100 0.097 0.000 0.780 34 G HN 0.431 nan 8.290 nan 0.000 0.537 35 S N 0.524 116.271 115.700 0.077 0.000 2.402 35 S HA 0.064 4.534 4.470 -0.000 0.000 0.229 35 S C 2.338 176.918 174.600 -0.033 0.000 1.021 35 S CA 0.833 59.058 58.200 0.042 0.000 0.974 35 S CB -0.352 62.908 63.200 0.101 0.000 0.800 35 S HN 0.265 nan 8.310 nan 0.000 0.484 36 L N 0.429 121.620 121.223 -0.055 0.000 2.141 36 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 36 L C 2.498 179.270 176.870 -0.164 0.000 1.094 36 L CA 0.895 55.679 54.840 -0.094 0.000 0.763 36 L CB -0.544 41.463 42.059 -0.088 0.000 0.908 36 L HN 0.330 nan 8.230 nan 0.000 0.437 37 L N -0.662 120.454 121.223 -0.179 0.000 2.156 37 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 37 L C 2.625 179.268 176.870 -0.378 0.000 1.095 37 L CA 1.096 55.728 54.840 -0.347 0.000 0.770 37 L CB -0.826 41.066 42.059 -0.279 0.000 0.914 37 L HN 0.263 nan 8.230 nan 0.000 0.439 38 G N 0.183 108.859 108.800 -0.207 0.000 2.402 38 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 38 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 38 G C 1.582 176.370 174.900 -0.187 0.000 1.162 38 G CA 0.516 45.522 45.100 -0.157 0.000 0.777 38 G HN 0.267 nan 8.290 nan 0.000 0.539 39 I N 0.256 120.719 120.570 -0.179 0.000 2.315 39 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 39 I C 2.714 178.686 176.117 -0.242 0.000 1.117 39 I CA 0.410 61.612 61.300 -0.163 0.000 1.404 39 I CB -0.255 37.675 38.000 -0.116 0.000 1.071 39 I HN 0.179 nan 8.210 nan 0.000 0.419 40 C N 0.314 119.373 119.300 -0.401 0.000 2.425 40 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 40 C C 2.735 177.380 174.990 -0.576 0.000 1.280 40 C CA 0.478 59.156 59.018 -0.567 0.000 1.744 40 C CB -0.849 26.289 27.740 -1.002 0.000 1.989 40 C HN 0.491 nan 8.230 nan 0.000 0.491 41 L N 0.861 121.728 121.223 -0.593 0.000 2.056 41 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 41 L C 2.149 178.925 176.870 -0.157 0.000 1.078 41 L CA 1.863 56.545 54.840 -0.263 0.000 0.749 41 L CB -0.656 41.309 42.059 -0.157 0.000 0.901 41 L HN 0.311 nan 8.230 nan 0.000 0.433 42 I N -1.073 119.408 120.570 -0.149 0.000 2.226 42 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 42 I C 2.373 178.450 176.117 -0.067 0.000 1.100 42 I CA 1.207 62.453 61.300 -0.090 0.000 1.374 42 I CB -0.397 37.562 38.000 -0.069 0.000 1.057 42 I HN 0.341 nan 8.210 nan 0.000 0.413 43 L N 0.415 121.588 121.223 -0.085 0.000 2.012 43 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 43 L C 2.523 179.401 176.870 0.013 0.000 1.073 43 L CA 1.895 56.707 54.840 -0.047 0.000 0.748 43 L CB -0.641 41.377 42.059 -0.068 0.000 0.891 43 L HN 0.185 nan 8.230 nan 0.000 0.431 44 Q N -0.181 119.621 119.800 0.002 0.000 2.079 44 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 44 Q C 2.396 178.466 176.000 0.117 0.000 0.974 44 Q CA 2.091 57.954 55.803 0.100 0.000 0.840 44 Q CB -0.357 28.409 28.738 0.047 0.000 0.898 44 Q HN 0.636 nan 8.270 nan 0.000 0.430 45 I N 0.251 120.801 120.570 -0.034 0.000 2.202 45 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 45 I C 2.236 178.359 176.117 0.010 0.000 1.091 45 I CA 0.841 62.071 61.300 -0.116 0.000 1.368 45 I CB -0.242 37.621 38.000 -0.228 0.000 1.058 45 I HN 0.135 nan 8.210 nan 0.000 0.410 46 L N 0.181 121.436 121.223 0.053 0.000 1.994 46 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 46 L C 2.859 179.833 176.870 0.173 0.000 1.071 46 L CA 2.130 57.047 54.840 0.128 0.000 0.745 46 L CB -1.152 40.939 42.059 0.053 0.000 0.892 46 L HN 0.423 nan 8.230 nan 0.000 0.431 47 T N -3.157 111.454 114.554 0.095 0.000 2.867 47 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 47 T C 1.910 176.594 174.700 -0.027 0.000 1.057 47 T CA 0.925 63.066 62.100 0.069 0.000 1.136 47 T CB -0.803 68.134 68.868 0.115 0.000 0.874 47 T HN 0.385 nan 8.240 nan 0.000 0.466 48 G N 1.735 110.478 108.800 -0.094 0.000 2.421 48 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.216 48 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.216 48 G C 1.515 176.322 174.900 -0.156 0.000 1.171 48 G CA 0.747 45.658 45.100 -0.316 0.000 0.775 48 G HN 0.510 nan 8.290 nan 0.000 0.543 49 L N -0.814 120.374 121.223 -0.057 0.000 2.046 49 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 49 L C 2.695 179.550 176.870 -0.025 0.000 1.077 49 L CA 0.840 55.640 54.840 -0.066 0.000 0.747 49 L CB -0.406 41.647 42.059 -0.011 0.000 0.896 49 L HN 0.120 nan 8.230 nan 0.000 0.432 50 F N -0.286 119.656 119.950 -0.014 0.000 2.216 50 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 50 F C 2.228 178.084 175.800 0.093 0.000 1.085 50 F CA 1.183 59.206 58.000 0.039 0.000 1.326 50 F CB -0.411 38.608 39.000 0.030 0.000 1.027 50 F HN -0.046 nan 8.300 nan 0.000 0.497 51 L N -0.909 120.410 121.223 0.159 0.000 2.109 51 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 51 L C 2.593 179.564 176.870 0.168 0.000 1.086 51 L CA 0.951 55.862 54.840 0.119 0.000 0.760 51 L CB -0.907 41.105 42.059 -0.078 0.000 0.910 51 L HN 0.083 nan 8.230 nan 0.000 0.437 52 A N -0.510 122.399 122.820 0.147 0.000 2.178 52 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 52 A C 2.205 179.939 177.584 0.251 0.000 1.157 52 A CA 1.201 53.433 52.037 0.324 0.000 0.689 52 A CB -0.465 18.772 19.000 0.395 0.000 0.787 52 A HN 0.386 nan 8.150 nan 0.000 0.465 53 M N -1.335 118.303 119.600 0.063 0.000 2.562 53 M HA 0.004 4.484 4.480 -0.000 0.000 0.257 53 M C 0.948 177.050 176.300 -0.331 0.000 1.099 53 M CA 0.854 56.055 55.300 -0.164 0.000 1.099 53 M CB -0.030 32.357 32.600 -0.355 0.000 1.427 53 M HN 0.491 nan 8.290 nan 0.000 0.489 54 H N -2.966 116.183 119.070 0.132 0.000 3.233 54 H HA 0.161 4.717 4.556 -0.000 0.000 0.263 54 H C -0.614 174.790 175.328 0.127 0.000 1.168 54 H CA -0.182 55.949 56.048 0.138 0.000 1.159 54 H CB 0.468 30.322 29.762 0.152 0.000 1.593 54 H HN 0.213 nan 8.280 nan 0.000 0.580 55 Y N 3.399 123.736 120.300 0.062 0.000 2.310 55 Y HA 0.316 4.866 4.550 -0.000 0.000 0.326 55 Y C 0.131 175.909 175.900 -0.203 0.000 1.151 55 Y CA -0.584 57.458 58.100 -0.097 0.000 1.195 55 Y CB 1.019 39.350 38.460 -0.216 0.000 1.210 55 Y HN -0.050 nan 8.280 nan 0.000 0.483 56 T N 1.127 115.039 114.554 -1.070 0.000 2.824 56 T HA 0.300 4.650 4.350 -0.000 0.000 0.282 56 T C 0.326 174.297 174.700 -1.215 0.000 0.993 56 T CA -0.349 61.252 62.100 -0.832 0.000 0.967 56 T CB 1.222 69.840 68.868 -0.418 0.000 0.960 56 T HN 0.669 nan 8.240 nan 0.000 0.441 57 S N 0.703 115.937 115.700 -0.777 0.000 2.671 57 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 57 S C 0.258 174.632 174.600 -0.377 0.000 0.951 57 S CA -0.511 57.388 58.200 -0.502 0.000 0.932 57 S CB -0.340 62.791 63.200 -0.114 0.000 0.777 57 S HN 0.820 nan 8.310 nan 0.000 0.508 58 D N 2.468 122.648 120.400 -0.366 0.000 2.304 58 D HA 0.078 4.718 4.640 -0.000 0.000 0.250 58 D C 1.421 177.490 176.300 -0.386 0.000 1.107 58 D CA 0.420 54.231 54.000 -0.316 0.000 0.885 58 D CB 1.847 42.509 40.800 -0.229 0.000 1.192 58 D HN 0.346 nan 8.370 nan 0.000 0.436 59 T N -0.107 114.164 114.554 -0.472 0.000 2.897 59 T HA -0.220 4.130 4.350 -0.000 0.000 0.271 59 T C 1.698 176.243 174.700 -0.258 0.000 1.084 59 T CA 1.909 63.657 62.100 -0.588 0.000 1.123 59 T CB -0.489 68.050 68.868 -0.548 0.000 0.865 59 T HN 0.510 nan 8.240 nan 0.000 0.496 60 T N -0.158 114.287 114.554 -0.182 0.000 3.023 60 T HA -0.004 4.346 4.350 -0.000 0.000 0.266 60 T C 1.881 176.533 174.700 -0.079 0.000 1.093 60 T CA 1.265 63.306 62.100 -0.098 0.000 1.129 60 T CB -0.602 68.213 68.868 -0.089 0.000 0.899 60 T HN 0.654 nan 8.240 nan 0.000 0.491 61 T N -2.801 111.676 114.554 -0.129 0.000 3.058 61 T HA 0.673 5.023 4.350 -0.000 0.000 0.278 61 T C 1.978 176.597 174.700 -0.135 0.000 0.974 61 T CA 0.283 62.316 62.100 -0.111 0.000 0.893 61 T CB 0.001 68.778 68.868 -0.152 0.000 1.138 61 T HN 0.336 nan 8.240 nan 0.000 0.529 62 A N 1.689 124.406 122.820 -0.172 0.000 1.851 62 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 62 A C 1.818 179.447 177.584 0.076 0.000 1.195 62 A CA 1.459 53.392 52.037 -0.172 0.000 0.622 62 A CB -1.208 17.717 19.000 -0.125 0.000 0.831 62 A HN 0.478 nan 8.150 nan 0.000 0.444 63 F N 1.058 121.041 119.950 0.054 0.000 2.126 63 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 63 F C 2.658 178.499 175.800 0.069 0.000 1.096 63 F CA 1.839 59.897 58.000 0.096 0.000 1.255 63 F CB -0.319 38.750 39.000 0.115 0.000 0.997 63 F HN 0.196 nan 8.300 nan 0.000 0.479 64 S N -0.479 115.389 115.700 0.280 0.000 2.368 64 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 64 S C 2.299 176.954 174.600 0.090 0.000 1.030 64 S CA 1.442 59.751 58.200 0.180 0.000 0.999 64 S CB -0.623 62.642 63.200 0.109 0.000 0.844 64 S HN 0.636 nan 8.310 nan 0.000 0.459 65 S N 1.050 116.768 115.700 0.030 0.000 2.402 65 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 65 S C 1.833 176.504 174.600 0.117 0.000 1.021 65 S CA 1.106 59.337 58.200 0.053 0.000 0.974 65 S CB -0.614 62.532 63.200 -0.089 0.000 0.800 65 S HN 0.282 nan 8.310 nan 0.000 0.484 66 V N 2.940 122.884 119.914 0.048 0.000 2.358 66 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 66 V C 3.222 179.288 176.094 -0.047 0.000 1.047 66 V CA 2.042 64.334 62.300 -0.012 0.000 1.035 66 V CB -1.557 30.191 31.823 -0.125 0.000 0.658 66 V HN 0.885 nan 8.190 nan 0.000 0.452 67 T N -2.009 112.510 114.554 -0.057 0.000 2.867 67 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 67 T C 1.892 176.639 174.700 0.078 0.000 1.057 67 T CA 1.679 63.787 62.100 0.012 0.000 1.136 67 T CB -0.658 68.249 68.868 0.065 0.000 0.874 67 T HN 0.680 nan 8.240 nan 0.000 0.466 68 H N 1.032 120.109 119.070 0.011 0.000 2.389 68 H HA 0.040 4.596 4.556 -0.000 0.000 0.299 68 H C 2.123 177.447 175.328 -0.005 0.000 1.081 68 H CA 1.402 57.458 56.048 0.013 0.000 1.345 68 H CB -0.247 29.523 29.762 0.014 0.000 1.393 68 H HN 0.424 nan 8.280 nan 0.000 0.520 69 I N 0.389 120.873 120.570 -0.145 0.000 2.142 69 I HA -0.331 3.839 4.170 -0.000 0.000 0.240 69 I C 2.810 178.848 176.117 -0.131 0.000 1.078 69 I CA 1.266 62.434 61.300 -0.220 0.000 1.343 69 I CB -0.288 37.667 38.000 -0.075 0.000 1.046 69 I HN 0.343 nan 8.210 nan 0.000 0.405 70 C N 0.185 119.475 119.300 -0.018 0.000 2.432 70 C HA -0.063 4.397 4.460 -0.000 0.000 0.280 70 C C 2.770 177.841 174.990 0.136 0.000 1.353 70 C CA 0.689 59.780 59.018 0.121 0.000 1.766 70 C CB -1.303 26.536 27.740 0.164 0.000 1.924 70 C HN 0.430 nan 8.230 nan 0.000 0.509 71 R N 0.006 120.532 120.500 0.043 0.000 2.146 71 R HA 0.046 4.386 4.340 -0.000 0.000 0.206 71 R C 1.153 177.446 176.300 -0.012 0.000 1.049 71 R CA 0.834 56.953 56.100 0.032 0.000 1.029 71 R CB -0.020 30.306 30.300 0.044 0.000 0.949 71 R HN 0.427 nan 8.270 nan 0.000 0.471 72 D N -0.349 119.990 120.400 -0.102 0.000 2.454 72 D HA 0.083 4.723 4.640 -0.000 0.000 0.219 72 D C -0.014 176.166 176.300 -0.200 0.000 1.081 72 D CA 0.251 54.176 54.000 -0.125 0.000 0.867 72 D CB 0.766 41.537 40.800 -0.049 0.000 1.054 72 D HN -0.136 nan 8.370 nan 0.000 0.500 73 V N 3.029 122.737 119.914 -0.343 0.000 2.555 73 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 73 V C 0.397 176.389 176.094 -0.170 0.000 1.044 73 V CA -0.639 61.460 62.300 -0.334 0.000 1.026 73 V CB 0.767 32.233 31.823 -0.595 0.000 0.981 73 V HN 0.086 nan 8.190 nan 0.000 0.480 74 N N 4.929 123.573 118.700 -0.094 0.000 2.411 74 N HA 0.005 4.745 4.740 -0.000 0.000 0.265 74 N C 0.140 175.625 175.510 -0.043 0.000 1.266 74 N CA 0.372 53.372 53.050 -0.083 0.000 0.889 74 N CB -0.292 38.233 38.487 0.063 0.000 1.069 74 N HN 0.742 nan 8.380 nan 0.000 0.476 75 Y N -1.399 118.843 120.300 -0.097 0.000 4.604 75 Y HA -0.266 4.284 4.550 -0.000 0.000 0.230 75 Y C 1.761 177.379 175.900 -0.470 0.000 1.066 75 Y CA 0.803 58.662 58.100 -0.403 0.000 1.990 75 Y CB -1.810 36.451 38.460 -0.331 0.000 1.619 75 Y HN 0.689 nan 8.280 nan 0.000 0.649 76 G N 0.507 109.196 108.800 -0.185 0.000 2.422 76 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 76 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 76 G C 1.389 176.229 174.900 -0.101 0.000 1.146 76 G CA 1.004 46.017 45.100 -0.144 0.000 0.769 76 G HN 0.774 nan 8.290 nan 0.000 0.547 77 W N 0.528 121.838 121.300 0.016 0.000 2.358 77 W HA 0.026 4.686 4.660 -0.000 0.000 0.303 77 W C 1.984 178.624 176.519 0.201 0.000 1.208 77 W CA 0.618 58.034 57.345 0.119 0.000 1.274 77 W CB -1.182 28.385 29.460 0.179 0.000 1.138 77 W HN 0.226 nan 8.180 nan 0.000 0.515 78 I N 1.087 121.201 120.570 -0.759 0.000 2.315 78 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 78 I C 2.589 178.587 176.117 -0.199 0.000 1.117 78 I CA 1.392 62.358 61.300 -0.557 0.000 1.404 78 I CB -0.218 37.166 38.000 -1.028 0.000 1.071 78 I HN -0.174 nan 8.210 nan 0.000 0.419 79 I N 0.253 120.693 120.570 -0.217 0.000 2.226 79 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 79 I C 2.688 178.781 176.117 -0.040 0.000 1.100 79 I CA 0.864 62.096 61.300 -0.112 0.000 1.374 79 I CB -0.533 37.408 38.000 -0.099 0.000 1.057 79 I HN 0.240 nan 8.210 nan 0.000 0.413 80 R N 0.824 121.274 120.500 -0.084 0.000 2.062 80 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 80 R C 2.274 178.480 176.300 -0.157 0.000 1.136 80 R CA 1.961 57.966 56.100 -0.158 0.000 0.948 80 R CB -0.618 29.489 30.300 -0.321 0.000 0.845 80 R HN 0.281 nan 8.270 nan 0.000 0.430 81 Y N 0.066 120.454 120.300 0.146 0.000 2.439 81 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 81 Y C 2.403 178.384 175.900 0.136 0.000 1.130 81 Y CA 0.972 59.172 58.100 0.167 0.000 1.254 81 Y CB -0.270 38.318 38.460 0.213 0.000 1.000 81 Y HN 0.037 nan 8.280 nan 0.000 0.554 82 M N -1.708 118.004 119.600 0.187 0.000 2.200 82 M HA -0.182 4.298 4.480 -0.000 0.000 0.265 82 M C 1.990 178.378 176.300 0.146 0.000 1.066 82 M CA 1.483 56.861 55.300 0.131 0.000 1.127 82 M CB -0.252 32.379 32.600 0.052 0.000 1.379 82 M HN 0.280 nan 8.290 nan 0.000 0.420 83 H N 0.119 119.217 119.070 0.047 0.000 2.333 83 H HA 0.027 4.583 4.556 -0.000 0.000 0.302 83 H C 1.911 177.299 175.328 0.099 0.000 1.075 83 H CA 2.045 58.126 56.048 0.055 0.000 1.348 83 H CB 0.051 29.830 29.762 0.029 0.000 1.393 83 H HN 0.305 nan 8.280 nan 0.000 0.509 84 A N 0.502 123.420 122.820 0.163 0.000 1.877 84 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 84 A C 2.218 179.912 177.584 0.184 0.000 1.186 84 A CA 1.743 53.876 52.037 0.159 0.000 0.620 84 A CB -0.443 18.682 19.000 0.209 0.000 0.822 84 A HN 0.553 nan 8.150 nan 0.000 0.443 85 N N -0.199 118.629 118.700 0.214 0.000 2.396 85 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 85 N C 1.781 177.396 175.510 0.175 0.000 1.028 85 N CA 1.038 54.221 53.050 0.221 0.000 0.893 85 N CB -0.290 38.328 38.487 0.218 0.000 0.967 85 N HN 0.505 nan 8.380 nan 0.000 0.440 86 G N 0.884 109.750 108.800 0.110 0.000 2.422 86 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 86 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 86 G C 1.648 176.597 174.900 0.082 0.000 1.140 86 G CA 0.874 46.011 45.100 0.061 0.000 0.775 86 G HN 0.365 nan 8.290 nan 0.000 0.545 87 A N 0.522 123.377 122.820 0.058 0.000 1.969 87 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 87 A C 2.658 180.335 177.584 0.155 0.000 1.169 87 A CA 2.102 54.176 52.037 0.062 0.000 0.635 87 A CB -0.474 18.532 19.000 0.011 0.000 0.810 87 A HN 0.295 nan 8.150 nan 0.000 0.445 88 S N -0.670 115.208 115.700 0.297 0.000 2.368 88 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 88 S C 2.033 176.917 174.600 0.473 0.000 1.029 88 S CA 1.487 60.011 58.200 0.539 0.000 0.988 88 S CB -0.278 63.340 63.200 0.697 0.000 0.838 88 S HN 0.461 nan 8.310 nan 0.000 0.462 89 M N 0.282 120.060 119.600 0.297 0.000 2.159 89 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 89 M C 1.771 178.174 176.300 0.172 0.000 1.063 89 M CA 1.093 56.525 55.300 0.219 0.000 1.110 89 M CB -1.443 31.231 32.600 0.123 0.000 1.374 89 M HN 0.280 nan 8.290 nan 0.000 0.411 90 F N 0.410 120.316 119.950 -0.074 0.000 2.126 90 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 90 F C 2.069 177.607 175.800 -0.438 0.000 1.096 90 F CA 1.403 59.235 58.000 -0.281 0.000 1.255 90 F CB -0.741 37.996 39.000 -0.437 0.000 0.997 90 F HN 0.003 nan 8.300 nan 0.000 0.479 91 F N -0.362 119.512 119.950 -0.126 0.000 2.206 91 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 91 F C 2.407 178.036 175.800 -0.285 0.000 1.090 91 F CA 1.034 58.739 58.000 -0.491 0.000 1.323 91 F CB -0.627 37.827 39.000 -0.910 0.000 1.028 91 F HN -0.124 nan 8.300 nan 0.000 0.492 92 I N -0.913 119.838 120.570 0.301 0.000 2.127 92 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 92 I C 2.365 178.577 176.117 0.160 0.000 1.075 92 I CA 1.189 62.700 61.300 0.351 0.000 1.334 92 I CB -0.603 37.602 38.000 0.342 0.000 1.040 92 I HN 0.221 nan 8.210 nan 0.000 0.405 93 C N 0.455 119.840 119.300 0.142 0.000 2.429 93 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 93 C C 2.739 177.759 174.990 0.051 0.000 1.262 93 C CA 0.480 59.588 59.018 0.150 0.000 1.733 93 C CB -0.990 26.885 27.740 0.225 0.000 2.010 93 C HN 0.451 nan 8.230 nan 0.000 0.483 94 L N -0.515 120.694 121.223 -0.022 0.000 2.017 94 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 94 L C 2.634 179.577 176.870 0.121 0.000 1.073 94 L CA 1.709 56.528 54.840 -0.035 0.000 0.745 94 L CB -0.674 41.219 42.059 -0.276 0.000 0.894 94 L HN 0.316 nan 8.230 nan 0.000 0.432 95 Y N -1.165 119.197 120.300 0.102 0.000 2.242 95 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 95 Y C 2.572 178.480 175.900 0.012 0.000 1.137 95 Y CA 0.622 58.766 58.100 0.074 0.000 1.181 95 Y CB -0.585 37.949 38.460 0.123 0.000 0.989 95 Y HN 0.150 nan 8.280 nan 0.000 0.527 96 M N -1.179 118.457 119.600 0.061 0.000 2.132 96 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 96 M C 2.126 178.398 176.300 -0.045 0.000 1.065 96 M CA 1.679 56.883 55.300 -0.160 0.000 1.122 96 M CB -1.519 30.496 32.600 -0.975 0.000 1.365 96 M HN 0.323 nan 8.290 nan 0.000 0.411 97 H N 0.488 119.514 119.070 -0.074 0.000 2.319 97 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 97 H C 1.949 177.338 175.328 0.102 0.000 1.092 97 H CA 1.969 58.069 56.048 0.087 0.000 1.302 97 H CB 0.012 29.852 29.762 0.130 0.000 1.373 97 H HN 0.068 nan 8.280 nan 0.000 0.497 98 V N -0.247 119.774 119.914 0.179 0.000 2.358 98 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 98 V C 2.696 178.897 176.094 0.178 0.000 1.047 98 V CA 1.690 64.079 62.300 0.149 0.000 1.035 98 V CB -1.085 30.822 31.823 0.140 0.000 0.658 98 V HN 0.708 nan 8.190 nan 0.000 0.452 99 G N 0.049 108.918 108.800 0.115 0.000 2.418 99 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 99 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 99 G C 1.731 176.646 174.900 0.026 0.000 1.158 99 G CA 0.782 45.952 45.100 0.116 0.000 0.771 99 G HN 0.327 nan 8.290 nan 0.000 0.545 100 R N 1.209 121.668 120.500 -0.068 0.000 2.073 100 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 100 R C 2.691 178.990 176.300 -0.003 0.000 1.134 100 R CA 2.023 58.058 56.100 -0.109 0.000 0.952 100 R CB -1.339 28.888 30.300 -0.121 0.000 0.850 100 R HN 0.276 nan 8.270 nan 0.000 0.433 101 G N 1.335 110.157 108.800 0.038 0.000 2.440 101 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 101 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 101 G C 1.776 176.777 174.900 0.169 0.000 1.154 101 G CA 0.854 46.053 45.100 0.166 0.000 0.767 101 G HN 0.317 nan 8.290 nan 0.000 0.552 102 L N -1.338 120.035 121.223 0.251 0.000 2.005 102 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 102 L C 2.563 179.464 176.870 0.051 0.000 1.072 102 L CA 1.219 56.206 54.840 0.245 0.000 0.744 102 L CB -0.604 41.620 42.059 0.276 0.000 0.895 102 L HN 0.238 nan 8.230 nan 0.000 0.433 103 Y N -0.208 119.865 120.300 -0.379 0.000 2.165 103 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 103 Y C 2.017 177.462 175.900 -0.758 0.000 1.155 103 Y CA 1.729 59.280 58.100 -0.914 0.000 1.164 103 Y CB -0.148 37.377 38.460 -1.558 0.000 0.978 103 Y HN 0.077 nan 8.280 nan 0.000 0.513 104 Y N -0.419 119.816 120.300 -0.108 0.000 2.466 104 Y HA 0.273 4.823 4.550 -0.000 0.000 0.272 104 Y C 1.761 177.496 175.900 -0.275 0.000 1.169 104 Y CA 0.259 58.297 58.100 -0.103 0.000 1.285 104 Y CB 0.096 38.610 38.460 0.091 0.000 1.078 104 Y HN 0.204 nan 8.280 nan 0.000 0.523 105 G N -0.466 108.109 108.800 -0.375 0.000 2.160 105 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.251 105 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.251 105 G C 1.203 175.480 174.900 -1.039 0.000 1.008 105 G CA 0.646 45.158 45.100 -0.979 0.000 0.724 105 G HN 0.355 nan 8.290 nan 0.000 0.514 106 S N -0.547 114.793 115.700 -0.600 0.000 2.469 106 S HA -0.085 4.385 4.470 -0.000 0.000 0.238 106 S C 1.911 176.236 174.600 -0.459 0.000 0.998 106 S CA 1.647 59.582 58.200 -0.441 0.000 0.957 106 S CB -0.395 62.760 63.200 -0.075 0.000 0.764 106 S HN 0.972 nan 8.310 nan 0.000 0.514 107 Y N 2.013 122.001 120.300 -0.520 0.000 2.569 107 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 107 Y C 2.224 177.823 175.900 -0.501 0.000 1.144 107 Y CA 0.865 58.459 58.100 -0.844 0.000 1.321 107 Y CB -2.045 35.227 38.460 -1.981 0.000 0.982 107 Y HN 0.268 nan 8.280 nan 0.000 0.558 108 T N -3.336 110.851 114.554 -0.612 0.000 3.051 108 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 108 T C 0.185 174.815 174.700 -0.117 0.000 1.127 108 T CA 0.081 61.956 62.100 -0.375 0.000 1.107 108 T CB -0.799 67.755 68.868 -0.524 0.000 0.898 108 T HN 0.134 nan 8.240 nan 0.000 0.517 109 F N 2.356 122.281 119.950 -0.043 0.000 2.567 109 F HA 0.478 5.005 4.527 -0.000 0.000 0.352 109 F C 1.316 177.178 175.800 0.104 0.000 1.229 109 F CA -2.287 55.739 58.000 0.043 0.000 1.228 109 F CB -0.601 38.446 39.000 0.079 0.000 1.568 109 F HN 0.042 nan 8.300 nan 0.000 0.634 110 L N 0.510 121.871 121.223 0.230 0.000 1.990 110 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 110 L C 2.036 179.001 176.870 0.159 0.000 1.072 110 L CA 1.567 56.520 54.840 0.188 0.000 0.755 110 L CB -0.293 41.829 42.059 0.105 0.000 0.889 110 L HN 0.313 nan 8.230 nan 0.000 0.432 111 E N -0.227 119.982 120.200 0.015 0.000 2.031 111 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 111 E C 2.135 178.668 176.600 -0.113 0.000 0.994 111 E CA 1.855 58.101 56.400 -0.257 0.000 0.800 111 E CB -0.712 28.537 29.700 -0.753 0.000 0.752 111 E HN 0.337 nan 8.360 nan 0.000 0.447 112 T N 0.784 115.377 114.554 0.064 0.000 2.665 112 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 112 T C 1.319 176.233 174.700 0.356 0.000 1.035 112 T CA 1.397 63.611 62.100 0.190 0.000 1.151 112 T CB -0.442 68.517 68.868 0.151 0.000 0.862 112 T HN 0.386 nan 8.240 nan 0.000 0.438 113 W N 2.426 123.837 121.300 0.184 0.000 2.354 113 W HA -0.150 4.510 4.660 -0.000 0.000 0.315 113 W C 1.827 178.428 176.519 0.135 0.000 1.206 113 W CA 1.087 58.545 57.345 0.189 0.000 1.290 113 W CB -0.490 29.075 29.460 0.174 0.000 1.152 113 W HN 0.219 nan 8.180 nan 0.000 0.489 114 N N 0.972 119.795 118.700 0.206 0.000 2.223 114 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 114 N C 1.751 177.241 175.510 -0.033 0.000 1.016 114 N CA 1.895 54.974 53.050 0.049 0.000 0.863 114 N CB -0.771 37.769 38.487 0.089 0.000 0.983 114 N HN 0.301 nan 8.380 nan 0.000 0.429 115 I N 0.536 121.114 120.570 0.013 0.000 2.315 115 I HA -0.140 4.029 4.170 -0.000 0.000 0.248 115 I C 2.370 178.438 176.117 -0.082 0.000 1.117 115 I CA 0.985 62.292 61.300 0.011 0.000 1.404 115 I CB -0.498 37.580 38.000 0.128 0.000 1.071 115 I HN 0.125 nan 8.210 nan 0.000 0.419 116 G N 0.494 109.236 108.800 -0.095 0.000 2.422 116 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 116 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 116 G C 1.700 176.426 174.900 -0.290 0.000 1.146 116 G CA 0.831 45.765 45.100 -0.278 0.000 0.769 116 G HN 0.247 nan 8.290 nan 0.000 0.547 117 V N 1.011 120.735 119.914 -0.317 0.000 2.407 117 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 117 V C 2.764 178.779 176.094 -0.132 0.000 1.055 117 V CA 1.460 63.614 62.300 -0.243 0.000 1.049 117 V CB -0.330 31.370 31.823 -0.205 0.000 0.662 117 V HN 0.396 nan 8.190 nan 0.000 0.455 118 I N -0.611 119.894 120.570 -0.108 0.000 2.226 118 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 118 I C 2.308 178.369 176.117 -0.092 0.000 1.100 118 I CA 1.473 62.730 61.300 -0.072 0.000 1.374 118 I CB -0.268 37.703 38.000 -0.049 0.000 1.057 118 I HN 0.251 nan 8.210 nan 0.000 0.413 119 L N -0.231 120.910 121.223 -0.137 0.000 2.046 119 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 119 L C 2.536 179.310 176.870 -0.159 0.000 1.077 119 L CA 1.006 55.749 54.840 -0.161 0.000 0.747 119 L CB -0.497 41.420 42.059 -0.237 0.000 0.896 119 L HN 0.284 nan 8.230 nan 0.000 0.432 120 L N -0.278 120.862 121.223 -0.139 0.000 2.046 120 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 120 L C 2.267 179.117 176.870 -0.034 0.000 1.077 120 L CA 1.770 56.555 54.840 -0.092 0.000 0.747 120 L CB -0.386 41.655 42.059 -0.030 0.000 0.896 120 L HN 0.110 nan 8.230 nan 0.000 0.432 121 L N -1.391 119.817 121.223 -0.025 0.000 2.093 121 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 121 L C 2.271 179.136 176.870 -0.009 0.000 1.085 121 L CA 1.563 56.405 54.840 0.004 0.000 0.755 121 L CB -0.912 41.144 42.059 -0.005 0.000 0.904 121 L HN 0.257 nan 8.230 nan 0.000 0.435 122 T N -0.901 113.623 114.554 -0.050 0.000 2.821 122 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 122 T C 1.994 176.641 174.700 -0.088 0.000 1.046 122 T CA 1.063 63.128 62.100 -0.058 0.000 1.139 122 T CB -0.113 68.711 68.868 -0.072 0.000 0.871 122 T HN 0.043 nan 8.240 nan 0.000 0.454 123 V N 1.517 121.323 119.914 -0.181 0.000 2.358 123 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 123 V C 2.474 178.505 176.094 -0.105 0.000 1.047 123 V CA 1.521 63.609 62.300 -0.353 0.000 1.035 123 V CB -0.591 30.780 31.823 -0.752 0.000 0.658 123 V HN 0.474 nan 8.190 nan 0.000 0.452 124 M N -0.144 119.517 119.600 0.102 0.000 2.086 124 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 124 M C 2.417 178.932 176.300 0.357 0.000 1.067 124 M CA 2.255 57.807 55.300 0.420 0.000 1.116 124 M CB -0.600 32.206 32.600 0.345 0.000 1.348 124 M HN 0.397 nan 8.290 nan 0.000 0.407 125 A N -0.222 122.713 122.820 0.191 0.000 1.902 125 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 125 A C 2.176 179.898 177.584 0.230 0.000 1.181 125 A CA 2.277 54.448 52.037 0.222 0.000 0.623 125 A CB -1.174 17.887 19.000 0.102 0.000 0.818 125 A HN 0.475 nan 8.150 nan 0.000 0.443 126 T N 0.242 114.876 114.554 0.132 0.000 2.708 126 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 126 T C 2.228 177.084 174.700 0.260 0.000 1.037 126 T CA 1.709 63.892 62.100 0.137 0.000 1.146 126 T CB -0.459 68.396 68.868 -0.021 0.000 0.865 126 T HN 0.603 nan 8.240 nan 0.000 0.435 127 A N 1.233 124.190 122.820 0.228 0.000 1.969 127 A HA -0.005 4.314 4.320 -0.000 0.000 0.218 127 A C 1.994 179.781 177.584 0.339 0.000 1.169 127 A CA 1.336 53.524 52.037 0.251 0.000 0.635 127 A CB -0.881 18.257 19.000 0.229 0.000 0.810 127 A HN 0.509 nan 8.150 nan 0.000 0.445 128 F N 0.764 120.904 119.950 0.317 0.000 2.069 128 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 128 F C 2.123 178.074 175.800 0.251 0.000 1.113 128 F CA 2.091 60.291 58.000 0.333 0.000 1.214 128 F CB -0.699 38.446 39.000 0.241 0.000 0.978 128 F HN 0.180 nan 8.300 nan 0.000 0.474 129 M N 0.358 119.693 119.600 -0.442 0.000 2.213 129 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 129 M C 2.444 178.570 176.300 -0.290 0.000 1.062 129 M CA 1.579 56.541 55.300 -0.564 0.000 1.105 129 M CB -1.238 31.097 32.600 -0.441 0.000 1.385 129 M HN 0.381 nan 8.290 nan 0.000 0.417 130 G N -0.853 107.714 108.800 -0.388 0.000 2.408 130 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 130 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 130 G C 1.296 176.100 174.900 -0.159 0.000 1.150 130 G CA 0.388 45.038 45.100 -0.750 0.000 0.776 130 G HN 0.383 nan 8.290 nan 0.000 0.542 131 Y N 1.188 121.430 120.300 -0.097 0.000 2.403 131 Y HA -0.020 4.530 4.550 -0.000 0.000 0.291 131 Y C 2.643 178.568 175.900 0.042 0.000 1.143 131 Y CA 0.493 58.601 58.100 0.013 0.000 1.257 131 Y CB 0.051 38.577 38.460 0.110 0.000 0.984 131 Y HN 0.063 nan 8.280 nan 0.000 0.550 132 V N -0.328 119.620 119.914 0.056 0.000 2.719 132 V HA -0.248 3.872 4.120 -0.000 0.000 0.252 132 V C 2.346 178.542 176.094 0.171 0.000 1.065 132 V CA 1.149 63.507 62.300 0.097 0.000 1.086 132 V CB -0.567 31.384 31.823 0.213 0.000 0.700 132 V HN 0.348 nan 8.190 nan 0.000 0.467 133 L N 1.069 122.326 121.223 0.057 0.000 2.043 133 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 133 L C 0.105 177.065 176.870 0.150 0.000 1.075 133 L CA 1.772 56.632 54.840 0.034 0.000 0.752 133 L CB -2.047 39.824 42.059 -0.314 0.000 0.891 133 L HN 0.398 nan 8.230 nan 0.000 0.432 134 P HA -0.238 nan 4.420 nan 0.000 0.234 134 P C 0.424 177.915 177.300 0.319 0.000 1.167 134 P CA 0.580 63.741 63.100 0.102 0.000 0.763 134 P CB -0.174 31.470 31.700 -0.093 0.000 0.835 135 W N 0.431 121.759 121.300 0.048 0.000 5.770 135 W HA -0.156 4.504 4.660 -0.000 0.000 0.389 135 W C -0.022 176.587 176.519 0.151 0.000 1.469 135 W CA 0.170 57.565 57.345 0.083 0.000 0.975 135 W CB -1.390 28.127 29.460 0.095 0.000 2.622 135 W HN -0.022 nan 8.180 nan 0.000 1.500 136 G N 0.430 109.307 108.800 0.129 0.000 2.532 136 G HA2 0.165 4.125 3.960 -0.000 0.000 0.291 136 G HA3 0.165 4.125 3.960 -0.000 0.000 0.291 136 G C 0.586 175.432 174.900 -0.091 0.000 1.349 136 G CA 0.036 45.208 45.100 0.120 0.000 1.038 136 G HN 0.211 nan 8.290 nan 0.000 0.518 137 Q N -0.978 118.809 119.800 -0.021 0.000 2.084 137 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 137 Q C 2.726 178.797 176.000 0.119 0.000 0.978 137 Q CA 1.134 56.965 55.803 0.045 0.000 0.844 137 Q CB -0.221 28.606 28.738 0.148 0.000 0.898 137 Q HN 0.439 nan 8.270 nan 0.000 0.426 138 M N 0.016 119.655 119.600 0.066 0.000 2.229 138 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 138 M C 2.183 178.462 176.300 -0.035 0.000 1.063 138 M CA 0.990 56.351 55.300 0.102 0.000 1.114 138 M CB -0.943 31.743 32.600 0.143 0.000 1.387 138 M HN 0.020 nan 8.290 nan 0.000 0.420 139 S N 0.718 116.263 115.700 -0.258 0.000 2.353 139 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 139 S C 1.760 176.225 174.600 -0.224 0.000 1.035 139 S CA 1.358 59.409 58.200 -0.248 0.000 1.025 139 S CB -0.566 62.516 63.200 -0.195 0.000 0.902 139 S HN 0.426 nan 8.310 nan 0.000 0.440 140 F N 0.604 120.184 119.950 -0.617 0.000 2.102 140 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 140 F C 1.803 177.136 175.800 -0.779 0.000 1.105 140 F CA 1.350 58.766 58.000 -0.974 0.000 1.239 140 F CB -0.330 37.840 39.000 -1.384 0.000 0.991 140 F HN 0.238 nan 8.300 nan 0.000 0.474 141 W N -0.091 121.224 121.300 0.024 0.000 2.467 141 W HA 0.089 4.749 4.660 -0.000 0.000 0.275 141 W C 2.560 179.100 176.519 0.035 0.000 1.239 141 W CA 0.821 58.183 57.345 0.028 0.000 1.266 141 W CB -0.996 28.515 29.460 0.086 0.000 1.112 141 W HN 0.078 nan 8.180 nan 0.000 0.576 142 G N 0.397 109.335 108.800 0.230 0.000 2.402 142 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 142 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 142 G C 1.678 176.808 174.900 0.383 0.000 1.162 142 G CA 1.161 46.448 45.100 0.311 0.000 0.777 142 G HN 0.259 nan 8.290 nan 0.000 0.539 143 A N 0.329 123.336 122.820 0.312 0.000 1.933 143 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 143 A C 2.519 180.263 177.584 0.266 0.000 1.175 143 A CA 2.443 54.726 52.037 0.410 0.000 0.628 143 A CB -0.896 18.091 19.000 -0.022 0.000 0.814 143 A HN 0.299 nan 8.150 nan 0.000 0.444 144 T N -0.353 114.184 114.554 -0.029 0.000 2.643 144 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 144 T C 1.938 176.826 174.700 0.313 0.000 1.045 144 T CA 1.712 63.873 62.100 0.102 0.000 1.155 144 T CB -0.547 68.323 68.868 0.003 0.000 0.863 144 T HN 0.147 nan 8.240 nan 0.000 0.420 145 V N 1.514 121.572 119.914 0.241 0.000 2.233 145 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 145 V C 2.455 178.596 176.094 0.078 0.000 1.050 145 V CA 1.707 64.111 62.300 0.172 0.000 1.010 145 V CB -0.694 31.217 31.823 0.146 0.000 0.637 145 V HN 0.454 nan 8.190 nan 0.000 0.444 146 I N 0.052 120.605 120.570 -0.028 0.000 2.208 146 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 146 I C 2.510 178.568 176.117 -0.099 0.000 1.097 146 I CA 1.998 63.154 61.300 -0.240 0.000 1.363 146 I CB -0.697 36.816 38.000 -0.812 0.000 1.051 146 I HN 0.344 nan 8.210 nan 0.000 0.413 147 T N 0.253 114.889 114.554 0.136 0.000 2.867 147 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 147 T C 1.681 176.385 174.700 0.007 0.000 1.057 147 T CA 1.021 63.227 62.100 0.175 0.000 1.136 147 T CB -0.303 68.813 68.868 0.413 0.000 0.874 147 T HN 0.261 nan 8.240 nan 0.000 0.466 148 N N 1.121 119.859 118.700 0.063 0.000 2.520 148 N HA 0.085 4.825 4.740 -0.000 0.000 0.185 148 N C 1.644 177.140 175.510 -0.023 0.000 1.068 148 N CA 0.317 53.368 53.050 0.001 0.000 0.911 148 N CB -0.325 38.231 38.487 0.115 0.000 0.961 148 N HN 0.414 nan 8.380 nan 0.000 0.446 149 L N 0.258 121.462 121.223 -0.032 0.000 2.079 149 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 149 L C 2.013 178.853 176.870 -0.050 0.000 1.081 149 L CA 0.853 55.664 54.840 -0.048 0.000 0.752 149 L CB -0.374 41.638 42.059 -0.078 0.000 0.896 149 L HN 0.161 nan 8.230 nan 0.000 0.433 150 L N -0.342 120.849 121.223 -0.054 0.000 2.265 150 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 150 L C 2.680 179.514 176.870 -0.059 0.000 1.117 150 L CA 1.196 56.005 54.840 -0.051 0.000 0.782 150 L CB -0.581 41.452 42.059 -0.044 0.000 0.914 150 L HN 0.400 nan 8.230 nan 0.000 0.441 151 S N -0.269 115.389 115.700 -0.069 0.000 2.547 151 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 151 S C 1.941 176.510 174.600 -0.052 0.000 0.980 151 S CA 0.622 58.785 58.200 -0.061 0.000 0.941 151 S CB -0.165 63.003 63.200 -0.052 0.000 0.763 151 S HN 0.349 nan 8.310 nan 0.000 0.532 152 A N 1.205 123.994 122.820 -0.053 0.000 2.119 152 A HA 0.370 4.690 4.320 -0.000 0.000 0.216 152 A C 0.932 178.469 177.584 -0.079 0.000 1.152 152 A CA -0.024 51.976 52.037 -0.061 0.000 0.708 152 A CB -0.548 18.419 19.000 -0.054 0.000 0.805 152 A HN 0.626 nan 8.150 nan 0.000 0.460 153 I N 1.716 122.244 120.570 -0.071 0.000 2.587 153 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 153 I C -2.258 173.791 176.117 -0.114 0.000 1.134 153 I CA -1.714 59.539 61.300 -0.078 0.000 1.410 153 I CB 0.703 38.675 38.000 -0.048 0.000 1.392 153 I HN 0.054 nan 8.210 nan 0.000 0.545 154 P HA 0.012 nan 4.420 nan 0.000 0.268 154 P C -0.185 176.937 177.300 -0.297 0.000 1.208 154 P CA 0.375 63.227 63.100 -0.414 0.000 0.777 154 P CB 0.247 31.541 31.700 -0.675 0.000 0.875 155 Y N -0.041 120.250 120.300 -0.016 0.000 2.818 155 Y HA -0.345 4.205 4.550 -0.000 0.000 0.487 155 Y C 1.497 177.387 175.900 -0.016 0.000 1.146 155 Y CA 1.298 59.389 58.100 -0.015 0.000 2.839 155 Y CB -1.772 36.677 38.460 -0.019 0.000 0.893 155 Y HN 0.394 nan 8.280 nan 0.000 0.545 156 I N -2.554 118.087 120.570 0.119 0.000 4.154 156 I HA 0.496 4.666 4.170 -0.000 0.000 0.334 156 I C 1.948 178.072 176.117 0.012 0.000 1.371 156 I CA 0.641 61.973 61.300 0.053 0.000 1.110 156 I CB 0.094 38.112 38.000 0.030 0.000 1.085 156 I HN 0.194 nan 8.210 nan 0.000 0.398 157 G N 2.072 110.867 108.800 -0.008 0.000 2.529 157 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 157 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 157 G C 1.443 176.321 174.900 -0.037 0.000 1.177 157 G CA 2.050 47.132 45.100 -0.030 0.000 0.773 157 G HN 0.403 nan 8.290 nan 0.000 0.573 158 T N 1.126 115.668 114.554 -0.020 0.000 2.788 158 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 158 T C 2.269 176.964 174.700 -0.007 0.000 1.044 158 T CA 1.190 63.278 62.100 -0.020 0.000 1.139 158 T CB -0.257 68.628 68.868 0.029 0.000 0.867 158 T HN 0.351 nan 8.240 nan 0.000 0.454 159 N N 1.268 119.982 118.700 0.022 0.000 2.142 159 N HA 0.016 4.756 4.740 -0.000 0.000 0.186 159 N C 1.946 177.490 175.510 0.058 0.000 1.023 159 N CA 0.880 53.956 53.050 0.043 0.000 0.852 159 N CB -0.317 38.187 38.487 0.028 0.000 0.998 159 N HN 0.334 nan 8.380 nan 0.000 0.424 160 L N 1.051 122.293 121.223 0.032 0.000 2.046 160 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 160 L C 2.383 179.302 176.870 0.082 0.000 1.077 160 L CA 0.835 55.735 54.840 0.099 0.000 0.747 160 L CB -0.367 41.719 42.059 0.046 0.000 0.896 160 L HN -0.032 nan 8.230 nan 0.000 0.432 161 V N -0.204 119.637 119.914 -0.121 0.000 2.295 161 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 161 V C 2.308 178.094 176.094 -0.513 0.000 1.049 161 V CA 1.851 63.885 62.300 -0.445 0.000 1.024 161 V CB -0.509 30.911 31.823 -0.672 0.000 0.648 161 V HN 0.477 nan 8.190 nan 0.000 0.447 162 E N -1.187 118.881 120.200 -0.219 0.000 2.150 162 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 162 E C 1.938 178.584 176.600 0.076 0.000 0.985 162 E CA 1.520 57.907 56.400 -0.023 0.000 0.814 162 E CB -0.230 29.477 29.700 0.012 0.000 0.752 162 E HN 0.782 nan 8.360 nan 0.000 0.466 163 W N 1.566 122.829 121.300 -0.062 0.000 2.381 163 W HA -0.141 4.519 4.660 -0.000 0.000 0.301 163 W C 1.750 178.308 176.519 0.065 0.000 1.205 163 W CA 0.940 58.283 57.345 -0.004 0.000 1.285 163 W CB -0.047 29.410 29.460 -0.005 0.000 1.133 163 W HN -0.072 nan 8.180 nan 0.000 0.521 164 I N -0.402 120.155 120.570 -0.020 0.000 2.226 164 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 164 I C 1.971 178.163 176.117 0.124 0.000 1.100 164 I CA 1.421 62.689 61.300 -0.053 0.000 1.374 164 I CB -1.762 36.299 38.000 0.101 0.000 1.057 164 I HN 0.131 nan 8.210 nan 0.000 0.413 165 W N 0.889 122.177 121.300 -0.020 0.000 2.436 165 W HA 0.091 4.751 4.660 -0.000 0.000 0.284 165 W C 1.881 178.323 176.519 -0.128 0.000 1.225 165 W CA 1.351 58.649 57.345 -0.078 0.000 1.271 165 W CB -1.085 28.344 29.460 -0.051 0.000 1.114 165 W HN 0.426 nan 8.180 nan 0.000 0.559 166 G N 0.082 108.932 108.800 0.083 0.000 2.147 166 G HA2 0.051 4.011 3.960 -0.000 0.000 0.244 166 G HA3 0.051 4.011 3.960 -0.000 0.000 0.244 166 G C 0.426 175.307 174.900 -0.031 0.000 1.005 166 G CA 0.406 45.491 45.100 -0.024 0.000 0.713 166 G HN 0.735 nan 8.290 nan 0.000 0.515 167 G N -2.329 106.468 108.800 -0.006 0.000 2.341 167 G HA2 0.544 4.504 3.960 -0.000 0.000 0.299 167 G HA3 0.544 4.504 3.960 -0.000 0.000 0.299 167 G C -0.103 174.743 174.900 -0.089 0.000 1.274 167 G CA 0.029 45.049 45.100 -0.134 0.000 0.853 167 G HN 0.375 nan 8.290 nan 0.000 0.493 168 F N 1.662 121.750 119.950 0.231 0.000 2.797 168 F HA 0.425 4.952 4.527 -0.000 0.000 0.302 168 F C 1.488 177.480 175.800 0.321 0.000 1.130 168 F CA 0.396 58.569 58.000 0.288 0.000 1.387 168 F CB 0.352 39.459 39.000 0.178 0.000 1.107 168 F HN 0.582 nan 8.300 nan 0.000 0.577 169 S N -2.285 113.540 115.700 0.208 0.000 2.611 169 S HA 0.522 4.992 4.470 -0.000 0.000 0.268 169 S C -0.990 173.172 174.600 -0.729 0.000 1.156 169 S CA -1.170 56.816 58.200 -0.357 0.000 0.817 169 S CB 1.160 64.301 63.200 -0.098 0.000 1.122 169 S HN -0.268 nan 8.310 nan 0.000 0.466 170 V N 2.208 121.387 119.914 -1.225 0.000 2.585 170 V HA 0.423 4.543 4.120 -0.000 0.000 0.296 170 V C 0.123 176.058 176.094 -0.265 0.000 1.035 170 V CA 0.938 62.641 62.300 -0.994 0.000 1.084 170 V CB 0.575 31.617 31.823 -1.302 0.000 0.953 170 V HN 0.960 nan 8.190 nan 0.000 0.483 171 D N 2.300 122.639 120.400 -0.102 0.000 3.103 171 D HA 0.248 4.888 4.640 -0.000 0.000 0.337 171 D C 0.874 177.111 176.300 -0.105 0.000 1.356 171 D CA -0.679 53.354 54.000 0.057 0.000 0.951 171 D CB 1.176 41.974 40.800 -0.002 0.000 1.438 171 D HN 0.270 nan 8.370 nan 0.000 0.562 172 K N 0.148 120.456 120.400 -0.153 0.000 2.034 172 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 172 K C 1.870 178.327 176.600 -0.239 0.000 1.051 172 K CA 2.004 58.135 56.287 -0.260 0.000 0.931 172 K CB -0.337 32.055 32.500 -0.181 0.000 0.715 172 K HN 0.352 nan 8.250 nan 0.000 0.446 173 A N 1.084 123.807 122.820 -0.162 0.000 1.948 173 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 173 A C 2.243 179.718 177.584 -0.182 0.000 1.177 173 A CA 2.316 54.267 52.037 -0.143 0.000 0.636 173 A CB -1.041 17.901 19.000 -0.096 0.000 0.815 173 A HN 0.371 nan 8.150 nan 0.000 0.449 174 T N -0.119 114.298 114.554 -0.228 0.000 2.701 174 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 174 T C 1.837 176.265 174.700 -0.454 0.000 1.040 174 T CA 1.383 63.263 62.100 -0.367 0.000 1.147 174 T CB -0.409 68.192 68.868 -0.445 0.000 0.865 174 T HN 0.296 nan 8.240 nan 0.000 0.426 175 L N 1.362 122.333 121.223 -0.421 0.000 2.012 175 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 175 L C 2.498 179.281 176.870 -0.146 0.000 1.073 175 L CA 1.928 56.548 54.840 -0.368 0.000 0.748 175 L CB -1.405 40.186 42.059 -0.780 0.000 0.891 175 L HN 0.212 nan 8.230 nan 0.000 0.431 176 T N 0.522 114.973 114.554 -0.171 0.000 2.746 176 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 176 T C 1.815 176.479 174.700 -0.061 0.000 1.039 176 T CA 1.778 63.841 62.100 -0.063 0.000 1.142 176 T CB -0.297 68.509 68.868 -0.102 0.000 0.866 176 T HN 0.550 nan 8.240 nan 0.000 0.444 177 R N 0.039 120.432 120.500 -0.178 0.000 2.115 177 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 177 R C 1.877 177.843 176.300 -0.557 0.000 1.100 177 R CA 1.111 56.940 56.100 -0.451 0.000 0.980 177 R CB -0.750 29.247 30.300 -0.505 0.000 0.875 177 R HN 0.241 nan 8.270 nan 0.000 0.445 178 F N 0.944 120.683 119.950 -0.352 0.000 2.186 178 F HA -0.066 4.461 4.527 0.000 0.000 0.299 178 F C 2.091 177.933 175.800 0.070 0.000 1.090 178 F CA 0.158 58.093 58.000 -0.109 0.000 1.307 178 F CB -0.762 38.231 39.000 -0.011 0.000 1.019 178 F HN -0.038 nan 8.300 nan 0.000 0.489 179 F N 0.860 120.881 119.950 0.118 0.000 2.134 179 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 179 F C 2.273 178.185 175.800 0.187 0.000 1.097 179 F CA 1.169 59.275 58.000 0.176 0.000 1.264 179 F CB -1.017 38.116 39.000 0.222 0.000 1.001 179 F HN -0.082 nan 8.300 nan 0.000 0.479 180 A N 0.171 122.941 122.820 -0.083 0.000 1.877 180 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 180 A C 2.134 179.751 177.584 0.055 0.000 1.186 180 A CA 1.687 53.603 52.037 -0.203 0.000 0.620 180 A CB -1.418 17.425 19.000 -0.261 0.000 0.822 180 A HN 0.357 nan 8.150 nan 0.000 0.443 181 F N -0.465 119.528 119.950 0.072 0.000 2.102 181 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 181 F C 2.259 178.106 175.800 0.078 0.000 1.105 181 F CA 1.323 59.347 58.000 0.040 0.000 1.239 181 F CB -1.526 37.450 39.000 -0.040 0.000 0.991 181 F HN 0.509 nan 8.300 nan 0.000 0.474 182 H N -0.947 118.249 119.070 0.211 0.000 2.421 182 H HA -0.204 4.352 4.556 -0.000 0.000 0.298 182 H C 2.071 177.497 175.328 0.165 0.000 1.087 182 H CA 1.534 57.669 56.048 0.145 0.000 1.330 182 H CB -0.468 29.380 29.762 0.144 0.000 1.388 182 H HN 0.118 nan 8.280 nan 0.000 0.526 183 F N -0.355 119.592 119.950 -0.005 0.000 2.113 183 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 183 F C 2.196 178.042 175.800 0.077 0.000 1.103 183 F CA 1.104 59.069 58.000 -0.058 0.000 1.248 183 F CB -0.433 38.417 39.000 -0.251 0.000 0.999 183 F HN 0.286 nan 8.300 nan 0.000 0.475 184 I N -0.773 120.051 120.570 0.422 0.000 2.703 184 I HA -0.070 4.100 4.170 -0.000 0.000 0.259 184 I C 1.990 178.266 176.117 0.264 0.000 1.151 184 I CA 0.731 62.270 61.300 0.398 0.000 1.470 184 I CB -0.712 37.426 38.000 0.229 0.000 1.112 184 I HN 0.088 nan 8.210 nan 0.000 0.437 185 L N 1.857 123.155 121.223 0.125 0.000 2.081 185 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 185 L C -0.583 176.262 176.870 -0.041 0.000 1.080 185 L CA 2.378 57.238 54.840 0.032 0.000 0.754 185 L CB -1.932 40.127 42.059 0.001 0.000 0.893 185 L HN 0.159 nan 8.230 nan 0.000 0.433 186 P HA -0.131 nan 4.420 nan 0.000 0.220 186 P C 1.423 178.529 177.300 -0.325 0.000 1.148 186 P CA 1.348 64.269 63.100 -0.299 0.000 0.803 186 P CB -0.063 31.346 31.700 -0.484 0.000 0.782 187 F N -1.503 118.437 119.950 -0.016 0.000 2.293 187 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 187 F C 2.159 177.961 175.800 0.003 0.000 1.089 187 F CA 0.828 58.830 58.000 0.002 0.000 1.377 187 F CB -0.950 38.065 39.000 0.025 0.000 1.051 187 F HN -0.171 nan 8.300 nan 0.000 0.511 188 I N -0.318 120.337 120.570 0.141 0.000 2.353 188 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 188 I C 2.242 178.377 176.117 0.030 0.000 1.119 188 I CA 1.152 62.500 61.300 0.080 0.000 1.417 188 I CB -0.350 37.683 38.000 0.055 0.000 1.078 188 I HN 0.062 nan 8.210 nan 0.000 0.421 189 I N 0.216 120.779 120.570 -0.011 0.000 2.226 189 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 189 I C 2.646 178.751 176.117 -0.019 0.000 1.100 189 I CA 1.541 62.818 61.300 -0.039 0.000 1.374 189 I CB -0.225 37.728 38.000 -0.078 0.000 1.057 189 I HN 0.315 nan 8.210 nan 0.000 0.413 190 M N 0.587 120.180 119.600 -0.013 0.000 2.159 190 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 190 M C 2.344 178.663 176.300 0.032 0.000 1.063 190 M CA 2.134 57.438 55.300 0.006 0.000 1.110 190 M CB -0.089 32.521 32.600 0.017 0.000 1.374 190 M HN 0.246 nan 8.290 nan 0.000 0.411 191 A N 0.519 123.369 122.820 0.049 0.000 1.929 191 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 191 A C 1.939 179.551 177.584 0.046 0.000 1.176 191 A CA 1.365 53.431 52.037 0.049 0.000 0.628 191 A CB -0.873 18.161 19.000 0.057 0.000 0.816 191 A HN 0.617 nan 8.150 nan 0.000 0.444 192 I N -0.268 120.324 120.570 0.037 0.000 2.315 192 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 192 I C 2.883 179.034 176.117 0.057 0.000 1.117 192 I CA 0.919 62.244 61.300 0.042 0.000 1.404 192 I CB -0.276 37.730 38.000 0.009 0.000 1.071 192 I HN 0.349 nan 8.210 nan 0.000 0.419 193 A N 0.667 123.507 122.820 0.033 0.000 1.969 193 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 193 A C 2.348 179.992 177.584 0.101 0.000 1.169 193 A CA 1.370 53.442 52.037 0.059 0.000 0.635 193 A CB -0.487 18.524 19.000 0.019 0.000 0.810 193 A HN 0.326 nan 8.150 nan 0.000 0.445 194 M N -0.791 118.840 119.600 0.052 0.000 2.175 194 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 194 M C 2.017 178.329 176.300 0.019 0.000 1.063 194 M CA 1.188 56.497 55.300 0.016 0.000 1.119 194 M CB -0.344 32.258 32.600 0.004 0.000 1.377 194 M HN 0.250 nan 8.290 nan 0.000 0.415 195 V N -0.648 119.313 119.914 0.077 0.000 2.427 195 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 195 V C 2.236 178.476 176.094 0.243 0.000 1.051 195 V CA 2.128 64.503 62.300 0.125 0.000 1.048 195 V CB -0.973 30.964 31.823 0.189 0.000 0.666 195 V HN 0.466 nan 8.190 nan 0.000 0.456 196 H N 0.294 119.437 119.070 0.121 0.000 2.319 196 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 196 H C 2.045 177.425 175.328 0.087 0.000 1.097 196 H CA 2.138 58.266 56.048 0.133 0.000 1.285 196 H CB -0.275 29.536 29.762 0.082 0.000 1.368 196 H HN 0.319 nan 8.280 nan 0.000 0.495 197 L N -0.407 120.812 121.223 -0.007 0.000 2.093 197 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 197 L C 2.511 179.115 176.870 -0.443 0.000 1.085 197 L CA 0.729 55.412 54.840 -0.261 0.000 0.755 197 L CB -0.269 41.620 42.059 -0.284 0.000 0.904 197 L HN 0.338 nan 8.230 nan 0.000 0.435 198 L N -1.574 119.474 121.223 -0.293 0.000 2.046 198 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 198 L C 2.487 179.194 176.870 -0.273 0.000 1.077 198 L CA 1.348 55.995 54.840 -0.322 0.000 0.747 198 L CB -0.491 41.391 42.059 -0.295 0.000 0.896 198 L HN 0.160 nan 8.230 nan 0.000 0.432 199 F N -0.415 119.470 119.950 -0.108 0.000 2.186 199 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 199 F C 2.256 177.971 175.800 -0.141 0.000 1.090 199 F CA 1.037 58.989 58.000 -0.080 0.000 1.307 199 F CB -0.426 38.556 39.000 -0.030 0.000 1.019 199 F HN -0.028 nan 8.300 nan 0.000 0.489 200 L N -0.173 121.034 121.223 -0.027 0.000 2.046 200 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 200 L C 2.292 179.132 176.870 -0.049 0.000 1.077 200 L CA 2.073 56.834 54.840 -0.130 0.000 0.747 200 L CB -1.058 40.932 42.059 -0.114 0.000 0.896 200 L HN 0.240 nan 8.230 nan 0.000 0.432 201 H N -1.170 117.823 119.070 -0.127 0.000 2.489 201 H HA -0.106 4.450 4.556 -0.000 0.000 0.295 201 H C 1.668 176.927 175.328 -0.114 0.000 1.082 201 H CA 0.619 56.599 56.048 -0.112 0.000 1.295 201 H CB 0.361 30.065 29.762 -0.097 0.000 1.380 201 H HN 0.411 nan 8.280 nan 0.000 0.548 202 E N -0.009 120.190 120.200 -0.002 0.000 2.150 202 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 202 E C 2.264 178.826 176.600 -0.063 0.000 0.985 202 E CA 1.569 57.951 56.400 -0.031 0.000 0.814 202 E CB -0.069 29.620 29.700 -0.017 0.000 0.752 202 E HN 0.642 nan 8.360 nan 0.000 0.466 203 T N -3.427 111.031 114.554 -0.161 0.000 2.990 203 T HA 0.417 4.767 4.350 -0.000 0.000 0.249 203 T C 1.052 175.657 174.700 -0.158 0.000 1.039 203 T CA 0.440 62.414 62.100 -0.210 0.000 1.036 203 T CB 0.662 69.209 68.868 -0.534 0.000 0.994 203 T HN 0.273 nan 8.240 nan 0.000 0.489 204 G N 1.125 109.832 108.800 -0.155 0.000 2.796 204 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.571 204 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.571 204 G C -0.419 174.477 174.900 -0.006 0.000 1.370 204 G CA -0.502 44.570 45.100 -0.047 0.000 0.856 204 G HN 0.624 nan 8.290 nan 0.000 0.538 205 S N -0.071 115.699 115.700 0.117 0.000 2.603 205 S HA 0.522 4.992 4.470 -0.000 0.000 0.268 205 S C 0.787 175.605 174.600 0.364 0.000 1.317 205 S CA 0.033 58.407 58.200 0.290 0.000 1.012 205 S CB 1.409 64.755 63.200 0.243 0.000 0.926 205 S HN 0.983 nan 8.310 nan 0.000 0.539 206 N N 0.949 119.978 118.700 0.548 0.000 2.405 206 N HA 0.404 5.144 4.740 -0.000 0.000 0.269 206 N C -0.606 174.992 175.510 0.148 0.000 1.249 206 N CA -0.514 52.742 53.050 0.343 0.000 0.974 206 N CB 0.462 39.099 38.487 0.250 0.000 1.204 206 N HN 0.843 nan 8.380 nan 0.000 0.565 207 N N -2.347 116.341 118.700 -0.020 0.000 2.732 207 N HA 0.482 5.222 4.740 -0.000 0.000 0.259 207 N C -2.655 172.679 175.510 -0.292 0.000 1.402 207 N CA -1.224 51.530 53.050 -0.494 0.000 0.829 207 N CB 1.607 39.864 38.487 -0.383 0.000 1.495 207 N HN 0.159 nan 8.380 nan 0.000 0.511 208 P HA -0.216 nan 4.420 nan 0.000 0.217 208 P C 0.907 178.263 177.300 0.094 0.000 1.148 208 P CA 2.135 65.151 63.100 -0.140 0.000 0.834 208 P CB -0.054 31.575 31.700 -0.117 0.000 0.783 209 T N -5.865 108.677 114.554 -0.021 0.000 3.043 209 T HA 0.197 4.547 4.350 -0.000 0.000 0.263 209 T C 1.699 176.407 174.700 0.013 0.000 1.094 209 T CA 0.784 62.856 62.100 -0.047 0.000 1.127 209 T CB -0.984 67.952 68.868 0.113 0.000 0.905 209 T HN 0.232 nan 8.240 nan 0.000 0.490 210 G N 1.319 110.147 108.800 0.046 0.000 2.162 210 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 210 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 210 G C 0.027 174.954 174.900 0.045 0.000 0.976 210 G CA 0.294 45.414 45.100 0.034 0.000 0.655 210 G HN 0.675 nan 8.290 nan 0.000 0.533 211 I N 1.209 121.826 120.570 0.077 0.000 2.437 211 I HA 0.436 4.606 4.170 -0.000 0.000 0.298 211 I C 1.180 177.330 176.117 0.054 0.000 0.984 211 I CA -0.634 60.717 61.300 0.085 0.000 1.214 211 I CB 1.761 39.838 38.000 0.128 0.000 1.365 211 I HN 0.152 nan 8.210 nan 0.000 0.469 212 S N 3.130 118.861 115.700 0.052 0.000 2.573 212 S HA -0.041 4.429 4.470 -0.000 0.000 0.297 212 S C 0.949 175.572 174.600 0.038 0.000 1.280 212 S CA -0.010 58.221 58.200 0.050 0.000 1.061 212 S CB 0.331 63.561 63.200 0.050 0.000 0.812 212 S HN 0.756 nan 8.310 nan 0.000 0.500 213 S N 2.565 118.284 115.700 0.031 0.000 2.575 213 S HA 0.222 4.692 4.470 -0.000 0.000 0.237 213 S C 0.549 175.158 174.600 0.015 0.000 0.975 213 S CA -0.494 57.713 58.200 0.011 0.000 0.960 213 S CB 0.229 63.420 63.200 -0.015 0.000 0.822 213 S HN 0.711 nan 8.310 nan 0.000 0.472 214 D N 2.417 122.832 120.400 0.025 0.000 2.218 214 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 214 D C 2.050 178.359 176.300 0.015 0.000 0.976 214 D CA 1.281 55.295 54.000 0.022 0.000 0.853 214 D CB -0.075 40.741 40.800 0.027 0.000 0.939 214 D HN 0.567 nan 8.370 nan 0.000 0.481 215 V N -1.796 118.126 119.914 0.013 0.000 3.461 215 V HA 0.050 4.170 4.120 -0.000 0.000 0.267 215 V C 0.383 176.477 176.094 0.001 0.000 1.186 215 V CA 0.685 62.990 62.300 0.008 0.000 1.154 215 V CB 0.014 31.843 31.823 0.010 0.000 0.802 215 V HN -0.158 nan 8.190 nan 0.000 0.474 216 D N 0.503 120.901 120.400 -0.003 0.000 2.968 216 D HA 0.242 4.882 4.640 -0.000 0.000 0.301 216 D C -0.259 176.030 176.300 -0.019 0.000 1.226 216 D CA -0.268 53.722 54.000 -0.017 0.000 0.746 216 D CB 0.363 41.148 40.800 -0.025 0.000 1.278 216 D HN 0.193 nan 8.370 nan 0.000 0.544 217 K N 0.910 121.308 120.400 -0.004 0.000 2.118 217 K HA 0.579 4.899 4.320 -0.000 0.000 0.267 217 K C 0.516 177.122 176.600 0.010 0.000 0.991 217 K CA -0.633 55.661 56.287 0.012 0.000 0.916 217 K CB 1.850 34.366 32.500 0.027 0.000 1.041 217 K HN 0.457 nan 8.250 nan 0.000 0.455 218 I N -1.297 119.293 120.570 0.033 0.000 2.892 218 I HA 0.551 4.721 4.170 -0.000 0.000 0.306 218 I C -2.604 173.603 176.117 0.150 0.000 1.078 218 I CA -2.866 58.451 61.300 0.029 0.000 1.032 218 I CB 2.478 40.375 38.000 -0.172 0.000 1.229 218 I HN 0.261 nan 8.210 nan 0.000 0.435 219 P HA 0.074 nan 4.420 nan 0.000 0.276 219 P C 0.308 177.797 177.300 0.315 0.000 1.230 219 P CA -0.039 63.202 63.100 0.236 0.000 0.776 219 P CB 1.032 32.842 31.700 0.184 0.000 0.888 220 F N 2.672 122.756 119.950 0.223 0.000 2.120 220 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 220 F C 1.230 177.175 175.800 0.241 0.000 1.095 220 F CA 1.584 59.762 58.000 0.297 0.000 1.249 220 F CB -0.308 38.815 39.000 0.205 0.000 0.995 220 F HN 0.410 nan 8.300 nan 0.000 0.480 221 H N 1.060 120.281 119.070 0.251 0.000 2.467 221 H HA 0.280 4.836 4.556 -0.000 0.000 0.326 221 H C -1.827 173.448 175.328 -0.088 0.000 1.094 221 H CA -2.619 53.471 56.048 0.070 0.000 1.253 221 H CB 1.488 31.325 29.762 0.125 0.000 1.439 221 H HN -0.132 nan 8.280 nan 0.000 0.479 222 P HA -0.065 nan 4.420 nan 0.000 0.252 222 P C 0.537 177.472 177.300 -0.609 0.000 1.218 222 P CA 0.503 63.047 63.100 -0.926 0.000 0.807 222 P CB 0.395 31.526 31.700 -0.948 0.000 1.072 223 Y N -0.044 120.010 120.300 -0.409 0.000 2.081 223 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 223 Y C 2.287 177.748 175.900 -0.732 0.000 1.163 223 Y CA 1.778 59.534 58.100 -0.573 0.000 1.135 223 Y CB -1.734 36.303 38.460 -0.706 0.000 0.970 223 Y HN -0.061 nan 8.280 nan 0.000 0.498 224 Y N -0.747 119.321 120.300 -0.388 0.000 2.510 224 Y HA -0.040 4.510 4.550 -0.000 0.000 0.273 224 Y C 2.553 178.109 175.900 -0.573 0.000 1.119 224 Y CA 0.775 58.499 58.100 -0.627 0.000 1.286 224 Y CB -0.961 36.858 38.460 -1.067 0.000 1.061 224 Y HN 0.240 nan 8.280 nan 0.000 0.542 225 T N -1.748 112.615 114.554 -0.318 0.000 2.737 225 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 225 T C 1.939 176.654 174.700 0.025 0.000 1.038 225 T CA 1.366 63.510 62.100 0.073 0.000 1.144 225 T CB -0.653 68.419 68.868 0.340 0.000 0.866 225 T HN 0.192 nan 8.240 nan 0.000 0.434 226 I N 1.318 121.851 120.570 -0.062 0.000 2.439 226 I HA 0.119 4.289 4.170 -0.000 0.000 0.251 226 I C 2.430 178.519 176.117 -0.047 0.000 1.139 226 I CA 1.113 62.379 61.300 -0.057 0.000 1.438 226 I CB -0.460 37.476 38.000 -0.106 0.000 1.085 226 I HN 0.178 nan 8.210 nan 0.000 0.427 227 K N 0.036 120.399 120.400 -0.062 0.000 2.148 227 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 227 K C 1.581 178.187 176.600 0.011 0.000 1.050 227 K CA 1.524 57.798 56.287 -0.021 0.000 0.942 227 K CB -0.037 32.471 32.500 0.013 0.000 0.724 227 K HN 0.272 nan 8.250 nan 0.000 0.446 228 D N 0.580 121.004 120.400 0.039 0.000 2.183 228 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 228 D C 1.734 178.050 176.300 0.027 0.000 0.969 228 D CA 0.837 54.874 54.000 0.061 0.000 0.842 228 D CB 0.051 40.944 40.800 0.154 0.000 0.957 228 D HN 0.230 nan 8.370 nan 0.000 0.484 229 I N 0.197 120.781 120.570 0.024 0.000 2.315 229 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 229 I C 2.160 178.270 176.117 -0.011 0.000 1.117 229 I CA 0.403 61.709 61.300 0.010 0.000 1.404 229 I CB 0.015 38.022 38.000 0.012 0.000 1.071 229 I HN 0.025 nan 8.210 nan 0.000 0.419 230 L N 0.988 122.200 121.223 -0.019 0.000 2.046 230 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 230 L C 2.299 179.144 176.870 -0.041 0.000 1.077 230 L CA 2.154 56.977 54.840 -0.029 0.000 0.747 230 L CB -1.256 40.783 42.059 -0.032 0.000 0.896 230 L HN 0.177 nan 8.230 nan 0.000 0.432 231 G N -1.131 107.638 108.800 -0.052 0.000 2.418 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G C 1.606 176.459 174.900 -0.078 0.000 1.158 231 G CA 0.744 45.789 45.100 -0.091 0.000 0.771 231 G HN 0.626 nan 8.290 nan 0.000 0.545 232 A N 0.511 123.300 122.820 -0.051 0.000 1.933 232 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 232 A C 2.411 179.975 177.584 -0.034 0.000 1.175 232 A CA 1.153 53.165 52.037 -0.042 0.000 0.628 232 A CB -0.370 18.614 19.000 -0.026 0.000 0.814 232 A HN 0.361 nan 8.150 nan 0.000 0.444 233 L N -0.831 120.375 121.223 -0.028 0.000 2.093 233 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 233 L C 2.491 179.352 176.870 -0.015 0.000 1.085 233 L CA 0.992 55.821 54.840 -0.019 0.000 0.755 233 L CB -0.405 41.644 42.059 -0.016 0.000 0.904 233 L HN 0.394 nan 8.230 nan 0.000 0.435 234 L N -0.926 120.283 121.223 -0.024 0.000 2.156 234 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 234 L C 2.469 179.338 176.870 -0.002 0.000 1.095 234 L CA 0.511 55.342 54.840 -0.015 0.000 0.770 234 L CB -0.334 41.705 42.059 -0.032 0.000 0.914 234 L HN 0.254 nan 8.230 nan 0.000 0.439 235 L N 0.160 121.373 121.223 -0.015 0.000 2.027 235 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 235 L C 2.293 179.170 176.870 0.011 0.000 1.074 235 L CA 1.746 56.587 54.840 0.001 0.000 0.745 235 L CB -0.296 41.749 42.059 -0.024 0.000 0.898 235 L HN 0.077 nan 8.230 nan 0.000 0.433 236 I N -0.977 119.591 120.570 -0.002 0.000 2.286 236 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 236 I C 2.345 178.473 176.117 0.018 0.000 1.115 236 I CA 1.093 62.394 61.300 0.001 0.000 1.392 236 I CB -0.340 37.653 38.000 -0.012 0.000 1.065 236 I HN 0.361 nan 8.210 nan 0.000 0.418 237 L N 1.217 122.454 121.223 0.023 0.000 2.017 237 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 237 L C 2.581 179.487 176.870 0.060 0.000 1.073 237 L CA 2.210 57.075 54.840 0.042 0.000 0.745 237 L CB -0.763 41.318 42.059 0.038 0.000 0.894 237 L HN 0.170 nan 8.230 nan 0.000 0.432 238 A N -0.565 122.290 122.820 0.058 0.000 1.902 238 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 238 A C 2.262 179.895 177.584 0.082 0.000 1.181 238 A CA 2.004 54.086 52.037 0.074 0.000 0.623 238 A CB -1.076 17.970 19.000 0.077 0.000 0.818 238 A HN 0.535 nan 8.150 nan 0.000 0.443 239 L N -1.115 120.149 121.223 0.069 0.000 2.017 239 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 239 L C 2.196 179.108 176.870 0.071 0.000 1.073 239 L CA 2.071 56.955 54.840 0.074 0.000 0.745 239 L CB -0.435 41.655 42.059 0.050 0.000 0.894 239 L HN 0.278 nan 8.230 nan 0.000 0.432 240 M N -1.032 118.598 119.600 0.050 0.000 2.394 240 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 240 M C 2.252 178.573 176.300 0.034 0.000 1.073 240 M CA 1.222 56.539 55.300 0.029 0.000 1.111 240 M CB -1.169 31.434 32.600 0.004 0.000 1.401 240 M HN 0.290 nan 8.290 nan 0.000 0.448 241 L N -0.604 120.682 121.223 0.104 0.000 2.056 241 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 241 L C 2.323 179.305 176.870 0.186 0.000 1.078 241 L CA 0.940 55.910 54.840 0.217 0.000 0.749 241 L CB -0.532 41.653 42.059 0.209 0.000 0.901 241 L HN 0.242 nan 8.230 nan 0.000 0.433 242 L N -1.331 119.970 121.223 0.130 0.000 2.005 242 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 242 L C 2.495 179.430 176.870 0.108 0.000 1.072 242 L CA 0.812 55.727 54.840 0.125 0.000 0.744 242 L CB -0.507 41.628 42.059 0.126 0.000 0.895 242 L HN 0.018 nan 8.230 nan 0.000 0.433 243 V N 0.219 120.194 119.914 0.101 0.000 2.295 243 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 243 V C 2.236 178.367 176.094 0.061 0.000 1.049 243 V CA 1.736 64.108 62.300 0.119 0.000 1.024 243 V CB -0.380 31.523 31.823 0.132 0.000 0.648 243 V HN 0.359 nan 8.190 nan 0.000 0.447 244 L N -2.214 118.968 121.223 -0.068 0.000 2.375 244 L HA 0.091 4.431 4.340 -0.000 0.000 0.215 244 L C 1.951 178.581 176.870 -0.400 0.000 1.108 244 L CA 0.940 55.618 54.840 -0.269 0.000 0.830 244 L CB -0.212 41.539 42.059 -0.512 0.000 0.959 244 L HN 0.274 nan 8.230 nan 0.000 0.457 245 F N -0.427 119.548 119.950 0.042 0.000 2.740 245 F HA 0.391 4.918 4.527 -0.000 0.000 0.304 245 F C 1.016 176.816 175.800 -0.001 0.000 1.098 245 F CA -0.280 57.729 58.000 0.015 0.000 1.258 245 F CB 0.346 39.357 39.000 0.017 0.000 1.061 245 F HN -0.134 nan 8.300 nan 0.000 0.598 246 A N 0.641 123.555 122.820 0.156 0.000 3.464 246 A HA 0.375 4.695 4.320 -0.000 0.000 0.243 246 A C -1.939 175.681 177.584 0.059 0.000 1.100 246 A CA -0.524 51.567 52.037 0.090 0.000 0.957 246 A CB -0.315 18.744 19.000 0.098 0.000 1.340 246 A HN -0.058 nan 8.150 nan 0.000 0.645 247 P HA -0.125 nan 4.420 nan 0.000 0.221 247 P C 0.119 177.453 177.300 0.057 0.000 1.145 247 P CA 1.255 64.338 63.100 -0.029 0.000 0.795 247 P CB 0.362 31.860 31.700 -0.337 0.000 0.775 248 D N -1.146 119.284 120.400 0.050 0.000 2.369 248 D HA 0.035 4.675 4.640 -0.000 0.000 0.211 248 D C 1.848 178.234 176.300 0.143 0.000 1.077 248 D CA -0.144 53.948 54.000 0.153 0.000 0.842 248 D CB -0.242 40.647 40.800 0.148 0.000 0.947 248 D HN 0.034 nan 8.370 nan 0.000 0.509 249 L N 0.663 121.947 121.223 0.101 0.000 2.021 249 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 249 L C 1.641 178.563 176.870 0.088 0.000 1.074 249 L CA 1.769 56.657 54.840 0.079 0.000 0.760 249 L CB -0.300 41.792 42.059 0.055 0.000 0.889 249 L HN 0.006 nan 8.230 nan 0.000 0.433 250 L N -0.907 120.389 121.223 0.122 0.000 2.628 250 L HA 0.292 4.632 4.340 -0.000 0.000 0.229 250 L C 1.096 178.102 176.870 0.227 0.000 1.137 250 L CA -0.042 54.892 54.840 0.156 0.000 0.909 250 L CB -0.790 41.383 42.059 0.190 0.000 1.137 250 L HN 0.336 nan 8.230 nan 0.000 0.470 251 G N -1.169 107.757 108.800 0.209 0.000 2.613 251 G HA2 0.257 4.217 3.960 -0.000 0.000 0.303 251 G HA3 0.257 4.217 3.960 -0.000 0.000 0.303 251 G C -1.481 173.543 174.900 0.207 0.000 1.312 251 G CA -0.224 45.009 45.100 0.222 0.000 1.036 251 G HN -0.061 nan 8.290 nan 0.000 0.513 252 D N -0.770 119.773 120.400 0.238 0.000 2.492 252 D HA 0.359 4.999 4.640 -0.000 0.000 0.248 252 D C -1.621 174.842 176.300 0.271 0.000 1.101 252 D CA -1.712 52.423 54.000 0.224 0.000 0.840 252 D CB 2.417 43.349 40.800 0.220 0.000 1.209 252 D HN -0.093 nan 8.370 nan 0.000 0.524 253 P HA -0.102 nan 4.420 nan 0.000 0.217 253 P C 0.658 178.147 177.300 0.314 0.000 1.148 253 P CA 0.763 64.059 63.100 0.326 0.000 0.828 253 P CB 0.404 32.225 31.700 0.201 0.000 0.783 254 D N -1.420 119.114 120.400 0.223 0.000 2.309 254 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 254 D C 1.285 177.690 176.300 0.175 0.000 0.968 254 D CA 0.890 55.002 54.000 0.187 0.000 0.882 254 D CB -0.679 40.215 40.800 0.157 0.000 0.918 254 D HN 0.130 nan 8.370 nan 0.000 0.503 255 N N -0.682 118.109 118.700 0.152 0.000 2.383 255 N HA -0.054 4.686 4.740 -0.000 0.000 0.192 255 N C 0.209 175.745 175.510 0.043 0.000 1.141 255 N CA 0.107 53.181 53.050 0.041 0.000 0.851 255 N CB -0.067 38.365 38.487 -0.091 0.000 0.976 255 N HN 0.163 nan 8.380 nan 0.000 0.465 256 Y N -1.015 119.425 120.300 0.232 0.000 2.468 256 Y HA 0.283 4.833 4.550 -0.000 0.000 0.268 256 Y C 0.222 176.337 175.900 0.358 0.000 1.177 256 Y CA 0.114 58.397 58.100 0.305 0.000 1.265 256 Y CB 0.543 39.129 38.460 0.211 0.000 1.103 256 Y HN -0.178 nan 8.280 nan 0.000 0.522 257 T N 2.536 117.284 114.554 0.322 0.000 2.770 257 T HA 0.310 4.660 4.350 -0.000 0.000 0.283 257 T C -2.624 172.029 174.700 -0.078 0.000 0.988 257 T CA -1.771 60.389 62.100 0.100 0.000 0.957 257 T CB 1.543 70.458 68.868 0.078 0.000 0.930 257 T HN -0.206 nan 8.240 nan 0.000 0.443 258 P HA 0.189 nan 4.420 nan 0.000 0.268 258 P C -0.522 176.601 177.300 -0.294 0.000 1.208 258 P CA -0.356 62.387 63.100 -0.594 0.000 0.777 258 P CB 0.346 31.584 31.700 -0.771 0.000 0.875 259 A N 2.599 125.231 122.820 -0.314 0.000 2.565 259 A HA 0.079 4.399 4.320 -0.000 0.000 0.237 259 A C 0.495 177.786 177.584 -0.488 0.000 1.053 259 A CA 0.598 52.323 52.037 -0.520 0.000 0.755 259 A CB -0.744 17.635 19.000 -1.036 0.000 0.980 259 A HN 0.571 nan 8.150 nan 0.000 0.506 260 N N 3.219 121.640 118.700 -0.466 0.000 2.576 260 N HA 0.306 5.046 4.740 -0.000 0.000 0.269 260 N C -2.044 173.234 175.510 -0.387 0.000 1.058 260 N CA -2.104 50.751 53.050 -0.325 0.000 0.860 260 N CB 1.796 40.216 38.487 -0.111 0.000 1.249 260 N HN 0.264 nan 8.380 nan 0.000 0.525 261 P HA -0.070 nan 4.420 nan 0.000 0.228 261 P C 0.887 178.214 177.300 0.045 0.000 1.151 261 P CA 0.756 63.505 63.100 -0.584 0.000 0.770 261 P CB 0.621 31.995 31.700 -0.542 0.000 0.786 262 L N -1.713 119.527 121.223 0.029 0.000 2.585 262 L HA 0.224 4.564 4.340 -0.000 0.000 0.226 262 L C 1.087 178.001 176.870 0.075 0.000 1.113 262 L CA 0.150 55.032 54.840 0.070 0.000 0.876 262 L CB -0.218 41.845 42.059 0.006 0.000 1.072 262 L HN 0.038 nan 8.230 nan 0.000 0.468 263 N N -0.275 118.502 118.700 0.128 0.000 2.478 263 N HA 0.158 4.898 4.740 -0.000 0.000 0.291 263 N C -1.186 174.255 175.510 -0.115 0.000 1.090 263 N CA -0.170 52.875 53.050 -0.008 0.000 0.911 263 N CB 1.986 40.461 38.487 -0.021 0.000 1.546 263 N HN -0.253 nan 8.380 nan 0.000 0.500 264 T N 3.928 118.166 114.554 -0.527 0.000 2.743 264 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 264 T C -2.443 171.999 174.700 -0.429 0.000 0.945 264 T CA -0.837 60.694 62.100 -0.947 0.000 1.030 264 T CB 1.186 69.334 68.868 -1.199 0.000 0.912 264 T HN 0.392 nan 8.240 nan 0.000 0.483 265 P HA 0.031 nan 4.420 nan 0.000 0.263 265 P C -1.485 175.703 177.300 -0.187 0.000 1.175 265 P CA -1.040 61.981 63.100 -0.133 0.000 0.761 265 P CB 0.257 31.945 31.700 -0.020 0.000 0.794 266 P HA -0.156 nan 4.420 nan 0.000 0.222 266 P C 0.162 177.154 177.300 -0.513 0.000 1.147 266 P CA 1.716 64.581 63.100 -0.391 0.000 0.790 266 P CB 0.051 31.463 31.700 -0.480 0.000 0.780 267 H N -1.116 117.952 119.070 -0.005 0.000 2.467 267 H HA 0.331 4.887 4.556 -0.000 0.000 0.275 267 H C 0.665 176.003 175.328 0.016 0.000 1.131 267 H CA -0.821 55.235 56.048 0.013 0.000 0.989 267 H CB -0.302 29.474 29.762 0.023 0.000 1.696 267 H HN 0.083 nan 8.280 nan 0.000 0.574 268 I N 3.017 123.616 120.570 0.048 0.000 2.826 268 I HA -0.072 4.098 4.170 -0.000 0.000 0.295 268 I C -0.098 176.034 176.117 0.026 0.000 1.213 268 I CA 0.560 61.886 61.300 0.042 0.000 1.436 268 I CB -0.023 37.977 38.000 0.001 0.000 1.348 268 I HN 0.359 nan 8.210 nan 0.000 0.570 269 K N 6.538 126.927 120.400 -0.019 0.000 2.551 269 K HA 0.682 5.002 4.320 -0.000 0.000 0.269 269 K C -3.010 173.471 176.600 -0.199 0.000 0.949 269 K CA -1.671 54.516 56.287 -0.167 0.000 0.849 269 K CB 1.326 33.783 32.500 -0.073 0.000 1.411 269 K HN 0.181 nan 8.250 nan 0.000 0.432 270 P HA 0.111 nan 4.420 nan 0.000 0.273 270 P C -0.990 176.135 177.300 -0.292 0.000 1.250 270 P CA -0.433 62.490 63.100 -0.295 0.000 0.793 270 P CB 0.344 31.807 31.700 -0.395 0.000 1.011 271 E N 0.472 120.391 120.200 -0.468 0.000 2.415 271 E HA -0.064 4.286 4.350 -0.000 0.000 0.262 271 E C 1.136 177.242 176.600 -0.823 0.000 1.038 271 E CA 0.005 55.885 56.400 -0.868 0.000 0.921 271 E CB -0.082 28.630 29.700 -1.647 0.000 0.950 271 E HN 0.558 nan 8.360 nan 0.000 0.438 272 W N 3.627 124.563 121.300 -0.607 0.000 2.325 272 W HA -0.319 4.340 4.660 -0.000 0.000 0.299 272 W C 0.856 177.241 176.519 -0.225 0.000 1.215 272 W CA 1.191 58.349 57.345 -0.312 0.000 1.244 272 W CB -0.879 28.497 29.460 -0.140 0.000 1.140 272 W HN 0.730 nan 8.180 nan 0.000 0.523 273 Y N -2.421 117.084 120.300 -1.325 0.000 2.632 273 Y HA 0.145 4.695 4.550 -0.000 0.000 0.301 273 Y C 1.364 177.025 175.900 -0.399 0.000 1.172 273 Y CA -0.104 57.307 58.100 -1.148 0.000 1.328 273 Y CB -1.715 35.510 38.460 -2.058 0.000 1.016 273 Y HN -0.205 nan 8.280 nan 0.000 0.529 274 F N -0.448 119.282 119.950 -0.366 0.000 2.706 274 F HA 0.291 4.818 4.527 -0.000 0.000 0.308 274 F C 1.616 177.261 175.800 -0.259 0.000 1.095 274 F CA -1.121 56.703 58.000 -0.294 0.000 1.244 274 F CB -0.453 38.343 39.000 -0.340 0.000 1.063 274 F HN 0.101 nan 8.300 nan 0.000 0.582 275 L N -0.214 121.038 121.223 0.049 0.000 2.042 275 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 275 L C 2.664 179.602 176.870 0.115 0.000 1.076 275 L CA 1.781 56.684 54.840 0.106 0.000 0.749 275 L CB -0.840 41.311 42.059 0.153 0.000 0.893 275 L HN 0.230 nan 8.230 nan 0.000 0.432 276 F N -0.075 119.907 119.950 0.053 0.000 2.134 276 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 276 F C 2.424 178.173 175.800 -0.085 0.000 1.097 276 F CA 0.929 58.903 58.000 -0.044 0.000 1.264 276 F CB -1.071 37.849 39.000 -0.133 0.000 1.001 276 F HN -0.077 nan 8.300 nan 0.000 0.479 277 A N -0.224 121.815 122.820 -1.302 0.000 1.930 277 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 277 A C 2.190 179.574 177.584 -0.333 0.000 1.175 277 A CA 1.342 52.837 52.037 -0.903 0.000 0.627 277 A CB -1.638 16.753 19.000 -1.015 0.000 0.815 277 A HN 0.671 nan 8.150 nan 0.000 0.443 278 Y N 0.646 120.738 120.300 -0.347 0.000 2.242 278 Y HA 0.003 4.553 4.550 -0.000 0.000 0.291 278 Y C 2.479 178.294 175.900 -0.142 0.000 1.137 278 Y CA 0.951 58.932 58.100 -0.199 0.000 1.181 278 Y CB -0.439 37.937 38.460 -0.142 0.000 0.989 278 Y HN 0.288 nan 8.280 nan 0.000 0.527 279 A N 0.553 123.290 122.820 -0.138 0.000 1.898 279 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 279 A C 2.295 179.772 177.584 -0.179 0.000 1.181 279 A CA 1.827 53.743 52.037 -0.201 0.000 0.620 279 A CB -1.042 17.912 19.000 -0.077 0.000 0.819 279 A HN 0.562 nan 8.150 nan 0.000 0.442 280 I N -0.692 119.798 120.570 -0.133 0.000 2.179 280 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 280 I C 2.529 178.609 176.117 -0.062 0.000 1.088 280 I CA 1.517 62.780 61.300 -0.061 0.000 1.357 280 I CB -0.272 37.702 38.000 -0.043 0.000 1.051 280 I HN 0.452 nan 8.210 nan 0.000 0.409 281 L N 0.691 121.846 121.223 -0.114 0.000 2.017 281 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 281 L C 2.736 179.517 176.870 -0.149 0.000 1.073 281 L CA 1.603 56.380 54.840 -0.106 0.000 0.745 281 L CB -0.336 41.658 42.059 -0.108 0.000 0.894 281 L HN 0.083 nan 8.230 nan 0.000 0.432 282 R N -0.712 119.626 120.500 -0.270 0.000 2.193 282 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 282 R C 2.082 178.281 176.300 -0.167 0.000 1.110 282 R CA 1.217 57.146 56.100 -0.284 0.000 0.988 282 R CB -0.211 29.793 30.300 -0.492 0.000 0.871 282 R HN 0.420 nan 8.270 nan 0.000 0.458 283 S N 0.365 115.992 115.700 -0.122 0.000 2.522 283 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 283 S C 0.701 175.279 174.600 -0.037 0.000 0.986 283 S CA 0.471 58.632 58.200 -0.064 0.000 0.929 283 S CB 0.154 63.337 63.200 -0.030 0.000 0.769 283 S HN 0.146 nan 8.310 nan 0.000 0.529 284 I N 3.228 123.772 120.570 -0.042 0.000 2.328 284 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 284 I C -2.102 173.993 176.117 -0.038 0.000 1.012 284 I CA -2.148 59.133 61.300 -0.030 0.000 1.195 284 I CB 1.673 39.658 38.000 -0.025 0.000 1.350 284 I HN -0.139 nan 8.210 nan 0.000 0.464 285 P HA 0.051 nan 4.420 nan 0.000 0.237 285 P C -0.820 176.464 177.300 -0.027 0.000 1.723 285 P CA 0.232 63.315 63.100 -0.028 0.000 0.882 285 P CB -0.066 31.621 31.700 -0.021 0.000 1.810 286 N N 0.781 119.463 118.700 -0.031 0.000 2.324 286 N HA 0.078 4.818 4.740 -0.000 0.000 0.285 286 N C 0.497 175.986 175.510 -0.034 0.000 1.076 286 N CA -0.386 52.645 53.050 -0.031 0.000 0.864 286 N CB 2.384 40.851 38.487 -0.033 0.000 1.632 286 N HN -0.199 nan 8.380 nan 0.000 0.478 287 K N 2.210 122.592 120.400 -0.031 0.000 1.978 287 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 287 K C 1.808 178.384 176.600 -0.039 0.000 1.049 287 K CA 1.380 57.648 56.287 -0.031 0.000 0.939 287 K CB -0.173 32.312 32.500 -0.026 0.000 0.721 287 K HN 0.452 nan 8.250 nan 0.000 0.441 288 L N 1.004 122.199 121.223 -0.046 0.000 2.083 288 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 288 L C 2.133 178.970 176.870 -0.054 0.000 1.083 288 L CA 2.322 57.129 54.840 -0.055 0.000 0.752 288 L CB -0.998 41.021 42.059 -0.067 0.000 0.899 288 L HN 0.392 nan 8.230 nan 0.000 0.433 289 G N -1.159 107.610 108.800 -0.052 0.000 2.418 289 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 289 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 289 G C 1.500 176.374 174.900 -0.043 0.000 1.158 289 G CA 0.558 45.626 45.100 -0.054 0.000 0.771 289 G HN 0.589 nan 8.290 nan 0.000 0.545 290 G N 0.294 109.072 108.800 -0.038 0.000 2.402 290 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 290 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 290 G C 1.756 176.640 174.900 -0.026 0.000 1.162 290 G CA 1.116 46.196 45.100 -0.033 0.000 0.777 290 G HN 0.309 nan 8.290 nan 0.000 0.539 291 V N 0.899 120.794 119.914 -0.032 0.000 2.427 291 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 291 V C 2.881 178.967 176.094 -0.013 0.000 1.051 291 V CA 1.232 63.514 62.300 -0.031 0.000 1.048 291 V CB -0.349 31.451 31.823 -0.039 0.000 0.666 291 V HN 0.326 nan 8.190 nan 0.000 0.456 292 L N -0.047 121.163 121.223 -0.021 0.000 2.093 292 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 292 L C 2.689 179.585 176.870 0.043 0.000 1.085 292 L CA 1.456 56.286 54.840 -0.017 0.000 0.755 292 L CB -0.709 41.308 42.059 -0.071 0.000 0.904 292 L HN 0.370 nan 8.230 nan 0.000 0.435 293 A N -0.066 122.778 122.820 0.041 0.000 1.930 293 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 293 A C 2.170 179.900 177.584 0.243 0.000 1.175 293 A CA 1.362 53.478 52.037 0.132 0.000 0.627 293 A CB -0.533 18.524 19.000 0.095 0.000 0.815 293 A HN 0.319 nan 8.150 nan 0.000 0.443 294 L N -0.027 121.260 121.223 0.107 0.000 1.994 294 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 294 L C 2.651 179.575 176.870 0.091 0.000 1.071 294 L CA 2.414 57.282 54.840 0.047 0.000 0.745 294 L CB -0.967 41.067 42.059 -0.041 0.000 0.892 294 L HN 0.320 nan 8.230 nan 0.000 0.431 295 A N -0.911 121.966 122.820 0.095 0.000 1.883 295 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 295 A C 2.287 180.018 177.584 0.245 0.000 1.186 295 A CA 2.062 54.169 52.037 0.118 0.000 0.624 295 A CB -1.306 17.746 19.000 0.086 0.000 0.822 295 A HN 0.554 nan 8.150 nan 0.000 0.444 296 F N 1.935 121.959 119.950 0.122 0.000 2.216 296 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 296 F C 2.737 178.785 175.800 0.413 0.000 1.085 296 F CA 1.372 59.499 58.000 0.211 0.000 1.326 296 F CB -0.501 38.570 39.000 0.118 0.000 1.027 296 F HN 0.343 nan 8.300 nan 0.000 0.497 297 S N -0.286 115.674 115.700 0.433 0.000 2.442 297 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 297 S C 1.868 176.591 174.600 0.205 0.000 1.007 297 S CA 1.320 59.696 58.200 0.294 0.000 0.965 297 S CB -0.582 62.681 63.200 0.106 0.000 0.773 297 S HN 0.294 nan 8.310 nan 0.000 0.504 298 I N 0.941 121.613 120.570 0.169 0.000 2.947 298 I HA 0.235 4.405 4.170 -0.000 0.000 0.263 298 I C 2.277 178.455 176.117 0.102 0.000 1.130 298 I CA 0.382 61.770 61.300 0.145 0.000 1.448 298 I CB -1.354 36.721 38.000 0.124 0.000 1.222 298 I HN 0.288 nan 8.210 nan 0.000 0.453 299 L N 0.823 122.121 121.223 0.125 0.000 2.265 299 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 299 L C 2.488 179.422 176.870 0.106 0.000 1.117 299 L CA 0.974 55.897 54.840 0.138 0.000 0.782 299 L CB -0.324 41.865 42.059 0.217 0.000 0.914 299 L HN 0.197 nan 8.230 nan 0.000 0.441 300 I N -0.117 120.419 120.570 -0.057 0.000 2.700 300 I HA -0.286 3.884 4.170 -0.000 0.000 0.261 300 I C 2.203 178.306 176.117 -0.024 0.000 1.219 300 I CA 0.914 62.090 61.300 -0.206 0.000 1.463 300 I CB 0.146 37.805 38.000 -0.569 0.000 1.092 300 I HN 0.244 nan 8.210 nan 0.000 0.452 301 L N 0.468 121.725 121.223 0.057 0.000 2.131 301 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 301 L C 2.664 179.742 176.870 0.348 0.000 1.092 301 L CA 1.200 56.156 54.840 0.193 0.000 0.759 301 L CB -0.710 41.419 42.059 0.117 0.000 0.903 301 L HN 0.310 nan 8.230 nan 0.000 0.435 302 A N -0.404 122.551 122.820 0.224 0.000 2.121 302 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 302 A C 2.128 179.823 177.584 0.185 0.000 1.154 302 A CA 0.988 53.175 52.037 0.251 0.000 0.679 302 A CB -0.367 18.729 19.000 0.160 0.000 0.795 302 A HN 0.410 nan 8.150 nan 0.000 0.458 303 L N -0.386 120.909 121.223 0.119 0.000 2.446 303 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 303 L C 1.872 178.710 176.870 -0.054 0.000 1.116 303 L CA -0.131 54.741 54.840 0.054 0.000 0.844 303 L CB -0.336 41.772 42.059 0.081 0.000 0.970 303 L HN 0.239 nan 8.230 nan 0.000 0.457 304 I N 1.010 121.502 120.570 -0.129 0.000 2.145 304 I HA -0.221 3.949 4.170 -0.000 0.000 0.244 304 I C 0.006 175.819 176.117 -0.506 0.000 1.075 304 I CA 2.015 63.071 61.300 -0.406 0.000 1.332 304 I CB -2.426 35.178 38.000 -0.660 0.000 1.033 304 I HN 0.170 nan 8.210 nan 0.000 0.410 305 P HA -0.133 nan 4.420 nan 0.000 0.216 305 P C 2.155 179.425 177.300 -0.050 0.000 1.150 305 P CA 1.284 64.278 63.100 -0.175 0.000 0.837 305 P CB -0.039 31.610 31.700 -0.084 0.000 0.786 306 L N -1.930 119.265 121.223 -0.046 0.000 2.376 306 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 306 L C 1.878 178.740 176.870 -0.013 0.000 1.133 306 L CA 0.797 55.632 54.840 -0.009 0.000 0.816 306 L CB -0.586 41.477 42.059 0.005 0.000 0.933 306 L HN 0.004 nan 8.230 nan 0.000 0.449 307 L N -1.573 119.620 121.223 -0.049 0.000 2.607 307 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 307 L C 0.623 177.462 176.870 -0.052 0.000 1.123 307 L CA -0.254 54.550 54.840 -0.059 0.000 0.890 307 L CB -0.368 41.634 42.059 -0.095 0.000 1.103 307 L HN 0.160 nan 8.230 nan 0.000 0.468 308 H N 0.541 119.555 119.070 -0.093 0.000 3.017 308 H HA 0.024 4.580 4.556 -0.000 0.000 0.276 308 H C 1.264 176.562 175.328 -0.050 0.000 1.062 308 H CA 0.433 56.455 56.048 -0.043 0.000 1.486 308 H CB 0.779 30.572 29.762 0.051 0.000 1.507 308 H HN 0.123 nan 8.280 nan 0.000 0.508 309 T N 0.119 114.495 114.554 -0.296 0.000 2.990 309 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 309 T C 1.066 175.630 174.700 -0.226 0.000 1.039 309 T CA -0.025 61.965 62.100 -0.183 0.000 1.036 309 T CB 0.047 68.833 68.868 -0.137 0.000 0.994 309 T HN 0.431 nan 8.240 nan 0.000 0.489 310 S N 1.091 116.534 115.700 -0.428 0.000 2.568 310 S HA 0.160 4.630 4.470 -0.000 0.000 0.282 310 S C 1.155 175.670 174.600 -0.142 0.000 1.338 310 S CA -0.527 57.510 58.200 -0.271 0.000 1.045 310 S CB 0.446 63.464 63.200 -0.303 0.000 0.873 310 S HN 0.203 nan 8.310 nan 0.000 0.516 311 K N 2.247 122.517 120.400 -0.218 0.000 2.418 311 K HA 0.134 4.454 4.320 -0.000 0.000 0.195 311 K C 0.250 176.705 176.600 -0.242 0.000 1.035 311 K CA 0.678 56.698 56.287 -0.444 0.000 1.003 311 K CB -0.046 31.686 32.500 -1.279 0.000 0.793 311 K HN 0.651 nan 8.250 nan 0.000 0.494 312 Q N -0.029 119.765 119.800 -0.010 0.000 2.309 312 Q HA 0.308 4.648 4.340 -0.000 0.000 0.264 312 Q C 0.817 176.888 176.000 0.117 0.000 1.008 312 Q CA -0.386 55.474 55.803 0.096 0.000 0.853 312 Q CB 2.439 31.307 28.738 0.216 0.000 1.314 312 Q HN -0.064 nan 8.270 nan 0.000 0.448 313 R N 0.942 121.460 120.500 0.030 0.000 2.062 313 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 313 R C 0.847 177.093 176.300 -0.091 0.000 1.128 313 R CA 1.054 57.099 56.100 -0.091 0.000 0.960 313 R CB 0.145 30.337 30.300 -0.180 0.000 0.855 313 R HN 0.546 nan 8.270 nan 0.000 0.432 314 S N -0.963 114.692 115.700 -0.074 0.000 2.672 314 S HA 0.180 4.650 4.470 -0.000 0.000 0.276 314 S C 0.818 175.248 174.600 -0.284 0.000 1.207 314 S CA -0.680 57.428 58.200 -0.154 0.000 1.002 314 S CB 1.279 64.458 63.200 -0.035 0.000 0.998 314 S HN 0.298 nan 8.310 nan 0.000 0.542 315 M N 2.903 122.141 119.600 -0.603 0.000 2.495 315 M HA 0.111 4.591 4.480 -0.000 0.000 0.237 315 M C 1.796 177.746 176.300 -0.584 0.000 1.131 315 M CA 0.088 54.950 55.300 -0.731 0.000 1.032 315 M CB -0.178 31.622 32.600 -1.334 0.000 1.513 315 M HN 0.825 nan 8.290 nan 0.000 0.488 316 M N 0.410 119.728 119.600 -0.470 0.000 2.106 316 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 316 M C 0.397 176.539 176.300 -0.264 0.000 1.068 316 M CA 2.085 57.187 55.300 -0.330 0.000 1.100 316 M CB 0.054 32.345 32.600 -0.515 0.000 1.351 316 M HN 0.182 nan 8.290 nan 0.000 0.404 317 F N 0.276 120.234 119.950 0.013 0.000 2.645 317 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 317 F C 0.035 175.838 175.800 0.005 0.000 1.115 317 F CA -0.025 57.992 58.000 0.027 0.000 1.355 317 F CB -0.100 38.928 39.000 0.047 0.000 1.026 317 F HN -0.008 nan 8.300 nan 0.000 0.536 318 R N 0.336 120.875 120.500 0.065 0.000 2.402 318 R HA 0.254 4.594 4.340 -0.000 0.000 0.290 318 R C -2.084 174.215 176.300 -0.001 0.000 1.321 318 R CA -1.474 54.640 56.100 0.022 0.000 1.283 318 R CB 0.723 30.997 30.300 -0.044 0.000 1.111 318 R HN -0.057 nan 8.270 nan 0.000 0.578 319 P HA -0.245 nan 4.420 nan 0.000 0.215 319 P C 0.954 178.287 177.300 0.056 0.000 1.163 319 P CA 1.419 64.559 63.100 0.066 0.000 0.894 319 P CB 0.226 31.967 31.700 0.068 0.000 0.791 320 L N -1.344 119.900 121.223 0.036 0.000 2.046 320 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 320 L C 2.415 179.293 176.870 0.013 0.000 1.077 320 L CA 1.673 56.530 54.840 0.029 0.000 0.747 320 L CB -1.316 40.753 42.059 0.016 0.000 0.896 320 L HN -0.007 nan 8.230 nan 0.000 0.432 321 S N -0.642 115.042 115.700 -0.026 0.000 2.382 321 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 321 S C 1.994 176.562 174.600 -0.054 0.000 1.027 321 S CA 1.136 59.294 58.200 -0.071 0.000 0.991 321 S CB -0.140 62.972 63.200 -0.147 0.000 0.823 321 S HN 0.448 nan 8.310 nan 0.000 0.469 322 Q N -0.102 119.680 119.800 -0.030 0.000 2.079 322 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 322 Q C 2.469 178.630 176.000 0.269 0.000 0.974 322 Q CA 1.465 57.320 55.803 0.087 0.000 0.840 322 Q CB -0.397 28.461 28.738 0.199 0.000 0.898 322 Q HN 0.542 nan 8.270 nan 0.000 0.430 323 C N 0.528 119.957 119.300 0.216 0.000 2.429 323 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 323 C C 2.524 177.620 174.990 0.176 0.000 1.262 323 C CA 0.604 59.760 59.018 0.230 0.000 1.733 323 C CB -0.962 26.862 27.740 0.139 0.000 2.010 323 C HN 0.472 nan 8.230 nan 0.000 0.483 324 L N -0.523 120.756 121.223 0.092 0.000 2.217 324 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 324 L C 2.357 179.223 176.870 -0.007 0.000 1.107 324 L CA 1.226 56.085 54.840 0.031 0.000 0.783 324 L CB -0.663 41.390 42.059 -0.009 0.000 0.919 324 L HN 0.329 nan 8.230 nan 0.000 0.442 325 F N 0.005 119.860 119.950 -0.158 0.000 2.113 325 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 325 F C 1.978 177.581 175.800 -0.327 0.000 1.103 325 F CA 1.434 59.247 58.000 -0.311 0.000 1.248 325 F CB -0.353 38.370 39.000 -0.462 0.000 0.999 325 F HN -0.040 nan 8.300 nan 0.000 0.475 326 W N 0.208 121.580 121.300 0.120 0.000 2.425 326 W HA 0.002 4.662 4.660 -0.000 0.000 0.277 326 W C 2.505 178.975 176.519 -0.083 0.000 1.231 326 W CA 0.989 58.338 57.345 0.006 0.000 1.248 326 W CB -0.664 28.869 29.460 0.123 0.000 1.117 326 W HN 0.105 nan 8.180 nan 0.000 0.568 327 A N 0.037 122.915 122.820 0.097 0.000 1.930 327 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 327 A C 1.881 179.436 177.584 -0.048 0.000 1.175 327 A CA 1.398 53.460 52.037 0.041 0.000 0.627 327 A CB -0.822 18.197 19.000 0.032 0.000 0.815 327 A HN 0.264 nan 8.150 nan 0.000 0.443 328 L N -0.017 121.102 121.223 -0.173 0.000 2.056 328 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 328 L C 2.334 179.062 176.870 -0.238 0.000 1.078 328 L CA 1.860 56.559 54.840 -0.235 0.000 0.749 328 L CB -0.530 41.298 42.059 -0.384 0.000 0.901 328 L HN 0.145 nan 8.230 nan 0.000 0.433 329 V N 0.100 119.814 119.914 -0.333 0.000 2.358 329 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 329 V C 2.800 178.869 176.094 -0.041 0.000 1.047 329 V CA 1.549 63.717 62.300 -0.219 0.000 1.035 329 V CB -1.419 30.308 31.823 -0.159 0.000 0.658 329 V HN 0.589 nan 8.190 nan 0.000 0.452 330 A N -0.045 122.790 122.820 0.024 0.000 1.972 330 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 330 A C 2.024 179.633 177.584 0.042 0.000 1.169 330 A CA 2.092 54.161 52.037 0.053 0.000 0.635 330 A CB -0.614 18.429 19.000 0.071 0.000 0.810 330 A HN 0.582 nan 8.150 nan 0.000 0.446 331 D N -0.372 120.040 120.400 0.020 0.000 2.149 331 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 331 D C 1.775 178.097 176.300 0.036 0.000 0.972 331 D CA 0.863 54.889 54.000 0.043 0.000 0.835 331 D CB -0.149 40.676 40.800 0.042 0.000 0.966 331 D HN 0.413 nan 8.370 nan 0.000 0.476 332 L N -0.129 121.080 121.223 -0.023 0.000 2.156 332 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 332 L C 2.181 179.060 176.870 0.015 0.000 1.095 332 L CA 0.259 55.051 54.840 -0.079 0.000 0.770 332 L CB -0.250 41.662 42.059 -0.245 0.000 0.914 332 L HN 0.199 nan 8.230 nan 0.000 0.439 333 L N -0.743 120.507 121.223 0.044 0.000 2.093 333 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 333 L C 2.358 179.331 176.870 0.173 0.000 1.085 333 L CA 1.941 56.840 54.840 0.098 0.000 0.755 333 L CB -0.709 41.393 42.059 0.072 0.000 0.904 333 L HN 0.088 nan 8.230 nan 0.000 0.435 334 T N -0.126 114.535 114.554 0.177 0.000 2.737 334 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 334 T C 1.959 176.829 174.700 0.282 0.000 1.038 334 T CA 1.835 64.119 62.100 0.306 0.000 1.144 334 T CB -0.314 68.702 68.868 0.247 0.000 0.866 334 T HN 0.294 nan 8.240 nan 0.000 0.434 335 L N 0.710 122.028 121.223 0.158 0.000 2.131 335 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 335 L C 2.866 179.817 176.870 0.135 0.000 1.092 335 L CA 1.068 55.969 54.840 0.103 0.000 0.759 335 L CB -0.887 41.215 42.059 0.073 0.000 0.903 335 L HN 0.290 nan 8.230 nan 0.000 0.435 336 T N -1.307 113.366 114.554 0.199 0.000 2.777 336 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 336 T C 1.326 176.157 174.700 0.218 0.000 1.040 336 T CA 1.509 63.747 62.100 0.231 0.000 1.141 336 T CB -0.344 68.678 68.868 0.258 0.000 0.868 336 T HN 0.554 nan 8.240 nan 0.000 0.444 337 W N 2.145 123.471 121.300 0.043 0.000 2.355 337 W HA -0.059 4.601 4.660 -0.000 0.000 0.309 337 W C 1.590 178.076 176.519 -0.055 0.000 1.206 337 W CA 0.476 57.818 57.345 -0.005 0.000 1.284 337 W CB -0.646 28.807 29.460 -0.011 0.000 1.145 337 W HN 0.040 nan 8.180 nan 0.000 0.502 338 I N 1.628 121.959 120.570 -0.399 0.000 2.264 338 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 338 I C 2.536 178.446 176.117 -0.346 0.000 1.111 338 I CA 1.859 62.768 61.300 -0.651 0.000 1.382 338 I CB -2.089 35.674 38.000 -0.395 0.000 1.060 338 I HN 0.273 nan 8.210 nan 0.000 0.418 339 G N 0.318 109.059 108.800 -0.098 0.000 2.470 339 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 339 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 339 G C 1.576 176.540 174.900 0.106 0.000 1.121 339 G CA 0.779 45.943 45.100 0.107 0.000 0.766 339 G HN 0.515 nan 8.290 nan 0.000 0.553 340 G N -1.127 107.652 108.800 -0.035 0.000 3.042 340 G HA2 0.285 4.245 3.960 -0.000 0.000 0.212 340 G HA3 0.285 4.245 3.960 -0.000 0.000 0.212 340 G C 0.594 175.414 174.900 -0.134 0.000 1.166 340 G CA -0.141 44.939 45.100 -0.033 0.000 0.767 340 G HN 0.293 nan 8.290 nan 0.000 0.546 341 Q N 0.588 120.205 119.800 -0.306 0.000 2.248 341 Q HA 0.385 4.725 4.340 -0.000 0.000 0.263 341 Q C -2.459 173.424 176.000 -0.195 0.000 1.007 341 Q CA -2.231 53.313 55.803 -0.430 0.000 0.877 341 Q CB 1.893 29.918 28.738 -1.189 0.000 1.315 341 Q HN 0.062 nan 8.270 nan 0.000 0.454 342 P HA 0.071 nan 4.420 nan 0.000 0.272 342 P C -0.168 177.180 177.300 0.080 0.000 1.230 342 P CA -0.263 62.880 63.100 0.073 0.000 0.788 342 P CB 0.583 32.367 31.700 0.139 0.000 0.949 343 V N 1.996 121.946 119.914 0.061 0.000 2.054 343 V HA 0.082 4.202 4.120 -0.000 0.000 0.243 343 V C 0.777 176.913 176.094 0.070 0.000 1.480 343 V CA 0.791 63.113 62.300 0.037 0.000 1.440 343 V CB -1.914 29.909 31.823 0.000 0.000 1.489 343 V HN 0.524 nan 8.190 nan 0.000 0.502 344 E N 0.504 120.777 120.200 0.122 0.000 2.433 344 E HA 0.391 4.741 4.350 -0.000 0.000 0.273 344 E C -0.635 176.001 176.600 0.060 0.000 0.950 344 E CA -0.974 55.488 56.400 0.103 0.000 0.796 344 E CB 1.908 31.677 29.700 0.114 0.000 1.330 344 E HN 0.571 nan 8.360 nan 0.000 0.455 345 H N 2.865 121.896 119.070 -0.067 0.000 2.732 345 H HA 0.117 4.673 4.556 -0.000 0.000 0.351 345 H C -1.864 173.281 175.328 -0.305 0.000 1.090 345 H CA -1.131 54.841 56.048 -0.125 0.000 1.431 345 H CB 1.160 30.873 29.762 -0.082 0.000 1.447 345 H HN 0.305 nan 8.280 nan 0.000 0.582 346 P HA 0.010 nan 4.420 nan 0.000 0.261 346 P C 0.401 177.486 177.300 -0.359 0.000 1.352 346 P CA 0.039 62.589 63.100 -0.918 0.000 0.891 346 P CB -0.053 31.099 31.700 -0.913 0.000 1.383 347 Y N 0.475 120.644 120.300 -0.220 0.000 2.274 347 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 347 Y C 2.433 178.226 175.900 -0.179 0.000 1.145 347 Y CA 0.371 58.326 58.100 -0.241 0.000 1.203 347 Y CB -1.353 36.940 38.460 -0.278 0.000 0.984 347 Y HN -0.077 nan 8.280 nan 0.000 0.533 348 I N -0.787 119.799 120.570 0.028 0.000 2.163 348 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 348 I C 2.154 178.268 176.117 -0.005 0.000 1.085 348 I CA 1.897 63.199 61.300 0.002 0.000 1.347 348 I CB -0.683 37.326 38.000 0.015 0.000 1.044 348 I HN 0.165 nan 8.210 nan 0.000 0.408 349 T N 0.934 115.484 114.554 -0.007 0.000 2.857 349 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 349 T C 1.935 176.644 174.700 0.015 0.000 1.048 349 T CA 1.047 63.151 62.100 0.006 0.000 1.139 349 T CB -0.163 68.711 68.868 0.010 0.000 0.874 349 T HN 0.212 nan 8.240 nan 0.000 0.455 350 I N 1.256 121.834 120.570 0.013 0.000 2.226 350 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 350 I C 2.834 178.974 176.117 0.039 0.000 1.100 350 I CA 1.263 62.595 61.300 0.053 0.000 1.374 350 I CB -0.580 37.482 38.000 0.102 0.000 1.057 350 I HN 0.304 nan 8.210 nan 0.000 0.413 351 G N -0.268 108.528 108.800 -0.007 0.000 2.408 351 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 351 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 351 G C 1.586 176.491 174.900 0.009 0.000 1.150 351 G CA 0.352 45.438 45.100 -0.023 0.000 0.776 351 G HN 0.381 nan 8.290 nan 0.000 0.542 352 Q N -0.430 119.379 119.800 0.016 0.000 2.119 352 Q HA 0.108 4.448 4.340 -0.000 0.000 0.201 352 Q C 2.636 178.673 176.000 0.062 0.000 0.972 352 Q CA 0.695 56.519 55.803 0.036 0.000 0.847 352 Q CB -0.178 28.576 28.738 0.026 0.000 0.903 352 Q HN 0.438 nan 8.270 nan 0.000 0.433 353 L N -0.152 121.107 121.223 0.059 0.000 2.027 353 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 353 L C 2.497 179.419 176.870 0.087 0.000 1.074 353 L CA 0.980 55.863 54.840 0.071 0.000 0.745 353 L CB -0.631 41.468 42.059 0.066 0.000 0.898 353 L HN 0.219 nan 8.230 nan 0.000 0.433 354 A N -0.595 122.275 122.820 0.084 0.000 1.933 354 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 354 A C 2.510 180.155 177.584 0.103 0.000 1.175 354 A CA 2.121 54.212 52.037 0.091 0.000 0.628 354 A CB -0.560 18.492 19.000 0.085 0.000 0.814 354 A HN 0.378 nan 8.150 nan 0.000 0.444 355 S N -0.665 115.097 115.700 0.104 0.000 2.368 355 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 355 S C 1.896 176.670 174.600 0.290 0.000 1.029 355 S CA 1.325 59.619 58.200 0.157 0.000 0.988 355 S CB -0.377 62.913 63.200 0.149 0.000 0.838 355 S HN 0.334 nan 8.310 nan 0.000 0.462 356 V N 1.867 121.918 119.914 0.228 0.000 2.358 356 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 356 V C 2.243 178.464 176.094 0.212 0.000 1.047 356 V CA 1.407 63.853 62.300 0.243 0.000 1.035 356 V CB -0.568 31.342 31.823 0.145 0.000 0.658 356 V HN 0.366 nan 8.190 nan 0.000 0.452 357 L N -0.475 120.835 121.223 0.145 0.000 2.079 357 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 357 L C 2.255 179.166 176.870 0.069 0.000 1.081 357 L CA 2.172 57.069 54.840 0.095 0.000 0.752 357 L CB -0.960 41.144 42.059 0.075 0.000 0.896 357 L HN 0.496 nan 8.230 nan 0.000 0.433 358 Y N -0.464 119.794 120.300 -0.070 0.000 2.053 358 Y HA -0.326 4.224 4.550 -0.000 0.000 0.277 358 Y C 2.143 177.887 175.900 -0.260 0.000 1.159 358 Y CA 2.262 60.222 58.100 -0.233 0.000 1.125 358 Y CB -0.669 37.552 38.460 -0.398 0.000 0.969 358 Y HN 0.215 nan 8.280 nan 0.000 0.492 359 F N -0.937 119.011 119.950 -0.002 0.000 2.259 359 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 359 F C 2.130 177.876 175.800 -0.089 0.000 1.088 359 F CA 0.999 58.945 58.000 -0.090 0.000 1.358 359 F CB -0.836 38.228 39.000 0.108 0.000 1.040 359 F HN 0.167 nan 8.300 nan 0.000 0.505 360 L N -0.277 121.018 121.223 0.119 0.000 2.093 360 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 360 L C 2.010 178.867 176.870 -0.022 0.000 1.085 360 L CA 1.592 56.467 54.840 0.058 0.000 0.755 360 L CB -0.688 41.409 42.059 0.064 0.000 0.904 360 L HN 0.096 nan 8.230 nan 0.000 0.435 361 L N -1.126 120.047 121.223 -0.083 0.000 2.027 361 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 361 L C 2.419 179.192 176.870 -0.162 0.000 1.074 361 L CA 1.526 56.293 54.840 -0.121 0.000 0.745 361 L CB -0.379 41.584 42.059 -0.160 0.000 0.898 361 L HN 0.232 nan 8.230 nan 0.000 0.433 362 I N -0.649 119.770 120.570 -0.250 0.000 2.202 362 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 362 I C 2.240 178.272 176.117 -0.142 0.000 1.091 362 I CA 1.333 62.481 61.300 -0.253 0.000 1.368 362 I CB -0.161 37.596 38.000 -0.404 0.000 1.058 362 I HN 0.201 nan 8.210 nan 0.000 0.410 363 L N -0.657 120.524 121.223 -0.069 0.000 2.270 363 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 363 L C 1.994 178.858 176.870 -0.011 0.000 1.104 363 L CA 0.567 55.405 54.840 -0.004 0.000 0.804 363 L CB -0.094 42.015 42.059 0.083 0.000 0.937 363 L HN 0.085 nan 8.230 nan 0.000 0.450 364 V N -1.413 118.490 119.914 -0.018 0.000 3.054 364 V HA 0.013 4.133 4.120 -0.000 0.000 0.227 364 V C 1.978 178.054 176.094 -0.030 0.000 1.252 364 V CA 0.112 62.403 62.300 -0.015 0.000 1.279 364 V CB 0.244 32.070 31.823 0.004 0.000 1.118 364 V HN 0.131 nan 8.190 nan 0.000 0.504 365 L N -0.321 120.882 121.223 -0.033 0.000 2.046 365 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 365 L C 2.547 179.386 176.870 -0.051 0.000 1.077 365 L CA 1.906 56.725 54.840 -0.035 0.000 0.747 365 L CB -0.555 41.486 42.059 -0.030 0.000 0.896 365 L HN 0.337 nan 8.230 nan 0.000 0.432 366 M N -0.623 118.933 119.600 -0.074 0.000 2.132 366 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 366 M C -0.231 176.009 176.300 -0.100 0.000 1.065 366 M CA 1.854 57.099 55.300 -0.091 0.000 1.122 366 M CB -1.290 31.242 32.600 -0.114 0.000 1.365 366 M HN 0.088 nan 8.290 nan 0.000 0.411 367 P HA -0.081 nan 4.420 nan 0.000 0.217 367 P C 1.241 178.495 177.300 -0.077 0.000 1.150 367 P CA 1.324 64.365 63.100 -0.097 0.000 0.832 367 P CB -0.157 31.499 31.700 -0.074 0.000 0.787 368 T N -0.723 113.798 114.554 -0.055 0.000 2.777 368 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 368 T C 1.884 176.562 174.700 -0.036 0.000 1.040 368 T CA 1.505 63.583 62.100 -0.037 0.000 1.141 368 T CB -0.849 68.005 68.868 -0.024 0.000 0.868 368 T HN 0.029 nan 8.240 nan 0.000 0.444 369 A N 1.342 124.136 122.820 -0.043 0.000 1.933 369 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 369 A C 2.592 180.149 177.584 -0.045 0.000 1.175 369 A CA 1.762 53.778 52.037 -0.035 0.000 0.628 369 A CB -1.282 17.695 19.000 -0.038 0.000 0.814 369 A HN 0.504 nan 8.150 nan 0.000 0.444 370 G N -1.029 107.723 108.800 -0.081 0.000 2.418 370 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 370 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 370 G C 1.564 176.427 174.900 -0.062 0.000 1.158 370 G CA 1.649 46.685 45.100 -0.107 0.000 0.771 370 G HN 0.431 nan 8.290 nan 0.000 0.545 371 T N 1.158 115.683 114.554 -0.049 0.000 2.777 371 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 371 T C 2.395 177.102 174.700 0.011 0.000 1.040 371 T CA 0.766 62.853 62.100 -0.021 0.000 1.141 371 T CB -0.107 68.748 68.868 -0.022 0.000 0.868 371 T HN 0.234 nan 8.240 nan 0.000 0.444 372 I N 1.057 121.630 120.570 0.007 0.000 2.226 372 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 372 I C 2.595 178.734 176.117 0.038 0.000 1.100 372 I CA 1.403 62.714 61.300 0.019 0.000 1.374 372 I CB -0.365 37.641 38.000 0.010 0.000 1.057 372 I HN 0.325 nan 8.210 nan 0.000 0.413 373 E N 0.707 120.930 120.200 0.039 0.000 2.077 373 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 373 E C 1.893 178.575 176.600 0.136 0.000 0.989 373 E CA 1.162 57.603 56.400 0.068 0.000 0.800 373 E CB -0.175 29.559 29.700 0.057 0.000 0.746 373 E HN 0.463 nan 8.360 nan 0.000 0.452 374 N N 0.908 119.705 118.700 0.161 0.000 2.069 374 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 374 N C 1.572 177.247 175.510 0.276 0.000 1.031 374 N CA 0.965 54.202 53.050 0.312 0.000 0.852 374 N CB -0.123 38.456 38.487 0.154 0.000 1.018 374 N HN 0.048 nan 8.380 nan 0.000 0.423 375 K N 1.172 121.655 120.400 0.140 0.000 2.032 375 K HA -0.044 4.276 4.320 -0.000 0.000 0.209 375 K C 2.197 178.832 176.600 0.058 0.000 1.048 375 K CA 0.682 57.024 56.287 0.092 0.000 0.927 375 K CB -0.909 31.622 32.500 0.053 0.000 0.712 375 K HN 0.267 nan 8.250 nan 0.000 0.441 376 L N 0.667 121.917 121.223 0.044 0.000 2.261 376 L HA -0.129 4.211 4.340 -0.000 0.000 0.216 376 L C 2.096 178.944 176.870 -0.037 0.000 1.114 376 L CA 0.755 55.600 54.840 0.008 0.000 0.777 376 L CB -0.283 41.783 42.059 0.012 0.000 0.910 376 L HN 0.087 nan 8.230 nan 0.000 0.440 377 L N -0.787 120.404 121.223 -0.052 0.000 2.607 377 L HA 0.053 4.393 4.340 -0.000 0.000 0.228 377 L C 0.580 177.260 176.870 -0.315 0.000 1.123 377 L CA 0.073 54.762 54.840 -0.251 0.000 0.890 377 L CB 0.024 41.830 42.059 -0.421 0.000 1.103 377 L HN 0.197 nan 8.230 nan 0.000 0.468 378 K N -0.126 120.218 120.400 -0.092 0.000 3.167 378 K HA -0.182 4.138 4.320 -0.000 0.000 0.272 378 K C -0.886 175.772 176.600 0.097 0.000 1.137 378 K CA 0.712 56.985 56.287 -0.022 0.000 0.800 378 K CB -1.535 30.921 32.500 -0.073 0.000 1.253 378 K HN 0.495 nan 8.250 nan 0.000 0.497 379 W N 0.000 121.296 121.300 -0.007 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.342 57.345 -0.004 0.000 1.226 379 W CB 0.000 29.458 29.460 -0.003 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535