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 2zm9_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALVRLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMAVS KSLCGTVVGV LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEDYVDPA SEVQTHGRSA GWSTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGC AHGGVSCTAR DLARVGRMML DGGVAPRGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERANVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPYTEHW HRLQNGILLD VSRALDAV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.647 174.600 0.078 0.000 1.055 5 S CA 0.000 58.225 58.200 0.041 0.000 1.107 5 S CB 0.000 63.207 63.200 0.011 0.000 0.593 6 T N -0.983 113.634 114.554 0.105 0.000 3.092 6 T HA 0.620 4.972 4.350 0.002 0.000 0.258 6 T C 1.331 176.078 174.700 0.077 0.000 1.031 6 T CA 0.709 62.944 62.100 0.226 0.000 0.925 6 T CB -0.603 68.425 68.868 0.267 0.000 1.036 6 T HN 2.426 nan 8.240 nan 0.000 0.544 7 G N 1.478 110.220 108.800 -0.097 0.000 2.693 7 G HA2 -0.223 3.738 3.960 0.002 0.000 0.226 7 G HA3 -0.223 3.738 3.960 0.002 0.000 0.226 7 G C -0.590 173.988 174.900 -0.537 0.000 1.354 7 G CA -0.373 44.596 45.100 -0.218 0.000 0.873 7 G HN 0.775 nan 8.290 nan 0.000 0.562 8 Q N 0.326 119.882 119.800 -0.407 0.000 2.332 8 Q HA 0.455 4.796 4.340 0.002 0.000 0.263 8 Q C -0.307 175.347 176.000 -0.576 0.000 0.979 8 Q CA -0.249 55.322 55.803 -0.387 0.000 0.885 8 Q CB 0.284 28.921 28.738 -0.168 0.000 1.218 8 Q HN 0.641 nan 8.270 nan 0.000 0.405 9 H N 2.736 121.733 119.070 -0.122 0.000 2.865 9 H HA 0.401 4.958 4.556 0.002 0.000 0.372 9 H C -2.286 173.015 175.328 -0.045 0.000 1.173 9 H CA -2.242 53.725 56.048 -0.134 0.000 1.147 9 H CB 1.154 30.756 29.762 -0.267 0.000 1.805 9 H HN 0.604 nan 8.280 nan 0.000 0.553 10 P HA 0.165 nan 4.420 nan 0.000 0.267 10 P C -0.396 176.908 177.300 0.007 0.000 1.209 10 P CA -0.232 62.913 63.100 0.074 0.000 0.763 10 P CB 0.320 32.089 31.700 0.114 0.000 0.816 11 A N 3.385 126.162 122.820 -0.072 0.000 2.483 11 A HA 0.055 4.376 4.320 0.002 0.000 0.238 11 A C 1.699 179.121 177.584 -0.271 0.000 1.070 11 A CA -0.105 51.816 52.037 -0.193 0.000 0.770 11 A CB 0.101 18.951 19.000 -0.250 0.000 1.008 11 A HN 0.516 nan 8.150 nan 0.000 0.497 12 R N 0.126 120.369 120.500 -0.429 0.000 2.096 12 R HA -0.065 4.276 4.340 0.002 0.000 0.235 12 R C -0.027 175.858 176.300 -0.692 0.000 1.127 12 R CA 2.276 58.025 56.100 -0.585 0.000 0.968 12 R CB -0.379 29.466 30.300 -0.759 0.000 0.861 12 R HN 0.857 nan 8.270 nan 0.000 0.440 13 Y N -4.900 115.088 120.300 -0.520 0.000 2.625 13 Y HA 0.623 5.174 4.550 0.002 0.000 0.338 13 Y C -2.810 173.004 175.900 -0.144 0.000 1.123 13 Y CA -3.982 53.903 58.100 -0.359 0.000 1.046 13 Y CB 0.231 38.458 38.460 -0.390 0.000 1.299 13 Y HN -0.242 nan 8.280 nan 0.000 0.464 14 P HA 0.200 nan 4.420 nan 0.000 0.258 14 P C 0.754 178.126 177.300 0.120 0.000 1.187 14 P CA 2.319 65.478 63.100 0.098 0.000 0.767 14 P CB 0.345 32.120 31.700 0.125 0.000 0.770 15 G N 2.386 111.177 108.800 -0.016 0.000 2.175 15 G HA2 -0.169 3.792 3.960 0.002 0.000 0.244 15 G HA3 -0.169 3.792 3.960 0.002 0.000 0.244 15 G C 0.441 175.279 174.900 -0.103 0.000 0.982 15 G CA -0.104 44.993 45.100 -0.006 0.000 0.641 15 G HN 0.843 nan 8.290 nan 0.000 0.527 16 A N 0.341 122.901 122.820 -0.433 0.000 2.462 16 A HA 0.792 5.113 4.320 0.002 0.000 0.243 16 A C 1.138 178.558 177.584 -0.273 0.000 1.076 16 A CA 1.124 52.770 52.037 -0.651 0.000 0.773 16 A CB 0.331 18.481 19.000 -1.416 0.000 1.010 16 A HN 2.117 nan 8.150 nan 0.000 0.493 17 A N 1.596 124.345 122.820 -0.119 0.000 2.386 17 A HA 0.545 4.866 4.320 0.002 0.000 0.246 17 A C 0.980 178.510 177.584 -0.090 0.000 1.089 17 A CA 0.162 52.164 52.037 -0.057 0.000 0.790 17 A CB -0.290 18.724 19.000 0.023 0.000 1.042 17 A HN 2.305 nan 8.150 nan 0.000 0.497 18 A N -0.099 122.688 122.820 -0.054 0.000 2.548 18 A HA 0.468 4.789 4.320 0.002 0.000 0.247 18 A C 1.602 179.166 177.584 -0.033 0.000 1.067 18 A CA 0.809 52.822 52.037 -0.039 0.000 0.757 18 A CB -1.065 17.926 19.000 -0.015 0.000 0.996 18 A HN 2.755 nan 8.150 nan 0.000 0.504 19 G N 1.472 110.249 108.800 -0.038 0.000 2.162 19 G HA2 -0.185 3.777 3.960 0.002 0.000 0.260 19 G HA3 -0.185 3.777 3.960 0.002 0.000 0.260 19 G C -0.007 174.851 174.900 -0.070 0.000 0.976 19 G CA 0.497 45.578 45.100 -0.031 0.000 0.655 19 G HN 0.814 nan 8.290 nan 0.000 0.533 20 E N 0.997 121.121 120.200 -0.127 0.000 2.191 20 E HA 0.469 4.820 4.350 0.002 0.000 0.274 20 E C -2.279 174.184 176.600 -0.229 0.000 0.948 20 E CA -1.667 54.608 56.400 -0.209 0.000 0.802 20 E CB 2.511 32.096 29.700 -0.191 0.000 1.137 20 E HN 0.255 nan 8.360 nan 0.000 0.397 21 P HA 0.158 nan 4.420 nan 0.000 0.280 21 P C -0.239 177.058 177.300 -0.006 0.000 1.272 21 P CA -0.310 62.656 63.100 -0.223 0.000 0.819 21 P CB 0.922 32.633 31.700 0.020 0.000 1.122 22 T N -2.240 112.336 114.554 0.038 0.000 2.922 22 T HA 0.232 4.583 4.350 0.002 0.000 0.281 22 T C 1.140 175.993 174.700 0.256 0.000 1.005 22 T CA -0.713 61.457 62.100 0.116 0.000 0.982 22 T CB 0.163 69.076 68.868 0.075 0.000 1.158 22 T HN 0.141 nan 8.240 nan 0.000 0.566 23 L N 0.311 121.681 121.223 0.245 0.000 2.187 23 L HA 0.014 4.355 4.340 0.002 0.000 0.213 23 L C 1.405 178.501 176.870 0.377 0.000 1.100 23 L CA 1.908 56.965 54.840 0.362 0.000 0.765 23 L CB -0.857 41.334 42.059 0.220 0.000 0.904 23 L HN 0.678 nan 8.230 nan 0.000 0.437 24 D N -2.038 118.481 120.400 0.197 0.000 2.349 24 D HA 0.082 4.723 4.640 0.002 0.000 0.214 24 D C 1.644 177.956 176.300 0.021 0.000 1.063 24 D CA 0.966 55.019 54.000 0.087 0.000 0.847 24 D CB 0.472 41.312 40.800 0.066 0.000 0.933 24 D HN 0.544 nan 8.370 nan 0.000 0.513 25 S N -0.610 115.130 115.700 0.068 0.000 2.733 25 S HA -0.006 4.465 4.470 0.002 0.000 0.247 25 S C 1.694 176.377 174.600 0.139 0.000 1.043 25 S CA -0.817 57.423 58.200 0.066 0.000 1.066 25 S CB -0.747 62.491 63.200 0.064 0.000 1.045 25 S HN 0.405 nan 8.310 nan 0.000 0.586 26 W N 1.910 123.301 121.300 0.151 0.000 2.421 26 W HA 0.047 4.708 4.660 0.002 0.000 0.270 26 W C 0.967 177.617 176.519 0.218 0.000 1.233 26 W CA 0.688 58.161 57.345 0.213 0.000 1.226 26 W CB -0.750 28.846 29.460 0.225 0.000 1.121 26 W HN 0.402 nan 8.180 nan 0.000 0.579 27 Q N 0.947 120.493 119.800 -0.422 0.000 2.432 27 Q HA 0.026 4.367 4.340 0.002 0.000 0.205 27 Q C 0.183 176.122 176.000 -0.102 0.000 0.945 27 Q CA 0.635 56.234 55.803 -0.340 0.000 0.924 27 Q CB 0.117 28.458 28.738 -0.662 0.000 1.016 27 Q HN 0.409 nan 8.270 nan 0.000 0.503 28 E N 1.881 122.067 120.200 -0.022 0.000 2.283 28 E HA 0.221 4.572 4.350 0.002 0.000 0.271 28 E C -2.416 174.146 176.600 -0.063 0.000 1.031 28 E CA -2.269 54.127 56.400 -0.007 0.000 0.868 28 E CB 0.829 30.562 29.700 0.054 0.000 1.094 28 E HN -0.030 nan 8.360 nan 0.000 0.401 29 P HA 0.089 nan 4.420 nan 0.000 0.277 29 P C -2.159 174.946 177.300 -0.325 0.000 1.240 29 P CA -1.381 61.603 63.100 -0.193 0.000 0.798 29 P CB 0.611 32.236 31.700 -0.125 0.000 0.979 30 P HA -0.008 nan 4.420 nan 0.000 0.255 30 P C 1.009 178.130 177.300 -0.298 0.000 1.248 30 P CA 0.792 63.731 63.100 -0.268 0.000 0.807 30 P CB -0.125 31.492 31.700 -0.139 0.000 1.150 31 H N 1.725 120.782 119.070 -0.022 0.000 2.421 31 H HA -0.087 4.470 4.556 0.002 0.000 0.298 31 H C 1.682 176.967 175.328 -0.072 0.000 1.087 31 H CA 1.627 57.679 56.048 0.006 0.000 1.330 31 H CB -0.992 28.920 29.762 0.250 0.000 1.388 31 H HN 0.350 nan 8.280 nan 0.000 0.526 32 N N 1.994 120.624 118.700 -0.117 0.000 2.381 32 N HA -0.134 4.607 4.740 0.002 0.000 0.182 32 N C 1.671 176.776 175.510 -0.675 0.000 1.025 32 N CA 0.567 53.317 53.050 -0.500 0.000 0.888 32 N CB -0.464 37.504 38.487 -0.865 0.000 0.965 32 N HN 0.288 nan 8.380 nan 0.000 0.438 33 R N -0.798 119.482 120.500 -0.367 0.000 2.096 33 R HA -0.116 4.225 4.340 0.002 0.000 0.235 33 R C 1.818 178.085 176.300 -0.054 0.000 1.127 33 R CA 1.458 57.433 56.100 -0.209 0.000 0.968 33 R CB -0.529 29.684 30.300 -0.145 0.000 0.861 33 R HN 0.427 nan 8.270 nan 0.000 0.440 34 W N 1.389 122.557 121.300 -0.220 0.000 2.441 34 W HA -0.003 4.658 4.660 0.002 0.000 0.302 34 W C 2.250 178.883 176.519 0.191 0.000 1.191 34 W CA 1.325 58.657 57.345 -0.021 0.000 1.327 34 W CB -0.253 29.096 29.460 -0.184 0.000 1.128 34 W HN 0.045 nan 8.180 nan 0.000 0.522 35 A N -0.091 122.800 122.820 0.119 0.000 1.933 35 A HA -0.146 4.175 4.320 0.002 0.000 0.218 35 A C 1.800 179.408 177.584 0.039 0.000 1.175 35 A CA 1.414 53.436 52.037 -0.025 0.000 0.628 35 A CB -1.361 17.919 19.000 0.467 0.000 0.814 35 A HN 0.363 nan 8.150 nan 0.000 0.444 36 F N -0.267 119.666 119.950 -0.028 0.000 2.451 36 F HA 0.037 4.565 4.527 0.002 0.000 0.299 36 F C 2.375 178.055 175.800 -0.201 0.000 1.101 36 F CA 0.217 58.185 58.000 -0.053 0.000 1.436 36 F CB -0.820 38.192 39.000 0.020 0.000 1.074 36 F HN 0.303 nan 8.300 nan 0.000 0.553 37 A N -1.791 120.944 122.820 -0.141 0.000 2.348 37 A HA 0.138 4.459 4.320 0.002 0.000 0.224 37 A C 0.072 177.117 177.584 -0.899 0.000 1.227 37 A CA 0.164 51.937 52.037 -0.441 0.000 0.885 37 A CB -0.656 18.083 19.000 -0.435 0.000 0.933 37 A HN 0.425 nan 8.150 nan 0.000 0.506 38 H N -1.832 116.920 119.070 -0.530 0.000 3.064 38 H HA 0.206 4.763 4.556 0.002 0.000 0.232 38 H C 0.722 175.732 175.328 -0.530 0.000 1.308 38 H CA -0.423 55.262 56.048 -0.605 0.000 1.010 38 H CB 0.315 29.448 29.762 -1.048 0.000 2.408 38 H HN 0.205 nan 8.280 nan 0.000 0.599 39 L N 0.553 121.571 121.223 -0.342 0.000 2.191 39 L HA 0.066 4.407 4.340 0.002 0.000 0.212 39 L C 2.254 178.929 176.870 -0.325 0.000 1.103 39 L CA 1.871 56.471 54.840 -0.399 0.000 0.769 39 L CB -0.554 41.263 42.059 -0.404 0.000 0.908 39 L HN 0.530 nan 8.230 nan 0.000 0.438 40 G N -1.289 107.376 108.800 -0.225 0.000 2.498 40 G HA2 -0.221 3.740 3.960 0.002 0.000 0.219 40 G HA3 -0.221 3.740 3.960 0.002 0.000 0.219 40 G C 1.377 176.209 174.900 -0.115 0.000 1.119 40 G CA 0.578 45.581 45.100 -0.161 0.000 0.766 40 G HN 0.541 nan 8.290 nan 0.000 0.552 41 E N -0.565 119.583 120.200 -0.087 0.000 2.427 41 E HA 0.020 4.371 4.350 0.002 0.000 0.196 41 E C 1.918 178.529 176.600 0.018 0.000 1.028 41 E CA 0.392 56.804 56.400 0.020 0.000 0.864 41 E CB 0.048 29.852 29.700 0.174 0.000 0.813 41 E HN 0.382 nan 8.360 nan 0.000 0.514 42 M N -0.455 119.084 119.600 -0.102 0.000 2.838 42 M HA 0.153 4.634 4.480 0.002 0.000 0.251 42 M C 0.494 176.700 176.300 -0.157 0.000 1.393 42 M CA 0.531 55.751 55.300 -0.133 0.000 1.196 42 M CB 0.708 33.097 32.600 -0.352 0.000 1.276 42 M HN -0.259 nan 8.290 nan 0.000 0.541 43 V N 1.876 121.655 119.914 -0.225 0.000 2.588 43 V HA 0.409 4.530 4.120 0.002 0.000 0.304 43 V C -2.386 173.634 176.094 -0.123 0.000 1.042 43 V CA -1.761 60.445 62.300 -0.157 0.000 0.877 43 V CB 1.850 33.549 31.823 -0.206 0.000 0.996 43 V HN 0.079 nan 8.190 nan 0.000 0.425 44 P HA 0.231 nan 4.420 nan 0.000 0.264 44 P C -0.587 176.661 177.300 -0.087 0.000 1.183 44 P CA 0.475 63.527 63.100 -0.080 0.000 0.763 44 P CB 0.419 32.082 31.700 -0.061 0.000 0.807 45 S N 0.841 116.485 115.700 -0.095 0.000 2.541 45 S HA 0.750 5.222 4.470 0.002 0.000 0.271 45 S C -0.974 173.572 174.600 -0.091 0.000 1.133 45 S CA -0.579 57.563 58.200 -0.096 0.000 0.876 45 S CB 2.028 65.159 63.200 -0.116 0.000 1.105 45 S HN 0.510 nan 8.310 nan 0.000 0.470 46 A N 1.325 124.095 122.820 -0.083 0.000 2.337 46 A HA 0.904 5.225 4.320 0.002 0.000 0.331 46 A C -0.043 177.493 177.584 -0.080 0.000 1.137 46 A CA -0.679 51.310 52.037 -0.079 0.000 0.807 46 A CB 0.869 19.828 19.000 -0.068 0.000 1.250 46 A HN 1.133 nan 8.150 nan 0.000 0.468 47 A N 0.765 123.536 122.820 -0.081 0.000 2.401 47 A HA 0.538 4.859 4.320 0.002 0.000 0.259 47 A C -0.279 177.262 177.584 -0.072 0.000 1.103 47 A CA -0.193 51.796 52.037 -0.080 0.000 0.789 47 A CB 0.063 19.012 19.000 -0.086 0.000 1.035 47 A HN 1.122 nan 8.150 nan 0.000 0.491 48 V N 3.189 123.062 119.914 -0.068 0.000 2.311 48 V HA 0.263 4.384 4.120 0.002 0.000 0.275 48 V C 0.768 176.826 176.094 -0.060 0.000 1.022 48 V CA -0.337 61.927 62.300 -0.060 0.000 0.830 48 V CB 0.923 32.712 31.823 -0.057 0.000 1.012 48 V HN 0.952 nan 8.190 nan 0.000 0.452 49 S N 4.589 120.254 115.700 -0.060 0.000 2.549 49 S HA 0.164 4.635 4.470 0.002 0.000 0.279 49 S C 1.441 176.009 174.600 -0.053 0.000 1.321 49 S CA -0.391 57.772 58.200 -0.062 0.000 1.054 49 S CB 0.409 63.570 63.200 -0.065 0.000 0.899 49 S HN 0.851 nan 8.310 nan 0.000 0.497 50 R N 3.806 124.274 120.500 -0.053 0.000 2.275 50 R HA 0.169 4.511 4.340 0.002 0.000 0.199 50 R C 0.137 176.411 176.300 -0.044 0.000 0.989 50 R CA 0.234 56.306 56.100 -0.046 0.000 1.016 50 R CB 0.013 30.286 30.300 -0.045 0.000 0.918 50 R HN 0.441 nan 8.270 nan 0.000 0.473 51 R N 1.971 122.442 120.500 -0.049 0.000 2.407 51 R HA 0.373 4.714 4.340 0.002 0.000 0.303 51 R C -2.140 174.135 176.300 -0.042 0.000 0.981 51 R CA -2.050 54.022 56.100 -0.046 0.000 0.905 51 R CB 0.886 31.152 30.300 -0.056 0.000 1.099 51 R HN 0.060 nan 8.270 nan 0.000 0.459 58 H N 0.081 119.159 119.070 0.012 0.000 2.768 58 H HA 0.818 5.375 4.556 0.002 0.000 0.371 58 H C -0.089 175.246 175.328 0.010 0.000 1.151 58 H CA -0.696 55.362 56.048 0.016 0.000 1.165 58 H CB 1.184 30.956 29.762 0.017 0.000 1.722 58 H HN 0.265 nan 8.280 nan 0.000 0.543 59 A N 2.217 125.016 122.820 -0.036 0.000 2.445 59 A HA 0.318 4.639 4.320 0.002 0.000 0.242 59 A C -0.208 177.272 177.584 -0.174 0.000 1.075 59 A CA -0.563 51.387 52.037 -0.146 0.000 0.777 59 A CB -0.022 18.942 19.000 -0.059 0.000 1.013 59 A HN 0.566 nan 8.150 nan 0.000 0.493 60 L N 3.364 124.468 121.223 -0.198 0.000 2.260 60 L HA 0.534 4.875 4.340 0.002 0.000 0.289 60 L C -0.665 176.201 176.870 -0.008 0.000 1.057 60 L CA 0.219 55.025 54.840 -0.057 0.000 0.811 60 L CB 1.192 43.288 42.059 0.061 0.000 1.184 60 L HN 0.342 nan 8.230 nan 0.000 0.429 61 V N 6.535 126.504 119.914 0.092 0.000 2.349 61 V HA 0.532 4.653 4.120 0.002 0.000 0.284 61 V C 0.024 176.202 176.094 0.140 0.000 1.014 61 V CA -0.540 61.865 62.300 0.175 0.000 0.826 61 V CB 1.044 32.984 31.823 0.195 0.000 1.009 61 V HN 0.688 nan 8.190 nan 0.000 0.431 62 R N 4.562 125.150 120.500 0.147 0.000 2.653 62 R HA 0.421 4.762 4.340 0.002 0.000 0.269 62 R C 0.243 176.616 176.300 0.120 0.000 1.603 62 R CA -0.338 55.833 56.100 0.118 0.000 1.671 62 R CB 0.951 31.320 30.300 0.115 0.000 1.300 62 R HN 0.617 nan 8.270 nan 0.000 0.668 63 L N 0.499 121.789 121.223 0.113 0.000 2.599 63 L HA 0.124 4.465 4.340 0.002 0.000 0.230 63 L C 1.394 178.317 176.870 0.088 0.000 1.141 63 L CA 0.531 55.441 54.840 0.116 0.000 0.877 63 L CB -0.402 41.703 42.059 0.076 0.000 1.009 63 L HN 0.766 nan 8.230 nan 0.000 0.447 64 G N 0.987 109.830 108.800 0.072 0.000 2.596 64 G HA2 -0.417 3.544 3.960 0.002 0.000 0.295 64 G HA3 -0.417 3.544 3.960 0.002 0.000 0.295 64 G C 0.561 175.489 174.900 0.046 0.000 1.240 64 G CA 0.193 45.327 45.100 0.057 0.000 0.985 64 G HN 0.414 nan 8.290 nan 0.000 0.555 65 A N 0.110 122.956 122.820 0.042 0.000 2.579 65 A HA 0.604 4.925 4.320 0.002 0.000 0.273 65 A C 1.716 179.321 177.584 0.035 0.000 1.363 65 A CA 0.984 53.041 52.037 0.034 0.000 0.953 65 A CB -0.776 18.241 19.000 0.030 0.000 1.034 65 A HN 1.529 nan 8.150 nan 0.000 0.536 66 I N -5.777 114.819 120.570 0.043 0.000 4.288 66 I HA 0.372 4.543 4.170 0.002 0.000 0.331 66 I C 1.714 177.845 176.117 0.023 0.000 1.322 66 I CA 0.638 61.962 61.300 0.039 0.000 1.149 66 I CB 0.197 38.235 38.000 0.063 0.000 1.112 66 I HN 0.051 nan 8.210 nan 0.000 0.403 67 A N 2.014 124.848 122.820 0.023 0.000 1.933 67 A HA 0.037 4.358 4.320 0.002 0.000 0.218 67 A C 2.531 180.114 177.584 -0.001 0.000 1.175 67 A CA 1.920 53.961 52.037 0.007 0.000 0.628 67 A CB -0.692 18.318 19.000 0.016 0.000 0.814 67 A HN 0.572 nan 8.150 nan 0.000 0.444 68 A N -0.776 122.048 122.820 0.007 0.000 1.930 68 A HA -0.166 4.155 4.320 0.002 0.000 0.217 68 A C 2.079 179.662 177.584 -0.001 0.000 1.175 68 A CA 1.594 53.633 52.037 0.003 0.000 0.627 68 A CB -0.419 18.585 19.000 0.008 0.000 0.815 68 A HN 0.652 nan 8.150 nan 0.000 0.443 69 Q N -1.072 118.728 119.800 0.000 0.000 2.269 69 Q HA 0.229 4.570 4.340 0.002 0.000 0.201 69 Q C -0.244 175.748 176.000 -0.014 0.000 0.946 69 Q CA 0.457 56.258 55.803 -0.003 0.000 0.877 69 Q CB 0.137 28.878 28.738 0.005 0.000 0.963 69 Q HN 0.568 nan 8.270 nan 0.000 0.472 70 L N 1.764 122.974 121.223 -0.021 0.000 2.556 70 L HA 0.271 4.612 4.340 0.002 0.000 0.243 70 L C -1.894 174.946 176.870 -0.050 0.000 1.331 70 L CA -1.325 53.490 54.840 -0.042 0.000 0.927 70 L CB 1.009 43.035 42.059 -0.055 0.000 1.219 70 L HN -0.070 nan 8.230 nan 0.000 0.490 71 P HA -0.149 nan 4.420 nan 0.000 0.219 71 P C 0.326 177.593 177.300 -0.055 0.000 1.146 71 P CA 1.206 64.282 63.100 -0.039 0.000 0.808 71 P CB 0.409 32.092 31.700 -0.028 0.000 0.779 72 D N -1.030 119.328 120.400 -0.070 0.000 2.358 72 D HA 0.051 4.693 4.640 0.002 0.000 0.224 72 D C 1.654 177.875 176.300 -0.131 0.000 1.123 72 D CA -0.234 53.715 54.000 -0.086 0.000 0.833 72 D CB -0.161 40.593 40.800 -0.076 0.000 0.946 72 D HN 0.044 nan 8.370 nan 0.000 0.505 73 L N 1.308 122.441 121.223 -0.151 0.000 2.046 73 L HA -0.144 4.197 4.340 0.002 0.000 0.208 73 L C 2.094 178.767 176.870 -0.328 0.000 1.077 73 L CA 1.863 56.562 54.840 -0.235 0.000 0.747 73 L CB -0.312 41.607 42.059 -0.233 0.000 0.896 73 L HN -0.022 nan 8.230 nan 0.000 0.432 74 E N -1.040 118.988 120.200 -0.286 0.000 2.085 74 E HA -0.332 4.019 4.350 0.002 0.000 0.194 74 E C 2.210 178.615 176.600 -0.326 0.000 0.994 74 E CA 1.584 57.759 56.400 -0.374 0.000 0.801 74 E CB -0.203 29.382 29.700 -0.191 0.000 0.743 74 E HN 0.708 nan 8.360 nan 0.000 0.453 75 Q N 0.198 119.877 119.800 -0.202 0.000 2.124 75 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 75 Q C 2.178 178.075 176.000 -0.171 0.000 0.977 75 Q CA 1.450 57.162 55.803 -0.153 0.000 0.850 75 Q CB 0.064 28.742 28.738 -0.101 0.000 0.901 75 Q HN 0.199 nan 8.270 nan 0.000 0.429 76 R N -0.174 120.208 120.500 -0.196 0.000 2.092 76 R HA -0.083 4.258 4.340 0.002 0.000 0.231 76 R C 2.361 178.528 176.300 -0.221 0.000 1.119 76 R CA 1.214 57.205 56.100 -0.183 0.000 0.970 76 R CB -0.208 29.977 30.300 -0.193 0.000 0.864 76 R HN 0.315 nan 8.270 nan 0.000 0.440 77 L N 0.544 121.551 121.223 -0.360 0.000 2.056 77 L HA -0.148 4.193 4.340 0.002 0.000 0.207 77 L C 2.181 178.882 176.870 -0.282 0.000 1.078 77 L CA 1.395 55.981 54.840 -0.423 0.000 0.749 77 L CB -0.417 41.156 42.059 -0.810 0.000 0.901 77 L HN 0.219 nan 8.230 nan 0.000 0.433 78 E N -0.012 120.022 120.200 -0.277 0.000 2.085 78 E HA -0.271 4.080 4.350 0.002 0.000 0.194 78 E C 2.207 178.693 176.600 -0.189 0.000 0.994 78 E CA 1.187 57.476 56.400 -0.184 0.000 0.801 78 E CB -0.106 29.511 29.700 -0.139 0.000 0.743 78 E HN 0.552 nan 8.360 nan 0.000 0.453 79 Q N -0.154 119.579 119.800 -0.111 0.000 2.224 79 Q HA -0.084 4.257 4.340 0.002 0.000 0.203 79 Q C 1.506 177.610 176.000 0.175 0.000 0.970 79 Q CA 1.524 57.329 55.803 0.003 0.000 0.865 79 Q CB 0.075 28.830 28.738 0.028 0.000 0.922 79 Q HN 0.286 nan 8.270 nan 0.000 0.445 80 T N -3.984 110.640 114.554 0.116 0.000 3.251 80 T HA 0.134 4.485 4.350 0.002 0.000 0.259 80 T C -0.374 174.517 174.700 0.318 0.000 0.998 80 T CA -0.553 61.690 62.100 0.237 0.000 0.905 80 T CB -0.374 68.617 68.868 0.206 0.000 1.067 80 T HN 0.248 nan 8.240 nan 0.000 0.569 81 Y N 0.586 120.897 120.300 0.018 0.000 3.305 81 Y HA -0.238 4.313 4.550 0.002 0.000 0.212 81 Y C 0.546 176.452 175.900 0.011 0.000 1.248 81 Y CA 0.303 58.413 58.100 0.016 0.000 1.359 81 Y CB -2.687 35.765 38.460 -0.014 0.000 1.407 81 Y HN 0.326 nan 8.280 nan 0.000 0.572 82 T N 0.594 115.189 114.554 0.068 0.000 2.851 82 T HA 0.059 4.411 4.350 0.002 0.000 0.298 82 T C 0.942 175.684 174.700 0.070 0.000 0.977 82 T CA -0.127 61.999 62.100 0.043 0.000 1.126 82 T CB 0.892 69.751 68.868 -0.014 0.000 0.916 82 T HN 0.271 nan 8.240 nan 0.000 0.529 83 D N 1.422 121.774 120.400 -0.081 0.000 2.431 83 D HA 0.282 4.923 4.640 0.002 0.000 0.235 83 D C 0.657 176.715 176.300 -0.404 0.000 0.980 83 D CA 0.333 54.177 54.000 -0.261 0.000 0.912 83 D CB 0.437 41.012 40.800 -0.375 0.000 1.056 83 D HN 0.612 nan 8.370 nan 0.000 0.494 84 A N 0.151 122.758 122.820 -0.354 0.000 2.486 84 A HA 0.594 4.915 4.320 0.002 0.000 0.300 84 A C -1.850 175.705 177.584 -0.048 0.000 1.048 84 A CA -0.563 51.356 52.037 -0.198 0.000 0.696 84 A CB 1.665 20.615 19.000 -0.083 0.000 1.278 84 A HN 0.051 nan 8.150 nan 0.000 0.405 85 F N 1.962 121.744 119.950 -0.279 0.000 2.573 85 F HA 0.744 5.272 4.527 0.002 0.000 0.316 85 F C -1.660 174.025 175.800 -0.191 0.000 1.148 85 F CA -0.735 57.166 58.000 -0.164 0.000 0.940 85 F CB 1.585 40.535 39.000 -0.084 0.000 1.214 85 F HN 0.679 nan 8.300 nan 0.000 0.448 86 L N 6.879 127.663 121.223 -0.731 0.000 2.493 86 L HA 0.778 5.119 4.340 0.002 0.000 0.265 86 L C -1.887 174.641 176.870 -0.570 0.000 0.954 86 L CA -0.667 53.869 54.840 -0.506 0.000 0.844 86 L CB 2.139 44.101 42.059 -0.162 0.000 1.302 86 L HN 0.472 nan 8.230 nan 0.000 0.405 87 V N 5.206 124.877 119.914 -0.406 0.000 2.409 87 V HA 0.441 4.562 4.120 0.002 0.000 0.291 87 V C -0.550 175.487 176.094 -0.095 0.000 1.020 87 V CA -0.482 61.671 62.300 -0.245 0.000 0.848 87 V CB 1.640 33.356 31.823 -0.179 0.000 0.990 87 V HN 0.557 nan 8.190 nan 0.000 0.430 88 L N 6.075 127.268 121.223 -0.050 0.000 2.294 88 L HA 0.569 4.910 4.340 0.002 0.000 0.283 88 L C 0.015 176.888 176.870 0.005 0.000 1.015 88 L CA -0.053 54.780 54.840 -0.012 0.000 0.831 88 L CB 0.944 43.002 42.059 -0.000 0.000 1.217 88 L HN 0.633 nan 8.230 nan 0.000 0.420 89 R N 4.584 125.090 120.500 0.009 0.000 2.229 89 R HA 0.566 4.907 4.340 0.002 0.000 0.332 89 R C 0.655 176.963 176.300 0.013 0.000 0.989 89 R CA 0.584 56.693 56.100 0.016 0.000 0.842 89 R CB 0.669 30.981 30.300 0.020 0.000 1.119 89 R HN 0.948 nan 8.270 nan 0.000 0.456 90 G N 2.745 111.552 108.800 0.012 0.000 2.596 90 G HA2 -0.453 3.508 3.960 0.002 0.000 0.304 90 G HA3 -0.453 3.508 3.960 0.002 0.000 0.304 90 G C 0.587 175.490 174.900 0.006 0.000 1.189 90 G CA 0.811 45.916 45.100 0.008 0.000 0.986 90 G HN 0.668 nan 8.290 nan 0.000 0.548 91 T N -1.093 113.464 114.554 0.005 0.000 3.069 91 T HA 0.484 4.835 4.350 0.002 0.000 0.252 91 T C 0.586 175.289 174.700 0.005 0.000 1.053 91 T CA 1.236 63.338 62.100 0.003 0.000 0.964 91 T CB 0.597 69.465 68.868 0.000 0.000 1.005 91 T HN 0.752 nan 8.240 nan 0.000 0.532 92 E N 1.474 121.679 120.200 0.008 0.000 2.166 92 E HA 0.437 4.788 4.350 0.002 0.000 0.275 92 E C -1.034 175.573 176.600 0.012 0.000 0.941 92 E CA -0.771 55.636 56.400 0.011 0.000 0.784 92 E CB 1.751 31.459 29.700 0.013 0.000 1.115 92 E HN 0.051 nan 8.360 nan 0.000 0.399 93 V N 6.074 125.998 119.914 0.016 0.000 2.415 93 V HA -0.002 4.120 4.120 0.002 0.000 0.267 93 V C 1.138 177.245 176.094 0.021 0.000 1.042 93 V CA 0.069 62.379 62.300 0.016 0.000 1.000 93 V CB 0.626 32.468 31.823 0.032 0.000 1.015 93 V HN 0.687 nan 8.190 nan 0.000 0.478 94 V N 1.997 121.919 119.914 0.014 0.000 3.643 94 V HA 0.751 4.872 4.120 0.002 0.000 0.280 94 V C 0.619 176.736 176.094 0.039 0.000 1.351 94 V CA 0.607 62.922 62.300 0.026 0.000 1.073 94 V CB 0.076 31.914 31.823 0.025 0.000 0.863 94 V HN 0.861 nan 8.190 nan 0.000 0.436 95 A N -0.184 122.653 122.820 0.028 0.000 2.540 95 A HA 0.801 5.122 4.320 0.002 0.000 0.297 95 A C -0.972 176.636 177.584 0.039 0.000 1.056 95 A CA -0.492 51.587 52.037 0.070 0.000 0.700 95 A CB 1.567 20.645 19.000 0.131 0.000 1.280 95 A HN 0.382 nan 8.150 nan 0.000 0.398 96 E N 0.026 120.289 120.200 0.105 0.000 2.331 96 E HA 0.530 4.881 4.350 0.002 0.000 0.275 96 E C -2.119 174.541 176.600 0.100 0.000 0.895 96 E CA -0.543 55.878 56.400 0.036 0.000 0.753 96 E CB 2.766 32.520 29.700 0.090 0.000 1.216 96 E HN 0.669 nan 8.360 nan 0.000 0.434 97 Y N 1.893 122.040 120.300 -0.255 0.000 2.441 97 Y HA 0.465 5.016 4.550 0.002 0.000 0.334 97 Y C -2.174 173.373 175.900 -0.588 0.000 1.061 97 Y CA -0.610 57.349 58.100 -0.235 0.000 1.032 97 Y CB 1.249 39.664 38.460 -0.075 0.000 1.266 97 Y HN 0.500 nan 8.280 nan 0.000 0.441 98 Y N 4.671 124.577 120.300 -0.656 0.000 2.406 98 Y HA 0.502 5.053 4.550 0.002 0.000 0.340 98 Y C -0.294 175.156 175.900 -0.751 0.000 0.975 98 Y CA -1.303 56.515 58.100 -0.470 0.000 1.056 98 Y CB 1.580 40.006 38.460 -0.056 0.000 1.210 98 Y HN 0.689 nan 8.280 nan 0.000 0.448 99 R N 1.504 121.799 120.500 -0.341 0.000 2.774 99 R HA 0.680 5.021 4.340 0.002 0.000 0.269 99 R C -0.067 176.208 176.300 -0.041 0.000 1.068 99 R CA -0.427 55.570 56.100 -0.173 0.000 1.180 99 R CB 0.420 30.744 30.300 0.040 0.000 1.077 99 R HN 0.714 nan 8.270 nan 0.000 0.513 100 A N 0.997 123.807 122.820 -0.017 0.000 2.567 100 A HA 0.362 4.684 4.320 0.002 0.000 0.240 100 A C 1.439 179.053 177.584 0.050 0.000 1.053 100 A CA 0.581 52.620 52.037 0.005 0.000 0.755 100 A CB -0.791 18.233 19.000 0.040 0.000 0.978 100 A HN 1.291 nan 8.150 nan 0.000 0.507 101 G N 0.785 109.607 108.800 0.036 0.000 2.213 101 G HA2 -0.222 3.740 3.960 0.002 0.000 0.236 101 G HA3 -0.222 3.740 3.960 0.002 0.000 0.236 101 G C 0.023 174.975 174.900 0.087 0.000 0.991 101 G CA 0.400 45.530 45.100 0.051 0.000 0.629 101 G HN 1.442 nan 8.290 nan 0.000 0.517 102 F N 2.397 122.326 119.950 -0.034 0.000 2.403 102 F HA 0.743 5.271 4.527 0.002 0.000 0.355 102 F C 0.410 176.163 175.800 -0.079 0.000 1.119 102 F CA -0.291 57.699 58.000 -0.018 0.000 1.007 102 F CB 1.193 40.228 39.000 0.058 0.000 1.194 102 F HN 0.407 nan 8.300 nan 0.000 0.443 103 A N 7.316 129.861 122.820 -0.459 0.000 2.322 103 A HA 0.453 4.774 4.320 0.002 0.000 0.269 103 A C -1.899 175.341 177.584 -0.575 0.000 1.094 103 A CA -1.379 50.411 52.037 -0.411 0.000 0.807 103 A CB 0.224 19.010 19.000 -0.356 0.000 1.047 103 A HN 0.659 nan 8.150 nan 0.000 0.487 104 P HA -0.166 nan 4.420 nan 0.000 0.217 104 P C 0.415 177.432 177.300 -0.472 0.000 1.148 104 P CA 1.803 64.248 63.100 -1.092 0.000 0.828 104 P CB 0.087 31.328 31.700 -0.766 0.000 0.783 105 D N -2.749 117.452 120.400 -0.332 0.000 2.368 105 D HA 0.030 4.671 4.640 0.002 0.000 0.218 105 D C -0.096 176.075 176.300 -0.214 0.000 1.112 105 D CA -0.130 53.758 54.000 -0.186 0.000 0.834 105 D CB -0.701 40.018 40.800 -0.135 0.000 0.953 105 D HN 0.020 nan 8.370 nan 0.000 0.505 106 D N 1.231 121.382 120.400 -0.415 0.000 2.382 106 D HA 0.176 4.817 4.640 0.002 0.000 0.240 106 D C 0.545 176.724 176.300 -0.202 0.000 1.146 106 D CA 0.098 53.785 54.000 -0.523 0.000 0.897 106 D CB 1.089 41.144 40.800 -1.242 0.000 1.197 106 D HN 0.059 nan 8.370 nan 0.000 0.432 107 R N 0.896 121.354 120.500 -0.070 0.000 2.536 107 R HA 0.400 4.742 4.340 0.002 0.000 0.279 107 R C 0.015 176.483 176.300 0.279 0.000 1.001 107 R CA -0.641 55.531 56.100 0.119 0.000 1.027 107 R CB 1.378 31.694 30.300 0.027 0.000 1.096 107 R HN 0.478 nan 8.270 nan 0.000 0.502 108 H N 1.823 121.014 119.070 0.202 0.000 2.771 108 H HA 0.178 4.735 4.556 0.002 0.000 0.361 108 H C -1.186 174.168 175.328 0.043 0.000 1.108 108 H CA -0.938 55.213 56.048 0.172 0.000 1.201 108 H CB 1.628 31.494 29.762 0.173 0.000 1.681 108 H HN 0.313 nan 8.280 nan 0.000 0.534 109 L N 4.911 126.108 121.223 -0.044 0.000 2.540 109 L HA -0.015 4.327 4.340 0.002 0.000 0.276 109 L C 0.346 177.325 176.870 0.181 0.000 1.212 109 L CA 0.550 55.387 54.840 -0.005 0.000 0.893 109 L CB 0.126 42.082 42.059 -0.172 0.000 1.138 109 L HN 0.718 nan 8.230 nan 0.000 0.491 110 L N 4.891 126.181 121.223 0.111 0.000 2.529 110 L HA 0.036 4.377 4.340 0.002 0.000 0.223 110 L C 1.270 178.203 176.870 0.105 0.000 1.113 110 L CA -0.295 54.612 54.840 0.112 0.000 0.861 110 L CB -0.187 41.922 42.059 0.083 0.000 1.012 110 L HN 0.746 nan 8.230 nan 0.000 0.461 111 M N 0.007 119.680 119.600 0.123 0.000 7.319 111 M HA -0.372 4.109 4.480 0.002 0.000 0.191 111 M C 1.543 177.937 176.300 0.156 0.000 0.480 111 M CA 2.052 57.454 55.300 0.170 0.000 1.311 111 M CB -1.628 31.054 32.600 0.136 0.000 0.421 111 M HN 0.223 nan 8.290 nan 0.000 0.563 112 A N 0.051 122.980 122.820 0.182 0.000 2.239 112 A HA 0.244 4.565 4.320 0.002 0.000 0.209 112 A C 1.901 179.595 177.584 0.184 0.000 1.171 112 A CA 1.240 53.417 52.037 0.234 0.000 0.768 112 A CB -0.544 18.695 19.000 0.399 0.000 0.790 112 A HN 0.508 nan 8.150 nan 0.000 0.478 113 V N -0.026 119.962 119.914 0.125 0.000 2.568 113 V HA -0.245 3.876 4.120 0.002 0.000 0.253 113 V C 2.626 178.734 176.094 0.023 0.000 1.072 113 V CA 2.176 64.513 62.300 0.062 0.000 1.084 113 V CB -0.772 31.093 31.823 0.069 0.000 0.676 113 V HN 0.614 nan 8.190 nan 0.000 0.469 114 S N -0.288 115.447 115.700 0.059 0.000 2.387 114 S HA -0.280 4.191 4.470 0.002 0.000 0.230 114 S C 1.958 176.581 174.600 0.038 0.000 1.035 114 S CA 1.645 59.874 58.200 0.049 0.000 1.014 114 S CB -0.298 62.929 63.200 0.045 0.000 0.836 114 S HN 0.650 nan 8.310 nan 0.000 0.466 115 K N 1.072 121.501 120.400 0.047 0.000 2.097 115 K HA -0.013 4.308 4.320 0.002 0.000 0.206 115 K C 2.360 178.919 176.600 -0.070 0.000 1.049 115 K CA 1.458 57.765 56.287 0.034 0.000 0.933 115 K CB -0.271 32.295 32.500 0.109 0.000 0.717 115 K HN 0.218 nan 8.250 nan 0.000 0.442 116 S N 1.493 117.047 115.700 -0.244 0.000 2.402 116 S HA -0.038 4.433 4.470 0.002 0.000 0.229 116 S C 1.916 176.373 174.600 -0.238 0.000 1.021 116 S CA 0.858 58.685 58.200 -0.621 0.000 0.974 116 S CB -0.176 62.208 63.200 -1.359 0.000 0.800 116 S HN 0.199 nan 8.310 nan 0.000 0.484 117 L N 0.422 121.612 121.223 -0.055 0.000 2.056 117 L HA -0.108 4.233 4.340 0.002 0.000 0.207 117 L C 2.757 179.721 176.870 0.156 0.000 1.078 117 L CA 0.847 55.751 54.840 0.107 0.000 0.749 117 L CB -0.836 41.305 42.059 0.137 0.000 0.901 117 L HN 0.450 nan 8.230 nan 0.000 0.433 118 C N 0.833 120.227 119.300 0.158 0.000 2.432 118 C HA -0.097 4.364 4.460 0.002 0.000 0.277 118 C C 2.930 178.013 174.990 0.154 0.000 1.249 118 C CA 1.030 60.174 59.018 0.210 0.000 1.725 118 C CB -1.245 26.556 27.740 0.103 0.000 2.028 118 C HN 0.648 nan 8.230 nan 0.000 0.477 119 G N -0.478 108.407 108.800 0.141 0.000 2.450 119 G HA2 -0.175 3.786 3.960 0.002 0.000 0.220 119 G HA3 -0.175 3.786 3.960 0.002 0.000 0.220 119 G C 1.745 176.816 174.900 0.285 0.000 1.130 119 G CA 1.630 46.877 45.100 0.245 0.000 0.760 119 G HN 0.570 nan 8.290 nan 0.000 0.557 120 T N 0.803 115.510 114.554 0.256 0.000 2.777 120 T HA -0.101 4.250 4.350 0.002 0.000 0.266 120 T C 2.565 177.226 174.700 -0.065 0.000 1.040 120 T CA 1.188 63.389 62.100 0.168 0.000 1.141 120 T CB -0.243 68.777 68.868 0.253 0.000 0.868 120 T HN 0.081 nan 8.240 nan 0.000 0.444 121 V N 1.379 121.300 119.914 0.011 0.000 2.343 121 V HA -0.153 3.968 4.120 0.002 0.000 0.247 121 V C 2.676 178.638 176.094 -0.221 0.000 1.051 121 V CA 1.278 63.541 62.300 -0.063 0.000 1.036 121 V CB -0.777 31.084 31.823 0.063 0.000 0.654 121 V HN 0.314 nan 8.190 nan 0.000 0.451 122 V N 1.047 120.865 119.914 -0.160 0.000 2.332 122 V HA -0.214 3.907 4.120 0.002 0.000 0.248 122 V C 2.671 178.465 176.094 -0.500 0.000 1.055 122 V CA 2.228 64.390 62.300 -0.231 0.000 1.038 122 V CB -1.494 30.290 31.823 -0.065 0.000 0.651 122 V HN 0.616 nan 8.190 nan 0.000 0.450 123 G N -0.115 108.136 108.800 -0.915 0.000 2.442 123 G HA2 -0.222 3.739 3.960 0.002 0.000 0.219 123 G HA3 -0.222 3.739 3.960 0.002 0.000 0.219 123 G C 1.653 176.019 174.900 -0.891 0.000 1.141 123 G CA 1.289 45.295 45.100 -1.823 0.000 0.763 123 G HN 0.404 nan 8.290 nan 0.000 0.554 124 V N 0.958 120.534 119.914 -0.564 0.000 2.332 124 V HA -0.150 3.971 4.120 0.002 0.000 0.248 124 V C 2.865 178.784 176.094 -0.293 0.000 1.055 124 V CA 1.591 63.698 62.300 -0.321 0.000 1.038 124 V CB -0.439 31.263 31.823 -0.201 0.000 0.651 124 V HN 0.359 nan 8.190 nan 0.000 0.450 125 L N -0.660 120.341 121.223 -0.369 0.000 2.217 125 L HA -0.066 4.275 4.340 0.002 0.000 0.211 125 L C 2.372 179.121 176.870 -0.201 0.000 1.107 125 L CA 0.548 55.212 54.840 -0.292 0.000 0.783 125 L CB -0.507 41.348 42.059 -0.339 0.000 0.919 125 L HN 0.189 nan 8.230 nan 0.000 0.442 126 V N -0.324 119.453 119.914 -0.228 0.000 2.358 126 V HA -0.253 3.868 4.120 0.002 0.000 0.246 126 V C 2.076 178.132 176.094 -0.063 0.000 1.047 126 V CA 1.717 63.948 62.300 -0.115 0.000 1.035 126 V CB -0.445 31.337 31.823 -0.068 0.000 0.658 126 V HN 0.410 nan 8.190 nan 0.000 0.452 127 D N 0.211 120.549 120.400 -0.103 0.000 2.149 127 D HA -0.179 4.463 4.640 0.002 0.000 0.198 127 D C 2.101 178.388 176.300 -0.022 0.000 0.990 127 D CA 1.321 55.297 54.000 -0.041 0.000 0.839 127 D CB -0.161 40.604 40.800 -0.058 0.000 0.948 127 D HN 0.566 nan 8.370 nan 0.000 0.460 128 E N -0.513 119.663 120.200 -0.040 0.000 2.482 128 E HA 0.141 4.493 4.350 0.002 0.000 0.196 128 E C 1.201 177.800 176.600 -0.002 0.000 1.047 128 E CA 0.394 56.787 56.400 -0.012 0.000 0.869 128 E CB 0.247 29.942 29.700 -0.009 0.000 0.836 128 E HN 0.292 nan 8.360 nan 0.000 0.520 129 G N 1.847 110.644 108.800 -0.006 0.000 2.148 129 G HA2 -0.350 3.611 3.960 0.002 0.000 0.254 129 G HA3 -0.350 3.611 3.960 0.002 0.000 0.254 129 G C 0.869 175.782 174.900 0.022 0.000 0.981 129 G CA 0.500 45.609 45.100 0.015 0.000 0.670 129 G HN 0.261 nan 8.290 nan 0.000 0.528 130 R N -0.783 119.712 120.500 -0.009 0.000 2.210 130 R HA 0.368 4.709 4.340 0.002 0.000 0.203 130 R C 0.909 177.191 176.300 -0.029 0.000 1.010 130 R CA 0.662 56.761 56.100 -0.001 0.000 1.008 130 R CB 0.464 30.744 30.300 -0.034 0.000 0.923 130 R HN 0.485 nan 8.270 nan 0.000 0.469 131 I N 1.049 121.561 120.570 -0.097 0.000 2.436 131 I HA 0.137 4.308 4.170 0.002 0.000 0.289 131 I C -1.041 175.075 176.117 -0.001 0.000 1.010 131 I CA -0.951 60.236 61.300 -0.188 0.000 1.098 131 I CB 2.209 40.004 38.000 -0.343 0.000 1.266 131 I HN -0.177 nan 8.210 nan 0.000 0.434 132 D N 8.513 129.003 120.400 0.150 0.000 2.427 132 D HA 0.314 4.955 4.640 0.002 0.000 0.226 132 D C -1.875 174.516 176.300 0.151 0.000 1.076 132 D CA -2.306 51.782 54.000 0.147 0.000 0.849 132 D CB 1.998 42.894 40.800 0.160 0.000 1.052 132 D HN 0.130 nan 8.370 nan 0.000 0.515 133 P HA -0.100 nan 4.420 nan 0.000 0.220 133 P C 0.831 178.195 177.300 0.107 0.000 1.144 133 P CA 0.935 64.105 63.100 0.117 0.000 0.800 133 P CB 0.290 32.071 31.700 0.133 0.000 0.772 134 A N -1.630 121.247 122.820 0.096 0.000 2.119 134 A HA -0.069 4.252 4.320 0.002 0.000 0.216 134 A C 1.355 178.981 177.584 0.069 0.000 1.152 134 A CA 0.739 52.818 52.037 0.071 0.000 0.708 134 A CB -0.572 18.461 19.000 0.054 0.000 0.805 134 A HN 0.121 nan 8.150 nan 0.000 0.460 135 Q N 0.510 120.371 119.800 0.102 0.000 2.354 135 Q HA 0.255 4.597 4.340 0.002 0.000 0.244 135 Q C -2.456 173.591 176.000 0.079 0.000 0.969 135 Q CA -2.059 53.789 55.803 0.074 0.000 0.885 135 Q CB 0.404 29.189 28.738 0.079 0.000 1.241 135 Q HN 0.267 nan 8.270 nan 0.000 0.461 136 P HA 0.002 nan 4.420 nan 0.000 0.271 136 P C 0.805 178.126 177.300 0.035 0.000 1.218 136 P CA -0.044 63.064 63.100 0.012 0.000 0.780 136 P CB 0.744 32.425 31.700 -0.031 0.000 0.901 137 V N 2.328 122.278 119.914 0.060 0.000 2.370 137 V HA -0.282 3.839 4.120 0.002 0.000 0.252 137 V C 2.539 178.620 176.094 -0.022 0.000 1.068 137 V CA 3.059 65.394 62.300 0.059 0.000 1.061 137 V CB -2.057 29.778 31.823 0.020 0.000 0.656 137 V HN 0.736 nan 8.190 nan 0.000 0.455 138 T N -1.744 112.764 114.554 -0.076 0.000 3.051 138 T HA -0.167 4.184 4.350 0.002 0.000 0.269 138 T C 1.601 176.186 174.700 -0.191 0.000 1.127 138 T CA 1.276 63.296 62.100 -0.134 0.000 1.107 138 T CB -0.270 68.534 68.868 -0.106 0.000 0.898 138 T HN 0.512 nan 8.240 nan 0.000 0.517 139 E N 0.761 120.800 120.200 -0.268 0.000 2.204 139 E HA -0.112 4.240 4.350 0.002 0.000 0.195 139 E C 1.008 177.232 176.600 -0.627 0.000 0.990 139 E CA 1.272 57.380 56.400 -0.487 0.000 0.821 139 E CB -0.374 28.911 29.700 -0.691 0.000 0.750 139 E HN 0.795 nan 8.360 nan 0.000 0.477 140 Y N -1.682 118.546 120.300 -0.120 0.000 2.581 140 Y HA 0.320 4.871 4.550 0.002 0.000 0.271 140 Y C 0.374 176.145 175.900 -0.215 0.000 1.100 140 Y CA -0.083 57.938 58.100 -0.133 0.000 1.281 140 Y CB 1.062 39.454 38.460 -0.113 0.000 1.237 140 Y HN -0.192 nan 8.280 nan 0.000 0.514 141 V N 2.485 122.289 119.914 -0.183 0.000 2.315 141 V HA 0.226 4.347 4.120 0.002 0.000 0.265 141 V C -2.079 173.813 176.094 -0.335 0.000 1.019 141 V CA -1.401 60.644 62.300 -0.424 0.000 0.824 141 V CB 1.126 32.416 31.823 -0.889 0.000 1.072 141 V HN -0.006 nan 8.190 nan 0.000 0.448 142 P HA -0.125 nan 4.420 nan 0.000 0.219 142 P C 1.214 178.423 177.300 -0.151 0.000 1.146 142 P CA 1.052 64.054 63.100 -0.164 0.000 0.808 142 P CB 0.425 32.050 31.700 -0.125 0.000 0.779 143 E N -1.086 119.010 120.200 -0.174 0.000 2.478 143 E HA -0.027 4.324 4.350 0.002 0.000 0.198 143 E C 1.427 177.969 176.600 -0.096 0.000 1.046 143 E CA 0.441 56.786 56.400 -0.092 0.000 0.870 143 E CB -0.807 28.896 29.700 0.006 0.000 0.818 143 E HN 0.276 nan 8.360 nan 0.000 0.527 144 L N 0.203 121.305 121.223 -0.202 0.000 2.591 144 L HA 0.210 4.551 4.340 0.002 0.000 0.228 144 L C 0.705 177.543 176.870 -0.054 0.000 1.133 144 L CA -0.561 54.205 54.840 -0.124 0.000 0.880 144 L CB -0.163 41.774 42.059 -0.203 0.000 1.033 144 L HN 0.024 nan 8.230 nan 0.000 0.450 145 A N -0.093 122.687 122.820 -0.067 0.000 2.531 145 A HA 0.349 4.670 4.320 0.002 0.000 0.236 145 A C 1.494 179.059 177.584 -0.032 0.000 1.062 145 A CA 0.772 52.780 52.037 -0.048 0.000 0.760 145 A CB -0.180 18.788 19.000 -0.053 0.000 0.995 145 A HN 0.580 nan 8.150 nan 0.000 0.501 146 G N 0.787 109.568 108.800 -0.032 0.000 2.205 146 G HA2 -0.182 3.779 3.960 0.002 0.000 0.261 146 G HA3 -0.182 3.779 3.960 0.002 0.000 0.261 146 G C 0.641 175.521 174.900 -0.033 0.000 0.980 146 G CA 1.180 46.262 45.100 -0.031 0.000 0.632 146 G HN 2.228 nan 8.290 nan 0.000 0.533 147 S N -1.490 114.194 115.700 -0.026 0.000 2.758 147 S HA 0.674 5.145 4.470 0.002 0.000 0.292 147 S C 1.288 175.837 174.600 -0.084 0.000 1.131 147 S CA 0.342 58.521 58.200 -0.035 0.000 0.997 147 S CB 1.849 65.068 63.200 0.031 0.000 1.111 147 S HN 1.213 nan 8.310 nan 0.000 0.552 148 V N 0.477 120.285 119.914 -0.177 0.000 2.867 148 V HA -0.042 4.079 4.120 0.002 0.000 0.260 148 V C 0.774 176.632 176.094 -0.393 0.000 1.099 148 V CA 1.396 63.509 62.300 -0.311 0.000 1.122 148 V CB -1.184 30.374 31.823 -0.442 0.000 0.708 148 V HN 0.823 nan 8.190 nan 0.000 0.490 149 Y N -0.441 119.809 120.300 -0.085 0.000 2.470 149 Y HA 0.298 4.849 4.550 0.002 0.000 0.284 149 Y C 0.811 176.661 175.900 -0.084 0.000 1.188 149 Y CA -0.375 57.674 58.100 -0.085 0.000 1.269 149 Y CB -0.010 38.394 38.460 -0.095 0.000 1.094 149 Y HN 0.242 nan 8.280 nan 0.000 0.518 150 D N 0.029 120.432 120.400 0.004 0.000 2.411 150 D HA 0.401 5.043 4.640 0.002 0.000 0.225 150 D C 0.979 177.259 176.300 -0.033 0.000 1.156 150 D CA 0.898 54.886 54.000 -0.020 0.000 0.874 150 D CB 0.562 41.342 40.800 -0.035 0.000 1.034 150 D HN 0.452 nan 8.370 nan 0.000 0.502 151 G N 4.721 113.508 108.800 -0.023 0.000 3.131 151 G HA2 -0.183 3.778 3.960 0.002 0.000 0.198 151 G HA3 -0.183 3.778 3.960 0.002 0.000 0.198 151 G C -1.955 172.939 174.900 -0.011 0.000 1.435 151 G CA -0.493 44.592 45.100 -0.025 0.000 1.016 151 G HN 0.545 nan 8.290 nan 0.000 0.499 152 P HA 0.433 nan 4.420 nan 0.000 0.268 152 P C 0.391 177.717 177.300 0.042 0.000 1.208 152 P CA 0.668 63.777 63.100 0.015 0.000 0.777 152 P CB 1.071 32.779 31.700 0.014 0.000 0.875 153 S N 0.246 115.974 115.700 0.045 0.000 2.652 153 S HA 0.152 4.623 4.470 0.002 0.000 0.270 153 S C 1.246 175.896 174.600 0.083 0.000 1.243 153 S CA -0.696 57.542 58.200 0.063 0.000 0.999 153 S CB 0.463 63.697 63.200 0.056 0.000 0.973 153 S HN 0.152 nan 8.310 nan 0.000 0.544 154 V N 1.305 121.280 119.914 0.102 0.000 2.392 154 V HA -0.136 3.985 4.120 0.002 0.000 0.249 154 V C 2.333 178.481 176.094 0.090 0.000 1.059 154 V CA 1.835 64.190 62.300 0.092 0.000 1.051 154 V CB -1.117 30.759 31.823 0.088 0.000 0.658 154 V HN 0.828 nan 8.190 nan 0.000 0.455 155 L N 0.005 121.283 121.223 0.093 0.000 2.083 155 L HA -0.194 4.147 4.340 0.002 0.000 0.209 155 L C 2.419 179.337 176.870 0.081 0.000 1.083 155 L CA 1.888 56.783 54.840 0.091 0.000 0.752 155 L CB -0.673 41.431 42.059 0.076 0.000 0.899 155 L HN 0.343 nan 8.230 nan 0.000 0.433 156 Q N -1.444 118.398 119.800 0.069 0.000 2.167 156 Q HA -0.141 4.200 4.340 0.002 0.000 0.202 156 Q C 2.129 178.165 176.000 0.060 0.000 0.970 156 Q CA 1.542 57.379 55.803 0.057 0.000 0.855 156 Q CB -0.084 28.677 28.738 0.038 0.000 0.911 156 Q HN 0.472 nan 8.270 nan 0.000 0.438 157 V N 0.839 120.801 119.914 0.080 0.000 2.307 157 V HA -0.248 3.873 4.120 0.002 0.000 0.245 157 V C 2.150 178.290 176.094 0.076 0.000 1.045 157 V CA 1.418 63.768 62.300 0.082 0.000 1.024 157 V CB -0.486 31.383 31.823 0.076 0.000 0.651 157 V HN 0.342 nan 8.190 nan 0.000 0.449 158 L N 0.013 121.299 121.223 0.105 0.000 2.079 158 L HA -0.216 4.125 4.340 0.002 0.000 0.210 158 L C 1.871 178.862 176.870 0.202 0.000 1.081 158 L CA 1.581 56.511 54.840 0.149 0.000 0.752 158 L CB -0.471 41.689 42.059 0.168 0.000 0.896 158 L HN 0.363 nan 8.230 nan 0.000 0.433 159 D N -1.119 119.384 120.400 0.172 0.000 2.339 159 D HA 0.068 4.709 4.640 0.002 0.000 0.217 159 D C 0.780 177.199 176.300 0.199 0.000 1.050 159 D CA 0.173 54.323 54.000 0.250 0.000 0.856 159 D CB 0.380 41.275 40.800 0.159 0.000 0.922 159 D HN 0.080 nan 8.370 nan 0.000 0.518 160 M N 0.161 119.779 119.600 0.030 0.000 2.297 160 M HA -0.255 4.226 4.480 0.002 0.000 0.200 160 M C -0.491 175.707 176.300 -0.171 0.000 0.414 160 M CA 0.722 55.899 55.300 -0.206 0.000 0.449 160 M CB -2.221 30.038 32.600 -0.568 0.000 1.436 160 M HN 0.169 nan 8.290 nan 0.000 0.912 161 Q N 0.286 120.054 119.800 -0.053 0.000 2.404 161 Q HA 0.567 4.908 4.340 0.002 0.000 0.368 161 Q C -0.282 175.680 176.000 -0.062 0.000 0.939 161 Q CA -0.012 55.774 55.803 -0.029 0.000 1.099 161 Q CB 0.773 29.535 28.738 0.040 0.000 1.284 161 Q HN 0.597 nan 8.270 nan 0.000 0.421 162 I N -0.070 120.425 120.570 -0.124 0.000 2.498 162 I HA 0.232 4.403 4.170 0.002 0.000 0.290 162 I C -0.109 175.901 176.117 -0.178 0.000 1.032 162 I CA -0.840 60.374 61.300 -0.143 0.000 1.073 162 I CB 2.202 40.099 38.000 -0.173 0.000 1.251 162 I HN -0.026 nan 8.210 nan 0.000 0.426 163 S N 6.971 122.583 115.700 -0.147 0.000 2.481 163 S HA 0.604 5.075 4.470 0.002 0.000 0.276 163 S C -0.539 173.962 174.600 -0.164 0.000 1.247 163 S CA -0.126 57.993 58.200 -0.136 0.000 1.053 163 S CB -0.082 63.062 63.200 -0.093 0.000 0.925 163 S HN 0.404 nan 8.310 nan 0.000 0.491 164 I N 3.405 123.883 120.570 -0.154 0.000 2.582 164 I HA 0.255 4.426 4.170 0.002 0.000 0.292 164 I C -0.697 175.385 176.117 -0.058 0.000 1.066 164 I CA -0.878 60.332 61.300 -0.150 0.000 1.053 164 I CB 2.087 39.965 38.000 -0.202 0.000 1.241 164 I HN 0.455 nan 8.210 nan 0.000 0.421 165 D N 5.738 126.111 120.400 -0.046 0.000 2.498 165 D HA 0.052 4.693 4.640 0.002 0.000 0.229 165 D C -1.378 174.958 176.300 0.060 0.000 1.188 165 D CA 0.666 54.661 54.000 -0.009 0.000 1.028 165 D CB -0.264 40.515 40.800 -0.035 0.000 1.087 165 D HN 0.405 nan 8.370 nan 0.000 0.510 166 Y N 2.681 122.938 120.300 -0.071 0.000 2.298 166 Y HA 0.204 4.755 4.550 0.002 0.000 0.322 166 Y C -1.086 174.790 175.900 -0.040 0.000 1.138 166 Y CA -1.255 56.821 58.100 -0.040 0.000 1.127 166 Y CB 0.807 39.237 38.460 -0.049 0.000 1.178 166 Y HN 0.023 nan 8.280 nan 0.000 0.428 167 N N 4.444 123.162 118.700 0.029 0.000 2.439 167 N HA 0.043 4.784 4.740 0.002 0.000 0.243 167 N C -0.407 175.128 175.510 0.043 0.000 1.088 167 N CA -0.025 53.043 53.050 0.030 0.000 0.940 167 N CB 0.885 39.349 38.487 -0.038 0.000 1.180 167 N HN 0.770 nan 8.380 nan 0.000 0.505 168 E N 2.397 122.683 120.200 0.145 0.000 2.346 168 E HA 0.013 4.364 4.350 0.002 0.000 0.317 168 E C -1.022 175.375 176.600 -0.339 0.000 1.404 168 E CA -0.260 56.154 56.400 0.023 0.000 1.534 168 E CB -0.354 29.398 29.700 0.087 0.000 1.309 168 E HN 0.362 nan 8.360 nan 0.000 0.499 169 D N 1.076 121.335 120.400 -0.235 0.000 2.373 169 D HA 0.008 4.649 4.640 0.002 0.000 0.227 169 D C -0.138 176.074 176.300 -0.148 0.000 1.091 169 D CA -0.489 53.387 54.000 -0.207 0.000 0.840 169 D CB 0.526 41.292 40.800 -0.058 0.000 1.060 169 D HN 0.315 nan 8.370 nan 0.000 0.502 170 Y N 2.092 122.475 120.300 0.138 0.000 2.561 170 Y HA -0.049 4.502 4.550 0.002 0.000 0.291 170 Y C 2.070 178.053 175.900 0.138 0.000 1.141 170 Y CA 0.291 58.481 58.100 0.150 0.000 1.303 170 Y CB -0.112 38.451 38.460 0.172 0.000 1.015 170 Y HN 0.389 nan 8.280 nan 0.000 0.547 171 V N -3.813 116.235 119.914 0.223 0.000 3.212 171 V HA 0.113 4.234 4.120 0.002 0.000 0.244 171 V C 0.541 176.704 176.094 0.115 0.000 1.151 171 V CA 0.193 62.597 62.300 0.173 0.000 1.119 171 V CB -0.058 31.859 31.823 0.156 0.000 0.838 171 V HN 0.012 nan 8.190 nan 0.000 0.470 172 D N 3.421 123.870 120.400 0.082 0.000 2.382 172 D HA 0.149 4.790 4.640 0.002 0.000 0.259 172 D C -1.209 175.120 176.300 0.047 0.000 1.224 172 D CA -1.907 52.124 54.000 0.051 0.000 0.894 172 D CB 1.792 42.608 40.800 0.026 0.000 1.127 172 D HN 0.244 nan 8.370 nan 0.000 0.487 173 P HA -0.088 nan 4.420 nan 0.000 0.225 173 P C 0.604 177.917 177.300 0.023 0.000 1.148 173 P CA 0.642 63.768 63.100 0.043 0.000 0.779 173 P CB 0.261 31.987 31.700 0.043 0.000 0.780 174 A N -0.096 122.732 122.820 0.012 0.000 2.238 174 A HA 0.162 4.484 4.320 0.002 0.000 0.210 174 A C 1.283 178.852 177.584 -0.025 0.000 1.179 174 A CA 0.142 52.178 52.037 -0.001 0.000 0.827 174 A CB -0.751 18.250 19.000 0.002 0.000 0.856 174 A HN 0.343 nan 8.150 nan 0.000 0.488 175 S N -0.324 115.355 115.700 -0.035 0.000 2.593 175 S HA 0.209 4.680 4.470 0.002 0.000 0.269 175 S C 0.561 175.071 174.600 -0.150 0.000 1.334 175 S CA 0.092 58.241 58.200 -0.085 0.000 1.015 175 S CB 0.813 63.967 63.200 -0.077 0.000 0.912 175 S HN 0.276 nan 8.310 nan 0.000 0.541 176 E N 0.532 120.558 120.200 -0.290 0.000 2.204 176 E HA -0.059 4.292 4.350 0.002 0.000 0.195 176 E C 1.771 178.064 176.600 -0.512 0.000 0.990 176 E CA 0.826 56.960 56.400 -0.444 0.000 0.821 176 E CB -0.405 28.800 29.700 -0.825 0.000 0.750 176 E HN 0.532 nan 8.360 nan 0.000 0.477 177 V N 0.484 120.142 119.914 -0.427 0.000 2.809 177 V HA -0.212 3.909 4.120 0.002 0.000 0.256 177 V C 1.573 177.638 176.094 -0.048 0.000 1.080 177 V CA 1.365 63.616 62.300 -0.082 0.000 1.102 177 V CB -0.068 31.835 31.823 0.133 0.000 0.705 177 V HN 0.247 nan 8.190 nan 0.000 0.475 178 Q N -0.398 119.366 119.800 -0.060 0.000 2.083 178 Q HA -0.118 4.224 4.340 0.002 0.000 0.198 178 Q C 2.245 178.196 176.000 -0.083 0.000 0.969 178 Q CA 2.192 57.981 55.803 -0.022 0.000 0.838 178 Q CB -1.078 27.662 28.738 0.003 0.000 0.900 178 Q HN 0.621 nan 8.270 nan 0.000 0.436 179 T N 0.484 114.956 114.554 -0.137 0.000 2.788 179 T HA -0.163 4.188 4.350 0.002 0.000 0.268 179 T C 1.716 176.133 174.700 -0.471 0.000 1.044 179 T CA 1.488 63.475 62.100 -0.188 0.000 1.139 179 T CB -0.362 68.464 68.868 -0.070 0.000 0.867 179 T HN 0.491 nan 8.240 nan 0.000 0.454 180 H N 0.231 118.787 119.070 -0.856 0.000 2.319 180 H HA -0.078 4.479 4.556 0.002 0.000 0.299 180 H C 2.517 177.515 175.328 -0.551 0.000 1.092 180 H CA 1.044 56.410 56.048 -1.137 0.000 1.302 180 H CB -0.313 29.064 29.762 -0.641 0.000 1.373 180 H HN 0.399 nan 8.280 nan 0.000 0.497 181 G N 0.158 108.819 108.800 -0.232 0.000 2.422 181 G HA2 -0.228 3.733 3.960 0.002 0.000 0.218 181 G HA3 -0.228 3.733 3.960 0.002 0.000 0.218 181 G C 1.724 176.593 174.900 -0.051 0.000 1.146 181 G CA 0.404 45.395 45.100 -0.183 0.000 0.769 181 G HN 0.360 nan 8.290 nan 0.000 0.547 182 R N 0.487 120.953 120.500 -0.056 0.000 2.075 182 R HA -0.014 4.327 4.340 0.002 0.000 0.232 182 R C 2.883 179.163 176.300 -0.032 0.000 1.126 182 R CA 1.355 57.448 56.100 -0.013 0.000 0.963 182 R CB -0.386 29.903 30.300 -0.018 0.000 0.858 182 R HN 0.286 nan 8.270 nan 0.000 0.435 183 S N 0.715 116.349 115.700 -0.110 0.000 2.442 183 S HA -0.077 4.394 4.470 0.002 0.000 0.236 183 S C 1.805 176.379 174.600 -0.043 0.000 1.007 183 S CA 1.150 59.298 58.200 -0.086 0.000 0.965 183 S CB 0.099 63.202 63.200 -0.162 0.000 0.773 183 S HN 0.446 nan 8.310 nan 0.000 0.504 184 A N 0.125 122.919 122.820 -0.044 0.000 2.238 184 A HA 0.538 4.859 4.320 0.002 0.000 0.210 184 A C 1.630 179.280 177.584 0.111 0.000 1.179 184 A CA 0.700 52.730 52.037 -0.011 0.000 0.827 184 A CB -0.455 18.430 19.000 -0.192 0.000 0.856 184 A HN 0.827 nan 8.150 nan 0.000 0.488 185 G N -2.760 106.114 108.800 0.123 0.000 2.141 185 G HA2 -0.264 3.697 3.960 0.002 0.000 0.242 185 G HA3 -0.264 3.697 3.960 0.002 0.000 0.242 185 G C 0.431 175.488 174.900 0.261 0.000 0.982 185 G CA 0.418 45.615 45.100 0.161 0.000 0.662 185 G HN 0.420 nan 8.290 nan 0.000 0.527 186 W N 1.318 122.602 121.300 -0.027 0.000 2.678 186 W HA 0.524 5.185 4.660 0.002 0.000 0.256 186 W C 1.216 177.726 176.519 -0.015 0.000 1.280 186 W CA 0.957 58.285 57.345 -0.027 0.000 1.345 186 W CB 0.141 29.586 29.460 -0.025 0.000 1.118 186 W HN 0.306 nan 8.180 nan 0.000 0.629 187 S N -1.837 113.985 115.700 0.204 0.000 2.638 187 S HA 0.354 4.825 4.470 0.002 0.000 0.274 187 S C -0.476 174.172 174.600 0.081 0.000 1.157 187 S CA -0.849 57.423 58.200 0.120 0.000 0.826 187 S CB 1.625 64.897 63.200 0.119 0.000 1.139 187 S HN -0.334 nan 8.310 nan 0.000 0.474 188 T N 2.845 117.436 114.554 0.061 0.000 2.888 188 T HA 0.183 4.534 4.350 0.002 0.000 0.301 188 T C 0.437 175.166 174.700 0.048 0.000 1.001 188 T CA 0.099 62.230 62.100 0.051 0.000 1.147 188 T CB -0.015 68.879 68.868 0.044 0.000 0.931 188 T HN 0.330 nan 8.240 nan 0.000 0.541 189 R N 2.592 123.120 120.500 0.047 0.000 2.623 189 R HA 0.242 4.583 4.340 0.002 0.000 0.271 189 R C 0.563 176.893 176.300 0.050 0.000 1.043 189 R CA -0.006 56.119 56.100 0.042 0.000 1.083 189 R CB 0.572 30.897 30.300 0.041 0.000 0.974 189 R HN 0.521 nan 8.270 nan 0.000 0.436 190 R N 0.742 121.270 120.500 0.047 0.000 2.643 190 R HA 0.146 4.487 4.340 0.002 0.000 0.272 190 R C -0.285 176.067 176.300 0.085 0.000 0.995 190 R CA -1.027 55.114 56.100 0.068 0.000 1.032 190 R CB 0.772 31.106 30.300 0.057 0.000 1.126 190 R HN 0.534 nan 8.270 nan 0.000 0.505 191 H N -0.132 118.951 119.070 0.022 0.000 3.034 191 H HA 0.108 4.664 4.556 0.001 0.000 0.324 191 H C 1.153 176.495 175.328 0.023 0.000 1.015 191 H CA 2.033 58.095 56.048 0.022 0.000 1.429 191 H CB 0.408 30.182 29.762 0.020 0.000 1.429 191 H HN 0.808 nan 8.280 nan 0.000 0.585 192 G N 3.745 112.260 108.800 -0.474 0.000 2.195 192 G HA2 -0.263 3.698 3.960 0.002 0.000 0.246 192 G HA3 -0.263 3.698 3.960 0.002 0.000 0.246 192 G C 0.064 174.893 174.900 -0.117 0.000 0.984 192 G CA 0.099 45.013 45.100 -0.310 0.000 0.633 192 G HN 0.698 nan 8.290 nan 0.000 0.525 193 D N 2.036 122.396 120.400 -0.067 0.000 2.382 193 D HA 0.456 5.097 4.640 0.002 0.000 0.240 193 D C -1.673 174.628 176.300 0.000 0.000 1.146 193 D CA -0.737 53.256 54.000 -0.011 0.000 0.897 193 D CB 0.607 41.407 40.800 -0.001 0.000 1.197 193 D HN 0.148 nan 8.370 nan 0.000 0.432 194 P HA 0.083 nan 4.420 nan 0.000 0.269 194 P C -0.059 177.257 177.300 0.027 0.000 1.215 194 P CA -0.177 62.957 63.100 0.057 0.000 0.780 194 P CB 0.636 32.423 31.700 0.145 0.000 0.898 195 A N 1.913 124.744 122.820 0.019 0.000 1.930 195 A HA -0.025 4.296 4.320 0.002 0.000 0.217 195 A C 0.504 178.084 177.584 -0.007 0.000 1.175 195 A CA 1.818 53.860 52.037 0.009 0.000 0.627 195 A CB -0.828 18.180 19.000 0.013 0.000 0.815 195 A HN 0.742 nan 8.150 nan 0.000 0.443 196 D N -5.729 114.657 120.400 -0.024 0.000 2.759 196 D HA 0.340 4.981 4.640 0.002 0.000 0.321 196 D C 0.383 176.606 176.300 -0.128 0.000 1.267 196 D CA 0.113 54.057 54.000 -0.094 0.000 0.933 196 D CB -0.057 40.654 40.800 -0.148 0.000 1.431 196 D HN -0.199 nan 8.370 nan 0.000 0.504 197 T N -0.969 113.419 114.554 -0.278 0.000 2.746 197 T HA -0.122 4.229 4.350 0.002 0.000 0.267 197 T C 1.314 175.803 174.700 -0.351 0.000 1.039 197 T CA 1.446 63.397 62.100 -0.248 0.000 1.142 197 T CB -0.601 68.101 68.868 -0.276 0.000 0.866 197 T HN 0.369 nan 8.240 nan 0.000 0.444 198 Y N 1.611 121.544 120.300 -0.612 0.000 2.128 198 Y HA -0.126 4.425 4.550 0.001 0.000 0.284 198 Y C 2.610 178.325 175.900 -0.307 0.000 1.154 198 Y CA 0.928 58.512 58.100 -0.860 0.000 1.149 198 Y CB -0.694 37.044 38.460 -1.203 0.000 0.976 198 Y HN 0.309 nan 8.280 nan 0.000 0.505 199 E N -0.316 119.883 120.200 -0.002 0.000 2.077 199 E HA -0.248 4.103 4.350 0.002 0.000 0.193 199 E C 2.104 178.751 176.600 0.077 0.000 0.989 199 E CA 1.195 57.633 56.400 0.063 0.000 0.800 199 E CB -0.419 29.313 29.700 0.053 0.000 0.746 199 E HN 0.413 nan 8.360 nan 0.000 0.452 200 F N 1.443 121.357 119.950 -0.060 0.000 2.126 200 F HA -0.192 4.336 4.527 0.001 0.000 0.299 200 F C 1.837 177.621 175.800 -0.026 0.000 1.096 200 F CA 1.436 59.399 58.000 -0.062 0.000 1.255 200 F CB -0.263 38.670 39.000 -0.112 0.000 0.997 200 F HN 0.005 nan 8.300 nan 0.000 0.479 201 L N 0.074 121.214 121.223 -0.139 0.000 2.083 201 L HA -0.206 4.135 4.340 0.002 0.000 0.209 201 L C 2.543 179.395 176.870 -0.030 0.000 1.083 201 L CA 1.779 56.538 54.840 -0.135 0.000 0.752 201 L CB -1.336 40.806 42.059 0.138 0.000 0.899 201 L HN 0.360 nan 8.230 nan 0.000 0.433 202 T N -4.519 110.072 114.554 0.062 0.000 3.072 202 T HA -0.119 4.232 4.350 0.002 0.000 0.266 202 T C 1.691 176.375 174.700 -0.027 0.000 1.127 202 T CA 1.196 63.340 62.100 0.074 0.000 1.107 202 T CB -0.596 68.348 68.868 0.127 0.000 0.910 202 T HN 0.466 nan 8.240 nan 0.000 0.513 203 T N -0.197 114.280 114.554 -0.127 0.000 3.100 203 T HA 0.328 4.680 4.350 0.002 0.000 0.253 203 T C 0.666 175.258 174.700 -0.179 0.000 1.118 203 T CA -0.362 61.652 62.100 -0.142 0.000 1.058 203 T CB -0.594 68.184 68.868 -0.150 0.000 0.953 203 T HN 0.393 nan 8.240 nan 0.000 0.515 204 L N 2.105 123.196 121.223 -0.219 0.000 2.397 204 L HA 0.499 4.840 4.340 0.002 0.000 0.271 204 L C 0.613 177.393 176.870 -0.150 0.000 1.148 204 L CA -0.671 54.050 54.840 -0.198 0.000 0.825 204 L CB 0.517 42.463 42.059 -0.187 0.000 1.117 204 L HN 0.101 nan 8.230 nan 0.000 0.456 205 R N 1.595 122.012 120.500 -0.138 0.000 2.867 205 R HA 0.840 5.181 4.340 0.002 0.000 0.268 205 R C -0.373 175.845 176.300 -0.137 0.000 1.014 205 R CA -0.855 55.169 56.100 -0.128 0.000 0.946 205 R CB 2.029 32.275 30.300 -0.089 0.000 1.208 205 R HN 0.783 nan 8.270 nan 0.000 0.477 206 G N -0.435 108.286 108.800 -0.132 0.000 2.608 206 G HA2 0.226 4.187 3.960 0.002 0.000 0.291 206 G HA3 0.226 4.187 3.960 0.002 0.000 0.291 206 G C -0.565 174.278 174.900 -0.095 0.000 1.425 206 G CA -0.519 44.508 45.100 -0.122 0.000 0.787 206 G HN 0.497 nan 8.290 nan 0.000 0.484 207 D N -1.668 118.684 120.400 -0.080 0.000 2.355 207 D HA 0.281 4.922 4.640 0.002 0.000 0.218 207 D C 1.664 177.927 176.300 -0.062 0.000 1.004 207 D CA 1.185 55.148 54.000 -0.061 0.000 0.880 207 D CB 0.161 40.933 40.800 -0.048 0.000 0.911 207 D HN 1.724 nan 8.370 nan 0.000 0.528 208 G N -0.107 108.646 108.800 -0.078 0.000 2.213 208 G HA2 -0.258 3.703 3.960 0.002 0.000 0.226 208 G HA3 -0.258 3.703 3.960 0.002 0.000 0.226 208 G C 0.399 175.261 174.900 -0.064 0.000 0.992 208 G CA 0.253 45.309 45.100 -0.073 0.000 0.632 208 G HN 0.837 nan 8.290 nan 0.000 0.511 209 S N 0.502 116.166 115.700 -0.059 0.000 2.592 209 S HA 0.723 5.194 4.470 0.002 0.000 0.271 209 S C 0.253 174.820 174.600 -0.054 0.000 1.326 209 S CA 0.955 59.128 58.200 -0.046 0.000 1.024 209 S CB 1.880 65.058 63.200 -0.036 0.000 0.921 209 S HN 1.712 nan 8.310 nan 0.000 0.527 210 T N -2.676 111.856 114.554 -0.037 0.000 2.838 210 T HA 0.804 5.155 4.350 0.002 0.000 0.292 210 T C 0.799 175.492 174.700 -0.011 0.000 1.113 210 T CA -0.259 61.821 62.100 -0.033 0.000 1.008 210 T CB 1.063 69.915 68.868 -0.028 0.000 1.259 210 T HN 1.912 nan 8.240 nan 0.000 0.520 211 G N 0.136 108.937 108.800 0.001 0.000 2.284 211 G HA2 -0.183 3.778 3.960 0.002 0.000 0.216 211 G HA3 -0.183 3.778 3.960 0.002 0.000 0.216 211 G C -0.080 174.848 174.900 0.046 0.000 1.009 211 G CA 0.200 45.315 45.100 0.025 0.000 0.625 211 G HN 1.072 nan 8.290 nan 0.000 0.501 212 E N 0.161 120.382 120.200 0.035 0.000 2.216 212 E HA 0.570 4.921 4.350 0.002 0.000 0.279 212 E C -0.398 176.247 176.600 0.074 0.000 0.997 212 E CA -1.177 55.264 56.400 0.068 0.000 0.817 212 E CB 0.597 30.325 29.700 0.046 0.000 1.096 212 E HN 0.194 nan 8.360 nan 0.000 0.393 213 F N 3.899 123.833 119.950 -0.027 0.000 2.578 213 F HA 0.032 4.560 4.527 0.002 0.000 0.381 213 F C -0.254 175.501 175.800 -0.075 0.000 1.069 213 F CA 0.612 58.564 58.000 -0.080 0.000 1.231 213 F CB 0.458 39.412 39.000 -0.076 0.000 1.086 213 F HN 0.426 nan 8.300 nan 0.000 0.564 214 Q N 6.842 126.178 119.800 -0.775 0.000 2.294 214 Q HA 0.152 4.493 4.340 0.002 0.000 0.264 214 Q C -1.787 173.628 176.000 -0.975 0.000 0.992 214 Q CA -0.933 54.437 55.803 -0.720 0.000 0.747 214 Q CB 1.016 29.545 28.738 -0.349 0.000 1.262 214 Q HN 0.765 nan 8.270 nan 0.000 0.452 215 Y N 3.137 122.725 120.300 -1.186 0.000 2.569 215 Y HA 0.226 4.778 4.550 0.002 0.000 0.332 215 Y C -0.840 174.794 175.900 -0.443 0.000 1.120 215 Y CA 0.435 58.057 58.100 -0.797 0.000 1.416 215 Y CB 0.618 38.890 38.460 -0.313 0.000 1.210 215 Y HN 0.683 nan 8.280 nan 0.000 0.528 216 C N 5.835 124.637 119.300 -0.830 0.000 2.599 216 C HA 0.309 4.770 4.460 0.002 0.000 0.354 216 C C 1.033 175.589 174.990 -0.723 0.000 1.092 216 C CA -0.438 58.139 59.018 -0.735 0.000 1.280 216 C CB 0.348 27.694 27.740 -0.657 0.000 1.829 216 C HN 1.000 nan 8.230 nan 0.000 0.454 217 S N 2.738 118.079 115.700 -0.598 0.000 2.442 217 S HA -0.095 4.376 4.470 0.002 0.000 0.236 217 S C 1.979 176.462 174.600 -0.195 0.000 1.007 217 S CA 1.392 59.364 58.200 -0.380 0.000 0.965 217 S CB 0.015 62.969 63.200 -0.410 0.000 0.773 217 S HN 1.024 nan 8.310 nan 0.000 0.504 218 A N 2.639 125.319 122.820 -0.234 0.000 1.972 218 A HA -0.161 4.161 4.320 0.002 0.000 0.219 218 A C 1.929 179.492 177.584 -0.036 0.000 1.169 218 A CA 1.422 53.441 52.037 -0.031 0.000 0.635 218 A CB -0.568 18.399 19.000 -0.056 0.000 0.810 218 A HN 0.434 nan 8.150 nan 0.000 0.446 219 N N 0.015 118.661 118.700 -0.090 0.000 2.104 219 N HA -0.118 4.623 4.740 0.002 0.000 0.190 219 N C 1.691 177.160 175.510 -0.067 0.000 1.024 219 N CA 2.042 55.055 53.050 -0.060 0.000 0.853 219 N CB -0.851 37.582 38.487 -0.091 0.000 1.008 219 N HN 0.523 nan 8.380 nan 0.000 0.424 220 T N 0.978 115.506 114.554 -0.043 0.000 2.821 220 T HA -0.064 4.288 4.350 0.002 0.000 0.267 220 T C 1.051 175.765 174.700 0.023 0.000 1.046 220 T CA 1.046 63.146 62.100 -0.001 0.000 1.139 220 T CB -0.181 68.706 68.868 0.031 0.000 0.871 220 T HN 0.167 nan 8.240 nan 0.000 0.454 221 D N 0.789 121.254 120.400 0.109 0.000 2.224 221 D HA -0.001 4.640 4.640 0.002 0.000 0.205 221 D C 2.187 178.612 176.300 0.209 0.000 0.965 221 D CA 0.338 54.477 54.000 0.231 0.000 0.852 221 D CB -0.390 40.647 40.800 0.395 0.000 0.947 221 D HN 0.191 nan 8.370 nan 0.000 0.494 222 V N 0.953 120.886 119.914 0.032 0.000 2.343 222 V HA -0.209 3.912 4.120 0.002 0.000 0.247 222 V C 2.564 178.672 176.094 0.023 0.000 1.051 222 V CA 1.091 63.363 62.300 -0.047 0.000 1.036 222 V CB -0.419 31.093 31.823 -0.517 0.000 0.654 222 V HN 0.227 nan 8.190 nan 0.000 0.451 223 L N 0.103 121.323 121.223 -0.005 0.000 2.046 223 L HA -0.180 4.161 4.340 0.002 0.000 0.208 223 L C 2.721 179.621 176.870 0.050 0.000 1.077 223 L CA 1.673 56.517 54.840 0.006 0.000 0.747 223 L CB -0.807 41.255 42.059 0.006 0.000 0.896 223 L HN 0.372 nan 8.230 nan 0.000 0.432 224 A N -0.857 121.981 122.820 0.031 0.000 1.930 224 A HA -0.246 4.075 4.320 0.002 0.000 0.217 224 A C 2.062 179.869 177.584 0.372 0.000 1.175 224 A CA 1.163 53.194 52.037 -0.010 0.000 0.627 224 A CB -0.856 17.836 19.000 -0.512 0.000 0.815 224 A HN 0.622 nan 8.150 nan 0.000 0.443 225 W N 0.911 122.336 121.300 0.208 0.000 2.358 225 W HA -0.134 4.527 4.660 0.001 0.000 0.303 225 W C 1.844 178.434 176.519 0.118 0.000 1.208 225 W CA 1.311 58.778 57.345 0.204 0.000 1.274 225 W CB -0.786 28.729 29.460 0.092 0.000 1.138 225 W HN 0.341 nan 8.180 nan 0.000 0.515 226 I N -0.130 120.566 120.570 0.211 0.000 2.163 226 I HA -0.358 3.813 4.170 0.002 0.000 0.243 226 I C 2.304 178.450 176.117 0.049 0.000 1.085 226 I CA 1.557 62.875 61.300 0.030 0.000 1.347 226 I CB -1.102 36.837 38.000 -0.102 0.000 1.044 226 I HN -0.296 nan 8.210 nan 0.000 0.408 227 V N 0.757 120.726 119.914 0.092 0.000 2.324 227 V HA -0.313 3.808 4.120 0.002 0.000 0.250 227 V C 2.381 178.576 176.094 0.169 0.000 1.060 227 V CA 2.048 64.403 62.300 0.091 0.000 1.042 227 V CB -0.689 31.240 31.823 0.177 0.000 0.650 227 V HN 0.464 nan 8.190 nan 0.000 0.450 228 E N -0.541 119.834 120.200 0.291 0.000 2.077 228 E HA -0.184 4.167 4.350 0.002 0.000 0.193 228 E C 2.506 179.246 176.600 0.232 0.000 0.989 228 E CA 0.799 57.382 56.400 0.305 0.000 0.800 228 E CB -0.143 29.813 29.700 0.427 0.000 0.746 228 E HN 0.390 nan 8.360 nan 0.000 0.452 229 R N 0.429 121.067 120.500 0.230 0.000 2.115 229 R HA -0.036 4.305 4.340 0.002 0.000 0.226 229 R C 2.283 178.652 176.300 0.114 0.000 1.100 229 R CA 0.564 56.758 56.100 0.156 0.000 0.980 229 R CB -0.485 29.888 30.300 0.121 0.000 0.875 229 R HN 0.123 nan 8.270 nan 0.000 0.445 230 V N 0.630 120.599 119.914 0.091 0.000 2.488 230 V HA -0.144 3.977 4.120 0.002 0.000 0.246 230 V C 2.281 178.414 176.094 0.066 0.000 1.046 230 V CA 2.189 64.526 62.300 0.061 0.000 1.053 230 V CB -0.423 31.376 31.823 -0.040 0.000 0.679 230 V HN 0.476 nan 8.190 nan 0.000 0.458 231 T N -3.791 110.815 114.554 0.087 0.000 3.015 231 T HA 0.304 4.655 4.350 0.002 0.000 0.250 231 T C 1.662 176.435 174.700 0.121 0.000 1.057 231 T CA 1.010 63.183 62.100 0.121 0.000 1.066 231 T CB 0.770 69.747 68.868 0.181 0.000 0.959 231 T HN 0.868 nan 8.240 nan 0.000 0.488 232 G N 1.505 110.375 108.800 0.118 0.000 2.184 232 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 232 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 232 G C -0.064 174.901 174.900 0.109 0.000 0.975 232 G CA 0.371 45.532 45.100 0.101 0.000 0.642 232 G HN 0.649 nan 8.290 nan 0.000 0.536 233 L N 0.455 121.762 121.223 0.140 0.000 2.325 233 L HA 0.524 4.865 4.340 0.002 0.000 0.279 233 L C 1.327 178.294 176.870 0.162 0.000 1.054 233 L CA -1.174 53.746 54.840 0.133 0.000 0.804 233 L CB 0.921 43.068 42.059 0.148 0.000 1.200 233 L HN 0.089 nan 8.230 nan 0.000 0.436 234 R N 0.655 121.233 120.500 0.129 0.000 2.638 234 R HA -0.121 4.220 4.340 0.002 0.000 0.268 234 R C 0.635 177.035 176.300 0.167 0.000 1.006 234 R CA 0.096 56.292 56.100 0.159 0.000 1.088 234 R CB 0.257 30.612 30.300 0.091 0.000 0.950 234 R HN 0.507 nan 8.270 nan 0.000 0.419 235 Y N 3.350 123.711 120.300 0.100 0.000 2.193 235 Y HA -0.266 4.285 4.550 0.002 0.000 0.285 235 Y C 1.799 177.695 175.900 -0.008 0.000 1.166 235 Y CA 1.836 59.956 58.100 0.032 0.000 1.181 235 Y CB -0.112 38.285 38.460 -0.105 0.000 0.976 235 Y HN 0.403 nan 8.280 nan 0.000 0.520 236 V N 0.540 120.375 119.914 -0.132 0.000 2.324 236 V HA -0.353 3.768 4.120 0.002 0.000 0.250 236 V C 2.398 178.395 176.094 -0.163 0.000 1.060 236 V CA 2.432 64.621 62.300 -0.185 0.000 1.042 236 V CB -0.706 31.085 31.823 -0.053 0.000 0.650 236 V HN 0.514 nan 8.190 nan 0.000 0.450 237 E N -0.134 120.026 120.200 -0.067 0.000 2.112 237 E HA -0.129 4.222 4.350 0.002 0.000 0.190 237 E C 2.247 178.829 176.600 -0.030 0.000 0.979 237 E CA 0.991 57.375 56.400 -0.027 0.000 0.814 237 E CB -0.199 29.512 29.700 0.018 0.000 0.762 237 E HN 0.556 nan 8.360 nan 0.000 0.460 238 A N 1.186 124.001 122.820 -0.008 0.000 1.902 238 A HA -0.176 4.145 4.320 0.002 0.000 0.217 238 A C 2.129 179.749 177.584 0.059 0.000 1.181 238 A CA 1.273 53.394 52.037 0.140 0.000 0.623 238 A CB -0.657 18.453 19.000 0.182 0.000 0.818 238 A HN 0.392 nan 8.150 nan 0.000 0.443 239 L N -0.247 120.820 121.223 -0.260 0.000 2.083 239 L HA -0.088 4.253 4.340 0.002 0.000 0.209 239 L C 2.583 179.451 176.870 -0.003 0.000 1.083 239 L CA 2.491 57.192 54.840 -0.233 0.000 0.752 239 L CB -0.680 41.066 42.059 -0.520 0.000 0.899 239 L HN 0.375 nan 8.230 nan 0.000 0.433 240 S N -1.790 113.902 115.700 -0.014 0.000 2.345 240 S HA -0.169 4.302 4.470 0.002 0.000 0.219 240 S C 1.918 176.549 174.600 0.051 0.000 1.031 240 S CA 1.735 59.985 58.200 0.083 0.000 0.984 240 S CB -0.473 62.753 63.200 0.044 0.000 0.874 240 S HN 0.603 nan 8.310 nan 0.000 0.451 241 T N 0.484 115.010 114.554 -0.046 0.000 2.746 241 T HA -0.043 4.308 4.350 0.002 0.000 0.267 241 T C 1.281 175.828 174.700 -0.255 0.000 1.039 241 T CA 1.643 63.623 62.100 -0.199 0.000 1.142 241 T CB -0.420 68.220 68.868 -0.380 0.000 0.866 241 T HN 0.550 nan 8.240 nan 0.000 0.444 242 Y N -0.593 119.711 120.300 0.007 0.000 2.517 242 Y HA 0.367 4.918 4.550 0.002 0.000 0.281 242 Y C 1.643 177.553 175.900 0.017 0.000 1.125 242 Y CA -0.040 58.060 58.100 0.000 0.000 1.283 242 Y CB 0.202 38.653 38.460 -0.015 0.000 1.042 242 Y HN 0.106 nan 8.280 nan 0.000 0.547 243 L N -2.631 118.696 121.223 0.174 0.000 2.932 243 L HA 0.129 4.470 4.340 0.002 0.000 0.168 243 L C 1.733 178.692 176.870 0.148 0.000 1.125 243 L CA 0.556 55.494 54.840 0.162 0.000 0.868 243 L CB -0.882 41.305 42.059 0.214 0.000 1.496 243 L HN 0.215 nan 8.230 nan 0.000 0.519 244 W N 1.124 122.428 121.300 0.006 0.000 2.363 244 W HA -0.118 4.543 4.660 0.002 0.000 0.296 244 W C 1.900 178.417 176.519 -0.002 0.000 1.212 244 W CA 1.878 59.225 57.345 0.004 0.000 1.260 244 W CB 0.044 29.498 29.460 -0.010 0.000 1.131 244 W HN 0.402 nan 8.180 nan 0.000 0.530 245 A N 0.237 123.115 122.820 0.097 0.000 2.168 245 A HA -0.130 4.191 4.320 0.002 0.000 0.215 245 A C 1.798 179.348 177.584 -0.057 0.000 1.152 245 A CA 1.086 53.131 52.037 0.013 0.000 0.716 245 A CB -0.441 18.576 19.000 0.028 0.000 0.794 245 A HN 0.295 nan 8.150 nan 0.000 0.465 246 K N -0.459 119.901 120.400 -0.066 0.000 2.379 246 K HA 0.254 4.575 4.320 0.002 0.000 0.194 246 K C 1.064 177.596 176.600 -0.113 0.000 1.031 246 K CA 0.155 56.401 56.287 -0.069 0.000 1.037 246 K CB 0.017 32.497 32.500 -0.034 0.000 0.824 246 K HN 0.440 nan 8.250 nan 0.000 0.516 247 L N 0.631 121.729 121.223 -0.208 0.000 2.418 247 L HA -0.016 4.325 4.340 0.002 0.000 0.218 247 L C 0.128 176.866 176.870 -0.220 0.000 1.125 247 L CA 0.173 54.857 54.840 -0.261 0.000 0.835 247 L CB -0.379 41.384 42.059 -0.493 0.000 0.953 247 L HN 0.243 nan 8.230 nan 0.000 0.454 248 D N 0.843 121.128 120.400 -0.191 0.000 2.705 248 D HA -0.165 4.476 4.640 0.002 0.000 0.240 248 D C 0.249 176.450 176.300 -0.166 0.000 1.137 248 D CA 0.626 54.543 54.000 -0.138 0.000 0.677 248 D CB -0.446 40.300 40.800 -0.090 0.000 1.049 248 D HN 0.343 nan 8.370 nan 0.000 0.427 249 A N 0.670 123.337 122.820 -0.255 0.000 2.386 249 A HA 0.317 4.638 4.320 0.002 0.000 0.248 249 A C 1.369 178.919 177.584 -0.058 0.000 1.082 249 A CA 0.193 52.090 52.037 -0.233 0.000 0.789 249 A CB 0.510 19.236 19.000 -0.458 0.000 1.025 249 A HN 0.279 nan 8.150 nan 0.000 0.490 250 D N 0.317 120.715 120.400 -0.003 0.000 2.117 250 D HA -0.024 4.617 4.640 0.002 0.000 0.198 250 D C 0.549 176.889 176.300 0.066 0.000 0.982 250 D CA 1.344 55.360 54.000 0.026 0.000 0.828 250 D CB 0.142 40.959 40.800 0.027 0.000 0.967 250 D HN 0.541 nan 8.370 nan 0.000 0.464 251 R N 0.615 121.201 120.500 0.142 0.000 2.837 251 R HA 0.258 4.599 4.340 0.002 0.000 0.271 251 R C -0.847 175.649 176.300 0.327 0.000 0.993 251 R CA -0.865 55.335 56.100 0.165 0.000 0.931 251 R CB 1.454 31.823 30.300 0.115 0.000 1.206 251 R HN -0.154 nan 8.270 nan 0.000 0.474 252 D N 1.023 121.552 120.400 0.215 0.000 2.419 252 D HA 0.127 4.768 4.640 0.002 0.000 0.236 252 D C 0.100 176.399 176.300 -0.001 0.000 1.165 252 D CA 0.571 54.674 54.000 0.172 0.000 0.882 252 D CB 0.663 41.482 40.800 0.031 0.000 1.201 252 D HN 0.542 nan 8.370 nan 0.000 0.443 253 A N 1.118 123.632 122.820 -0.510 0.000 2.246 253 A HA 0.656 4.977 4.320 0.002 0.000 0.291 253 A C 0.404 177.758 177.584 -0.384 0.000 1.103 253 A CA -0.350 51.280 52.037 -0.678 0.000 0.844 253 A CB 0.580 18.700 19.000 -1.467 0.000 1.136 253 A HN 0.599 nan 8.150 nan 0.000 0.500 254 T N -1.910 112.468 114.554 -0.294 0.000 2.916 254 T HA 0.706 5.057 4.350 0.002 0.000 0.292 254 T C -0.616 173.975 174.700 -0.180 0.000 1.064 254 T CA -0.500 61.482 62.100 -0.196 0.000 1.011 254 T CB 1.251 70.037 68.868 -0.136 0.000 1.152 254 T HN 0.990 nan 8.240 nan 0.000 0.510 255 I N 1.794 122.289 120.570 -0.126 0.000 2.692 255 I HA 0.437 4.608 4.170 0.002 0.000 0.293 255 I C 0.076 176.164 176.117 -0.047 0.000 1.200 255 I CA -0.693 60.555 61.300 -0.086 0.000 1.036 255 I CB 2.329 40.278 38.000 -0.085 0.000 1.258 255 I HN 1.130 nan 8.210 nan 0.000 0.421 256 T N 4.578 119.127 114.554 -0.009 0.000 2.932 256 T HA 0.442 4.793 4.350 0.002 0.000 0.312 256 T C -0.110 174.611 174.700 0.036 0.000 1.071 256 T CA -0.384 61.733 62.100 0.029 0.000 1.128 256 T CB 1.000 69.949 68.868 0.134 0.000 0.984 256 T HN 0.568 nan 8.240 nan 0.000 0.549 257 V N 0.078 120.017 119.914 0.041 0.000 2.735 257 V HA 0.692 4.813 4.120 0.002 0.000 0.310 257 V C -0.254 175.879 176.094 0.065 0.000 1.061 257 V CA -1.279 61.042 62.300 0.035 0.000 0.913 257 V CB 1.650 33.499 31.823 0.044 0.000 1.005 257 V HN 1.085 nan 8.190 nan 0.000 0.428 258 D N 1.725 122.162 120.400 0.063 0.000 2.440 258 D HA 0.202 4.843 4.640 0.002 0.000 0.269 258 D C 1.395 177.721 176.300 0.043 0.000 1.249 258 D CA 0.445 54.478 54.000 0.056 0.000 1.055 258 D CB 0.360 41.177 40.800 0.029 0.000 1.104 258 D HN 0.794 nan 8.370 nan 0.000 0.561 259 T N -4.368 110.202 114.554 0.026 0.000 3.007 259 T HA -0.133 4.218 4.350 0.002 0.000 0.270 259 T C 1.576 176.290 174.700 0.023 0.000 1.107 259 T CA 1.524 63.644 62.100 0.033 0.000 1.118 259 T CB -1.055 67.831 68.868 0.030 0.000 0.889 259 T HN 0.600 nan 8.240 nan 0.000 0.506 260 T N -2.422 112.134 114.554 0.002 0.000 3.107 260 T HA 0.480 4.831 4.350 0.002 0.000 0.249 260 T C 1.826 176.541 174.700 0.025 0.000 1.096 260 T CA 0.471 62.575 62.100 0.005 0.000 1.012 260 T CB -0.330 68.539 68.868 0.002 0.000 0.977 260 T HN 0.868 nan 8.240 nan 0.000 0.527 261 G N 1.096 109.924 108.800 0.047 0.000 2.157 261 G HA2 -0.225 3.736 3.960 0.002 0.000 0.248 261 G HA3 -0.225 3.736 3.960 0.002 0.000 0.248 261 G C -0.197 174.760 174.900 0.096 0.000 0.979 261 G CA -0.114 45.025 45.100 0.064 0.000 0.650 261 G HN 0.656 nan 8.290 nan 0.000 0.529 262 F N 2.840 122.733 119.950 -0.096 0.000 2.472 262 F HA 0.558 5.086 4.527 0.002 0.000 0.364 262 F C 1.011 176.774 175.800 -0.062 0.000 1.090 262 F CA -0.195 57.726 58.000 -0.132 0.000 1.188 262 F CB 0.517 39.242 39.000 -0.459 0.000 1.105 262 F HN 0.266 nan 8.300 nan 0.000 0.536 263 G N 5.133 113.632 108.800 -0.502 0.000 2.441 263 G HA2 0.088 4.050 3.960 0.002 0.000 0.243 263 G HA3 0.088 4.050 3.960 0.002 0.000 0.243 263 G C -0.685 173.854 174.900 -0.601 0.000 1.281 263 G CA -0.641 44.254 45.100 -0.343 0.000 0.854 263 G HN 0.973 nan 8.290 nan 0.000 0.560 264 C N 3.934 123.061 119.300 -0.288 0.000 2.423 264 C HA 0.459 4.920 4.460 0.002 0.000 0.378 264 C C 1.934 176.719 174.990 -0.342 0.000 1.068 264 C CA -0.259 58.560 59.018 -0.331 0.000 1.371 264 C CB -1.764 25.835 27.740 -0.234 0.000 1.856 264 C HN 0.823 nan 8.230 nan 0.000 0.523 265 A N 3.834 126.403 122.820 -0.419 0.000 1.972 265 A HA -0.180 4.141 4.320 0.002 0.000 0.219 265 A C 2.221 179.717 177.584 -0.147 0.000 1.169 265 A CA 1.964 53.796 52.037 -0.342 0.000 0.635 265 A CB -0.722 17.841 19.000 -0.729 0.000 0.810 265 A HN 1.015 nan 8.150 nan 0.000 0.446 266 H N -2.522 116.473 119.070 -0.125 0.000 2.529 266 H HA 0.202 4.759 4.556 0.002 0.000 0.277 266 H C 1.262 176.572 175.328 -0.030 0.000 0.999 266 H CA 1.410 57.412 56.048 -0.077 0.000 1.256 266 H CB 0.039 29.739 29.762 -0.104 0.000 1.402 266 H HN 0.413 nan 8.280 nan 0.000 0.566 267 G N -0.462 108.098 108.800 -0.400 0.000 3.912 267 G HA2 0.088 4.049 3.960 0.002 0.000 0.203 267 G HA3 0.088 4.049 3.960 0.002 0.000 0.203 267 G C 1.178 176.173 174.900 0.158 0.000 1.112 267 G CA 0.152 45.196 45.100 -0.094 0.000 0.871 267 G HN 0.510 nan 8.290 nan 0.000 0.549 268 G N 0.615 109.463 108.800 0.079 0.000 3.277 268 G HA2 0.411 4.372 3.960 0.002 0.000 0.243 268 G HA3 0.411 4.372 3.960 0.002 0.000 0.243 268 G C 0.196 175.120 174.900 0.040 0.000 1.107 268 G CA 0.054 45.283 45.100 0.216 0.000 0.771 268 G HN 0.259 nan 8.290 nan 0.000 0.544 269 V N 1.349 121.267 119.914 0.006 0.000 2.583 269 V HA 0.462 4.583 4.120 0.002 0.000 0.287 269 V C 0.151 176.212 176.094 -0.056 0.000 1.051 269 V CA -0.071 62.193 62.300 -0.060 0.000 1.010 269 V CB 1.394 33.173 31.823 -0.073 0.000 0.988 269 V HN 0.165 nan 8.190 nan 0.000 0.478 270 S N 2.712 118.350 115.700 -0.102 0.000 2.513 270 S HA 0.818 5.289 4.470 0.002 0.000 0.299 270 S C -0.416 174.131 174.600 -0.087 0.000 1.087 270 S CA -0.570 57.596 58.200 -0.055 0.000 1.012 270 S CB 1.628 64.791 63.200 -0.062 0.000 1.044 270 S HN 1.154 nan 8.310 nan 0.000 0.485 271 C N 0.031 119.347 119.300 0.026 0.000 3.284 271 C HA 0.856 5.317 4.460 0.002 0.000 0.348 271 C C 0.223 175.333 174.990 0.200 0.000 1.448 271 C CA -0.888 58.176 59.018 0.076 0.000 1.223 271 C CB 0.590 28.382 27.740 0.087 0.000 1.588 271 C HN 0.874 nan 8.230 nan 0.000 0.451 272 T N -0.502 114.194 114.554 0.236 0.000 2.868 272 T HA 0.541 4.892 4.350 0.002 0.000 0.292 272 T C 1.229 176.084 174.700 0.258 0.000 1.028 272 T CA 0.360 62.606 62.100 0.243 0.000 1.059 272 T CB 1.115 70.089 68.868 0.177 0.000 0.991 272 T HN 1.985 nan 8.240 nan 0.000 0.531 273 A N 1.588 124.577 122.820 0.282 0.000 1.902 273 A HA -0.045 4.276 4.320 0.002 0.000 0.217 273 A C 2.416 180.104 177.584 0.174 0.000 1.181 273 A CA 1.746 53.913 52.037 0.217 0.000 0.623 273 A CB -0.893 18.259 19.000 0.252 0.000 0.818 273 A HN 0.863 nan 8.150 nan 0.000 0.443 274 R N 0.354 120.964 120.500 0.183 0.000 2.096 274 R HA -0.125 4.216 4.340 0.002 0.000 0.235 274 R C 1.306 177.662 176.300 0.093 0.000 1.127 274 R CA 2.078 58.251 56.100 0.121 0.000 0.968 274 R CB -0.631 29.733 30.300 0.108 0.000 0.861 274 R HN 0.476 nan 8.270 nan 0.000 0.440 275 D N -0.232 120.247 120.400 0.132 0.000 2.149 275 D HA -0.119 4.522 4.640 0.002 0.000 0.201 275 D C 1.728 178.103 176.300 0.124 0.000 0.972 275 D CA 0.864 54.921 54.000 0.096 0.000 0.835 275 D CB -0.229 40.724 40.800 0.256 0.000 0.966 275 D HN 0.167 nan 8.370 nan 0.000 0.476 276 L N 1.037 122.407 121.223 0.246 0.000 2.083 276 L HA -0.077 4.264 4.340 0.002 0.000 0.209 276 L C 2.054 179.016 176.870 0.154 0.000 1.083 276 L CA 1.506 56.495 54.840 0.249 0.000 0.752 276 L CB -0.686 41.506 42.059 0.221 0.000 0.899 276 L HN -0.041 nan 8.230 nan 0.000 0.433 277 A N -0.544 122.340 122.820 0.106 0.000 2.019 277 A HA -0.205 4.116 4.320 0.002 0.000 0.219 277 A C 2.348 179.962 177.584 0.050 0.000 1.164 277 A CA 1.558 53.640 52.037 0.075 0.000 0.644 277 A CB -0.539 18.488 19.000 0.044 0.000 0.805 277 A HN 0.531 nan 8.150 nan 0.000 0.449 278 R N -0.685 119.820 120.500 0.009 0.000 2.148 278 R HA -0.053 4.288 4.340 0.002 0.000 0.227 278 R C 1.861 178.153 176.300 -0.014 0.000 1.103 278 R CA 1.245 57.320 56.100 -0.041 0.000 0.983 278 R CB -0.455 29.760 30.300 -0.141 0.000 0.874 278 R HN 0.412 nan 8.270 nan 0.000 0.451 279 V N 0.154 120.093 119.914 0.042 0.000 2.358 279 V HA -0.134 3.987 4.120 0.002 0.000 0.246 279 V C 2.396 178.590 176.094 0.166 0.000 1.047 279 V CA 2.111 64.487 62.300 0.127 0.000 1.035 279 V CB -0.842 31.118 31.823 0.228 0.000 0.658 279 V HN 0.507 nan 8.190 nan 0.000 0.452 280 G N -0.010 108.889 108.800 0.165 0.000 2.422 280 G HA2 -0.307 3.654 3.960 0.002 0.000 0.218 280 G HA3 -0.307 3.654 3.960 0.002 0.000 0.218 280 G C 1.666 176.605 174.900 0.064 0.000 1.146 280 G CA 0.948 46.132 45.100 0.140 0.000 0.769 280 G HN 0.411 nan 8.290 nan 0.000 0.547 281 R N 0.060 120.588 120.500 0.046 0.000 2.081 281 R HA 0.013 4.354 4.340 0.002 0.000 0.235 281 R C 2.410 178.718 176.300 0.013 0.000 1.131 281 R CA 1.506 57.617 56.100 0.019 0.000 0.960 281 R CB -0.555 29.749 30.300 0.006 0.000 0.856 281 R HN 0.338 nan 8.270 nan 0.000 0.436 282 M N -0.644 118.971 119.600 0.025 0.000 2.117 282 M HA -0.153 4.328 4.480 0.002 0.000 0.262 282 M C 1.426 177.744 176.300 0.030 0.000 1.065 282 M CA 1.735 57.052 55.300 0.028 0.000 1.114 282 M CB -0.228 32.398 32.600 0.042 0.000 1.361 282 M HN 0.214 nan 8.290 nan 0.000 0.408 283 M N 0.285 119.904 119.600 0.032 0.000 2.159 283 M HA -0.114 4.367 4.480 0.002 0.000 0.263 283 M C 2.062 178.328 176.300 -0.058 0.000 1.063 283 M CA 1.293 56.578 55.300 -0.025 0.000 1.110 283 M CB -1.198 31.335 32.600 -0.112 0.000 1.374 283 M HN 0.329 nan 8.290 nan 0.000 0.411 284 L N -0.659 120.539 121.223 -0.043 0.000 2.554 284 L HA -0.073 4.268 4.340 0.002 0.000 0.226 284 L C 0.489 177.343 176.870 -0.026 0.000 1.137 284 L CA 0.238 55.051 54.840 -0.046 0.000 0.863 284 L CB -0.359 41.679 42.059 -0.035 0.000 0.985 284 L HN 0.141 nan 8.230 nan 0.000 0.451 285 D N 0.450 120.841 120.400 -0.014 0.000 2.427 285 D HA 0.170 4.811 4.640 0.002 0.000 0.224 285 D C 1.440 177.739 176.300 -0.002 0.000 1.157 285 D CA 0.461 54.457 54.000 -0.007 0.000 0.828 285 D CB 0.586 41.385 40.800 -0.002 0.000 0.974 285 D HN 0.253 nan 8.370 nan 0.000 0.498 286 G N 0.436 109.232 108.800 -0.006 0.000 2.168 286 G HA2 -0.243 3.718 3.960 0.002 0.000 0.257 286 G HA3 -0.243 3.718 3.960 0.002 0.000 0.257 286 G C 1.110 176.026 174.900 0.028 0.000 0.997 286 G CA 0.393 45.496 45.100 0.004 0.000 0.708 286 G HN 0.832 nan 8.290 nan 0.000 0.520 287 G N -3.088 105.733 108.800 0.034 0.000 2.179 287 G HA2 0.045 4.006 3.960 0.002 0.000 0.220 287 G HA3 0.045 4.006 3.960 0.002 0.000 0.220 287 G C 0.275 175.198 174.900 0.037 0.000 0.990 287 G CA 0.328 45.462 45.100 0.056 0.000 0.646 287 G HN 1.587 nan 8.290 nan 0.000 0.517 288 V N 1.251 121.179 119.914 0.022 0.000 2.439 288 V HA 0.794 4.915 4.120 0.002 0.000 0.282 288 V C 0.761 176.857 176.094 0.004 0.000 1.039 288 V CA 0.075 62.382 62.300 0.012 0.000 0.913 288 V CB 1.334 33.160 31.823 0.006 0.000 0.983 288 V HN 1.047 nan 8.190 nan 0.000 0.460 289 A N 5.894 128.712 122.820 -0.004 0.000 2.313 289 A HA 0.817 5.138 4.320 0.002 0.000 0.323 289 A C -1.795 175.773 177.584 -0.027 0.000 1.133 289 A CA -1.739 50.285 52.037 -0.021 0.000 0.847 289 A CB 0.956 19.936 19.000 -0.033 0.000 1.308 289 A HN 0.625 nan 8.150 nan 0.000 0.475 290 P HA -0.125 nan 4.420 nan 0.000 0.217 290 P C 0.870 178.151 177.300 -0.032 0.000 1.148 290 P CA 1.365 64.444 63.100 -0.035 0.000 0.828 290 P CB 0.133 31.805 31.700 -0.046 0.000 0.783 291 R N -1.397 119.081 120.500 -0.037 0.000 2.359 291 R HA 0.446 4.787 4.340 0.002 0.000 0.231 291 R C 0.683 176.969 176.300 -0.023 0.000 0.913 291 R CA 0.240 56.321 56.100 -0.032 0.000 1.075 291 R CB 0.396 30.672 30.300 -0.040 0.000 1.087 291 R HN 0.195 nan 8.270 nan 0.000 0.515 292 G N 0.748 109.537 108.800 -0.018 0.000 2.359 292 G HA2 -0.089 3.872 3.960 0.002 0.000 0.314 292 G HA3 -0.089 3.872 3.960 0.002 0.000 0.314 292 G C -1.626 173.273 174.900 -0.002 0.000 1.364 292 G CA -1.127 43.967 45.100 -0.009 0.000 0.978 292 G HN 0.141 nan 8.290 nan 0.000 0.615 293 R N -0.139 120.365 120.500 0.006 0.000 2.489 293 R HA 0.472 4.814 4.340 0.002 0.000 0.287 293 R C 0.853 177.165 176.300 0.020 0.000 1.053 293 R CA 0.051 56.160 56.100 0.013 0.000 1.036 293 R CB 0.892 31.201 30.300 0.016 0.000 0.966 293 R HN 0.337 nan 8.270 nan 0.000 0.432 294 V N 4.856 124.785 119.914 0.025 0.000 2.391 294 V HA 0.023 4.144 4.120 0.002 0.000 0.237 294 V C 0.463 176.562 176.094 0.007 0.000 1.046 294 V CA 1.146 63.466 62.300 0.034 0.000 1.053 294 V CB 0.391 32.242 31.823 0.047 0.000 0.704 294 V HN 0.713 nan 8.190 nan 0.000 0.475 295 V N -1.994 117.923 119.914 0.005 0.000 3.126 295 V HA 0.778 4.899 4.120 0.002 0.000 0.314 295 V C -0.131 175.986 176.094 0.037 0.000 1.138 295 V CA -0.554 61.723 62.300 -0.039 0.000 1.034 295 V CB 1.590 33.349 31.823 -0.106 0.000 1.075 295 V HN 0.370 nan 8.190 nan 0.000 0.442 296 S N 0.351 116.087 115.700 0.060 0.000 2.593 296 S HA 0.266 4.737 4.470 0.002 0.000 0.269 296 S C 0.783 175.457 174.600 0.123 0.000 1.334 296 S CA -0.059 58.195 58.200 0.089 0.000 1.015 296 S CB 0.808 64.066 63.200 0.096 0.000 0.912 296 S HN 0.823 nan 8.310 nan 0.000 0.541 297 E N 1.090 121.337 120.200 0.078 0.000 2.118 297 E HA -0.211 4.140 4.350 0.002 0.000 0.195 297 E C 1.457 178.096 176.600 0.066 0.000 0.992 297 E CA 1.746 58.181 56.400 0.058 0.000 0.804 297 E CB -0.498 29.222 29.700 0.032 0.000 0.741 297 E HN 0.931 nan 8.360 nan 0.000 0.458 298 D N 0.176 120.627 120.400 0.086 0.000 2.117 298 D HA -0.170 4.471 4.640 0.002 0.000 0.197 298 D C 1.712 178.073 176.300 0.102 0.000 0.987 298 D CA 1.040 55.086 54.000 0.076 0.000 0.829 298 D CB -0.153 40.698 40.800 0.085 0.000 0.961 298 D HN 0.252 nan 8.370 nan 0.000 0.460 299 W N 0.820 122.110 121.300 -0.018 0.000 2.355 299 W HA -0.196 4.465 4.660 0.002 0.000 0.309 299 W C 1.707 178.197 176.519 -0.049 0.000 1.206 299 W CA 1.029 58.364 57.345 -0.017 0.000 1.284 299 W CB -0.479 28.983 29.460 0.004 0.000 1.145 299 W HN -0.087 nan 8.180 nan 0.000 0.502 300 V N 1.353 121.346 119.914 0.131 0.000 2.343 300 V HA -0.296 3.825 4.120 0.002 0.000 0.247 300 V C 2.656 178.654 176.094 -0.160 0.000 1.051 300 V CA 2.331 64.607 62.300 -0.040 0.000 1.036 300 V CB -1.028 30.799 31.823 0.007 0.000 0.654 300 V HN 0.151 nan 8.190 nan 0.000 0.451 301 R N -0.122 120.318 120.500 -0.100 0.000 2.091 301 R HA -0.159 4.182 4.340 0.002 0.000 0.238 301 R C 2.560 178.761 176.300 -0.166 0.000 1.136 301 R CA 1.625 57.657 56.100 -0.113 0.000 0.959 301 R CB -0.144 30.118 30.300 -0.063 0.000 0.856 301 R HN 0.453 nan 8.270 nan 0.000 0.437 302 R N -0.446 119.929 120.500 -0.209 0.000 2.092 302 R HA -0.059 4.282 4.340 0.002 0.000 0.231 302 R C 2.262 178.359 176.300 -0.339 0.000 1.119 302 R CA 1.253 57.198 56.100 -0.259 0.000 0.970 302 R CB -0.176 29.942 30.300 -0.303 0.000 0.864 302 R HN 0.100 nan 8.270 nan 0.000 0.440 303 V N 1.628 121.267 119.914 -0.460 0.000 2.295 303 V HA -0.230 3.891 4.120 0.002 0.000 0.246 303 V C 2.264 178.133 176.094 -0.375 0.000 1.049 303 V CA 1.676 63.687 62.300 -0.482 0.000 1.024 303 V CB -0.379 31.042 31.823 -0.669 0.000 0.648 303 V HN 0.297 nan 8.190 nan 0.000 0.447 304 L N -0.021 121.005 121.223 -0.329 0.000 2.201 304 L HA -0.087 4.254 4.340 0.002 0.000 0.212 304 L C 2.596 179.358 176.870 -0.179 0.000 1.105 304 L CA 1.208 55.891 54.840 -0.261 0.000 0.775 304 L CB -0.697 41.230 42.059 -0.220 0.000 0.913 304 L HN 0.367 nan 8.230 nan 0.000 0.440 305 A N -0.173 122.553 122.820 -0.157 0.000 2.014 305 A HA 0.299 4.620 4.320 0.002 0.000 0.218 305 A C 1.306 178.855 177.584 -0.059 0.000 1.163 305 A CA 0.994 52.973 52.037 -0.096 0.000 0.652 305 A CB -0.440 18.506 19.000 -0.091 0.000 0.808 305 A HN 0.480 nan 8.150 nan 0.000 0.449 306 G N -2.980 105.765 108.800 -0.093 0.000 2.663 306 G HA2 0.390 4.351 3.960 0.002 0.000 0.686 306 G HA3 0.390 4.351 3.960 0.002 0.000 0.686 306 G C 0.226 175.117 174.900 -0.015 0.000 1.288 306 G CA -0.353 44.721 45.100 -0.043 0.000 0.836 306 G HN 1.279 nan 8.290 nan 0.000 0.584 307 G N -1.035 107.777 108.800 0.020 0.000 2.568 307 G HA2 0.725 4.686 3.960 0.002 0.000 0.293 307 G HA3 0.725 4.686 3.960 0.002 0.000 0.293 307 G C 0.706 175.691 174.900 0.142 0.000 1.347 307 G CA 0.931 46.059 45.100 0.048 0.000 1.039 307 G HN 2.035 nan 8.290 nan 0.000 0.523 308 S N -1.433 114.336 115.700 0.116 0.000 2.516 308 S HA 0.054 4.525 4.470 0.002 0.000 0.282 308 S C 1.139 175.880 174.600 0.234 0.000 1.286 308 S CA -0.184 58.097 58.200 0.136 0.000 1.066 308 S CB -0.154 63.096 63.200 0.083 0.000 0.884 308 S HN 0.588 nan 8.310 nan 0.000 0.491 309 H N 2.650 121.743 119.070 0.038 0.000 2.389 309 H HA -0.084 4.473 4.556 0.002 0.000 0.299 309 H C 1.990 177.357 175.328 0.064 0.000 1.081 309 H CA 1.397 57.479 56.048 0.057 0.000 1.345 309 H CB 0.105 29.899 29.762 0.054 0.000 1.393 309 H HN 0.794 nan 8.280 nan 0.000 0.520 310 E N 1.902 122.211 120.200 0.181 0.000 2.118 310 E HA -0.167 4.184 4.350 0.002 0.000 0.195 310 E C 2.255 178.927 176.600 0.119 0.000 0.992 310 E CA 1.293 57.766 56.400 0.122 0.000 0.804 310 E CB -0.186 29.562 29.700 0.080 0.000 0.741 310 E HN 0.405 nan 8.360 nan 0.000 0.458 311 A N 0.215 123.109 122.820 0.124 0.000 2.015 311 A HA -0.004 4.317 4.320 0.002 0.000 0.219 311 A C 1.445 179.132 177.584 0.172 0.000 1.163 311 A CA 1.101 53.219 52.037 0.136 0.000 0.646 311 A CB -0.486 18.595 19.000 0.135 0.000 0.806 311 A HN 0.397 nan 8.150 nan 0.000 0.448 312 M N 2.266 121.946 119.600 0.134 0.000 2.383 312 M HA 0.199 4.680 4.480 0.002 0.000 0.337 312 M C 0.744 177.148 176.300 0.174 0.000 1.422 312 M CA 0.628 55.992 55.300 0.108 0.000 1.333 312 M CB 0.012 32.637 32.600 0.041 0.000 1.488 312 M HN 0.239 nan 8.290 nan 0.000 0.454 313 T N -0.753 113.936 114.554 0.225 0.000 3.085 313 T HA 0.192 4.543 4.350 0.002 0.000 0.264 313 T C 0.353 175.185 174.700 0.220 0.000 1.019 313 T CA -0.478 61.737 62.100 0.191 0.000 0.910 313 T CB -0.262 68.698 68.868 0.153 0.000 1.059 313 T HN 0.584 nan 8.240 nan 0.000 0.542 314 D N 2.184 122.768 120.400 0.306 0.000 2.348 314 D HA 0.120 4.761 4.640 0.002 0.000 0.259 314 D C 0.900 177.361 176.300 0.269 0.000 1.296 314 D CA 0.037 54.230 54.000 0.322 0.000 0.931 314 D CB 0.892 41.979 40.800 0.477 0.000 1.067 314 D HN 0.330 nan 8.370 nan 0.000 0.503 315 K N 2.117 122.626 120.400 0.183 0.000 2.209 315 K HA -0.103 4.218 4.320 0.002 0.000 0.204 315 K C 1.919 178.589 176.600 0.117 0.000 1.048 315 K CA 0.940 57.306 56.287 0.133 0.000 0.940 315 K CB 0.090 32.645 32.500 0.090 0.000 0.729 315 K HN 0.458 nan 8.250 nan 0.000 0.451 316 G N 1.078 109.953 108.800 0.126 0.000 2.433 316 G HA2 -0.275 3.686 3.960 0.002 0.000 0.216 316 G HA3 -0.275 3.686 3.960 0.002 0.000 0.216 316 G C 1.299 176.246 174.900 0.078 0.000 1.186 316 G CA 0.492 45.625 45.100 0.054 0.000 0.779 316 G HN 0.224 nan 8.290 nan 0.000 0.543 317 F N 2.474 122.476 119.950 0.087 0.000 2.146 317 F HA -0.061 4.468 4.527 0.002 0.000 0.298 317 F C 3.050 179.007 175.800 0.262 0.000 1.096 317 F CA 2.157 60.298 58.000 0.236 0.000 1.275 317 F CB -0.530 38.681 39.000 0.351 0.000 1.008 317 F HN 0.229 nan 8.300 nan 0.000 0.480 318 T N -2.362 112.324 114.554 0.221 0.000 3.023 318 T HA -0.081 4.270 4.350 0.002 0.000 0.266 318 T C 1.755 176.459 174.700 0.007 0.000 1.093 318 T CA 0.967 63.126 62.100 0.098 0.000 1.129 318 T CB -0.539 68.418 68.868 0.148 0.000 0.899 318 T HN 0.141 nan 8.240 nan 0.000 0.491 319 N N 1.516 120.216 118.700 -0.001 0.000 2.166 319 N HA -0.049 4.692 4.740 0.002 0.000 0.186 319 N C 1.892 177.329 175.510 -0.122 0.000 1.019 319 N CA 1.739 54.765 53.050 -0.040 0.000 0.856 319 N CB -0.655 37.815 38.487 -0.029 0.000 0.993 319 N HN 0.503 nan 8.380 nan 0.000 0.426 320 T N -0.635 113.782 114.554 -0.228 0.000 2.976 320 T HA 0.128 4.479 4.350 0.002 0.000 0.257 320 T C -0.004 174.258 174.700 -0.730 0.000 1.051 320 T CA 0.607 62.391 62.100 -0.527 0.000 1.141 320 T CB 0.060 68.497 68.868 -0.718 0.000 0.881 320 T HN 0.038 nan 8.240 nan 0.000 0.461 321 F N 1.836 121.652 119.950 -0.224 0.000 2.564 321 F HA 0.365 4.893 4.527 0.002 0.000 0.361 321 F C -1.883 173.807 175.800 -0.184 0.000 1.161 321 F CA -3.117 54.717 58.000 -0.277 0.000 1.198 321 F CB 1.356 39.995 39.000 -0.603 0.000 1.424 321 F HN -0.089 nan 8.300 nan 0.000 0.517 322 P HA -0.187 nan 4.420 nan 0.000 0.217 322 P C 0.350 177.673 177.300 0.038 0.000 1.148 322 P CA 1.635 64.757 63.100 0.037 0.000 0.828 322 P CB 0.461 32.180 31.700 0.032 0.000 0.783 323 D N -0.528 119.882 120.400 0.015 0.000 2.427 323 D HA 0.184 4.825 4.640 0.002 0.000 0.224 323 D C 1.221 177.343 176.300 -0.296 0.000 1.157 323 D CA 0.027 53.975 54.000 -0.087 0.000 0.828 323 D CB 0.153 40.964 40.800 0.018 0.000 0.974 323 D HN 0.114 nan 8.370 nan 0.000 0.498 324 G N 0.531 109.276 108.800 -0.091 0.000 2.599 324 G HA2 0.458 4.419 3.960 0.002 0.000 0.264 324 G HA3 0.458 4.419 3.960 0.002 0.000 0.264 324 G C 0.210 175.136 174.900 0.044 0.000 1.200 324 G CA -0.040 45.090 45.100 0.050 0.000 0.896 324 G HN 0.207 nan 8.290 nan 0.000 0.536 325 S N -1.618 114.190 115.700 0.180 0.000 2.694 325 S HA 0.589 5.061 4.470 0.002 0.000 0.273 325 S C -1.677 172.893 174.600 -0.050 0.000 1.180 325 S CA -0.887 57.321 58.200 0.014 0.000 0.864 325 S CB 1.379 64.577 63.200 -0.004 0.000 1.198 325 S HN 1.181 nan 8.310 nan 0.000 0.499 326 Y N 0.115 120.229 120.300 -0.309 0.000 2.441 326 Y HA 0.648 5.199 4.550 0.002 0.000 0.334 326 Y C -0.935 174.854 175.900 -0.185 0.000 1.061 326 Y CA 0.002 57.861 58.100 -0.401 0.000 1.032 326 Y CB 2.181 40.128 38.460 -0.855 0.000 1.266 326 Y HN 1.124 nan 8.280 nan 0.000 0.441 327 T N 5.498 119.866 114.554 -0.309 0.000 2.982 327 T HA 0.398 4.749 4.350 0.002 0.000 0.321 327 T C -0.853 173.720 174.700 -0.210 0.000 1.229 327 T CA -0.564 61.450 62.100 -0.143 0.000 1.044 327 T CB 0.953 69.743 68.868 -0.131 0.000 1.184 327 T HN 0.839 nan 8.240 nan 0.000 0.477 328 R N 3.195 123.658 120.500 -0.061 0.000 3.516 328 R HA -0.165 4.176 4.340 0.002 0.000 0.271 328 R C 0.049 176.412 176.300 0.106 0.000 1.098 328 R CA 0.864 56.984 56.100 0.034 0.000 0.732 328 R CB -1.455 28.713 30.300 -0.220 0.000 1.152 328 R HN 0.791 nan 8.270 nan 0.000 0.455 329 Q N -4.481 115.266 119.800 -0.089 0.000 2.465 329 Q HA -0.231 4.110 4.340 0.002 0.000 0.248 329 Q C -0.864 174.817 176.000 -0.531 0.000 0.819 329 Q CA 2.023 57.718 55.803 -0.180 0.000 1.219 329 Q CB -1.627 27.090 28.738 -0.035 0.000 1.472 329 Q HN 0.605 nan 8.270 nan 0.000 0.630 330 W N -0.234 120.637 121.300 -0.715 0.000 2.736 330 W HA 0.573 5.234 4.660 0.002 0.000 0.335 330 W C -0.139 175.904 176.519 -0.794 0.000 1.059 330 W CA -0.644 56.407 57.345 -0.491 0.000 1.226 330 W CB 0.676 29.976 29.460 -0.268 0.000 1.416 330 W HN 0.036 nan 8.180 nan 0.000 0.505 331 W N 2.067 123.287 121.300 -0.133 0.000 2.316 331 W HA 0.485 5.146 4.660 0.002 0.000 0.311 331 W C -0.624 175.863 176.519 -0.054 0.000 1.217 331 W CA -0.324 56.936 57.345 -0.141 0.000 1.199 331 W CB 0.781 30.187 29.460 -0.090 0.000 1.202 331 W HN -0.004 nan 8.180 nan 0.000 0.528 332 C N 2.773 122.173 119.300 0.166 0.000 2.301 332 C HA 0.235 4.696 4.460 0.002 0.000 0.323 332 C C 1.776 176.824 174.990 0.096 0.000 1.265 332 C CA -0.521 58.527 59.018 0.049 0.000 1.503 332 C CB 0.337 28.054 27.740 -0.039 0.000 2.195 332 C HN 0.871 nan 8.230 nan 0.000 0.477 333 T N -0.601 113.846 114.554 -0.179 0.000 2.904 333 T HA 0.076 4.427 4.350 0.002 0.000 0.267 333 T C 1.690 176.257 174.700 -0.221 0.000 1.059 333 T CA 1.392 63.171 62.100 -0.535 0.000 1.137 333 T CB -0.366 67.941 68.868 -0.935 0.000 0.879 333 T HN 1.750 nan 8.240 nan 0.000 0.467 334 G N 2.776 111.494 108.800 -0.136 0.000 2.187 334 G HA2 -0.328 3.633 3.960 0.002 0.000 0.261 334 G HA3 -0.328 3.633 3.960 0.002 0.000 0.261 334 G C 0.035 174.930 174.900 -0.008 0.000 1.000 334 G CA 0.416 45.476 45.100 -0.067 0.000 0.718 334 G HN 1.076 nan 8.290 nan 0.000 0.519 335 N N -0.017 118.680 118.700 -0.005 0.000 2.322 335 N HA 0.289 5.030 4.740 0.002 0.000 0.270 335 N C 1.516 177.052 175.510 0.043 0.000 1.286 335 N CA 0.044 53.138 53.050 0.073 0.000 0.948 335 N CB 0.197 38.782 38.487 0.163 0.000 1.164 335 N HN 0.319 nan 8.380 nan 0.000 0.551 336 E N -0.140 120.096 120.200 0.061 0.000 2.338 336 E HA -0.180 4.171 4.350 0.002 0.000 0.197 336 E C 0.651 177.270 176.600 0.031 0.000 1.007 336 E CA 1.021 57.447 56.400 0.043 0.000 0.849 336 E CB -0.232 29.497 29.700 0.049 0.000 0.774 336 E HN 0.664 nan 8.360 nan 0.000 0.506 337 R N 0.175 120.694 120.500 0.032 0.000 2.334 337 R HA 0.348 4.689 4.340 0.002 0.000 0.216 337 R C 0.873 177.147 176.300 -0.043 0.000 0.905 337 R CA 0.460 56.569 56.100 0.014 0.000 1.064 337 R CB 0.195 30.528 30.300 0.054 0.000 1.046 337 R HN 0.191 nan 8.270 nan 0.000 0.508 338 A N 1.747 124.532 122.820 -0.057 0.000 2.783 338 A HA -0.256 4.065 4.320 0.002 0.000 0.292 338 A C -0.538 176.925 177.584 -0.201 0.000 1.495 338 A CA 0.640 52.613 52.037 -0.107 0.000 0.787 338 A CB -2.437 16.512 19.000 -0.085 0.000 1.017 338 A HN 0.593 nan 8.150 nan 0.000 0.516 339 N N -1.207 117.328 118.700 -0.274 0.000 2.407 339 N HA 0.382 5.123 4.740 0.002 0.000 0.250 339 N C -0.183 174.993 175.510 -0.557 0.000 1.236 339 N CA 0.798 53.518 53.050 -0.549 0.000 0.879 339 N CB 0.737 38.698 38.487 -0.876 0.000 1.088 339 N HN 0.315 nan 8.380 nan 0.000 0.450 340 V N 0.583 120.155 119.914 -0.569 0.000 2.789 340 V HA 0.634 4.755 4.120 0.002 0.000 0.311 340 V C -0.452 175.506 176.094 -0.228 0.000 1.073 340 V CA -0.635 61.466 62.300 -0.332 0.000 0.921 340 V CB 1.985 33.625 31.823 -0.305 0.000 1.009 340 V HN 0.650 nan 8.190 nan 0.000 0.426 341 S N 1.569 117.343 115.700 0.123 0.000 2.536 341 S HA 0.730 5.201 4.470 0.002 0.000 0.271 341 S C -0.178 174.742 174.600 0.532 0.000 1.134 341 S CA -0.048 58.359 58.200 0.344 0.000 0.897 341 S CB 1.735 65.140 63.200 0.343 0.000 1.094 341 S HN 1.240 nan 8.310 nan 0.000 0.473 342 G N 2.749 111.806 108.800 0.428 0.000 2.432 342 G HA2 0.608 4.569 3.960 0.002 0.000 0.257 342 G HA3 0.608 4.569 3.960 0.002 0.000 0.257 342 G C -0.770 174.278 174.900 0.246 0.000 1.238 342 G CA -0.327 44.868 45.100 0.159 0.000 0.838 342 G HN 0.720 nan 8.290 nan 0.000 0.547 343 I N 1.011 121.738 120.570 0.262 0.000 2.619 343 I HA 0.564 4.735 4.170 0.002 0.000 0.292 343 I C 0.373 176.581 176.117 0.152 0.000 1.100 343 I CA -0.818 60.576 61.300 0.156 0.000 1.043 343 I CB 2.597 40.549 38.000 -0.079 0.000 1.239 343 I HN 0.648 nan 8.210 nan 0.000 0.420 344 G N 5.231 114.082 108.800 0.084 0.000 2.563 344 G HA2 0.717 4.678 3.960 0.002 0.000 0.302 344 G HA3 0.717 4.678 3.960 0.002 0.000 0.302 344 G C -0.485 174.403 174.900 -0.021 0.000 1.301 344 G CA -0.866 44.270 45.100 0.061 0.000 0.965 344 G HN 0.718 nan 8.290 nan 0.000 0.480 345 I N -1.274 119.270 120.570 -0.043 0.000 2.993 345 I HA 0.179 4.350 4.170 0.002 0.000 0.286 345 I C 0.796 176.787 176.117 -0.210 0.000 1.215 345 I CA -0.047 61.190 61.300 -0.104 0.000 1.393 345 I CB 0.161 37.977 38.000 -0.306 0.000 1.371 345 I HN 0.806 nan 8.210 nan 0.000 0.602 346 H N 2.387 121.201 119.070 -0.426 0.000 3.211 346 H HA -0.154 4.403 4.556 0.002 0.000 0.240 346 H C 1.015 175.337 175.328 -1.677 0.000 1.148 346 H CA 0.974 56.581 56.048 -0.735 0.000 1.160 346 H CB -1.763 27.800 29.762 -0.330 0.000 1.232 346 H HN 1.449 nan 8.280 nan 0.000 0.321 347 G N 0.561 108.195 108.800 -1.943 0.000 2.226 347 G HA2 -0.196 3.765 3.960 0.002 0.000 0.176 347 G HA3 -0.196 3.765 3.960 0.002 0.000 0.176 347 G C -0.279 174.286 174.900 -0.559 0.000 1.042 347 G CA 0.045 44.169 45.100 -1.627 0.000 0.732 347 G HN 0.311 nan 8.290 nan 0.000 0.494 348 Q N 0.179 119.780 119.800 -0.331 0.000 2.290 348 Q HA 0.636 4.977 4.340 0.002 0.000 0.259 348 Q C -0.192 175.807 176.000 -0.003 0.000 0.941 348 Q CA -0.395 55.331 55.803 -0.128 0.000 0.912 348 Q CB 1.405 30.113 28.738 -0.050 0.000 1.244 348 Q HN 0.468 nan 8.270 nan 0.000 0.441 349 N N 1.335 120.066 118.700 0.051 0.000 2.310 349 N HA 0.405 5.146 4.740 0.002 0.000 0.292 349 N C -1.551 174.072 175.510 0.190 0.000 1.049 349 N CA -0.644 52.506 53.050 0.168 0.000 0.849 349 N CB 1.734 40.357 38.487 0.227 0.000 1.532 349 N HN 0.323 nan 8.380 nan 0.000 0.479 350 L N 2.895 124.267 121.223 0.248 0.000 2.297 350 L HA 0.489 4.830 4.340 0.002 0.000 0.277 350 L C -1.409 175.709 176.870 0.414 0.000 1.040 350 L CA -0.603 54.411 54.840 0.290 0.000 0.867 350 L CB 0.066 42.286 42.059 0.268 0.000 1.244 350 L HN 0.609 nan 8.230 nan 0.000 0.433 351 W N 7.823 129.217 121.300 0.157 0.000 2.429 351 W HA 0.461 5.122 4.660 0.002 0.000 0.314 351 W C -1.801 174.779 176.519 0.102 0.000 1.062 351 W CA -0.933 56.496 57.345 0.142 0.000 1.211 351 W CB 1.405 30.929 29.460 0.108 0.000 1.305 351 W HN 0.348 nan 8.180 nan 0.000 0.476 352 L N 5.844 126.973 121.223 -0.158 0.000 2.282 352 L HA 0.203 4.544 4.340 0.002 0.000 0.288 352 L C -0.377 176.327 176.870 -0.276 0.000 1.033 352 L CA -0.279 54.470 54.840 -0.152 0.000 0.807 352 L CB 1.379 43.315 42.059 -0.204 0.000 1.209 352 L HN 0.348 nan 8.230 nan 0.000 0.423 353 D N 4.421 124.789 120.400 -0.052 0.000 2.456 353 D HA 0.254 4.895 4.640 0.002 0.000 0.287 353 D C -1.507 174.784 176.300 -0.017 0.000 1.186 353 D CA -1.705 52.291 54.000 -0.007 0.000 0.916 353 D CB 1.216 42.118 40.800 0.170 0.000 1.029 353 D HN 0.170 nan 8.370 nan 0.000 0.498 354 P HA -0.187 nan 4.420 nan 0.000 0.217 354 P C 1.790 179.075 177.300 -0.025 0.000 1.148 354 P CA 0.690 63.758 63.100 -0.055 0.000 0.828 354 P CB 0.482 32.130 31.700 -0.086 0.000 0.783 355 L N -0.251 120.964 121.223 -0.013 0.000 2.043 355 L HA -0.142 4.199 4.340 0.002 0.000 0.212 355 L C 2.238 179.116 176.870 0.014 0.000 1.075 355 L CA 2.449 57.291 54.840 0.004 0.000 0.752 355 L CB -1.254 40.816 42.059 0.018 0.000 0.891 355 L HN 0.189 nan 8.230 nan 0.000 0.432 356 T N -5.744 108.825 114.554 0.026 0.000 3.092 356 T HA 0.090 4.441 4.350 0.002 0.000 0.258 356 T C 0.572 175.286 174.700 0.023 0.000 1.031 356 T CA 0.135 62.253 62.100 0.030 0.000 0.925 356 T CB 0.160 69.057 68.868 0.048 0.000 1.036 356 T HN 0.248 nan 8.240 nan 0.000 0.544 357 D N 0.522 120.929 120.400 0.013 0.000 2.772 357 D HA -0.154 4.487 4.640 0.002 0.000 0.233 357 D C -0.697 175.613 176.300 0.017 0.000 1.143 357 D CA 0.561 54.564 54.000 0.006 0.000 0.700 357 D CB -1.463 39.339 40.800 0.004 0.000 1.076 357 D HN 0.541 nan 8.370 nan 0.000 0.430 358 S N -1.168 114.552 115.700 0.032 0.000 2.568 358 S HA 0.792 5.263 4.470 0.002 0.000 0.302 358 S C -0.311 174.332 174.600 0.071 0.000 1.082 358 S CA -0.744 57.485 58.200 0.049 0.000 1.009 358 S CB 2.644 65.883 63.200 0.066 0.000 1.069 358 S HN 0.102 nan 8.310 nan 0.000 0.500 359 V N 2.806 122.762 119.914 0.069 0.000 2.540 359 V HA 0.538 4.659 4.120 0.002 0.000 0.302 359 V C -0.741 175.403 176.094 0.083 0.000 1.035 359 V CA -0.568 61.792 62.300 0.100 0.000 0.873 359 V CB 1.456 33.325 31.823 0.075 0.000 0.992 359 V HN 0.757 nan 8.190 nan 0.000 0.428 360 I N 4.464 125.129 120.570 0.158 0.000 2.406 360 I HA 0.485 4.657 4.170 0.002 0.000 0.290 360 I C -0.636 175.503 176.117 0.036 0.000 0.999 360 I CA -0.814 60.495 61.300 0.016 0.000 1.124 360 I CB 2.019 40.028 38.000 0.016 0.000 1.289 360 I HN 0.260 nan 8.210 nan 0.000 0.441 361 V N 6.636 126.489 119.914 -0.102 0.000 2.398 361 V HA 0.389 4.510 4.120 0.002 0.000 0.286 361 V C -0.110 175.937 176.094 -0.078 0.000 1.026 361 V CA -0.588 61.691 62.300 -0.036 0.000 0.868 361 V CB 1.709 33.522 31.823 -0.018 0.000 0.982 361 V HN 0.634 nan 8.190 nan 0.000 0.443 362 K N 5.494 125.902 120.400 0.014 0.000 2.507 362 K HA 0.685 5.006 4.320 0.002 0.000 0.252 362 K C -1.740 174.810 176.600 -0.084 0.000 0.943 362 K CA -0.582 55.734 56.287 0.047 0.000 0.808 362 K CB 1.394 33.975 32.500 0.135 0.000 1.142 362 K HN 0.612 nan 8.250 nan 0.000 0.426 363 L N 2.987 124.081 121.223 -0.215 0.000 2.356 363 L HA 0.526 4.867 4.340 0.002 0.000 0.277 363 L C -0.668 175.878 176.870 -0.540 0.000 0.996 363 L CA -0.583 53.944 54.840 -0.522 0.000 0.822 363 L CB 2.080 43.638 42.059 -0.836 0.000 1.256 363 L HN 0.663 nan 8.230 nan 0.000 0.413 364 S N 0.243 115.707 115.700 -0.393 0.000 2.732 364 S HA 0.642 5.113 4.470 0.002 0.000 0.293 364 S C -0.595 173.969 174.600 -0.059 0.000 1.159 364 S CA -0.755 57.336 58.200 -0.182 0.000 0.847 364 S CB 2.122 65.176 63.200 -0.244 0.000 1.169 364 S HN 0.579 nan 8.310 nan 0.000 0.501 365 S N 0.199 115.888 115.700 -0.018 0.000 2.359 365 S HA 0.311 4.782 4.470 0.002 0.000 0.148 365 S C -0.854 173.706 174.600 -0.067 0.000 1.610 365 S CA -0.821 57.352 58.200 -0.044 0.000 1.274 365 S CB -0.306 62.896 63.200 0.003 0.000 1.380 365 S HN 0.587 nan 8.310 nan 0.000 0.380 366 W N 3.011 124.115 121.300 -0.326 0.000 2.253 366 W HA 0.213 4.874 4.660 0.002 0.000 0.348 366 W C -1.615 174.565 176.519 -0.565 0.000 1.267 366 W CA -1.884 54.931 57.345 -0.885 0.000 1.298 366 W CB -0.586 28.178 29.460 -1.160 0.000 1.181 366 W HN 0.270 nan 8.180 nan 0.000 0.585 367 P HA -0.118 nan 4.420 nan 0.000 0.221 367 P C 0.019 177.405 177.300 0.143 0.000 1.150 367 P CA 1.499 64.520 63.100 -0.130 0.000 0.800 367 P CB 0.454 32.077 31.700 -0.128 0.000 0.787 368 D N -0.393 120.114 120.400 0.179 0.000 2.198 368 D HA 0.200 4.841 4.640 0.002 0.000 0.247 368 D C -1.875 174.421 176.300 -0.006 0.000 1.010 368 D CA -1.852 52.283 54.000 0.225 0.000 0.880 368 D CB 1.864 42.892 40.800 0.381 0.000 1.209 368 D HN -0.110 nan 8.370 nan 0.000 0.451 369 P HA -0.093 nan 4.420 nan 0.000 0.215 369 P C -0.450 176.929 177.300 0.132 0.000 1.157 369 P CA 1.161 63.916 63.100 -0.574 0.000 0.863 369 P CB 0.264 31.880 31.700 -0.140 0.000 0.787 370 Y N -1.470 118.971 120.300 0.236 0.000 2.314 370 Y HA 0.343 4.894 4.550 0.002 0.000 0.317 370 Y C -0.744 175.333 175.900 0.295 0.000 1.234 370 Y CA -0.536 57.799 58.100 0.392 0.000 1.111 370 Y CB 1.097 39.752 38.460 0.324 0.000 1.283 370 Y HN -0.213 nan 8.280 nan 0.000 0.418 371 T N 0.331 114.963 114.554 0.129 0.000 2.883 371 T HA 0.263 4.614 4.350 0.002 0.000 0.296 371 T C 0.525 175.192 174.700 -0.055 0.000 1.117 371 T CA -0.738 61.401 62.100 0.064 0.000 1.006 371 T CB 1.990 70.844 68.868 -0.023 0.000 1.191 371 T HN 0.602 nan 8.240 nan 0.000 0.508 372 E N 0.338 120.523 120.200 -0.024 0.000 2.118 372 E HA -0.261 4.090 4.350 0.002 0.000 0.195 372 E C 1.532 178.075 176.600 -0.095 0.000 0.992 372 E CA 1.881 58.259 56.400 -0.036 0.000 0.804 372 E CB -0.362 29.318 29.700 -0.033 0.000 0.741 372 E HN 0.899 nan 8.360 nan 0.000 0.458 373 H N -0.951 117.926 119.070 -0.320 0.000 2.290 373 H HA -0.152 4.405 4.556 0.002 0.000 0.298 373 H C 1.898 176.891 175.328 -0.559 0.000 1.087 373 H CA 2.708 58.458 56.048 -0.495 0.000 1.291 373 H CB -0.681 28.633 29.762 -0.746 0.000 1.369 373 H HN 0.183 nan 8.280 nan 0.000 0.492 374 W N -0.615 120.317 121.300 -0.614 0.000 2.388 374 W HA -0.104 4.557 4.660 0.002 0.000 0.294 374 W C 2.693 178.684 176.519 -0.879 0.000 1.212 374 W CA 0.918 57.572 57.345 -1.152 0.000 1.271 374 W CB -0.440 27.716 29.460 -2.174 0.000 1.126 374 W HN 0.399 nan 8.180 nan 0.000 0.535 375 H N 0.762 119.535 119.070 -0.495 0.000 2.319 375 H HA -0.212 4.345 4.556 0.002 0.000 0.297 375 H C 2.409 177.666 175.328 -0.118 0.000 1.097 375 H CA 2.617 58.547 56.048 -0.196 0.000 1.285 375 H CB -0.184 29.539 29.762 -0.064 0.000 1.368 375 H HN -0.045 nan 8.280 nan 0.000 0.495 376 R N 0.047 120.481 120.500 -0.110 0.000 2.073 376 R HA -0.104 4.237 4.340 0.002 0.000 0.234 376 R C 2.354 178.521 176.300 -0.221 0.000 1.134 376 R CA 1.754 57.752 56.100 -0.171 0.000 0.952 376 R CB -0.269 29.938 30.300 -0.156 0.000 0.850 376 R HN 0.418 nan 8.270 nan 0.000 0.433 377 L N 0.398 121.456 121.223 -0.276 0.000 2.017 377 L HA -0.189 4.153 4.340 0.002 0.000 0.208 377 L C 2.807 179.598 176.870 -0.131 0.000 1.073 377 L CA 1.551 56.258 54.840 -0.221 0.000 0.745 377 L CB -0.500 41.402 42.059 -0.261 0.000 0.894 377 L HN 0.319 nan 8.230 nan 0.000 0.432 378 Q N 0.380 120.136 119.800 -0.074 0.000 2.050 378 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 378 Q C 2.024 177.973 176.000 -0.085 0.000 0.980 378 Q CA 1.764 57.588 55.803 0.035 0.000 0.840 378 Q CB -0.012 28.901 28.738 0.292 0.000 0.898 378 Q HN 0.368 nan 8.270 nan 0.000 0.424 379 N N -0.549 118.070 118.700 -0.134 0.000 2.244 379 N HA -0.080 4.661 4.740 0.002 0.000 0.183 379 N C 1.595 177.006 175.510 -0.166 0.000 1.016 379 N CA 1.179 54.138 53.050 -0.150 0.000 0.866 379 N CB -0.455 37.960 38.487 -0.120 0.000 0.980 379 N HN 0.448 nan 8.380 nan 0.000 0.430 380 G N 1.372 110.080 108.800 -0.153 0.000 2.418 380 G HA2 -0.168 3.793 3.960 0.002 0.000 0.217 380 G HA3 -0.168 3.793 3.960 0.002 0.000 0.217 380 G C 1.670 176.486 174.900 -0.140 0.000 1.158 380 G CA 0.333 45.355 45.100 -0.129 0.000 0.771 380 G HN 0.254 nan 8.290 nan 0.000 0.545 381 I N 0.251 120.724 120.570 -0.162 0.000 2.202 381 I HA -0.089 4.082 4.170 0.002 0.000 0.242 381 I C 2.671 178.662 176.117 -0.209 0.000 1.091 381 I CA 0.637 61.834 61.300 -0.172 0.000 1.368 381 I CB -0.184 37.711 38.000 -0.175 0.000 1.058 381 I HN 0.121 nan 8.210 nan 0.000 0.410 382 L N 0.098 121.107 121.223 -0.356 0.000 2.093 382 L HA -0.198 4.143 4.340 0.002 0.000 0.208 382 L C 2.479 179.034 176.870 -0.525 0.000 1.085 382 L CA 1.198 55.630 54.840 -0.680 0.000 0.755 382 L CB -0.468 40.728 42.059 -1.438 0.000 0.904 382 L HN 0.266 nan 8.230 nan 0.000 0.435 383 L N -0.660 120.388 121.223 -0.292 0.000 2.072 383 L HA -0.178 4.163 4.340 0.002 0.000 0.205 383 L C 2.210 179.085 176.870 0.009 0.000 1.079 383 L CA 0.946 55.787 54.840 0.001 0.000 0.752 383 L CB -0.547 41.559 42.059 0.078 0.000 0.906 383 L HN 0.230 nan 8.230 nan 0.000 0.436 384 D N -0.257 120.118 120.400 -0.042 0.000 2.117 384 D HA -0.148 4.493 4.640 0.002 0.000 0.197 384 D C 2.322 178.620 176.300 -0.003 0.000 0.987 384 D CA 1.065 55.051 54.000 -0.023 0.000 0.829 384 D CB -0.171 40.598 40.800 -0.052 0.000 0.961 384 D HN 0.060 nan 8.370 nan 0.000 0.460 385 V N 0.659 120.566 119.914 -0.012 0.000 2.358 385 V HA -0.206 3.915 4.120 0.002 0.000 0.246 385 V C 2.465 178.598 176.094 0.065 0.000 1.047 385 V CA 1.570 63.894 62.300 0.041 0.000 1.035 385 V CB -0.521 31.361 31.823 0.098 0.000 0.658 385 V HN 0.138 nan 8.190 nan 0.000 0.452 386 S N -0.262 115.487 115.700 0.082 0.000 2.359 386 S HA -0.232 4.240 4.470 0.002 0.000 0.224 386 S C 2.095 176.762 174.600 0.112 0.000 1.035 386 S CA 1.653 59.947 58.200 0.157 0.000 1.018 386 S CB -0.351 63.028 63.200 0.298 0.000 0.876 386 S HN 0.529 nan 8.310 nan 0.000 0.448 387 R N 1.028 121.582 120.500 0.090 0.000 2.115 387 R HA 0.042 4.383 4.340 0.002 0.000 0.230 387 R C 2.454 178.784 176.300 0.049 0.000 1.111 387 R CA 1.071 57.211 56.100 0.066 0.000 0.976 387 R CB -0.441 29.891 30.300 0.054 0.000 0.870 387 R HN 0.407 nan 8.270 nan 0.000 0.445 388 A N 0.891 123.738 122.820 0.044 0.000 2.125 388 A HA -0.069 4.252 4.320 0.002 0.000 0.219 388 A C 1.922 179.531 177.584 0.041 0.000 1.156 388 A CA 0.961 53.020 52.037 0.036 0.000 0.671 388 A CB -0.276 18.744 19.000 0.033 0.000 0.794 388 A HN 0.192 nan 8.150 nan 0.000 0.459 389 L N -0.421 120.833 121.223 0.052 0.000 2.558 389 L HA 0.055 4.396 4.340 0.002 0.000 0.225 389 L C -0.175 176.721 176.870 0.042 0.000 1.128 389 L CA -0.332 54.537 54.840 0.049 0.000 0.868 389 L CB -0.291 41.805 42.059 0.060 0.000 1.006 389 L HN 0.155 nan 8.230 nan 0.000 0.454 390 D N 1.465 121.890 120.400 0.042 0.000 2.399 390 D HA 0.203 4.844 4.640 0.002 0.000 0.241 390 D C 0.417 176.734 176.300 0.027 0.000 1.133 390 D CA 0.197 54.218 54.000 0.035 0.000 0.890 390 D CB 1.137 41.958 40.800 0.035 0.000 1.201 390 D HN 0.066 nan 8.370 nan 0.000 0.432 391 A N 1.591 124.425 122.820 0.023 0.000 2.498 391 A HA 0.350 4.671 4.320 0.002 0.000 0.239 391 A C 0.143 177.738 177.584 0.017 0.000 1.068 391 A CA -0.098 51.950 52.037 0.019 0.000 0.766 391 A CB 0.569 19.579 19.000 0.016 0.000 1.003 391 A HN 0.358 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.923 119.914 0.015 0.000 2.409 392 V HA 0.000 4.121 4.120 0.002 0.000 0.244 392 V CA 0.000 62.308 62.300 0.013 0.000 1.235 392 V CB 0.000 31.831 31.823 0.014 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556