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 1ppj_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 0.000 175.493 175.510 -0.028 0.000 1.280 15 N CA 0.000 53.038 53.050 -0.019 0.000 0.885 15 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 16 N N 1.272 119.962 118.700 -0.017 0.000 2.441 16 N HA 0.343 5.083 4.740 -0.000 0.000 0.225 16 N C 0.425 175.949 175.510 0.023 0.000 1.208 16 N CA 0.417 53.456 53.050 -0.019 0.000 0.847 16 N CB 0.571 39.061 38.487 0.004 0.000 1.121 16 N HN 0.269 nan 8.380 nan 0.000 0.479 17 A N -0.915 121.900 122.820 -0.007 0.000 2.709 17 A HA 0.318 4.638 4.320 -0.000 0.000 0.212 17 A C 0.109 177.604 177.584 -0.149 0.000 1.280 17 A CA -0.346 51.741 52.037 0.083 0.000 1.034 17 A CB 0.381 19.423 19.000 0.071 0.000 1.255 17 A HN 0.155 nan 8.150 nan 0.000 0.547 18 F N -1.834 118.015 119.950 -0.167 0.000 2.786 18 F HA 0.259 4.785 4.527 -0.000 0.000 0.261 18 F C 1.711 177.523 175.800 0.021 0.000 1.318 18 F CA -0.684 57.212 58.000 -0.173 0.000 1.083 18 F CB -0.982 37.990 39.000 -0.046 0.000 2.081 18 F HN -0.036 nan 8.300 nan 0.000 0.231 19 I N 1.392 122.020 120.570 0.096 0.000 4.442 19 I HA -0.375 3.795 4.170 -0.000 0.000 0.102 19 I C 1.246 177.469 176.117 0.176 0.000 0.669 19 I CA 2.777 64.156 61.300 0.131 0.000 0.707 19 I CB -1.602 36.417 38.000 0.032 0.000 0.598 19 I HN 0.579 nan 8.210 nan 0.000 0.214 20 D N 1.105 121.563 120.400 0.096 0.000 2.336 20 D HA 0.147 4.787 4.640 -0.000 0.000 0.228 20 D C 0.785 177.128 176.300 0.073 0.000 1.120 20 D CA -0.158 53.896 54.000 0.091 0.000 0.839 20 D CB 0.057 40.888 40.800 0.052 0.000 0.932 20 D HN 0.107 nan 8.370 nan 0.000 0.509 21 L N 2.474 123.736 121.223 0.064 0.000 2.534 21 L HA 0.133 4.473 4.340 -0.000 0.000 0.271 21 L C -2.284 174.642 176.870 0.094 0.000 1.178 21 L CA -0.750 54.085 54.840 -0.008 0.000 0.907 21 L CB 0.495 42.463 42.059 -0.152 0.000 1.164 21 L HN -0.261 nan 8.230 nan 0.000 0.482 22 P HA 0.243 nan 4.420 nan 0.000 0.276 22 P C -1.092 176.270 177.300 0.103 0.000 1.230 22 P CA -0.191 62.959 63.100 0.082 0.000 0.776 22 P CB 1.117 32.840 31.700 0.039 0.000 0.888 23 A N 4.797 127.713 122.820 0.160 0.000 2.454 23 A HA 0.750 5.070 4.320 -0.000 0.000 0.302 23 A C -2.812 174.827 177.584 0.092 0.000 1.079 23 A CA -2.195 49.927 52.037 0.142 0.000 0.731 23 A CB 0.809 19.970 19.000 0.268 0.000 1.299 23 A HN 0.281 nan 8.150 nan 0.000 0.413 24 P HA 0.066 nan 4.420 nan 0.000 0.267 24 P C 0.963 178.268 177.300 0.008 0.000 1.200 24 P CA 0.401 63.469 63.100 -0.053 0.000 0.772 24 P CB 0.838 32.434 31.700 -0.174 0.000 0.855 25 S N 1.299 116.983 115.700 -0.026 0.000 2.461 25 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 25 S C 1.096 175.665 174.600 -0.052 0.000 1.005 25 S CA 0.751 58.918 58.200 -0.055 0.000 0.942 25 S CB -0.788 62.346 63.200 -0.110 0.000 0.776 25 S HN 0.571 nan 8.310 nan 0.000 0.514 26 N N 2.082 120.726 118.700 -0.093 0.000 2.238 26 N HA 0.136 4.876 4.740 -0.000 0.000 0.222 26 N C 0.326 175.687 175.510 -0.248 0.000 1.133 26 N CA -0.498 52.475 53.050 -0.129 0.000 0.854 26 N CB -0.530 37.888 38.487 -0.116 0.000 1.041 26 N HN 0.703 nan 8.380 nan 0.000 0.510 27 I N -0.304 120.053 120.570 -0.355 0.000 2.696 27 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 27 I C 0.655 176.632 176.117 -0.234 0.000 1.129 27 I CA -0.796 60.081 61.300 -0.705 0.000 1.410 27 I CB 0.811 38.121 38.000 -1.150 0.000 1.399 27 I HN 0.039 nan 8.210 nan 0.000 0.579 28 S N 3.034 118.678 115.700 -0.093 0.000 2.690 28 S HA 0.290 4.760 4.470 -0.000 0.000 0.285 28 S C 0.944 175.720 174.600 0.293 0.000 1.135 28 S CA -0.400 57.902 58.200 0.170 0.000 1.020 28 S CB 1.313 64.684 63.200 0.286 0.000 1.159 28 S HN 0.698 nan 8.310 nan 0.000 0.534 29 S N -0.369 115.425 115.700 0.157 0.000 2.469 29 S HA -0.049 4.421 4.470 -0.000 0.000 0.238 29 S C 0.927 175.599 174.600 0.119 0.000 0.998 29 S CA 0.912 59.135 58.200 0.038 0.000 0.957 29 S CB -0.596 62.519 63.200 -0.143 0.000 0.764 29 S HN 0.733 nan 8.310 nan 0.000 0.514 30 W N 0.230 121.798 121.300 0.446 0.000 2.611 30 W HA 0.077 4.737 4.660 -0.000 0.000 0.251 30 W C 1.470 178.223 176.519 0.389 0.000 1.265 30 W CA -0.330 57.310 57.345 0.492 0.000 1.295 30 W CB -0.128 29.547 29.460 0.357 0.000 1.129 30 W HN 0.380 nan 8.180 nan 0.000 0.630 31 W N -0.151 121.347 121.300 0.331 0.000 3.290 31 W HA 0.042 4.702 4.660 -0.000 0.000 0.287 31 W C 0.830 177.454 176.519 0.176 0.000 1.288 31 W CA 0.152 57.640 57.345 0.237 0.000 1.725 31 W CB -0.401 29.105 29.460 0.076 0.000 1.103 31 W HN -0.056 nan 8.180 nan 0.000 0.670 32 N N -0.096 118.735 118.700 0.219 0.000 2.416 32 N HA -0.062 4.678 4.740 -0.000 0.000 0.177 32 N C 1.227 176.659 175.510 -0.129 0.000 1.036 32 N CA 0.858 53.895 53.050 -0.022 0.000 0.901 32 N CB -0.492 37.852 38.487 -0.239 0.000 0.976 32 N HN -0.090 nan 8.380 nan 0.000 0.444 33 F N 0.213 120.265 119.950 0.170 0.000 2.333 33 F HA 0.044 4.571 4.527 -0.000 0.000 0.300 33 F C 2.358 178.139 175.800 -0.031 0.000 1.083 33 F CA 0.781 58.847 58.000 0.111 0.000 1.395 33 F CB -0.725 38.408 39.000 0.222 0.000 1.056 33 F HN 0.073 nan 8.300 nan 0.000 0.529 34 G N -0.340 108.562 108.800 0.170 0.000 2.404 34 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 34 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 34 G C 1.811 176.699 174.900 -0.019 0.000 1.174 34 G CA 1.058 46.157 45.100 -0.003 0.000 0.780 34 G HN 0.439 nan 8.290 nan 0.000 0.537 35 S N 0.504 116.228 115.700 0.039 0.000 2.406 35 S HA 0.086 4.556 4.470 -0.000 0.000 0.228 35 S C 2.319 176.882 174.600 -0.061 0.000 1.020 35 S CA 0.728 58.935 58.200 0.013 0.000 0.965 35 S CB -0.327 62.917 63.200 0.074 0.000 0.798 35 S HN 0.271 nan 8.310 nan 0.000 0.488 36 L N 0.554 121.726 121.223 -0.086 0.000 2.141 36 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 36 L C 2.515 179.265 176.870 -0.201 0.000 1.094 36 L CA 0.899 55.665 54.840 -0.123 0.000 0.763 36 L CB -0.603 41.388 42.059 -0.114 0.000 0.908 36 L HN 0.317 nan 8.230 nan 0.000 0.437 37 L N -0.489 120.601 121.223 -0.222 0.000 2.093 37 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 37 L C 2.638 179.251 176.870 -0.427 0.000 1.085 37 L CA 1.220 55.819 54.840 -0.402 0.000 0.755 37 L CB -0.893 40.974 42.059 -0.321 0.000 0.904 37 L HN 0.284 nan 8.230 nan 0.000 0.435 38 G N 0.022 108.680 108.800 -0.237 0.000 2.408 38 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 38 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 38 G C 1.595 176.377 174.900 -0.197 0.000 1.150 38 G CA 0.465 45.460 45.100 -0.175 0.000 0.776 38 G HN 0.258 nan 8.290 nan 0.000 0.542 39 I N 0.208 120.662 120.570 -0.193 0.000 2.252 39 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 39 I C 2.745 178.720 176.117 -0.236 0.000 1.102 39 I CA 0.425 61.624 61.300 -0.168 0.000 1.385 39 I CB -0.179 37.747 38.000 -0.123 0.000 1.064 39 I HN 0.179 nan 8.210 nan 0.000 0.414 40 C N 0.201 119.267 119.300 -0.389 0.000 2.429 40 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 40 C C 2.728 177.426 174.990 -0.486 0.000 1.262 40 C CA 0.548 59.256 59.018 -0.518 0.000 1.733 40 C CB -0.890 26.279 27.740 -0.951 0.000 2.010 40 C HN 0.491 nan 8.230 nan 0.000 0.483 41 L N 0.780 121.675 121.223 -0.546 0.000 2.046 41 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 41 L C 2.133 178.922 176.870 -0.134 0.000 1.077 41 L CA 1.850 56.562 54.840 -0.213 0.000 0.747 41 L CB -0.612 41.361 42.059 -0.143 0.000 0.896 41 L HN 0.325 nan 8.230 nan 0.000 0.432 42 I N -1.275 119.213 120.570 -0.137 0.000 2.315 42 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 42 I C 2.321 178.402 176.117 -0.059 0.000 1.117 42 I CA 0.951 62.201 61.300 -0.084 0.000 1.404 42 I CB -0.300 37.661 38.000 -0.066 0.000 1.071 42 I HN 0.325 nan 8.210 nan 0.000 0.419 43 L N 0.442 121.620 121.223 -0.075 0.000 2.017 43 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 43 L C 2.544 179.425 176.870 0.018 0.000 1.073 43 L CA 1.881 56.697 54.840 -0.039 0.000 0.745 43 L CB -0.613 41.410 42.059 -0.060 0.000 0.894 43 L HN 0.169 nan 8.230 nan 0.000 0.432 44 Q N -0.180 119.627 119.800 0.010 0.000 2.084 44 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 44 Q C 2.404 178.472 176.000 0.113 0.000 0.978 44 Q CA 2.108 57.966 55.803 0.091 0.000 0.844 44 Q CB -0.372 28.392 28.738 0.044 0.000 0.898 44 Q HN 0.626 nan 8.270 nan 0.000 0.426 45 I N 0.326 120.876 120.570 -0.033 0.000 2.226 45 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 45 I C 2.207 178.328 176.117 0.007 0.000 1.100 45 I CA 0.835 62.063 61.300 -0.121 0.000 1.374 45 I CB -0.214 37.643 38.000 -0.238 0.000 1.057 45 I HN 0.131 nan 8.210 nan 0.000 0.413 46 L N 0.048 121.305 121.223 0.057 0.000 2.005 46 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 46 L C 2.874 179.860 176.870 0.193 0.000 1.072 46 L CA 2.020 56.944 54.840 0.139 0.000 0.744 46 L CB -1.191 40.910 42.059 0.071 0.000 0.895 46 L HN 0.384 nan 8.230 nan 0.000 0.433 47 T N -2.690 111.932 114.554 0.114 0.000 2.788 47 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 47 T C 1.933 176.641 174.700 0.014 0.000 1.044 47 T CA 1.063 63.221 62.100 0.097 0.000 1.139 47 T CB -1.007 67.944 68.868 0.138 0.000 0.867 47 T HN 0.397 nan 8.240 nan 0.000 0.454 48 G N 1.624 110.386 108.800 -0.063 0.000 2.421 48 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 48 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 48 G C 1.548 176.353 174.900 -0.158 0.000 1.171 48 G CA 0.737 45.647 45.100 -0.316 0.000 0.775 48 G HN 0.513 nan 8.290 nan 0.000 0.543 49 L N -0.847 120.337 121.223 -0.065 0.000 2.046 49 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 49 L C 2.686 179.525 176.870 -0.051 0.000 1.077 49 L CA 0.826 55.613 54.840 -0.088 0.000 0.747 49 L CB -0.346 41.700 42.059 -0.021 0.000 0.896 49 L HN 0.137 nan 8.230 nan 0.000 0.432 50 F N -0.420 119.521 119.950 -0.015 0.000 2.234 50 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 50 F C 2.201 178.062 175.800 0.101 0.000 1.087 50 F CA 1.054 59.081 58.000 0.045 0.000 1.340 50 F CB -0.317 38.705 39.000 0.037 0.000 1.031 50 F HN -0.050 nan 8.300 nan 0.000 0.500 51 L N -0.928 120.390 121.223 0.158 0.000 2.109 51 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 51 L C 2.615 179.584 176.870 0.165 0.000 1.086 51 L CA 0.957 55.868 54.840 0.118 0.000 0.760 51 L CB -0.896 41.113 42.059 -0.082 0.000 0.910 51 L HN 0.084 nan 8.230 nan 0.000 0.437 52 A N -0.401 122.501 122.820 0.137 0.000 2.070 52 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 52 A C 2.214 179.938 177.584 0.234 0.000 1.159 52 A CA 1.240 53.459 52.037 0.304 0.000 0.656 52 A CB -0.467 18.751 19.000 0.363 0.000 0.800 52 A HN 0.378 nan 8.150 nan 0.000 0.453 53 M N -1.260 118.375 119.600 0.058 0.000 2.557 53 M HA -0.033 4.447 4.480 -0.000 0.000 0.259 53 M C 1.125 177.219 176.300 -0.343 0.000 1.086 53 M CA 0.901 56.102 55.300 -0.165 0.000 1.096 53 M CB -0.097 32.296 32.600 -0.345 0.000 1.424 53 M HN 0.499 nan 8.290 nan 0.000 0.488 54 H N -3.123 116.019 119.070 0.120 0.000 3.457 54 H HA 0.148 4.704 4.556 -0.000 0.000 0.255 54 H C -0.342 175.046 175.328 0.100 0.000 1.082 54 H CA -0.187 55.934 56.048 0.122 0.000 1.189 54 H CB 0.395 30.247 29.762 0.150 0.000 1.511 54 H HN 0.221 nan 8.280 nan 0.000 0.527 55 Y N 3.710 124.041 120.300 0.051 0.000 2.346 55 Y HA 0.249 4.799 4.550 -0.000 0.000 0.330 55 Y C 0.267 176.030 175.900 -0.228 0.000 1.178 55 Y CA -0.331 57.702 58.100 -0.111 0.000 1.331 55 Y CB 0.837 39.166 38.460 -0.218 0.000 1.253 55 Y HN -0.046 nan 8.280 nan 0.000 0.529 56 T N 1.188 115.123 114.554 -1.032 0.000 2.824 56 T HA 0.315 4.665 4.350 -0.000 0.000 0.282 56 T C 0.279 174.241 174.700 -1.229 0.000 0.993 56 T CA -0.351 61.257 62.100 -0.820 0.000 0.967 56 T CB 1.223 69.833 68.868 -0.431 0.000 0.960 56 T HN 0.664 nan 8.240 nan 0.000 0.441 57 S N 0.691 115.923 115.700 -0.782 0.000 2.660 57 S HA 0.096 4.566 4.470 -0.000 0.000 0.227 57 S C 0.245 174.610 174.600 -0.390 0.000 0.948 57 S CA -0.542 57.354 58.200 -0.506 0.000 0.948 57 S CB -0.337 62.788 63.200 -0.126 0.000 0.779 57 S HN 0.812 nan 8.310 nan 0.000 0.487 58 D N 2.685 122.857 120.400 -0.380 0.000 2.351 58 D HA 0.084 4.724 4.640 -0.000 0.000 0.251 58 D C 1.460 177.527 176.300 -0.389 0.000 1.137 58 D CA 0.410 54.219 54.000 -0.318 0.000 0.879 58 D CB 1.833 42.492 40.800 -0.234 0.000 1.181 58 D HN 0.327 nan 8.370 nan 0.000 0.448 59 T N -0.127 114.152 114.554 -0.459 0.000 2.897 59 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 59 T C 1.687 176.241 174.700 -0.243 0.000 1.084 59 T CA 1.877 63.630 62.100 -0.578 0.000 1.123 59 T CB -0.484 68.089 68.868 -0.490 0.000 0.865 59 T HN 0.506 nan 8.240 nan 0.000 0.496 60 T N -0.136 114.317 114.554 -0.169 0.000 3.023 60 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 60 T C 1.954 176.609 174.700 -0.076 0.000 1.093 60 T CA 1.226 63.274 62.100 -0.087 0.000 1.129 60 T CB -0.596 68.225 68.868 -0.080 0.000 0.899 60 T HN 0.641 nan 8.240 nan 0.000 0.491 61 T N -2.484 111.991 114.554 -0.132 0.000 3.003 61 T HA 0.642 4.992 4.350 -0.000 0.000 0.261 61 T C 2.099 176.712 174.700 -0.146 0.000 1.003 61 T CA 0.375 62.402 62.100 -0.121 0.000 0.917 61 T CB -0.092 68.678 68.868 -0.162 0.000 1.084 61 T HN 0.348 nan 8.240 nan 0.000 0.522 62 A N 1.894 124.596 122.820 -0.196 0.000 1.849 62 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 62 A C 1.859 179.487 177.584 0.073 0.000 1.202 62 A CA 1.754 53.676 52.037 -0.193 0.000 0.629 62 A CB -1.375 17.549 19.000 -0.126 0.000 0.834 62 A HN 0.481 nan 8.150 nan 0.000 0.447 63 F N 1.252 121.233 119.950 0.052 0.000 2.126 63 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 63 F C 2.675 178.516 175.800 0.068 0.000 1.096 63 F CA 1.967 60.024 58.000 0.095 0.000 1.255 63 F CB -0.255 38.814 39.000 0.115 0.000 0.997 63 F HN 0.207 nan 8.300 nan 0.000 0.479 64 S N -0.477 115.402 115.700 0.297 0.000 2.382 64 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 64 S C 2.251 176.915 174.600 0.106 0.000 1.027 64 S CA 1.338 59.654 58.200 0.193 0.000 0.991 64 S CB -0.698 62.571 63.200 0.114 0.000 0.823 64 S HN 0.613 nan 8.310 nan 0.000 0.469 65 S N 1.316 117.038 115.700 0.037 0.000 2.402 65 S HA -0.035 4.435 4.470 -0.000 0.000 0.229 65 S C 1.815 176.485 174.600 0.116 0.000 1.021 65 S CA 0.968 59.194 58.200 0.043 0.000 0.974 65 S CB -0.592 62.542 63.200 -0.110 0.000 0.800 65 S HN 0.283 nan 8.310 nan 0.000 0.484 66 V N 2.811 122.763 119.914 0.064 0.000 2.453 66 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 66 V C 3.205 179.290 176.094 -0.015 0.000 1.048 66 V CA 1.972 64.279 62.300 0.012 0.000 1.049 66 V CB -1.406 30.357 31.823 -0.100 0.000 0.672 66 V HN 0.880 nan 8.190 nan 0.000 0.457 67 T N -2.111 112.437 114.554 -0.011 0.000 2.951 67 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 67 T C 1.889 176.647 174.700 0.097 0.000 1.073 67 T CA 1.646 63.774 62.100 0.047 0.000 1.134 67 T CB -0.626 68.305 68.868 0.105 0.000 0.884 67 T HN 0.663 nan 8.240 nan 0.000 0.479 68 H N 0.956 120.042 119.070 0.027 0.000 2.357 68 H HA 0.038 4.594 4.556 -0.000 0.000 0.301 68 H C 2.159 177.489 175.328 0.003 0.000 1.082 68 H CA 1.502 57.564 56.048 0.023 0.000 1.342 68 H CB -0.228 29.547 29.762 0.021 0.000 1.389 68 H HN 0.417 nan 8.280 nan 0.000 0.511 69 I N 0.349 120.869 120.570 -0.083 0.000 2.163 69 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 69 I C 2.775 178.828 176.117 -0.107 0.000 1.085 69 I CA 1.294 62.491 61.300 -0.171 0.000 1.347 69 I CB -0.282 37.691 38.000 -0.046 0.000 1.044 69 I HN 0.357 nan 8.210 nan 0.000 0.408 70 C N 0.138 119.440 119.300 0.003 0.000 2.446 70 C HA -0.048 4.412 4.460 -0.000 0.000 0.279 70 C C 2.760 177.830 174.990 0.134 0.000 1.366 70 C CA 0.609 59.708 59.018 0.135 0.000 1.763 70 C CB -1.276 26.576 27.740 0.187 0.000 1.929 70 C HN 0.431 nan 8.230 nan 0.000 0.509 71 R N 0.120 120.642 120.500 0.037 0.000 2.123 71 R HA 0.045 4.385 4.340 -0.000 0.000 0.209 71 R C 1.126 177.408 176.300 -0.030 0.000 1.078 71 R CA 0.848 56.961 56.100 0.022 0.000 1.028 71 R CB -0.023 30.301 30.300 0.040 0.000 0.939 71 R HN 0.442 nan 8.270 nan 0.000 0.463 72 D N -0.287 120.028 120.400 -0.142 0.000 2.454 72 D HA 0.082 4.722 4.640 -0.000 0.000 0.214 72 D C -0.008 176.155 176.300 -0.228 0.000 1.088 72 D CA 0.246 54.146 54.000 -0.168 0.000 0.855 72 D CB 0.810 41.538 40.800 -0.119 0.000 1.025 72 D HN -0.123 nan 8.370 nan 0.000 0.502 73 V N 2.975 122.685 119.914 -0.341 0.000 2.555 73 V HA 0.051 4.171 4.120 -0.000 0.000 0.286 73 V C 0.443 176.443 176.094 -0.157 0.000 1.044 73 V CA -0.717 61.402 62.300 -0.302 0.000 1.026 73 V CB 0.863 32.380 31.823 -0.509 0.000 0.981 73 V HN 0.074 nan 8.190 nan 0.000 0.480 74 N N 4.690 123.335 118.700 -0.092 0.000 2.411 74 N HA 0.002 4.742 4.740 -0.000 0.000 0.265 74 N C 0.178 175.654 175.510 -0.056 0.000 1.266 74 N CA 0.356 53.349 53.050 -0.096 0.000 0.889 74 N CB -0.252 38.256 38.487 0.036 0.000 1.069 74 N HN 0.744 nan 8.380 nan 0.000 0.476 75 Y N -1.305 118.928 120.300 -0.111 0.000 4.538 75 Y HA -0.270 4.279 4.550 -0.000 0.000 0.225 75 Y C 1.778 177.407 175.900 -0.452 0.000 1.074 75 Y CA 0.837 58.695 58.100 -0.403 0.000 1.942 75 Y CB -1.826 36.433 38.460 -0.335 0.000 1.618 75 Y HN 0.705 nan 8.280 nan 0.000 0.642 76 G N 0.409 109.108 108.800 -0.167 0.000 2.422 76 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 76 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 76 G C 1.371 176.232 174.900 -0.065 0.000 1.146 76 G CA 0.953 45.980 45.100 -0.121 0.000 0.769 76 G HN 0.787 nan 8.290 nan 0.000 0.547 77 W N 0.373 121.697 121.300 0.040 0.000 2.363 77 W HA 0.097 4.757 4.660 -0.000 0.000 0.296 77 W C 1.921 178.578 176.519 0.230 0.000 1.212 77 W CA 0.452 57.887 57.345 0.150 0.000 1.260 77 W CB -1.037 28.530 29.460 0.179 0.000 1.131 77 W HN 0.215 nan 8.180 nan 0.000 0.530 78 I N 1.029 121.162 120.570 -0.729 0.000 2.439 78 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 78 I C 2.501 178.511 176.117 -0.179 0.000 1.139 78 I CA 1.202 62.175 61.300 -0.546 0.000 1.438 78 I CB -0.156 37.227 38.000 -1.029 0.000 1.085 78 I HN -0.179 nan 8.210 nan 0.000 0.427 79 I N 0.196 120.651 120.570 -0.192 0.000 2.315 79 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 79 I C 2.657 178.764 176.117 -0.017 0.000 1.117 79 I CA 0.699 61.944 61.300 -0.093 0.000 1.404 79 I CB -0.521 37.429 38.000 -0.082 0.000 1.071 79 I HN 0.221 nan 8.210 nan 0.000 0.419 80 R N 0.979 121.451 120.500 -0.046 0.000 2.062 80 R HA -0.187 4.152 4.340 -0.000 0.000 0.231 80 R C 2.226 178.445 176.300 -0.135 0.000 1.136 80 R CA 1.976 58.004 56.100 -0.121 0.000 0.948 80 R CB -0.676 29.472 30.300 -0.253 0.000 0.845 80 R HN 0.280 nan 8.270 nan 0.000 0.430 81 Y N 0.058 120.455 120.300 0.160 0.000 2.439 81 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 81 Y C 2.404 178.391 175.900 0.145 0.000 1.130 81 Y CA 0.965 59.172 58.100 0.178 0.000 1.254 81 Y CB -0.230 38.366 38.460 0.227 0.000 1.000 81 Y HN 0.030 nan 8.280 nan 0.000 0.554 82 M N -1.732 117.987 119.600 0.197 0.000 2.254 82 M HA -0.175 4.305 4.480 -0.000 0.000 0.265 82 M C 1.962 178.350 176.300 0.147 0.000 1.066 82 M CA 1.430 56.813 55.300 0.138 0.000 1.123 82 M CB -0.258 32.378 32.600 0.060 0.000 1.388 82 M HN 0.283 nan 8.290 nan 0.000 0.425 83 H N 0.249 119.351 119.070 0.054 0.000 2.326 83 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 83 H C 1.923 177.309 175.328 0.096 0.000 1.081 83 H CA 2.054 58.137 56.048 0.059 0.000 1.334 83 H CB 0.069 29.851 29.762 0.033 0.000 1.385 83 H HN 0.303 nan 8.280 nan 0.000 0.504 84 A N 0.557 123.469 122.820 0.153 0.000 1.858 84 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 84 A C 2.221 179.909 177.584 0.174 0.000 1.190 84 A CA 1.755 53.880 52.037 0.146 0.000 0.617 84 A CB -0.477 18.635 19.000 0.186 0.000 0.827 84 A HN 0.558 nan 8.150 nan 0.000 0.443 85 N N -0.145 118.682 118.700 0.212 0.000 2.396 85 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 85 N C 1.768 177.384 175.510 0.177 0.000 1.028 85 N CA 1.057 54.241 53.050 0.223 0.000 0.893 85 N CB -0.319 38.301 38.487 0.222 0.000 0.967 85 N HN 0.511 nan 8.380 nan 0.000 0.440 86 G N 0.933 109.799 108.800 0.110 0.000 2.408 86 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 86 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 86 G C 1.673 176.626 174.900 0.088 0.000 1.150 86 G CA 0.888 46.028 45.100 0.066 0.000 0.776 86 G HN 0.369 nan 8.290 nan 0.000 0.542 87 A N 0.634 123.487 122.820 0.056 0.000 1.933 87 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 87 A C 2.677 180.350 177.584 0.149 0.000 1.175 87 A CA 2.199 54.268 52.037 0.052 0.000 0.628 87 A CB -0.564 18.442 19.000 0.009 0.000 0.814 87 A HN 0.300 nan 8.150 nan 0.000 0.444 88 S N -0.684 115.192 115.700 0.294 0.000 2.368 88 S HA -0.102 4.367 4.470 -0.000 0.000 0.224 88 S C 2.038 176.926 174.600 0.480 0.000 1.029 88 S CA 1.523 60.044 58.200 0.535 0.000 0.988 88 S CB -0.284 63.351 63.200 0.725 0.000 0.838 88 S HN 0.471 nan 8.310 nan 0.000 0.462 89 M N 0.163 119.946 119.600 0.304 0.000 2.159 89 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 89 M C 1.794 178.199 176.300 0.175 0.000 1.063 89 M CA 1.106 56.540 55.300 0.224 0.000 1.110 89 M CB -1.410 31.267 32.600 0.127 0.000 1.374 89 M HN 0.280 nan 8.290 nan 0.000 0.411 90 F N 0.640 120.547 119.950 -0.071 0.000 2.069 90 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 90 F C 2.099 177.648 175.800 -0.419 0.000 1.113 90 F CA 1.522 59.357 58.000 -0.276 0.000 1.214 90 F CB -0.783 37.956 39.000 -0.435 0.000 0.978 90 F HN -0.009 nan 8.300 nan 0.000 0.474 91 F N -0.207 119.664 119.950 -0.130 0.000 2.186 91 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 91 F C 2.428 178.067 175.800 -0.269 0.000 1.090 91 F CA 1.187 58.896 58.000 -0.485 0.000 1.307 91 F CB -0.714 37.744 39.000 -0.904 0.000 1.019 91 F HN -0.100 nan 8.300 nan 0.000 0.489 92 I N -0.990 119.770 120.570 0.316 0.000 2.163 92 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 92 I C 2.329 178.556 176.117 0.184 0.000 1.085 92 I CA 1.114 62.636 61.300 0.371 0.000 1.347 92 I CB -0.570 37.648 38.000 0.363 0.000 1.044 92 I HN 0.229 nan 8.210 nan 0.000 0.408 93 C N 0.333 119.726 119.300 0.156 0.000 2.440 93 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 93 C C 2.714 177.743 174.990 0.065 0.000 1.295 93 C CA 0.409 59.532 59.018 0.175 0.000 1.738 93 C CB -0.932 26.928 27.740 0.200 0.000 1.987 93 C HN 0.451 nan 8.230 nan 0.000 0.492 94 L N -0.527 120.677 121.223 -0.032 0.000 2.017 94 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 94 L C 2.585 179.509 176.870 0.089 0.000 1.073 94 L CA 1.684 56.492 54.840 -0.054 0.000 0.745 94 L CB -0.640 41.232 42.059 -0.312 0.000 0.894 94 L HN 0.303 nan 8.230 nan 0.000 0.432 95 Y N -1.199 119.168 120.300 0.111 0.000 2.293 95 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 95 Y C 2.553 178.467 175.900 0.023 0.000 1.137 95 Y CA 0.626 58.772 58.100 0.076 0.000 1.202 95 Y CB -0.560 37.968 38.460 0.114 0.000 0.990 95 Y HN 0.147 nan 8.280 nan 0.000 0.537 96 M N -1.220 118.427 119.600 0.079 0.000 2.132 96 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 96 M C 2.121 178.402 176.300 -0.031 0.000 1.065 96 M CA 1.655 56.884 55.300 -0.118 0.000 1.122 96 M CB -1.474 30.604 32.600 -0.870 0.000 1.365 96 M HN 0.318 nan 8.290 nan 0.000 0.411 97 H N 0.617 119.642 119.070 -0.074 0.000 2.319 97 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 97 H C 1.946 177.332 175.328 0.096 0.000 1.092 97 H CA 2.017 58.112 56.048 0.078 0.000 1.302 97 H CB -0.072 29.762 29.762 0.119 0.000 1.373 97 H HN 0.066 nan 8.280 nan 0.000 0.497 98 V N -0.160 119.846 119.914 0.153 0.000 2.358 98 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 98 V C 2.715 178.909 176.094 0.168 0.000 1.047 98 V CA 1.709 64.085 62.300 0.127 0.000 1.035 98 V CB -1.151 30.755 31.823 0.137 0.000 0.658 98 V HN 0.707 nan 8.190 nan 0.000 0.452 99 G N 0.072 108.939 108.800 0.112 0.000 2.418 99 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 99 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 99 G C 1.730 176.637 174.900 0.011 0.000 1.158 99 G CA 0.826 45.988 45.100 0.103 0.000 0.771 99 G HN 0.329 nan 8.290 nan 0.000 0.545 100 R N 1.213 121.664 120.500 -0.082 0.000 2.083 100 R HA -0.062 4.278 4.340 -0.000 0.000 0.237 100 R C 2.695 178.974 176.300 -0.034 0.000 1.137 100 R CA 2.049 58.070 56.100 -0.131 0.000 0.951 100 R CB -1.334 28.894 30.300 -0.120 0.000 0.851 100 R HN 0.285 nan 8.270 nan 0.000 0.434 101 G N 1.373 110.186 108.800 0.021 0.000 2.440 101 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 101 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 101 G C 1.795 176.770 174.900 0.125 0.000 1.154 101 G CA 0.831 46.019 45.100 0.147 0.000 0.767 101 G HN 0.311 nan 8.290 nan 0.000 0.552 102 L N -1.251 120.107 121.223 0.225 0.000 1.994 102 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 102 L C 2.582 179.450 176.870 -0.003 0.000 1.071 102 L CA 1.400 56.374 54.840 0.223 0.000 0.745 102 L CB -0.585 41.649 42.059 0.291 0.000 0.892 102 L HN 0.267 nan 8.230 nan 0.000 0.431 103 Y N -0.326 119.699 120.300 -0.458 0.000 2.165 103 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 103 Y C 2.039 177.445 175.900 -0.823 0.000 1.155 103 Y CA 1.690 59.174 58.100 -1.026 0.000 1.164 103 Y CB -0.148 37.299 38.460 -1.689 0.000 0.978 103 Y HN 0.083 nan 8.280 nan 0.000 0.513 104 Y N -0.292 119.916 120.300 -0.153 0.000 2.466 104 Y HA 0.270 4.820 4.550 -0.000 0.000 0.272 104 Y C 1.787 177.500 175.900 -0.312 0.000 1.169 104 Y CA 0.212 58.226 58.100 -0.143 0.000 1.285 104 Y CB -0.009 38.481 38.460 0.050 0.000 1.078 104 Y HN 0.206 nan 8.280 nan 0.000 0.523 105 G N -0.449 108.098 108.800 -0.423 0.000 2.176 105 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.252 105 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.252 105 G C 1.190 175.444 174.900 -1.076 0.000 1.024 105 G CA 0.651 45.147 45.100 -1.007 0.000 0.755 105 G HN 0.360 nan 8.290 nan 0.000 0.507 106 S N -0.556 114.744 115.700 -0.667 0.000 2.474 106 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 106 S C 1.892 176.172 174.600 -0.533 0.000 0.997 106 S CA 1.599 59.494 58.200 -0.508 0.000 0.949 106 S CB -0.378 62.754 63.200 -0.114 0.000 0.766 106 S HN 0.983 nan 8.310 nan 0.000 0.517 107 Y N 2.147 122.115 120.300 -0.554 0.000 2.639 107 Y HA -0.005 4.545 4.550 -0.000 0.000 0.297 107 Y C 2.142 177.731 175.900 -0.519 0.000 1.151 107 Y CA 0.766 58.347 58.100 -0.866 0.000 1.335 107 Y CB -2.073 35.181 38.460 -2.010 0.000 0.994 107 Y HN 0.260 nan 8.280 nan 0.000 0.548 108 T N -3.509 110.696 114.554 -0.582 0.000 3.072 108 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 108 T C 0.178 174.812 174.700 -0.109 0.000 1.127 108 T CA 0.029 61.918 62.100 -0.351 0.000 1.107 108 T CB -0.777 67.793 68.868 -0.496 0.000 0.910 108 T HN 0.133 nan 8.240 nan 0.000 0.513 109 F N 2.504 122.432 119.950 -0.036 0.000 2.567 109 F HA 0.476 5.002 4.527 -0.000 0.000 0.352 109 F C 1.357 177.218 175.800 0.101 0.000 1.229 109 F CA -2.297 55.730 58.000 0.045 0.000 1.228 109 F CB -0.684 38.366 39.000 0.084 0.000 1.568 109 F HN 0.038 nan 8.300 nan 0.000 0.634 110 L N 0.302 121.658 121.223 0.221 0.000 2.021 110 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 110 L C 2.024 178.982 176.870 0.146 0.000 1.074 110 L CA 1.599 56.546 54.840 0.178 0.000 0.760 110 L CB -0.362 41.755 42.059 0.097 0.000 0.889 110 L HN 0.305 nan 8.230 nan 0.000 0.433 111 E N -0.261 119.939 120.200 -0.001 0.000 2.051 111 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 111 E C 2.172 178.671 176.600 -0.168 0.000 0.991 111 E CA 1.781 58.002 56.400 -0.298 0.000 0.799 111 E CB -0.565 28.644 29.700 -0.818 0.000 0.748 111 E HN 0.342 nan 8.360 nan 0.000 0.449 112 T N 0.611 115.195 114.554 0.050 0.000 2.720 112 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 112 T C 1.302 176.227 174.700 0.375 0.000 1.037 112 T CA 1.247 63.472 62.100 0.208 0.000 1.144 112 T CB -0.380 68.598 68.868 0.183 0.000 0.864 112 T HN 0.390 nan 8.240 nan 0.000 0.444 113 W N 2.411 123.825 121.300 0.189 0.000 2.379 113 W HA -0.134 4.526 4.660 -0.000 0.000 0.307 113 W C 1.753 178.345 176.519 0.122 0.000 1.200 113 W CA 0.971 58.428 57.345 0.186 0.000 1.297 113 W CB -0.461 29.101 29.460 0.171 0.000 1.140 113 W HN 0.212 nan 8.180 nan 0.000 0.507 114 N N 1.013 119.836 118.700 0.206 0.000 2.166 114 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 114 N C 1.745 177.231 175.510 -0.041 0.000 1.019 114 N CA 1.945 55.026 53.050 0.051 0.000 0.856 114 N CB -0.818 37.717 38.487 0.081 0.000 0.993 114 N HN 0.287 nan 8.380 nan 0.000 0.426 115 I N 0.523 121.090 120.570 -0.004 0.000 2.315 115 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 115 I C 2.380 178.426 176.117 -0.118 0.000 1.117 115 I CA 1.043 62.337 61.300 -0.009 0.000 1.404 115 I CB -0.551 37.517 38.000 0.112 0.000 1.071 115 I HN 0.127 nan 8.210 nan 0.000 0.419 116 G N 0.587 109.299 108.800 -0.146 0.000 2.440 116 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 116 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 116 G C 1.696 176.397 174.900 -0.332 0.000 1.154 116 G CA 0.987 45.885 45.100 -0.337 0.000 0.767 116 G HN 0.261 nan 8.290 nan 0.000 0.552 117 V N 1.006 120.715 119.914 -0.341 0.000 2.427 117 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 117 V C 2.761 178.772 176.094 -0.137 0.000 1.051 117 V CA 1.404 63.553 62.300 -0.252 0.000 1.048 117 V CB -0.334 31.372 31.823 -0.193 0.000 0.666 117 V HN 0.397 nan 8.190 nan 0.000 0.456 118 I N -0.540 119.961 120.570 -0.114 0.000 2.226 118 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 118 I C 2.328 178.389 176.117 -0.093 0.000 1.100 118 I CA 1.519 62.774 61.300 -0.075 0.000 1.374 118 I CB -0.264 37.705 38.000 -0.052 0.000 1.057 118 I HN 0.260 nan 8.210 nan 0.000 0.413 119 L N -0.178 120.961 121.223 -0.139 0.000 2.046 119 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 119 L C 2.553 179.333 176.870 -0.150 0.000 1.077 119 L CA 0.998 55.745 54.840 -0.155 0.000 0.747 119 L CB -0.504 41.419 42.059 -0.226 0.000 0.896 119 L HN 0.286 nan 8.230 nan 0.000 0.432 120 L N -0.209 120.932 121.223 -0.136 0.000 2.017 120 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 120 L C 2.285 179.136 176.870 -0.032 0.000 1.073 120 L CA 1.766 56.553 54.840 -0.090 0.000 0.745 120 L CB -0.426 41.611 42.059 -0.036 0.000 0.894 120 L HN 0.104 nan 8.230 nan 0.000 0.432 121 L N -1.234 119.976 121.223 -0.022 0.000 2.093 121 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 121 L C 2.284 179.152 176.870 -0.004 0.000 1.085 121 L CA 1.642 56.487 54.840 0.009 0.000 0.755 121 L CB -0.924 41.134 42.059 -0.001 0.000 0.904 121 L HN 0.289 nan 8.230 nan 0.000 0.435 122 T N -0.946 113.581 114.554 -0.045 0.000 2.857 122 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 122 T C 1.989 176.640 174.700 -0.082 0.000 1.048 122 T CA 1.021 63.089 62.100 -0.053 0.000 1.139 122 T CB -0.115 68.712 68.868 -0.069 0.000 0.874 122 T HN 0.046 nan 8.240 nan 0.000 0.455 123 V N 1.650 121.461 119.914 -0.171 0.000 2.427 123 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 123 V C 2.460 178.496 176.094 -0.097 0.000 1.051 123 V CA 1.496 63.593 62.300 -0.337 0.000 1.048 123 V CB -0.607 30.776 31.823 -0.734 0.000 0.666 123 V HN 0.497 nan 8.190 nan 0.000 0.456 124 M N -0.190 119.480 119.600 0.116 0.000 2.117 124 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 124 M C 2.412 178.936 176.300 0.373 0.000 1.065 124 M CA 2.153 57.714 55.300 0.435 0.000 1.114 124 M CB -0.598 32.219 32.600 0.361 0.000 1.361 124 M HN 0.395 nan 8.290 nan 0.000 0.408 125 A N -0.050 122.893 122.820 0.204 0.000 1.902 125 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 125 A C 2.199 179.928 177.584 0.242 0.000 1.181 125 A CA 2.181 54.358 52.037 0.234 0.000 0.623 125 A CB -1.121 17.944 19.000 0.108 0.000 0.818 125 A HN 0.453 nan 8.150 nan 0.000 0.443 126 T N 0.310 114.949 114.554 0.142 0.000 2.708 126 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 126 T C 2.221 177.083 174.700 0.269 0.000 1.037 126 T CA 1.640 63.830 62.100 0.150 0.000 1.146 126 T CB -0.445 68.414 68.868 -0.015 0.000 0.865 126 T HN 0.588 nan 8.240 nan 0.000 0.435 127 A N 1.227 124.185 122.820 0.230 0.000 1.969 127 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 127 A C 1.996 179.785 177.584 0.341 0.000 1.169 127 A CA 1.324 53.513 52.037 0.253 0.000 0.635 127 A CB -0.859 18.282 19.000 0.236 0.000 0.810 127 A HN 0.518 nan 8.150 nan 0.000 0.445 128 F N 0.599 120.743 119.950 0.323 0.000 2.075 128 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 128 F C 2.135 178.089 175.800 0.258 0.000 1.113 128 F CA 2.055 60.261 58.000 0.343 0.000 1.218 128 F CB -0.650 38.500 39.000 0.250 0.000 0.984 128 F HN 0.162 nan 8.300 nan 0.000 0.472 129 M N 0.475 119.778 119.600 -0.494 0.000 2.213 129 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 129 M C 2.454 178.565 176.300 -0.316 0.000 1.062 129 M CA 1.624 56.559 55.300 -0.609 0.000 1.105 129 M CB -1.271 31.053 32.600 -0.461 0.000 1.385 129 M HN 0.405 nan 8.290 nan 0.000 0.417 130 G N -0.827 107.733 108.800 -0.400 0.000 2.402 130 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.216 130 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.216 130 G C 1.290 176.099 174.900 -0.153 0.000 1.162 130 G CA 0.442 45.084 45.100 -0.764 0.000 0.777 130 G HN 0.383 nan 8.290 nan 0.000 0.539 131 Y N 1.216 121.460 120.300 -0.094 0.000 2.403 131 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 131 Y C 2.670 178.596 175.900 0.044 0.000 1.143 131 Y CA 0.477 58.587 58.100 0.016 0.000 1.257 131 Y CB -0.021 38.508 38.460 0.116 0.000 0.984 131 Y HN 0.067 nan 8.280 nan 0.000 0.550 132 V N -0.359 119.586 119.914 0.051 0.000 2.591 132 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 132 V C 2.394 178.590 176.094 0.171 0.000 1.053 132 V CA 1.205 63.564 62.300 0.099 0.000 1.068 132 V CB -0.587 31.366 31.823 0.218 0.000 0.689 132 V HN 0.342 nan 8.190 nan 0.000 0.462 133 L N 1.023 122.281 121.223 0.059 0.000 2.043 133 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 133 L C 0.123 177.091 176.870 0.165 0.000 1.075 133 L CA 1.840 56.701 54.840 0.035 0.000 0.752 133 L CB -2.117 39.753 42.059 -0.315 0.000 0.891 133 L HN 0.398 nan 8.230 nan 0.000 0.432 134 P HA -0.242 nan 4.420 nan 0.000 0.234 134 P C 0.370 177.882 177.300 0.353 0.000 1.167 134 P CA 0.649 63.826 63.100 0.128 0.000 0.763 134 P CB -0.171 31.483 31.700 -0.077 0.000 0.835 135 W N 0.246 121.586 121.300 0.065 0.000 5.563 135 W HA -0.147 4.513 4.660 -0.000 0.000 0.396 135 W C -0.094 176.521 176.519 0.160 0.000 1.519 135 W CA 0.013 57.412 57.345 0.090 0.000 0.953 135 W CB -1.333 28.184 29.460 0.096 0.000 2.691 135 W HN -0.016 nan 8.180 nan 0.000 1.444 136 G N 0.461 109.345 108.800 0.140 0.000 2.568 136 G HA2 0.207 4.167 3.960 -0.000 0.000 0.293 136 G HA3 0.207 4.167 3.960 -0.000 0.000 0.293 136 G C 0.527 175.368 174.900 -0.098 0.000 1.347 136 G CA -0.033 45.139 45.100 0.120 0.000 1.039 136 G HN 0.210 nan 8.290 nan 0.000 0.523 137 Q N -0.937 118.846 119.800 -0.028 0.000 2.084 137 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 137 Q C 2.706 178.772 176.000 0.111 0.000 0.978 137 Q CA 1.055 56.877 55.803 0.031 0.000 0.844 137 Q CB -0.192 28.631 28.738 0.142 0.000 0.898 137 Q HN 0.431 nan 8.270 nan 0.000 0.426 138 M N -0.031 119.601 119.600 0.053 0.000 2.175 138 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 138 M C 2.176 178.434 176.300 -0.070 0.000 1.063 138 M CA 1.013 56.357 55.300 0.074 0.000 1.119 138 M CB -1.001 31.659 32.600 0.099 0.000 1.377 138 M HN 0.009 nan 8.290 nan 0.000 0.415 139 S N 0.762 116.294 115.700 -0.279 0.000 2.351 139 S HA -0.162 4.308 4.470 -0.000 0.000 0.220 139 S C 1.772 176.251 174.600 -0.201 0.000 1.035 139 S CA 1.399 59.447 58.200 -0.254 0.000 1.031 139 S CB -0.612 62.483 63.200 -0.174 0.000 0.928 139 S HN 0.441 nan 8.310 nan 0.000 0.433 140 F N 0.612 120.200 119.950 -0.603 0.000 2.134 140 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 140 F C 1.770 177.128 175.800 -0.737 0.000 1.097 140 F CA 1.267 58.695 58.000 -0.953 0.000 1.264 140 F CB -0.336 37.814 39.000 -1.417 0.000 1.001 140 F HN 0.239 nan 8.300 nan 0.000 0.479 141 W N -0.130 121.193 121.300 0.038 0.000 2.518 141 W HA 0.117 4.777 4.660 -0.000 0.000 0.273 141 W C 2.561 179.109 176.519 0.048 0.000 1.247 141 W CA 0.775 58.146 57.345 0.042 0.000 1.288 141 W CB -0.941 28.577 29.460 0.096 0.000 1.107 141 W HN 0.070 nan 8.180 nan 0.000 0.586 142 G N 0.420 109.371 108.800 0.253 0.000 2.402 142 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 142 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 142 G C 1.677 176.815 174.900 0.397 0.000 1.162 142 G CA 1.160 46.455 45.100 0.326 0.000 0.777 142 G HN 0.251 nan 8.290 nan 0.000 0.539 143 A N 0.312 123.344 122.820 0.354 0.000 1.933 143 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 143 A C 2.516 180.267 177.584 0.278 0.000 1.175 143 A CA 2.438 54.751 52.037 0.459 0.000 0.628 143 A CB -0.880 18.160 19.000 0.066 0.000 0.814 143 A HN 0.300 nan 8.150 nan 0.000 0.444 144 T N -0.434 114.115 114.554 -0.009 0.000 2.643 144 T HA -0.115 4.235 4.350 -0.000 0.000 0.264 144 T C 1.925 176.813 174.700 0.314 0.000 1.045 144 T CA 1.684 63.840 62.100 0.094 0.000 1.155 144 T CB -0.500 68.371 68.868 0.005 0.000 0.863 144 T HN 0.140 nan 8.240 nan 0.000 0.420 145 V N 1.342 121.407 119.914 0.253 0.000 2.261 145 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 145 V C 2.429 178.575 176.094 0.087 0.000 1.047 145 V CA 1.559 63.969 62.300 0.184 0.000 1.015 145 V CB -0.615 31.305 31.823 0.162 0.000 0.642 145 V HN 0.455 nan 8.190 nan 0.000 0.446 146 I N -0.068 120.500 120.570 -0.003 0.000 2.226 146 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 146 I C 2.501 178.560 176.117 -0.096 0.000 1.100 146 I CA 1.889 63.056 61.300 -0.223 0.000 1.374 146 I CB -0.628 36.902 38.000 -0.783 0.000 1.057 146 I HN 0.324 nan 8.210 nan 0.000 0.413 147 T N 0.266 114.898 114.554 0.130 0.000 2.821 147 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 147 T C 1.679 176.387 174.700 0.013 0.000 1.046 147 T CA 1.034 63.235 62.100 0.167 0.000 1.139 147 T CB -0.303 68.806 68.868 0.402 0.000 0.871 147 T HN 0.249 nan 8.240 nan 0.000 0.454 148 N N 1.161 119.905 118.700 0.075 0.000 2.573 148 N HA 0.078 4.818 4.740 -0.000 0.000 0.187 148 N C 1.596 177.096 175.510 -0.017 0.000 1.107 148 N CA 0.308 53.365 53.050 0.012 0.000 0.918 148 N CB -0.342 38.223 38.487 0.130 0.000 0.966 148 N HN 0.419 nan 8.380 nan 0.000 0.448 149 L N 0.139 121.345 121.223 -0.028 0.000 2.127 149 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 149 L C 1.952 178.791 176.870 -0.052 0.000 1.089 149 L CA 0.748 55.560 54.840 -0.047 0.000 0.757 149 L CB -0.277 41.736 42.059 -0.076 0.000 0.899 149 L HN 0.166 nan 8.230 nan 0.000 0.434 150 L N -0.577 120.612 121.223 -0.058 0.000 2.275 150 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 150 L C 2.649 179.479 176.870 -0.067 0.000 1.119 150 L CA 1.049 55.854 54.840 -0.058 0.000 0.790 150 L CB -0.524 41.504 42.059 -0.052 0.000 0.919 150 L HN 0.365 nan 8.230 nan 0.000 0.443 151 S N -0.123 115.534 115.700 -0.071 0.000 2.547 151 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 151 S C 1.937 176.503 174.600 -0.056 0.000 0.980 151 S CA 0.644 58.807 58.200 -0.062 0.000 0.941 151 S CB -0.200 62.972 63.200 -0.047 0.000 0.763 151 S HN 0.349 nan 8.310 nan 0.000 0.532 152 A N 1.113 123.897 122.820 -0.059 0.000 2.119 152 A HA 0.375 4.695 4.320 -0.000 0.000 0.216 152 A C 0.911 178.438 177.584 -0.095 0.000 1.152 152 A CA -0.014 51.982 52.037 -0.068 0.000 0.708 152 A CB -0.504 18.460 19.000 -0.060 0.000 0.805 152 A HN 0.610 nan 8.150 nan 0.000 0.460 153 I N 1.614 122.128 120.570 -0.093 0.000 2.517 153 I HA 0.109 4.279 4.170 -0.000 0.000 0.285 153 I C -2.269 173.746 176.117 -0.170 0.000 1.106 153 I CA -1.836 59.395 61.300 -0.115 0.000 1.402 153 I CB 0.894 38.844 38.000 -0.082 0.000 1.399 153 I HN 0.040 nan 8.210 nan 0.000 0.535 154 P HA -0.012 nan 4.420 nan 0.000 0.266 154 P C -0.285 176.701 177.300 -0.524 0.000 1.195 154 P CA 0.469 63.217 63.100 -0.587 0.000 0.768 154 P CB 0.171 31.331 31.700 -0.899 0.000 0.838 155 Y N 0.688 120.978 120.300 -0.017 0.000 3.062 155 Y HA -0.332 4.217 4.550 -0.000 0.000 0.481 155 Y C 1.415 177.304 175.900 -0.018 0.000 1.129 155 Y CA 1.155 59.245 58.100 -0.016 0.000 2.748 155 Y CB -1.811 36.638 38.460 -0.019 0.000 0.834 155 Y HN 0.404 nan 8.280 nan 0.000 0.534 156 I N -2.633 117.985 120.570 0.080 0.000 4.154 156 I HA 0.517 4.687 4.170 -0.000 0.000 0.334 156 I C 1.899 178.011 176.117 -0.007 0.000 1.371 156 I CA 0.584 61.904 61.300 0.033 0.000 1.110 156 I CB 0.117 38.126 38.000 0.014 0.000 1.085 156 I HN 0.161 nan 8.210 nan 0.000 0.398 157 G N 2.118 110.900 108.800 -0.030 0.000 2.553 157 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 157 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 157 G C 1.414 176.287 174.900 -0.046 0.000 1.195 157 G CA 2.061 47.133 45.100 -0.047 0.000 0.779 157 G HN 0.379 nan 8.290 nan 0.000 0.577 158 T N 1.255 115.794 114.554 -0.026 0.000 2.759 158 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 158 T C 2.316 177.010 174.700 -0.010 0.000 1.042 158 T CA 1.347 63.435 62.100 -0.021 0.000 1.140 158 T CB -0.280 68.606 68.868 0.029 0.000 0.864 158 T HN 0.291 nan 8.240 nan 0.000 0.455 159 N N 1.164 119.876 118.700 0.019 0.000 2.188 159 N HA 0.025 4.765 4.740 -0.000 0.000 0.184 159 N C 1.940 177.482 175.510 0.053 0.000 1.018 159 N CA 0.838 53.914 53.050 0.043 0.000 0.858 159 N CB -0.370 38.134 38.487 0.028 0.000 0.989 159 N HN 0.355 nan 8.380 nan 0.000 0.426 160 L N 0.830 122.065 121.223 0.020 0.000 2.046 160 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 160 L C 2.325 179.234 176.870 0.065 0.000 1.077 160 L CA 0.750 55.637 54.840 0.078 0.000 0.747 160 L CB -0.395 41.678 42.059 0.024 0.000 0.896 160 L HN -0.043 nan 8.230 nan 0.000 0.432 161 V N -0.021 119.813 119.914 -0.134 0.000 2.295 161 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 161 V C 2.300 178.058 176.094 -0.560 0.000 1.049 161 V CA 1.870 63.895 62.300 -0.459 0.000 1.024 161 V CB -0.540 30.879 31.823 -0.674 0.000 0.648 161 V HN 0.489 nan 8.190 nan 0.000 0.447 162 E N -1.171 118.873 120.200 -0.260 0.000 2.204 162 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 162 E C 1.928 178.567 176.600 0.064 0.000 0.989 162 E CA 1.439 57.813 56.400 -0.043 0.000 0.824 162 E CB -0.224 29.502 29.700 0.044 0.000 0.756 162 E HN 0.787 nan 8.360 nan 0.000 0.477 163 W N 1.571 122.828 121.300 -0.072 0.000 2.381 163 W HA -0.114 4.546 4.660 -0.000 0.000 0.301 163 W C 1.762 178.310 176.519 0.049 0.000 1.205 163 W CA 0.872 58.211 57.345 -0.012 0.000 1.285 163 W CB -0.055 29.399 29.460 -0.009 0.000 1.133 163 W HN -0.088 nan 8.180 nan 0.000 0.521 164 I N -0.334 120.230 120.570 -0.010 0.000 2.226 164 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 164 I C 1.999 178.174 176.117 0.096 0.000 1.100 164 I CA 1.423 62.687 61.300 -0.061 0.000 1.374 164 I CB -1.737 36.321 38.000 0.097 0.000 1.057 164 I HN 0.134 nan 8.210 nan 0.000 0.413 165 W N 0.896 122.184 121.300 -0.020 0.000 2.402 165 W HA 0.070 4.730 4.660 -0.000 0.000 0.286 165 W C 1.829 178.265 176.519 -0.140 0.000 1.221 165 W CA 1.409 58.705 57.345 -0.080 0.000 1.257 165 W CB -1.088 28.337 29.460 -0.059 0.000 1.120 165 W HN 0.422 nan 8.180 nan 0.000 0.551 166 G N 0.177 109.017 108.800 0.066 0.000 2.149 166 G HA2 0.098 4.058 3.960 -0.000 0.000 0.235 166 G HA3 0.098 4.058 3.960 -0.000 0.000 0.235 166 G C 0.382 175.244 174.900 -0.064 0.000 1.018 166 G CA 0.354 45.424 45.100 -0.050 0.000 0.728 166 G HN 0.746 nan 8.290 nan 0.000 0.508 167 G N -2.273 106.492 108.800 -0.058 0.000 2.325 167 G HA2 0.541 4.501 3.960 -0.000 0.000 0.295 167 G HA3 0.541 4.501 3.960 -0.000 0.000 0.295 167 G C -0.075 174.706 174.900 -0.199 0.000 1.274 167 G CA 0.027 44.982 45.100 -0.242 0.000 0.857 167 G HN 0.434 nan 8.290 nan 0.000 0.499 168 F N 1.698 121.790 119.950 0.237 0.000 2.797 168 F HA 0.442 4.969 4.527 -0.000 0.000 0.302 168 F C 1.490 177.487 175.800 0.329 0.000 1.130 168 F CA 0.334 58.510 58.000 0.294 0.000 1.387 168 F CB 0.243 39.351 39.000 0.180 0.000 1.107 168 F HN 0.605 nan 8.300 nan 0.000 0.577 169 S N -2.336 113.487 115.700 0.205 0.000 2.611 169 S HA 0.517 4.987 4.470 -0.000 0.000 0.268 169 S C -1.016 173.131 174.600 -0.756 0.000 1.156 169 S CA -1.189 56.779 58.200 -0.386 0.000 0.817 169 S CB 1.112 64.240 63.200 -0.121 0.000 1.122 169 S HN -0.261 nan 8.310 nan 0.000 0.466 170 V N 2.247 121.407 119.914 -1.257 0.000 2.529 170 V HA 0.432 4.552 4.120 -0.000 0.000 0.292 170 V C 0.092 176.017 176.094 -0.282 0.000 1.028 170 V CA 0.914 62.615 62.300 -0.998 0.000 1.074 170 V CB 0.485 31.532 31.823 -1.294 0.000 0.958 170 V HN 0.945 nan 8.190 nan 0.000 0.481 171 D N 2.545 122.871 120.400 -0.123 0.000 3.103 171 D HA 0.265 4.905 4.640 -0.000 0.000 0.337 171 D C 0.930 177.170 176.300 -0.099 0.000 1.356 171 D CA -0.699 53.322 54.000 0.035 0.000 0.951 171 D CB 1.206 42.000 40.800 -0.010 0.000 1.438 171 D HN 0.252 nan 8.370 nan 0.000 0.562 172 K N 0.069 120.391 120.400 -0.130 0.000 2.032 172 K HA -0.207 4.113 4.320 -0.000 0.000 0.218 172 K C 1.835 178.299 176.600 -0.228 0.000 1.054 172 K CA 2.038 58.188 56.287 -0.228 0.000 0.941 172 K CB -0.381 32.024 32.500 -0.158 0.000 0.720 172 K HN 0.364 nan 8.250 nan 0.000 0.449 173 A N 0.987 123.711 122.820 -0.159 0.000 1.986 173 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 173 A C 2.220 179.694 177.584 -0.182 0.000 1.171 173 A CA 2.259 54.209 52.037 -0.146 0.000 0.640 173 A CB -0.938 17.999 19.000 -0.105 0.000 0.811 173 A HN 0.374 nan 8.150 nan 0.000 0.451 174 T N -0.159 114.259 114.554 -0.226 0.000 2.737 174 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 174 T C 1.831 176.251 174.700 -0.467 0.000 1.038 174 T CA 1.382 63.273 62.100 -0.349 0.000 1.144 174 T CB -0.373 68.246 68.868 -0.415 0.000 0.866 174 T HN 0.309 nan 8.240 nan 0.000 0.434 175 L N 1.323 122.275 121.223 -0.450 0.000 2.046 175 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 175 L C 2.461 179.237 176.870 -0.157 0.000 1.077 175 L CA 1.852 56.452 54.840 -0.400 0.000 0.747 175 L CB -1.278 40.316 42.059 -0.775 0.000 0.896 175 L HN 0.201 nan 8.230 nan 0.000 0.432 176 T N 0.441 114.889 114.554 -0.176 0.000 2.746 176 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 176 T C 1.807 176.469 174.700 -0.063 0.000 1.039 176 T CA 1.693 63.755 62.100 -0.064 0.000 1.142 176 T CB -0.299 68.508 68.868 -0.102 0.000 0.866 176 T HN 0.546 nan 8.240 nan 0.000 0.444 177 R N -0.012 120.379 120.500 -0.182 0.000 2.148 177 R HA 0.060 4.400 4.340 -0.000 0.000 0.223 177 R C 1.791 177.768 176.300 -0.537 0.000 1.088 177 R CA 0.987 56.810 56.100 -0.461 0.000 0.985 177 R CB -0.675 29.311 30.300 -0.523 0.000 0.880 177 R HN 0.237 nan 8.270 nan 0.000 0.451 178 F N 0.814 120.568 119.950 -0.328 0.000 2.259 178 F HA -0.022 4.505 4.527 0.000 0.000 0.298 178 F C 2.017 177.858 175.800 0.068 0.000 1.088 178 F CA -0.006 57.938 58.000 -0.094 0.000 1.358 178 F CB -0.675 38.315 39.000 -0.018 0.000 1.040 178 F HN -0.043 nan 8.300 nan 0.000 0.505 179 F N 0.886 120.905 119.950 0.116 0.000 2.102 179 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 179 F C 2.287 178.197 175.800 0.184 0.000 1.105 179 F CA 1.221 59.318 58.000 0.163 0.000 1.239 179 F CB -0.986 38.138 39.000 0.205 0.000 0.991 179 F HN -0.089 nan 8.300 nan 0.000 0.474 180 A N 0.106 122.857 122.820 -0.116 0.000 1.902 180 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 180 A C 2.113 179.716 177.584 0.032 0.000 1.181 180 A CA 1.719 53.620 52.037 -0.227 0.000 0.623 180 A CB -1.401 17.439 19.000 -0.266 0.000 0.818 180 A HN 0.376 nan 8.150 nan 0.000 0.443 181 F N -0.673 119.308 119.950 0.052 0.000 2.146 181 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 181 F C 2.234 178.075 175.800 0.069 0.000 1.096 181 F CA 1.214 59.233 58.000 0.031 0.000 1.275 181 F CB -1.451 37.528 39.000 -0.035 0.000 1.008 181 F HN 0.496 nan 8.300 nan 0.000 0.480 182 H N -0.916 118.272 119.070 0.196 0.000 2.421 182 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 182 H C 2.076 177.494 175.328 0.149 0.000 1.087 182 H CA 1.497 57.623 56.048 0.130 0.000 1.330 182 H CB -0.448 29.390 29.762 0.127 0.000 1.388 182 H HN 0.109 nan 8.280 nan 0.000 0.526 183 F N -0.263 119.662 119.950 -0.041 0.000 2.084 183 F HA -0.077 4.450 4.527 -0.000 0.000 0.296 183 F C 2.247 178.097 175.800 0.082 0.000 1.111 183 F CA 1.169 59.120 58.000 -0.082 0.000 1.224 183 F CB -0.576 38.255 39.000 -0.282 0.000 0.991 183 F HN 0.275 nan 8.300 nan 0.000 0.471 184 I N -0.610 120.220 120.570 0.433 0.000 2.406 184 I HA -0.117 4.053 4.170 -0.000 0.000 0.249 184 I C 2.082 178.366 176.117 0.277 0.000 1.122 184 I CA 0.823 62.360 61.300 0.395 0.000 1.431 184 I CB -0.761 37.362 38.000 0.205 0.000 1.087 184 I HN 0.128 nan 8.210 nan 0.000 0.424 185 L N 1.778 123.082 121.223 0.135 0.000 2.043 185 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 185 L C -0.571 176.283 176.870 -0.026 0.000 1.075 185 L CA 2.392 57.257 54.840 0.041 0.000 0.752 185 L CB -1.952 40.110 42.059 0.004 0.000 0.891 185 L HN 0.161 nan 8.230 nan 0.000 0.432 186 P HA -0.163 nan 4.420 nan 0.000 0.218 186 P C 1.451 178.561 177.300 -0.317 0.000 1.148 186 P CA 1.501 64.425 63.100 -0.293 0.000 0.822 186 P CB -0.112 31.295 31.700 -0.489 0.000 0.784 187 F N -1.581 118.362 119.950 -0.011 0.000 2.367 187 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 187 F C 2.180 177.983 175.800 0.004 0.000 1.094 187 F CA 0.821 58.825 58.000 0.006 0.000 1.409 187 F CB -0.915 38.102 39.000 0.029 0.000 1.064 187 F HN -0.156 nan 8.300 nan 0.000 0.528 188 I N -0.361 120.294 120.570 0.143 0.000 2.353 188 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 188 I C 2.210 178.347 176.117 0.032 0.000 1.119 188 I CA 1.092 62.440 61.300 0.081 0.000 1.417 188 I CB -0.333 37.700 38.000 0.055 0.000 1.078 188 I HN 0.073 nan 8.210 nan 0.000 0.421 189 I N 0.241 120.806 120.570 -0.007 0.000 2.286 189 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 189 I C 2.643 178.751 176.117 -0.016 0.000 1.115 189 I CA 1.504 62.783 61.300 -0.034 0.000 1.392 189 I CB -0.205 37.751 38.000 -0.073 0.000 1.065 189 I HN 0.299 nan 8.210 nan 0.000 0.418 190 M N 0.614 120.207 119.600 -0.012 0.000 2.117 190 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 190 M C 2.392 178.709 176.300 0.029 0.000 1.065 190 M CA 2.150 57.452 55.300 0.003 0.000 1.114 190 M CB -0.094 32.514 32.600 0.012 0.000 1.361 190 M HN 0.255 nan 8.290 nan 0.000 0.408 191 A N 0.661 123.510 122.820 0.048 0.000 1.873 191 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 191 A C 1.968 179.578 177.584 0.043 0.000 1.186 191 A CA 1.717 53.782 52.037 0.047 0.000 0.616 191 A CB -1.039 17.994 19.000 0.054 0.000 0.823 191 A HN 0.616 nan 8.150 nan 0.000 0.442 192 I N -0.126 120.467 120.570 0.037 0.000 2.286 192 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 192 I C 2.886 179.037 176.117 0.058 0.000 1.115 192 I CA 0.997 62.322 61.300 0.042 0.000 1.392 192 I CB -0.315 37.692 38.000 0.011 0.000 1.065 192 I HN 0.367 nan 8.210 nan 0.000 0.418 193 A N 0.613 123.455 122.820 0.037 0.000 1.969 193 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 193 A C 2.343 179.987 177.584 0.100 0.000 1.169 193 A CA 1.380 53.455 52.037 0.063 0.000 0.635 193 A CB -0.484 18.531 19.000 0.024 0.000 0.810 193 A HN 0.346 nan 8.150 nan 0.000 0.445 194 M N -0.813 118.817 119.600 0.051 0.000 2.229 194 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 194 M C 1.952 178.258 176.300 0.011 0.000 1.063 194 M CA 1.009 56.316 55.300 0.012 0.000 1.114 194 M CB -0.265 32.334 32.600 -0.002 0.000 1.387 194 M HN 0.248 nan 8.290 nan 0.000 0.420 195 V N -0.731 119.227 119.914 0.072 0.000 2.453 195 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 195 V C 2.239 178.475 176.094 0.237 0.000 1.048 195 V CA 2.007 64.374 62.300 0.113 0.000 1.049 195 V CB -0.924 31.003 31.823 0.173 0.000 0.672 195 V HN 0.451 nan 8.190 nan 0.000 0.457 196 H N 0.391 119.535 119.070 0.123 0.000 2.319 196 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 196 H C 1.993 177.377 175.328 0.094 0.000 1.097 196 H CA 2.110 58.240 56.048 0.137 0.000 1.285 196 H CB -0.272 29.540 29.762 0.083 0.000 1.368 196 H HN 0.332 nan 8.280 nan 0.000 0.495 197 L N -0.511 120.709 121.223 -0.006 0.000 2.156 197 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 197 L C 2.460 179.079 176.870 -0.419 0.000 1.095 197 L CA 0.551 55.242 54.840 -0.249 0.000 0.770 197 L CB -0.195 41.705 42.059 -0.265 0.000 0.914 197 L HN 0.309 nan 8.230 nan 0.000 0.439 198 L N -1.684 119.375 121.223 -0.274 0.000 2.093 198 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 198 L C 2.405 179.120 176.870 -0.259 0.000 1.085 198 L CA 1.194 55.847 54.840 -0.312 0.000 0.755 198 L CB -0.400 41.485 42.059 -0.290 0.000 0.904 198 L HN 0.157 nan 8.230 nan 0.000 0.435 199 F N -0.408 119.479 119.950 -0.105 0.000 2.206 199 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 199 F C 2.225 177.945 175.800 -0.134 0.000 1.090 199 F CA 1.052 59.006 58.000 -0.075 0.000 1.323 199 F CB -0.361 38.626 39.000 -0.021 0.000 1.028 199 F HN -0.039 nan 8.300 nan 0.000 0.492 200 L N -0.476 120.741 121.223 -0.010 0.000 2.093 200 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 200 L C 2.275 179.124 176.870 -0.036 0.000 1.085 200 L CA 2.005 56.773 54.840 -0.119 0.000 0.755 200 L CB -0.907 41.089 42.059 -0.107 0.000 0.904 200 L HN 0.226 nan 8.230 nan 0.000 0.435 201 H N -1.179 117.815 119.070 -0.127 0.000 2.489 201 H HA -0.082 4.474 4.556 -0.000 0.000 0.293 201 H C 1.587 176.848 175.328 -0.111 0.000 1.066 201 H CA 0.627 56.608 56.048 -0.113 0.000 1.305 201 H CB 0.402 30.104 29.762 -0.099 0.000 1.386 201 H HN 0.392 nan 8.280 nan 0.000 0.551 202 E N 0.036 120.240 120.200 0.007 0.000 2.204 202 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 202 E C 2.237 178.804 176.600 -0.055 0.000 0.989 202 E CA 1.512 57.898 56.400 -0.023 0.000 0.824 202 E CB -0.015 29.678 29.700 -0.012 0.000 0.756 202 E HN 0.641 nan 8.360 nan 0.000 0.477 203 T N -3.505 110.961 114.554 -0.146 0.000 3.018 203 T HA 0.413 4.763 4.350 -0.000 0.000 0.246 203 T C 1.049 175.659 174.700 -0.150 0.000 1.026 203 T CA 0.483 62.466 62.100 -0.194 0.000 1.081 203 T CB 0.713 69.282 68.868 -0.498 0.000 0.970 203 T HN 0.266 nan 8.240 nan 0.000 0.475 204 G N 1.000 109.701 108.800 -0.166 0.000 2.712 204 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.683 204 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.683 204 G C -0.455 174.434 174.900 -0.018 0.000 1.320 204 G CA -0.495 44.569 45.100 -0.059 0.000 0.847 204 G HN 0.605 nan 8.290 nan 0.000 0.553 205 S N -0.038 115.728 115.700 0.110 0.000 2.603 205 S HA 0.498 4.968 4.470 -0.000 0.000 0.268 205 S C 0.807 175.631 174.600 0.373 0.000 1.317 205 S CA 0.028 58.402 58.200 0.289 0.000 1.012 205 S CB 1.315 64.662 63.200 0.246 0.000 0.926 205 S HN 0.962 nan 8.310 nan 0.000 0.539 206 N N 1.075 120.108 118.700 0.555 0.000 2.413 206 N HA 0.379 5.119 4.740 -0.000 0.000 0.266 206 N C -0.582 175.042 175.510 0.190 0.000 1.238 206 N CA -0.512 52.750 53.050 0.354 0.000 0.972 206 N CB 0.463 39.090 38.487 0.234 0.000 1.210 206 N HN 0.835 nan 8.380 nan 0.000 0.547 207 N N -1.954 116.755 118.700 0.015 0.000 2.647 207 N HA 0.498 5.238 4.740 -0.000 0.000 0.266 207 N C -2.618 172.734 175.510 -0.263 0.000 1.373 207 N CA -1.235 51.578 53.050 -0.395 0.000 0.807 207 N CB 1.751 40.044 38.487 -0.323 0.000 1.513 207 N HN 0.156 nan 8.380 nan 0.000 0.505 208 P HA -0.223 nan 4.420 nan 0.000 0.217 208 P C 0.970 178.283 177.300 0.022 0.000 1.151 208 P CA 2.271 65.224 63.100 -0.245 0.000 0.849 208 P CB -0.091 31.497 31.700 -0.187 0.000 0.787 209 T N -5.569 108.964 114.554 -0.034 0.000 3.055 209 T HA 0.162 4.512 4.350 -0.000 0.000 0.265 209 T C 1.719 176.453 174.700 0.056 0.000 1.111 209 T CA 0.859 62.949 62.100 -0.016 0.000 1.118 209 T CB -1.085 67.883 68.868 0.166 0.000 0.909 209 T HN 0.260 nan 8.240 nan 0.000 0.501 210 G N 1.315 110.148 108.800 0.056 0.000 2.184 210 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 210 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 210 G C 0.078 175.012 174.900 0.056 0.000 0.975 210 G CA 0.304 45.432 45.100 0.046 0.000 0.642 210 G HN 0.679 nan 8.290 nan 0.000 0.536 211 I N 1.483 122.110 120.570 0.094 0.000 2.440 211 I HA 0.402 4.572 4.170 -0.000 0.000 0.294 211 I C 1.271 177.423 176.117 0.058 0.000 0.995 211 I CA -0.405 60.950 61.300 0.092 0.000 1.306 211 I CB 1.641 39.717 38.000 0.127 0.000 1.407 211 I HN 0.163 nan 8.210 nan 0.000 0.501 212 S N 3.335 119.068 115.700 0.054 0.000 2.593 212 S HA -0.048 4.422 4.470 -0.000 0.000 0.300 212 S C 1.002 175.626 174.600 0.040 0.000 1.267 212 S CA -0.029 58.202 58.200 0.052 0.000 1.065 212 S CB 0.312 63.542 63.200 0.050 0.000 0.807 212 S HN 0.761 nan 8.310 nan 0.000 0.499 213 S N 2.614 118.334 115.700 0.033 0.000 2.575 213 S HA 0.201 4.671 4.470 -0.000 0.000 0.237 213 S C 0.582 175.192 174.600 0.017 0.000 0.975 213 S CA -0.408 57.800 58.200 0.014 0.000 0.960 213 S CB 0.160 63.354 63.200 -0.010 0.000 0.822 213 S HN 0.715 nan 8.310 nan 0.000 0.472 214 D N 2.496 122.911 120.400 0.026 0.000 2.221 214 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 214 D C 2.040 178.349 176.300 0.017 0.000 0.982 214 D CA 1.363 55.377 54.000 0.023 0.000 0.857 214 D CB -0.219 40.597 40.800 0.027 0.000 0.934 214 D HN 0.572 nan 8.370 nan 0.000 0.475 215 V N -1.871 118.051 119.914 0.015 0.000 3.461 215 V HA 0.053 4.173 4.120 -0.000 0.000 0.267 215 V C 0.287 176.382 176.094 0.003 0.000 1.186 215 V CA 0.658 62.964 62.300 0.010 0.000 1.154 215 V CB -0.027 31.802 31.823 0.010 0.000 0.802 215 V HN -0.145 nan 8.190 nan 0.000 0.474 216 D N 0.523 120.923 120.400 -0.001 0.000 2.846 216 D HA 0.268 4.908 4.640 -0.000 0.000 0.279 216 D C -0.389 175.902 176.300 -0.014 0.000 1.222 216 D CA -0.247 53.745 54.000 -0.013 0.000 0.769 216 D CB 0.434 41.221 40.800 -0.022 0.000 1.299 216 D HN 0.164 nan 8.370 nan 0.000 0.537 217 K N 1.046 121.446 120.400 -0.000 0.000 2.118 217 K HA 0.633 4.953 4.320 -0.000 0.000 0.254 217 K C 0.365 176.977 176.600 0.019 0.000 0.961 217 K CA -0.729 55.569 56.287 0.017 0.000 0.876 217 K CB 1.887 34.406 32.500 0.032 0.000 1.077 217 K HN 0.495 nan 8.250 nan 0.000 0.440 218 I N -1.518 119.081 120.570 0.048 0.000 2.934 218 I HA 0.546 4.716 4.170 -0.000 0.000 0.306 218 I C -2.600 173.622 176.117 0.175 0.000 1.110 218 I CA -2.800 58.536 61.300 0.060 0.000 1.019 218 I CB 2.541 40.470 38.000 -0.119 0.000 1.227 218 I HN 0.256 nan 8.210 nan 0.000 0.434 219 P HA 0.012 nan 4.420 nan 0.000 0.271 219 P C 0.251 177.731 177.300 0.300 0.000 1.216 219 P CA 0.076 63.314 63.100 0.230 0.000 0.776 219 P CB 0.867 32.667 31.700 0.166 0.000 0.881 220 F N 2.529 122.605 119.950 0.209 0.000 2.126 220 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 220 F C 1.314 177.247 175.800 0.222 0.000 1.096 220 F CA 1.534 59.701 58.000 0.279 0.000 1.255 220 F CB -0.438 38.678 39.000 0.193 0.000 0.997 220 F HN 0.410 nan 8.300 nan 0.000 0.479 221 H N 1.176 120.352 119.070 0.177 0.000 2.467 221 H HA 0.281 4.837 4.556 -0.000 0.000 0.326 221 H C -1.845 173.400 175.328 -0.138 0.000 1.094 221 H CA -2.575 53.475 56.048 0.004 0.000 1.253 221 H CB 1.473 31.285 29.762 0.083 0.000 1.439 221 H HN -0.123 nan 8.280 nan 0.000 0.479 222 P HA -0.071 nan 4.420 nan 0.000 0.252 222 P C 0.603 177.508 177.300 -0.658 0.000 1.218 222 P CA 0.492 62.991 63.100 -1.003 0.000 0.807 222 P CB 0.395 31.504 31.700 -0.985 0.000 1.072 223 Y N 0.218 120.251 120.300 -0.445 0.000 2.040 223 Y HA -0.223 4.327 4.550 -0.000 0.000 0.275 223 Y C 2.270 177.707 175.900 -0.772 0.000 1.171 223 Y CA 1.819 59.550 58.100 -0.615 0.000 1.123 223 Y CB -1.839 36.168 38.460 -0.754 0.000 0.963 223 Y HN -0.041 nan 8.280 nan 0.000 0.493 224 Y N -0.929 119.134 120.300 -0.395 0.000 2.500 224 Y HA -0.012 4.538 4.550 -0.000 0.000 0.270 224 Y C 2.489 178.057 175.900 -0.552 0.000 1.134 224 Y CA 0.753 58.493 58.100 -0.599 0.000 1.293 224 Y CB -0.934 36.934 38.460 -0.986 0.000 1.063 224 Y HN 0.226 nan 8.280 nan 0.000 0.534 225 T N -1.900 112.451 114.554 -0.339 0.000 2.777 225 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 225 T C 1.923 176.623 174.700 -0.000 0.000 1.040 225 T CA 1.240 63.352 62.100 0.020 0.000 1.141 225 T CB -0.567 68.458 68.868 0.261 0.000 0.868 225 T HN 0.193 nan 8.240 nan 0.000 0.444 226 I N 1.235 121.754 120.570 -0.085 0.000 2.353 226 I HA 0.067 4.237 4.170 -0.000 0.000 0.248 226 I C 2.360 178.445 176.117 -0.053 0.000 1.119 226 I CA 1.109 62.367 61.300 -0.072 0.000 1.417 226 I CB -0.339 37.589 38.000 -0.121 0.000 1.078 226 I HN 0.116 nan 8.210 nan 0.000 0.421 227 K N 0.107 120.471 120.400 -0.060 0.000 2.097 227 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 227 K C 1.708 178.316 176.600 0.012 0.000 1.050 227 K CA 1.587 57.867 56.287 -0.012 0.000 0.938 227 K CB -0.201 32.326 32.500 0.046 0.000 0.718 227 K HN 0.297 nan 8.250 nan 0.000 0.442 228 D N 0.873 121.298 120.400 0.041 0.000 2.144 228 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 228 D C 1.773 178.087 176.300 0.022 0.000 0.984 228 D CA 0.922 54.958 54.000 0.060 0.000 0.834 228 D CB -0.060 40.827 40.800 0.145 0.000 0.955 228 D HN 0.167 nan 8.370 nan 0.000 0.465 229 I N 0.106 120.687 120.570 0.018 0.000 2.252 229 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 229 I C 2.220 178.327 176.117 -0.016 0.000 1.102 229 I CA 0.379 61.681 61.300 0.004 0.000 1.385 229 I CB -0.055 37.948 38.000 0.006 0.000 1.064 229 I HN 0.026 nan 8.210 nan 0.000 0.414 230 L N 1.178 122.388 121.223 -0.022 0.000 2.046 230 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 230 L C 2.318 179.161 176.870 -0.044 0.000 1.077 230 L CA 2.213 57.035 54.840 -0.031 0.000 0.747 230 L CB -1.258 40.781 42.059 -0.034 0.000 0.896 230 L HN 0.184 nan 8.230 nan 0.000 0.432 231 G N -1.115 107.652 108.800 -0.055 0.000 2.418 231 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 231 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 231 G C 1.624 176.475 174.900 -0.082 0.000 1.158 231 G CA 0.860 45.903 45.100 -0.095 0.000 0.771 231 G HN 0.645 nan 8.290 nan 0.000 0.545 232 A N 0.618 123.404 122.820 -0.056 0.000 1.908 232 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 232 A C 2.449 180.009 177.584 -0.039 0.000 1.181 232 A CA 1.403 53.411 52.037 -0.048 0.000 0.627 232 A CB -0.457 18.524 19.000 -0.031 0.000 0.818 232 A HN 0.365 nan 8.150 nan 0.000 0.445 233 L N -0.849 120.355 121.223 -0.032 0.000 2.046 233 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 233 L C 2.572 179.431 176.870 -0.020 0.000 1.077 233 L CA 1.136 55.962 54.840 -0.023 0.000 0.747 233 L CB -0.480 41.567 42.059 -0.020 0.000 0.896 233 L HN 0.398 nan 8.230 nan 0.000 0.432 234 L N -0.870 120.335 121.223 -0.029 0.000 2.093 234 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 234 L C 2.519 179.382 176.870 -0.012 0.000 1.085 234 L CA 0.641 55.468 54.840 -0.021 0.000 0.755 234 L CB -0.390 41.645 42.059 -0.039 0.000 0.904 234 L HN 0.255 nan 8.230 nan 0.000 0.435 235 L N 0.164 121.371 121.223 -0.026 0.000 2.017 235 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 235 L C 2.311 179.182 176.870 0.002 0.000 1.073 235 L CA 1.755 56.588 54.840 -0.012 0.000 0.745 235 L CB -0.299 41.737 42.059 -0.038 0.000 0.894 235 L HN 0.080 nan 8.230 nan 0.000 0.432 236 I N -0.995 119.569 120.570 -0.010 0.000 2.286 236 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 236 I C 2.324 178.449 176.117 0.013 0.000 1.115 236 I CA 1.011 62.308 61.300 -0.005 0.000 1.392 236 I CB -0.332 37.658 38.000 -0.016 0.000 1.065 236 I HN 0.363 nan 8.210 nan 0.000 0.418 237 L N 1.222 122.456 121.223 0.018 0.000 2.017 237 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 237 L C 2.566 179.470 176.870 0.056 0.000 1.073 237 L CA 2.179 57.042 54.840 0.037 0.000 0.745 237 L CB -0.795 41.284 42.059 0.033 0.000 0.894 237 L HN 0.165 nan 8.230 nan 0.000 0.432 238 A N -0.574 122.277 122.820 0.052 0.000 1.902 238 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 238 A C 2.257 179.888 177.584 0.078 0.000 1.181 238 A CA 1.941 54.019 52.037 0.068 0.000 0.623 238 A CB -1.054 17.986 19.000 0.068 0.000 0.818 238 A HN 0.523 nan 8.150 nan 0.000 0.443 239 L N -1.057 120.206 121.223 0.065 0.000 2.017 239 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 239 L C 2.177 179.089 176.870 0.071 0.000 1.073 239 L CA 2.069 56.952 54.840 0.072 0.000 0.745 239 L CB -0.432 41.657 42.059 0.048 0.000 0.894 239 L HN 0.281 nan 8.230 nan 0.000 0.432 240 M N -1.084 118.545 119.600 0.049 0.000 2.394 240 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 240 M C 2.237 178.556 176.300 0.032 0.000 1.073 240 M CA 1.183 56.499 55.300 0.028 0.000 1.111 240 M CB -1.124 31.477 32.600 0.002 0.000 1.401 240 M HN 0.299 nan 8.290 nan 0.000 0.448 241 L N -0.668 120.616 121.223 0.103 0.000 2.093 241 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 241 L C 2.302 179.286 176.870 0.189 0.000 1.085 241 L CA 0.827 55.797 54.840 0.217 0.000 0.755 241 L CB -0.420 41.765 42.059 0.211 0.000 0.904 241 L HN 0.242 nan 8.230 nan 0.000 0.435 242 L N -1.317 119.985 121.223 0.132 0.000 2.023 242 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 242 L C 2.488 179.424 176.870 0.110 0.000 1.073 242 L CA 0.817 55.733 54.840 0.126 0.000 0.745 242 L CB -0.469 41.667 42.059 0.128 0.000 0.900 242 L HN 0.018 nan 8.230 nan 0.000 0.435 243 V N 0.209 120.186 119.914 0.105 0.000 2.343 243 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 243 V C 2.217 178.352 176.094 0.068 0.000 1.051 243 V CA 1.691 64.066 62.300 0.125 0.000 1.036 243 V CB -0.348 31.559 31.823 0.139 0.000 0.654 243 V HN 0.361 nan 8.190 nan 0.000 0.451 244 L N -2.270 118.914 121.223 -0.065 0.000 2.375 244 L HA 0.116 4.456 4.340 -0.000 0.000 0.215 244 L C 1.879 178.495 176.870 -0.422 0.000 1.108 244 L CA 0.883 55.556 54.840 -0.277 0.000 0.830 244 L CB -0.165 41.580 42.059 -0.523 0.000 0.959 244 L HN 0.279 nan 8.230 nan 0.000 0.457 245 F N -0.483 119.491 119.950 0.040 0.000 2.752 245 F HA 0.397 4.924 4.527 -0.000 0.000 0.310 245 F C 0.997 176.795 175.800 -0.004 0.000 1.097 245 F CA -0.262 57.744 58.000 0.011 0.000 1.238 245 F CB 0.381 39.390 39.000 0.015 0.000 1.061 245 F HN -0.132 nan 8.300 nan 0.000 0.591 246 A N 0.580 123.493 122.820 0.155 0.000 3.455 246 A HA 0.371 4.691 4.320 -0.000 0.000 0.225 246 A C -1.908 175.713 177.584 0.061 0.000 1.052 246 A CA -0.510 51.581 52.037 0.089 0.000 1.005 246 A CB -0.353 18.706 19.000 0.097 0.000 1.318 246 A HN -0.061 nan 8.150 nan 0.000 0.639 247 P HA -0.140 nan 4.420 nan 0.000 0.221 247 P C 0.124 177.463 177.300 0.065 0.000 1.145 247 P CA 1.311 64.399 63.100 -0.021 0.000 0.795 247 P CB 0.337 31.844 31.700 -0.321 0.000 0.775 248 D N -1.309 119.124 120.400 0.055 0.000 2.369 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.211 248 D C 1.827 178.214 176.300 0.146 0.000 1.077 248 D CA -0.203 53.893 54.000 0.160 0.000 0.842 248 D CB -0.235 40.652 40.800 0.144 0.000 0.947 248 D HN 0.015 nan 8.370 nan 0.000 0.509 249 L N 0.666 121.951 121.223 0.103 0.000 2.021 249 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 249 L C 1.672 178.593 176.870 0.084 0.000 1.074 249 L CA 1.793 56.679 54.840 0.077 0.000 0.760 249 L CB -0.333 41.759 42.059 0.055 0.000 0.889 249 L HN 0.018 nan 8.230 nan 0.000 0.433 250 L N -1.035 120.259 121.223 0.118 0.000 2.611 250 L HA 0.276 4.616 4.340 -0.000 0.000 0.229 250 L C 1.099 178.103 176.870 0.224 0.000 1.137 250 L CA -0.041 54.885 54.840 0.144 0.000 0.901 250 L CB -0.721 41.442 42.059 0.173 0.000 1.098 250 L HN 0.331 nan 8.230 nan 0.000 0.456 251 G N -1.245 107.681 108.800 0.210 0.000 2.613 251 G HA2 0.247 4.207 3.960 -0.000 0.000 0.303 251 G HA3 0.247 4.207 3.960 -0.000 0.000 0.303 251 G C -1.462 173.563 174.900 0.208 0.000 1.312 251 G CA -0.251 44.982 45.100 0.221 0.000 1.036 251 G HN -0.089 nan 8.290 nan 0.000 0.513 252 D N -0.791 119.750 120.400 0.235 0.000 2.308 252 D HA 0.373 5.013 4.640 -0.000 0.000 0.242 252 D C -1.556 174.916 176.300 0.286 0.000 1.059 252 D CA -1.760 52.376 54.000 0.228 0.000 0.830 252 D CB 2.393 43.328 40.800 0.225 0.000 1.161 252 D HN -0.095 nan 8.370 nan 0.000 0.494 253 P HA -0.069 nan 4.420 nan 0.000 0.218 253 P C 0.652 178.153 177.300 0.334 0.000 1.148 253 P CA 0.644 63.951 63.100 0.345 0.000 0.822 253 P CB 0.431 32.256 31.700 0.208 0.000 0.784 254 D N -1.294 119.248 120.400 0.237 0.000 2.263 254 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 254 D C 1.394 177.806 176.300 0.186 0.000 0.971 254 D CA 0.914 55.032 54.000 0.198 0.000 0.867 254 D CB -0.626 40.273 40.800 0.166 0.000 0.929 254 D HN 0.111 nan 8.370 nan 0.000 0.492 255 N N -0.687 118.110 118.700 0.162 0.000 2.461 255 N HA -0.070 4.669 4.740 -0.000 0.000 0.188 255 N C 0.435 175.992 175.510 0.079 0.000 1.134 255 N CA 0.137 53.221 53.050 0.058 0.000 0.878 255 N CB -0.085 38.362 38.487 -0.066 0.000 0.972 255 N HN 0.168 nan 8.380 nan 0.000 0.456 256 Y N -0.746 119.706 120.300 0.253 0.000 2.490 256 Y HA 0.232 4.782 4.550 -0.000 0.000 0.281 256 Y C 0.265 176.409 175.900 0.407 0.000 1.174 256 Y CA 0.297 58.595 58.100 0.331 0.000 1.295 256 Y CB 0.351 38.945 38.460 0.224 0.000 1.062 256 Y HN -0.171 nan 8.280 nan 0.000 0.522 257 T N 2.084 116.842 114.554 0.340 0.000 2.779 257 T HA 0.311 4.661 4.350 -0.000 0.000 0.280 257 T C -2.601 172.035 174.700 -0.106 0.000 0.987 257 T CA -1.785 60.372 62.100 0.096 0.000 0.966 257 T CB 1.650 70.561 68.868 0.073 0.000 0.933 257 T HN -0.224 nan 8.240 nan 0.000 0.442 258 P HA 0.187 nan 4.420 nan 0.000 0.268 258 P C -0.603 176.501 177.300 -0.328 0.000 1.208 258 P CA -0.318 62.406 63.100 -0.626 0.000 0.777 258 P CB 0.345 31.628 31.700 -0.695 0.000 0.875 259 A N 2.602 125.201 122.820 -0.367 0.000 2.540 259 A HA 0.134 4.454 4.320 -0.000 0.000 0.239 259 A C 0.456 177.719 177.584 -0.534 0.000 1.061 259 A CA 0.518 52.212 52.037 -0.573 0.000 0.758 259 A CB -0.673 17.655 19.000 -1.120 0.000 0.991 259 A HN 0.567 nan 8.150 nan 0.000 0.502 260 N N 3.110 121.506 118.700 -0.507 0.000 2.576 260 N HA 0.304 5.044 4.740 -0.000 0.000 0.269 260 N C -2.160 173.086 175.510 -0.439 0.000 1.058 260 N CA -2.057 50.778 53.050 -0.358 0.000 0.860 260 N CB 1.886 40.292 38.487 -0.135 0.000 1.249 260 N HN 0.273 nan 8.380 nan 0.000 0.525 261 P HA -0.036 nan 4.420 nan 0.000 0.231 261 P C 0.702 178.013 177.300 0.019 0.000 1.158 261 P CA 0.688 63.386 63.100 -0.669 0.000 0.763 261 P CB 0.565 31.885 31.700 -0.632 0.000 0.805 262 L N -1.568 119.670 121.223 0.024 0.000 2.640 262 L HA 0.279 4.619 4.340 -0.000 0.000 0.230 262 L C 0.923 177.838 176.870 0.075 0.000 1.123 262 L CA 0.022 54.905 54.840 0.071 0.000 0.900 262 L CB -0.130 41.932 42.059 0.005 0.000 1.146 262 L HN 0.021 nan 8.230 nan 0.000 0.484 263 N N -0.198 118.583 118.700 0.135 0.000 2.478 263 N HA 0.174 4.914 4.740 -0.000 0.000 0.291 263 N C -1.204 174.271 175.510 -0.058 0.000 1.090 263 N CA -0.180 52.876 53.050 0.010 0.000 0.911 263 N CB 1.975 40.458 38.487 -0.007 0.000 1.546 263 N HN -0.243 nan 8.380 nan 0.000 0.500 264 T N 3.775 118.063 114.554 -0.445 0.000 2.744 264 T HA 0.351 4.701 4.350 -0.000 0.000 0.291 264 T C -2.482 172.002 174.700 -0.360 0.000 0.957 264 T CA -0.885 60.721 62.100 -0.823 0.000 1.002 264 T CB 1.299 69.498 68.868 -1.113 0.000 0.919 264 T HN 0.398 nan 8.240 nan 0.000 0.468 265 P HA 0.050 nan 4.420 nan 0.000 0.264 265 P C -1.493 175.718 177.300 -0.148 0.000 1.183 265 P CA -1.080 61.965 63.100 -0.092 0.000 0.763 265 P CB 0.249 31.957 31.700 0.013 0.000 0.807 266 P HA -0.149 nan 4.420 nan 0.000 0.222 266 P C 0.187 177.192 177.300 -0.492 0.000 1.147 266 P CA 1.703 64.596 63.100 -0.346 0.000 0.790 266 P CB 0.062 31.518 31.700 -0.406 0.000 0.780 267 H N -1.324 117.750 119.070 0.008 0.000 2.510 267 H HA 0.322 4.878 4.556 -0.000 0.000 0.266 267 H C 0.789 176.136 175.328 0.032 0.000 1.146 267 H CA -0.766 55.297 56.048 0.026 0.000 0.993 267 H CB -0.215 29.568 29.762 0.035 0.000 1.727 267 H HN 0.077 nan 8.280 nan 0.000 0.590 268 I N 3.097 123.707 120.570 0.068 0.000 2.919 268 I HA -0.112 4.058 4.170 -0.000 0.000 0.303 268 I C -0.050 176.093 176.117 0.043 0.000 1.221 268 I CA 0.772 62.108 61.300 0.060 0.000 1.444 268 I CB 0.008 38.019 38.000 0.018 0.000 1.331 268 I HN 0.374 nan 8.210 nan 0.000 0.572 269 K N 6.533 126.929 120.400 -0.006 0.000 2.551 269 K HA 0.655 4.975 4.320 -0.000 0.000 0.269 269 K C -3.056 173.428 176.600 -0.194 0.000 0.949 269 K CA -1.602 54.583 56.287 -0.170 0.000 0.849 269 K CB 1.429 33.885 32.500 -0.074 0.000 1.411 269 K HN 0.192 nan 8.250 nan 0.000 0.432 270 P HA 0.120 nan 4.420 nan 0.000 0.273 270 P C -1.005 176.143 177.300 -0.253 0.000 1.250 270 P CA -0.389 62.557 63.100 -0.256 0.000 0.793 270 P CB 0.343 31.844 31.700 -0.330 0.000 1.011 271 E N 0.541 120.490 120.200 -0.419 0.000 2.437 271 E HA -0.074 4.276 4.350 -0.000 0.000 0.263 271 E C 1.168 177.297 176.600 -0.785 0.000 1.030 271 E CA 0.038 55.940 56.400 -0.830 0.000 0.934 271 E CB -0.079 28.655 29.700 -1.610 0.000 0.943 271 E HN 0.563 nan 8.360 nan 0.000 0.444 272 W N 3.590 124.533 121.300 -0.595 0.000 2.308 272 W HA -0.333 4.327 4.660 -0.000 0.000 0.301 272 W C 0.936 177.325 176.519 -0.217 0.000 1.220 272 W CA 1.285 58.447 57.345 -0.305 0.000 1.240 272 W CB -0.922 28.454 29.460 -0.139 0.000 1.142 272 W HN 0.733 nan 8.180 nan 0.000 0.521 273 Y N -2.311 117.231 120.300 -1.264 0.000 2.632 273 Y HA 0.120 4.670 4.550 -0.000 0.000 0.301 273 Y C 1.358 177.067 175.900 -0.319 0.000 1.172 273 Y CA -0.001 57.450 58.100 -1.081 0.000 1.328 273 Y CB -1.726 35.549 38.460 -1.974 0.000 1.016 273 Y HN -0.199 nan 8.280 nan 0.000 0.529 274 F N -0.491 119.291 119.950 -0.280 0.000 2.682 274 F HA 0.290 4.817 4.527 -0.000 0.000 0.308 274 F C 1.592 177.288 175.800 -0.174 0.000 1.093 274 F CA -1.137 56.744 58.000 -0.197 0.000 1.244 274 F CB -0.437 38.394 39.000 -0.281 0.000 1.052 274 F HN 0.101 nan 8.300 nan 0.000 0.573 275 L N -0.248 121.051 121.223 0.127 0.000 2.042 275 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 275 L C 2.664 179.624 176.870 0.149 0.000 1.076 275 L CA 1.734 56.661 54.840 0.146 0.000 0.749 275 L CB -0.861 41.305 42.059 0.178 0.000 0.893 275 L HN 0.224 nan 8.230 nan 0.000 0.432 276 F N 0.104 120.089 119.950 0.057 0.000 2.134 276 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 276 F C 2.397 178.150 175.800 -0.078 0.000 1.097 276 F CA 0.899 58.875 58.000 -0.039 0.000 1.264 276 F CB -1.093 37.832 39.000 -0.126 0.000 1.001 276 F HN -0.075 nan 8.300 nan 0.000 0.479 277 A N -0.312 121.712 122.820 -1.327 0.000 1.968 277 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 277 A C 2.174 179.545 177.584 -0.354 0.000 1.169 277 A CA 1.278 52.733 52.037 -0.970 0.000 0.638 277 A CB -1.600 16.791 19.000 -1.015 0.000 0.812 277 A HN 0.646 nan 8.150 nan 0.000 0.446 278 Y N 0.711 120.805 120.300 -0.343 0.000 2.200 278 Y HA -0.027 4.523 4.550 -0.000 0.000 0.290 278 Y C 2.536 178.350 175.900 -0.143 0.000 1.137 278 Y CA 1.044 59.028 58.100 -0.193 0.000 1.163 278 Y CB -0.533 37.853 38.460 -0.124 0.000 0.988 278 Y HN 0.286 nan 8.280 nan 0.000 0.518 279 A N 0.539 123.286 122.820 -0.122 0.000 1.902 279 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 279 A C 2.328 179.807 177.584 -0.175 0.000 1.181 279 A CA 1.867 53.788 52.037 -0.192 0.000 0.623 279 A CB -1.081 17.871 19.000 -0.080 0.000 0.818 279 A HN 0.568 nan 8.150 nan 0.000 0.443 280 I N -0.698 119.785 120.570 -0.145 0.000 2.179 280 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 280 I C 2.535 178.610 176.117 -0.070 0.000 1.088 280 I CA 1.519 62.772 61.300 -0.078 0.000 1.357 280 I CB -0.291 37.662 38.000 -0.078 0.000 1.051 280 I HN 0.440 nan 8.210 nan 0.000 0.409 281 L N 0.688 121.840 121.223 -0.118 0.000 2.046 281 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 281 L C 2.744 179.527 176.870 -0.146 0.000 1.077 281 L CA 1.538 56.313 54.840 -0.107 0.000 0.747 281 L CB -0.302 41.692 42.059 -0.107 0.000 0.896 281 L HN 0.107 nan 8.230 nan 0.000 0.432 282 R N -0.865 119.482 120.500 -0.256 0.000 2.189 282 R HA -0.073 4.267 4.340 -0.000 0.000 0.223 282 R C 2.139 178.342 176.300 -0.162 0.000 1.092 282 R CA 1.144 57.080 56.100 -0.273 0.000 0.989 282 R CB -0.143 29.874 30.300 -0.472 0.000 0.876 282 R HN 0.381 nan 8.270 nan 0.000 0.457 283 S N 0.404 116.032 115.700 -0.119 0.000 2.515 283 S HA 0.078 4.548 4.470 -0.000 0.000 0.231 283 S C 0.726 175.305 174.600 -0.036 0.000 0.987 283 S CA 0.530 58.692 58.200 -0.062 0.000 0.936 283 S CB 0.147 63.331 63.200 -0.026 0.000 0.766 283 S HN 0.157 nan 8.310 nan 0.000 0.528 284 I N 3.174 123.718 120.570 -0.042 0.000 2.354 284 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 284 I C -2.080 174.014 176.117 -0.038 0.000 1.007 284 I CA -2.131 59.151 61.300 -0.030 0.000 1.167 284 I CB 1.739 39.724 38.000 -0.024 0.000 1.320 284 I HN -0.129 nan 8.210 nan 0.000 0.458 285 P HA 0.029 nan 4.420 nan 0.000 0.246 285 P C -0.738 176.546 177.300 -0.026 0.000 1.686 285 P CA 0.290 63.373 63.100 -0.029 0.000 0.867 285 P CB -0.057 31.630 31.700 -0.022 0.000 1.733 286 N N 0.804 119.486 118.700 -0.030 0.000 2.369 286 N HA 0.080 4.820 4.740 -0.000 0.000 0.287 286 N C 0.548 176.038 175.510 -0.033 0.000 1.067 286 N CA -0.377 52.655 53.050 -0.030 0.000 0.888 286 N CB 2.379 40.846 38.487 -0.033 0.000 1.616 286 N HN -0.197 nan 8.380 nan 0.000 0.482 287 K N 2.477 122.858 120.400 -0.031 0.000 1.973 287 K HA -0.119 4.201 4.320 -0.000 0.000 0.212 287 K C 1.813 178.390 176.600 -0.040 0.000 1.047 287 K CA 1.291 57.559 56.287 -0.031 0.000 0.937 287 K CB -0.151 32.334 32.500 -0.024 0.000 0.721 287 K HN 0.461 nan 8.250 nan 0.000 0.440 288 L N 1.037 122.232 121.223 -0.046 0.000 2.083 288 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 288 L C 2.139 178.974 176.870 -0.057 0.000 1.083 288 L CA 2.305 57.110 54.840 -0.057 0.000 0.752 288 L CB -0.987 41.031 42.059 -0.068 0.000 0.899 288 L HN 0.384 nan 8.230 nan 0.000 0.433 289 G N -1.123 107.645 108.800 -0.054 0.000 2.418 289 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 289 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 289 G C 1.501 176.374 174.900 -0.046 0.000 1.158 289 G CA 0.567 45.633 45.100 -0.057 0.000 0.771 289 G HN 0.587 nan 8.290 nan 0.000 0.545 290 G N 0.267 109.043 108.800 -0.040 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 1.751 176.633 174.900 -0.029 0.000 1.162 290 G CA 1.126 46.205 45.100 -0.034 0.000 0.777 290 G HN 0.313 nan 8.290 nan 0.000 0.539 291 V N 0.836 120.728 119.914 -0.036 0.000 2.427 291 V HA -0.067 4.053 4.120 -0.000 0.000 0.248 291 V C 2.864 178.946 176.094 -0.020 0.000 1.051 291 V CA 1.161 63.440 62.300 -0.035 0.000 1.048 291 V CB -0.313 31.484 31.823 -0.044 0.000 0.666 291 V HN 0.321 nan 8.190 nan 0.000 0.456 292 L N -0.047 121.159 121.223 -0.029 0.000 2.056 292 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 292 L C 2.730 179.618 176.870 0.030 0.000 1.078 292 L CA 1.468 56.291 54.840 -0.028 0.000 0.749 292 L CB -0.739 41.271 42.059 -0.082 0.000 0.901 292 L HN 0.359 nan 8.230 nan 0.000 0.433 293 A N 0.039 122.875 122.820 0.027 0.000 1.902 293 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 293 A C 2.188 179.912 177.584 0.233 0.000 1.181 293 A CA 1.600 53.705 52.037 0.113 0.000 0.623 293 A CB -0.636 18.414 19.000 0.082 0.000 0.818 293 A HN 0.330 nan 8.150 nan 0.000 0.443 294 L N -0.095 121.188 121.223 0.099 0.000 1.994 294 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 294 L C 2.651 179.572 176.870 0.084 0.000 1.071 294 L CA 2.445 57.309 54.840 0.040 0.000 0.745 294 L CB -0.901 41.132 42.059 -0.044 0.000 0.892 294 L HN 0.325 nan 8.230 nan 0.000 0.431 295 A N -1.039 121.836 122.820 0.092 0.000 1.908 295 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 295 A C 2.263 179.997 177.584 0.250 0.000 1.181 295 A CA 1.913 54.019 52.037 0.116 0.000 0.627 295 A CB -1.223 17.823 19.000 0.078 0.000 0.818 295 A HN 0.543 nan 8.150 nan 0.000 0.445 296 F N 1.910 121.933 119.950 0.121 0.000 2.293 296 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 296 F C 2.732 178.776 175.800 0.406 0.000 1.086 296 F CA 1.220 59.346 58.000 0.210 0.000 1.375 296 F CB -0.520 38.553 39.000 0.121 0.000 1.045 296 F HN 0.349 nan 8.300 nan 0.000 0.516 297 S N -0.115 115.855 115.700 0.451 0.000 2.419 297 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 297 S C 1.848 176.585 174.600 0.229 0.000 1.019 297 S CA 1.473 59.864 58.200 0.318 0.000 0.982 297 S CB -0.600 62.666 63.200 0.110 0.000 0.789 297 S HN 0.276 nan 8.310 nan 0.000 0.490 298 I N 1.003 121.684 120.570 0.184 0.000 2.947 298 I HA 0.250 4.420 4.170 -0.000 0.000 0.263 298 I C 2.291 178.479 176.117 0.118 0.000 1.130 298 I CA 0.281 61.677 61.300 0.160 0.000 1.448 298 I CB -1.498 36.584 38.000 0.137 0.000 1.222 298 I HN 0.281 nan 8.210 nan 0.000 0.453 299 L N 0.838 122.147 121.223 0.142 0.000 2.353 299 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 299 L C 2.491 179.436 176.870 0.124 0.000 1.133 299 L CA 0.942 55.875 54.840 0.155 0.000 0.798 299 L CB -0.300 41.896 42.059 0.229 0.000 0.922 299 L HN 0.193 nan 8.230 nan 0.000 0.445 300 I N -0.070 120.476 120.570 -0.040 0.000 2.700 300 I HA -0.290 3.880 4.170 -0.000 0.000 0.261 300 I C 2.200 178.298 176.117 -0.031 0.000 1.219 300 I CA 0.903 62.070 61.300 -0.223 0.000 1.463 300 I CB 0.149 37.789 38.000 -0.600 0.000 1.092 300 I HN 0.258 nan 8.210 nan 0.000 0.452 301 L N 0.529 121.790 121.223 0.063 0.000 2.083 301 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 301 L C 2.647 179.725 176.870 0.346 0.000 1.083 301 L CA 1.261 56.223 54.840 0.203 0.000 0.752 301 L CB -0.720 41.427 42.059 0.147 0.000 0.899 301 L HN 0.305 nan 8.230 nan 0.000 0.433 302 A N -0.616 122.342 122.820 0.230 0.000 2.168 302 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 302 A C 2.140 179.826 177.584 0.170 0.000 1.152 302 A CA 0.903 53.089 52.037 0.247 0.000 0.716 302 A CB -0.311 18.785 19.000 0.161 0.000 0.794 302 A HN 0.398 nan 8.150 nan 0.000 0.465 303 L N -0.513 120.776 121.223 0.110 0.000 2.416 303 L HA 0.013 4.353 4.340 -0.000 0.000 0.216 303 L C 1.943 178.778 176.870 -0.060 0.000 1.098 303 L CA -0.042 54.828 54.840 0.051 0.000 0.840 303 L CB -0.267 41.846 42.059 0.089 0.000 0.981 303 L HN 0.252 nan 8.230 nan 0.000 0.462 304 I N 1.087 121.573 120.570 -0.140 0.000 2.143 304 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 304 I C -0.066 175.742 176.117 -0.515 0.000 1.068 304 I CA 2.136 63.197 61.300 -0.399 0.000 1.326 304 I CB -2.361 35.269 38.000 -0.616 0.000 1.028 304 I HN 0.181 nan 8.210 nan 0.000 0.412 305 P HA -0.133 nan 4.420 nan 0.000 0.216 305 P C 2.166 179.422 177.300 -0.073 0.000 1.150 305 P CA 1.270 64.236 63.100 -0.223 0.000 0.837 305 P CB -0.021 31.611 31.700 -0.113 0.000 0.786 306 L N -1.874 119.313 121.223 -0.060 0.000 2.395 306 L HA -0.042 4.298 4.340 -0.000 0.000 0.218 306 L C 1.874 178.733 176.870 -0.018 0.000 1.130 306 L CA 0.786 55.616 54.840 -0.017 0.000 0.826 306 L CB -0.526 41.533 42.059 0.001 0.000 0.941 306 L HN -0.012 nan 8.230 nan 0.000 0.451 307 L N -1.669 119.521 121.223 -0.056 0.000 2.592 307 L HA 0.044 4.384 4.340 -0.000 0.000 0.227 307 L C 0.614 177.450 176.870 -0.056 0.000 1.127 307 L CA -0.254 54.549 54.840 -0.062 0.000 0.884 307 L CB -0.410 41.590 42.059 -0.098 0.000 1.065 307 L HN 0.148 nan 8.230 nan 0.000 0.457 308 H N 0.462 119.472 119.070 -0.101 0.000 3.017 308 H HA 0.018 4.574 4.556 -0.000 0.000 0.276 308 H C 1.305 176.600 175.328 -0.054 0.000 1.062 308 H CA 0.437 56.453 56.048 -0.053 0.000 1.486 308 H CB 0.789 30.571 29.762 0.034 0.000 1.507 308 H HN 0.130 nan 8.280 nan 0.000 0.508 309 T N 0.120 114.500 114.554 -0.290 0.000 3.023 309 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 309 T C 1.106 175.675 174.700 -0.218 0.000 1.050 309 T CA 0.042 62.035 62.100 -0.179 0.000 1.088 309 T CB 0.003 68.789 68.868 -0.136 0.000 0.946 309 T HN 0.442 nan 8.240 nan 0.000 0.480 310 S N 1.099 116.550 115.700 -0.416 0.000 2.563 310 S HA 0.141 4.611 4.470 -0.000 0.000 0.284 310 S C 1.137 175.663 174.600 -0.124 0.000 1.331 310 S CA -0.517 57.528 58.200 -0.257 0.000 1.047 310 S CB 0.432 63.461 63.200 -0.285 0.000 0.859 310 S HN 0.232 nan 8.310 nan 0.000 0.514 311 K N 2.263 122.537 120.400 -0.210 0.000 2.459 311 K HA 0.139 4.459 4.320 -0.000 0.000 0.193 311 K C 0.246 176.712 176.600 -0.223 0.000 1.030 311 K CA 0.628 56.658 56.287 -0.429 0.000 1.026 311 K CB -0.020 31.738 32.500 -1.236 0.000 0.809 311 K HN 0.656 nan 8.250 nan 0.000 0.504 312 Q N 0.003 119.807 119.800 0.007 0.000 2.309 312 Q HA 0.308 4.648 4.340 -0.000 0.000 0.264 312 Q C 0.803 176.879 176.000 0.126 0.000 1.008 312 Q CA -0.397 55.471 55.803 0.109 0.000 0.853 312 Q CB 2.495 31.369 28.738 0.226 0.000 1.314 312 Q HN -0.061 nan 8.270 nan 0.000 0.448 313 R N 0.892 121.416 120.500 0.040 0.000 2.062 313 R HA 0.000 4.340 4.340 -0.000 0.000 0.229 313 R C 0.791 177.039 176.300 -0.087 0.000 1.128 313 R CA 0.954 57.003 56.100 -0.085 0.000 0.960 313 R CB 0.173 30.368 30.300 -0.176 0.000 0.855 313 R HN 0.525 nan 8.270 nan 0.000 0.432 314 S N -0.864 114.797 115.700 -0.064 0.000 2.672 314 S HA 0.195 4.665 4.470 -0.000 0.000 0.276 314 S C 0.823 175.262 174.600 -0.269 0.000 1.207 314 S CA -0.677 57.437 58.200 -0.144 0.000 1.002 314 S CB 1.260 64.447 63.200 -0.022 0.000 0.998 314 S HN 0.295 nan 8.310 nan 0.000 0.542 315 M N 3.078 122.325 119.600 -0.590 0.000 2.561 315 M HA 0.094 4.574 4.480 -0.000 0.000 0.238 315 M C 1.810 177.764 176.300 -0.577 0.000 1.131 315 M CA 0.119 54.990 55.300 -0.714 0.000 1.046 315 M CB -0.196 31.628 32.600 -1.294 0.000 1.532 315 M HN 0.817 nan 8.290 nan 0.000 0.497 316 M N 0.438 119.753 119.600 -0.476 0.000 2.106 316 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 316 M C 0.329 176.425 176.300 -0.341 0.000 1.068 316 M CA 2.085 57.160 55.300 -0.376 0.000 1.100 316 M CB 0.061 32.305 32.600 -0.594 0.000 1.351 316 M HN 0.183 nan 8.290 nan 0.000 0.404 317 F N 0.238 120.196 119.950 0.013 0.000 2.639 317 F HA 0.329 4.856 4.527 -0.000 0.000 0.300 317 F C -0.054 175.750 175.800 0.006 0.000 1.109 317 F CA -0.131 57.885 58.000 0.027 0.000 1.335 317 F CB 0.011 39.038 39.000 0.046 0.000 1.014 317 F HN -0.025 nan 8.300 nan 0.000 0.537 318 R N 0.325 120.866 120.500 0.068 0.000 2.402 318 R HA 0.265 4.605 4.340 -0.000 0.000 0.290 318 R C -2.155 174.146 176.300 0.001 0.000 1.321 318 R CA -1.431 54.684 56.100 0.026 0.000 1.283 318 R CB 0.783 31.060 30.300 -0.038 0.000 1.111 318 R HN -0.067 nan 8.270 nan 0.000 0.578 319 P HA -0.205 nan 4.420 nan 0.000 0.216 319 P C 0.956 178.291 177.300 0.057 0.000 1.153 319 P CA 1.229 64.369 63.100 0.067 0.000 0.858 319 P CB 0.273 32.017 31.700 0.073 0.000 0.789 320 L N -1.284 119.961 121.223 0.036 0.000 2.027 320 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 320 L C 2.367 179.245 176.870 0.014 0.000 1.074 320 L CA 1.655 56.512 54.840 0.030 0.000 0.745 320 L CB -1.371 40.698 42.059 0.017 0.000 0.898 320 L HN -0.005 nan 8.230 nan 0.000 0.433 321 S N -0.468 115.216 115.700 -0.027 0.000 2.383 321 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 321 S C 1.965 176.533 174.600 -0.053 0.000 1.030 321 S CA 1.267 59.424 58.200 -0.070 0.000 1.002 321 S CB -0.207 62.906 63.200 -0.145 0.000 0.829 321 S HN 0.428 nan 8.310 nan 0.000 0.467 322 Q N -0.051 119.727 119.800 -0.036 0.000 2.061 322 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 322 Q C 2.532 178.687 176.000 0.259 0.000 0.984 322 Q CA 1.664 57.514 55.803 0.079 0.000 0.846 322 Q CB -0.448 28.402 28.738 0.187 0.000 0.902 322 Q HN 0.554 nan 8.270 nan 0.000 0.421 323 C N 0.450 119.881 119.300 0.218 0.000 2.413 323 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 323 C C 2.577 177.674 174.990 0.177 0.000 1.248 323 C CA 0.618 59.776 59.018 0.233 0.000 1.742 323 C CB -1.046 26.778 27.740 0.141 0.000 2.017 323 C HN 0.479 nan 8.230 nan 0.000 0.481 324 L N -0.495 120.785 121.223 0.094 0.000 2.093 324 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 324 L C 2.411 179.281 176.870 -0.000 0.000 1.085 324 L CA 1.415 56.275 54.840 0.034 0.000 0.755 324 L CB -0.714 41.342 42.059 -0.005 0.000 0.904 324 L HN 0.325 nan 8.230 nan 0.000 0.435 325 F N 0.028 119.881 119.950 -0.161 0.000 2.102 325 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 325 F C 2.013 177.621 175.800 -0.320 0.000 1.105 325 F CA 1.566 59.378 58.000 -0.314 0.000 1.239 325 F CB -0.410 38.304 39.000 -0.477 0.000 0.991 325 F HN -0.031 nan 8.300 nan 0.000 0.474 326 W N 0.053 121.428 121.300 0.124 0.000 2.465 326 W HA 0.006 4.666 4.660 -0.000 0.000 0.268 326 W C 2.484 178.959 176.519 -0.074 0.000 1.242 326 W CA 0.912 58.264 57.345 0.011 0.000 1.248 326 W CB -0.613 28.921 29.460 0.122 0.000 1.118 326 W HN 0.102 nan 8.180 nan 0.000 0.587 327 A N -0.067 122.818 122.820 0.108 0.000 1.968 327 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 327 A C 1.861 179.423 177.584 -0.036 0.000 1.169 327 A CA 1.270 53.337 52.037 0.051 0.000 0.638 327 A CB -0.748 18.276 19.000 0.041 0.000 0.812 327 A HN 0.272 nan 8.150 nan 0.000 0.446 328 L N -0.250 120.879 121.223 -0.158 0.000 2.093 328 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 328 L C 2.276 179.008 176.870 -0.231 0.000 1.085 328 L CA 1.606 56.313 54.840 -0.223 0.000 0.755 328 L CB -0.320 41.518 42.059 -0.368 0.000 0.904 328 L HN 0.134 nan 8.230 nan 0.000 0.435 329 V N -0.085 119.645 119.914 -0.306 0.000 2.323 329 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 329 V C 2.771 178.844 176.094 -0.036 0.000 1.041 329 V CA 1.468 63.645 62.300 -0.204 0.000 1.025 329 V CB -1.239 30.507 31.823 -0.127 0.000 0.656 329 V HN 0.563 nan 8.190 nan 0.000 0.451 330 A N -0.014 122.824 122.820 0.030 0.000 1.972 330 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 330 A C 2.005 179.616 177.584 0.045 0.000 1.169 330 A CA 2.215 54.285 52.037 0.054 0.000 0.635 330 A CB -0.637 18.405 19.000 0.070 0.000 0.810 330 A HN 0.600 nan 8.150 nan 0.000 0.446 331 D N -0.550 119.865 120.400 0.026 0.000 2.183 331 D HA -0.041 4.599 4.640 -0.000 0.000 0.203 331 D C 1.762 178.088 176.300 0.043 0.000 0.969 331 D CA 0.789 54.819 54.000 0.050 0.000 0.842 331 D CB -0.128 40.702 40.800 0.050 0.000 0.957 331 D HN 0.418 nan 8.370 nan 0.000 0.484 332 L N -0.136 121.080 121.223 -0.013 0.000 2.156 332 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 332 L C 2.141 179.015 176.870 0.008 0.000 1.095 332 L CA 0.253 55.051 54.840 -0.069 0.000 0.770 332 L CB -0.210 41.712 42.059 -0.229 0.000 0.914 332 L HN 0.203 nan 8.230 nan 0.000 0.439 333 L N -0.786 120.460 121.223 0.038 0.000 2.109 333 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 333 L C 2.357 179.327 176.870 0.167 0.000 1.086 333 L CA 1.945 56.839 54.840 0.090 0.000 0.760 333 L CB -0.704 41.395 42.059 0.066 0.000 0.910 333 L HN 0.084 nan 8.230 nan 0.000 0.437 334 T N -0.003 114.654 114.554 0.171 0.000 2.708 334 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 334 T C 1.973 176.836 174.700 0.271 0.000 1.037 334 T CA 1.922 64.198 62.100 0.294 0.000 1.146 334 T CB -0.352 68.656 68.868 0.234 0.000 0.865 334 T HN 0.295 nan 8.240 nan 0.000 0.435 335 L N 0.649 121.965 121.223 0.155 0.000 2.083 335 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 335 L C 2.918 179.872 176.870 0.139 0.000 1.083 335 L CA 1.146 56.049 54.840 0.105 0.000 0.752 335 L CB -0.939 41.167 42.059 0.079 0.000 0.899 335 L HN 0.286 nan 8.230 nan 0.000 0.433 336 T N -1.270 113.404 114.554 0.199 0.000 2.746 336 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 336 T C 1.315 176.147 174.700 0.221 0.000 1.039 336 T CA 1.625 63.863 62.100 0.231 0.000 1.142 336 T CB -0.367 68.648 68.868 0.245 0.000 0.866 336 T HN 0.552 nan 8.240 nan 0.000 0.444 337 W N 2.071 123.395 121.300 0.040 0.000 2.355 337 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 337 W C 1.616 178.098 176.519 -0.061 0.000 1.206 337 W CA 0.478 57.817 57.345 -0.010 0.000 1.284 337 W CB -0.652 28.798 29.460 -0.018 0.000 1.145 337 W HN 0.046 nan 8.180 nan 0.000 0.502 338 I N 1.569 121.902 120.570 -0.396 0.000 2.286 338 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 338 I C 2.544 178.466 176.117 -0.324 0.000 1.115 338 I CA 1.872 62.791 61.300 -0.635 0.000 1.392 338 I CB -2.085 35.683 38.000 -0.387 0.000 1.065 338 I HN 0.265 nan 8.210 nan 0.000 0.418 339 G N 0.253 109.004 108.800 -0.083 0.000 2.498 339 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 339 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 339 G C 1.547 176.530 174.900 0.138 0.000 1.119 339 G CA 0.801 45.972 45.100 0.120 0.000 0.766 339 G HN 0.520 nan 8.290 nan 0.000 0.552 340 G N -1.217 107.575 108.800 -0.013 0.000 3.088 340 G HA2 0.296 4.256 3.960 -0.000 0.000 0.217 340 G HA3 0.296 4.256 3.960 -0.000 0.000 0.217 340 G C 0.611 175.452 174.900 -0.099 0.000 1.159 340 G CA -0.178 44.918 45.100 -0.008 0.000 0.760 340 G HN 0.285 nan 8.290 nan 0.000 0.550 341 Q N 0.568 120.209 119.800 -0.265 0.000 2.241 341 Q HA 0.386 4.726 4.340 -0.000 0.000 0.262 341 Q C -2.422 173.501 176.000 -0.129 0.000 1.014 341 Q CA -2.043 53.539 55.803 -0.368 0.000 0.885 341 Q CB 1.855 29.928 28.738 -1.109 0.000 1.311 341 Q HN 0.078 nan 8.270 nan 0.000 0.461 342 P HA 0.093 nan 4.420 nan 0.000 0.272 342 P C -0.234 177.130 177.300 0.107 0.000 1.230 342 P CA -0.295 62.873 63.100 0.113 0.000 0.788 342 P CB 0.603 32.410 31.700 0.178 0.000 0.949 343 V N 1.773 121.728 119.914 0.068 0.000 2.054 343 V HA 0.102 4.222 4.120 -0.000 0.000 0.243 343 V C 0.725 176.858 176.094 0.065 0.000 1.480 343 V CA 0.704 63.026 62.300 0.038 0.000 1.440 343 V CB -1.881 29.938 31.823 -0.006 0.000 1.489 343 V HN 0.515 nan 8.190 nan 0.000 0.502 344 E N 0.706 120.973 120.200 0.112 0.000 2.416 344 E HA 0.378 4.728 4.350 -0.000 0.000 0.273 344 E C -0.664 175.948 176.600 0.020 0.000 0.935 344 E CA -0.980 55.468 56.400 0.080 0.000 0.784 344 E CB 1.981 31.735 29.700 0.090 0.000 1.301 344 E HN 0.577 nan 8.360 nan 0.000 0.454 345 H N 3.317 122.335 119.070 -0.087 0.000 2.815 345 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 345 H C -1.816 173.331 175.328 -0.303 0.000 1.080 345 H CA -1.031 54.934 56.048 -0.138 0.000 1.433 345 H CB 1.131 30.841 29.762 -0.088 0.000 1.432 345 H HN 0.331 nan 8.280 nan 0.000 0.592 346 P HA -0.021 nan 4.420 nan 0.000 0.261 346 P C 0.521 177.577 177.300 -0.407 0.000 1.268 346 P CA 0.125 62.643 63.100 -0.969 0.000 0.833 346 P CB 0.065 31.235 31.700 -0.884 0.000 1.231 347 Y N 0.626 120.791 120.300 -0.226 0.000 2.256 347 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 347 Y C 2.492 178.280 175.900 -0.186 0.000 1.155 347 Y CA 0.283 58.234 58.100 -0.249 0.000 1.203 347 Y CB -1.453 36.839 38.460 -0.280 0.000 0.980 347 Y HN -0.080 nan 8.280 nan 0.000 0.530 348 I N -0.760 119.815 120.570 0.009 0.000 2.179 348 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 348 I C 2.154 178.263 176.117 -0.013 0.000 1.088 348 I CA 1.902 63.197 61.300 -0.007 0.000 1.357 348 I CB -0.708 37.295 38.000 0.006 0.000 1.051 348 I HN 0.172 nan 8.210 nan 0.000 0.409 349 T N 1.108 115.651 114.554 -0.019 0.000 2.777 349 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 349 T C 1.941 176.645 174.700 0.008 0.000 1.040 349 T CA 1.169 63.267 62.100 -0.003 0.000 1.141 349 T CB -0.212 68.655 68.868 -0.003 0.000 0.868 349 T HN 0.221 nan 8.240 nan 0.000 0.444 350 I N 1.298 121.870 120.570 0.004 0.000 2.226 350 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 350 I C 2.903 179.038 176.117 0.030 0.000 1.100 350 I CA 1.321 62.647 61.300 0.044 0.000 1.374 350 I CB -0.730 37.321 38.000 0.085 0.000 1.057 350 I HN 0.309 nan 8.210 nan 0.000 0.413 351 G N -0.040 108.751 108.800 -0.014 0.000 2.422 351 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 351 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 351 G C 1.586 176.487 174.900 0.003 0.000 1.146 351 G CA 0.414 45.496 45.100 -0.029 0.000 0.769 351 G HN 0.419 nan 8.290 nan 0.000 0.547 352 Q N -0.421 119.386 119.800 0.011 0.000 2.123 352 Q HA 0.133 4.473 4.340 -0.000 0.000 0.199 352 Q C 2.635 178.669 176.000 0.057 0.000 0.966 352 Q CA 0.594 56.415 55.803 0.031 0.000 0.845 352 Q CB -0.167 28.585 28.738 0.023 0.000 0.907 352 Q HN 0.428 nan 8.270 nan 0.000 0.439 353 L N 0.079 121.335 121.223 0.055 0.000 2.056 353 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 353 L C 2.490 179.411 176.870 0.084 0.000 1.078 353 L CA 0.907 55.788 54.840 0.068 0.000 0.749 353 L CB -0.531 41.566 42.059 0.063 0.000 0.901 353 L HN 0.203 nan 8.230 nan 0.000 0.433 354 A N -0.694 122.173 122.820 0.080 0.000 1.933 354 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 354 A C 2.503 180.146 177.584 0.098 0.000 1.175 354 A CA 2.007 54.096 52.037 0.087 0.000 0.628 354 A CB -0.532 18.517 19.000 0.081 0.000 0.814 354 A HN 0.363 nan 8.150 nan 0.000 0.444 355 S N -0.496 115.261 115.700 0.096 0.000 2.368 355 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 355 S C 1.900 176.667 174.600 0.277 0.000 1.030 355 S CA 1.393 59.680 58.200 0.146 0.000 0.999 355 S CB -0.429 62.855 63.200 0.140 0.000 0.844 355 S HN 0.335 nan 8.310 nan 0.000 0.459 356 V N 1.846 121.893 119.914 0.221 0.000 2.343 356 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 356 V C 2.247 178.467 176.094 0.211 0.000 1.051 356 V CA 1.478 63.920 62.300 0.237 0.000 1.036 356 V CB -0.595 31.313 31.823 0.142 0.000 0.654 356 V HN 0.366 nan 8.190 nan 0.000 0.451 357 L N -0.581 120.729 121.223 0.145 0.000 2.083 357 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 357 L C 2.257 179.169 176.870 0.070 0.000 1.083 357 L CA 2.062 56.959 54.840 0.096 0.000 0.752 357 L CB -0.920 41.185 42.059 0.076 0.000 0.899 357 L HN 0.483 nan 8.230 nan 0.000 0.433 358 Y N -0.465 119.792 120.300 -0.072 0.000 2.081 358 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 358 Y C 2.118 177.855 175.900 -0.271 0.000 1.163 358 Y CA 2.248 60.206 58.100 -0.236 0.000 1.135 358 Y CB -0.635 37.587 38.460 -0.396 0.000 0.970 358 Y HN 0.213 nan 8.280 nan 0.000 0.498 359 F N -0.958 119.006 119.950 0.024 0.000 2.259 359 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 359 F C 2.127 177.882 175.800 -0.074 0.000 1.088 359 F CA 0.993 58.952 58.000 -0.069 0.000 1.358 359 F CB -0.863 38.204 39.000 0.112 0.000 1.040 359 F HN 0.167 nan 8.300 nan 0.000 0.505 360 L N -0.270 121.032 121.223 0.132 0.000 2.093 360 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 360 L C 2.037 178.899 176.870 -0.012 0.000 1.085 360 L CA 1.602 56.483 54.840 0.067 0.000 0.755 360 L CB -0.699 41.401 42.059 0.068 0.000 0.904 360 L HN 0.095 nan 8.230 nan 0.000 0.435 361 L N -1.028 120.152 121.223 -0.071 0.000 1.994 361 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 361 L C 2.438 179.215 176.870 -0.154 0.000 1.071 361 L CA 1.651 56.423 54.840 -0.114 0.000 0.745 361 L CB -0.398 41.569 42.059 -0.153 0.000 0.892 361 L HN 0.245 nan 8.230 nan 0.000 0.431 362 I N -0.664 119.761 120.570 -0.241 0.000 2.252 362 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 362 I C 2.207 178.241 176.117 -0.139 0.000 1.102 362 I CA 1.309 62.461 61.300 -0.247 0.000 1.385 362 I CB -0.148 37.614 38.000 -0.397 0.000 1.064 362 I HN 0.213 nan 8.210 nan 0.000 0.414 363 L N -0.728 120.456 121.223 -0.065 0.000 2.270 363 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 363 L C 1.927 178.793 176.870 -0.006 0.000 1.104 363 L CA 0.430 55.270 54.840 -0.000 0.000 0.804 363 L CB -0.019 42.093 42.059 0.089 0.000 0.937 363 L HN 0.072 nan 8.230 nan 0.000 0.450 364 V N -1.490 118.415 119.914 -0.014 0.000 3.054 364 V HA 0.020 4.139 4.120 -0.000 0.000 0.227 364 V C 1.954 178.032 176.094 -0.027 0.000 1.252 364 V CA 0.089 62.382 62.300 -0.012 0.000 1.279 364 V CB 0.235 32.062 31.823 0.007 0.000 1.118 364 V HN 0.117 nan 8.190 nan 0.000 0.504 365 L N -0.337 120.868 121.223 -0.030 0.000 2.017 365 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 365 L C 2.566 179.406 176.870 -0.049 0.000 1.073 365 L CA 1.963 56.784 54.840 -0.032 0.000 0.745 365 L CB -0.517 41.525 42.059 -0.027 0.000 0.894 365 L HN 0.327 nan 8.230 nan 0.000 0.432 366 M N -0.651 118.906 119.600 -0.071 0.000 2.099 366 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 366 M C -0.225 176.015 176.300 -0.100 0.000 1.067 366 M CA 1.972 57.218 55.300 -0.089 0.000 1.124 366 M CB -1.274 31.259 32.600 -0.112 0.000 1.353 366 M HN 0.095 nan 8.290 nan 0.000 0.410 367 P HA -0.081 nan 4.420 nan 0.000 0.217 367 P C 1.235 178.489 177.300 -0.077 0.000 1.150 367 P CA 1.329 64.371 63.100 -0.098 0.000 0.832 367 P CB -0.172 31.483 31.700 -0.075 0.000 0.787 368 T N -0.633 113.888 114.554 -0.054 0.000 2.777 368 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 368 T C 1.896 176.575 174.700 -0.036 0.000 1.040 368 T CA 1.532 63.611 62.100 -0.036 0.000 1.141 368 T CB -0.886 67.968 68.868 -0.022 0.000 0.868 368 T HN 0.031 nan 8.240 nan 0.000 0.444 369 A N 1.349 124.144 122.820 -0.042 0.000 1.933 369 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 369 A C 2.594 180.152 177.584 -0.043 0.000 1.175 369 A CA 1.789 53.806 52.037 -0.034 0.000 0.628 369 A CB -1.290 17.688 19.000 -0.036 0.000 0.814 369 A HN 0.508 nan 8.150 nan 0.000 0.444 370 G N -1.076 107.677 108.800 -0.079 0.000 2.418 370 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.217 370 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.217 370 G C 1.556 176.421 174.900 -0.058 0.000 1.158 370 G CA 1.628 46.667 45.100 -0.103 0.000 0.771 370 G HN 0.432 nan 8.290 nan 0.000 0.545 371 T N 1.176 115.701 114.554 -0.048 0.000 2.821 371 T HA 0.024 4.374 4.350 -0.000 0.000 0.267 371 T C 2.378 177.084 174.700 0.010 0.000 1.046 371 T CA 0.687 62.774 62.100 -0.021 0.000 1.139 371 T CB -0.090 68.765 68.868 -0.022 0.000 0.871 371 T HN 0.235 nan 8.240 nan 0.000 0.454 372 I N 1.034 121.607 120.570 0.006 0.000 2.226 372 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 372 I C 2.574 178.714 176.117 0.038 0.000 1.100 372 I CA 1.400 62.712 61.300 0.019 0.000 1.374 372 I CB -0.373 37.633 38.000 0.011 0.000 1.057 372 I HN 0.329 nan 8.210 nan 0.000 0.413 373 E N 0.754 120.977 120.200 0.039 0.000 2.110 373 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 373 E C 1.888 178.570 176.600 0.138 0.000 0.988 373 E CA 1.117 57.559 56.400 0.070 0.000 0.804 373 E CB -0.143 29.593 29.700 0.060 0.000 0.745 373 E HN 0.453 nan 8.360 nan 0.000 0.458 374 N N 0.810 119.603 118.700 0.154 0.000 2.084 374 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 374 N C 1.556 177.231 175.510 0.274 0.000 1.030 374 N CA 0.980 54.204 53.050 0.290 0.000 0.849 374 N CB -0.091 38.474 38.487 0.130 0.000 1.012 374 N HN 0.021 nan 8.380 nan 0.000 0.423 375 K N 1.102 121.585 120.400 0.138 0.000 2.097 375 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 375 K C 2.152 178.789 176.600 0.062 0.000 1.049 375 K CA 0.467 56.811 56.287 0.095 0.000 0.933 375 K CB -0.752 31.781 32.500 0.056 0.000 0.717 375 K HN 0.272 nan 8.250 nan 0.000 0.442 376 L N 0.355 121.609 121.223 0.051 0.000 2.191 376 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 376 L C 1.916 178.769 176.870 -0.029 0.000 1.103 376 L CA 0.771 55.619 54.840 0.013 0.000 0.769 376 L CB -0.229 41.841 42.059 0.017 0.000 0.908 376 L HN 0.063 nan 8.230 nan 0.000 0.438 377 L N -0.817 120.381 121.223 -0.042 0.000 2.607 377 L HA 0.067 4.407 4.340 -0.000 0.000 0.228 377 L C 0.519 177.212 176.870 -0.294 0.000 1.123 377 L CA 0.036 54.733 54.840 -0.239 0.000 0.890 377 L CB 0.011 41.819 42.059 -0.418 0.000 1.103 377 L HN 0.175 nan 8.230 nan 0.000 0.468 378 K N 0.171 120.528 120.400 -0.072 0.000 3.167 378 K HA -0.187 4.133 4.320 -0.000 0.000 0.272 378 K C -0.878 175.793 176.600 0.119 0.000 1.137 378 K CA 0.745 57.029 56.287 -0.005 0.000 0.800 378 K CB -1.312 31.152 32.500 -0.060 0.000 1.253 378 K HN 0.528 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 -0.005 0.000 1.226 379 W CB 0.000 29.457 29.460 -0.004 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535