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 1we5_1_A DATA FIRST_RESID 2 DATA SEQUENCE KISDGNWLIQ PGLNLIHPLQ VFEVEQQDNE XVVYAAPRDV RERTWQLDTP DATA SEQUENCE LFTLRFFSPQ EGIVGVRIEH FQGALNNGPH YPLNILQDVK VTIENTERYA DATA SEQUENCE EFKSGNLSAR VSKGEFWSLD FLRNGERITG SQVKNNGYVQ DTNNQRNYXF DATA SEQUENCE ERLDLGVGET VYGLGERFTA LVRNGQTVET WNRDGGTSTE QAYKNIPFYX DATA SEQUENCE TNRGYGVLVN HPQCVSFEVG SEKVSKVQFS VESEYLEYFV IDGPTPKAVL DATA SEQUENCE DRYTRFTGRP ALPPAWSFGL WLTTSFTTNY DEATVNSFID GXAERNLPLH DATA SEQUENCE VFHFDCFWXK AFQWCDFEWD PLTFPDPEGX IRRLKAKGLK ICVWINPYIG DATA SEQUENCE QKSPVFKELQ EKGYLLKRPD GSLWQWDKWQ PGLAIYDFTN PDACKWYADK DATA SEQUENCE LKGLVAXGVD CFKTDFGERI PTDVQWFDGS DPQKXHNHYA YIYNELVWNV DATA SEQUENCE LKDTVGEEEA VLFARSASVG AQKFPVHWGG DCYANYESXA ESLRGGLSIG DATA SEQUENCE LSGFGFWSHD IGGFENTAPA HVYKRWCAFG LLSSHSRLHG SKSYRVPWAY DATA SEQUENCE DDESCDVVRF FTQLKCRXXP YLYREAARAN ARGTPXXRAX XXEFPDDPAC DATA SEQUENCE DYLDRQYXLG DNVXVAPVFT EAGDVQFYLP EGRWTHLWHN DELDGSRWHK DATA SEQUENCE QQHGFLSLPV YVRDNTLLAL GNNDQRPDYV WHEGTAFHLF NLQDGHEAVC DATA SEQUENCE EVPAADGSVI FTLKAARTGN TITVTGAGEA KNWTLCLRNV VKVNGLQDGS DATA SEQUENCE QAESEQGLVV KPQGNALTIT L 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.453 176.600 -0.246 0.000 0.988 2 K CA 0.000 56.172 56.287 -0.192 0.000 0.838 2 K CB 0.000 32.415 32.500 -0.142 0.000 1.064 3 I N -0.124 120.279 120.570 -0.278 0.000 3.366 3 I HA -0.007 4.163 4.170 -0.000 0.000 0.267 3 I C 0.949 176.917 176.117 -0.248 0.000 1.149 3 I CA 0.221 61.319 61.300 -0.337 0.000 1.436 3 I CB 0.400 38.069 38.000 -0.553 0.000 1.379 3 I HN 0.585 nan 8.210 nan 0.000 0.460 4 S N 0.361 115.930 115.700 -0.219 0.000 2.610 4 S HA 0.221 4.690 4.470 -0.000 0.000 0.273 4 S C -0.367 174.163 174.600 -0.117 0.000 1.274 4 S CA -0.507 57.601 58.200 -0.152 0.000 1.023 4 S CB 1.757 64.868 63.200 -0.148 0.000 0.962 4 S HN 0.188 nan 8.310 nan 0.000 0.523 5 D N 0.920 121.272 120.400 -0.081 0.000 2.514 5 D HA 0.495 5.134 4.640 -0.000 0.000 0.267 5 D C 0.768 177.046 176.300 -0.038 0.000 1.165 5 D CA 0.826 54.794 54.000 -0.054 0.000 0.958 5 D CB -0.197 40.585 40.800 -0.030 0.000 0.992 5 D HN 1.123 nan 8.370 nan 0.000 0.506 6 G N 3.024 111.784 108.800 -0.067 0.000 2.725 6 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.220 6 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.220 6 G C 0.745 175.541 174.900 -0.174 0.000 1.357 6 G CA -0.052 44.999 45.100 -0.082 0.000 0.866 6 G HN 0.475 nan 8.290 nan 0.000 0.548 7 N N -0.816 117.680 118.700 -0.341 0.000 2.396 7 N HA 0.033 4.773 4.740 -0.000 0.000 0.180 7 N C 1.805 176.924 175.510 -0.652 0.000 1.028 7 N CA 2.333 55.021 53.050 -0.603 0.000 0.893 7 N CB -0.094 37.838 38.487 -0.924 0.000 0.967 7 N HN 0.611 nan 8.380 nan 0.000 0.440 8 W N -0.243 121.044 121.300 -0.022 0.000 3.013 8 W HA 0.407 5.067 4.660 -0.000 0.000 0.280 8 W C 0.020 176.527 176.519 -0.020 0.000 1.249 8 W CA -0.560 56.774 57.345 -0.018 0.000 1.577 8 W CB 0.348 29.799 29.460 -0.016 0.000 1.057 8 W HN -0.147 nan 8.180 nan 0.000 0.613 9 L N 0.532 121.832 121.223 0.127 0.000 2.279 9 L HA 0.539 4.879 4.340 -0.000 0.000 0.262 9 L C -0.172 176.700 176.870 0.004 0.000 1.019 9 L CA -1.437 53.445 54.840 0.071 0.000 0.823 9 L CB 1.539 43.638 42.059 0.067 0.000 1.358 9 L HN -0.353 nan 8.230 nan 0.000 0.432 10 I N 0.653 121.219 120.570 -0.007 0.000 2.493 10 I HA 0.281 4.451 4.170 -0.000 0.000 0.298 10 I C 0.031 176.116 176.117 -0.054 0.000 0.998 10 I CA -0.800 60.473 61.300 -0.044 0.000 1.137 10 I CB 1.599 39.578 38.000 -0.036 0.000 1.310 10 I HN 0.556 nan 8.210 nan 0.000 0.445 11 Q N 4.653 124.402 119.800 -0.086 0.000 2.333 11 Q HA 0.109 4.449 4.340 -0.000 0.000 0.299 11 Q C -2.150 173.810 176.000 -0.068 0.000 1.067 11 Q CA -1.193 54.561 55.803 -0.083 0.000 0.943 11 Q CB -0.109 28.560 28.738 -0.115 0.000 1.233 11 Q HN 0.262 nan 8.270 nan 0.000 0.401 12 P HA -0.021 nan 4.420 nan 0.000 0.264 12 P C 0.423 177.695 177.300 -0.047 0.000 1.183 12 P CA 1.044 64.119 63.100 -0.042 0.000 0.763 12 P CB 0.352 32.031 31.700 -0.034 0.000 0.807 13 G N 1.877 110.653 108.800 -0.040 0.000 2.148 13 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 13 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 13 G C -0.236 174.633 174.900 -0.052 0.000 0.981 13 G CA -0.310 44.766 45.100 -0.040 0.000 0.670 13 G HN 0.456 nan 8.290 nan 0.000 0.528 14 L N 0.304 121.488 121.223 -0.065 0.000 2.313 14 L HA 0.452 4.792 4.340 -0.000 0.000 0.283 14 L C -0.006 176.818 176.870 -0.077 0.000 1.013 14 L CA -0.707 54.081 54.840 -0.086 0.000 0.816 14 L CB 1.614 43.602 42.059 -0.120 0.000 1.236 14 L HN 0.141 nan 8.230 nan 0.000 0.419 15 N N 4.509 123.158 118.700 -0.085 0.000 2.424 15 N HA 0.635 5.375 4.740 -0.000 0.000 0.271 15 N C -1.187 174.266 175.510 -0.095 0.000 0.985 15 N CA -0.624 52.384 53.050 -0.070 0.000 0.921 15 N CB 1.872 40.327 38.487 -0.055 0.000 1.149 15 N HN 0.348 nan 8.380 nan 0.000 0.492 16 L N 3.047 124.224 121.223 -0.077 0.000 2.333 16 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 16 L C -0.289 176.493 176.870 -0.147 0.000 1.010 16 L CA -1.174 53.593 54.840 -0.122 0.000 0.818 16 L CB 1.587 43.569 42.059 -0.128 0.000 1.306 16 L HN 0.487 nan 8.230 nan 0.000 0.430 17 I N -1.772 118.667 120.570 -0.219 0.000 2.802 17 I HA 0.621 4.790 4.170 -0.000 0.000 0.298 17 I C -1.461 174.525 176.117 -0.217 0.000 1.176 17 I CA -0.680 60.554 61.300 -0.110 0.000 1.025 17 I CB 2.359 40.391 38.000 0.054 0.000 1.243 17 I HN 0.563 nan 8.210 nan 0.000 0.424 18 H N 2.349 121.499 119.070 0.133 0.000 2.865 18 H HA 0.590 5.146 4.556 -0.000 0.000 0.372 18 H C -2.836 172.232 175.328 -0.434 0.000 1.173 18 H CA -2.263 53.632 56.048 -0.256 0.000 1.147 18 H CB 1.811 31.423 29.762 -0.250 0.000 1.805 18 H HN 0.387 nan 8.280 nan 0.000 0.553 19 P HA 0.127 nan 4.420 nan 0.000 0.281 19 P C 0.005 176.577 177.300 -1.213 0.000 1.286 19 P CA 0.127 62.666 63.100 -0.934 0.000 0.772 19 P CB 0.660 31.640 31.700 -1.200 0.000 0.862 20 L N 1.803 122.646 121.223 -0.633 0.000 2.717 20 L HA 0.285 4.625 4.340 -0.000 0.000 0.239 20 L C 0.860 177.736 176.870 0.009 0.000 1.086 20 L CA 0.326 54.934 54.840 -0.386 0.000 0.897 20 L CB 0.476 42.465 42.059 -0.116 0.000 1.214 20 L HN 0.360 nan 8.230 nan 0.000 0.508 21 Q N 1.006 120.855 119.800 0.081 0.000 2.271 21 Q HA 0.347 4.687 4.340 -0.000 0.000 0.268 21 Q C -1.303 174.920 176.000 0.372 0.000 1.021 21 Q CA -0.350 55.620 55.803 0.278 0.000 0.802 21 Q CB 3.294 32.145 28.738 0.190 0.000 1.282 21 Q HN -0.139 nan 8.270 nan 0.000 0.431 22 V N 5.450 125.639 119.914 0.459 0.000 2.485 22 V HA -0.007 4.113 4.120 -0.000 0.000 0.287 22 V C 0.520 176.826 176.094 0.354 0.000 1.022 22 V CA 0.702 63.258 62.300 0.425 0.000 1.067 22 V CB 0.281 32.286 31.823 0.303 0.000 0.967 22 V HN 0.813 nan 8.190 nan 0.000 0.479 23 F N 3.645 123.740 119.950 0.242 0.000 2.343 23 F HA 0.331 4.858 4.527 -0.000 0.000 0.286 23 F C 0.989 176.893 175.800 0.173 0.000 1.057 23 F CA 0.776 58.887 58.000 0.185 0.000 1.365 23 F CB 0.501 39.608 39.000 0.178 0.000 1.114 23 F HN 0.553 nan 8.300 nan 0.000 0.545 24 E N 0.089 120.386 120.200 0.161 0.000 2.372 24 E HA 0.490 4.839 4.350 -0.000 0.000 0.279 24 E C -2.021 174.740 176.600 0.267 0.000 0.946 24 E CA -0.718 55.712 56.400 0.051 0.000 0.769 24 E CB 2.407 32.081 29.700 -0.044 0.000 1.230 24 E HN -0.151 nan 8.360 nan 0.000 0.442 25 V N 2.715 122.724 119.914 0.159 0.000 2.540 25 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 25 V C -0.537 175.648 176.094 0.152 0.000 1.035 25 V CA -0.648 61.752 62.300 0.166 0.000 0.873 25 V CB 1.721 33.602 31.823 0.097 0.000 0.992 25 V HN 0.671 nan 8.190 nan 0.000 0.428 26 E N 2.266 122.574 120.200 0.180 0.000 2.336 26 E HA 0.522 4.872 4.350 -0.000 0.000 0.267 26 E C -1.191 175.485 176.600 0.126 0.000 0.906 26 E CA -0.836 55.657 56.400 0.154 0.000 0.781 26 E CB 2.886 32.712 29.700 0.210 0.000 1.261 26 E HN 0.661 nan 8.360 nan 0.000 0.436 27 Q N 1.919 121.782 119.800 0.105 0.000 2.381 27 Q HA 0.166 4.506 4.340 -0.000 0.000 0.263 27 Q C -1.271 174.785 176.000 0.093 0.000 1.030 27 Q CA -0.309 55.557 55.803 0.105 0.000 0.772 27 Q CB 1.171 29.963 28.738 0.090 0.000 1.232 27 Q HN 0.378 nan 8.270 nan 0.000 0.476 28 Q N 3.941 123.798 119.800 0.094 0.000 2.655 28 Q HA 0.155 4.494 4.340 -0.000 0.000 0.228 28 Q C -0.868 175.175 176.000 0.071 0.000 1.186 28 Q CA 0.036 55.883 55.803 0.073 0.000 1.004 28 Q CB 0.407 29.181 28.738 0.060 0.000 1.242 28 Q HN 0.864 nan 8.270 nan 0.000 0.558 29 D N 1.279 121.721 120.400 0.069 0.000 4.454 29 D HA -0.312 4.328 4.640 -0.000 0.000 0.140 29 D C 0.074 176.434 176.300 0.100 0.000 0.720 29 D CA 1.821 55.862 54.000 0.069 0.000 1.158 29 D CB -0.752 40.079 40.800 0.053 0.000 0.598 29 D HN 0.556 nan 8.370 nan 0.000 0.553 30 N N 1.667 120.438 118.700 0.118 0.000 2.268 30 N HA 0.176 4.915 4.740 -0.000 0.000 0.204 30 N C -0.864 174.818 175.510 0.288 0.000 1.124 30 N CA 0.396 53.554 53.050 0.181 0.000 0.838 30 N CB 0.357 38.940 38.487 0.160 0.000 0.994 30 N HN 0.361 nan 8.380 nan 0.000 0.489 34 V N 4.881 124.789 119.914 -0.009 0.000 2.448 34 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 34 V C -1.129 174.944 176.094 -0.035 0.000 1.025 34 V CA -0.711 61.647 62.300 0.096 0.000 0.859 34 V CB 1.887 33.892 31.823 0.303 0.000 0.988 34 V HN 0.764 nan 8.190 nan 0.000 0.431 35 Y N 3.072 123.539 120.300 0.278 0.000 2.353 35 Y HA 0.694 5.244 4.550 -0.000 0.000 0.340 35 Y C 0.526 176.632 175.900 0.342 0.000 0.972 35 Y CA -0.379 57.898 58.100 0.295 0.000 1.157 35 Y CB 1.556 40.211 38.460 0.325 0.000 1.157 35 Y HN 0.704 nan 8.280 nan 0.000 0.495 36 A N 2.550 125.610 122.820 0.400 0.000 2.331 36 A HA 0.875 5.194 4.320 -0.000 0.000 0.320 36 A C -0.585 177.154 177.584 0.258 0.000 1.138 36 A CA -0.647 51.576 52.037 0.311 0.000 0.790 36 A CB 0.564 19.631 19.000 0.113 0.000 1.206 36 A HN 0.782 nan 8.150 nan 0.000 0.470 37 A N 3.377 126.318 122.820 0.202 0.000 2.293 37 A HA 0.775 5.094 4.320 -0.000 0.000 0.302 37 A C -1.866 175.783 177.584 0.108 0.000 1.119 37 A CA -1.672 50.448 52.037 0.137 0.000 0.823 37 A CB 0.471 19.526 19.000 0.092 0.000 1.097 37 A HN 0.577 nan 8.150 nan 0.000 0.491 38 P HA 0.102 nan 4.420 nan 0.000 0.255 38 P C -0.191 177.144 177.300 0.058 0.000 1.301 38 P CA 0.354 63.525 63.100 0.119 0.000 0.817 38 P CB -0.147 31.642 31.700 0.149 0.000 1.259 39 R N -2.719 117.806 120.500 0.041 0.000 2.752 39 R HA 0.347 4.687 4.340 -0.000 0.000 0.277 39 R C -1.485 174.842 176.300 0.044 0.000 1.024 39 R CA -0.831 55.284 56.100 0.024 0.000 0.866 39 R CB -0.524 29.767 30.300 -0.015 0.000 1.278 39 R HN -0.374 nan 8.270 nan 0.000 0.473 40 D N 0.721 121.146 120.400 0.042 0.000 2.472 40 D HA 0.097 4.737 4.640 -0.000 0.000 0.248 40 D C -0.525 175.850 176.300 0.125 0.000 1.174 40 D CA 0.438 54.489 54.000 0.085 0.000 0.883 40 D CB 1.497 42.348 40.800 0.084 0.000 1.149 40 D HN 0.367 nan 8.370 nan 0.000 0.488 41 V N 5.826 125.836 119.914 0.160 0.000 3.017 41 V HA 0.160 4.280 4.120 -0.000 0.000 0.354 41 V C 1.611 177.847 176.094 0.237 0.000 1.389 41 V CA -0.195 62.215 62.300 0.183 0.000 1.163 41 V CB -0.222 31.657 31.823 0.094 0.000 1.178 41 V HN 0.503 nan 8.190 nan 0.000 0.547 42 R N 1.135 121.760 120.500 0.208 0.000 2.115 42 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 42 R C 0.756 177.142 176.300 0.144 0.000 1.100 42 R CA 0.849 57.055 56.100 0.177 0.000 0.980 42 R CB 0.153 30.528 30.300 0.124 0.000 0.875 42 R HN 0.649 nan 8.270 nan 0.000 0.445 43 E N 1.471 121.753 120.200 0.136 0.000 2.259 43 E HA 0.043 4.393 4.350 -0.000 0.000 0.281 43 E C 0.010 176.633 176.600 0.038 0.000 1.027 43 E CA -0.199 56.228 56.400 0.046 0.000 0.838 43 E CB 1.127 30.805 29.700 -0.037 0.000 1.066 43 E HN 0.045 nan 8.360 nan 0.000 0.401 44 R N 1.298 121.798 120.500 -0.000 0.000 2.105 44 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 44 R C 1.979 178.254 176.300 -0.043 0.000 1.135 44 R CA 2.134 58.238 56.100 0.007 0.000 0.967 44 R CB -0.622 29.675 30.300 -0.005 0.000 0.861 44 R HN 0.765 nan 8.270 nan 0.000 0.442 45 T N -2.801 111.637 114.554 -0.193 0.000 2.977 45 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 45 T C 1.345 175.968 174.700 -0.129 0.000 1.105 45 T CA 0.700 62.604 62.100 -0.328 0.000 1.116 45 T CB -0.224 68.221 68.868 -0.705 0.000 0.878 45 T HN 0.498 nan 8.240 nan 0.000 0.509 46 W N 1.158 122.460 121.300 0.003 0.000 3.132 46 W HA 0.349 5.009 4.660 -0.000 0.000 0.364 46 W C 1.004 177.506 176.519 -0.028 0.000 1.129 46 W CA -0.989 56.353 57.345 -0.005 0.000 1.815 46 W CB 0.394 29.858 29.460 0.006 0.000 1.099 46 W HN 0.179 nan 8.180 nan 0.000 0.605 47 Q N 2.439 122.348 119.800 0.181 0.000 2.938 47 Q HA 0.108 4.448 4.340 -0.000 0.000 0.343 47 Q C -0.214 175.788 176.000 0.002 0.000 1.185 47 Q CA 0.301 56.120 55.803 0.028 0.000 0.939 47 Q CB -0.240 28.493 28.738 -0.008 0.000 1.480 47 Q HN 0.083 nan 8.270 nan 0.000 0.442 48 L N -4.198 117.055 121.223 0.051 0.000 3.020 48 L HA 0.453 4.793 4.340 -0.000 0.000 0.273 48 L C -1.026 175.868 176.870 0.039 0.000 1.018 48 L CA -0.796 54.061 54.840 0.030 0.000 0.950 48 L CB 0.709 42.797 42.059 0.048 0.000 1.510 48 L HN 0.026 nan 8.230 nan 0.000 0.404 49 D N 0.152 120.561 120.400 0.015 0.000 2.699 49 D HA -0.094 4.546 4.640 -0.000 0.000 0.239 49 D C -0.087 176.201 176.300 -0.020 0.000 1.136 49 D CA 1.845 55.847 54.000 0.003 0.000 0.668 49 D CB -0.641 40.167 40.800 0.013 0.000 1.060 49 D HN 1.055 nan 8.370 nan 0.000 0.429 50 T N -1.258 113.281 114.554 -0.024 0.000 3.012 50 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 50 T C -2.671 172.005 174.700 -0.041 0.000 1.321 50 T CA -1.208 60.869 62.100 -0.038 0.000 1.067 50 T CB 1.636 70.477 68.868 -0.046 0.000 1.235 50 T HN -0.228 nan 8.240 nan 0.000 0.479 51 P HA 0.641 nan 4.420 nan 0.000 0.274 51 P C -1.510 175.715 177.300 -0.125 0.000 1.246 51 P CA -0.699 62.346 63.100 -0.091 0.000 0.795 51 P CB 0.467 32.060 31.700 -0.178 0.000 1.006 52 L N 1.078 122.205 121.223 -0.160 0.000 2.505 52 L HA 0.483 4.822 4.340 -0.000 0.000 0.266 52 L C -1.593 175.213 176.870 -0.106 0.000 0.954 52 L CA -0.365 54.435 54.840 -0.067 0.000 0.852 52 L CB 0.991 43.057 42.059 0.012 0.000 1.282 52 L HN 0.143 nan 8.230 nan 0.000 0.403 53 F N 2.272 122.262 119.950 0.065 0.000 2.394 53 F HA 0.570 5.097 4.527 -0.000 0.000 0.340 53 F C 0.679 176.514 175.800 0.059 0.000 1.105 53 F CA -0.136 57.888 58.000 0.040 0.000 1.124 53 F CB 1.838 40.823 39.000 -0.026 0.000 1.145 53 F HN 0.363 nan 8.300 nan 0.000 0.505 54 T N 5.353 120.025 114.554 0.196 0.000 2.788 54 T HA 0.534 4.884 4.350 -0.000 0.000 0.296 54 T C -0.622 174.060 174.700 -0.030 0.000 1.009 54 T CA -0.487 61.605 62.100 -0.014 0.000 0.949 54 T CB 0.281 69.134 68.868 -0.026 0.000 0.946 54 T HN 0.142 nan 8.240 nan 0.000 0.453 55 L N 3.601 124.781 121.223 -0.071 0.000 2.287 55 L HA 0.568 4.908 4.340 -0.000 0.000 0.287 55 L C 0.383 177.120 176.870 -0.222 0.000 1.022 55 L CA -0.395 54.368 54.840 -0.129 0.000 0.814 55 L CB 1.179 43.244 42.059 0.010 0.000 1.217 55 L HN 0.420 nan 8.230 nan 0.000 0.420 56 R N 3.197 123.492 120.500 -0.343 0.000 2.393 56 R HA 0.587 4.927 4.340 -0.000 0.000 0.315 56 R C -1.567 174.502 176.300 -0.385 0.000 0.952 56 R CA -0.471 55.485 56.100 -0.240 0.000 0.842 56 R CB 0.810 31.016 30.300 -0.158 0.000 1.163 56 R HN 0.368 nan 8.270 nan 0.000 0.450 57 F N 6.056 125.904 119.950 -0.169 0.000 2.436 57 F HA 0.507 5.034 4.527 -0.000 0.000 0.340 57 F C -0.235 175.134 175.800 -0.718 0.000 1.113 57 F CA -0.557 57.172 58.000 -0.451 0.000 1.022 57 F CB 1.258 39.897 39.000 -0.602 0.000 1.128 57 F HN 0.438 nan 8.300 nan 0.000 0.466 58 F N -0.220 119.333 119.950 -0.662 0.000 2.711 58 F HA 0.740 5.267 4.527 -0.000 0.000 0.313 58 F C -1.085 174.760 175.800 0.075 0.000 1.141 58 F CA -1.619 56.155 58.000 -0.376 0.000 0.941 58 F CB 1.514 40.454 39.000 -0.099 0.000 1.349 58 F HN 0.223 nan 8.300 nan 0.000 0.464 59 S N 1.744 117.648 115.700 0.340 0.000 2.707 59 S HA 0.529 4.999 4.470 -0.000 0.000 0.303 59 S C -2.189 172.495 174.600 0.140 0.000 1.132 59 S CA -1.410 56.904 58.200 0.190 0.000 1.046 59 S CB 1.505 64.877 63.200 0.288 0.000 1.004 59 S HN 0.613 nan 8.310 nan 0.000 0.483 60 P HA 0.152 nan 4.420 nan 0.000 0.230 60 P C -0.360 176.855 177.300 -0.141 0.000 1.168 60 P CA 0.505 63.583 63.100 -0.036 0.000 0.793 60 P CB 0.380 31.986 31.700 -0.157 0.000 0.851 61 Q N -0.818 118.838 119.800 -0.240 0.000 2.511 61 Q HA 0.221 4.561 4.340 -0.000 0.000 0.289 61 Q C -0.572 175.344 176.000 -0.139 0.000 1.021 61 Q CA -0.654 55.033 55.803 -0.193 0.000 0.785 61 Q CB 1.509 30.072 28.738 -0.292 0.000 1.472 61 Q HN -0.019 nan 8.270 nan 0.000 0.411 62 E N 0.139 120.283 120.200 -0.094 0.000 2.376 62 E HA 0.249 4.599 4.350 -0.000 0.000 0.266 62 E C 0.440 176.995 176.600 -0.075 0.000 1.009 62 E CA 1.229 57.588 56.400 -0.068 0.000 0.902 62 E CB 0.310 29.978 29.700 -0.052 0.000 0.972 62 E HN 0.780 nan 8.360 nan 0.000 0.439 63 G N 4.394 113.161 108.800 -0.055 0.000 2.143 63 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.249 63 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.249 63 G C 0.226 175.102 174.900 -0.040 0.000 0.981 63 G CA 0.298 45.376 45.100 -0.036 0.000 0.665 63 G HN 0.505 nan 8.290 nan 0.000 0.528 64 I N 0.678 121.201 120.570 -0.078 0.000 2.439 64 I HA 0.434 4.604 4.170 -0.000 0.000 0.285 64 I C -0.219 175.883 176.117 -0.024 0.000 1.021 64 I CA -1.063 60.169 61.300 -0.113 0.000 1.091 64 I CB 2.185 39.949 38.000 -0.393 0.000 1.242 64 I HN -0.137 nan 8.210 nan 0.000 0.439 65 V N 5.379 125.341 119.914 0.080 0.000 2.347 65 V HA 0.486 4.606 4.120 -0.000 0.000 0.280 65 V C 0.704 176.810 176.094 0.020 0.000 1.021 65 V CA -0.472 61.917 62.300 0.149 0.000 0.847 65 V CB 1.468 33.495 31.823 0.339 0.000 0.990 65 V HN 0.875 nan 8.190 nan 0.000 0.444 66 G N 3.720 112.341 108.800 -0.299 0.000 2.395 66 G HA2 0.565 4.525 3.960 -0.000 0.000 0.283 66 G HA3 0.565 4.525 3.960 -0.000 0.000 0.283 66 G C -0.891 173.556 174.900 -0.754 0.000 1.178 66 G CA -0.297 44.340 45.100 -0.772 0.000 0.837 66 G HN 0.566 nan 8.290 nan 0.000 0.518 67 V N 2.275 121.730 119.914 -0.765 0.000 2.525 67 V HA 0.526 4.645 4.120 -0.000 0.000 0.299 67 V C -0.051 175.713 176.094 -0.549 0.000 1.034 67 V CA -0.898 60.957 62.300 -0.742 0.000 0.863 67 V CB 1.736 33.034 31.823 -0.875 0.000 0.999 67 V HN 0.819 nan 8.190 nan 0.000 0.423 68 R N 5.125 125.417 120.500 -0.347 0.000 2.409 68 R HA 0.666 5.006 4.340 -0.000 0.000 0.313 68 R C -1.443 174.796 176.300 -0.103 0.000 0.953 68 R CA -0.542 55.491 56.100 -0.111 0.000 0.849 68 R CB 1.193 31.475 30.300 -0.031 0.000 1.171 68 R HN 0.746 nan 8.270 nan 0.000 0.458 69 I N 5.277 125.869 120.570 0.036 0.000 2.354 69 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 69 I C -0.046 176.199 176.117 0.214 0.000 1.007 69 I CA -0.581 60.769 61.300 0.083 0.000 1.167 69 I CB 1.559 39.601 38.000 0.070 0.000 1.320 69 I HN 0.592 nan 8.210 nan 0.000 0.458 70 E N 5.159 125.483 120.200 0.206 0.000 2.256 70 E HA 0.387 4.737 4.350 -0.000 0.000 0.267 70 E C -0.523 176.191 176.600 0.190 0.000 0.892 70 E CA -0.732 55.807 56.400 0.232 0.000 0.775 70 E CB 2.586 32.383 29.700 0.162 0.000 1.207 70 E HN 0.616 nan 8.360 nan 0.000 0.420 71 H N 2.203 121.248 119.070 -0.042 0.000 2.396 71 H HA 0.189 4.745 4.556 -0.000 0.000 0.330 71 H C -0.410 174.859 175.328 -0.097 0.000 1.271 71 H CA -0.140 55.684 56.048 -0.373 0.000 1.927 71 H CB 0.338 29.557 29.762 -0.906 0.000 1.537 71 H HN 0.397 nan 8.280 nan 0.000 0.627 72 F N 2.043 121.682 119.950 -0.519 0.000 2.404 72 F HA 0.226 4.753 4.527 -0.000 0.000 0.345 72 F C 1.216 176.939 175.800 -0.129 0.000 1.110 72 F CA -0.510 57.252 58.000 -0.396 0.000 1.130 72 F CB 1.648 40.422 39.000 -0.376 0.000 1.129 72 F HN 0.422 nan 8.300 nan 0.000 0.500 73 Q N 1.786 121.630 119.800 0.073 0.000 2.408 73 Q HA 0.099 4.439 4.340 -0.000 0.000 0.205 73 Q C 1.978 177.988 176.000 0.017 0.000 0.919 73 Q CA 0.500 56.324 55.803 0.035 0.000 0.932 73 Q CB 0.247 28.979 28.738 -0.010 0.000 1.058 73 Q HN 0.985 nan 8.270 nan 0.000 0.517 74 G N 1.084 109.874 108.800 -0.017 0.000 2.708 74 G HA2 0.094 4.053 3.960 -0.000 0.000 0.210 74 G HA3 0.094 4.053 3.960 -0.000 0.000 0.210 74 G C 0.524 175.434 174.900 0.016 0.000 1.141 74 G CA 0.374 45.451 45.100 -0.038 0.000 0.788 74 G HN 0.354 nan 8.290 nan 0.000 0.531 75 A N -0.345 122.520 122.820 0.076 0.000 2.406 75 A HA 0.489 4.809 4.320 -0.000 0.000 0.243 75 A C 1.384 179.019 177.584 0.085 0.000 1.082 75 A CA -0.461 51.638 52.037 0.103 0.000 0.786 75 A CB 0.473 19.571 19.000 0.163 0.000 1.029 75 A HN 0.091 nan 8.150 nan 0.000 0.495 76 L N 1.121 122.394 121.223 0.083 0.000 2.027 76 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 76 L C 0.731 177.658 176.870 0.096 0.000 1.074 76 L CA 1.526 56.410 54.840 0.073 0.000 0.745 76 L CB -1.269 40.829 42.059 0.066 0.000 0.898 76 L HN 0.818 nan 8.230 nan 0.000 0.433 77 N N 0.868 119.650 118.700 0.135 0.000 2.688 77 N HA -0.209 4.531 4.740 -0.000 0.000 0.258 77 N C 0.196 175.802 175.510 0.160 0.000 1.016 77 N CA 0.533 53.697 53.050 0.189 0.000 0.747 77 N CB -1.250 37.369 38.487 0.220 0.000 0.895 77 N HN 0.473 nan 8.380 nan 0.000 0.543 78 N N 0.556 119.313 118.700 0.096 0.000 2.483 78 N HA 0.439 5.179 4.740 -0.000 0.000 0.271 78 N C 1.377 176.839 175.510 -0.079 0.000 1.350 78 N CA 0.757 53.828 53.050 0.035 0.000 0.886 78 N CB -0.545 37.961 38.487 0.032 0.000 1.106 78 N HN 0.495 nan 8.380 nan 0.000 0.441 79 G N 1.199 109.936 108.800 -0.105 0.000 2.953 79 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.421 79 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.421 79 G C -2.585 172.052 174.900 -0.437 0.000 1.531 79 G CA -0.599 44.382 45.100 -0.198 0.000 0.971 79 G HN 0.411 nan 8.290 nan 0.000 0.558 80 P HA 0.308 nan 4.420 nan 0.000 0.274 80 P C -0.545 176.294 177.300 -0.770 0.000 1.246 80 P CA -0.044 62.714 63.100 -0.570 0.000 0.795 80 P CB 0.779 32.158 31.700 -0.535 0.000 1.006 81 H N -0.547 118.300 119.070 -0.372 0.000 2.731 81 H HA 0.291 4.847 4.556 -0.000 0.000 0.368 81 H C -0.032 175.093 175.328 -0.339 0.000 1.168 81 H CA -0.529 55.329 56.048 -0.317 0.000 1.181 81 H CB 0.558 30.233 29.762 -0.146 0.000 1.743 81 H HN 0.428 nan 8.280 nan 0.000 0.547 82 Y N 1.865 122.118 120.300 -0.077 0.000 2.578 82 Y HA 0.008 4.557 4.550 -0.000 0.000 0.339 82 Y C -1.274 174.502 175.900 -0.206 0.000 1.231 82 Y CA -1.514 56.492 58.100 -0.157 0.000 1.461 82 Y CB 0.494 38.889 38.460 -0.109 0.000 1.323 82 Y HN 0.330 nan 8.280 nan 0.000 0.590 83 P HA 0.070 nan 4.420 nan 0.000 0.230 83 P C -0.897 176.263 177.300 -0.233 0.000 1.791 83 P CA 0.415 63.408 63.100 -0.178 0.000 1.020 83 P CB -0.423 31.098 31.700 -0.298 0.000 1.977 84 L N 2.109 123.202 121.223 -0.217 0.000 2.350 84 L HA 0.291 4.630 4.340 -0.000 0.000 0.275 84 L C 0.934 177.698 176.870 -0.176 0.000 1.099 84 L CA -0.441 54.171 54.840 -0.380 0.000 0.808 84 L CB 0.455 42.283 42.059 -0.385 0.000 1.149 84 L HN 0.108 nan 8.230 nan 0.000 0.442 85 N N 4.467 123.078 118.700 -0.149 0.000 2.437 85 N HA 0.391 5.131 4.740 -0.000 0.000 0.243 85 N C -0.672 174.927 175.510 0.149 0.000 1.041 85 N CA -0.043 53.014 53.050 0.011 0.000 0.940 85 N CB 1.246 39.731 38.487 -0.003 0.000 1.133 85 N HN 0.427 nan 8.380 nan 0.000 0.506 86 I N 3.477 124.116 120.570 0.116 0.000 2.355 86 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 86 I C 0.099 176.269 176.117 0.088 0.000 0.999 86 I CA -0.620 60.765 61.300 0.143 0.000 1.163 86 I CB 1.233 39.333 38.000 0.167 0.000 1.316 86 I HN 0.122 nan 8.210 nan 0.000 0.454 87 L N 6.153 127.420 121.223 0.073 0.000 2.360 87 L HA 0.429 4.769 4.340 -0.000 0.000 0.271 87 L C 0.462 177.378 176.870 0.077 0.000 1.057 87 L CA -0.405 54.468 54.840 0.054 0.000 0.803 87 L CB 1.183 43.260 42.059 0.030 0.000 1.207 87 L HN 0.624 nan 8.230 nan 0.000 0.445 88 Q N 0.332 120.171 119.800 0.065 0.000 2.135 88 Q HA 0.056 4.396 4.340 -0.000 0.000 0.222 88 Q C -0.463 175.577 176.000 0.066 0.000 0.808 88 Q CA -0.073 55.776 55.803 0.077 0.000 1.049 88 Q CB 0.586 29.359 28.738 0.058 0.000 1.168 88 Q HN 0.792 nan 8.270 nan 0.000 0.483 89 D N -2.139 118.293 120.400 0.053 0.000 2.469 89 D HA 0.060 4.699 4.640 -0.000 0.000 0.215 89 D C -0.034 176.287 176.300 0.035 0.000 1.154 89 D CA -0.228 53.796 54.000 0.040 0.000 0.832 89 D CB 0.476 41.292 40.800 0.026 0.000 1.008 89 D HN -0.176 nan 8.370 nan 0.000 0.506 90 V N 1.486 121.428 119.914 0.047 0.000 2.540 90 V HA -0.044 4.075 4.120 -0.000 0.000 0.297 90 V C 0.834 176.942 176.094 0.024 0.000 1.024 90 V CA -0.359 61.960 62.300 0.032 0.000 1.105 90 V CB 0.581 32.430 31.823 0.044 0.000 0.938 90 V HN 0.235 nan 8.190 nan 0.000 0.482 91 K N 5.206 125.603 120.400 -0.005 0.000 2.383 91 K HA 0.422 4.742 4.320 -0.000 0.000 0.286 91 K C -0.585 175.976 176.600 -0.064 0.000 1.051 91 K CA -0.235 56.037 56.287 -0.024 0.000 0.974 91 K CB 0.720 33.202 32.500 -0.030 0.000 0.968 91 K HN 0.683 nan 8.250 nan 0.000 0.475 92 V N 0.377 120.237 119.914 -0.089 0.000 3.114 92 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 92 V C -0.639 175.333 176.094 -0.203 0.000 1.168 92 V CA -0.783 61.382 62.300 -0.224 0.000 1.015 92 V CB 1.632 33.240 31.823 -0.359 0.000 1.050 92 V HN 0.855 nan 8.190 nan 0.000 0.433 93 T N 0.487 114.873 114.554 -0.279 0.000 2.885 93 T HA 0.832 5.182 4.350 -0.000 0.000 0.285 93 T C -0.690 173.898 174.700 -0.186 0.000 1.019 93 T CA -0.632 61.366 62.100 -0.169 0.000 1.010 93 T CB 1.594 70.389 68.868 -0.122 0.000 1.022 93 T HN 0.832 nan 8.240 nan 0.000 0.466 94 I N 1.669 122.204 120.570 -0.058 0.000 2.447 94 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 94 I C -0.345 175.784 176.117 0.021 0.000 1.023 94 I CA -0.697 60.615 61.300 0.019 0.000 1.083 94 I CB 2.148 40.217 38.000 0.115 0.000 1.245 94 I HN 0.776 nan 8.210 nan 0.000 0.434 95 E N 5.399 125.618 120.200 0.032 0.000 2.210 95 E HA 0.371 4.721 4.350 -0.000 0.000 0.266 95 E C -1.206 175.411 176.600 0.028 0.000 0.883 95 E CA -0.677 55.742 56.400 0.033 0.000 0.761 95 E CB 1.657 31.401 29.700 0.074 0.000 1.156 95 E HN 0.505 nan 8.360 nan 0.000 0.412 96 N N 3.106 121.793 118.700 -0.022 0.000 2.576 96 N HA 0.200 4.940 4.740 -0.000 0.000 0.269 96 N C -1.212 174.225 175.510 -0.121 0.000 1.058 96 N CA -0.286 52.735 53.050 -0.049 0.000 0.860 96 N CB 1.394 39.875 38.487 -0.010 0.000 1.249 96 N HN 0.521 nan 8.380 nan 0.000 0.525 97 T N -0.346 114.063 114.554 -0.242 0.000 2.870 97 T HA 0.321 4.671 4.350 -0.000 0.000 0.277 97 T C 1.157 175.724 174.700 -0.221 0.000 1.000 97 T CA -0.457 61.473 62.100 -0.283 0.000 0.982 97 T CB 0.922 69.491 68.868 -0.497 0.000 1.249 97 T HN 0.393 nan 8.240 nan 0.000 0.589 98 E N 0.420 120.509 120.200 -0.184 0.000 2.274 98 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 98 E C 1.853 178.390 176.600 -0.105 0.000 0.996 98 E CA 0.678 57.009 56.400 -0.115 0.000 0.840 98 E CB -0.120 29.531 29.700 -0.082 0.000 0.772 98 E HN 0.663 nan 8.360 nan 0.000 0.491 99 R N -0.335 120.061 120.500 -0.173 0.000 2.156 99 R HA 0.100 4.439 4.340 -0.000 0.000 0.207 99 R C 0.171 176.472 176.300 0.002 0.000 1.040 99 R CA 0.888 56.940 56.100 -0.080 0.000 1.013 99 R CB 0.260 30.530 30.300 -0.049 0.000 0.931 99 R HN 0.268 nan 8.270 nan 0.000 0.465 100 Y N -3.409 116.856 120.300 -0.058 0.000 2.713 100 Y HA 0.684 5.234 4.550 -0.000 0.000 0.335 100 Y C -1.907 173.936 175.900 -0.095 0.000 1.222 100 Y CA -2.238 55.806 58.100 -0.093 0.000 1.061 100 Y CB 0.757 39.145 38.460 -0.120 0.000 1.314 100 Y HN -0.164 nan 8.280 nan 0.000 0.453 101 A N 1.214 124.155 122.820 0.203 0.000 2.343 101 A HA 0.721 5.041 4.320 -0.000 0.000 0.316 101 A C -1.281 176.324 177.584 0.035 0.000 1.104 101 A CA -0.607 51.483 52.037 0.090 0.000 0.768 101 A CB 1.528 20.521 19.000 -0.012 0.000 1.213 101 A HN 0.778 nan 8.150 nan 0.000 0.456 102 E N 1.635 121.864 120.200 0.049 0.000 2.275 102 E HA 0.537 4.887 4.350 -0.000 0.000 0.270 102 E C -2.068 174.513 176.600 -0.032 0.000 0.882 102 E CA -0.469 55.886 56.400 -0.075 0.000 0.758 102 E CB 1.537 31.195 29.700 -0.071 0.000 1.195 102 E HN 0.548 nan 8.360 nan 0.000 0.419 103 F N 4.070 123.877 119.950 -0.239 0.000 2.444 103 F HA 0.500 5.027 4.527 -0.000 0.000 0.342 103 F C -0.905 174.845 175.800 -0.085 0.000 1.121 103 F CA -0.511 57.408 58.000 -0.135 0.000 0.997 103 F CB 1.061 39.979 39.000 -0.136 0.000 1.130 103 F HN 0.272 nan 8.300 nan 0.000 0.454 104 K N 3.916 123.922 120.400 -0.657 0.000 2.427 104 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 104 K C -1.582 174.705 176.600 -0.522 0.000 0.931 104 K CA -0.682 55.349 56.287 -0.427 0.000 0.793 104 K CB 1.844 34.200 32.500 -0.239 0.000 1.211 104 K HN 0.571 nan 8.250 nan 0.000 0.426 105 S N 2.910 118.445 115.700 -0.275 0.000 2.789 105 S HA 0.606 5.076 4.470 -0.000 0.000 0.286 105 S C 0.069 174.615 174.600 -0.090 0.000 1.153 105 S CA 0.492 58.586 58.200 -0.177 0.000 1.084 105 S CB 0.580 63.738 63.200 -0.070 0.000 1.036 105 S HN 1.090 nan 8.310 nan 0.000 0.484 106 G N 5.303 114.051 108.800 -0.087 0.000 2.531 106 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.274 106 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.274 106 G C 0.372 175.240 174.900 -0.054 0.000 1.159 106 G CA 0.475 45.541 45.100 -0.058 0.000 0.969 106 G HN 0.726 nan 8.290 nan 0.000 0.554 107 N N -0.065 118.614 118.700 -0.035 0.000 2.280 107 N HA 0.371 5.111 4.740 -0.000 0.000 0.192 107 N C 0.219 175.718 175.510 -0.018 0.000 1.109 107 N CA -0.146 52.887 53.050 -0.028 0.000 0.855 107 N CB 0.462 38.938 38.487 -0.017 0.000 0.974 107 N HN 0.417 nan 8.380 nan 0.000 0.482 108 L N 1.142 122.359 121.223 -0.009 0.000 2.307 108 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 108 L C -0.316 176.570 176.870 0.026 0.000 1.023 108 L CA -0.517 54.340 54.840 0.027 0.000 0.810 108 L CB 1.267 43.362 42.059 0.060 0.000 1.231 108 L HN -0.056 nan 8.230 nan 0.000 0.423 109 S N 3.643 119.366 115.700 0.038 0.000 2.569 109 S HA 0.954 5.424 4.470 -0.000 0.000 0.280 109 S C -0.862 173.746 174.600 0.015 0.000 1.111 109 S CA -0.401 57.804 58.200 0.008 0.000 0.887 109 S CB 1.640 64.786 63.200 -0.091 0.000 1.095 109 S HN 1.048 nan 8.310 nan 0.000 0.476 110 A N 1.975 124.775 122.820 -0.033 0.000 2.288 110 A HA 0.820 5.140 4.320 -0.000 0.000 0.320 110 A C -0.138 177.167 177.584 -0.465 0.000 1.217 110 A CA -0.795 51.056 52.037 -0.311 0.000 0.840 110 A CB 0.822 19.730 19.000 -0.154 0.000 1.179 110 A HN 0.875 nan 8.150 nan 0.000 0.504 111 R N 2.429 122.610 120.500 -0.533 0.000 2.561 111 R HA 0.626 4.966 4.340 -0.000 0.000 0.297 111 R C -1.867 174.137 176.300 -0.493 0.000 0.969 111 R CA -0.362 55.450 56.100 -0.479 0.000 0.879 111 R CB 1.840 31.858 30.300 -0.471 0.000 1.178 111 R HN 0.491 nan 8.270 nan 0.000 0.445 112 V N 2.702 122.355 119.914 -0.435 0.000 2.459 112 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 112 V C 0.008 175.906 176.094 -0.328 0.000 1.029 112 V CA -0.649 61.361 62.300 -0.484 0.000 0.874 112 V CB 1.686 33.245 31.823 -0.440 0.000 0.985 112 V HN 0.796 nan 8.190 nan 0.000 0.438 113 S N 4.823 120.284 115.700 -0.398 0.000 2.513 113 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 113 S C -0.109 174.437 174.600 -0.090 0.000 1.254 113 S CA -0.604 57.495 58.200 -0.168 0.000 1.053 113 S CB 0.351 63.467 63.200 -0.140 0.000 0.958 113 S HN 0.687 nan 8.310 nan 0.000 0.491 114 K N 2.553 122.965 120.400 0.021 0.000 2.109 114 K HA 0.698 5.018 4.320 -0.000 0.000 0.243 114 K C 0.827 177.477 176.600 0.084 0.000 1.006 114 K CA -0.142 56.185 56.287 0.067 0.000 0.917 114 K CB 0.767 33.294 32.500 0.046 0.000 1.081 114 K HN 0.986 nan 8.250 nan 0.000 0.468 115 G N 0.794 109.645 108.800 0.085 0.000 2.568 115 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.222 115 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.222 115 G C 0.495 175.395 174.900 -0.001 0.000 1.321 115 G CA 0.047 45.172 45.100 0.042 0.000 0.893 115 G HN 0.701 nan 8.290 nan 0.000 0.569 116 E N -0.533 119.569 120.200 -0.165 0.000 2.160 116 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 116 E C 0.449 176.778 176.600 -0.451 0.000 0.991 116 E CA 1.348 57.503 56.400 -0.408 0.000 0.810 116 E CB -0.052 29.174 29.700 -0.789 0.000 0.742 116 E HN 0.285 nan 8.360 nan 0.000 0.466 117 F N 0.790 120.802 119.950 0.104 0.000 2.291 117 F HA 0.164 4.691 4.527 -0.000 0.000 0.368 117 F C 0.202 176.073 175.800 0.119 0.000 1.085 117 F CA -1.116 56.947 58.000 0.104 0.000 1.165 117 F CB 0.154 39.187 39.000 0.054 0.000 1.429 117 F HN 0.050 nan 8.300 nan 0.000 0.503 118 W N 3.405 124.790 121.300 0.142 0.000 2.170 118 W HA 0.401 5.060 4.660 -0.000 0.000 0.342 118 W C -0.563 176.001 176.519 0.075 0.000 1.294 118 W CA 0.225 57.624 57.345 0.089 0.000 1.246 118 W CB 1.338 30.832 29.460 0.057 0.000 1.156 118 W HN 0.446 nan 8.180 nan 0.000 0.572 119 S N 6.007 121.140 115.700 -0.944 0.000 2.583 119 S HA 0.369 4.839 4.470 -0.000 0.000 0.294 119 S C -2.157 171.978 174.600 -0.775 0.000 1.121 119 S CA -0.825 57.010 58.200 -0.608 0.000 0.910 119 S CB 0.688 63.733 63.200 -0.259 0.000 1.102 119 S HN 0.499 nan 8.310 nan 0.000 0.451 120 L N 4.715 125.666 121.223 -0.454 0.000 2.318 120 L HA 0.704 5.044 4.340 -0.000 0.000 0.277 120 L C -1.312 175.353 176.870 -0.341 0.000 1.008 120 L CA 0.044 54.658 54.840 -0.376 0.000 0.846 120 L CB 1.080 43.096 42.059 -0.073 0.000 1.220 120 L HN 0.661 nan 8.230 nan 0.000 0.423 121 D N 4.801 124.923 120.400 -0.463 0.000 2.350 121 D HA 0.366 5.005 4.640 -0.000 0.000 0.245 121 D C -1.095 174.867 176.300 -0.563 0.000 1.036 121 D CA 0.100 53.872 54.000 -0.380 0.000 0.848 121 D CB 1.770 42.414 40.800 -0.260 0.000 1.307 121 D HN 0.266 nan 8.370 nan 0.000 0.469 122 F N 1.757 121.661 119.950 -0.077 0.000 2.402 122 F HA 0.286 4.813 4.527 -0.000 0.000 0.355 122 F C -0.075 175.658 175.800 -0.111 0.000 1.123 122 F CA -0.847 57.108 58.000 -0.076 0.000 1.021 122 F CB 1.036 39.995 39.000 -0.070 0.000 1.160 122 F HN -0.059 nan 8.300 nan 0.000 0.451 123 L N 3.104 124.336 121.223 0.016 0.000 2.330 123 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 123 L C -0.179 176.688 176.870 -0.005 0.000 1.013 123 L CA -0.975 53.849 54.840 -0.026 0.000 0.816 123 L CB 1.720 43.725 42.059 -0.089 0.000 1.287 123 L HN 0.601 nan 8.230 nan 0.000 0.435 124 R N 1.894 122.387 120.500 -0.012 0.000 2.337 124 R HA 0.236 4.576 4.340 -0.000 0.000 0.319 124 R C 0.232 176.521 176.300 -0.018 0.000 0.954 124 R CA -0.199 55.898 56.100 -0.004 0.000 0.840 124 R CB 0.269 30.576 30.300 0.012 0.000 1.164 124 R HN 0.847 nan 8.270 nan 0.000 0.472 125 N N 3.292 121.976 118.700 -0.026 0.000 2.714 125 N HA -0.264 4.476 4.740 -0.000 0.000 0.252 125 N C 0.482 175.969 175.510 -0.039 0.000 1.014 125 N CA 0.879 53.910 53.050 -0.032 0.000 0.735 125 N CB -0.493 37.981 38.487 -0.022 0.000 0.924 125 N HN 1.115 nan 8.380 nan 0.000 0.540 126 G N -1.036 107.730 108.800 -0.055 0.000 2.225 126 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 126 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 126 G C -0.289 174.572 174.900 -0.065 0.000 0.988 126 G CA 0.536 45.594 45.100 -0.070 0.000 0.625 126 G HN 0.507 nan 8.290 nan 0.000 0.527 127 E N 0.735 120.908 120.200 -0.045 0.000 2.197 127 E HA 0.367 4.717 4.350 -0.000 0.000 0.281 127 E C 0.493 177.071 176.600 -0.036 0.000 0.995 127 E CA -0.758 55.621 56.400 -0.036 0.000 0.808 127 E CB 1.407 31.096 29.700 -0.017 0.000 1.093 127 E HN 0.447 nan 8.360 nan 0.000 0.394 128 R N 3.287 123.763 120.500 -0.041 0.000 2.449 128 R HA 0.070 4.410 4.340 -0.000 0.000 0.296 128 R C 1.172 177.460 176.300 -0.019 0.000 1.047 128 R CA 0.205 56.282 56.100 -0.037 0.000 1.018 128 R CB 0.131 30.404 30.300 -0.044 0.000 0.962 128 R HN 0.609 nan 8.270 nan 0.000 0.428 129 I N -0.618 119.931 120.570 -0.037 0.000 4.032 129 I HA 0.314 4.484 4.170 -0.000 0.000 0.313 129 I C 0.530 176.563 176.117 -0.140 0.000 1.272 129 I CA -0.316 60.942 61.300 -0.070 0.000 1.307 129 I CB 0.924 38.849 38.000 -0.126 0.000 1.155 129 I HN 0.508 nan 8.210 nan 0.000 0.431 130 T N -0.699 113.788 114.554 -0.111 0.000 2.663 130 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 130 T C -1.173 173.623 174.700 0.161 0.000 1.660 130 T CA 0.076 62.158 62.100 -0.030 0.000 0.976 130 T CB 1.454 70.195 68.868 -0.212 0.000 1.705 130 T HN 0.608 nan 8.240 nan 0.000 0.494 131 G N 0.440 109.375 108.800 0.225 0.000 2.322 131 G HA2 0.497 4.457 3.960 -0.000 0.000 0.295 131 G HA3 0.497 4.457 3.960 -0.000 0.000 0.295 131 G C -1.510 173.516 174.900 0.209 0.000 1.369 131 G CA 0.263 45.527 45.100 0.272 0.000 0.821 131 G HN 0.953 nan 8.290 nan 0.000 0.536 132 S N -0.510 115.297 115.700 0.178 0.000 2.596 132 S HA 0.568 5.038 4.470 -0.000 0.000 0.318 132 S C -0.072 174.605 174.600 0.128 0.000 1.097 132 S CA -0.401 57.889 58.200 0.151 0.000 1.080 132 S CB 1.024 64.349 63.200 0.208 0.000 0.991 132 S HN 0.558 nan 8.310 nan 0.000 0.471 133 Q N 1.912 121.771 119.800 0.099 0.000 2.317 133 Q HA 0.356 4.696 4.340 -0.000 0.000 0.229 133 Q C -0.074 176.031 176.000 0.174 0.000 0.984 133 Q CA -0.595 55.273 55.803 0.108 0.000 0.911 133 Q CB 1.208 29.978 28.738 0.053 0.000 1.217 133 Q HN 0.606 nan 8.270 nan 0.000 0.501 134 V N 2.684 122.742 119.914 0.240 0.000 2.644 134 V HA -0.148 3.972 4.120 -0.000 0.000 0.305 134 V C 0.185 176.252 176.094 -0.044 0.000 1.053 134 V CA 1.247 63.683 62.300 0.226 0.000 1.186 134 V CB -0.378 31.595 31.823 0.249 0.000 0.895 134 V HN 0.830 nan 8.190 nan 0.000 0.490 135 K N 3.473 123.731 120.400 -0.238 0.000 3.391 135 K HA -0.156 4.164 4.320 -0.000 0.000 0.307 135 K C 0.520 176.961 176.600 -0.266 0.000 1.304 135 K CA 1.063 56.969 56.287 -0.634 0.000 0.904 135 K CB -1.331 30.783 32.500 -0.644 0.000 1.293 135 K HN 0.836 nan 8.250 nan 0.000 0.470 136 N N 1.103 119.765 118.700 -0.063 0.000 2.214 136 N HA 0.016 4.756 4.740 -0.000 0.000 0.214 136 N C -0.388 175.037 175.510 -0.141 0.000 1.132 136 N CA 0.289 53.373 53.050 0.057 0.000 0.856 136 N CB 0.341 38.850 38.487 0.036 0.000 1.020 136 N HN 0.461 nan 8.380 nan 0.000 0.509 137 N N -0.759 117.685 118.700 -0.426 0.000 2.732 137 N HA 0.716 5.456 4.740 -0.000 0.000 0.259 137 N C 0.045 174.951 175.510 -1.007 0.000 1.402 137 N CA -0.566 51.867 53.050 -1.028 0.000 0.829 137 N CB 1.575 39.771 38.487 -0.485 0.000 1.495 137 N HN -0.033 nan 8.380 nan 0.000 0.511 138 G N -1.645 106.525 108.800 -1.050 0.000 2.339 138 G HA2 0.197 4.157 3.960 -0.000 0.000 0.275 138 G HA3 0.197 4.157 3.960 -0.000 0.000 0.275 138 G C -2.416 172.524 174.900 0.066 0.000 1.323 138 G CA -0.872 43.936 45.100 -0.487 0.000 0.927 138 G HN 0.697 nan 8.290 nan 0.000 0.486 139 Y N 0.065 120.449 120.300 0.139 0.000 2.377 139 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 139 Y C -0.269 175.661 175.900 0.051 0.000 1.011 139 Y CA -1.045 57.101 58.100 0.076 0.000 1.093 139 Y CB 2.177 40.533 38.460 -0.173 0.000 1.201 139 Y HN 0.485 nan 8.280 nan 0.000 0.455 140 V N 6.694 126.442 119.914 -0.276 0.000 2.378 140 V HA 0.284 4.404 4.120 -0.000 0.000 0.288 140 V C -0.656 175.128 176.094 -0.516 0.000 1.016 140 V CA -0.834 61.298 62.300 -0.280 0.000 0.840 140 V CB 1.406 33.167 31.823 -0.103 0.000 0.994 140 V HN 0.751 nan 8.190 nan 0.000 0.431 141 Q N 3.649 123.191 119.800 -0.431 0.000 2.398 141 Q HA 0.237 4.576 4.340 -0.000 0.000 0.251 141 Q C -0.775 175.133 176.000 -0.154 0.000 0.999 141 Q CA -0.508 55.086 55.803 -0.347 0.000 0.874 141 Q CB 0.946 29.543 28.738 -0.235 0.000 1.215 141 Q HN 0.758 nan 8.270 nan 0.000 0.470 142 D N 3.325 123.675 120.400 -0.083 0.000 2.380 142 D HA 0.025 4.664 4.640 -0.000 0.000 0.230 142 D C 0.855 177.139 176.300 -0.026 0.000 1.154 142 D CA -0.091 53.898 54.000 -0.019 0.000 0.859 142 D CB 1.351 42.210 40.800 0.099 0.000 1.045 142 D HN 0.695 nan 8.370 nan 0.000 0.495 143 T N 0.889 115.423 114.554 -0.033 0.000 3.118 143 T HA -0.024 4.325 4.350 -0.000 0.000 0.260 143 T C 1.172 175.863 174.700 -0.016 0.000 1.139 143 T CA 0.245 62.332 62.100 -0.023 0.000 1.085 143 T CB 0.108 68.963 68.868 -0.023 0.000 0.934 143 T HN 0.196 nan 8.240 nan 0.000 0.518 144 N N 3.037 121.727 118.700 -0.015 0.000 2.207 144 N HA -0.039 4.700 4.740 -0.000 0.000 0.182 144 N C 1.335 176.842 175.510 -0.005 0.000 1.020 144 N CA 1.490 54.532 53.050 -0.012 0.000 0.858 144 N CB -0.244 38.231 38.487 -0.019 0.000 0.991 144 N HN 0.728 nan 8.380 nan 0.000 0.427 145 N N 0.277 118.979 118.700 0.003 0.000 2.187 145 N HA 0.024 4.764 4.740 -0.000 0.000 0.212 145 N C -0.363 175.145 175.510 -0.003 0.000 1.152 145 N CA 0.073 53.127 53.050 0.006 0.000 0.872 145 N CB 0.240 38.740 38.487 0.021 0.000 1.025 145 N HN -0.190 nan 8.380 nan 0.000 0.514 146 Q N -0.700 119.095 119.800 -0.009 0.000 2.480 146 Q HA -0.220 4.120 4.340 -0.000 0.000 0.265 146 Q C -0.775 175.196 176.000 -0.048 0.000 1.072 146 Q CA 0.917 56.708 55.803 -0.020 0.000 1.018 146 Q CB -2.041 26.692 28.738 -0.008 0.000 1.433 146 Q HN 0.663 nan 8.270 nan 0.000 0.513 147 R N 0.468 120.924 120.500 -0.074 0.000 2.720 147 R HA 0.560 4.900 4.340 -0.000 0.000 0.272 147 R C 0.151 176.256 176.300 -0.325 0.000 0.991 147 R CA -0.786 55.192 56.100 -0.204 0.000 1.010 147 R CB 0.916 31.068 30.300 -0.247 0.000 1.141 147 R HN 0.024 nan 8.270 nan 0.000 0.494 148 N N 1.129 119.534 118.700 -0.491 0.000 2.284 148 N HA 0.345 5.085 4.740 -0.000 0.000 0.300 148 N C -1.288 173.817 175.510 -0.675 0.000 1.047 148 N CA -0.369 52.372 53.050 -0.515 0.000 0.821 148 N CB 1.746 40.066 38.487 -0.279 0.000 1.337 148 N HN 0.387 nan 8.380 nan 0.000 0.482 152 E N 1.048 120.928 120.200 -0.534 0.000 2.366 152 E HA 0.619 4.969 4.350 -0.000 0.000 0.278 152 E C -1.879 174.310 176.600 -0.686 0.000 0.923 152 E CA -0.712 55.248 56.400 -0.734 0.000 0.761 152 E CB 2.123 31.291 29.700 -0.887 0.000 1.231 152 E HN 0.733 nan 8.360 nan 0.000 0.443 153 R N 3.697 123.985 120.500 -0.352 0.000 2.422 153 R HA 0.446 4.786 4.340 -0.000 0.000 0.307 153 R C -0.687 175.560 176.300 -0.088 0.000 1.004 153 R CA -0.639 55.351 56.100 -0.184 0.000 0.882 153 R CB 0.939 31.224 30.300 -0.025 0.000 1.164 153 R HN 0.442 nan 8.270 nan 0.000 0.489 154 L N 3.098 124.304 121.223 -0.028 0.000 2.275 154 L HA 0.280 4.620 4.340 -0.000 0.000 0.288 154 L C -0.021 176.925 176.870 0.128 0.000 1.046 154 L CA -0.850 54.056 54.840 0.110 0.000 0.805 154 L CB 1.100 43.295 42.059 0.227 0.000 1.193 154 L HN 0.379 nan 8.230 nan 0.000 0.426 155 D N 2.763 123.234 120.400 0.117 0.000 2.449 155 D HA 0.272 4.912 4.640 -0.000 0.000 0.236 155 D C -0.413 175.967 176.300 0.133 0.000 1.149 155 D CA 0.183 54.240 54.000 0.096 0.000 0.878 155 D CB 0.917 41.761 40.800 0.074 0.000 1.198 155 D HN 0.004 nan 8.370 nan 0.000 0.446 156 L N 1.275 122.551 121.223 0.089 0.000 2.365 156 L HA 0.530 4.870 4.340 -0.000 0.000 0.273 156 L C 0.899 177.808 176.870 0.065 0.000 1.000 156 L CA -0.532 54.363 54.840 0.091 0.000 0.819 156 L CB 1.646 43.724 42.059 0.031 0.000 1.284 156 L HN 0.423 nan 8.230 nan 0.000 0.418 157 G N 2.006 110.852 108.800 0.078 0.000 2.543 157 G HA2 0.466 4.426 3.960 -0.000 0.000 0.290 157 G HA3 0.466 4.426 3.960 -0.000 0.000 0.290 157 G C -0.677 174.243 174.900 0.033 0.000 1.310 157 G CA -0.598 44.534 45.100 0.053 0.000 1.025 157 G HN 0.334 nan 8.290 nan 0.000 0.502 158 V N 0.874 120.804 119.914 0.026 0.000 2.493 158 V HA 0.388 4.508 4.120 -0.000 0.000 0.292 158 V C 1.595 177.703 176.094 0.023 0.000 1.016 158 V CA 1.699 64.010 62.300 0.019 0.000 1.097 158 V CB 0.232 32.064 31.823 0.015 0.000 0.947 158 V HN 1.764 nan 8.190 nan 0.000 0.479 159 G N 3.793 112.606 108.800 0.022 0.000 2.179 159 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 159 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 159 G C 0.216 175.121 174.900 0.007 0.000 0.977 159 G CA 0.362 45.478 45.100 0.027 0.000 0.641 159 G HN 0.813 nan 8.290 nan 0.000 0.533 160 E N 1.754 121.956 120.200 0.003 0.000 2.257 160 E HA 0.482 4.832 4.350 -0.000 0.000 0.278 160 E C 0.781 177.335 176.600 -0.077 0.000 1.049 160 E CA 0.325 56.718 56.400 -0.011 0.000 0.876 160 E CB 0.294 30.013 29.700 0.031 0.000 1.035 160 E HN 0.405 nan 8.360 nan 0.000 0.419 161 T N 0.508 114.981 114.554 -0.135 0.000 2.925 161 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 161 T C -0.204 174.250 174.700 -0.410 0.000 1.021 161 T CA -0.947 60.959 62.100 -0.323 0.000 1.042 161 T CB 1.575 70.137 68.868 -0.510 0.000 1.037 161 T HN 0.151 nan 8.240 nan 0.000 0.481 162 V N 2.531 122.102 119.914 -0.572 0.000 2.513 162 V HA 0.567 4.687 4.120 -0.000 0.000 0.299 162 V C -1.154 174.515 176.094 -0.708 0.000 1.035 162 V CA -0.809 61.196 62.300 -0.492 0.000 0.889 162 V CB 0.680 32.249 31.823 -0.423 0.000 0.988 162 V HN 0.933 nan 8.190 nan 0.000 0.440 163 Y N 1.527 121.689 120.300 -0.230 0.000 2.605 163 Y HA 0.868 5.418 4.550 -0.000 0.000 0.343 163 Y C 0.846 176.597 175.900 -0.249 0.000 1.036 163 Y CA 0.258 58.222 58.100 -0.226 0.000 1.065 163 Y CB 2.207 40.544 38.460 -0.205 0.000 1.288 163 Y HN 0.965 nan 8.280 nan 0.000 0.481 164 G N 0.113 108.876 108.800 -0.062 0.000 2.601 164 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.224 164 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.224 164 G C -0.594 174.196 174.900 -0.183 0.000 1.171 164 G CA -0.355 44.667 45.100 -0.130 0.000 1.009 164 G HN 1.156 nan 8.290 nan 0.000 0.589 165 L N 0.297 121.401 121.223 -0.198 0.000 4.089 165 L HA 0.139 4.479 4.340 -0.000 0.000 0.408 165 L C 1.780 178.568 176.870 -0.138 0.000 1.184 165 L CA 2.935 57.637 54.840 -0.231 0.000 0.947 165 L CB -1.712 40.130 42.059 -0.362 0.000 2.066 165 L HN 2.981 nan 8.230 nan 0.000 0.851 166 G N -0.855 107.881 108.800 -0.107 0.000 2.526 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.250 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.250 166 G C -0.271 174.477 174.900 -0.253 0.000 1.289 166 G CA -0.049 44.966 45.100 -0.141 0.000 0.947 166 G HN 0.512 nan 8.290 nan 0.000 0.517 167 E N 0.981 120.994 120.200 -0.312 0.000 1.963 167 E HA 0.437 4.787 4.350 -0.000 0.000 0.274 167 E C 0.491 176.754 176.600 -0.561 0.000 1.061 167 E CA -0.380 55.756 56.400 -0.440 0.000 0.847 167 E CB 0.013 29.496 29.700 -0.362 0.000 1.083 167 E HN 0.482 nan 8.360 nan 0.000 0.402 168 R N 3.319 123.460 120.500 -0.597 0.000 2.778 168 R HA 0.335 4.675 4.340 -0.000 0.000 0.277 168 R C -0.169 175.699 176.300 -0.721 0.000 0.977 168 R CA -0.675 55.091 56.100 -0.557 0.000 0.950 168 R CB 0.869 31.015 30.300 -0.258 0.000 1.165 168 R HN 0.464 nan 8.270 nan 0.000 0.474 169 F N -0.723 119.195 119.950 -0.054 0.000 2.653 169 F HA 0.151 4.678 4.527 -0.000 0.000 0.304 169 F C 1.397 177.169 175.800 -0.046 0.000 1.092 169 F CA -0.258 57.716 58.000 -0.043 0.000 1.279 169 F CB 0.699 39.692 39.000 -0.011 0.000 1.044 169 F HN 0.429 nan 8.300 nan 0.000 0.564 170 T N 0.430 115.010 114.554 0.044 0.000 2.771 170 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 170 T C 0.592 175.274 174.700 -0.030 0.000 1.005 170 T CA -0.410 61.696 62.100 0.011 0.000 0.944 170 T CB 0.594 69.455 68.868 -0.013 0.000 1.147 170 T HN 0.165 nan 8.240 nan 0.000 0.534 171 A N 1.503 124.301 122.820 -0.037 0.000 2.565 171 A HA 0.165 4.485 4.320 -0.000 0.000 0.237 171 A C 1.446 178.990 177.584 -0.067 0.000 1.053 171 A CA -0.152 51.860 52.037 -0.043 0.000 0.755 171 A CB -0.438 18.540 19.000 -0.037 0.000 0.980 171 A HN 0.915 nan 8.150 nan 0.000 0.506 172 L N 4.078 125.270 121.223 -0.051 0.000 1.997 172 L HA -0.116 4.223 4.340 -0.000 0.000 0.216 172 L C 1.068 177.859 176.870 -0.130 0.000 1.074 172 L CA 1.975 56.780 54.840 -0.057 0.000 0.763 172 L CB -0.431 41.633 42.059 0.009 0.000 0.890 172 L HN 0.483 nan 8.230 nan 0.000 0.434 173 V N 1.733 121.543 119.914 -0.173 0.000 2.508 173 V HA 0.084 4.204 4.120 -0.000 0.000 0.281 173 V C 1.352 177.278 176.094 -0.279 0.000 1.041 173 V CA -0.392 61.665 62.300 -0.404 0.000 1.016 173 V CB 0.951 32.551 31.823 -0.370 0.000 0.984 173 V HN 0.356 nan 8.190 nan 0.000 0.478 174 R N 2.547 122.837 120.500 -0.350 0.000 2.235 174 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 174 R C 0.428 176.604 176.300 -0.206 0.000 1.059 174 R CA 0.039 55.985 56.100 -0.257 0.000 0.997 174 R CB -0.690 29.431 30.300 -0.297 0.000 0.884 174 R HN 0.674 nan 8.270 nan 0.000 0.462 175 N N 0.723 119.296 118.700 -0.213 0.000 2.294 175 N HA 0.071 4.811 4.740 -0.000 0.000 0.263 175 N C 1.151 176.602 175.510 -0.099 0.000 1.281 175 N CA 1.560 54.523 53.050 -0.146 0.000 0.846 175 N CB 0.162 38.581 38.487 -0.114 0.000 1.061 175 N HN 0.374 nan 8.380 nan 0.000 0.478 176 G N 0.754 109.503 108.800 -0.086 0.000 2.213 176 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 176 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 176 G C -0.069 174.793 174.900 -0.063 0.000 0.991 176 G CA -0.224 44.836 45.100 -0.067 0.000 0.629 176 G HN 0.578 nan 8.290 nan 0.000 0.517 177 Q N 0.365 120.121 119.800 -0.074 0.000 2.215 177 Q HA 0.644 4.984 4.340 -0.000 0.000 0.256 177 Q C -0.601 175.375 176.000 -0.040 0.000 0.972 177 Q CA -0.299 55.468 55.803 -0.060 0.000 0.889 177 Q CB 1.593 30.287 28.738 -0.074 0.000 1.281 177 Q HN 0.158 nan 8.270 nan 0.000 0.456 178 T N 1.103 115.646 114.554 -0.019 0.000 2.794 178 T HA 0.484 4.834 4.350 -0.000 0.000 0.280 178 T C -0.831 173.887 174.700 0.030 0.000 0.987 178 T CA -0.491 61.617 62.100 0.012 0.000 0.993 178 T CB 0.913 69.782 68.868 0.002 0.000 0.939 178 T HN 0.222 nan 8.240 nan 0.000 0.449 179 V N 3.885 123.850 119.914 0.086 0.000 2.531 179 V HA 0.404 4.524 4.120 -0.000 0.000 0.301 179 V C -0.584 175.637 176.094 0.211 0.000 1.034 179 V CA -0.906 61.452 62.300 0.096 0.000 0.865 179 V CB 2.029 33.845 31.823 -0.012 0.000 0.995 179 V HN 0.778 nan 8.190 nan 0.000 0.424 180 E N 2.517 122.823 120.200 0.176 0.000 2.113 180 E HA 0.291 4.641 4.350 -0.000 0.000 0.273 180 E C 0.054 176.827 176.600 0.288 0.000 0.924 180 E CA -0.414 56.117 56.400 0.218 0.000 0.764 180 E CB 1.795 31.575 29.700 0.133 0.000 1.104 180 E HN 0.770 nan 8.360 nan 0.000 0.406 181 T N 0.938 115.718 114.554 0.376 0.000 3.455 181 T HA 0.236 4.586 4.350 -0.000 0.000 0.286 181 T C -0.233 174.779 174.700 0.519 0.000 1.157 181 T CA -0.711 61.626 62.100 0.395 0.000 1.090 181 T CB -0.245 68.883 68.868 0.434 0.000 1.112 181 T HN 0.416 nan 8.240 nan 0.000 0.779 182 W N 4.055 125.483 121.300 0.214 0.000 2.802 182 W HA 0.296 4.956 4.660 -0.000 0.000 0.331 182 W C -1.348 175.360 176.519 0.316 0.000 1.021 182 W CA -1.015 56.478 57.345 0.247 0.000 1.259 182 W CB 1.319 30.839 29.460 0.101 0.000 1.323 182 W HN 0.351 nan 8.180 nan 0.000 0.432 183 N N 5.207 124.065 118.700 0.263 0.000 2.412 183 N HA 0.100 4.840 4.740 -0.000 0.000 0.258 183 N C -0.209 175.469 175.510 0.279 0.000 1.236 183 N CA 0.697 53.877 53.050 0.216 0.000 0.882 183 N CB 0.628 39.164 38.487 0.081 0.000 1.066 183 N HN 0.371 nan 8.380 nan 0.000 0.465 184 R N 0.301 120.949 120.500 0.246 0.000 2.836 184 R HA 0.261 4.601 4.340 -0.000 0.000 0.269 184 R C -1.170 175.225 176.300 0.159 0.000 1.010 184 R CA -0.798 55.451 56.100 0.248 0.000 0.930 184 R CB 1.450 31.902 30.300 0.253 0.000 1.218 184 R HN 0.366 nan 8.270 nan 0.000 0.473 185 D N 0.581 121.107 120.400 0.209 0.000 2.505 185 D HA 0.249 4.889 4.640 -0.000 0.000 0.242 185 D C 0.043 176.395 176.300 0.088 0.000 1.136 185 D CA -0.119 54.002 54.000 0.201 0.000 0.954 185 D CB 0.723 41.722 40.800 0.333 0.000 1.002 185 D HN 0.734 nan 8.370 nan 0.000 0.512 186 G N 1.176 109.899 108.800 -0.129 0.000 3.596 186 G HA2 0.517 4.477 3.960 -0.000 0.000 0.274 186 G HA3 0.517 4.477 3.960 -0.000 0.000 0.274 186 G C 0.794 175.636 174.900 -0.096 0.000 1.007 186 G CA 0.118 45.188 45.100 -0.052 0.000 0.825 186 G HN 0.798 nan 8.290 nan 0.000 0.508 187 G N 0.066 108.763 108.800 -0.172 0.000 2.660 187 G HA2 0.026 3.986 3.960 -0.000 0.000 0.215 187 G HA3 0.026 3.986 3.960 -0.000 0.000 0.215 187 G C 0.650 175.371 174.900 -0.298 0.000 1.345 187 G CA 0.569 45.630 45.100 -0.065 0.000 0.877 187 G HN 1.129 nan 8.290 nan 0.000 0.549 188 T N -3.205 111.126 114.554 -0.372 0.000 3.174 188 T HA 0.550 4.900 4.350 -0.000 0.000 0.269 188 T C 1.230 175.475 174.700 -0.759 0.000 1.017 188 T CA 1.124 62.599 62.100 -1.042 0.000 0.899 188 T CB 0.020 68.361 68.868 -0.878 0.000 1.077 188 T HN 1.916 nan 8.240 nan 0.000 0.552 189 S N 0.152 115.680 115.700 -0.286 0.000 2.952 189 S HA 0.359 4.828 4.470 -0.000 0.000 0.251 189 S C 0.473 175.059 174.600 -0.023 0.000 1.021 189 S CA -0.119 58.018 58.200 -0.104 0.000 1.067 189 S CB 0.090 63.254 63.200 -0.059 0.000 1.002 189 S HN 0.674 nan 8.310 nan 0.000 0.574 190 T N -1.127 113.429 114.554 0.003 0.000 2.773 190 T HA 0.498 4.847 4.350 -0.000 0.000 0.278 190 T C 0.652 175.404 174.700 0.086 0.000 1.011 190 T CA -0.269 61.854 62.100 0.037 0.000 1.014 190 T CB 1.467 70.350 68.868 0.024 0.000 1.293 190 T HN 0.040 nan 8.240 nan 0.000 0.554 191 E N 0.058 120.296 120.200 0.064 0.000 2.511 191 E HA -0.021 4.328 4.350 -0.000 0.000 0.196 191 E C 0.160 176.807 176.600 0.078 0.000 1.066 191 E CA 0.307 56.746 56.400 0.064 0.000 0.871 191 E CB -0.099 29.625 29.700 0.040 0.000 0.863 191 E HN 0.719 nan 8.360 nan 0.000 0.520 192 Q N 0.296 120.144 119.800 0.080 0.000 2.317 192 Q HA 0.592 4.932 4.340 -0.000 0.000 0.229 192 Q C -0.616 175.429 176.000 0.075 0.000 0.984 192 Q CA -0.229 55.618 55.803 0.074 0.000 0.911 192 Q CB 1.585 30.352 28.738 0.049 0.000 1.217 192 Q HN 0.253 nan 8.270 nan 0.000 0.501 193 A N 0.618 123.470 122.820 0.054 0.000 2.515 193 A HA 0.450 4.769 4.320 -0.000 0.000 0.298 193 A C -1.130 176.486 177.584 0.054 0.000 1.059 193 A CA -0.665 51.406 52.037 0.056 0.000 0.698 193 A CB 0.529 19.557 19.000 0.047 0.000 1.289 193 A HN 0.813 nan 8.150 nan 0.000 0.404 194 Y N 0.568 120.976 120.300 0.180 0.000 2.475 194 Y HA 0.126 4.676 4.550 -0.000 0.000 0.289 194 Y C 0.613 176.577 175.900 0.107 0.000 1.121 194 Y CA 0.947 59.134 58.100 0.145 0.000 1.257 194 Y CB 0.259 38.800 38.460 0.136 0.000 1.026 194 Y HN 0.494 nan 8.280 nan 0.000 0.555 195 K N 1.577 122.106 120.400 0.214 0.000 2.530 195 K HA 0.240 4.560 4.320 -0.000 0.000 0.230 195 K C -1.144 175.469 176.600 0.020 0.000 1.002 195 K CA -0.292 56.035 56.287 0.067 0.000 1.014 195 K CB 0.679 33.112 32.500 -0.111 0.000 1.286 195 K HN 0.057 nan 8.250 nan 0.000 0.480 196 N N 3.813 122.577 118.700 0.106 0.000 2.438 196 N HA 0.378 5.118 4.740 -0.000 0.000 0.282 196 N C -0.732 174.871 175.510 0.154 0.000 1.037 196 N CA -0.380 52.745 53.050 0.126 0.000 0.942 196 N CB 1.542 40.158 38.487 0.214 0.000 1.136 196 N HN 0.310 nan 8.380 nan 0.000 0.481 197 I N 3.361 124.003 120.570 0.120 0.000 2.468 197 I HA 0.239 4.409 4.170 -0.000 0.000 0.285 197 I C -2.192 174.020 176.117 0.158 0.000 1.039 197 I CA -2.170 59.225 61.300 0.158 0.000 1.074 197 I CB 1.997 40.093 38.000 0.159 0.000 1.228 197 I HN 0.224 nan 8.210 nan 0.000 0.436 198 P HA 0.147 nan 4.420 nan 0.000 0.220 198 P C -0.663 176.828 177.300 0.318 0.000 1.778 198 P CA 0.117 63.438 63.100 0.368 0.000 0.912 198 P CB -0.494 31.550 31.700 0.573 0.000 1.861 199 F N 2.969 122.899 119.950 -0.034 0.000 2.547 199 F HA 0.552 5.079 4.527 -0.000 0.000 0.316 199 F C -1.237 174.458 175.800 -0.175 0.000 1.121 199 F CA -1.313 56.601 58.000 -0.144 0.000 0.911 199 F CB 1.462 40.252 39.000 -0.349 0.000 1.179 199 F HN -0.009 nan 8.300 nan 0.000 0.443 203 N N -0.240 118.482 118.700 0.036 0.000 2.370 203 N HA 0.074 4.814 4.740 -0.000 0.000 0.198 203 N C 0.700 176.209 175.510 -0.002 0.000 1.156 203 N CA -0.312 52.750 53.050 0.020 0.000 0.839 203 N CB -0.190 38.337 38.487 0.066 0.000 0.989 203 N HN 0.404 nan 8.380 nan 0.000 0.468 204 R N 0.196 120.689 120.500 -0.011 0.000 2.466 204 R HA 0.271 4.611 4.340 -0.000 0.000 0.279 204 R C 0.631 177.002 176.300 0.117 0.000 0.976 204 R CA 0.114 56.263 56.100 0.081 0.000 1.081 204 R CB -0.653 29.766 30.300 0.198 0.000 1.215 204 R HN 0.371 nan 8.270 nan 0.000 0.546 205 G N 1.641 110.453 108.800 0.019 0.000 2.225 205 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.264 205 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.264 205 G C -0.372 174.609 174.900 0.135 0.000 1.060 205 G CA 0.859 45.989 45.100 0.049 0.000 0.833 205 G HN 0.500 nan 8.290 nan 0.000 0.498 206 Y N -2.534 117.771 120.300 0.008 0.000 2.597 206 Y HA 0.798 5.348 4.550 -0.000 0.000 0.340 206 Y C 0.281 176.156 175.900 -0.042 0.000 1.097 206 Y CA -1.251 56.848 58.100 -0.001 0.000 1.037 206 Y CB 0.846 39.303 38.460 -0.004 0.000 1.305 206 Y HN 0.657 nan 8.280 nan 0.000 0.463 207 G N 0.305 109.169 108.800 0.106 0.000 2.630 207 G HA2 0.676 4.636 3.960 -0.000 0.000 0.296 207 G HA3 0.676 4.636 3.960 -0.000 0.000 0.296 207 G C -2.136 172.725 174.900 -0.064 0.000 1.285 207 G CA -1.339 43.707 45.100 -0.091 0.000 0.958 207 G HN 0.766 nan 8.290 nan 0.000 0.479 208 V N 0.486 120.143 119.914 -0.428 0.000 2.668 208 V HA 0.460 4.580 4.120 -0.000 0.000 0.304 208 V C -1.186 174.887 176.094 -0.035 0.000 1.071 208 V CA -0.613 61.509 62.300 -0.298 0.000 0.894 208 V CB 1.641 32.994 31.823 -0.782 0.000 1.008 208 V HN 0.744 nan 8.190 nan 0.000 0.425 209 L N 6.372 127.798 121.223 0.340 0.000 2.305 209 L HA 0.717 5.057 4.340 -0.000 0.000 0.284 209 L C -0.543 176.552 176.870 0.375 0.000 1.013 209 L CA -0.091 55.038 54.840 0.480 0.000 0.819 209 L CB 1.835 44.295 42.059 0.668 0.000 1.227 209 L HN 0.444 nan 8.230 nan 0.000 0.417 210 V N 5.001 125.076 119.914 0.268 0.000 2.334 210 V HA 0.232 4.352 4.120 -0.000 0.000 0.267 210 V C 0.609 176.926 176.094 0.372 0.000 1.040 210 V CA -0.529 61.887 62.300 0.194 0.000 0.866 210 V CB 0.636 32.409 31.823 -0.083 0.000 1.019 210 V HN 0.788 nan 8.190 nan 0.000 0.468 211 N N 4.574 123.446 118.700 0.286 0.000 3.127 211 N HA -0.005 4.734 4.740 -0.000 0.000 0.317 211 N C -0.296 175.066 175.510 -0.246 0.000 1.242 211 N CA 0.306 53.493 53.050 0.229 0.000 1.203 211 N CB -0.515 38.135 38.487 0.272 0.000 1.462 211 N HN 0.680 nan 8.380 nan 0.000 0.546 212 H N -0.053 119.169 119.070 0.253 0.000 2.924 212 H HA 0.216 4.772 4.556 -0.000 0.000 0.333 212 H C -1.960 173.346 175.328 -0.037 0.000 0.979 212 H CA -1.383 54.698 56.048 0.054 0.000 1.326 212 H CB 2.179 31.991 29.762 0.084 0.000 1.600 212 H HN 0.196 nan 8.280 nan 0.000 0.520 213 P HA -0.120 nan 4.420 nan 0.000 0.222 213 P C 0.966 178.377 177.300 0.184 0.000 1.153 213 P CA 0.822 63.804 63.100 -0.195 0.000 0.798 213 P CB 0.526 31.992 31.700 -0.390 0.000 0.796 214 Q N -0.078 119.853 119.800 0.218 0.000 2.526 214 Q HA 0.001 4.341 4.340 -0.000 0.000 0.207 214 Q C 0.155 176.412 176.000 0.429 0.000 1.078 214 Q CA -0.285 55.733 55.803 0.359 0.000 1.041 214 Q CB -0.622 28.270 28.738 0.256 0.000 1.228 214 Q HN -0.006 nan 8.270 nan 0.000 0.603 215 C N 1.250 120.843 119.300 0.489 0.000 2.590 215 C HA 0.275 4.735 4.460 -0.000 0.000 0.411 215 C C -0.018 175.107 174.990 0.225 0.000 1.420 215 C CA -0.269 58.974 59.018 0.375 0.000 1.643 215 C CB -1.195 26.544 27.740 -0.002 0.000 2.528 215 C HN 0.455 nan 8.230 nan 0.000 0.606 216 V N 6.987 127.062 119.914 0.268 0.000 2.417 216 V HA 0.409 4.528 4.120 -0.000 0.000 0.291 216 V C 0.236 176.409 176.094 0.131 0.000 1.024 216 V CA -0.142 62.243 62.300 0.141 0.000 0.861 216 V CB 1.817 33.733 31.823 0.155 0.000 0.985 216 V HN 0.914 nan 8.190 nan 0.000 0.436 217 S N 5.124 120.821 115.700 -0.006 0.000 2.423 217 S HA 0.647 5.117 4.470 -0.000 0.000 0.317 217 S C -0.848 173.744 174.600 -0.014 0.000 1.065 217 S CA -0.395 57.824 58.200 0.031 0.000 1.111 217 S CB -0.246 62.928 63.200 -0.042 0.000 0.968 217 S HN 0.385 nan 8.310 nan 0.000 0.474 218 F N 2.909 122.905 119.950 0.076 0.000 2.421 218 F HA 0.466 4.993 4.527 -0.000 0.000 0.337 218 F C 0.827 176.626 175.800 -0.001 0.000 1.105 218 F CA -0.685 57.358 58.000 0.071 0.000 1.049 218 F CB 1.316 40.343 39.000 0.045 0.000 1.139 218 F HN 0.375 nan 8.300 nan 0.000 0.479 219 E N 3.176 123.473 120.200 0.162 0.000 2.346 219 E HA 0.226 4.576 4.350 -0.000 0.000 0.239 219 E C -1.022 175.595 176.600 0.028 0.000 0.943 219 E CA -0.332 56.096 56.400 0.046 0.000 0.751 219 E CB 1.720 31.410 29.700 -0.016 0.000 1.241 219 E HN 0.256 nan 8.360 nan 0.000 0.423 220 V N 1.531 121.440 119.914 -0.007 0.000 2.276 220 V HA 0.239 4.359 4.120 -0.000 0.000 0.249 220 V C 1.361 177.397 176.094 -0.096 0.000 1.160 220 V CA 0.322 62.567 62.300 -0.091 0.000 1.042 220 V CB 0.058 31.771 31.823 -0.182 0.000 1.224 220 V HN 0.891 nan 8.190 nan 0.000 0.496 221 G N 4.436 113.190 108.800 -0.077 0.000 2.198 221 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.260 221 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.260 221 G C 0.737 175.600 174.900 -0.062 0.000 1.025 221 G CA 0.649 45.707 45.100 -0.070 0.000 0.769 221 G HN 1.082 nan 8.290 nan 0.000 0.507 222 S N -2.194 113.472 115.700 -0.056 0.000 2.540 222 S HA 0.434 4.904 4.470 -0.000 0.000 0.222 222 S C 1.153 175.718 174.600 -0.058 0.000 1.008 222 S CA 0.819 58.987 58.200 -0.053 0.000 0.939 222 S CB 0.767 63.940 63.200 -0.045 0.000 0.865 222 S HN 0.633 nan 8.310 nan 0.000 0.499 223 E N 0.869 121.030 120.200 -0.064 0.000 3.100 223 E HA 0.245 4.595 4.350 -0.000 0.000 0.191 223 E C -0.603 175.949 176.600 -0.080 0.000 1.097 223 E CA -0.101 56.252 56.400 -0.078 0.000 1.339 223 E CB 0.532 30.176 29.700 -0.094 0.000 1.330 223 E HN 0.007 nan 8.360 nan 0.000 0.511 224 K N 2.107 122.463 120.400 -0.074 0.000 2.292 224 K HA 0.215 4.535 4.320 -0.000 0.000 0.270 224 K C 0.753 177.318 176.600 -0.060 0.000 1.062 224 K CA -0.117 56.127 56.287 -0.072 0.000 0.916 224 K CB 1.603 34.066 32.500 -0.062 0.000 1.166 224 K HN 0.069 nan 8.250 nan 0.000 0.458 225 V N 1.676 121.554 119.914 -0.061 0.000 2.439 225 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 225 V C 1.041 177.108 176.094 -0.045 0.000 1.074 225 V CA 1.975 64.243 62.300 -0.053 0.000 1.076 225 V CB -0.089 31.704 31.823 -0.050 0.000 0.664 225 V HN 0.636 nan 8.190 nan 0.000 0.461 226 S N -0.694 114.983 115.700 -0.039 0.000 2.581 226 S HA 0.357 4.826 4.470 -0.000 0.000 0.245 226 S C -0.090 174.502 174.600 -0.014 0.000 1.115 226 S CA -0.370 57.815 58.200 -0.026 0.000 1.093 226 S CB -0.061 63.129 63.200 -0.017 0.000 0.853 226 S HN 0.552 nan 8.310 nan 0.000 0.479 227 K N 0.571 120.957 120.400 -0.023 0.000 2.508 227 K HA 0.533 4.853 4.320 -0.000 0.000 0.260 227 K C -1.327 175.258 176.600 -0.024 0.000 0.949 227 K CA -0.786 55.497 56.287 -0.008 0.000 0.834 227 K CB 2.265 34.759 32.500 -0.010 0.000 1.365 227 K HN -0.105 nan 8.250 nan 0.000 0.437 228 V N 2.553 122.464 119.914 -0.004 0.000 2.333 228 V HA 0.175 4.295 4.120 -0.000 0.000 0.274 228 V C -0.187 175.941 176.094 0.057 0.000 1.028 228 V CA -0.463 61.828 62.300 -0.016 0.000 0.851 228 V CB 1.034 32.766 31.823 -0.153 0.000 1.000 228 V HN 0.669 nan 8.190 nan 0.000 0.456 229 Q N 5.439 125.263 119.800 0.041 0.000 2.256 229 Q HA 0.666 5.006 4.340 -0.000 0.000 0.257 229 Q C -1.488 174.531 176.000 0.031 0.000 0.936 229 Q CA -0.597 55.180 55.803 -0.044 0.000 0.903 229 Q CB 1.529 30.241 28.738 -0.044 0.000 1.263 229 Q HN 0.712 nan 8.270 nan 0.000 0.440 230 F N 0.563 120.450 119.950 -0.105 0.000 2.574 230 F HA 0.696 5.222 4.527 -0.000 0.000 0.313 230 F C -1.060 174.635 175.800 -0.174 0.000 1.130 230 F CA -0.892 56.903 58.000 -0.342 0.000 0.936 230 F CB 1.454 40.013 39.000 -0.735 0.000 1.219 230 F HN 0.435 nan 8.300 nan 0.000 0.445 231 S N 2.361 118.062 115.700 0.001 0.000 2.570 231 S HA 0.916 5.385 4.470 -0.000 0.000 0.286 231 S C -1.614 173.002 174.600 0.026 0.000 1.099 231 S CA -0.841 57.384 58.200 0.042 0.000 0.913 231 S CB 1.918 65.094 63.200 -0.040 0.000 1.085 231 S HN 1.461 nan 8.310 nan 0.000 0.480 232 V N 0.718 120.673 119.914 0.069 0.000 3.012 232 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 232 V C -1.113 175.029 176.094 0.080 0.000 1.166 232 V CA -0.714 61.594 62.300 0.012 0.000 0.974 232 V CB 1.965 33.626 31.823 -0.270 0.000 1.040 232 V HN 1.140 nan 8.190 nan 0.000 0.428 233 E N 3.831 124.054 120.200 0.038 0.000 1.944 233 E HA 0.549 4.899 4.350 -0.000 0.000 0.272 233 E C -0.504 175.988 176.600 -0.180 0.000 1.195 233 E CA 0.316 56.580 56.400 -0.227 0.000 0.926 233 E CB 0.394 29.940 29.700 -0.255 0.000 1.051 233 E HN 0.787 nan 8.360 nan 0.000 0.404 234 S N 2.987 118.588 115.700 -0.166 0.000 2.615 234 S HA 0.126 4.596 4.470 -0.000 0.000 0.268 234 S C -0.206 174.405 174.600 0.018 0.000 1.146 234 S CA -0.692 57.439 58.200 -0.115 0.000 0.818 234 S CB 1.297 64.304 63.200 -0.321 0.000 1.111 234 S HN 0.505 nan 8.310 nan 0.000 0.465 235 E N 0.352 120.622 120.200 0.117 0.000 2.474 235 E HA 0.201 4.550 4.350 -0.000 0.000 0.194 235 E C -0.468 176.290 176.600 0.263 0.000 1.041 235 E CA 0.488 57.026 56.400 0.229 0.000 0.874 235 E CB 0.250 30.102 29.700 0.253 0.000 0.914 235 E HN 0.585 nan 8.360 nan 0.000 0.498 236 Y N -2.103 118.291 120.300 0.157 0.000 2.588 236 Y HA 0.636 5.186 4.550 -0.000 0.000 0.343 236 Y C -1.283 174.741 175.900 0.207 0.000 1.065 236 Y CA -1.310 56.889 58.100 0.165 0.000 1.038 236 Y CB 1.189 39.731 38.460 0.136 0.000 1.297 236 Y HN -0.248 nan 8.280 nan 0.000 0.467 237 L N 2.695 124.048 121.223 0.216 0.000 2.385 237 L HA 0.604 4.944 4.340 -0.000 0.000 0.273 237 L C -1.449 175.700 176.870 0.466 0.000 0.990 237 L CA -0.563 54.438 54.840 0.268 0.000 0.821 237 L CB 2.112 44.316 42.059 0.242 0.000 1.279 237 L HN 1.024 nan 8.230 nan 0.000 0.412 238 E N 4.014 124.575 120.200 0.602 0.000 2.263 238 E HA 0.477 4.827 4.350 -0.000 0.000 0.268 238 E C -2.045 174.629 176.600 0.123 0.000 0.884 238 E CA -0.506 56.013 56.400 0.197 0.000 0.766 238 E CB 1.903 31.686 29.700 0.139 0.000 1.196 238 E HN 0.483 nan 8.360 nan 0.000 0.416 239 Y N 1.304 121.504 120.300 -0.167 0.000 2.588 239 Y HA 0.703 5.253 4.550 -0.000 0.000 0.343 239 Y C -1.792 173.861 175.900 -0.411 0.000 1.065 239 Y CA -1.456 56.541 58.100 -0.172 0.000 1.038 239 Y CB 1.030 39.530 38.460 0.067 0.000 1.297 239 Y HN 0.247 nan 8.280 nan 0.000 0.467 240 F N 1.383 121.481 119.950 0.248 0.000 2.493 240 F HA 0.607 5.133 4.527 -0.000 0.000 0.329 240 F C -0.654 175.211 175.800 0.108 0.000 1.126 240 F CA -1.302 56.751 58.000 0.089 0.000 0.937 240 F CB 2.131 41.207 39.000 0.127 0.000 1.146 240 F HN 0.354 nan 8.300 nan 0.000 0.442 241 V N 5.256 125.266 119.914 0.160 0.000 2.385 241 V HA 0.291 4.410 4.120 -0.000 0.000 0.269 241 V C 0.164 176.316 176.094 0.096 0.000 1.043 241 V CA -0.445 61.870 62.300 0.024 0.000 0.906 241 V CB 0.817 32.459 31.823 -0.302 0.000 0.995 241 V HN 0.530 nan 8.190 nan 0.000 0.467 242 I N 4.215 124.876 120.570 0.153 0.000 2.306 242 I HA 0.295 4.464 4.170 -0.000 0.000 0.288 242 I C 0.211 176.414 176.117 0.143 0.000 1.036 242 I CA -0.365 61.020 61.300 0.141 0.000 1.221 242 I CB 1.164 39.300 38.000 0.226 0.000 1.385 242 I HN 0.529 nan 8.210 nan 0.000 0.472 243 D N 4.796 125.252 120.400 0.094 0.000 2.360 243 D HA 0.527 5.166 4.640 -0.000 0.000 0.242 243 D C 0.188 176.535 176.300 0.079 0.000 1.184 243 D CA 0.244 54.302 54.000 0.097 0.000 0.930 243 D CB 1.272 42.106 40.800 0.057 0.000 1.161 243 D HN 0.731 nan 8.370 nan 0.000 0.447 244 G N 1.850 110.695 108.800 0.076 0.000 2.802 244 G HA2 0.101 4.061 3.960 -0.000 0.000 0.273 244 G HA3 0.101 4.061 3.960 -0.000 0.000 0.273 244 G C -1.972 172.955 174.900 0.046 0.000 3.313 244 G CA -0.574 44.553 45.100 0.045 0.000 0.606 244 G HN 0.316 nan 8.290 nan 0.000 0.377 245 P HA -0.123 nan 4.420 nan 0.000 0.218 245 P C 0.805 178.117 177.300 0.021 0.000 1.147 245 P CA 1.284 64.405 63.100 0.034 0.000 0.827 245 P CB 0.398 32.109 31.700 0.017 0.000 0.778 246 T N -0.613 113.944 114.554 0.004 0.000 2.888 246 T HA 0.354 4.704 4.350 -0.000 0.000 0.284 246 T C -1.897 172.787 174.700 -0.028 0.000 1.017 246 T CA -1.827 60.262 62.100 -0.019 0.000 1.022 246 T CB 1.918 70.767 68.868 -0.033 0.000 1.013 246 T HN -0.210 nan 8.240 nan 0.000 0.465 247 P HA -0.034 nan 4.420 nan 0.000 0.215 247 P C 1.228 178.494 177.300 -0.057 0.000 1.153 247 P CA 1.196 64.252 63.100 -0.073 0.000 0.853 247 P CB 0.240 31.864 31.700 -0.128 0.000 0.788 248 K N -0.739 119.621 120.400 -0.067 0.000 2.147 248 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 248 K C 2.081 178.655 176.600 -0.042 0.000 1.049 248 K CA 1.361 57.610 56.287 -0.064 0.000 0.936 248 K CB -0.543 31.912 32.500 -0.076 0.000 0.722 248 K HN 0.038 nan 8.250 nan 0.000 0.446 249 A N 0.785 123.586 122.820 -0.031 0.000 1.898 249 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 249 A C 2.311 179.898 177.584 0.005 0.000 1.181 249 A CA 1.291 53.319 52.037 -0.016 0.000 0.620 249 A CB -0.580 18.414 19.000 -0.010 0.000 0.819 249 A HN 0.060 nan 8.150 nan 0.000 0.442 250 V N 0.245 120.174 119.914 0.025 0.000 2.287 250 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 250 V C 2.566 178.706 176.094 0.077 0.000 1.053 250 V CA 2.049 64.394 62.300 0.075 0.000 1.027 250 V CB -0.807 31.079 31.823 0.106 0.000 0.646 250 V HN 0.575 nan 8.190 nan 0.000 0.447 251 L N -0.007 121.238 121.223 0.036 0.000 2.131 251 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 251 L C 2.436 179.300 176.870 -0.010 0.000 1.092 251 L CA 1.712 56.556 54.840 0.006 0.000 0.759 251 L CB -0.676 41.363 42.059 -0.033 0.000 0.903 251 L HN 0.408 nan 8.230 nan 0.000 0.435 252 D N 0.461 120.846 120.400 -0.025 0.000 2.084 252 D HA -0.180 4.459 4.640 -0.000 0.000 0.194 252 D C 2.320 178.595 176.300 -0.043 0.000 0.990 252 D CA 1.453 55.426 54.000 -0.044 0.000 0.826 252 D CB 0.109 40.884 40.800 -0.042 0.000 0.971 252 D HN 0.155 nan 8.370 nan 0.000 0.453 253 R N -1.028 119.460 120.500 -0.019 0.000 2.066 253 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 253 R C 2.477 178.764 176.300 -0.022 0.000 1.131 253 R CA 1.131 57.214 56.100 -0.029 0.000 0.955 253 R CB -0.701 29.587 30.300 -0.020 0.000 0.851 253 R HN 0.345 nan 8.270 nan 0.000 0.432 254 Y N 2.177 122.399 120.300 -0.129 0.000 2.165 254 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 254 Y C 2.560 178.317 175.900 -0.238 0.000 1.155 254 Y CA 2.166 60.134 58.100 -0.219 0.000 1.164 254 Y CB -0.278 37.855 38.460 -0.546 0.000 0.978 254 Y HN 0.132 nan 8.280 nan 0.000 0.513 255 T N -1.587 112.813 114.554 -0.256 0.000 2.951 255 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 255 T C 1.974 176.504 174.700 -0.284 0.000 1.073 255 T CA 1.122 63.020 62.100 -0.337 0.000 1.134 255 T CB -0.440 68.301 68.868 -0.212 0.000 0.884 255 T HN 0.439 nan 8.240 nan 0.000 0.479 256 R N -0.176 120.218 120.500 -0.177 0.000 2.115 256 R HA 0.075 4.415 4.340 -0.000 0.000 0.226 256 R C 2.184 178.426 176.300 -0.096 0.000 1.100 256 R CA 0.913 56.940 56.100 -0.122 0.000 0.980 256 R CB -0.442 29.811 30.300 -0.078 0.000 0.875 256 R HN 0.543 nan 8.270 nan 0.000 0.445 257 F N 0.806 120.549 119.950 -0.345 0.000 2.128 257 F HA -0.141 4.386 4.527 -0.000 0.000 0.295 257 F C 2.013 177.542 175.800 -0.452 0.000 1.100 257 F CA 1.549 59.317 58.000 -0.387 0.000 1.260 257 F CB 0.154 38.891 39.000 -0.438 0.000 1.009 257 F HN 0.167 nan 8.300 nan 0.000 0.476 258 T N -2.447 111.673 114.554 -0.723 0.000 3.023 258 T HA 0.482 4.832 4.350 -0.000 0.000 0.253 258 T C 0.550 174.905 174.700 -0.574 0.000 1.038 258 T CA 0.333 61.935 62.100 -0.830 0.000 0.962 258 T CB 0.573 68.761 68.868 -1.132 0.000 1.018 258 T HN 0.457 nan 8.240 nan 0.000 0.521 259 G N 1.332 109.846 108.800 -0.475 0.000 2.542 259 G HA2 0.235 4.195 3.960 -0.000 0.000 0.391 259 G HA3 0.235 4.195 3.960 -0.000 0.000 0.391 259 G C -1.255 173.424 174.900 -0.369 0.000 1.551 259 G CA -1.265 43.603 45.100 -0.386 0.000 0.946 259 G HN 0.288 nan 8.290 nan 0.000 0.662 260 R N 1.559 121.893 120.500 -0.276 0.000 2.441 260 R HA 0.448 4.788 4.340 -0.000 0.000 0.284 260 R C -2.424 173.734 176.300 -0.237 0.000 1.070 260 R CA -1.774 54.194 56.100 -0.221 0.000 1.047 260 R CB 0.720 30.938 30.300 -0.137 0.000 1.016 260 R HN 0.295 nan 8.270 nan 0.000 0.477 261 P HA 0.079 nan 4.420 nan 0.000 0.271 261 P C -0.623 176.677 177.300 -0.001 0.000 1.216 261 P CA 0.098 63.135 63.100 -0.105 0.000 0.771 261 P CB 0.806 32.504 31.700 -0.004 0.000 0.864 262 A N 3.886 126.681 122.820 -0.042 0.000 2.296 262 A HA 0.326 4.646 4.320 -0.000 0.000 0.264 262 A C -0.216 177.431 177.584 0.104 0.000 1.097 262 A CA -0.483 51.579 52.037 0.042 0.000 0.811 262 A CB 0.011 19.061 19.000 0.084 0.000 1.072 262 A HN 0.602 nan 8.150 nan 0.000 0.495 263 L N 1.727 123.012 121.223 0.104 0.000 2.261 263 L HA 0.338 4.678 4.340 -0.000 0.000 0.289 263 L C -2.220 174.670 176.870 0.033 0.000 1.059 263 L CA -1.882 52.984 54.840 0.044 0.000 0.816 263 L CB 1.390 43.490 42.059 0.069 0.000 1.191 263 L HN 0.448 nan 8.230 nan 0.000 0.431 264 P HA 0.245 nan 4.420 nan 0.000 0.275 264 P C -2.527 174.899 177.300 0.211 0.000 1.228 264 P CA -1.216 61.866 63.100 -0.030 0.000 0.786 264 P CB 0.217 31.740 31.700 -0.295 0.000 0.927 265 P HA -0.021 nan 4.420 nan 0.000 0.268 265 P C 0.510 177.840 177.300 0.051 0.000 1.205 265 P CA 0.296 63.363 63.100 -0.055 0.000 0.771 265 P CB 0.381 31.811 31.700 -0.449 0.000 0.858 266 A N 5.116 128.018 122.820 0.137 0.000 1.917 266 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 266 A C 1.868 179.621 177.584 0.282 0.000 1.182 266 A CA 1.744 53.875 52.037 0.157 0.000 0.633 266 A CB -1.733 17.196 19.000 -0.117 0.000 0.819 266 A HN 0.851 nan 8.150 nan 0.000 0.448 267 W N 0.883 122.317 121.300 0.223 0.000 2.387 267 W HA -0.158 4.501 4.660 -0.000 0.000 0.272 267 W C 1.783 178.450 176.519 0.247 0.000 1.224 267 W CA 1.354 58.798 57.345 0.165 0.000 1.210 267 W CB -1.420 28.081 29.460 0.068 0.000 1.125 267 W HN 0.540 nan 8.180 nan 0.000 0.572 268 S N 0.368 115.926 115.700 -0.236 0.000 2.481 268 S HA -0.144 4.325 4.470 -0.000 0.000 0.231 268 S C 1.400 176.222 174.600 0.369 0.000 0.996 268 S CA 0.618 58.835 58.200 0.028 0.000 0.942 268 S CB -1.388 61.667 63.200 -0.240 0.000 0.768 268 S HN 0.206 nan 8.310 nan 0.000 0.520 269 F N 2.568 122.579 119.950 0.102 0.000 2.811 269 F HA 0.340 4.866 4.527 -0.000 0.000 0.301 269 F C 1.952 177.805 175.800 0.088 0.000 1.151 269 F CA -0.183 57.783 58.000 -0.056 0.000 1.412 269 F CB -0.479 38.492 39.000 -0.049 0.000 1.113 269 F HN 0.330 nan 8.300 nan 0.000 0.579 270 G N 0.182 109.167 108.800 0.308 0.000 2.489 270 G HA2 0.269 4.229 3.960 -0.000 0.000 0.271 270 G HA3 0.269 4.229 3.960 -0.000 0.000 0.271 270 G C -1.027 174.153 174.900 0.466 0.000 1.427 270 G CA -0.539 44.637 45.100 0.126 0.000 1.057 270 G HN 0.004 nan 8.290 nan 0.000 0.532 271 L N -0.065 121.564 121.223 0.676 0.000 2.260 271 L HA 0.499 4.838 4.340 -0.000 0.000 0.289 271 L C -1.029 176.155 176.870 0.524 0.000 1.057 271 L CA -1.248 53.917 54.840 0.542 0.000 0.811 271 L CB 0.270 42.579 42.059 0.418 0.000 1.184 271 L HN 0.408 nan 8.230 nan 0.000 0.429 272 W N 5.840 127.249 121.300 0.181 0.000 2.261 272 W HA 0.483 5.143 4.660 -0.000 0.000 0.323 272 W C -0.474 176.071 176.519 0.044 0.000 1.243 272 W CA -0.241 57.145 57.345 0.068 0.000 1.210 272 W CB 0.988 30.397 29.460 -0.086 0.000 1.149 272 W HN 0.377 nan 8.180 nan 0.000 0.562 273 L N 3.168 124.515 121.223 0.206 0.000 2.385 273 L HA 0.716 5.055 4.340 -0.000 0.000 0.273 273 L C -0.512 176.323 176.870 -0.059 0.000 0.990 273 L CA -0.288 54.658 54.840 0.177 0.000 0.821 273 L CB 2.065 44.324 42.059 0.332 0.000 1.279 273 L HN 0.318 nan 8.230 nan 0.000 0.412 274 T N 2.717 117.206 114.554 -0.108 0.000 2.886 274 T HA 0.501 4.851 4.350 -0.000 0.000 0.292 274 T C -0.788 173.774 174.700 -0.230 0.000 1.012 274 T CA -0.243 61.659 62.100 -0.331 0.000 0.982 274 T CB 1.245 69.876 68.868 -0.394 0.000 1.018 274 T HN 0.820 nan 8.240 nan 0.000 0.451 275 T N 2.683 117.077 114.554 -0.267 0.000 2.909 275 T HA 0.462 4.812 4.350 -0.000 0.000 0.286 275 T C 0.452 175.136 174.700 -0.027 0.000 1.002 275 T CA -0.179 61.709 62.100 -0.354 0.000 1.074 275 T CB 0.793 69.296 68.868 -0.609 0.000 0.984 275 T HN 0.789 nan 8.240 nan 0.000 0.495 276 S N 3.011 118.751 115.700 0.066 0.000 2.711 276 S HA -0.067 4.402 4.470 -0.000 0.000 0.320 276 S C 0.025 174.809 174.600 0.306 0.000 1.240 276 S CA -0.348 57.990 58.200 0.229 0.000 1.034 276 S CB -0.505 62.788 63.200 0.156 0.000 0.741 276 S HN 0.551 nan 8.310 nan 0.000 0.496 277 F N 5.834 125.914 119.950 0.216 0.000 2.549 277 F HA 0.125 4.652 4.527 -0.000 0.000 0.400 277 F C 1.661 177.588 175.800 0.212 0.000 1.011 277 F CA 1.187 59.306 58.000 0.198 0.000 1.148 277 F CB -0.872 38.224 39.000 0.159 0.000 0.993 277 F HN 0.988 nan 8.300 nan 0.000 0.540 278 T N 1.053 115.620 114.554 0.022 0.000 4.595 278 T HA -0.249 4.101 4.350 -0.000 0.000 0.311 278 T C 0.730 175.507 174.700 0.128 0.000 1.052 278 T CA 1.140 63.253 62.100 0.022 0.000 2.205 278 T CB -2.630 66.078 68.868 -0.266 0.000 1.872 278 T HN 0.727 nan 8.240 nan 0.000 0.961 279 T N 1.272 115.896 114.554 0.117 0.000 3.107 279 T HA 0.198 4.547 4.350 -0.000 0.000 0.249 279 T C 0.535 175.108 174.700 -0.211 0.000 1.096 279 T CA 0.249 62.317 62.100 -0.053 0.000 1.012 279 T CB -0.214 68.632 68.868 -0.038 0.000 0.977 279 T HN 0.765 nan 8.240 nan 0.000 0.527 280 N N 0.723 119.214 118.700 -0.348 0.000 2.469 280 N HA 0.282 5.021 4.740 -0.000 0.000 0.253 280 N C -0.141 175.238 175.510 -0.218 0.000 0.970 280 N CA -0.358 52.406 53.050 -0.477 0.000 0.940 280 N CB 1.118 39.031 38.487 -0.957 0.000 1.128 280 N HN 0.321 nan 8.380 nan 0.000 0.503 281 Y N 0.422 120.527 120.300 -0.324 0.000 2.503 281 Y HA 0.018 4.568 4.550 -0.000 0.000 0.277 281 Y C 0.382 176.042 175.900 -0.400 0.000 1.102 281 Y CA -0.313 57.595 58.100 -0.319 0.000 1.261 281 Y CB 0.516 38.862 38.460 -0.190 0.000 1.096 281 Y HN 0.568 nan 8.280 nan 0.000 0.546 282 D N -1.868 118.466 120.400 -0.110 0.000 2.713 282 D HA -0.029 4.610 4.640 -0.000 0.000 0.306 282 D C 0.142 176.572 176.300 0.217 0.000 1.299 282 D CA -0.580 53.365 54.000 -0.091 0.000 0.823 282 D CB 0.623 41.406 40.800 -0.028 0.000 1.353 282 D HN -0.055 nan 8.370 nan 0.000 0.447 283 E N -0.194 120.184 120.200 0.296 0.000 2.118 283 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 283 E C 1.888 178.569 176.600 0.135 0.000 0.992 283 E CA 1.539 58.106 56.400 0.278 0.000 0.804 283 E CB -0.220 29.591 29.700 0.186 0.000 0.741 283 E HN 0.479 nan 8.360 nan 0.000 0.458 284 A N 0.780 123.651 122.820 0.085 0.000 1.849 284 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 284 A C 2.507 180.112 177.584 0.035 0.000 1.202 284 A CA 3.135 55.197 52.037 0.042 0.000 0.629 284 A CB -1.630 17.387 19.000 0.027 0.000 0.834 284 A HN 0.558 nan 8.150 nan 0.000 0.447 285 T N -2.345 112.226 114.554 0.028 0.000 2.759 285 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 285 T C 1.675 176.397 174.700 0.037 0.000 1.042 285 T CA 1.694 63.798 62.100 0.007 0.000 1.140 285 T CB -0.919 67.908 68.868 -0.069 0.000 0.864 285 T HN 0.093 nan 8.240 nan 0.000 0.455 286 V N 2.651 122.588 119.914 0.038 0.000 2.295 286 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 286 V C 2.885 178.931 176.094 -0.081 0.000 1.049 286 V CA 1.938 64.207 62.300 -0.053 0.000 1.024 286 V CB -0.720 31.078 31.823 -0.042 0.000 0.648 286 V HN 0.554 nan 8.190 nan 0.000 0.447 287 N N -0.125 118.550 118.700 -0.042 0.000 2.188 287 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 287 N C 2.095 177.605 175.510 0.000 0.000 1.018 287 N CA 1.672 54.696 53.050 -0.045 0.000 0.858 287 N CB -0.234 38.236 38.487 -0.028 0.000 0.989 287 N HN 0.435 nan 8.380 nan 0.000 0.426 288 S N -0.188 115.531 115.700 0.033 0.000 2.469 288 S HA -0.086 4.384 4.470 -0.000 0.000 0.238 288 S C 1.525 176.183 174.600 0.096 0.000 0.998 288 S CA 0.599 58.829 58.200 0.049 0.000 0.957 288 S CB -0.183 63.046 63.200 0.047 0.000 0.764 288 S HN 0.354 nan 8.310 nan 0.000 0.514 289 F N 0.985 120.919 119.950 -0.027 0.000 2.317 289 F HA 0.366 4.893 4.527 -0.000 0.000 0.290 289 F C 1.660 177.471 175.800 0.018 0.000 1.075 289 F CA 0.472 58.482 58.000 0.015 0.000 1.380 289 F CB -0.139 38.861 39.000 0.000 0.000 1.093 289 F HN 0.151 nan 8.300 nan 0.000 0.524 290 I N 0.445 121.094 120.570 0.133 0.000 2.252 290 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 290 I C 1.764 177.858 176.117 -0.038 0.000 1.102 290 I CA 1.364 62.677 61.300 0.023 0.000 1.385 290 I CB -0.503 37.436 38.000 -0.101 0.000 1.064 290 I HN 0.113 nan 8.210 nan 0.000 0.414 291 D N 1.129 121.506 120.400 -0.039 0.000 2.144 291 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 291 D C 1.371 177.638 176.300 -0.056 0.000 0.978 291 D CA 0.864 54.836 54.000 -0.047 0.000 0.833 291 D CB -0.515 40.261 40.800 -0.039 0.000 0.961 291 D HN 0.312 nan 8.370 nan 0.000 0.470 295 E N 0.208 120.348 120.200 -0.099 0.000 2.463 295 E HA -0.067 4.283 4.350 -0.000 0.000 0.201 295 E C 0.662 177.160 176.600 -0.170 0.000 1.045 295 E CA 0.736 57.055 56.400 -0.135 0.000 0.872 295 E CB -0.106 29.494 29.700 -0.167 0.000 0.797 295 E HN 0.514 nan 8.360 nan 0.000 0.538 296 R N 0.244 120.652 120.500 -0.155 0.000 2.668 296 R HA 0.157 4.497 4.340 -0.000 0.000 0.435 296 R C -0.402 175.869 176.300 -0.048 0.000 1.059 296 R CA -0.233 55.780 56.100 -0.145 0.000 1.073 296 R CB 0.393 30.539 30.300 -0.255 0.000 1.401 296 R HN 0.002 nan 8.270 nan 0.000 0.590 297 N N 1.107 119.785 118.700 -0.037 0.000 2.721 297 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 297 N C -0.761 174.763 175.510 0.024 0.000 1.072 297 N CA 0.939 53.984 53.050 -0.009 0.000 0.710 297 N CB -0.883 37.601 38.487 -0.005 0.000 0.993 297 N HN 0.396 nan 8.380 nan 0.000 0.547 298 L N 1.069 122.313 121.223 0.036 0.000 2.288 298 L HA 0.298 4.638 4.340 -0.000 0.000 0.283 298 L C -1.792 175.096 176.870 0.030 0.000 1.072 298 L CA -1.461 53.425 54.840 0.077 0.000 0.862 298 L CB 0.561 42.702 42.059 0.137 0.000 1.245 298 L HN -0.290 nan 8.230 nan 0.000 0.432 299 P HA -0.003 nan 4.420 nan 0.000 0.262 299 P C -0.873 176.265 177.300 -0.270 0.000 1.182 299 P CA 0.163 63.208 63.100 -0.090 0.000 0.761 299 P CB 0.545 32.286 31.700 0.069 0.000 0.795 300 L N 4.719 125.679 121.223 -0.440 0.000 2.381 300 L HA 0.289 4.629 4.340 -0.000 0.000 0.274 300 L C 0.209 176.754 176.870 -0.542 0.000 0.988 300 L CA -0.358 54.264 54.840 -0.364 0.000 0.824 300 L CB 1.470 43.482 42.059 -0.079 0.000 1.263 300 L HN 0.550 nan 8.230 nan 0.000 0.410 301 H N 2.865 121.980 119.070 0.076 0.000 2.800 301 H HA 0.349 4.904 4.556 -0.000 0.000 0.257 301 H C -0.245 175.033 175.328 -0.083 0.000 0.967 301 H CA -0.046 56.021 56.048 0.031 0.000 1.192 301 H CB 1.069 30.901 29.762 0.118 0.000 1.441 301 H HN 0.226 nan 8.280 nan 0.000 0.461 302 V N 1.363 121.243 119.914 -0.057 0.000 2.577 302 V HA 0.231 4.351 4.120 -0.000 0.000 0.303 302 V C -1.447 174.538 176.094 -0.181 0.000 1.042 302 V CA -0.928 61.175 62.300 -0.329 0.000 0.872 302 V CB 2.313 33.517 31.823 -1.033 0.000 0.998 302 V HN 0.122 nan 8.190 nan 0.000 0.423 303 F N 3.865 123.640 119.950 -0.290 0.000 2.469 303 F HA 0.728 5.255 4.527 -0.000 0.000 0.332 303 F C -0.359 175.290 175.800 -0.251 0.000 1.103 303 F CA -0.527 57.332 58.000 -0.235 0.000 0.979 303 F CB 1.428 40.266 39.000 -0.270 0.000 1.137 303 F HN 0.701 nan 8.300 nan 0.000 0.463 304 H N 5.137 123.431 119.070 -1.293 0.000 2.505 304 H HA 0.444 5.000 4.556 -0.000 0.000 0.338 304 H C -1.719 172.993 175.328 -1.027 0.000 1.057 304 H CA -0.737 54.797 56.048 -0.857 0.000 1.202 304 H CB 0.800 30.262 29.762 -0.500 0.000 1.466 304 H HN 0.482 nan 8.280 nan 0.000 0.499 305 F N 4.581 123.908 119.950 -1.038 0.000 2.404 305 F HA 0.157 4.684 4.527 -0.000 0.000 0.358 305 F C 0.525 175.681 175.800 -1.073 0.000 1.120 305 F CA -0.497 57.069 58.000 -0.723 0.000 1.144 305 F CB 0.475 39.236 39.000 -0.400 0.000 1.133 305 F HN 0.722 nan 8.300 nan 0.000 0.495 306 D N 1.138 120.940 120.400 -0.996 0.000 2.376 306 D HA -0.007 4.633 4.640 -0.000 0.000 0.268 306 D C 1.316 177.156 176.300 -0.766 0.000 1.252 306 D CA -0.371 53.214 54.000 -0.692 0.000 1.041 306 D CB -0.101 40.484 40.800 -0.358 0.000 1.109 306 D HN 0.492 nan 8.370 nan 0.000 0.552 307 C N -0.818 117.946 119.300 -0.893 0.000 2.396 307 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 307 C C 2.499 176.997 174.990 -0.820 0.000 1.231 307 C CA 1.070 59.285 59.018 -1.339 0.000 1.775 307 C CB -1.868 24.635 27.740 -2.063 0.000 2.036 307 C HN 0.687 nan 8.230 nan 0.000 0.484 308 F N 2.896 122.731 119.950 -0.191 0.000 2.271 308 F HA -0.093 4.434 4.527 -0.000 0.000 0.302 308 F C 1.393 177.323 175.800 0.216 0.000 1.063 308 F CA -0.176 57.850 58.000 0.043 0.000 1.362 308 F CB -1.990 37.083 39.000 0.122 0.000 1.060 308 F HN 0.608 nan 8.300 nan 0.000 0.521 312 A N 1.547 124.198 122.820 -0.281 0.000 2.520 312 A HA 0.367 4.686 4.320 -0.000 0.000 0.235 312 A C 0.187 177.314 177.584 -0.762 0.000 1.065 312 A CA 0.707 52.249 52.037 -0.826 0.000 0.764 312 A CB -0.690 17.761 19.000 -0.915 0.000 1.002 312 A HN 0.765 nan 8.150 nan 0.000 0.502 313 F N -1.698 117.689 119.950 -0.937 0.000 2.825 313 F HA -0.256 4.271 4.527 -0.000 0.000 0.358 313 F C 1.235 176.776 175.800 -0.432 0.000 0.639 313 F CA 1.831 59.443 58.000 -0.646 0.000 1.153 313 F CB -1.981 36.760 39.000 -0.432 0.000 1.610 313 F HN 0.838 nan 8.300 nan 0.000 0.305 314 Q N -1.896 117.751 119.800 -0.256 0.000 2.215 314 Q HA 0.188 4.528 4.340 -0.000 0.000 0.337 314 Q C -0.668 175.393 176.000 0.102 0.000 0.887 314 Q CA -0.575 55.206 55.803 -0.037 0.000 1.134 314 Q CB 0.127 28.869 28.738 0.008 0.000 1.303 314 Q HN 0.248 nan 8.270 nan 0.000 0.421 315 W N 0.706 121.980 121.300 -0.044 0.000 2.469 315 W HA 0.217 4.876 4.660 -0.000 0.000 0.321 315 W C 0.384 176.984 176.519 0.135 0.000 1.415 315 W CA -0.584 56.766 57.345 0.009 0.000 1.308 315 W CB 0.272 29.751 29.460 0.032 0.000 1.368 315 W HN 0.517 nan 8.180 nan 0.000 0.546 316 C N 4.664 124.090 119.300 0.210 0.000 4.665 316 C HA -0.230 4.230 4.460 -0.000 0.000 0.316 316 C C 0.909 175.887 174.990 -0.021 0.000 1.151 316 C CA 0.574 59.532 59.018 -0.101 0.000 2.392 316 C CB -2.193 25.557 27.740 0.017 0.000 1.191 316 C HN 0.716 nan 8.230 nan 0.000 0.721 317 D N -1.031 119.400 120.400 0.052 0.000 2.469 317 D HA 0.238 4.878 4.640 -0.000 0.000 0.215 317 D C 0.831 177.384 176.300 0.422 0.000 1.154 317 D CA -0.220 54.009 54.000 0.381 0.000 0.832 317 D CB -0.406 40.589 40.800 0.324 0.000 1.008 317 D HN 0.545 nan 8.370 nan 0.000 0.506 318 F N 0.591 120.632 119.950 0.153 0.000 3.069 318 F HA -0.236 4.291 4.527 -0.000 0.000 0.285 318 F C -0.211 175.649 175.800 0.100 0.000 0.827 318 F CA 0.579 58.636 58.000 0.095 0.000 1.108 318 F CB -2.172 36.902 39.000 0.123 0.000 1.252 318 F HN 0.035 nan 8.300 nan 0.000 0.483 319 E N -0.044 120.240 120.200 0.139 0.000 2.115 319 E HA 0.206 4.555 4.350 -0.000 0.000 0.282 319 E C -0.239 176.460 176.600 0.165 0.000 0.987 319 E CA -0.858 55.679 56.400 0.227 0.000 0.797 319 E CB 0.550 30.375 29.700 0.208 0.000 1.086 319 E HN 0.201 nan 8.360 nan 0.000 0.397 320 W N 1.990 123.469 121.300 0.299 0.000 2.148 320 W HA -0.007 4.653 4.660 -0.000 0.000 0.347 320 W C 0.789 177.454 176.519 0.243 0.000 1.288 320 W CA 0.091 57.659 57.345 0.372 0.000 1.252 320 W CB 0.288 29.996 29.460 0.413 0.000 1.156 320 W HN 0.387 nan 8.180 nan 0.000 0.580 321 D N 2.959 123.659 120.400 0.499 0.000 2.336 321 D HA 0.146 4.786 4.640 -0.000 0.000 0.249 321 D C -1.586 174.875 176.300 0.268 0.000 1.213 321 D CA -2.191 51.980 54.000 0.285 0.000 0.870 321 D CB 1.373 42.287 40.800 0.190 0.000 1.076 321 D HN -0.053 nan 8.370 nan 0.000 0.483 322 P HA -0.114 nan 4.420 nan 0.000 0.216 322 P C 1.437 178.774 177.300 0.062 0.000 1.150 322 P CA 0.463 63.645 63.100 0.136 0.000 0.837 322 P CB 0.296 32.058 31.700 0.104 0.000 0.786 323 L N -1.022 120.214 121.223 0.022 0.000 2.456 323 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 323 L C 1.924 178.730 176.870 -0.106 0.000 1.148 323 L CA 2.269 57.086 54.840 -0.038 0.000 0.825 323 L CB -2.106 39.920 42.059 -0.054 0.000 0.937 323 L HN 0.225 nan 8.230 nan 0.000 0.450 324 T N -5.383 109.081 114.554 -0.149 0.000 3.058 324 T HA 0.123 4.473 4.350 -0.000 0.000 0.247 324 T C 0.554 174.913 174.700 -0.568 0.000 0.987 324 T CA -0.104 61.744 62.100 -0.420 0.000 1.062 324 T CB -0.021 68.492 68.868 -0.590 0.000 1.048 324 T HN -0.000 nan 8.240 nan 0.000 0.468 325 F N 2.092 122.137 119.950 0.157 0.000 2.564 325 F HA 0.464 4.991 4.527 -0.000 0.000 0.368 325 F C -2.289 173.541 175.800 0.050 0.000 1.127 325 F CA -2.373 55.700 58.000 0.120 0.000 1.170 325 F CB 2.083 41.217 39.000 0.223 0.000 1.397 325 F HN -0.025 nan 8.300 nan 0.000 0.493 326 P HA -0.107 nan 4.420 nan 0.000 0.221 326 P C -0.065 177.246 177.300 0.017 0.000 1.150 326 P CA 1.259 64.400 63.100 0.068 0.000 0.800 326 P CB 0.315 32.038 31.700 0.038 0.000 0.787 327 D N -1.983 118.411 120.400 -0.009 0.000 2.405 327 D HA 0.177 4.817 4.640 -0.000 0.000 0.264 327 D C -1.923 174.241 176.300 -0.227 0.000 1.240 327 D CA -2.109 51.831 54.000 -0.100 0.000 0.893 327 D CB 0.366 41.127 40.800 -0.065 0.000 1.198 327 D HN -0.168 nan 8.370 nan 0.000 0.514 328 P HA -0.159 nan 4.420 nan 0.000 0.210 328 P C 1.213 178.133 177.300 -0.634 0.000 1.185 328 P CA 0.914 63.459 63.100 -0.925 0.000 0.924 328 P CB 0.284 30.998 31.700 -1.642 0.000 0.786 329 E N 0.012 119.929 120.200 -0.472 0.000 2.130 329 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 329 E C 1.264 177.735 176.600 -0.215 0.000 0.998 329 E CA 0.997 57.220 56.400 -0.295 0.000 0.806 329 E CB -0.814 28.761 29.700 -0.208 0.000 0.738 329 E HN 0.178 nan 8.360 nan 0.000 0.459 333 R N 1.726 122.160 120.500 -0.110 0.000 2.127 333 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 333 R C 1.970 178.219 176.300 -0.085 0.000 1.134 333 R CA 1.411 57.451 56.100 -0.099 0.000 0.975 333 R CB -0.717 29.524 30.300 -0.098 0.000 0.865 333 R HN 0.395 nan 8.270 nan 0.000 0.447 334 R N 0.177 120.631 120.500 -0.076 0.000 2.073 334 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 334 R C 1.876 178.136 176.300 -0.067 0.000 1.120 334 R CA 0.917 56.978 56.100 -0.065 0.000 0.967 334 R CB -0.079 30.188 30.300 -0.055 0.000 0.862 334 R HN 0.008 nan 8.270 nan 0.000 0.436 335 L N 0.919 122.102 121.223 -0.066 0.000 2.217 335 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 335 L C 1.739 178.555 176.870 -0.090 0.000 1.107 335 L CA 1.638 56.431 54.840 -0.079 0.000 0.783 335 L CB -0.189 41.826 42.059 -0.074 0.000 0.919 335 L HN 0.042 nan 8.230 nan 0.000 0.442 336 K N -0.658 119.685 120.400 -0.095 0.000 2.432 336 K HA 0.097 4.417 4.320 -0.000 0.000 0.196 336 K C 1.937 178.473 176.600 -0.106 0.000 1.038 336 K CA 0.767 56.982 56.287 -0.119 0.000 0.986 336 K CB -0.056 32.362 32.500 -0.136 0.000 0.782 336 K HN 0.242 nan 8.250 nan 0.000 0.485 337 A N 1.702 124.469 122.820 -0.088 0.000 2.119 337 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 337 A C 1.456 178.997 177.584 -0.072 0.000 1.153 337 A CA 0.962 52.953 52.037 -0.076 0.000 0.692 337 A CB -0.047 18.913 19.000 -0.067 0.000 0.799 337 A HN 0.148 nan 8.150 nan 0.000 0.458 338 K N -1.047 119.307 120.400 -0.076 0.000 2.437 338 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 338 K C 1.180 177.737 176.600 -0.072 0.000 1.024 338 K CA 0.421 56.665 56.287 -0.070 0.000 1.148 338 K CB 0.080 32.536 32.500 -0.074 0.000 0.860 338 K HN 0.546 nan 8.250 nan 0.000 0.515 339 G N 1.544 110.294 108.800 -0.082 0.000 2.383 339 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.229 339 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.229 339 G C 0.315 175.145 174.900 -0.116 0.000 1.089 339 G CA -0.276 44.773 45.100 -0.085 0.000 0.640 339 G HN 0.200 nan 8.290 nan 0.000 0.510 340 L N 0.959 122.115 121.223 -0.111 0.000 2.613 340 L HA 0.121 4.461 4.340 -0.000 0.000 0.304 340 L C 0.709 177.442 176.870 -0.228 0.000 1.266 340 L CA 0.580 55.339 54.840 -0.134 0.000 0.868 340 L CB 0.158 42.156 42.059 -0.102 0.000 1.111 340 L HN 0.137 nan 8.230 nan 0.000 0.515 341 K N 3.711 123.925 120.400 -0.311 0.000 2.156 341 K HA 0.625 4.945 4.320 -0.000 0.000 0.254 341 K C -0.550 175.822 176.600 -0.380 0.000 0.950 341 K CA -0.628 55.343 56.287 -0.527 0.000 0.849 341 K CB 2.397 34.315 32.500 -0.970 0.000 1.100 341 K HN 0.541 nan 8.250 nan 0.000 0.434 342 I N -1.667 118.700 120.570 -0.338 0.000 2.569 342 I HA 0.526 4.696 4.170 -0.000 0.000 0.296 342 I C -0.744 175.229 176.117 -0.240 0.000 1.028 342 I CA -0.831 60.347 61.300 -0.203 0.000 1.082 342 I CB 2.055 40.054 38.000 -0.001 0.000 1.264 342 I HN 0.492 nan 8.210 nan 0.000 0.429 343 C N 6.651 125.834 119.300 -0.195 0.000 2.561 343 C HA 0.906 5.366 4.460 -0.000 0.000 0.319 343 C C -0.233 174.722 174.990 -0.060 0.000 1.198 343 C CA -0.176 58.771 59.018 -0.118 0.000 1.665 343 C CB 1.153 28.907 27.740 0.023 0.000 2.258 343 C HN 0.851 nan 8.230 nan 0.000 0.493 344 V N 2.577 122.451 119.914 -0.067 0.000 2.823 344 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 344 V C -0.816 175.436 176.094 0.263 0.000 1.072 344 V CA -0.854 61.373 62.300 -0.121 0.000 0.937 344 V CB 1.456 33.008 31.823 -0.453 0.000 1.013 344 V HN 1.102 nan 8.190 nan 0.000 0.430 345 W N 5.779 127.148 121.300 0.116 0.000 2.272 345 W HA 0.755 5.415 4.660 -0.000 0.000 0.318 345 W C -0.337 176.409 176.519 0.378 0.000 1.255 345 W CA -0.262 57.266 57.345 0.306 0.000 1.200 345 W CB 0.934 30.493 29.460 0.165 0.000 1.170 345 W HN 0.884 nan 8.180 nan 0.000 0.549 346 I N 4.136 124.473 120.570 -0.389 0.000 3.191 346 I HA 0.639 4.809 4.170 -0.000 0.000 0.313 346 I C -1.049 174.500 176.117 -0.946 0.000 1.193 346 I CA -1.192 59.847 61.300 -0.435 0.000 0.968 346 I CB 2.251 40.291 38.000 0.066 0.000 1.262 346 I HN 0.597 nan 8.210 nan 0.000 0.456 347 N N 1.598 120.003 118.700 -0.492 0.000 2.927 347 N HA 0.445 5.185 4.740 -0.000 0.000 0.248 347 N C -2.947 172.508 175.510 -0.091 0.000 1.443 347 N CA -1.539 51.305 53.050 -0.343 0.000 0.870 347 N CB 2.201 40.353 38.487 -0.558 0.000 1.444 347 N HN 0.459 nan 8.380 nan 0.000 0.519 348 P HA 0.247 nan 4.420 nan 0.000 0.254 348 P C -0.846 176.617 177.300 0.272 0.000 1.494 348 P CA 0.152 63.162 63.100 -0.150 0.000 0.961 348 P CB -0.403 30.964 31.700 -0.556 0.000 1.493 349 Y N -0.275 120.205 120.300 0.300 0.000 2.650 349 Y HA 0.690 5.240 4.550 -0.000 0.000 0.331 349 Y C 0.410 176.457 175.900 0.245 0.000 1.082 349 Y CA -1.686 56.545 58.100 0.217 0.000 1.171 349 Y CB 2.347 40.981 38.460 0.290 0.000 1.326 349 Y HN -0.294 nan 8.280 nan 0.000 0.513 350 I N 0.489 121.268 120.570 0.349 0.000 2.715 350 I HA 0.461 4.631 4.170 -0.000 0.000 0.288 350 I C -0.760 175.517 176.117 0.268 0.000 1.371 350 I CA -0.305 61.167 61.300 0.287 0.000 1.056 350 I CB 1.515 39.606 38.000 0.151 0.000 1.339 350 I HN 0.754 nan 8.210 nan 0.000 0.425 351 G N 4.634 113.535 108.800 0.169 0.000 2.476 351 G HA2 0.277 4.237 3.960 -0.000 0.000 0.269 351 G HA3 0.277 4.237 3.960 -0.000 0.000 0.269 351 G C 0.409 175.172 174.900 -0.228 0.000 1.195 351 G CA -0.310 44.777 45.100 -0.022 0.000 0.843 351 G HN 0.820 nan 8.290 nan 0.000 0.545 352 Q N 0.370 119.769 119.800 -0.668 0.000 2.488 352 Q HA 0.002 4.342 4.340 -0.000 0.000 0.211 352 Q C 1.810 177.539 176.000 -0.451 0.000 0.967 352 Q CA 0.951 56.048 55.803 -1.177 0.000 0.926 352 Q CB -0.002 27.803 28.738 -1.555 0.000 0.992 352 Q HN 0.629 nan 8.270 nan 0.000 0.506 353 K N 1.307 121.553 120.400 -0.256 0.000 2.439 353 K HA -0.000 4.320 4.320 -0.000 0.000 0.197 353 K C 0.428 177.006 176.600 -0.036 0.000 1.041 353 K CA 0.319 56.527 56.287 -0.132 0.000 0.970 353 K CB 0.168 32.608 32.500 -0.099 0.000 0.773 353 K HN 0.163 nan 8.250 nan 0.000 0.479 354 S N 1.090 116.797 115.700 0.011 0.000 2.549 354 S HA 0.121 4.591 4.470 -0.000 0.000 0.283 354 S C -1.932 172.753 174.600 0.142 0.000 1.320 354 S CA -1.442 56.821 58.200 0.105 0.000 1.058 354 S CB 1.048 64.357 63.200 0.180 0.000 0.882 354 S HN 0.053 nan 8.310 nan 0.000 0.498 355 P HA -0.039 nan 4.420 nan 0.000 0.222 355 P C 1.016 178.417 177.300 0.168 0.000 1.147 355 P CA 0.536 63.716 63.100 0.133 0.000 0.790 355 P CB 0.091 31.863 31.700 0.120 0.000 0.780 356 V N -1.825 118.219 119.914 0.217 0.000 2.951 356 V HA -0.121 3.999 4.120 -0.000 0.000 0.255 356 V C 1.953 178.137 176.094 0.151 0.000 1.088 356 V CA 0.758 63.197 62.300 0.230 0.000 1.109 356 V CB -1.356 30.688 31.823 0.369 0.000 0.724 356 V HN 0.039 nan 8.190 nan 0.000 0.471 357 F N 1.778 121.746 119.950 0.030 0.000 2.115 357 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 357 F C 2.450 178.213 175.800 -0.060 0.000 1.092 357 F CA 2.429 60.409 58.000 -0.032 0.000 1.245 357 F CB -0.111 38.873 39.000 -0.026 0.000 0.995 357 F HN 0.030 nan 8.300 nan 0.000 0.481 358 K N 0.296 120.773 120.400 0.128 0.000 2.009 358 K HA -0.287 4.033 4.320 -0.000 0.000 0.210 358 K C 2.260 178.794 176.600 -0.110 0.000 1.049 358 K CA 1.959 58.261 56.287 0.025 0.000 0.929 358 K CB -0.441 32.104 32.500 0.075 0.000 0.714 358 K HN 0.478 nan 8.250 nan 0.000 0.440 359 E N 0.104 120.253 120.200 -0.085 0.000 2.058 359 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 359 E C 1.979 178.391 176.600 -0.313 0.000 0.997 359 E CA 1.141 57.460 56.400 -0.135 0.000 0.801 359 E CB 0.012 29.692 29.700 -0.034 0.000 0.746 359 E HN 0.151 nan 8.360 nan 0.000 0.450 360 L N 1.343 122.328 121.223 -0.397 0.000 2.042 360 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 360 L C 2.534 179.100 176.870 -0.505 0.000 1.076 360 L CA 1.779 56.285 54.840 -0.557 0.000 0.749 360 L CB -1.161 40.580 42.059 -0.531 0.000 0.893 360 L HN 0.305 nan 8.230 nan 0.000 0.432 361 Q N -0.518 118.988 119.800 -0.490 0.000 2.050 361 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 361 Q C 2.064 177.906 176.000 -0.262 0.000 0.980 361 Q CA 1.840 57.401 55.803 -0.402 0.000 0.840 361 Q CB 0.053 28.549 28.738 -0.404 0.000 0.898 361 Q HN 0.554 nan 8.270 nan 0.000 0.424 362 E N -0.014 120.044 120.200 -0.237 0.000 2.106 362 E HA -0.146 4.203 4.350 -0.000 0.000 0.192 362 E C 1.706 178.182 176.600 -0.206 0.000 0.984 362 E CA 0.918 57.215 56.400 -0.171 0.000 0.806 362 E CB 0.164 29.787 29.700 -0.128 0.000 0.750 362 E HN 0.238 nan 8.360 nan 0.000 0.458 363 K N -0.521 119.658 120.400 -0.368 0.000 2.459 363 K HA 0.049 4.369 4.320 -0.000 0.000 0.193 363 K C 0.798 177.190 176.600 -0.348 0.000 1.030 363 K CA 0.480 56.465 56.287 -0.504 0.000 1.026 363 K CB 0.547 32.374 32.500 -1.122 0.000 0.809 363 K HN 0.202 nan 8.250 nan 0.000 0.504 364 G N 1.369 110.033 108.800 -0.227 0.000 2.225 364 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 364 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 364 G C 0.198 175.203 174.900 0.176 0.000 1.060 364 G CA 0.020 45.114 45.100 -0.010 0.000 0.833 364 G HN 0.531 nan 8.290 nan 0.000 0.498 365 Y N -1.047 119.174 120.300 -0.131 0.000 2.457 365 Y HA 0.360 4.910 4.550 -0.000 0.000 0.263 365 Y C 1.611 177.438 175.900 -0.123 0.000 1.164 365 Y CA -0.481 57.550 58.100 -0.115 0.000 1.274 365 Y CB 0.438 38.809 38.460 -0.147 0.000 1.097 365 Y HN 0.215 nan 8.280 nan 0.000 0.523 366 L N 1.058 122.259 121.223 -0.038 0.000 2.322 366 L HA 0.283 4.623 4.340 -0.000 0.000 0.279 366 L C -0.000 176.805 176.870 -0.108 0.000 1.036 366 L CA -0.803 53.954 54.840 -0.137 0.000 0.807 366 L CB 1.890 43.790 42.059 -0.264 0.000 1.226 366 L HN 0.061 nan 8.230 nan 0.000 0.433 367 L N 3.125 124.250 121.223 -0.163 0.000 2.578 367 L HA -0.016 4.324 4.340 -0.000 0.000 0.279 367 L C -0.131 176.640 176.870 -0.165 0.000 1.227 367 L CA 0.767 55.438 54.840 -0.282 0.000 0.900 367 L CB 0.187 41.956 42.059 -0.484 0.000 1.144 367 L HN 0.662 nan 8.230 nan 0.000 0.496 368 K N 4.709 125.000 120.400 -0.181 0.000 2.281 368 K HA 0.539 4.858 4.320 -0.000 0.000 0.242 368 K C -0.777 175.778 176.600 -0.075 0.000 0.971 368 K CA -0.912 55.329 56.287 -0.077 0.000 0.834 368 K CB 1.907 34.381 32.500 -0.044 0.000 1.181 368 K HN 0.518 nan 8.250 nan 0.000 0.435 369 R N 0.931 121.434 120.500 0.005 0.000 2.543 369 R HA 0.131 4.470 4.340 -0.000 0.000 0.268 369 R C -1.789 174.509 176.300 -0.004 0.000 1.067 369 R CA -1.811 54.303 56.100 0.024 0.000 1.142 369 R CB 0.121 30.459 30.300 0.064 0.000 1.110 369 R HN 0.323 nan 8.270 nan 0.000 0.549 370 P HA -0.195 nan 4.420 nan 0.000 0.220 370 P C 0.164 177.467 177.300 0.005 0.000 1.144 370 P CA 1.335 64.437 63.100 0.003 0.000 0.800 370 P CB 0.092 31.801 31.700 0.014 0.000 0.772 371 D N -2.407 117.998 120.400 0.008 0.000 2.349 371 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 371 D C 1.514 177.815 176.300 0.002 0.000 1.029 371 D CA 0.762 54.766 54.000 0.006 0.000 0.879 371 D CB -0.786 40.019 40.800 0.007 0.000 0.906 371 D HN 0.230 nan 8.370 nan 0.000 0.528 372 G N 0.089 108.889 108.800 0.000 0.000 2.234 372 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 372 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 372 G C 0.506 175.403 174.900 -0.005 0.000 0.997 372 G CA 0.343 45.442 45.100 -0.001 0.000 0.623 372 G HN 0.821 nan 8.290 nan 0.000 0.514 373 S N 0.616 116.314 115.700 -0.004 0.000 2.600 373 S HA 0.692 5.161 4.470 -0.000 0.000 0.265 373 S C 0.642 175.240 174.600 -0.005 0.000 1.325 373 S CA -0.579 57.617 58.200 -0.007 0.000 1.002 373 S CB 1.270 64.465 63.200 -0.009 0.000 0.921 373 S HN 0.681 nan 8.310 nan 0.000 0.554 374 L N 0.605 121.823 121.223 -0.008 0.000 2.436 374 L HA 0.311 4.650 4.340 -0.000 0.000 0.265 374 L C -0.037 176.846 176.870 0.022 0.000 1.168 374 L CA -0.672 54.170 54.840 0.004 0.000 0.815 374 L CB 0.415 42.478 42.059 0.007 0.000 1.109 374 L HN 0.837 nan 8.230 nan 0.000 0.462 375 W N 3.284 124.509 121.300 -0.125 0.000 2.316 375 W HA 0.379 5.039 4.660 -0.000 0.000 0.311 375 W C -0.455 175.992 176.519 -0.120 0.000 1.217 375 W CA -0.079 57.177 57.345 -0.148 0.000 1.199 375 W CB 0.693 30.009 29.460 -0.241 0.000 1.202 375 W HN 0.432 nan 8.180 nan 0.000 0.528 376 Q N 4.734 123.943 119.800 -0.985 0.000 2.565 376 Q HA 0.462 4.802 4.340 -0.000 0.000 0.294 376 Q C -1.221 174.252 176.000 -0.879 0.000 1.005 376 Q CA -0.857 54.491 55.803 -0.759 0.000 0.771 376 Q CB 2.854 31.432 28.738 -0.267 0.000 1.486 376 Q HN 0.567 nan 8.270 nan 0.000 0.422 377 W N -0.074 120.853 121.300 -0.622 0.000 2.929 377 W HA 0.350 5.010 4.660 -0.000 0.000 0.363 377 W C -1.552 174.850 176.519 -0.195 0.000 1.168 377 W CA -0.703 56.403 57.345 -0.398 0.000 1.163 377 W CB -0.249 28.979 29.460 -0.386 0.000 1.455 377 W HN 0.576 nan 8.180 nan 0.000 0.568 378 D N 0.778 121.101 120.400 -0.127 0.000 2.340 378 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 378 D C 0.246 176.348 176.300 -0.331 0.000 1.081 378 D CA 0.221 54.101 54.000 -0.201 0.000 0.842 378 D CB 0.554 41.256 40.800 -0.163 0.000 0.934 378 D HN -0.000 nan 8.370 nan 0.000 0.511 379 K N 0.630 120.533 120.400 -0.828 0.000 2.350 379 K HA -0.048 4.271 4.320 -0.000 0.000 0.279 379 K C 1.030 177.650 176.600 0.035 0.000 1.027 379 K CA -0.280 55.637 56.287 -0.616 0.000 0.969 379 K CB 1.500 33.194 32.500 -1.345 0.000 0.954 379 K HN 0.282 nan 8.250 nan 0.000 0.474 380 W N 0.579 121.885 121.300 0.009 0.000 0.688 380 W HA -0.340 4.320 4.660 -0.000 0.000 0.217 380 W C -0.870 175.737 176.519 0.147 0.000 0.919 380 W CA 1.510 58.969 57.345 0.190 0.000 0.341 380 W CB -0.408 29.230 29.460 0.297 0.000 1.913 380 W HN 0.582 nan 8.180 nan 0.000 1.347 381 Q N -0.175 119.661 119.800 0.059 0.000 2.416 381 Q HA 0.420 4.760 4.340 -0.000 0.000 0.281 381 Q C -2.472 173.498 176.000 -0.051 0.000 1.067 381 Q CA -1.715 54.031 55.803 -0.096 0.000 0.809 381 Q CB 1.769 30.482 28.738 -0.041 0.000 1.418 381 Q HN -0.167 nan 8.270 nan 0.000 0.411 382 P HA 0.092 nan 4.420 nan 0.000 0.271 382 P C 0.203 177.398 177.300 -0.175 0.000 1.220 382 P CA 0.581 63.567 63.100 -0.189 0.000 0.768 382 P CB 0.391 31.898 31.700 -0.322 0.000 0.848 383 G N 3.315 112.024 108.800 -0.151 0.000 2.393 383 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.299 383 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.299 383 G C -0.056 174.784 174.900 -0.101 0.000 0.990 383 G CA -0.251 44.750 45.100 -0.166 0.000 1.118 383 G HN 0.584 nan 8.290 nan 0.000 0.513 384 L N 0.290 121.554 121.223 0.069 0.000 2.410 384 L HA 0.602 4.941 4.340 -0.000 0.000 0.273 384 L C 0.729 177.718 176.870 0.198 0.000 1.144 384 L CA 0.225 55.184 54.840 0.199 0.000 0.863 384 L CB 0.604 42.892 42.059 0.380 0.000 1.140 384 L HN 0.535 nan 8.230 nan 0.000 0.463 385 A N 6.303 129.274 122.820 0.252 0.000 2.344 385 A HA 0.826 5.146 4.320 -0.000 0.000 0.307 385 A C -0.812 176.829 177.584 0.095 0.000 1.151 385 A CA -0.728 51.431 52.037 0.204 0.000 0.842 385 A CB 1.150 20.291 19.000 0.236 0.000 1.350 385 A HN 0.692 nan 8.150 nan 0.000 0.459 386 I N -0.036 120.529 120.570 -0.009 0.000 2.545 386 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 386 I C -1.364 174.643 176.117 -0.183 0.000 1.040 386 I CA -0.524 60.740 61.300 -0.059 0.000 1.068 386 I CB 1.791 39.705 38.000 -0.144 0.000 1.251 386 I HN 0.602 nan 8.210 nan 0.000 0.424 387 Y N 3.466 123.688 120.300 -0.130 0.000 2.605 387 Y HA -0.018 4.532 4.550 -0.000 0.000 0.336 387 Y C 0.812 176.450 175.900 -0.436 0.000 1.111 387 Y CA 0.077 57.963 58.100 -0.357 0.000 1.422 387 Y CB -0.060 37.993 38.460 -0.679 0.000 1.193 387 Y HN 0.400 nan 8.280 nan 0.000 0.526 388 D N 4.074 124.450 120.400 -0.039 0.000 2.416 388 D HA -0.018 4.622 4.640 -0.000 0.000 0.240 388 D C 0.037 176.457 176.300 0.199 0.000 1.250 388 D CA 0.075 54.173 54.000 0.164 0.000 0.967 388 D CB -0.077 40.815 40.800 0.153 0.000 1.059 388 D HN 0.368 nan 8.370 nan 0.000 0.512 389 F N 1.208 121.383 119.950 0.376 0.000 2.816 389 F HA -0.020 4.507 4.527 -0.000 0.000 0.302 389 F C 2.404 178.268 175.800 0.107 0.000 1.178 389 F CA 0.453 58.521 58.000 0.113 0.000 1.421 389 F CB -0.578 38.363 39.000 -0.097 0.000 1.114 389 F HN 0.331 nan 8.300 nan 0.000 0.573 390 T N -3.970 110.816 114.554 0.388 0.000 3.086 390 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 390 T C 0.669 175.530 174.700 0.268 0.000 1.074 390 T CA -0.195 62.098 62.100 0.322 0.000 0.988 390 T CB -0.293 68.814 68.868 0.399 0.000 0.988 390 T HN 0.039 nan 8.240 nan 0.000 0.530 391 N N 2.244 120.987 118.700 0.073 0.000 2.485 391 N HA 0.297 5.037 4.740 -0.000 0.000 0.243 391 N C -2.195 173.120 175.510 -0.325 0.000 0.987 391 N CA -2.291 50.482 53.050 -0.462 0.000 0.940 391 N CB 1.934 40.093 38.487 -0.545 0.000 1.122 391 N HN -0.070 nan 8.380 nan 0.000 0.509 392 P HA -0.160 nan 4.420 nan 0.000 0.220 392 P C 0.244 177.439 177.300 -0.176 0.000 1.155 392 P CA 1.532 64.552 63.100 -0.133 0.000 0.880 392 P CB 0.384 32.045 31.700 -0.064 0.000 0.790 393 D N -1.577 118.639 120.400 -0.306 0.000 2.183 393 D HA -0.046 4.594 4.640 -0.000 0.000 0.203 393 D C 2.005 177.889 176.300 -0.693 0.000 0.969 393 D CA 1.189 54.964 54.000 -0.375 0.000 0.842 393 D CB -0.651 39.972 40.800 -0.295 0.000 0.957 393 D HN 0.075 nan 8.370 nan 0.000 0.484 394 A N -0.032 122.343 122.820 -0.742 0.000 1.873 394 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 394 A C 2.299 179.907 177.584 0.040 0.000 1.186 394 A CA 1.048 52.781 52.037 -0.507 0.000 0.616 394 A CB -0.925 17.961 19.000 -0.190 0.000 0.823 394 A HN 0.366 nan 8.150 nan 0.000 0.442 395 C N -0.501 118.847 119.300 0.080 0.000 2.429 395 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 395 C C 2.730 177.781 174.990 0.101 0.000 1.262 395 C CA 1.119 60.224 59.018 0.145 0.000 1.733 395 C CB -0.839 26.922 27.740 0.035 0.000 2.010 395 C HN 0.505 nan 8.230 nan 0.000 0.483 396 K N -0.244 120.176 120.400 0.035 0.000 2.009 396 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 396 K C 1.809 178.461 176.600 0.087 0.000 1.049 396 K CA 1.804 58.110 56.287 0.032 0.000 0.929 396 K CB -0.685 31.825 32.500 0.016 0.000 0.714 396 K HN 0.781 nan 8.250 nan 0.000 0.440 397 W N 0.472 121.755 121.300 -0.028 0.000 2.318 397 W HA -0.297 4.363 4.660 -0.000 0.000 0.313 397 W C 2.241 178.776 176.519 0.026 0.000 1.221 397 W CA 1.949 59.329 57.345 0.059 0.000 1.266 397 W CB -0.577 29.000 29.460 0.195 0.000 1.150 397 W HN 0.205 nan 8.180 nan 0.000 0.496 398 Y N 0.431 120.901 120.300 0.282 0.000 2.200 398 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 398 Y C 2.386 178.125 175.900 -0.269 0.000 1.137 398 Y CA 2.544 60.675 58.100 0.051 0.000 1.163 398 Y CB -0.898 37.671 38.460 0.182 0.000 0.988 398 Y HN -0.015 nan 8.280 nan 0.000 0.518 399 A N 0.084 122.888 122.820 -0.027 0.000 1.877 399 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 399 A C 1.899 179.313 177.584 -0.284 0.000 1.186 399 A CA 1.982 53.924 52.037 -0.158 0.000 0.620 399 A CB -0.831 18.112 19.000 -0.094 0.000 0.822 399 A HN 0.497 nan 8.150 nan 0.000 0.443 400 D N -0.371 119.863 120.400 -0.277 0.000 2.123 400 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 400 D C 1.856 177.894 176.300 -0.436 0.000 0.992 400 D CA 1.649 55.467 54.000 -0.304 0.000 0.833 400 D CB -0.230 40.407 40.800 -0.272 0.000 0.954 400 D HN 0.333 nan 8.370 nan 0.000 0.455 401 K N 0.013 119.990 120.400 -0.705 0.000 2.211 401 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 401 K C 1.800 177.921 176.600 -0.799 0.000 1.050 401 K CA 0.297 56.063 56.287 -0.868 0.000 0.945 401 K CB -0.278 31.366 32.500 -1.427 0.000 0.732 401 K HN -0.009 nan 8.250 nan 0.000 0.451 402 L N 0.804 121.551 121.223 -0.792 0.000 2.072 402 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 402 L C 1.698 178.450 176.870 -0.196 0.000 1.079 402 L CA 1.703 56.211 54.840 -0.554 0.000 0.752 402 L CB -0.395 41.290 42.059 -0.624 0.000 0.906 402 L HN 0.064 nan 8.230 nan 0.000 0.436 403 K N -1.003 119.270 120.400 -0.212 0.000 2.147 403 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 403 K C 1.987 178.532 176.600 -0.092 0.000 1.049 403 K CA 1.094 57.313 56.287 -0.113 0.000 0.936 403 K CB -0.530 31.893 32.500 -0.128 0.000 0.722 403 K HN 0.447 nan 8.250 nan 0.000 0.446 404 G N 1.090 109.807 108.800 -0.138 0.000 2.432 404 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 404 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 404 G C 1.408 176.298 174.900 -0.017 0.000 1.135 404 G CA 0.516 45.564 45.100 -0.087 0.000 0.767 404 G HN 0.112 nan 8.290 nan 0.000 0.550 405 L N 0.098 121.330 121.223 0.016 0.000 2.131 405 L HA 0.001 4.341 4.340 -0.000 0.000 0.206 405 L C 2.906 179.792 176.870 0.025 0.000 1.087 405 L CA 0.195 55.087 54.840 0.087 0.000 0.767 405 L CB -0.273 41.905 42.059 0.199 0.000 0.917 405 L HN 0.071 nan 8.230 nan 0.000 0.441 406 V N 0.151 120.085 119.914 0.034 0.000 2.427 406 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 406 V C 1.738 177.796 176.094 -0.060 0.000 1.051 406 V CA 1.005 63.285 62.300 -0.033 0.000 1.048 406 V CB -0.874 30.945 31.823 -0.008 0.000 0.666 406 V HN 0.392 nan 8.190 nan 0.000 0.456 410 V N -0.739 119.072 119.914 -0.170 0.000 2.740 410 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 410 V C 0.430 176.337 176.094 -0.312 0.000 1.054 410 V CA 0.716 62.867 62.300 -0.249 0.000 1.106 410 V CB 1.462 33.102 31.823 -0.305 0.000 0.957 410 V HN 0.141 nan 8.190 nan 0.000 0.486 411 D N 2.462 122.652 120.400 -0.350 0.000 2.423 411 D HA 0.208 4.848 4.640 -0.000 0.000 0.212 411 D C 0.497 176.653 176.300 -0.240 0.000 1.060 411 D CA 1.138 54.967 54.000 -0.286 0.000 0.872 411 D CB 1.041 41.624 40.800 -0.362 0.000 1.012 411 D HN 0.929 nan 8.370 nan 0.000 0.503 412 C N -1.169 117.896 119.300 -0.392 0.000 3.332 412 C HA 0.794 5.253 4.460 -0.000 0.000 0.329 412 C C -1.410 173.216 174.990 -0.608 0.000 1.434 412 C CA -1.203 57.631 59.018 -0.307 0.000 1.314 412 C CB 0.824 28.660 27.740 0.159 0.000 1.664 412 C HN -0.065 nan 8.230 nan 0.000 0.457 413 F N 0.334 120.353 119.950 0.115 0.000 2.603 413 F HA 0.688 5.215 4.527 -0.000 0.000 0.317 413 F C 0.017 175.871 175.800 0.091 0.000 1.066 413 F CA -0.679 57.375 58.000 0.089 0.000 0.941 413 F CB 1.763 40.787 39.000 0.041 0.000 1.291 413 F HN 0.773 nan 8.300 nan 0.000 0.472 414 K N 1.459 122.018 120.400 0.266 0.000 2.354 414 K HA 0.316 4.636 4.320 -0.000 0.000 0.257 414 K C -0.761 175.820 176.600 -0.031 0.000 1.062 414 K CA -0.406 55.928 56.287 0.079 0.000 0.971 414 K CB 0.536 33.017 32.500 -0.031 0.000 1.305 414 K HN 0.741 nan 8.250 nan 0.000 0.449 415 T N 1.131 115.656 114.554 -0.049 0.000 2.978 415 T HA 0.095 4.445 4.350 -0.000 0.000 0.278 415 T C 0.015 174.695 174.700 -0.033 0.000 0.945 415 T CA -0.717 61.312 62.100 -0.119 0.000 1.070 415 T CB 0.288 68.900 68.868 -0.426 0.000 0.948 415 T HN 0.395 nan 8.240 nan 0.000 0.617 416 D N 1.548 121.907 120.400 -0.069 0.000 2.348 416 D HA 0.530 5.170 4.640 -0.000 0.000 0.249 416 D C 0.668 177.152 176.300 0.308 0.000 1.110 416 D CA -0.773 53.269 54.000 0.070 0.000 0.967 416 D CB 0.313 41.198 40.800 0.142 0.000 1.139 416 D HN 0.444 nan 8.370 nan 0.000 0.466 417 F N -0.201 119.759 119.950 0.018 0.000 2.181 417 F HA -0.169 4.358 4.527 -0.000 0.000 0.317 417 F C 1.753 177.646 175.800 0.154 0.000 0.129 417 F CA 1.329 59.358 58.000 0.048 0.000 0.911 417 F CB -1.407 37.501 39.000 -0.152 0.000 4.128 417 F HN 0.574 nan 8.300 nan 0.000 0.142 418 G N -1.259 107.782 108.800 0.402 0.000 2.179 418 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 418 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 418 G C 0.506 175.604 174.900 0.330 0.000 0.990 418 G CA 0.652 45.991 45.100 0.398 0.000 0.646 418 G HN 0.710 nan 8.290 nan 0.000 0.517 419 E N 0.333 120.724 120.200 0.317 0.000 2.042 419 E HA 0.195 4.544 4.350 -0.000 0.000 0.189 419 E C 1.701 178.324 176.600 0.038 0.000 0.974 419 E CA 0.442 56.944 56.400 0.170 0.000 0.806 419 E CB -0.084 29.792 29.700 0.293 0.000 0.769 419 E HN 0.441 nan 8.360 nan 0.000 0.451 420 R N 1.491 122.132 120.500 0.235 0.000 4.154 420 R HA 0.107 4.447 4.340 -0.000 0.000 0.186 420 R C -0.512 175.741 176.300 -0.079 0.000 1.750 420 R CA -0.027 56.196 56.100 0.205 0.000 1.431 420 R CB -0.246 30.303 30.300 0.414 0.000 1.383 420 R HN 0.089 nan 8.270 nan 0.000 0.788 421 I N 4.270 124.716 120.570 -0.207 0.000 2.297 421 I HA 0.203 4.372 4.170 -0.000 0.000 0.291 421 I C -1.609 174.400 176.117 -0.181 0.000 1.033 421 I CA -3.265 57.833 61.300 -0.338 0.000 1.253 421 I CB 0.728 38.499 38.000 -0.382 0.000 1.396 421 I HN 0.126 nan 8.210 nan 0.000 0.476 422 P HA 0.103 nan 4.420 nan 0.000 0.270 422 P C 0.486 177.686 177.300 -0.167 0.000 1.223 422 P CA 0.101 62.911 63.100 -0.484 0.000 0.785 422 P CB 0.859 31.777 31.700 -1.303 0.000 0.923 423 T N -3.982 110.572 114.554 0.000 0.000 2.971 423 T HA 0.023 4.373 4.350 -0.000 0.000 0.252 423 T C 0.545 175.282 174.700 0.062 0.000 1.022 423 T CA -0.123 62.051 62.100 0.123 0.000 0.980 423 T CB -0.390 68.620 68.868 0.238 0.000 1.044 423 T HN 0.429 nan 8.240 nan 0.000 0.501 424 D N 2.023 122.434 120.400 0.018 0.000 2.845 424 D HA 0.404 5.044 4.640 -0.000 0.000 0.235 424 D C -0.185 176.110 176.300 -0.009 0.000 1.158 424 D CA -0.300 53.727 54.000 0.045 0.000 0.990 424 D CB 0.501 41.361 40.800 0.100 0.000 1.094 424 D HN 0.237 nan 8.370 nan 0.000 0.486 425 V N -0.015 119.856 119.914 -0.072 0.000 3.206 425 V HA 0.353 4.473 4.120 -0.000 0.000 0.305 425 V C -1.548 174.444 176.094 -0.170 0.000 1.257 425 V CA -0.902 61.281 62.300 -0.196 0.000 1.057 425 V CB 2.853 34.385 31.823 -0.484 0.000 1.075 425 V HN 0.378 nan 8.190 nan 0.000 0.443 426 Q N 1.417 121.076 119.800 -0.235 0.000 2.320 426 Q HA 0.355 4.695 4.340 -0.000 0.000 0.268 426 Q C -1.807 174.090 176.000 -0.172 0.000 1.023 426 Q CA -0.506 55.230 55.803 -0.111 0.000 0.744 426 Q CB 1.244 29.962 28.738 -0.032 0.000 1.246 426 Q HN 0.672 nan 8.270 nan 0.000 0.462 427 W N 2.687 124.018 121.300 0.053 0.000 2.126 427 W HA 0.140 4.800 4.660 -0.000 0.000 0.346 427 W C 1.139 177.737 176.519 0.131 0.000 1.279 427 W CA -0.475 56.932 57.345 0.103 0.000 1.259 427 W CB 0.287 29.816 29.460 0.115 0.000 1.133 427 W HN 0.714 nan 8.180 nan 0.000 0.592 428 F N 2.399 122.517 119.950 0.280 0.000 2.091 428 F HA -0.318 4.209 4.527 -0.000 0.000 0.299 428 F C 2.194 178.100 175.800 0.176 0.000 1.103 428 F CA 2.392 60.504 58.000 0.186 0.000 1.228 428 F CB -0.197 38.912 39.000 0.182 0.000 0.984 428 F HN 0.387 nan 8.300 nan 0.000 0.477 429 D N -0.599 120.015 120.400 0.356 0.000 2.324 429 D HA 0.097 4.736 4.640 -0.000 0.000 0.235 429 D C 1.569 177.938 176.300 0.116 0.000 1.095 429 D CA 0.721 54.837 54.000 0.193 0.000 0.871 429 D CB -0.810 40.141 40.800 0.251 0.000 0.906 429 D HN 0.464 nan 8.370 nan 0.000 0.522 430 G N -0.053 108.830 108.800 0.137 0.000 2.179 430 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 430 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 430 G C 0.304 175.280 174.900 0.127 0.000 1.010 430 G CA 0.387 45.556 45.100 0.115 0.000 0.736 430 G HN 0.435 nan 8.290 nan 0.000 0.513 431 S N -0.094 115.698 115.700 0.153 0.000 2.584 431 S HA 0.327 4.797 4.470 -0.000 0.000 0.270 431 S C 0.436 175.093 174.600 0.096 0.000 1.346 431 S CA -0.054 58.171 58.200 0.041 0.000 1.018 431 S CB 1.078 64.203 63.200 -0.124 0.000 0.899 431 S HN 0.460 nan 8.310 nan 0.000 0.542 432 D N 1.470 121.887 120.400 0.029 0.000 2.371 432 D HA 0.175 4.815 4.640 -0.000 0.000 0.256 432 D C -1.681 174.689 176.300 0.117 0.000 1.193 432 D CA -2.000 52.048 54.000 0.081 0.000 0.881 432 D CB 1.077 41.905 40.800 0.046 0.000 1.143 432 D HN 0.055 nan 8.370 nan 0.000 0.473 433 P HA -0.145 nan 4.420 nan 0.000 0.216 433 P C 1.238 178.712 177.300 0.291 0.000 1.150 433 P CA 0.970 64.282 63.100 0.355 0.000 0.837 433 P CB 0.308 32.210 31.700 0.337 0.000 0.786 434 Q N -0.019 119.938 119.800 0.262 0.000 2.124 434 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 434 Q C 0.889 177.082 176.000 0.323 0.000 0.977 434 Q CA 1.311 57.325 55.803 0.351 0.000 0.850 434 Q CB -0.499 28.385 28.738 0.243 0.000 0.901 434 Q HN 0.434 nan 8.270 nan 0.000 0.429 438 N N 0.103 118.758 118.700 -0.076 0.000 2.220 438 N HA -0.095 4.644 4.740 -0.000 0.000 0.182 438 N C 1.725 177.345 175.510 0.184 0.000 1.023 438 N CA 1.430 54.514 53.050 0.056 0.000 0.856 438 N CB -0.535 38.097 38.487 0.243 0.000 0.997 438 N HN 0.481 nan 8.380 nan 0.000 0.429 439 H N -0.529 118.612 119.070 0.119 0.000 2.489 439 H HA -0.144 4.412 4.556 -0.000 0.000 0.293 439 H C 1.574 177.013 175.328 0.185 0.000 1.066 439 H CA 0.915 57.059 56.048 0.160 0.000 1.305 439 H CB 0.057 29.849 29.762 0.051 0.000 1.386 439 H HN 0.259 nan 8.280 nan 0.000 0.551 440 Y N 0.949 121.248 120.300 -0.002 0.000 2.207 440 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 440 Y C 2.583 178.544 175.900 0.103 0.000 1.156 440 Y CA 1.607 59.708 58.100 0.002 0.000 1.182 440 Y CB -0.418 38.032 38.460 -0.016 0.000 0.979 440 Y HN 0.260 nan 8.280 nan 0.000 0.521 441 A N -0.567 122.408 122.820 0.259 0.000 1.940 441 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 441 A C 2.097 179.748 177.584 0.112 0.000 1.176 441 A CA 1.815 54.007 52.037 0.257 0.000 0.631 441 A CB -1.470 17.679 19.000 0.249 0.000 0.814 441 A HN 0.725 nan 8.150 nan 0.000 0.446 442 Y N 0.328 120.573 120.300 -0.092 0.000 2.109 442 Y HA -0.157 4.393 4.550 -0.000 0.000 0.285 442 Y C 2.090 177.840 175.900 -0.250 0.000 1.131 442 Y CA 1.855 59.863 58.100 -0.154 0.000 1.121 442 Y CB -0.281 37.953 38.460 -0.377 0.000 0.987 442 Y HN 0.244 nan 8.280 nan 0.000 0.495 443 I N -0.585 119.846 120.570 -0.232 0.000 2.194 443 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 443 I C 2.259 178.098 176.117 -0.462 0.000 1.093 443 I CA 1.779 62.911 61.300 -0.279 0.000 1.355 443 I CB -0.666 37.225 38.000 -0.182 0.000 1.046 443 I HN 0.355 nan 8.210 nan 0.000 0.413 444 Y N 2.293 122.222 120.300 -0.620 0.000 2.114 444 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 444 Y C 2.320 177.874 175.900 -0.577 0.000 1.143 444 Y CA 1.562 59.244 58.100 -0.696 0.000 1.135 444 Y CB -0.800 37.428 38.460 -0.387 0.000 0.980 444 Y HN 0.200 nan 8.280 nan 0.000 0.499 445 N N 0.394 118.702 118.700 -0.653 0.000 2.331 445 N HA -0.156 4.584 4.740 -0.000 0.000 0.180 445 N C 1.868 176.812 175.510 -0.943 0.000 1.019 445 N CA 1.130 53.736 53.050 -0.739 0.000 0.881 445 N CB -0.213 38.008 38.487 -0.444 0.000 0.972 445 N HN 0.625 nan 8.380 nan 0.000 0.435 446 E N 1.307 120.836 120.200 -1.118 0.000 2.047 446 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 446 E C 2.067 178.252 176.600 -0.691 0.000 0.987 446 E CA 0.490 56.096 56.400 -1.322 0.000 0.799 446 E CB 0.029 29.184 29.700 -0.908 0.000 0.752 446 E HN 0.098 nan 8.360 nan 0.000 0.449 447 L N 1.169 122.053 121.223 -0.566 0.000 1.989 447 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 447 L C 2.331 179.004 176.870 -0.329 0.000 1.071 447 L CA 1.570 56.155 54.840 -0.425 0.000 0.749 447 L CB -1.006 40.699 42.059 -0.591 0.000 0.890 447 L HN 0.146 nan 8.230 nan 0.000 0.431 448 V N -0.572 119.126 119.914 -0.360 0.000 2.343 448 V HA -0.318 3.801 4.120 -0.000 0.000 0.247 448 V C 2.342 178.346 176.094 -0.151 0.000 1.051 448 V CA 2.059 64.206 62.300 -0.254 0.000 1.036 448 V CB -0.913 30.741 31.823 -0.282 0.000 0.654 448 V HN 0.679 nan 8.190 nan 0.000 0.451 449 W N 1.484 122.542 121.300 -0.404 0.000 2.358 449 W HA -0.183 4.477 4.660 -0.000 0.000 0.303 449 W C 2.099 178.502 176.519 -0.194 0.000 1.208 449 W CA 1.947 59.117 57.345 -0.293 0.000 1.274 449 W CB -0.495 28.664 29.460 -0.501 0.000 1.138 449 W HN 0.395 nan 8.180 nan 0.000 0.515 450 N N -0.002 118.655 118.700 -0.072 0.000 2.289 450 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 450 N C 1.688 177.120 175.510 -0.130 0.000 1.016 450 N CA 1.204 54.210 53.050 -0.074 0.000 0.872 450 N CB -0.118 38.330 38.487 -0.066 0.000 0.973 450 N HN -0.077 nan 8.380 nan 0.000 0.433 451 V N 0.915 120.742 119.914 -0.144 0.000 2.379 451 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 451 V C 2.026 178.054 176.094 -0.110 0.000 1.044 451 V CA 1.144 63.373 62.300 -0.118 0.000 1.036 451 V CB -0.232 31.516 31.823 -0.125 0.000 0.664 451 V HN 0.238 nan 8.190 nan 0.000 0.453 452 L N -0.041 121.090 121.223 -0.152 0.000 2.056 452 L HA -0.109 4.230 4.340 -0.000 0.000 0.207 452 L C 2.339 179.057 176.870 -0.254 0.000 1.078 452 L CA 1.772 56.500 54.840 -0.186 0.000 0.749 452 L CB -1.003 40.883 42.059 -0.289 0.000 0.901 452 L HN 0.268 nan 8.230 nan 0.000 0.433 453 K N -0.452 119.738 120.400 -0.349 0.000 2.103 453 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 453 K C 0.964 177.488 176.600 -0.126 0.000 1.048 453 K CA 1.611 57.744 56.287 -0.256 0.000 0.930 453 K CB 0.068 32.450 32.500 -0.197 0.000 0.716 453 K HN 0.319 nan 8.250 nan 0.000 0.444 454 D N -1.083 119.254 120.400 -0.106 0.000 2.339 454 D HA -0.029 4.610 4.640 -0.000 0.000 0.217 454 D C 1.334 177.596 176.300 -0.063 0.000 1.050 454 D CA 0.866 54.826 54.000 -0.068 0.000 0.856 454 D CB 0.766 41.531 40.800 -0.058 0.000 0.922 454 D HN 0.427 nan 8.370 nan 0.000 0.518 455 T N -2.937 111.573 114.554 -0.074 0.000 3.330 455 T HA 0.048 4.398 4.350 -0.000 0.000 0.240 455 T C 1.863 176.526 174.700 -0.061 0.000 0.988 455 T CA 0.068 62.131 62.100 -0.061 0.000 1.253 455 T CB -0.371 68.465 68.868 -0.054 0.000 1.163 455 T HN -0.097 nan 8.240 nan 0.000 0.382 456 V N 1.842 121.714 119.914 -0.070 0.000 3.129 456 V HA 0.458 4.578 4.120 -0.000 0.000 0.259 456 V C 1.463 177.528 176.094 -0.049 0.000 1.116 456 V CA 0.597 62.862 62.300 -0.059 0.000 1.127 456 V CB -1.282 30.508 31.823 -0.055 0.000 0.742 456 V HN 1.160 nan 8.190 nan 0.000 0.474 457 G N 0.345 109.102 108.800 -0.071 0.000 2.697 457 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 457 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 457 G C 0.196 175.043 174.900 -0.089 0.000 1.179 457 G CA 0.090 45.156 45.100 -0.056 0.000 0.765 457 G HN 0.253 nan 8.290 nan 0.000 0.649 458 E N 0.035 120.195 120.200 -0.066 0.000 2.118 458 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 458 E C 1.991 178.582 176.600 -0.014 0.000 0.992 458 E CA 1.650 58.011 56.400 -0.066 0.000 0.804 458 E CB -0.019 29.705 29.700 0.040 0.000 0.741 458 E HN 0.706 nan 8.360 nan 0.000 0.458 459 E N -0.269 119.950 120.200 0.031 0.000 2.338 459 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 459 E C 1.246 177.891 176.600 0.076 0.000 1.007 459 E CA 0.511 56.956 56.400 0.076 0.000 0.849 459 E CB 0.206 29.957 29.700 0.085 0.000 0.774 459 E HN 0.231 nan 8.360 nan 0.000 0.506 460 E N -0.240 119.986 120.200 0.042 0.000 2.498 460 E HA 0.136 4.486 4.350 -0.000 0.000 0.203 460 E C 0.007 176.624 176.600 0.027 0.000 1.013 460 E CA -0.090 56.380 56.400 0.115 0.000 0.927 460 E CB 0.756 30.549 29.700 0.156 0.000 1.012 460 E HN 0.058 nan 8.360 nan 0.000 0.482 461 A N 1.426 124.129 122.820 -0.195 0.000 2.450 461 A HA 0.388 4.708 4.320 -0.000 0.000 0.255 461 A C 0.186 177.620 177.584 -0.251 0.000 1.096 461 A CA -0.073 51.670 52.037 -0.490 0.000 0.778 461 A CB 0.231 18.388 19.000 -1.404 0.000 1.031 461 A HN -0.042 nan 8.150 nan 0.000 0.494 462 V N 2.268 122.155 119.914 -0.046 0.000 3.048 462 V HA 0.674 4.794 4.120 -0.000 0.000 0.303 462 V C -0.886 175.365 176.094 0.262 0.000 1.214 462 V CA -0.744 61.653 62.300 0.161 0.000 0.984 462 V CB 1.565 33.422 31.823 0.055 0.000 1.054 462 V HN 0.783 nan 8.190 nan 0.000 0.430 463 L N 2.068 123.453 121.223 0.269 0.000 2.359 463 L HA 0.722 5.061 4.340 -0.000 0.000 0.256 463 L C -1.441 175.521 176.870 0.154 0.000 1.026 463 L CA -0.327 54.646 54.840 0.223 0.000 0.828 463 L CB 2.264 44.425 42.059 0.170 0.000 1.406 463 L HN 0.629 nan 8.230 nan 0.000 0.413 464 F N 1.565 121.411 119.950 -0.174 0.000 2.564 464 F HA 0.698 5.225 4.527 -0.000 0.000 0.368 464 F C 0.125 175.789 175.800 -0.227 0.000 1.127 464 F CA -0.762 57.046 58.000 -0.319 0.000 1.170 464 F CB 1.139 39.842 39.000 -0.495 0.000 1.397 464 F HN 0.420 nan 8.300 nan 0.000 0.493 465 A N 3.704 126.419 122.820 -0.174 0.000 2.301 465 A HA 0.521 4.841 4.320 -0.000 0.000 0.312 465 A C 1.247 178.852 177.584 0.034 0.000 1.182 465 A CA -0.486 51.474 52.037 -0.129 0.000 0.826 465 A CB 0.879 19.700 19.000 -0.298 0.000 1.134 465 A HN 0.750 nan 8.150 nan 0.000 0.501 466 R N 1.210 121.761 120.500 0.085 0.000 2.189 466 R HA 0.096 4.436 4.340 -0.000 0.000 0.203 466 R C 0.570 176.910 176.300 0.066 0.000 1.012 466 R CA 0.989 57.129 56.100 0.067 0.000 1.015 466 R CB 0.201 30.491 30.300 -0.017 0.000 0.938 466 R HN 0.672 nan 8.270 nan 0.000 0.472 467 S N -0.877 114.917 115.700 0.156 0.000 2.664 467 S HA 0.775 5.245 4.470 -0.000 0.000 0.304 467 S C -1.241 173.518 174.600 0.264 0.000 1.099 467 S CA -0.263 58.073 58.200 0.227 0.000 1.003 467 S CB 1.867 65.227 63.200 0.266 0.000 1.092 467 S HN 0.354 nan 8.310 nan 0.000 0.525 468 A N 1.326 124.289 122.820 0.238 0.000 2.586 468 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 468 A C -0.785 176.947 177.584 0.247 0.000 1.062 468 A CA -0.513 51.682 52.037 0.263 0.000 0.666 468 A CB 1.157 20.247 19.000 0.150 0.000 1.281 468 A HN 1.010 nan 8.150 nan 0.000 0.421 469 S N -0.862 115.023 115.700 0.308 0.000 2.588 469 S HA 0.568 5.038 4.470 -0.000 0.000 0.269 469 S C -0.891 173.836 174.600 0.212 0.000 1.157 469 S CA -0.211 58.159 58.200 0.283 0.000 0.824 469 S CB 1.337 64.734 63.200 0.329 0.000 1.126 469 S HN 1.658 nan 8.310 nan 0.000 0.464 470 V N 3.117 123.022 119.914 -0.016 0.000 2.678 470 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 470 V C 1.833 177.781 176.094 -0.242 0.000 1.086 470 V CA 2.128 64.243 62.300 -0.308 0.000 1.246 470 V CB -0.220 30.957 31.823 -1.076 0.000 0.861 470 V HN 1.607 nan 8.190 nan 0.000 0.491 471 G N 4.128 112.767 108.800 -0.270 0.000 2.234 471 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.235 471 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.235 471 G C 0.961 175.808 174.900 -0.088 0.000 0.997 471 G CA 0.324 45.301 45.100 -0.205 0.000 0.623 471 G HN 1.445 nan 8.290 nan 0.000 0.514 472 A N 0.949 123.802 122.820 0.055 0.000 2.172 472 A HA 0.126 4.445 4.320 -0.000 0.000 0.216 472 A C 2.198 179.600 177.584 -0.302 0.000 1.154 472 A CA 2.117 54.169 52.037 0.026 0.000 0.701 472 A CB -0.356 18.872 19.000 0.379 0.000 0.789 472 A HN 0.973 nan 8.150 nan 0.000 0.465 473 Q N 0.459 119.820 119.800 -0.731 0.000 2.500 473 Q HA -0.106 4.234 4.340 -0.000 0.000 0.213 473 Q C 0.973 176.597 176.000 -0.626 0.000 0.974 473 Q CA 1.415 56.669 55.803 -0.915 0.000 0.918 473 Q CB -0.427 27.474 28.738 -1.395 0.000 0.980 473 Q HN 0.646 nan 8.270 nan 0.000 0.505 474 K N 0.231 120.080 120.400 -0.919 0.000 2.486 474 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 474 K C -0.239 175.518 176.600 -1.404 0.000 1.033 474 K CA 0.305 55.944 56.287 -1.080 0.000 1.004 474 K CB 0.195 31.961 32.500 -1.223 0.000 0.798 474 K HN 0.198 nan 8.250 nan 0.000 0.495 475 F N 1.359 120.868 119.950 -0.734 0.000 2.389 475 F HA 0.291 4.818 4.527 -0.000 0.000 0.327 475 F C -2.377 173.120 175.800 -0.506 0.000 1.204 475 F CA -2.793 54.526 58.000 -1.135 0.000 1.209 475 F CB 0.523 39.084 39.000 -0.732 0.000 1.460 475 F HN -0.299 nan 8.300 nan 0.000 0.537 476 P HA -0.117 nan 4.420 nan 0.000 0.267 476 P C -0.246 176.982 177.300 -0.120 0.000 1.175 476 P CA 0.594 63.663 63.100 -0.051 0.000 0.763 476 P CB 0.515 32.144 31.700 -0.118 0.000 0.795 477 V N 1.140 121.001 119.914 -0.089 0.000 3.434 477 V HA -0.195 3.925 4.120 -0.000 0.000 0.459 477 V C -0.438 175.421 176.094 -0.392 0.000 0.681 477 V CA 0.545 62.645 62.300 -0.333 0.000 1.967 477 V CB -2.155 29.274 31.823 -0.657 0.000 2.417 477 V HN 0.695 nan 8.190 nan 0.000 0.495 478 H N 3.054 122.044 119.070 -0.132 0.000 2.459 478 H HA 0.575 5.131 4.556 -0.000 0.000 0.332 478 H C -0.262 174.921 175.328 -0.243 0.000 1.094 478 H CA -0.174 55.825 56.048 -0.082 0.000 1.224 478 H CB 1.204 30.991 29.762 0.042 0.000 1.449 478 H HN 0.735 nan 8.280 nan 0.000 0.484 479 W N 3.730 124.777 121.300 -0.422 0.000 2.338 479 W HA 0.378 5.038 4.660 -0.000 0.000 0.307 479 W C 0.924 177.275 176.519 -0.279 0.000 1.167 479 W CA -0.812 56.192 57.345 -0.568 0.000 1.208 479 W CB 1.006 30.152 29.460 -0.523 0.000 1.228 479 W HN 0.774 nan 8.180 nan 0.000 0.499 480 G N 3.885 112.169 108.800 -0.859 0.000 2.776 480 G HA2 0.338 4.298 3.960 -0.000 0.000 0.209 480 G HA3 0.338 4.298 3.960 -0.000 0.000 0.209 480 G C 0.663 175.206 174.900 -0.595 0.000 1.145 480 G CA 0.452 45.350 45.100 -0.337 0.000 0.791 480 G HN 1.319 nan 8.290 nan 0.000 0.530 481 G N -0.393 107.366 108.800 -1.736 0.000 2.795 481 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.664 481 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.664 481 G C -0.910 173.428 174.900 -0.936 0.000 1.381 481 G CA -0.434 43.780 45.100 -1.477 0.000 0.853 481 G HN 0.196 nan 8.290 nan 0.000 0.545 482 D N -0.438 119.732 120.400 -0.383 0.000 2.255 482 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 482 D C 0.520 176.623 176.300 -0.328 0.000 1.078 482 D CA 0.423 54.325 54.000 -0.163 0.000 0.896 482 D CB 1.260 42.142 40.800 0.136 0.000 1.194 482 D HN 0.654 nan 8.370 nan 0.000 0.429 483 C N 1.330 120.381 119.300 -0.416 0.000 2.771 483 C HA 0.450 4.910 4.460 -0.000 0.000 0.333 483 C C -0.127 174.402 174.990 -0.768 0.000 1.267 483 C CA -0.914 57.874 59.018 -0.383 0.000 1.721 483 C CB 0.442 28.244 27.740 0.103 0.000 2.222 483 C HN 0.526 nan 8.230 nan 0.000 0.485 484 Y N 0.149 120.178 120.300 -0.451 0.000 2.316 484 Y HA 0.442 4.992 4.550 -0.000 0.000 0.324 484 Y C 0.886 176.750 175.900 -0.060 0.000 1.267 484 Y CA -0.174 57.710 58.100 -0.360 0.000 1.311 484 Y CB 0.617 38.974 38.460 -0.172 0.000 1.267 484 Y HN 0.759 nan 8.280 nan 0.000 0.516 485 A N 3.220 126.132 122.820 0.153 0.000 3.056 485 A HA 0.340 4.660 4.320 -0.000 0.000 0.274 485 A C -0.712 176.967 177.584 0.158 0.000 1.661 485 A CA -0.206 51.919 52.037 0.146 0.000 1.363 485 A CB -1.675 17.382 19.000 0.095 0.000 1.139 485 A HN 0.805 nan 8.150 nan 0.000 0.598 486 N N -2.059 116.780 118.700 0.231 0.000 2.823 486 N HA 0.322 5.062 4.740 -0.000 0.000 0.251 486 N C -0.059 175.517 175.510 0.110 0.000 1.392 486 N CA -0.821 52.274 53.050 0.074 0.000 0.864 486 N CB 0.357 38.914 38.487 0.116 0.000 1.481 486 N HN 0.014 nan 8.380 nan 0.000 0.508 487 Y N -0.496 119.953 120.300 0.250 0.000 2.242 487 Y HA -0.055 4.495 4.550 -0.000 0.000 0.291 487 Y C 1.446 177.435 175.900 0.148 0.000 1.137 487 Y CA 1.007 59.247 58.100 0.233 0.000 1.181 487 Y CB 0.088 38.716 38.460 0.280 0.000 0.989 487 Y HN 0.611 nan 8.280 nan 0.000 0.527 488 E N 0.364 120.702 120.200 0.230 0.000 2.077 488 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 488 E C 1.440 178.095 176.600 0.092 0.000 0.989 488 E CA 0.930 57.389 56.400 0.097 0.000 0.800 488 E CB -0.359 29.382 29.700 0.069 0.000 0.746 488 E HN 0.120 nan 8.360 nan 0.000 0.452 492 E N 0.613 120.853 120.200 0.066 0.000 2.077 492 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 492 E C 2.002 178.779 176.600 0.296 0.000 0.989 492 E CA 1.390 57.883 56.400 0.155 0.000 0.800 492 E CB -0.154 29.638 29.700 0.153 0.000 0.746 492 E HN 0.523 nan 8.360 nan 0.000 0.452 493 S N 0.979 116.869 115.700 0.316 0.000 2.365 493 S HA -0.181 4.288 4.470 -0.000 0.000 0.225 493 S C 1.995 176.799 174.600 0.340 0.000 1.039 493 S CA 1.161 59.648 58.200 0.479 0.000 1.033 493 S CB -0.203 63.362 63.200 0.609 0.000 0.887 493 S HN 0.226 nan 8.310 nan 0.000 0.447 494 L N 2.022 123.372 121.223 0.211 0.000 2.083 494 L HA 0.037 4.376 4.340 -0.000 0.000 0.209 494 L C 2.370 179.119 176.870 -0.201 0.000 1.083 494 L CA 1.738 56.578 54.840 0.002 0.000 0.752 494 L CB -0.754 41.230 42.059 -0.124 0.000 0.899 494 L HN 0.241 nan 8.230 nan 0.000 0.433 495 R N -0.541 119.892 120.500 -0.112 0.000 2.096 495 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 495 R C 2.182 178.295 176.300 -0.313 0.000 1.127 495 R CA 1.124 57.125 56.100 -0.164 0.000 0.968 495 R CB -0.890 29.360 30.300 -0.083 0.000 0.861 495 R HN 0.589 nan 8.270 nan 0.000 0.440 496 G N 0.263 108.856 108.800 -0.344 0.000 2.404 496 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 496 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 496 G C 1.514 175.910 174.900 -0.841 0.000 1.174 496 G CA 0.733 45.436 45.100 -0.661 0.000 0.780 496 G HN 0.441 nan 8.290 nan 0.000 0.537 497 G N 0.685 108.704 108.800 -1.301 0.000 2.432 497 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.219 497 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.219 497 G C 1.787 176.026 174.900 -1.102 0.000 1.135 497 G CA 0.630 44.356 45.100 -2.290 0.000 0.767 497 G HN 0.416 nan 8.290 nan 0.000 0.550 498 L N 0.509 121.315 121.223 -0.695 0.000 2.072 498 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 498 L C 3.156 179.822 176.870 -0.341 0.000 1.079 498 L CA 0.981 55.575 54.840 -0.409 0.000 0.752 498 L CB -0.297 41.606 42.059 -0.261 0.000 0.906 498 L HN 0.169 nan 8.230 nan 0.000 0.436 499 S N 0.049 115.528 115.700 -0.369 0.000 2.382 499 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 499 S C 1.954 176.381 174.600 -0.289 0.000 1.027 499 S CA 1.167 59.193 58.200 -0.291 0.000 0.991 499 S CB -0.218 62.788 63.200 -0.322 0.000 0.823 499 S HN 0.327 nan 8.310 nan 0.000 0.469 500 I N 1.405 121.733 120.570 -0.403 0.000 2.361 500 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 500 I C 2.273 178.303 176.117 -0.145 0.000 1.133 500 I CA 1.105 62.195 61.300 -0.349 0.000 1.413 500 I CB -0.537 37.177 38.000 -0.477 0.000 1.073 500 I HN 0.385 nan 8.210 nan 0.000 0.424 501 G N 0.863 109.545 108.800 -0.196 0.000 2.422 501 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.218 501 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.218 501 G C 1.395 176.246 174.900 -0.082 0.000 1.146 501 G CA 0.134 45.163 45.100 -0.117 0.000 0.769 501 G HN 0.274 nan 8.290 nan 0.000 0.547 502 L N 1.319 122.480 121.223 -0.104 0.000 2.622 502 L HA 0.156 4.496 4.340 -0.000 0.000 0.233 502 L C 1.409 178.296 176.870 0.029 0.000 1.156 502 L CA 0.964 55.765 54.840 -0.064 0.000 0.866 502 L CB -0.367 41.639 42.059 -0.088 0.000 0.980 502 L HN 0.121 nan 8.230 nan 0.000 0.448 503 S N -1.001 114.726 115.700 0.044 0.000 2.664 503 S HA 0.420 4.890 4.470 -0.000 0.000 0.245 503 S C 1.340 175.995 174.600 0.091 0.000 1.019 503 S CA 0.390 58.662 58.200 0.120 0.000 0.996 503 S CB 0.894 64.160 63.200 0.110 0.000 0.878 503 S HN 0.529 nan 8.310 nan 0.000 0.493 504 G N 1.269 110.071 108.800 0.005 0.000 2.175 504 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.244 504 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.244 504 G C -0.181 174.588 174.900 -0.218 0.000 0.982 504 G CA -0.497 44.564 45.100 -0.064 0.000 0.641 504 G HN 0.425 nan 8.290 nan 0.000 0.527 505 F N 1.196 121.052 119.950 -0.157 0.000 2.411 505 F HA 0.592 5.118 4.527 -0.000 0.000 0.350 505 F C 1.586 177.274 175.800 -0.186 0.000 1.114 505 F CA 0.103 58.002 58.000 -0.168 0.000 1.135 505 F CB 1.707 40.589 39.000 -0.197 0.000 1.120 505 F HN -0.000 nan 8.300 nan 0.000 0.495 506 G N 2.788 111.500 108.800 -0.146 0.000 2.551 506 G HA2 0.047 4.006 3.960 -0.000 0.000 0.216 506 G HA3 0.047 4.006 3.960 -0.000 0.000 0.216 506 G C -0.121 174.269 174.900 -0.851 0.000 1.137 506 G CA 0.324 45.116 45.100 -0.512 0.000 0.798 506 G HN 0.361 nan 8.290 nan 0.000 0.536 507 F N -2.216 117.811 119.950 0.128 0.000 2.576 507 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 507 F C -0.998 174.922 175.800 0.200 0.000 1.078 507 F CA -1.530 56.549 58.000 0.131 0.000 0.921 507 F CB 2.042 41.035 39.000 -0.012 0.000 1.232 507 F HN 0.003 nan 8.300 nan 0.000 0.459 508 W N 2.395 123.750 121.300 0.093 0.000 3.211 508 W HA 0.630 5.290 4.660 -0.000 0.000 0.335 508 W C -1.375 175.112 176.519 -0.054 0.000 1.113 508 W CA -0.952 56.374 57.345 -0.032 0.000 1.235 508 W CB 1.902 31.309 29.460 -0.087 0.000 1.365 508 W HN 0.580 nan 8.180 nan 0.000 0.476 509 S N 3.622 118.852 115.700 -0.784 0.000 2.607 509 S HA 0.910 5.380 4.470 -0.000 0.000 0.303 509 S C -0.865 173.120 174.600 -1.024 0.000 1.086 509 S CA -0.611 57.133 58.200 -0.760 0.000 0.995 509 S CB 2.177 64.748 63.200 -1.048 0.000 1.084 509 S HN 0.771 nan 8.310 nan 0.000 0.507 510 H N -1.596 116.985 119.070 -0.815 0.000 2.960 510 H HA 0.728 5.284 4.556 -0.000 0.000 0.323 510 H C -2.003 173.244 175.328 -0.135 0.000 1.326 510 H CA -1.161 54.490 56.048 -0.662 0.000 1.124 510 H CB 0.706 29.949 29.762 -0.865 0.000 1.853 510 H HN 0.453 nan 8.280 nan 0.000 0.536 511 D N 0.563 120.950 120.400 -0.022 0.000 2.163 511 D HA 0.333 4.973 4.640 -0.000 0.000 0.248 511 D C -0.275 175.868 176.300 -0.262 0.000 1.035 511 D CA -0.401 53.602 54.000 0.005 0.000 0.872 511 D CB 2.053 43.002 40.800 0.249 0.000 1.183 511 D HN 0.423 nan 8.370 nan 0.000 0.445 512 I N 2.182 122.609 120.570 -0.239 0.000 2.307 512 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 512 I C 1.043 176.980 176.117 -0.299 0.000 1.054 512 I CA -0.068 60.991 61.300 -0.402 0.000 1.218 512 I CB 0.325 38.167 38.000 -0.264 0.000 1.398 512 I HN 0.511 nan 8.210 nan 0.000 0.475 513 G N 3.987 112.498 108.800 -0.482 0.000 2.698 513 G HA2 0.197 4.157 3.960 -0.000 0.000 0.225 513 G HA3 0.197 4.157 3.960 -0.000 0.000 0.225 513 G C 0.124 174.953 174.900 -0.117 0.000 1.345 513 G CA -0.321 44.701 45.100 -0.130 0.000 0.871 513 G HN 1.476 nan 8.290 nan 0.000 0.540 514 G N -2.394 106.380 108.800 -0.043 0.000 2.963 514 G HA2 0.485 4.445 3.960 -0.000 0.000 0.262 514 G HA3 0.485 4.445 3.960 -0.000 0.000 0.262 514 G C -0.445 174.335 174.900 -0.201 0.000 1.043 514 G CA 0.444 45.320 45.100 -0.372 0.000 1.223 514 G HN 2.200 nan 8.290 nan 0.000 0.574 515 F N 0.014 119.827 119.950 -0.227 0.000 2.662 515 F HA 0.423 4.950 4.527 -0.000 0.000 0.319 515 F C -0.038 175.724 175.800 -0.064 0.000 1.079 515 F CA -0.986 56.903 58.000 -0.184 0.000 1.062 515 F CB 1.117 39.964 39.000 -0.255 0.000 1.299 515 F HN 0.337 nan 8.300 nan 0.000 0.487 516 E N 3.719 123.685 120.200 -0.390 0.000 2.458 516 E HA 0.276 4.626 4.350 -0.000 0.000 0.264 516 E C 0.474 177.077 176.600 0.004 0.000 1.097 516 E CA 1.097 57.395 56.400 -0.170 0.000 0.973 516 E CB 0.209 29.768 29.700 -0.235 0.000 0.963 516 E HN 0.726 nan 8.360 nan 0.000 0.451 517 N N -1.223 117.511 118.700 0.058 0.000 3.699 517 N HA -0.173 4.567 4.740 -0.000 0.000 0.253 517 N C -0.794 174.808 175.510 0.154 0.000 0.905 517 N CA 0.498 53.616 53.050 0.114 0.000 1.036 517 N CB -0.853 37.730 38.487 0.160 0.000 1.163 517 N HN 0.554 nan 8.380 nan 0.000 0.505 518 T N 0.464 115.121 114.554 0.170 0.000 2.698 518 T HA 0.578 4.928 4.350 -0.000 0.000 0.295 518 T C -0.135 174.667 174.700 0.169 0.000 1.007 518 T CA 0.546 62.757 62.100 0.184 0.000 0.980 518 T CB 1.012 69.973 68.868 0.154 0.000 1.036 518 T HN 0.950 nan 8.240 nan 0.000 0.526 519 A N 1.472 124.362 122.820 0.115 0.000 2.045 519 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 519 A C -3.166 174.398 177.584 -0.034 0.000 1.052 519 A CA -1.292 50.780 52.037 0.058 0.000 0.961 519 A CB -0.050 19.022 19.000 0.120 0.000 1.350 519 A HN 0.513 nan 8.150 nan 0.000 0.352 520 P HA 0.276 nan 4.420 nan 0.000 0.265 520 P C 1.330 178.438 177.300 -0.319 0.000 1.187 520 P CA 0.765 63.714 63.100 -0.252 0.000 0.766 520 P CB 0.954 32.319 31.700 -0.557 0.000 0.820 521 A N 3.522 126.225 122.820 -0.195 0.000 1.883 521 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 521 A C 1.897 179.294 177.584 -0.312 0.000 1.186 521 A CA 2.324 54.199 52.037 -0.271 0.000 0.624 521 A CB -1.873 17.094 19.000 -0.056 0.000 0.822 521 A HN 0.831 nan 8.150 nan 0.000 0.444 522 H N -1.475 117.536 119.070 -0.097 0.000 2.387 522 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 522 H C 1.589 177.051 175.328 0.224 0.000 1.090 522 H CA 1.442 57.503 56.048 0.022 0.000 1.332 522 H CB -0.945 29.038 29.762 0.368 0.000 1.386 522 H HN 0.127 nan 8.280 nan 0.000 0.516 523 V N 0.644 120.444 119.914 -0.191 0.000 2.295 523 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 523 V C 2.339 178.530 176.094 0.162 0.000 1.049 523 V CA 2.099 64.353 62.300 -0.076 0.000 1.024 523 V CB -0.938 30.694 31.823 -0.319 0.000 0.648 523 V HN 0.496 nan 8.190 nan 0.000 0.447 524 Y N 1.153 121.351 120.300 -0.170 0.000 2.207 524 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 524 Y C 2.481 178.340 175.900 -0.068 0.000 1.156 524 Y CA 1.944 59.913 58.100 -0.219 0.000 1.182 524 Y CB -0.147 37.847 38.460 -0.776 0.000 0.979 524 Y HN 0.172 nan 8.280 nan 0.000 0.521 525 K N -0.523 119.911 120.400 0.057 0.000 2.062 525 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 525 K C 2.119 178.848 176.600 0.215 0.000 1.051 525 K CA 0.991 57.334 56.287 0.093 0.000 0.941 525 K CB -0.066 32.396 32.500 -0.064 0.000 0.719 525 K HN 0.147 nan 8.250 nan 0.000 0.440 526 R N 0.300 121.001 120.500 0.335 0.000 2.096 526 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 526 R C 1.885 178.292 176.300 0.178 0.000 1.127 526 R CA 0.897 57.164 56.100 0.279 0.000 0.968 526 R CB -0.520 30.003 30.300 0.371 0.000 0.861 526 R HN 0.448 nan 8.270 nan 0.000 0.440 527 W N 0.748 122.081 121.300 0.054 0.000 2.402 527 W HA -0.136 4.524 4.660 -0.000 0.000 0.286 527 W C 1.931 178.412 176.519 -0.064 0.000 1.221 527 W CA 0.193 57.577 57.345 0.065 0.000 1.257 527 W CB -0.420 29.040 29.460 0.000 0.000 1.120 527 W HN 0.056 nan 8.180 nan 0.000 0.551 528 C N 0.111 119.438 119.300 0.045 0.000 2.432 528 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 528 C C 3.081 177.991 174.990 -0.133 0.000 1.249 528 C CA 1.784 60.754 59.018 -0.080 0.000 1.725 528 C CB -1.511 26.177 27.740 -0.087 0.000 2.028 528 C HN 0.355 nan 8.230 nan 0.000 0.477 529 A N -0.167 122.443 122.820 -0.350 0.000 1.858 529 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 529 A C 2.062 179.552 177.584 -0.157 0.000 1.190 529 A CA 1.882 53.421 52.037 -0.829 0.000 0.617 529 A CB -1.047 17.425 19.000 -0.880 0.000 0.827 529 A HN 0.643 nan 8.150 nan 0.000 0.443 530 F N 0.833 120.713 119.950 -0.116 0.000 2.095 530 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 530 F C 2.332 178.273 175.800 0.236 0.000 1.104 530 F CA 1.300 59.350 58.000 0.083 0.000 1.232 530 F CB -0.385 38.619 39.000 0.007 0.000 0.987 530 F HN 0.288 nan 8.300 nan 0.000 0.475 531 G N 1.204 110.019 108.800 0.026 0.000 2.459 531 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 531 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 531 G C 1.470 176.331 174.900 -0.064 0.000 1.183 531 G CA 0.924 45.871 45.100 -0.256 0.000 0.776 531 G HN 0.313 nan 8.290 nan 0.000 0.552 532 L N -0.234 121.020 121.223 0.052 0.000 2.141 532 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 532 L C 1.775 178.773 176.870 0.214 0.000 1.094 532 L CA 0.674 55.606 54.840 0.152 0.000 0.763 532 L CB -0.932 41.267 42.059 0.234 0.000 0.908 532 L HN 0.142 nan 8.230 nan 0.000 0.437 533 L N -0.077 121.296 121.223 0.250 0.000 2.922 533 L HA 0.133 4.473 4.340 -0.000 0.000 0.244 533 L C 0.429 177.552 176.870 0.422 0.000 1.324 533 L CA 0.412 55.456 54.840 0.340 0.000 1.172 533 L CB -1.129 41.144 42.059 0.356 0.000 1.545 533 L HN 0.049 nan 8.230 nan 0.000 0.438 534 S N -2.265 113.629 115.700 0.324 0.000 2.704 534 S HA 0.376 4.846 4.470 -0.000 0.000 0.296 534 S C 1.060 175.825 174.600 0.274 0.000 1.138 534 S CA -0.036 58.356 58.200 0.319 0.000 0.875 534 S CB 1.845 65.241 63.200 0.326 0.000 1.151 534 S HN 0.355 nan 8.310 nan 0.000 0.500 535 S N 0.557 116.434 115.700 0.295 0.000 2.356 535 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 535 S C 0.102 174.645 174.600 -0.095 0.000 1.032 535 S CA 1.170 59.550 58.200 0.299 0.000 1.005 535 S CB -0.504 63.013 63.200 0.528 0.000 0.867 535 S HN 0.744 nan 8.310 nan 0.000 0.449 536 H N 0.442 119.499 119.070 -0.022 0.000 2.589 536 H HA 0.726 5.282 4.556 -0.000 0.000 0.351 536 H C -0.958 174.302 175.328 -0.114 0.000 1.074 536 H CA -0.464 55.498 56.048 -0.143 0.000 1.203 536 H CB 2.019 31.564 29.762 -0.362 0.000 1.558 536 H HN 0.213 nan 8.280 nan 0.000 0.522 537 S N 2.976 118.699 115.700 0.039 0.000 2.536 537 S HA 0.637 5.107 4.470 -0.000 0.000 0.298 537 S C -0.638 174.028 174.600 0.111 0.000 1.083 537 S CA -1.082 57.118 58.200 -0.000 0.000 0.995 537 S CB 2.245 65.473 63.200 0.047 0.000 1.058 537 S HN 0.564 nan 8.310 nan 0.000 0.488 538 R N 2.059 122.597 120.500 0.062 0.000 2.515 538 R HA 0.366 4.706 4.340 -0.000 0.000 0.291 538 R C -1.711 174.661 176.300 0.121 0.000 1.046 538 R CA -0.513 55.685 56.100 0.162 0.000 0.914 538 R CB 0.975 31.382 30.300 0.178 0.000 1.191 538 R HN 0.707 nan 8.270 nan 0.000 0.435 539 L N 4.326 125.650 121.223 0.167 0.000 2.360 539 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 539 L C -0.377 176.617 176.870 0.208 0.000 1.121 539 L CA -0.134 54.815 54.840 0.182 0.000 0.845 539 L CB 0.570 42.771 42.059 0.236 0.000 1.143 539 L HN 0.539 nan 8.230 nan 0.000 0.452 540 H N 3.732 122.882 119.070 0.135 0.000 2.587 540 H HA 0.300 4.856 4.556 -0.000 0.000 0.325 540 H C -0.047 175.389 175.328 0.179 0.000 1.012 540 H CA -0.658 55.471 56.048 0.135 0.000 1.213 540 H CB 1.673 31.497 29.762 0.102 0.000 1.431 540 H HN 0.709 nan 8.280 nan 0.000 0.492 541 G N 3.295 112.356 108.800 0.435 0.000 2.340 541 G HA2 0.192 4.152 3.960 -0.000 0.000 0.245 541 G HA3 0.192 4.152 3.960 -0.000 0.000 0.245 541 G C 0.035 175.152 174.900 0.362 0.000 1.294 541 G CA -0.138 45.169 45.100 0.345 0.000 0.896 541 G HN 0.516 nan 8.290 nan 0.000 0.522 542 S N 1.298 117.142 115.700 0.239 0.000 2.651 542 S HA 0.362 4.832 4.470 -0.000 0.000 0.291 542 S C 1.530 176.202 174.600 0.120 0.000 1.141 542 S CA -0.571 57.729 58.200 0.166 0.000 1.027 542 S CB 1.504 64.811 63.200 0.177 0.000 1.043 542 S HN 0.674 nan 8.310 nan 0.000 0.530 543 K N 2.475 122.928 120.400 0.089 0.000 2.013 543 K HA -0.135 4.184 4.320 -0.000 0.000 0.225 543 K C 0.713 177.322 176.600 0.015 0.000 1.056 543 K CA 2.190 58.509 56.287 0.054 0.000 0.971 543 K CB -0.870 31.651 32.500 0.034 0.000 0.731 543 K HN 0.485 nan 8.250 nan 0.000 0.450 544 S N -0.912 114.804 115.700 0.027 0.000 2.499 544 S HA 0.365 4.834 4.470 -0.000 0.000 0.279 544 S C -1.374 173.220 174.600 -0.011 0.000 1.219 544 S CA -0.403 57.737 58.200 -0.100 0.000 1.062 544 S CB -0.218 62.945 63.200 -0.062 0.000 0.978 544 S HN 0.322 nan 8.310 nan 0.000 0.489 545 Y N 1.808 121.932 120.300 -0.293 0.000 2.883 545 Y HA -0.162 4.388 4.550 -0.000 0.000 0.071 545 Y C 1.088 176.835 175.900 -0.255 0.000 2.067 545 Y CA 0.750 58.567 58.100 -0.472 0.000 1.096 545 Y CB -1.552 36.247 38.460 -1.102 0.000 1.764 545 Y HN 0.835 nan 8.280 nan 0.000 0.309 546 R N 0.297 120.753 120.500 -0.073 0.000 2.290 546 R HA 0.446 4.786 4.340 -0.000 0.000 0.197 546 R C 0.198 176.525 176.300 0.044 0.000 0.913 546 R CA 0.758 56.886 56.100 0.047 0.000 1.040 546 R CB 0.652 31.001 30.300 0.082 0.000 0.992 546 R HN 0.358 nan 8.270 nan 0.000 0.500 547 V N -3.440 116.320 119.914 -0.256 0.000 2.914 547 V HA 0.475 4.595 4.120 -0.000 0.000 0.314 547 V C -2.324 173.454 176.094 -0.526 0.000 1.084 547 V CA -2.729 59.198 62.300 -0.621 0.000 0.963 547 V CB 2.391 33.242 31.823 -1.620 0.000 1.025 547 V HN -0.214 nan 8.190 nan 0.000 0.432 548 P HA -0.143 nan 4.420 nan 0.000 0.216 548 P C 1.178 178.547 177.300 0.114 0.000 1.157 548 P CA 2.530 65.668 63.100 0.062 0.000 0.880 548 P CB -0.125 31.759 31.700 0.306 0.000 0.791 549 W N -1.049 120.330 121.300 0.130 0.000 2.848 549 W HA 0.298 4.958 4.660 -0.000 0.000 0.241 549 W C 1.642 178.217 176.519 0.094 0.000 1.289 549 W CA 0.401 57.809 57.345 0.105 0.000 1.396 549 W CB -1.625 27.872 29.460 0.061 0.000 1.138 549 W HN -0.137 nan 8.180 nan 0.000 0.677 550 A N -0.023 122.726 122.820 -0.118 0.000 2.014 550 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 550 A C 1.515 179.153 177.584 0.089 0.000 1.163 550 A CA 0.982 52.959 52.037 -0.100 0.000 0.652 550 A CB -0.786 18.056 19.000 -0.264 0.000 0.808 550 A HN 0.460 nan 8.150 nan 0.000 0.449 551 Y N 0.695 121.074 120.300 0.132 0.000 2.159 551 Y HA 0.179 4.729 4.550 -0.000 0.000 0.285 551 Y C 0.836 176.794 175.900 0.097 0.000 1.106 551 Y CA 1.007 59.155 58.100 0.080 0.000 1.095 551 Y CB 0.035 38.346 38.460 -0.249 0.000 1.015 551 Y HN 0.574 nan 8.280 nan 0.000 0.491 552 D N -3.585 116.977 120.400 0.270 0.000 2.779 552 D HA 0.113 4.753 4.640 -0.000 0.000 0.331 552 D C -0.458 175.974 176.300 0.220 0.000 1.331 552 D CA -0.465 53.656 54.000 0.202 0.000 0.866 552 D CB 0.129 41.018 40.800 0.149 0.000 1.409 552 D HN -0.190 nan 8.370 nan 0.000 0.486 553 D N -0.499 120.011 120.400 0.184 0.000 2.194 553 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 553 D C 1.435 177.840 176.300 0.176 0.000 0.964 553 D CA 0.921 55.031 54.000 0.183 0.000 0.846 553 D CB 0.103 40.979 40.800 0.127 0.000 0.962 553 D HN 0.654 nan 8.370 nan 0.000 0.490 554 E N 0.706 120.996 120.200 0.151 0.000 2.077 554 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 554 E C 1.806 178.508 176.600 0.170 0.000 0.989 554 E CA 1.074 57.563 56.400 0.149 0.000 0.800 554 E CB 0.159 29.936 29.700 0.130 0.000 0.746 554 E HN -0.034 nan 8.360 nan 0.000 0.452 555 S N -0.027 115.765 115.700 0.155 0.000 2.387 555 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 555 S C 2.065 176.846 174.600 0.302 0.000 1.035 555 S CA 1.094 59.420 58.200 0.209 0.000 1.014 555 S CB -0.544 62.747 63.200 0.152 0.000 0.836 555 S HN 0.526 nan 8.310 nan 0.000 0.466 556 C N 1.926 121.406 119.300 0.299 0.000 2.440 556 C HA -0.065 4.395 4.460 -0.000 0.000 0.278 556 C C 2.200 177.349 174.990 0.264 0.000 1.295 556 C CA 0.647 59.863 59.018 0.330 0.000 1.738 556 C CB -1.328 26.627 27.740 0.359 0.000 1.987 556 C HN 0.502 nan 8.230 nan 0.000 0.492 557 D N 0.215 120.748 120.400 0.222 0.000 2.149 557 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 557 D C 2.303 178.752 176.300 0.248 0.000 0.972 557 D CA 1.122 55.238 54.000 0.194 0.000 0.835 557 D CB -0.449 40.439 40.800 0.146 0.000 0.966 557 D HN 0.367 nan 8.370 nan 0.000 0.476 558 V N 1.070 121.159 119.914 0.292 0.000 2.287 558 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 558 V C 2.688 179.084 176.094 0.504 0.000 1.053 558 V CA 1.151 63.705 62.300 0.423 0.000 1.027 558 V CB -0.453 31.612 31.823 0.403 0.000 0.646 558 V HN 0.058 nan 8.190 nan 0.000 0.447 559 V N -0.226 119.914 119.914 0.377 0.000 2.515 559 V HA -0.238 3.881 4.120 -0.000 0.000 0.250 559 V C 2.517 178.792 176.094 0.302 0.000 1.058 559 V CA 2.291 64.794 62.300 0.337 0.000 1.064 559 V CB -0.776 31.226 31.823 0.299 0.000 0.675 559 V HN 0.495 nan 8.190 nan 0.000 0.461 560 R N -0.756 119.901 120.500 0.262 0.000 2.073 560 R HA -0.149 4.191 4.340 -0.000 0.000 0.229 560 R C 2.295 178.681 176.300 0.144 0.000 1.120 560 R CA 1.675 57.887 56.100 0.186 0.000 0.967 560 R CB -0.367 30.026 30.300 0.155 0.000 0.862 560 R HN 0.442 nan 8.270 nan 0.000 0.436 561 F N 0.577 120.515 119.950 -0.020 0.000 2.069 561 F HA -0.204 4.322 4.527 -0.000 0.000 0.298 561 F C 1.536 177.134 175.800 -0.337 0.000 1.113 561 F CA 1.788 59.637 58.000 -0.251 0.000 1.214 561 F CB -0.411 38.328 39.000 -0.435 0.000 0.978 561 F HN -0.031 nan 8.300 nan 0.000 0.474 562 F N -0.350 119.648 119.950 0.079 0.000 2.407 562 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 562 F C 2.400 178.187 175.800 -0.022 0.000 1.097 562 F CA 1.358 59.337 58.000 -0.035 0.000 1.422 562 F CB -1.105 37.984 39.000 0.148 0.000 1.067 562 F HN -0.130 nan 8.300 nan 0.000 0.539 563 T N -0.725 113.940 114.554 0.184 0.000 2.857 563 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 563 T C 1.875 176.629 174.700 0.090 0.000 1.048 563 T CA 1.118 63.326 62.100 0.180 0.000 1.139 563 T CB -0.179 68.820 68.868 0.219 0.000 0.874 563 T HN 0.321 nan 8.240 nan 0.000 0.455 564 Q N 0.263 120.046 119.800 -0.029 0.000 2.083 564 Q HA 0.029 4.369 4.340 -0.000 0.000 0.198 564 Q C 2.321 178.225 176.000 -0.160 0.000 0.969 564 Q CA 0.848 56.598 55.803 -0.089 0.000 0.838 564 Q CB -0.326 28.316 28.738 -0.159 0.000 0.900 564 Q HN 0.310 nan 8.270 nan 0.000 0.436 565 L N 1.525 122.548 121.223 -0.333 0.000 2.012 565 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 565 L C 2.213 179.036 176.870 -0.079 0.000 1.073 565 L CA 1.922 56.557 54.840 -0.342 0.000 0.748 565 L CB -0.377 41.340 42.059 -0.571 0.000 0.891 565 L HN 0.024 nan 8.230 nan 0.000 0.431 566 K N -1.278 119.136 120.400 0.024 0.000 2.057 566 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 566 K C 2.107 178.781 176.600 0.123 0.000 1.049 566 K CA 1.828 58.183 56.287 0.115 0.000 0.931 566 K CB -0.331 32.272 32.500 0.171 0.000 0.714 566 K HN 0.531 nan 8.250 nan 0.000 0.440 567 C N 0.929 120.305 119.300 0.127 0.000 2.422 567 C HA 0.013 4.473 4.460 -0.000 0.000 0.279 567 C C 1.535 176.678 174.990 0.255 0.000 1.305 567 C CA 0.006 59.145 59.018 0.202 0.000 1.757 567 C CB -0.911 26.933 27.740 0.173 0.000 1.962 567 C HN 0.419 nan 8.230 nan 0.000 0.499 572 Y N 0.910 121.048 120.300 -0.269 0.000 2.130 572 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 572 Y C 1.901 177.694 175.900 -0.178 0.000 1.124 572 Y CA 1.143 59.151 58.100 -0.153 0.000 1.118 572 Y CB -0.473 37.945 38.460 -0.070 0.000 0.994 572 Y HN -0.210 nan 8.280 nan 0.000 0.497 573 L N 0.109 121.136 121.223 -0.327 0.000 2.021 573 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 573 L C 2.328 178.928 176.870 -0.450 0.000 1.074 573 L CA 1.930 56.538 54.840 -0.386 0.000 0.760 573 L CB -1.708 40.262 42.059 -0.149 0.000 0.889 573 L HN 0.461 nan 8.230 nan 0.000 0.433 574 Y N -0.377 119.508 120.300 -0.692 0.000 2.293 574 Y HA -0.281 4.269 4.550 -0.000 0.000 0.291 574 Y C 2.759 178.405 175.900 -0.423 0.000 1.137 574 Y CA 1.358 59.038 58.100 -0.700 0.000 1.202 574 Y CB 0.052 37.901 38.460 -1.019 0.000 0.990 574 Y HN 0.102 nan 8.280 nan 0.000 0.537 575 R N 0.776 121.066 120.500 -0.349 0.000 2.115 575 R HA -0.110 4.230 4.340 -0.000 0.000 0.226 575 R C 1.754 177.890 176.300 -0.273 0.000 1.100 575 R CA 1.685 57.637 56.100 -0.246 0.000 0.980 575 R CB -0.345 29.859 30.300 -0.159 0.000 0.875 575 R HN 0.190 nan 8.270 nan 0.000 0.445 576 E N 0.231 120.211 120.200 -0.367 0.000 2.152 576 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 576 E C 1.814 178.294 176.600 -0.200 0.000 0.983 576 E CA 1.262 57.480 56.400 -0.304 0.000 0.818 576 E CB -0.373 29.082 29.700 -0.409 0.000 0.758 576 E HN 0.437 nan 8.360 nan 0.000 0.467 577 A N 1.269 123.966 122.820 -0.205 0.000 2.019 577 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 577 A C 2.338 179.908 177.584 -0.023 0.000 1.164 577 A CA 1.691 53.739 52.037 0.019 0.000 0.644 577 A CB -0.356 18.598 19.000 -0.078 0.000 0.805 577 A HN 0.243 nan 8.150 nan 0.000 0.449 578 A N -0.127 122.575 122.820 -0.197 0.000 1.968 578 A HA -0.076 4.243 4.320 -0.000 0.000 0.217 578 A C 2.188 179.731 177.584 -0.069 0.000 1.169 578 A CA 1.144 53.106 52.037 -0.125 0.000 0.638 578 A CB -0.386 18.534 19.000 -0.133 0.000 0.812 578 A HN 0.539 nan 8.150 nan 0.000 0.446 579 R N -0.280 120.163 120.500 -0.095 0.000 2.105 579 R HA -0.116 4.223 4.340 -0.000 0.000 0.239 579 R C 2.442 178.687 176.300 -0.092 0.000 1.135 579 R CA 1.202 57.248 56.100 -0.090 0.000 0.967 579 R CB -0.493 29.744 30.300 -0.105 0.000 0.861 579 R HN 0.505 nan 8.270 nan 0.000 0.442 580 A N 1.658 124.412 122.820 -0.111 0.000 1.908 580 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 580 A C 2.002 179.548 177.584 -0.063 0.000 1.181 580 A CA 1.674 53.611 52.037 -0.166 0.000 0.627 580 A CB -0.760 17.988 19.000 -0.421 0.000 0.818 580 A HN 0.421 nan 8.150 nan 0.000 0.445 581 N N 0.040 118.758 118.700 0.031 0.000 2.216 581 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 581 N C 1.767 177.265 175.510 -0.020 0.000 1.017 581 N CA 1.361 54.432 53.050 0.036 0.000 0.861 581 N CB -0.138 38.390 38.487 0.068 0.000 0.986 581 N HN 0.379 nan 8.380 nan 0.000 0.428 582 A N 0.422 123.222 122.820 -0.033 0.000 1.997 582 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 582 A C 1.878 179.428 177.584 -0.056 0.000 1.178 582 A CA 0.420 52.433 52.037 -0.041 0.000 0.698 582 A CB 0.199 19.178 19.000 -0.036 0.000 0.842 582 A HN 0.156 nan 8.150 nan 0.000 0.458 583 R N -1.620 118.840 120.500 -0.067 0.000 2.476 583 R HA 0.225 4.564 4.340 -0.000 0.000 0.276 583 R C 1.055 177.303 176.300 -0.087 0.000 0.941 583 R CA 0.634 56.691 56.100 -0.073 0.000 1.088 583 R CB -0.064 30.194 30.300 -0.069 0.000 1.216 583 R HN 0.776 nan 8.270 nan 0.000 0.533 584 G N 1.716 110.454 108.800 -0.104 0.000 2.153 584 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 584 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 584 G C 0.015 174.834 174.900 -0.134 0.000 0.994 584 G CA 0.795 45.818 45.100 -0.128 0.000 0.698 584 G HN 0.239 nan 8.290 nan 0.000 0.521 585 T N 3.455 117.930 114.554 -0.132 0.000 2.761 585 T HA 0.483 4.832 4.350 -0.000 0.000 0.296 585 T C -1.198 173.393 174.700 -0.182 0.000 0.934 585 T CA -0.321 61.700 62.100 -0.132 0.000 1.091 585 T CB 2.080 70.880 68.868 -0.113 0.000 0.896 585 T HN 0.338 nan 8.240 nan 0.000 0.515 595 F N 1.133 121.088 119.950 0.008 0.000 2.523 595 F HA 0.433 4.960 4.527 -0.000 0.000 0.322 595 F C -1.994 173.802 175.800 -0.006 0.000 1.361 595 F CA -1.744 56.273 58.000 0.028 0.000 1.151 595 F CB 1.461 40.507 39.000 0.077 0.000 1.391 595 F HN -0.054 nan 8.300 nan 0.000 0.566 596 P HA -0.145 nan 4.420 nan 0.000 0.218 596 P C 1.044 178.369 177.300 0.041 0.000 1.148 596 P CA 1.420 64.525 63.100 0.009 0.000 0.822 596 P CB 0.354 32.036 31.700 -0.030 0.000 0.784 597 D N -1.280 119.162 120.400 0.071 0.000 2.277 597 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 597 D C 0.438 176.790 176.300 0.086 0.000 0.962 597 D CA 0.840 54.884 54.000 0.072 0.000 0.865 597 D CB -0.420 40.425 40.800 0.075 0.000 0.939 597 D HN 0.180 nan 8.370 nan 0.000 0.510 598 D N 0.629 121.102 120.400 0.123 0.000 2.336 598 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 598 D C -1.657 174.660 176.300 0.028 0.000 1.213 598 D CA -2.041 52.018 54.000 0.099 0.000 0.870 598 D CB 1.798 42.691 40.800 0.156 0.000 1.076 598 D HN -0.117 nan 8.370 nan 0.000 0.483 599 P HA -0.084 nan 4.420 nan 0.000 0.219 599 P C 0.769 178.039 177.300 -0.050 0.000 1.146 599 P CA 0.864 63.962 63.100 -0.003 0.000 0.808 599 P CB 0.269 31.976 31.700 0.012 0.000 0.779 600 A N -1.603 121.119 122.820 -0.163 0.000 2.119 600 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 600 A C 1.932 179.268 177.584 -0.412 0.000 1.152 600 A CA 0.925 52.732 52.037 -0.384 0.000 0.708 600 A CB -1.364 17.094 19.000 -0.903 0.000 0.805 600 A HN 0.243 nan 8.150 nan 0.000 0.460 601 C N -0.304 118.853 119.300 -0.239 0.000 2.696 601 C HA 0.080 4.540 4.460 -0.000 0.000 0.264 601 C C 1.768 176.730 174.990 -0.047 0.000 1.288 601 C CA -0.075 58.865 59.018 -0.132 0.000 1.717 601 C CB -0.876 26.855 27.740 -0.016 0.000 1.893 601 C HN 0.551 nan 8.230 nan 0.000 0.577 602 D N 1.038 121.412 120.400 -0.043 0.000 2.133 602 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 602 D C 1.146 177.323 176.300 -0.204 0.000 0.997 602 D CA 1.767 55.697 54.000 -0.115 0.000 0.840 602 D CB -0.177 40.492 40.800 -0.217 0.000 0.947 602 D HN 0.595 nan 8.370 nan 0.000 0.452 603 Y N -0.644 119.688 120.300 0.053 0.000 2.467 603 Y HA 0.193 4.742 4.550 -0.000 0.000 0.250 603 Y C 0.172 176.106 175.900 0.056 0.000 1.155 603 Y CA -0.741 57.389 58.100 0.051 0.000 1.249 603 Y CB 0.361 38.828 38.460 0.012 0.000 1.146 603 Y HN -0.179 nan 8.280 nan 0.000 0.524 604 L N 2.869 124.181 121.223 0.148 0.000 2.584 604 L HA -0.030 4.309 4.340 -0.000 0.000 0.272 604 L C 0.789 177.712 176.870 0.088 0.000 1.195 604 L CA 0.491 55.394 54.840 0.106 0.000 0.920 604 L CB -0.031 42.034 42.059 0.010 0.000 1.173 604 L HN 0.401 nan 8.230 nan 0.000 0.489 605 D N 1.326 121.777 120.400 0.085 0.000 2.497 605 D HA 0.021 4.660 4.640 -0.000 0.000 0.256 605 D C 0.935 177.252 176.300 0.029 0.000 1.273 605 D CA -0.102 53.924 54.000 0.043 0.000 0.812 605 D CB 0.295 41.107 40.800 0.021 0.000 1.190 605 D HN 0.468 nan 8.370 nan 0.000 0.524 606 R N 0.553 121.093 120.500 0.067 0.000 2.432 606 R HA 0.200 4.540 4.340 -0.000 0.000 0.260 606 R C 0.500 176.923 176.300 0.206 0.000 0.935 606 R CA 0.114 56.275 56.100 0.102 0.000 1.080 606 R CB 0.736 31.064 30.300 0.047 0.000 1.155 606 R HN 0.406 nan 8.270 nan 0.000 0.531 607 Q N -0.214 119.683 119.800 0.161 0.000 2.626 607 Q HA 0.450 4.790 4.340 -0.000 0.000 0.300 607 Q C -1.331 174.804 176.000 0.226 0.000 0.988 607 Q CA -1.129 54.743 55.803 0.117 0.000 0.761 607 Q CB 1.743 30.468 28.738 -0.021 0.000 1.494 607 Q HN 0.023 nan 8.270 nan 0.000 0.439 611 G N 3.161 112.052 108.800 0.152 0.000 2.760 611 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 611 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 611 G C 0.136 175.127 174.900 0.151 0.000 1.359 611 G CA -0.007 45.131 45.100 0.063 0.000 0.861 611 G HN 0.553 nan 8.290 nan 0.000 0.541 612 D N 0.214 120.697 120.400 0.138 0.000 2.144 612 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 612 D C 2.106 178.494 176.300 0.146 0.000 0.978 612 D CA 1.787 55.853 54.000 0.110 0.000 0.833 612 D CB -0.098 40.744 40.800 0.070 0.000 0.961 612 D HN 0.495 nan 8.370 nan 0.000 0.470 613 N N -0.826 118.004 118.700 0.215 0.000 2.184 613 N HA 0.102 4.842 4.740 -0.000 0.000 0.206 613 N C -0.128 175.401 175.510 0.032 0.000 1.151 613 N CA -0.086 52.995 53.050 0.053 0.000 0.878 613 N CB 1.481 39.921 38.487 -0.079 0.000 1.014 613 N HN -0.093 nan 8.380 nan 0.000 0.512 617 A N 5.158 127.729 122.820 -0.416 0.000 2.646 617 A HA 0.883 5.203 4.320 -0.000 0.000 0.312 617 A C -2.899 174.538 177.584 -0.245 0.000 1.245 617 A CA -1.604 50.258 52.037 -0.292 0.000 0.755 617 A CB 1.035 19.805 19.000 -0.383 0.000 1.132 617 A HN 0.553 nan 8.150 nan 0.000 0.458 618 P HA 0.130 nan 4.420 nan 0.000 0.266 618 P C -0.188 176.798 177.300 -0.524 0.000 1.193 618 P CA 0.176 63.019 63.100 -0.428 0.000 0.770 618 P CB 0.775 32.030 31.700 -0.741 0.000 0.836 619 V N 4.396 124.042 119.914 -0.447 0.000 2.406 619 V HA 0.147 4.267 4.120 -0.000 0.000 0.272 619 V C 0.489 176.290 176.094 -0.488 0.000 1.043 619 V CA 0.326 62.443 62.300 -0.305 0.000 0.915 619 V CB -0.081 31.655 31.823 -0.145 0.000 0.988 619 V HN 0.457 nan 8.190 nan 0.000 0.466 620 F N 2.850 122.648 119.950 -0.253 0.000 2.750 620 F HA 0.284 4.810 4.527 -0.000 0.000 0.297 620 F C 1.068 176.309 175.800 -0.931 0.000 1.138 620 F CA -0.215 57.488 58.000 -0.495 0.000 1.346 620 F CB 0.424 39.280 39.000 -0.240 0.000 0.965 620 F HN 0.603 nan 8.300 nan 0.000 0.514 621 T N -4.907 109.265 114.554 -0.637 0.000 2.883 621 T HA 0.273 4.622 4.350 -0.000 0.000 0.301 621 T C 0.636 175.200 174.700 -0.225 0.000 1.158 621 T CA -0.705 61.112 62.100 -0.471 0.000 1.007 621 T CB 2.279 71.055 68.868 -0.153 0.000 1.186 621 T HN 0.144 nan 8.240 nan 0.000 0.499 622 E N 0.671 120.842 120.200 -0.049 0.000 2.072 622 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 622 E C 2.284 178.874 176.600 -0.017 0.000 0.982 622 E CA 1.108 57.502 56.400 -0.011 0.000 0.803 622 E CB -0.446 29.044 29.700 -0.351 0.000 0.755 622 E HN 0.780 nan 8.360 nan 0.000 0.453 623 A N 0.166 122.961 122.820 -0.042 0.000 1.978 623 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 623 A C 1.988 179.524 177.584 -0.080 0.000 1.170 623 A CA 1.859 53.870 52.037 -0.043 0.000 0.636 623 A CB -0.703 18.284 19.000 -0.022 0.000 0.810 623 A HN 0.587 nan 8.150 nan 0.000 0.448 624 G N -1.556 107.198 108.800 -0.077 0.000 2.184 624 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.206 624 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.206 624 G C -0.366 174.552 174.900 0.031 0.000 0.995 624 G CA 0.116 45.179 45.100 -0.060 0.000 0.651 624 G HN 0.486 nan 8.290 nan 0.000 0.511 625 D N 0.324 120.737 120.400 0.022 0.000 2.424 625 D HA 0.452 5.092 4.640 -0.000 0.000 0.244 625 D C -0.022 176.336 176.300 0.097 0.000 1.134 625 D CA 0.702 54.742 54.000 0.065 0.000 0.881 625 D CB 2.387 43.208 40.800 0.036 0.000 1.191 625 D HN 0.454 nan 8.370 nan 0.000 0.445 626 V N 2.032 122.049 119.914 0.172 0.000 2.969 626 V HA 0.240 4.360 4.120 -0.000 0.000 0.304 626 V C -1.730 174.557 176.094 0.321 0.000 1.192 626 V CA -0.577 61.856 62.300 0.221 0.000 0.962 626 V CB 2.305 34.242 31.823 0.190 0.000 1.045 626 V HN 0.471 nan 8.190 nan 0.000 0.428 627 Q N 5.433 125.442 119.800 0.348 0.000 2.353 627 Q HA 0.755 5.094 4.340 -0.000 0.000 0.268 627 Q C -1.546 174.806 176.000 0.587 0.000 1.045 627 Q CA -0.483 55.558 55.803 0.396 0.000 0.811 627 Q CB 2.701 31.607 28.738 0.279 0.000 1.305 627 Q HN 0.739 nan 8.270 nan 0.000 0.447 628 F N -1.019 119.089 119.950 0.263 0.000 2.668 628 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 628 F C -1.806 173.685 175.800 -0.515 0.000 1.117 628 F CA -1.469 56.443 58.000 -0.147 0.000 0.951 628 F CB 0.870 39.764 39.000 -0.177 0.000 1.323 628 F HN 0.483 nan 8.300 nan 0.000 0.451 629 Y N 2.526 122.135 120.300 -1.152 0.000 2.361 629 Y HA 0.774 5.324 4.550 -0.000 0.000 0.332 629 Y C -1.551 173.907 175.900 -0.735 0.000 1.101 629 Y CA -1.251 56.080 58.100 -1.281 0.000 1.137 629 Y CB 1.445 38.903 38.460 -1.670 0.000 1.207 629 Y HN 0.760 nan 8.280 nan 0.000 0.463 630 L N 8.599 128.909 121.223 -1.521 0.000 2.349 630 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 630 L C -2.390 173.617 176.870 -1.439 0.000 0.996 630 L CA -2.159 51.870 54.840 -1.352 0.000 0.825 630 L CB 2.043 43.453 42.059 -1.082 0.000 1.243 630 L HN 0.559 nan 8.230 nan 0.000 0.412 631 P HA -0.010 nan 4.420 nan 0.000 0.271 631 P C -0.486 176.746 177.300 -0.114 0.000 1.244 631 P CA -0.419 62.361 63.100 -0.534 0.000 0.793 631 P CB 0.488 31.554 31.700 -1.058 0.000 0.984 632 E N 0.373 120.582 120.200 0.015 0.000 2.508 632 E HA 0.222 4.572 4.350 -0.000 0.000 0.266 632 E C 0.269 176.978 176.600 0.181 0.000 1.010 632 E CA 0.924 57.382 56.400 0.097 0.000 0.955 632 E CB -0.300 29.464 29.700 0.106 0.000 0.946 632 E HN 0.658 nan 8.360 nan 0.000 0.454 633 G N 2.506 111.382 108.800 0.127 0.000 2.423 633 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.684 633 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.684 633 G C -1.145 173.812 174.900 0.095 0.000 1.309 633 G CA -0.363 44.762 45.100 0.041 0.000 0.950 633 G HN 0.636 nan 8.290 nan 0.000 0.587 634 R N -0.111 120.372 120.500 -0.029 0.000 2.239 634 R HA 0.566 4.905 4.340 -0.000 0.000 0.332 634 R C -0.681 175.626 176.300 0.011 0.000 0.988 634 R CA -0.739 55.397 56.100 0.060 0.000 0.859 634 R CB 0.398 30.717 30.300 0.031 0.000 1.148 634 R HN 0.477 nan 8.270 nan 0.000 0.482 635 W N 2.257 123.546 121.300 -0.018 0.000 2.375 635 W HA 0.383 5.043 4.660 -0.000 0.000 0.336 635 W C -0.049 176.578 176.519 0.180 0.000 1.160 635 W CA -0.250 57.119 57.345 0.041 0.000 1.266 635 W CB 1.668 31.120 29.460 -0.013 0.000 1.195 635 W HN 0.323 nan 8.180 nan 0.000 0.599 636 T N 1.573 116.371 114.554 0.406 0.000 2.848 636 T HA 0.090 4.439 4.350 -0.000 0.000 0.285 636 T C -0.747 174.002 174.700 0.082 0.000 0.995 636 T CA -0.647 61.648 62.100 0.325 0.000 0.970 636 T CB 0.980 70.064 68.868 0.360 0.000 0.976 636 T HN 0.278 nan 8.240 nan 0.000 0.441 637 H N 3.365 122.297 119.070 -0.230 0.000 2.929 637 H HA 0.063 4.619 4.556 -0.000 0.000 0.317 637 H C 1.039 176.120 175.328 -0.412 0.000 1.031 637 H CA -0.503 55.079 56.048 -0.777 0.000 1.466 637 H CB 0.760 30.062 29.762 -0.766 0.000 1.482 637 H HN 0.527 nan 8.280 nan 0.000 0.561 638 L N 6.245 127.136 121.223 -0.553 0.000 2.064 638 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 638 L C 1.617 178.627 176.870 0.234 0.000 1.077 638 L CA 2.574 57.345 54.840 -0.114 0.000 0.766 638 L CB -0.572 41.445 42.059 -0.070 0.000 0.890 638 L HN 0.859 nan 8.230 nan 0.000 0.435 639 W N -5.277 116.170 121.300 0.246 0.000 2.413 639 W HA 0.303 4.963 4.660 -0.000 0.000 0.288 639 W C 1.698 178.275 176.519 0.098 0.000 0.958 639 W CA -0.103 57.316 57.345 0.124 0.000 1.333 639 W CB -0.695 28.798 29.460 0.056 0.000 1.002 639 W HN -0.045 nan 8.180 nan 0.000 0.562 640 H N 1.017 119.851 119.070 -0.393 0.000 2.525 640 H HA 0.081 4.637 4.556 -0.000 0.000 0.275 640 H C 0.848 176.110 175.328 -0.110 0.000 0.984 640 H CA 1.003 56.808 56.048 -0.405 0.000 1.264 640 H CB -0.217 29.002 29.762 -0.905 0.000 1.432 640 H HN 0.191 nan 8.280 nan 0.000 0.549 641 N N 0.966 119.734 118.700 0.114 0.000 2.863 641 N HA -0.167 4.573 4.740 -0.000 0.000 0.245 641 N C -0.513 175.089 175.510 0.154 0.000 1.001 641 N CA 1.043 54.191 53.050 0.163 0.000 0.901 641 N CB -0.848 37.730 38.487 0.152 0.000 1.124 641 N HN 0.657 nan 8.380 nan 0.000 0.582 642 D N -0.118 120.367 120.400 0.141 0.000 2.371 642 D HA 0.185 4.825 4.640 -0.000 0.000 0.242 642 D C -0.052 176.395 176.300 0.245 0.000 1.218 642 D CA 0.225 54.318 54.000 0.154 0.000 0.945 642 D CB 0.819 41.692 40.800 0.121 0.000 1.137 642 D HN 0.322 nan 8.370 nan 0.000 0.464 643 E N -0.727 119.591 120.200 0.197 0.000 2.277 643 E HA 0.639 4.989 4.350 -0.000 0.000 0.266 643 E C -0.822 175.840 176.600 0.104 0.000 0.901 643 E CA -0.861 55.658 56.400 0.198 0.000 0.782 643 E CB 2.400 32.186 29.700 0.144 0.000 1.228 643 E HN 0.323 nan 8.360 nan 0.000 0.424 644 L N 1.597 122.853 121.223 0.055 0.000 2.455 644 L HA 0.400 4.740 4.340 -0.000 0.000 0.264 644 L C -1.134 175.740 176.870 0.007 0.000 0.968 644 L CA -1.051 53.709 54.840 -0.133 0.000 0.827 644 L CB 2.151 43.851 42.059 -0.598 0.000 1.317 644 L HN 0.409 nan 8.230 nan 0.000 0.407 645 D N 1.699 122.130 120.400 0.051 0.000 2.264 645 D HA 0.363 5.002 4.640 -0.000 0.000 0.250 645 D C 0.338 176.703 176.300 0.108 0.000 1.113 645 D CA 0.101 54.161 54.000 0.099 0.000 0.871 645 D CB 2.312 43.154 40.800 0.071 0.000 1.167 645 D HN 0.663 nan 8.370 nan 0.000 0.447 646 G N -0.099 108.755 108.800 0.090 0.000 2.489 646 G HA2 0.241 4.201 3.960 -0.000 0.000 0.271 646 G HA3 0.241 4.201 3.960 -0.000 0.000 0.271 646 G C 0.313 175.126 174.900 -0.145 0.000 1.427 646 G CA -0.229 44.830 45.100 -0.069 0.000 1.057 646 G HN 0.483 nan 8.290 nan 0.000 0.532 647 S N -1.928 113.621 115.700 -0.251 0.000 3.561 647 S HA -0.178 4.292 4.470 -0.000 0.000 0.318 647 S C 0.326 174.896 174.600 -0.050 0.000 1.181 647 S CA 1.800 59.950 58.200 -0.083 0.000 0.916 647 S CB -1.263 61.949 63.200 0.019 0.000 0.966 647 S HN 1.166 nan 8.310 nan 0.000 0.550 648 R N -2.235 118.063 120.500 -0.337 0.000 2.712 648 R HA 0.586 4.925 4.340 -0.000 0.000 0.272 648 R C -1.470 174.574 176.300 -0.428 0.000 1.032 648 R CA -1.190 54.803 56.100 -0.179 0.000 0.874 648 R CB 0.242 30.410 30.300 -0.221 0.000 1.256 648 R HN 0.084 nan 8.270 nan 0.000 0.468 649 W N 0.974 122.079 121.300 -0.324 0.000 2.237 649 W HA 0.430 5.090 4.660 -0.000 0.000 0.335 649 W C 0.358 176.422 176.519 -0.757 0.000 1.230 649 W CA 0.527 57.630 57.345 -0.404 0.000 1.253 649 W CB 0.817 30.161 29.460 -0.194 0.000 1.129 649 W HN 0.305 nan 8.180 nan 0.000 0.590 650 H N 1.239 120.077 119.070 -0.387 0.000 2.821 650 H HA 0.342 4.898 4.556 -0.000 0.000 0.373 650 H C -1.095 174.030 175.328 -0.338 0.000 1.165 650 H CA -1.129 54.630 56.048 -0.480 0.000 1.154 650 H CB 2.502 31.751 29.762 -0.855 0.000 1.765 650 H HN 0.242 nan 8.280 nan 0.000 0.549 651 K N 2.113 122.515 120.400 0.003 0.000 2.376 651 K HA 0.370 4.690 4.320 -0.000 0.000 0.257 651 K C -0.982 175.708 176.600 0.149 0.000 0.939 651 K CA -0.404 55.933 56.287 0.084 0.000 0.809 651 K CB 1.584 34.112 32.500 0.048 0.000 1.121 651 K HN 0.605 nan 8.250 nan 0.000 0.425 652 Q N 1.448 121.399 119.800 0.252 0.000 2.605 652 Q HA 0.316 4.656 4.340 -0.000 0.000 0.296 652 Q C -1.499 174.629 176.000 0.213 0.000 1.056 652 Q CA -1.154 54.798 55.803 0.248 0.000 0.778 652 Q CB 2.475 31.480 28.738 0.445 0.000 1.497 652 Q HN 0.385 nan 8.270 nan 0.000 0.443 653 Q N 1.107 120.959 119.800 0.087 0.000 2.285 653 Q HA 0.342 4.682 4.340 -0.000 0.000 0.269 653 Q C -1.748 174.200 176.000 -0.087 0.000 1.030 653 Q CA -0.186 55.648 55.803 0.050 0.000 0.788 653 Q CB 1.509 30.240 28.738 -0.012 0.000 1.266 653 Q HN 0.705 nan 8.270 nan 0.000 0.438 654 H N 0.878 119.939 119.070 -0.015 0.000 2.747 654 H HA 0.538 5.094 4.556 -0.000 0.000 0.371 654 H C -0.131 175.122 175.328 -0.124 0.000 1.161 654 H CA -0.637 55.400 56.048 -0.019 0.000 1.167 654 H CB 2.212 32.004 29.762 0.051 0.000 1.732 654 H HN 0.779 nan 8.280 nan 0.000 0.544 655 G N 0.007 108.811 108.800 0.007 0.000 2.535 655 G HA2 0.249 4.209 3.960 -0.000 0.000 0.303 655 G HA3 0.249 4.209 3.960 -0.000 0.000 0.303 655 G C 0.214 175.052 174.900 -0.104 0.000 1.237 655 G CA -0.592 44.408 45.100 -0.167 0.000 0.986 655 G HN 0.542 nan 8.290 nan 0.000 0.494 656 F N -0.979 119.085 119.950 0.191 0.000 2.494 656 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 656 F C 2.115 178.085 175.800 0.284 0.000 1.106 656 F CA 0.500 58.635 58.000 0.225 0.000 1.452 656 F CB 0.050 39.173 39.000 0.205 0.000 1.085 656 F HN 0.058 nan 8.300 nan 0.000 0.569 657 L N -1.252 120.149 121.223 0.297 0.000 2.653 657 L HA 0.179 4.519 4.340 -0.000 0.000 0.231 657 L C 0.636 177.611 176.870 0.175 0.000 1.153 657 L CA -0.006 54.860 54.840 0.043 0.000 0.933 657 L CB 0.012 41.871 42.059 -0.332 0.000 1.175 657 L HN 0.006 nan 8.230 nan 0.000 0.473 658 S N 0.305 116.309 115.700 0.507 0.000 2.651 658 S HA 0.860 5.330 4.470 -0.000 0.000 0.279 658 S C -1.218 173.690 174.600 0.514 0.000 1.148 658 S CA -0.585 58.050 58.200 0.725 0.000 0.837 658 S CB 1.809 65.470 63.200 0.768 0.000 1.138 658 S HN 0.163 nan 8.310 nan 0.000 0.478 659 L N -1.274 120.128 121.223 0.298 0.000 3.002 659 L HA 0.614 4.954 4.340 -0.000 0.000 0.267 659 L C -3.255 173.344 176.870 -0.451 0.000 0.997 659 L CA -1.890 52.736 54.840 -0.357 0.000 0.961 659 L CB 1.321 43.321 42.059 -0.099 0.000 1.502 659 L HN 0.384 nan 8.230 nan 0.000 0.408 660 P HA 0.244 nan 4.420 nan 0.000 0.265 660 P C -0.964 176.029 177.300 -0.513 0.000 1.222 660 P CA 0.112 62.899 63.100 -0.523 0.000 0.767 660 P CB 0.860 31.944 31.700 -1.027 0.000 0.801 661 V N 5.873 125.321 119.914 -0.775 0.000 2.516 661 V HA 0.261 4.381 4.120 -0.000 0.000 0.271 661 V C -0.867 174.657 176.094 -0.951 0.000 0.992 661 V CA -0.518 61.371 62.300 -0.685 0.000 0.857 661 V CB 0.108 31.619 31.823 -0.519 0.000 1.047 661 V HN 0.377 nan 8.190 nan 0.000 0.455 662 Y N 2.170 122.213 120.300 -0.428 0.000 2.387 662 Y HA 0.681 5.231 4.550 -0.000 0.000 0.336 662 Y C 0.237 176.159 175.900 0.036 0.000 1.067 662 Y CA -0.870 57.119 58.100 -0.186 0.000 1.114 662 Y CB 2.130 40.562 38.460 -0.047 0.000 1.208 662 Y HN 0.333 nan 8.280 nan 0.000 0.458 663 V N 4.269 124.170 119.914 -0.022 0.000 2.427 663 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 663 V C -0.107 175.769 176.094 -0.364 0.000 1.034 663 V CA -1.196 60.904 62.300 -0.333 0.000 0.893 663 V CB 1.278 32.441 31.823 -1.100 0.000 0.982 663 V HN 0.782 nan 8.190 nan 0.000 0.452 664 R N 2.201 122.271 120.500 -0.717 0.000 2.637 664 R HA 0.428 4.768 4.340 -0.000 0.000 0.269 664 R C -0.353 175.567 176.300 -0.632 0.000 1.089 664 R CA -0.715 54.608 56.100 -1.295 0.000 1.177 664 R CB 0.287 29.629 30.300 -1.597 0.000 1.091 664 R HN 0.747 nan 8.270 nan 0.000 0.540 665 D N 0.383 120.447 120.400 -0.559 0.000 2.361 665 D HA -0.037 4.603 4.640 -0.000 0.000 0.239 665 D C -0.288 175.903 176.300 -0.182 0.000 1.200 665 D CA -0.347 53.499 54.000 -0.257 0.000 0.915 665 D CB 0.075 40.738 40.800 -0.228 0.000 1.170 665 D HN 0.722 nan 8.370 nan 0.000 0.444 666 N N -1.452 117.191 118.700 -0.095 0.000 2.747 666 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 666 N C -0.736 174.771 175.510 -0.005 0.000 1.107 666 N CA 1.323 54.341 53.050 -0.052 0.000 0.707 666 N CB -1.887 36.554 38.487 -0.077 0.000 1.054 666 N HN 0.864 nan 8.380 nan 0.000 0.555 667 T N -2.240 112.337 114.554 0.038 0.000 2.876 667 T HA 0.655 5.005 4.350 -0.000 0.000 0.289 667 T C -0.066 174.746 174.700 0.186 0.000 1.014 667 T CA -0.828 61.313 62.100 0.069 0.000 0.986 667 T CB 2.717 71.574 68.868 -0.019 0.000 1.021 667 T HN 0.171 nan 8.240 nan 0.000 0.458 668 L N 3.405 124.723 121.223 0.158 0.000 2.295 668 L HA 0.556 4.895 4.340 -0.000 0.000 0.281 668 L C -1.211 175.812 176.870 0.256 0.000 1.018 668 L CA -1.142 53.823 54.840 0.208 0.000 0.841 668 L CB 1.164 43.299 42.059 0.127 0.000 1.218 668 L HN 0.637 nan 8.230 nan 0.000 0.424 669 L N 4.536 125.953 121.223 0.322 0.000 2.295 669 L HA 0.611 4.950 4.340 -0.000 0.000 0.285 669 L C 0.045 177.065 176.870 0.248 0.000 1.035 669 L CA 0.005 54.979 54.840 0.223 0.000 0.806 669 L CB 1.662 43.822 42.059 0.168 0.000 1.214 669 L HN 0.607 nan 8.230 nan 0.000 0.426 670 A N 6.590 129.500 122.820 0.150 0.000 2.249 670 A HA 0.665 4.985 4.320 -0.000 0.000 0.314 670 A C -0.852 176.702 177.584 -0.050 0.000 1.290 670 A CA -0.467 51.522 52.037 -0.079 0.000 0.893 670 A CB 0.004 18.930 19.000 -0.123 0.000 1.165 670 A HN 0.690 nan 8.150 nan 0.000 0.530 671 L N 2.555 123.751 121.223 -0.045 0.000 2.334 671 L HA 0.670 5.010 4.340 -0.000 0.000 0.273 671 L C 0.954 177.857 176.870 0.056 0.000 1.013 671 L CA -0.772 54.085 54.840 0.029 0.000 0.816 671 L CB 2.077 44.169 42.059 0.055 0.000 1.278 671 L HN 0.788 nan 8.230 nan 0.000 0.431 672 G N -0.220 108.680 108.800 0.166 0.000 2.502 672 G HA2 0.178 4.137 3.960 -0.000 0.000 0.305 672 G HA3 0.178 4.137 3.960 -0.000 0.000 0.305 672 G C 0.287 175.321 174.900 0.223 0.000 1.190 672 G CA -0.640 44.656 45.100 0.327 0.000 0.933 672 G HN 0.906 nan 8.290 nan 0.000 0.503 673 N N -0.614 118.203 118.700 0.194 0.000 2.322 673 N HA 0.001 4.741 4.740 -0.000 0.000 0.194 673 N C 0.098 175.545 175.510 -0.105 0.000 1.126 673 N CA -0.384 52.692 53.050 0.044 0.000 0.845 673 N CB 0.274 38.786 38.487 0.043 0.000 0.976 673 N HN 0.230 nan 8.380 nan 0.000 0.475 674 N N 1.225 119.756 118.700 -0.282 0.000 2.314 674 N HA 0.069 4.809 4.740 -0.000 0.000 0.304 674 N C -1.281 174.056 175.510 -0.290 0.000 1.073 674 N CA -0.379 52.348 53.050 -0.539 0.000 0.822 674 N CB 1.821 39.430 38.487 -1.464 0.000 1.280 674 N HN 0.259 nan 8.380 nan 0.000 0.489 675 D N 0.926 121.223 120.400 -0.171 0.000 2.594 675 D HA 0.090 4.730 4.640 -0.000 0.000 0.256 675 D C 0.197 176.494 176.300 -0.004 0.000 1.393 675 D CA 0.135 54.099 54.000 -0.060 0.000 0.797 675 D CB 0.406 41.168 40.800 -0.064 0.000 1.110 675 D HN 0.277 nan 8.370 nan 0.000 0.495 676 Q N 0.460 120.252 119.800 -0.013 0.000 2.423 676 Q HA 0.206 4.546 4.340 -0.000 0.000 0.231 676 Q C 0.715 176.868 176.000 0.255 0.000 0.894 676 Q CA 0.661 56.511 55.803 0.079 0.000 0.938 676 Q CB 1.323 30.070 28.738 0.016 0.000 1.079 676 Q HN 0.523 nan 8.270 nan 0.000 0.552 677 R N -0.146 120.456 120.500 0.170 0.000 2.808 677 R HA 0.438 4.778 4.340 -0.000 0.000 0.272 677 R C -2.433 173.993 176.300 0.211 0.000 0.995 677 R CA -1.550 54.675 56.100 0.208 0.000 0.917 677 R CB 1.476 31.908 30.300 0.220 0.000 1.217 677 R HN -0.279 nan 8.270 nan 0.000 0.471 678 P HA -0.037 nan 4.420 nan 0.000 0.224 678 P C -0.653 176.896 177.300 0.416 0.000 1.159 678 P CA 0.805 64.076 63.100 0.286 0.000 0.824 678 P CB 0.106 31.888 31.700 0.137 0.000 0.833 679 D N 1.011 121.575 120.400 0.274 0.000 2.396 679 D HA 0.189 4.829 4.640 -0.000 0.000 0.225 679 D C -0.266 176.024 176.300 -0.018 0.000 1.121 679 D CA -0.729 53.297 54.000 0.043 0.000 0.853 679 D CB 0.040 40.878 40.800 0.064 0.000 1.043 679 D HN 0.257 nan 8.370 nan 0.000 0.500 680 Y N -1.563 118.421 120.300 -0.527 0.000 2.725 680 Y HA 0.452 5.002 4.550 -0.000 0.000 0.333 680 Y C -0.917 174.503 175.900 -0.801 0.000 1.242 680 Y CA -1.726 56.090 58.100 -0.474 0.000 1.059 680 Y CB 0.529 38.863 38.460 -0.211 0.000 1.306 680 Y HN -0.052 nan 8.280 nan 0.000 0.454 681 V N 2.997 122.729 119.914 -0.304 0.000 2.393 681 V HA -0.106 4.013 4.120 -0.000 0.000 0.257 681 V C 0.371 176.347 176.094 -0.197 0.000 1.040 681 V CA -0.094 62.020 62.300 -0.310 0.000 1.097 681 V CB -0.876 30.836 31.823 -0.185 0.000 1.101 681 V HN 0.832 nan 8.190 nan 0.000 0.479 682 W N 3.500 124.726 121.300 -0.123 0.000 2.402 682 W HA -0.085 4.575 4.660 -0.000 0.000 0.286 682 W C 2.115 178.651 176.519 0.028 0.000 1.221 682 W CA 1.332 58.598 57.345 -0.132 0.000 1.257 682 W CB -0.625 28.710 29.460 -0.208 0.000 1.120 682 W HN 0.891 nan 8.180 nan 0.000 0.551 683 H N -0.190 118.977 119.070 0.162 0.000 2.533 683 H HA 0.169 4.725 4.556 -0.000 0.000 0.271 683 H C -0.513 174.853 175.328 0.064 0.000 1.000 683 H CA 0.515 56.623 56.048 0.099 0.000 1.149 683 H CB -0.306 29.507 29.762 0.084 0.000 1.375 683 H HN 0.033 nan 8.280 nan 0.000 0.582 684 E N 0.729 120.803 120.200 -0.211 0.000 2.073 684 E HA 0.375 4.725 4.350 -0.000 0.000 0.269 684 E C 0.791 177.396 176.600 0.008 0.000 0.917 684 E CA 0.024 56.327 56.400 -0.162 0.000 0.757 684 E CB 0.224 29.781 29.700 -0.239 0.000 1.111 684 E HN 0.491 nan 8.360 nan 0.000 0.410 685 G N 3.513 112.351 108.800 0.063 0.000 2.136 685 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 685 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 685 G C 0.429 175.404 174.900 0.124 0.000 0.989 685 G CA 0.383 45.538 45.100 0.092 0.000 0.682 685 G HN 0.823 nan 8.290 nan 0.000 0.522 686 T N -0.435 114.195 114.554 0.128 0.000 2.928 686 T HA 0.561 4.910 4.350 -0.000 0.000 0.305 686 T C 0.621 175.318 174.700 -0.005 0.000 1.035 686 T CA 0.942 63.047 62.100 0.007 0.000 1.145 686 T CB 1.078 69.836 68.868 -0.185 0.000 0.963 686 T HN 1.753 nan 8.240 nan 0.000 0.545 687 A N 5.417 128.220 122.820 -0.029 0.000 2.280 687 A HA 0.626 4.946 4.320 -0.000 0.000 0.320 687 A C -0.343 177.267 177.584 0.043 0.000 1.366 687 A CA -0.776 51.309 52.037 0.080 0.000 0.938 687 A CB -0.272 18.837 19.000 0.182 0.000 1.157 687 A HN 0.796 nan 8.150 nan 0.000 0.536 688 F N 1.332 121.393 119.950 0.185 0.000 2.396 688 F HA 0.422 4.949 4.527 -0.000 0.000 0.343 688 F C 0.565 176.367 175.800 0.005 0.000 1.104 688 F CA 0.451 58.549 58.000 0.163 0.000 1.161 688 F CB 1.063 40.134 39.000 0.119 0.000 1.146 688 F HN 0.562 nan 8.300 nan 0.000 0.522 689 H N 2.726 121.906 119.070 0.184 0.000 2.589 689 H HA 0.441 4.996 4.556 -0.000 0.000 0.335 689 H C -1.141 174.096 175.328 -0.152 0.000 1.019 689 H CA -0.767 55.243 56.048 -0.064 0.000 1.213 689 H CB 1.641 31.298 29.762 -0.174 0.000 1.472 689 H HN 0.440 nan 8.280 nan 0.000 0.508 690 L N 4.401 125.529 121.223 -0.159 0.000 2.264 690 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 690 L C -1.509 175.212 176.870 -0.248 0.000 1.044 690 L CA -0.195 54.591 54.840 -0.090 0.000 0.807 690 L CB -0.255 41.788 42.059 -0.028 0.000 1.192 690 L HN 0.433 nan 8.230 nan 0.000 0.425 691 F N 4.188 124.159 119.950 0.035 0.000 2.427 691 F HA 0.395 4.922 4.527 -0.000 0.000 0.346 691 F C 0.984 176.763 175.800 -0.034 0.000 1.120 691 F CA -0.821 57.182 58.000 0.004 0.000 1.033 691 F CB 0.758 39.743 39.000 -0.024 0.000 1.126 691 F HN 0.505 nan 8.300 nan 0.000 0.462 692 N N 2.925 121.700 118.700 0.126 0.000 2.770 692 N HA -0.230 4.510 4.740 -0.000 0.000 0.283 692 N C -0.771 174.732 175.510 -0.012 0.000 1.009 692 N CA 0.261 53.335 53.050 0.040 0.000 0.828 692 N CB -0.359 38.140 38.487 0.021 0.000 0.939 692 N HN 0.423 nan 8.380 nan 0.000 0.580 693 L N 2.033 123.253 121.223 -0.005 0.000 2.385 693 L HA 0.095 4.435 4.340 -0.000 0.000 0.281 693 L C 0.693 177.534 176.870 -0.047 0.000 1.106 693 L CA 0.144 54.971 54.840 -0.021 0.000 0.856 693 L CB 0.539 42.605 42.059 0.011 0.000 1.186 693 L HN 0.188 nan 8.230 nan 0.000 0.453 694 Q N 2.469 122.183 119.800 -0.144 0.000 2.394 694 Q HA 0.105 4.445 4.340 -0.000 0.000 0.248 694 Q C -0.402 175.622 176.000 0.040 0.000 0.992 694 Q CA -0.359 55.354 55.803 -0.150 0.000 0.888 694 Q CB 0.757 29.217 28.738 -0.463 0.000 1.257 694 Q HN 0.613 nan 8.270 nan 0.000 0.462 695 D N -0.115 120.331 120.400 0.077 0.000 2.434 695 D HA 0.185 4.825 4.640 -0.000 0.000 0.252 695 D C 0.765 177.187 176.300 0.203 0.000 1.185 695 D CA 1.632 55.699 54.000 0.111 0.000 0.886 695 D CB 0.120 40.960 40.800 0.066 0.000 1.148 695 D HN 0.666 nan 8.370 nan 0.000 0.483 696 G N 2.690 111.577 108.800 0.146 0.000 2.213 696 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.226 696 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.226 696 G C 0.085 174.971 174.900 -0.023 0.000 0.992 696 G CA 0.134 45.267 45.100 0.055 0.000 0.632 696 G HN 0.684 nan 8.290 nan 0.000 0.511 697 H N 0.252 119.319 119.070 -0.006 0.000 2.615 697 H HA 0.808 5.364 4.556 -0.000 0.000 0.346 697 H C 0.042 175.363 175.328 -0.011 0.000 1.200 697 H CA -0.170 55.872 56.048 -0.009 0.000 1.264 697 H CB 1.451 31.207 29.762 -0.010 0.000 1.699 697 H HN 0.351 nan 8.280 nan 0.000 0.567 698 E N 0.130 120.397 120.200 0.111 0.000 2.317 698 E HA 0.694 5.044 4.350 -0.000 0.000 0.270 698 E C -1.624 175.002 176.600 0.043 0.000 0.885 698 E CA -1.311 55.117 56.400 0.048 0.000 0.760 698 E CB 1.764 31.468 29.700 0.006 0.000 1.227 698 E HN 0.714 nan 8.360 nan 0.000 0.434 699 A N 3.091 125.924 122.820 0.022 0.000 2.318 699 A HA 0.580 4.900 4.320 -0.000 0.000 0.317 699 A C -1.154 176.425 177.584 -0.008 0.000 1.159 699 A CA -0.590 51.459 52.037 0.020 0.000 0.799 699 A CB 1.287 20.309 19.000 0.037 0.000 1.194 699 A HN 0.319 nan 8.150 nan 0.000 0.479 700 V N 1.608 121.518 119.914 -0.008 0.000 2.459 700 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 700 V C -0.328 175.764 176.094 -0.003 0.000 1.029 700 V CA -0.559 61.719 62.300 -0.035 0.000 0.874 700 V CB 1.293 33.089 31.823 -0.045 0.000 0.985 700 V HN 1.023 nan 8.190 nan 0.000 0.438 701 C N 5.016 124.302 119.300 -0.022 0.000 2.364 701 C HA 0.632 5.092 4.460 -0.000 0.000 0.324 701 C C -0.266 174.749 174.990 0.042 0.000 1.234 701 C CA -0.405 58.655 59.018 0.070 0.000 1.417 701 C CB 0.495 28.355 27.740 0.200 0.000 2.101 701 C HN 0.997 nan 8.230 nan 0.000 0.466 702 E N 4.255 124.498 120.200 0.071 0.000 2.114 702 E HA 0.413 4.763 4.350 -0.000 0.000 0.266 702 E C -0.303 176.369 176.600 0.120 0.000 0.896 702 E CA -0.411 56.021 56.400 0.054 0.000 0.750 702 E CB 1.718 31.424 29.700 0.009 0.000 1.121 702 E HN 0.706 nan 8.360 nan 0.000 0.413 703 V N 1.929 121.969 119.914 0.209 0.000 2.498 703 V HA 0.523 4.643 4.120 -0.000 0.000 0.279 703 V C -2.288 173.918 176.094 0.187 0.000 1.048 703 V CA -1.943 60.486 62.300 0.215 0.000 0.967 703 V CB 0.670 32.694 31.823 0.335 0.000 0.988 703 V HN 0.476 nan 8.190 nan 0.000 0.473 704 P HA 0.553 nan 4.420 nan 0.000 0.280 704 P C -0.511 176.995 177.300 0.343 0.000 1.272 704 P CA -0.439 62.788 63.100 0.212 0.000 0.819 704 P CB 1.915 33.732 31.700 0.194 0.000 1.122 705 A N 0.633 123.611 122.820 0.262 0.000 2.269 705 A HA 0.553 4.872 4.320 -0.000 0.000 0.319 705 A C 1.576 179.319 177.584 0.265 0.000 1.110 705 A CA -0.074 52.074 52.037 0.185 0.000 0.847 705 A CB -0.042 19.000 19.000 0.071 0.000 1.161 705 A HN 0.505 nan 8.150 nan 0.000 0.497 706 A N 0.257 123.099 122.820 0.036 0.000 2.148 706 A HA -0.154 4.166 4.320 -0.000 0.000 0.222 706 A C 1.218 178.878 177.584 0.126 0.000 1.161 706 A CA 2.131 54.119 52.037 -0.082 0.000 0.662 706 A CB -0.509 18.366 19.000 -0.208 0.000 0.799 706 A HN 0.859 nan 8.150 nan 0.000 0.466 707 D N -2.884 117.632 120.400 0.193 0.000 2.402 707 D HA 0.304 4.944 4.640 -0.000 0.000 0.216 707 D C 1.103 177.563 176.300 0.267 0.000 1.128 707 D CA 0.833 54.965 54.000 0.219 0.000 0.833 707 D CB -0.352 40.523 40.800 0.124 0.000 0.971 707 D HN 0.690 nan 8.370 nan 0.000 0.503 708 G N 0.752 109.785 108.800 0.388 0.000 2.241 708 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 708 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 708 G C 0.476 175.453 174.900 0.127 0.000 0.998 708 G CA 0.426 45.664 45.100 0.232 0.000 0.621 708 G HN 0.828 nan 8.290 nan 0.000 0.519 709 S N -0.343 115.428 115.700 0.119 0.000 2.585 709 S HA 0.576 5.046 4.470 -0.000 0.000 0.273 709 S C 0.535 175.181 174.600 0.077 0.000 1.339 709 S CA 0.110 58.353 58.200 0.072 0.000 1.028 709 S CB 2.181 65.415 63.200 0.057 0.000 0.906 709 S HN 1.677 nan 8.310 nan 0.000 0.528 710 V N 4.373 124.315 119.914 0.047 0.000 2.427 710 V HA 0.290 4.410 4.120 -0.000 0.000 0.268 710 V C 0.665 176.786 176.094 0.046 0.000 1.046 710 V CA -0.295 62.035 62.300 0.049 0.000 0.970 710 V CB 0.156 31.990 31.823 0.018 0.000 1.001 710 V HN 1.029 nan 8.190 nan 0.000 0.476 711 I N 6.196 126.804 120.570 0.062 0.000 3.035 711 I HA 0.320 4.490 4.170 -0.000 0.000 0.271 711 I C 0.018 176.214 176.117 0.132 0.000 1.190 711 I CA 0.320 61.635 61.300 0.024 0.000 1.472 711 I CB 0.316 38.236 38.000 -0.133 0.000 1.116 711 I HN 0.633 nan 8.210 nan 0.000 0.443 712 F N -0.079 119.862 119.950 -0.014 0.000 2.601 712 F HA 0.475 5.002 4.527 -0.000 0.000 0.309 712 F C -1.063 174.732 175.800 -0.010 0.000 1.089 712 F CA -0.496 57.503 58.000 -0.002 0.000 0.940 712 F CB 1.849 40.875 39.000 0.044 0.000 1.273 712 F HN -0.397 nan 8.300 nan 0.000 0.450 713 T N 5.981 119.983 114.554 -0.921 0.000 2.881 713 T HA 0.632 4.982 4.350 -0.000 0.000 0.290 713 T C -1.844 172.205 174.700 -1.085 0.000 1.000 713 T CA -0.432 61.248 62.100 -0.702 0.000 0.978 713 T CB 1.596 70.234 68.868 -0.382 0.000 0.997 713 T HN 0.583 nan 8.240 nan 0.000 0.443 714 L N 3.716 124.498 121.223 -0.735 0.000 2.372 714 L HA 0.593 4.933 4.340 -0.000 0.000 0.274 714 L C -0.899 175.743 176.870 -0.380 0.000 0.988 714 L CA -0.364 54.057 54.840 -0.698 0.000 0.833 714 L CB 1.068 42.537 42.059 -0.983 0.000 1.236 714 L HN 0.502 nan 8.230 nan 0.000 0.410 715 K N 3.963 124.195 120.400 -0.280 0.000 2.208 715 K HA 0.924 5.243 4.320 -0.000 0.000 0.247 715 K C -1.004 175.528 176.600 -0.114 0.000 0.953 715 K CA -0.862 55.330 56.287 -0.158 0.000 0.837 715 K CB 2.116 34.542 32.500 -0.123 0.000 1.131 715 K HN 0.580 nan 8.250 nan 0.000 0.431 716 A N 1.325 124.108 122.820 -0.062 0.000 2.651 716 A HA 0.596 4.916 4.320 -0.000 0.000 0.290 716 A C -1.056 176.525 177.584 -0.005 0.000 1.185 716 A CA -0.621 51.399 52.037 -0.029 0.000 0.746 716 A CB 0.866 19.855 19.000 -0.018 0.000 1.213 716 A HN 0.681 nan 8.150 nan 0.000 0.429 717 A N 2.348 125.166 122.820 -0.004 0.000 2.290 717 A HA 0.808 5.127 4.320 -0.000 0.000 0.310 717 A C 0.177 177.771 177.584 0.017 0.000 1.202 717 A CA -0.623 51.419 52.037 0.008 0.000 0.837 717 A CB 0.519 19.517 19.000 -0.003 0.000 1.139 717 A HN 1.189 nan 8.150 nan 0.000 0.509 718 R N 1.054 121.573 120.500 0.031 0.000 2.480 718 R HA 0.673 5.013 4.340 -0.000 0.000 0.306 718 R C -1.455 174.866 176.300 0.035 0.000 0.958 718 R CA 0.017 56.136 56.100 0.032 0.000 0.861 718 R CB 1.563 31.885 30.300 0.037 0.000 1.171 718 R HN 0.438 nan 8.270 nan 0.000 0.445 719 T N 3.426 117.995 114.554 0.024 0.000 2.840 719 T HA 0.589 4.938 4.350 -0.000 0.000 0.287 719 T C 0.362 175.074 174.700 0.019 0.000 0.991 719 T CA 0.195 62.307 62.100 0.021 0.000 0.964 719 T CB 1.491 70.366 68.868 0.011 0.000 0.954 719 T HN 0.983 nan 8.240 nan 0.000 0.438 720 G N 4.217 113.030 108.800 0.022 0.000 2.565 720 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.295 720 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.295 720 G C 0.406 175.317 174.900 0.019 0.000 1.165 720 G CA 0.521 45.632 45.100 0.019 0.000 0.977 720 G HN 0.737 nan 8.290 nan 0.000 0.546 721 N N 0.581 119.290 118.700 0.015 0.000 2.235 721 N HA 0.297 5.037 4.740 -0.000 0.000 0.231 721 N C -0.638 174.880 175.510 0.013 0.000 1.177 721 N CA 0.233 53.291 53.050 0.014 0.000 0.874 721 N CB 0.888 39.383 38.487 0.012 0.000 1.097 721 N HN 0.383 nan 8.380 nan 0.000 0.518 722 T N 1.851 116.413 114.554 0.014 0.000 2.781 722 T HA 0.380 4.730 4.350 -0.000 0.000 0.305 722 T C 0.114 174.822 174.700 0.015 0.000 1.001 722 T CA -0.152 61.956 62.100 0.013 0.000 0.950 722 T CB 0.932 69.807 68.868 0.011 0.000 0.955 722 T HN 0.058 nan 8.240 nan 0.000 0.471 723 I N 3.574 124.153 120.570 0.015 0.000 2.307 723 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 723 I C 0.382 176.509 176.117 0.017 0.000 1.021 723 I CA -0.574 60.736 61.300 0.016 0.000 1.224 723 I CB 1.040 39.050 38.000 0.017 0.000 1.376 723 I HN 0.446 nan 8.210 nan 0.000 0.470 724 T N 6.068 120.629 114.554 0.013 0.000 2.733 724 T HA 0.309 4.659 4.350 -0.000 0.000 0.294 724 T C 0.065 174.771 174.700 0.011 0.000 0.956 724 T CA -0.363 61.745 62.100 0.014 0.000 0.987 724 T CB 1.174 70.047 68.868 0.008 0.000 0.920 724 T HN 0.169 nan 8.240 nan 0.000 0.470 725 V N 4.241 124.172 119.914 0.027 0.000 2.350 725 V HA 0.589 4.709 4.120 -0.000 0.000 0.276 725 V C 0.512 176.630 176.094 0.040 0.000 1.028 725 V CA -0.470 61.847 62.300 0.028 0.000 0.860 725 V CB 1.325 33.197 31.823 0.082 0.000 0.990 725 V HN 0.951 nan 8.190 nan 0.000 0.453 726 T N 3.623 118.165 114.554 -0.020 0.000 2.886 726 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 726 T C -0.286 174.343 174.700 -0.118 0.000 1.012 726 T CA -0.095 61.994 62.100 -0.019 0.000 0.982 726 T CB 1.585 70.439 68.868 -0.024 0.000 1.018 726 T HN 0.932 nan 8.240 nan 0.000 0.451 727 G N 1.770 110.522 108.800 -0.081 0.000 2.591 727 G HA2 0.765 4.724 3.960 -0.000 0.000 0.306 727 G HA3 0.765 4.724 3.960 -0.000 0.000 0.306 727 G C -0.917 173.888 174.900 -0.159 0.000 1.334 727 G CA -0.393 44.530 45.100 -0.295 0.000 0.981 727 G HN 1.024 nan 8.290 nan 0.000 0.491 728 A N 0.416 123.045 122.820 -0.318 0.000 2.313 728 A HA 1.039 5.359 4.320 -0.000 0.000 0.323 728 A C 0.891 178.454 177.584 -0.035 0.000 1.133 728 A CA 0.440 52.412 52.037 -0.109 0.000 0.847 728 A CB 1.016 19.950 19.000 -0.110 0.000 1.308 728 A HN 2.691 nan 8.150 nan 0.000 0.475 729 G N -0.495 108.367 108.800 0.102 0.000 2.593 729 G HA2 0.027 3.987 3.960 -0.000 0.000 0.237 729 G HA3 0.027 3.987 3.960 -0.000 0.000 0.237 729 G C -0.274 174.858 174.900 0.387 0.000 1.312 729 G CA 0.362 45.579 45.100 0.195 0.000 0.896 729 G HN 1.181 nan 8.290 nan 0.000 0.574 730 E N -0.893 119.544 120.200 0.394 0.000 2.335 730 E HA 0.622 4.972 4.350 -0.000 0.000 0.280 730 E C -0.321 176.327 176.600 0.081 0.000 0.918 730 E CA -0.262 56.295 56.400 0.263 0.000 0.765 730 E CB 1.658 31.467 29.700 0.181 0.000 1.218 730 E HN 1.605 nan 8.360 nan 0.000 0.425 731 A N 2.834 125.515 122.820 -0.232 0.000 2.556 731 A HA 0.815 5.134 4.320 -0.000 0.000 0.294 731 A C -1.593 176.020 177.584 0.049 0.000 1.091 731 A CA -0.837 51.105 52.037 -0.159 0.000 0.704 731 A CB 1.629 20.175 19.000 -0.757 0.000 1.300 731 A HN 0.391 nan 8.150 nan 0.000 0.406 732 K N 0.803 121.259 120.400 0.094 0.000 2.378 732 K HA 0.603 4.923 4.320 -0.000 0.000 0.252 732 K C -0.341 176.319 176.600 0.100 0.000 0.931 732 K CA -0.453 55.892 56.287 0.097 0.000 0.794 732 K CB 1.172 33.686 32.500 0.023 0.000 1.181 732 K HN 0.743 nan 8.250 nan 0.000 0.425 733 N N 0.881 119.596 118.700 0.025 0.000 2.754 733 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 733 N C -0.836 174.713 175.510 0.065 0.000 1.093 733 N CA 0.404 53.442 53.050 -0.021 0.000 0.699 733 N CB -0.577 37.907 38.487 -0.005 0.000 1.016 733 N HN 0.655 nan 8.380 nan 0.000 0.552 734 W N 0.865 122.194 121.300 0.048 0.000 2.253 734 W HA 0.644 5.304 4.660 -0.000 0.000 0.348 734 W C 0.360 176.966 176.519 0.145 0.000 1.229 734 W CA 0.073 57.501 57.345 0.138 0.000 1.335 734 W CB 0.225 29.876 29.460 0.318 0.000 1.165 734 W HN 0.001 nan 8.180 nan 0.000 0.631 735 T N -0.364 114.516 114.554 0.544 0.000 2.865 735 T HA 0.617 4.967 4.350 -0.000 0.000 0.294 735 T C -1.340 173.669 174.700 0.516 0.000 1.119 735 T CA -1.045 61.243 62.100 0.313 0.000 1.007 735 T CB 2.165 71.102 68.868 0.115 0.000 1.225 735 T HN 0.564 nan 8.240 nan 0.000 0.515 736 L N 1.348 122.745 121.223 0.290 0.000 2.376 736 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 736 L C -1.056 175.824 176.870 0.016 0.000 0.987 736 L CA -0.655 54.324 54.840 0.231 0.000 0.828 736 L CB 1.070 43.291 42.059 0.270 0.000 1.249 736 L HN 1.131 nan 8.230 nan 0.000 0.409 737 C N 6.936 126.151 119.300 -0.142 0.000 2.264 737 C HA 0.423 4.882 4.460 -0.000 0.000 0.324 737 C C 0.202 175.095 174.990 -0.162 0.000 1.267 737 C CA -0.863 58.021 59.018 -0.224 0.000 1.618 737 C CB -0.075 27.349 27.740 -0.526 0.000 2.278 737 C HN 0.636 nan 8.230 nan 0.000 0.499 738 L N 7.774 128.943 121.223 -0.091 0.000 2.404 738 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 738 L C 0.914 177.734 176.870 -0.084 0.000 1.184 738 L CA 0.619 55.413 54.840 -0.076 0.000 1.013 738 L CB -0.757 41.282 42.059 -0.034 0.000 1.318 738 L HN 0.673 nan 8.230 nan 0.000 0.435 739 R N 3.540 123.946 120.500 -0.156 0.000 2.537 739 R HA -0.084 4.255 4.340 -0.000 0.000 0.281 739 R C 0.786 177.068 176.300 -0.031 0.000 0.988 739 R CA 0.031 56.056 56.100 -0.125 0.000 1.077 739 R CB -0.115 29.999 30.300 -0.310 0.000 0.932 739 R HN 0.491 nan 8.270 nan 0.000 0.409 740 N N -0.284 118.423 118.700 0.013 0.000 2.708 740 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 740 N C -0.983 174.539 175.510 0.019 0.000 1.123 740 N CA 0.963 54.032 53.050 0.032 0.000 0.739 740 N CB -0.684 37.835 38.487 0.054 0.000 1.113 740 N HN 0.259 nan 8.380 nan 0.000 0.561 741 V N 1.321 121.239 119.914 0.007 0.000 2.304 741 V HA 0.190 4.310 4.120 -0.000 0.000 0.278 741 V C 1.480 177.578 176.094 0.007 0.000 1.018 741 V CA -0.447 61.856 62.300 0.005 0.000 0.814 741 V CB 1.768 33.589 31.823 -0.004 0.000 1.021 741 V HN -0.043 nan 8.190 nan 0.000 0.440 742 V N 3.525 123.446 119.914 0.011 0.000 2.548 742 V HA 0.078 4.197 4.120 -0.000 0.000 0.249 742 V C 0.795 176.894 176.094 0.008 0.000 1.055 742 V CA 1.349 63.656 62.300 0.012 0.000 1.065 742 V CB -0.368 31.464 31.823 0.015 0.000 0.681 742 V HN 0.798 nan 8.190 nan 0.000 0.462 743 K N -0.010 120.395 120.400 0.007 0.000 2.569 743 K HA 0.513 4.833 4.320 -0.000 0.000 0.259 743 K C -1.503 175.099 176.600 0.005 0.000 0.932 743 K CA -0.521 55.769 56.287 0.005 0.000 0.833 743 K CB 2.541 35.044 32.500 0.006 0.000 1.340 743 K HN -0.019 nan 8.250 nan 0.000 0.429 744 V N 0.529 120.445 119.914 0.003 0.000 2.667 744 V HA 0.473 4.592 4.120 -0.000 0.000 0.308 744 V C 0.161 176.257 176.094 0.003 0.000 1.048 744 V CA -0.540 61.762 62.300 0.004 0.000 0.928 744 V CB 1.564 33.389 31.823 0.003 0.000 1.004 744 V HN 0.950 nan 8.190 nan 0.000 0.444 745 N N 1.880 120.582 118.700 0.004 0.000 2.322 745 N HA 0.509 5.248 4.740 -0.000 0.000 0.216 745 N C 0.337 175.849 175.510 0.003 0.000 1.144 745 N CA 0.251 53.303 53.050 0.004 0.000 0.830 745 N CB 0.513 39.003 38.487 0.004 0.000 1.034 745 N HN 1.377 nan 8.380 nan 0.000 0.484 746 G N 0.991 109.793 108.800 0.002 0.000 2.343 746 G HA2 0.336 4.296 3.960 -0.000 0.000 0.298 746 G HA3 0.336 4.296 3.960 -0.000 0.000 0.298 746 G C -1.997 172.905 174.900 0.002 0.000 1.644 746 G CA -0.868 44.233 45.100 0.002 0.000 0.958 746 G HN 0.276 nan 8.290 nan 0.000 0.702 747 L N -1.504 119.719 121.223 0.001 0.000 2.591 747 L HA 0.773 5.113 4.340 -0.000 0.000 0.257 747 L C -0.935 175.935 176.870 -0.001 0.000 0.935 747 L CA -1.148 53.693 54.840 0.001 0.000 0.873 747 L CB 1.004 43.063 42.059 -0.000 0.000 1.397 747 L HN 0.747 nan 8.230 nan 0.000 0.414 748 Q N 0.975 120.776 119.800 0.002 0.000 2.306 748 Q HA 0.540 4.880 4.340 -0.000 0.000 0.265 748 Q C -0.975 175.024 176.000 -0.002 0.000 1.022 748 Q CA -0.540 55.263 55.803 0.000 0.000 0.853 748 Q CB 1.723 30.464 28.738 0.005 0.000 1.327 748 Q HN 0.705 nan 8.270 nan 0.000 0.449 749 D N 0.512 120.907 120.400 -0.008 0.000 2.716 749 D HA -0.132 4.508 4.640 -0.000 0.000 0.239 749 D C -0.451 175.828 176.300 -0.036 0.000 1.125 749 D CA 1.649 55.639 54.000 -0.016 0.000 0.681 749 D CB -1.163 39.636 40.800 -0.003 0.000 1.070 749 D HN 0.829 nan 8.370 nan 0.000 0.432 750 G N -1.882 106.894 108.800 -0.039 0.000 2.519 750 G HA2 0.539 4.499 3.960 -0.000 0.000 0.292 750 G HA3 0.539 4.499 3.960 -0.000 0.000 0.292 750 G C -0.033 174.839 174.900 -0.047 0.000 1.507 750 G CA 0.100 45.165 45.100 -0.058 0.000 0.806 750 G HN 0.377 nan 8.290 nan 0.000 0.523 751 S N -0.641 115.026 115.700 -0.056 0.000 2.448 751 S HA 0.894 5.364 4.470 -0.000 0.000 0.271 751 S C -0.055 174.524 174.600 -0.035 0.000 1.145 751 S CA 0.337 58.512 58.200 -0.042 0.000 1.022 751 S CB 1.277 64.450 63.200 -0.045 0.000 1.202 751 S HN 1.720 nan 8.310 nan 0.000 0.479 752 Q N -1.505 118.277 119.800 -0.029 0.000 2.736 752 Q HA 0.606 4.946 4.340 -0.000 0.000 0.273 752 Q C -1.987 174.004 176.000 -0.016 0.000 0.948 752 Q CA -1.235 54.555 55.803 -0.022 0.000 0.854 752 Q CB 0.865 29.594 28.738 -0.015 0.000 1.569 752 Q HN 1.296 nan 8.270 nan 0.000 0.405 753 A N 1.436 124.249 122.820 -0.012 0.000 2.456 753 A HA 0.510 4.830 4.320 -0.000 0.000 0.288 753 A C -1.197 176.386 177.584 -0.001 0.000 1.042 753 A CA -0.689 51.344 52.037 -0.006 0.000 0.738 753 A CB 1.485 20.481 19.000 -0.006 0.000 1.266 753 A HN 0.637 nan 8.150 nan 0.000 0.407 754 E N 1.647 121.849 120.200 0.004 0.000 2.324 754 E HA 0.368 4.718 4.350 -0.000 0.000 0.271 754 E C 0.613 177.223 176.600 0.016 0.000 1.028 754 E CA 0.281 56.687 56.400 0.009 0.000 0.890 754 E CB 0.813 30.519 29.700 0.010 0.000 1.004 754 E HN 0.732 nan 8.360 nan 0.000 0.431 755 S N 1.861 117.574 115.700 0.022 0.000 2.798 755 S HA 0.227 4.697 4.470 -0.000 0.000 0.312 755 S C 0.800 175.427 174.600 0.046 0.000 1.122 755 S CA -0.798 57.424 58.200 0.036 0.000 0.949 755 S CB 1.549 64.775 63.200 0.043 0.000 1.235 755 S HN 0.474 nan 8.310 nan 0.000 0.552 756 E N -0.120 120.117 120.200 0.062 0.000 2.347 756 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 756 E C 1.614 178.264 176.600 0.083 0.000 1.008 756 E CA 1.219 57.661 56.400 0.070 0.000 0.852 756 E CB -0.118 29.631 29.700 0.082 0.000 0.783 756 E HN 0.690 nan 8.360 nan 0.000 0.505 757 Q N -1.546 118.309 119.800 0.092 0.000 2.350 757 Q HA 0.348 4.687 4.340 -0.000 0.000 0.225 757 Q C 0.345 176.384 176.000 0.064 0.000 0.878 757 Q CA 0.352 56.216 55.803 0.103 0.000 0.935 757 Q CB 1.694 30.526 28.738 0.157 0.000 1.099 757 Q HN 0.164 nan 8.270 nan 0.000 0.527 758 G N 0.125 108.949 108.800 0.041 0.000 2.337 758 G HA2 0.065 4.025 3.960 -0.000 0.000 0.298 758 G HA3 0.065 4.025 3.960 -0.000 0.000 0.298 758 G C -1.965 172.934 174.900 -0.001 0.000 1.335 758 G CA -1.021 44.086 45.100 0.012 0.000 0.875 758 G HN -0.045 nan 8.290 nan 0.000 0.579 759 L N 1.255 122.472 121.223 -0.009 0.000 2.500 759 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 759 L C 0.554 177.410 176.870 -0.024 0.000 1.149 759 L CA 0.190 55.023 54.840 -0.011 0.000 0.897 759 L CB 0.512 42.566 42.059 -0.008 0.000 1.178 759 L HN 0.356 nan 8.230 nan 0.000 0.473 760 V N 6.208 126.110 119.914 -0.021 0.000 2.465 760 V HA 0.364 4.483 4.120 -0.000 0.000 0.279 760 V C 0.278 176.360 176.094 -0.019 0.000 1.045 760 V CA -0.625 61.658 62.300 -0.028 0.000 0.938 760 V CB 1.863 33.673 31.823 -0.022 0.000 0.986 760 V HN 0.472 nan 8.190 nan 0.000 0.467 761 V N 5.199 125.106 119.914 -0.011 0.000 2.540 761 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 761 V C -0.218 175.843 176.094 -0.054 0.000 1.035 761 V CA -0.996 61.291 62.300 -0.020 0.000 0.873 761 V CB 1.984 33.807 31.823 0.000 0.000 0.992 761 V HN 0.841 nan 8.190 nan 0.000 0.428 762 K N 6.185 126.523 120.400 -0.104 0.000 2.307 762 K HA 0.491 4.810 4.320 -0.000 0.000 0.263 762 K C -2.688 173.767 176.600 -0.242 0.000 0.973 762 K CA -1.605 54.561 56.287 -0.202 0.000 0.846 762 K CB 2.279 34.685 32.500 -0.155 0.000 1.100 762 K HN 0.421 nan 8.250 nan 0.000 0.438 763 P HA 0.102 nan 4.420 nan 0.000 0.276 763 P C -0.971 176.185 177.300 -0.240 0.000 1.252 763 P CA -0.592 62.322 63.100 -0.311 0.000 0.802 763 P CB 0.863 32.300 31.700 -0.439 0.000 1.035 764 Q N -0.115 119.608 119.800 -0.129 0.000 2.462 764 Q HA 0.534 4.874 4.340 -0.000 0.000 0.247 764 Q C 0.712 176.685 176.000 -0.045 0.000 1.044 764 Q CA 0.540 56.292 55.803 -0.085 0.000 0.803 764 Q CB 0.452 29.159 28.738 -0.052 0.000 1.190 764 Q HN 0.865 nan 8.270 nan 0.000 0.507 765 G N 3.215 111.988 108.800 -0.045 0.000 3.355 765 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.247 765 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.247 765 G C 0.199 175.146 174.900 0.080 0.000 1.818 765 G CA 0.045 45.155 45.100 0.018 0.000 1.309 765 G HN 0.553 nan 8.290 nan 0.000 0.546 766 N N 0.279 119.069 118.700 0.149 0.000 2.300 766 N HA 0.568 5.308 4.740 -0.000 0.000 0.231 766 N C -0.652 175.053 175.510 0.325 0.000 1.406 766 N CA 1.509 54.762 53.050 0.338 0.000 1.064 766 N CB 0.847 39.530 38.487 0.327 0.000 1.280 766 N HN 1.800 nan 8.380 nan 0.000 0.547 767 A N 0.914 123.865 122.820 0.218 0.000 2.498 767 A HA 0.466 4.785 4.320 -0.000 0.000 0.305 767 A C -1.680 175.965 177.584 0.101 0.000 1.031 767 A CA -0.717 51.419 52.037 0.165 0.000 0.998 767 A CB 0.095 19.160 19.000 0.110 0.000 1.429 767 A HN 0.163 nan 8.150 nan 0.000 0.387 768 L N -0.659 120.625 121.223 0.103 0.000 2.230 768 L HA 1.045 5.384 4.340 -0.000 0.000 0.255 768 L C -0.307 176.592 176.870 0.048 0.000 1.039 768 L CA -0.752 54.123 54.840 0.057 0.000 0.846 768 L CB 0.888 42.970 42.059 0.038 0.000 1.419 768 L HN 0.903 nan 8.230 nan 0.000 0.435 769 T N 0.684 115.256 114.554 0.031 0.000 2.928 769 T HA 0.716 5.066 4.350 -0.000 0.000 0.296 769 T C -0.907 173.804 174.700 0.018 0.000 1.000 769 T CA -0.311 61.804 62.100 0.024 0.000 0.989 769 T CB 0.690 69.569 68.868 0.018 0.000 1.005 769 T HN 0.539 nan 8.240 nan 0.000 0.442 770 I N 4.744 125.326 120.570 0.019 0.000 2.404 770 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 770 I C 0.448 176.572 176.117 0.012 0.000 0.992 770 I CA -0.912 60.396 61.300 0.014 0.000 1.149 770 I CB 2.231 40.240 38.000 0.016 0.000 1.315 770 I HN 0.724 nan 8.210 nan 0.000 0.446 771 T N 4.988 119.548 114.554 0.009 0.000 2.772 771 T HA 0.603 4.953 4.350 -0.000 0.000 0.288 771 T C -0.022 174.683 174.700 0.008 0.000 0.994 771 T CA -0.766 61.339 62.100 0.009 0.000 0.951 771 T CB 0.779 69.652 68.868 0.007 0.000 0.933 771 T HN 0.294 nan 8.240 nan 0.000 0.447 772 L N 0.000 121.228 121.223 0.009 0.000 2.949 772 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 772 L CA 0.000 54.845 54.840 0.008 0.000 0.813 772 L CB 0.000 42.064 42.059 0.009 0.000 0.961 772 L HN 0.000 nan 8.230 nan 0.000 0.502