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 1fxo_1_D DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.605 176.600 0.008 0.000 0.988 2 K CA 0.000 56.288 56.287 0.002 0.000 0.838 2 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 3 R N 3.558 124.072 120.500 0.023 0.000 2.534 3 R HA 0.467 4.807 4.340 -0.000 0.000 0.301 3 R C -0.846 175.466 176.300 0.019 0.000 0.961 3 R CA -0.824 55.300 56.100 0.041 0.000 0.871 3 R CB 1.175 31.532 30.300 0.096 0.000 1.170 3 R HN 0.553 nan 8.270 nan 0.000 0.446 4 K N 1.649 122.056 120.400 0.011 0.000 2.138 4 K HA 0.399 4.719 4.320 -0.000 0.000 0.263 4 K C -0.179 176.512 176.600 0.152 0.000 0.965 4 K CA -0.688 55.614 56.287 0.025 0.000 0.868 4 K CB 2.077 34.464 32.500 -0.189 0.000 1.083 4 K HN 0.740 nan 8.250 nan 0.000 0.443 5 G N 1.922 110.847 108.800 0.209 0.000 2.441 5 G HA2 0.683 4.643 3.960 -0.000 0.000 0.334 5 G HA3 0.683 4.643 3.960 -0.000 0.000 0.334 5 G C -0.668 174.306 174.900 0.123 0.000 1.161 5 G CA -0.688 44.497 45.100 0.141 0.000 0.935 5 G HN 0.473 nan 8.290 nan 0.000 0.488 6 I N 0.606 121.186 120.570 0.016 0.000 2.533 6 I HA 0.363 4.532 4.170 -0.000 0.000 0.290 6 I C -0.757 175.308 176.117 -0.087 0.000 1.056 6 I CA -0.641 60.596 61.300 -0.105 0.000 1.057 6 I CB 2.501 40.400 38.000 -0.170 0.000 1.240 6 I HN 0.188 nan 8.210 nan 0.000 0.423 7 I N 6.396 126.887 120.570 -0.132 0.000 2.355 7 I HA 0.245 4.414 4.170 -0.000 0.000 0.288 7 I C -0.722 175.319 176.117 -0.127 0.000 0.999 7 I CA -0.714 60.531 61.300 -0.092 0.000 1.163 7 I CB 1.726 39.665 38.000 -0.102 0.000 1.316 7 I HN 0.302 nan 8.210 nan 0.000 0.454 8 L N 7.590 128.777 121.223 -0.061 0.000 2.282 8 L HA 0.542 4.882 4.340 -0.000 0.000 0.287 8 L C 0.381 177.235 176.870 -0.027 0.000 1.075 8 L CA 0.113 54.920 54.840 -0.055 0.000 0.839 8 L CB 0.726 42.776 42.059 -0.015 0.000 1.219 8 L HN 0.685 nan 8.230 nan 0.000 0.434 9 A N 4.041 126.815 122.820 -0.078 0.000 3.105 9 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 9 A C 0.463 178.082 177.584 0.058 0.000 0.977 9 A CA 0.146 52.152 52.037 -0.051 0.000 1.020 9 A CB -0.271 18.555 19.000 -0.289 0.000 1.098 9 A HN 0.770 nan 8.150 nan 0.000 0.497 10 G N -0.295 108.546 108.800 0.068 0.000 3.414 10 G HA2 0.741 4.701 3.960 -0.000 0.000 0.189 10 G HA3 0.741 4.701 3.960 -0.000 0.000 0.189 10 G C 0.574 175.526 174.900 0.087 0.000 1.329 10 G CA -0.242 44.916 45.100 0.096 0.000 0.851 10 G HN 1.869 nan 8.290 nan 0.000 0.671 11 G N -1.466 107.372 108.800 0.064 0.000 2.663 11 G HA2 0.316 4.276 3.960 -0.000 0.000 0.686 11 G HA3 0.316 4.276 3.960 -0.000 0.000 0.686 11 G C 0.038 174.961 174.900 0.038 0.000 1.246 11 G CA 0.322 45.451 45.100 0.048 0.000 0.795 11 G HN 1.625 nan 8.290 nan 0.000 0.627 12 S N -0.241 115.468 115.700 0.015 0.000 2.549 12 S HA 0.494 4.964 4.470 -0.000 0.000 0.286 12 S C 1.665 176.243 174.600 -0.037 0.000 1.314 12 S CA 1.124 59.319 58.200 -0.008 0.000 1.062 12 S CB 0.756 63.941 63.200 -0.025 0.000 0.865 12 S HN 2.115 nan 8.310 nan 0.000 0.498 13 G N 3.137 111.901 108.800 -0.060 0.000 3.020 13 G HA2 0.044 4.004 3.960 -0.000 0.000 0.217 13 G HA3 0.044 4.004 3.960 -0.000 0.000 0.217 13 G C 1.174 175.799 174.900 -0.459 0.000 1.144 13 G CA 0.326 45.346 45.100 -0.132 0.000 0.760 13 G HN 0.733 nan 8.290 nan 0.000 0.548 14 T N 0.851 115.157 114.554 -0.414 0.000 2.649 14 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 14 T C 2.351 176.823 174.700 -0.379 0.000 1.036 14 T CA 1.773 63.584 62.100 -0.481 0.000 1.157 14 T CB -0.157 68.602 68.868 -0.182 0.000 0.861 14 T HN 0.463 nan 8.240 nan 0.000 0.445 15 R N 0.703 121.061 120.500 -0.235 0.000 2.096 15 R HA -0.073 4.267 4.340 -0.000 0.000 0.240 15 R C 2.146 178.337 176.300 -0.182 0.000 1.139 15 R CA 1.555 57.551 56.100 -0.174 0.000 0.952 15 R CB -0.474 29.733 30.300 -0.154 0.000 0.854 15 R HN 0.394 nan 8.270 nan 0.000 0.436 16 L N 0.300 121.405 121.223 -0.196 0.000 2.610 16 L HA 0.052 4.392 4.340 -0.000 0.000 0.232 16 L C 0.545 177.503 176.870 0.147 0.000 1.149 16 L CA -0.054 54.733 54.840 -0.088 0.000 0.872 16 L CB -0.398 41.636 42.059 -0.041 0.000 0.992 16 L HN 0.313 nan 8.230 nan 0.000 0.447 17 H N 0.954 120.067 119.070 0.070 0.000 2.690 17 H HA 0.057 4.612 4.556 -0.000 0.000 0.365 17 H C -1.161 174.224 175.328 0.095 0.000 1.142 17 H CA -1.563 54.527 56.048 0.071 0.000 1.417 17 H CB 1.003 30.788 29.762 0.038 0.000 1.446 17 H HN -0.058 nan 8.280 nan 0.000 0.599 18 P HA 0.055 nan 4.420 nan 0.000 0.255 18 P C 0.949 178.315 177.300 0.110 0.000 1.248 18 P CA 0.407 63.598 63.100 0.151 0.000 0.807 18 P CB 0.217 31.954 31.700 0.061 0.000 1.150 19 A N 1.392 124.293 122.820 0.136 0.000 1.927 19 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 19 A C 1.914 179.557 177.584 0.097 0.000 1.185 19 A CA 2.521 54.607 52.037 0.082 0.000 0.639 19 A CB -1.699 17.362 19.000 0.103 0.000 0.820 19 A HN 0.396 nan 8.150 nan 0.000 0.451 20 T N -2.874 111.783 114.554 0.171 0.000 3.243 20 T HA 0.512 4.862 4.350 -0.000 0.000 0.264 20 T C 1.224 175.980 174.700 0.093 0.000 1.000 20 T CA -0.064 62.121 62.100 0.141 0.000 0.901 20 T CB -0.090 68.887 68.868 0.182 0.000 1.083 20 T HN 0.252 nan 8.240 nan 0.000 0.559 21 L N 0.706 121.922 121.223 -0.012 0.000 1.955 21 L HA 0.010 4.350 4.340 -0.000 0.000 0.213 21 L C 2.639 179.446 176.870 -0.105 0.000 1.072 21 L CA 1.797 56.533 54.840 -0.174 0.000 0.755 21 L CB -0.462 41.478 42.059 -0.198 0.000 0.888 21 L HN 0.491 nan 8.230 nan 0.000 0.432 22 A N -0.743 122.037 122.820 -0.067 0.000 2.462 22 A HA 0.380 4.700 4.320 -0.000 0.000 0.261 22 A C 0.418 177.976 177.584 -0.044 0.000 1.323 22 A CA -0.286 51.718 52.037 -0.055 0.000 0.913 22 A CB -0.547 18.423 19.000 -0.051 0.000 1.028 22 A HN 0.448 nan 8.150 nan 0.000 0.511 23 I N -5.830 114.721 120.570 -0.032 0.000 3.352 23 I HA 0.676 4.845 4.170 -0.000 0.000 0.316 23 I C -0.428 175.674 176.117 -0.024 0.000 1.214 23 I CA -1.080 60.198 61.300 -0.037 0.000 0.934 23 I CB 1.731 39.714 38.000 -0.029 0.000 1.310 23 I HN -0.149 nan 8.210 nan 0.000 0.475 24 S N 0.333 116.002 115.700 -0.053 0.000 2.475 24 S HA 0.346 4.815 4.470 -0.000 0.000 0.298 24 S C 0.750 175.362 174.600 0.020 0.000 1.119 24 S CA -0.635 57.545 58.200 -0.034 0.000 1.085 24 S CB 1.343 64.448 63.200 -0.159 0.000 1.028 24 S HN 0.820 nan 8.310 nan 0.000 0.489 25 K N 3.266 123.712 120.400 0.077 0.000 2.097 25 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 25 K C 1.001 177.677 176.600 0.127 0.000 1.050 25 K CA 1.309 57.654 56.287 0.097 0.000 0.938 25 K CB -0.232 32.325 32.500 0.096 0.000 0.718 25 K HN 0.529 nan 8.250 nan 0.000 0.442 26 Q N 0.625 120.548 119.800 0.206 0.000 2.365 26 Q HA 0.205 4.545 4.340 -0.000 0.000 0.203 26 Q C 1.117 177.292 176.000 0.291 0.000 0.929 26 Q CA 0.280 56.255 55.803 0.286 0.000 0.948 26 Q CB 0.297 29.273 28.738 0.397 0.000 1.043 26 Q HN 0.307 nan 8.270 nan 0.000 0.505 27 L N -0.669 120.631 121.223 0.129 0.000 2.640 27 L HA 0.206 4.546 4.340 -0.000 0.000 0.230 27 L C 0.148 177.038 176.870 0.032 0.000 1.123 27 L CA -0.124 54.744 54.840 0.047 0.000 0.900 27 L CB 0.112 42.102 42.059 -0.115 0.000 1.146 27 L HN 0.143 nan 8.230 nan 0.000 0.484 28 L N 2.128 123.382 121.223 0.053 0.000 2.483 28 L HA 0.105 4.445 4.340 -0.000 0.000 0.276 28 L C -1.916 174.979 176.870 0.043 0.000 1.213 28 L CA -1.602 53.261 54.840 0.039 0.000 0.843 28 L CB 0.035 42.126 42.059 0.054 0.000 1.107 28 L HN -0.149 nan 8.230 nan 0.000 0.487 29 P HA 0.059 nan 4.420 nan 0.000 0.275 29 P C -0.726 176.615 177.300 0.069 0.000 1.227 29 P CA -0.191 62.929 63.100 0.034 0.000 0.781 29 P CB 0.875 32.571 31.700 -0.007 0.000 0.906 30 V N 5.880 125.868 119.914 0.123 0.000 2.288 30 V HA 0.106 4.226 4.120 -0.000 0.000 0.266 30 V C 0.717 176.946 176.094 0.225 0.000 1.048 30 V CA 0.181 62.526 62.300 0.074 0.000 0.842 30 V CB -1.023 30.684 31.823 -0.192 0.000 1.064 30 V HN 0.679 nan 8.190 nan 0.000 0.472 31 Y N 4.506 124.827 120.300 0.035 0.000 2.749 31 Y HA -0.420 4.130 4.550 -0.000 0.000 0.477 31 Y C 1.343 177.272 175.900 0.048 0.000 1.115 31 Y CA 2.522 60.647 58.100 0.042 0.000 2.869 31 Y CB -0.929 37.561 38.460 0.050 0.000 1.077 31 Y HN 0.738 nan 8.280 nan 0.000 0.595 32 D N 0.807 121.103 120.400 -0.174 0.000 2.525 32 D HA 0.221 4.861 4.640 -0.000 0.000 0.231 32 D C -0.127 176.098 176.300 -0.124 0.000 1.216 32 D CA 0.546 54.346 54.000 -0.332 0.000 0.813 32 D CB 0.208 40.691 40.800 -0.529 0.000 1.108 32 D HN 0.709 nan 8.370 nan 0.000 0.524 33 K N -0.782 119.597 120.400 -0.034 0.000 2.575 33 K HA 0.552 4.871 4.320 -0.000 0.000 0.279 33 K C -3.462 173.049 176.600 -0.149 0.000 0.969 33 K CA -1.890 54.276 56.287 -0.203 0.000 0.868 33 K CB 1.538 33.915 32.500 -0.205 0.000 1.457 33 K HN -0.355 nan 8.250 nan 0.000 0.426 34 P HA -0.031 nan 4.420 nan 0.000 0.266 34 P C 0.573 177.951 177.300 0.129 0.000 1.195 34 P CA -0.323 62.689 63.100 -0.147 0.000 0.768 34 P CB 0.418 31.978 31.700 -0.234 0.000 0.838 35 M N 4.797 124.540 119.600 0.238 0.000 2.089 35 M HA -0.191 4.288 4.480 -0.000 0.000 0.257 35 M C 1.589 178.166 176.300 0.462 0.000 1.071 35 M CA 1.915 57.428 55.300 0.355 0.000 1.096 35 M CB -1.210 31.517 32.600 0.212 0.000 1.330 35 M HN 0.369 nan 8.290 nan 0.000 0.403 36 I N -0.540 120.279 120.570 0.414 0.000 2.530 36 I HA -0.310 3.860 4.170 -0.000 0.000 0.257 36 I C 1.368 177.768 176.117 0.471 0.000 1.179 36 I CA 1.059 62.608 61.300 0.414 0.000 1.440 36 I CB -0.242 38.023 38.000 0.442 0.000 1.087 36 I HN 0.320 nan 8.210 nan 0.000 0.440 37 Y N 0.212 120.649 120.300 0.228 0.000 2.256 37 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 37 Y C 2.156 178.068 175.900 0.020 0.000 1.155 37 Y CA 1.268 59.415 58.100 0.078 0.000 1.203 37 Y CB -1.196 37.213 38.460 -0.085 0.000 0.980 37 Y HN 0.258 nan 8.280 nan 0.000 0.530 38 Y N 0.009 120.511 120.300 0.336 0.000 2.092 38 Y HA -0.141 4.409 4.550 -0.000 0.000 0.282 38 Y C 0.036 176.096 175.900 0.268 0.000 1.126 38 Y CA 1.472 59.736 58.100 0.274 0.000 1.111 38 Y CB -2.065 36.529 38.460 0.224 0.000 0.987 38 Y HN 0.043 nan 8.280 nan 0.000 0.489 39 P HA -0.164 nan 4.420 nan 0.000 0.218 39 P C 1.807 179.247 177.300 0.232 0.000 1.149 39 P CA 1.224 64.513 63.100 0.315 0.000 0.817 39 P CB -0.021 31.835 31.700 0.260 0.000 0.785 40 L N 0.573 121.923 121.223 0.211 0.000 2.012 40 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 40 L C 2.380 179.342 176.870 0.153 0.000 1.073 40 L CA 2.113 57.050 54.840 0.161 0.000 0.748 40 L CB -1.573 40.584 42.059 0.165 0.000 0.891 40 L HN -0.145 nan 8.230 nan 0.000 0.431 41 S N -1.144 114.644 115.700 0.147 0.000 2.399 41 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 41 S C 1.779 176.485 174.600 0.177 0.000 1.022 41 S CA 1.554 59.830 58.200 0.126 0.000 0.983 41 S CB -0.514 62.746 63.200 0.100 0.000 0.803 41 S HN 0.628 nan 8.310 nan 0.000 0.480 42 T N 2.802 117.497 114.554 0.235 0.000 2.708 42 T HA 0.034 4.383 4.350 -0.000 0.000 0.266 42 T C 1.731 176.492 174.700 0.102 0.000 1.037 42 T CA 0.965 63.203 62.100 0.229 0.000 1.146 42 T CB -0.389 68.665 68.868 0.309 0.000 0.865 42 T HN 0.277 nan 8.240 nan 0.000 0.435 43 L N 0.192 121.481 121.223 0.109 0.000 2.083 43 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 43 L C 2.673 179.637 176.870 0.156 0.000 1.083 43 L CA 1.270 56.164 54.840 0.089 0.000 0.752 43 L CB -0.568 41.537 42.059 0.077 0.000 0.899 43 L HN 0.329 nan 8.230 nan 0.000 0.433 44 M N -0.562 119.156 119.600 0.197 0.000 2.117 44 M HA -0.223 4.257 4.480 -0.000 0.000 0.262 44 M C 2.234 178.632 176.300 0.163 0.000 1.065 44 M CA 1.753 57.237 55.300 0.306 0.000 1.114 44 M CB -0.340 32.418 32.600 0.263 0.000 1.361 44 M HN 0.207 nan 8.290 nan 0.000 0.408 45 L N -0.320 120.941 121.223 0.063 0.000 2.275 45 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 45 L C 2.402 179.260 176.870 -0.020 0.000 1.119 45 L CA 0.518 55.347 54.840 -0.017 0.000 0.790 45 L CB -0.557 41.498 42.059 -0.008 0.000 0.919 45 L HN 0.269 nan 8.230 nan 0.000 0.443 46 A N -0.525 122.314 122.820 0.031 0.000 2.238 46 A HA 0.299 4.619 4.320 -0.000 0.000 0.208 46 A C 1.698 179.373 177.584 0.151 0.000 1.177 46 A CA 0.669 52.751 52.037 0.075 0.000 0.804 46 A CB -0.446 18.650 19.000 0.160 0.000 0.823 46 A HN 0.487 nan 8.150 nan 0.000 0.482 47 G N -0.869 108.060 108.800 0.215 0.000 2.136 47 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.242 47 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.242 47 G C 0.007 175.124 174.900 0.361 0.000 0.989 47 G CA 0.257 45.567 45.100 0.350 0.000 0.682 47 G HN 0.480 nan 8.290 nan 0.000 0.522 48 I N 0.183 120.932 120.570 0.298 0.000 2.315 48 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 48 I C 1.503 177.630 176.117 0.017 0.000 1.006 48 I CA -0.773 60.604 61.300 0.128 0.000 1.265 48 I CB 1.228 39.289 38.000 0.103 0.000 1.387 48 I HN 0.068 nan 8.210 nan 0.000 0.475 49 R N 3.319 123.681 120.500 -0.230 0.000 2.225 49 R HA 0.113 4.452 4.340 -0.000 0.000 0.194 49 R C 0.349 176.546 176.300 -0.172 0.000 0.957 49 R CA 0.145 55.985 56.100 -0.433 0.000 1.042 49 R CB 0.406 30.238 30.300 -0.780 0.000 1.004 49 R HN 0.543 nan 8.270 nan 0.000 0.509 50 E N 1.728 121.884 120.200 -0.074 0.000 2.092 50 E HA 0.343 4.692 4.350 -0.000 0.000 0.271 50 E C -1.108 175.619 176.600 0.211 0.000 0.919 50 E CA -0.222 56.202 56.400 0.040 0.000 0.760 50 E CB 0.676 30.368 29.700 -0.013 0.000 1.106 50 E HN 0.051 nan 8.360 nan 0.000 0.408 51 I N 4.720 125.392 120.570 0.171 0.000 2.619 51 I HA 0.283 4.452 4.170 -0.000 0.000 0.292 51 I C -1.192 174.750 176.117 -0.291 0.000 1.100 51 I CA -1.187 60.141 61.300 0.045 0.000 1.043 51 I CB 1.912 39.896 38.000 -0.026 0.000 1.239 51 I HN 0.484 nan 8.210 nan 0.000 0.420 52 L N 7.499 128.344 121.223 -0.630 0.000 2.287 52 L HA 0.602 4.942 4.340 -0.000 0.000 0.287 52 L C -0.970 175.572 176.870 -0.547 0.000 1.022 52 L CA 0.017 54.312 54.840 -0.908 0.000 0.814 52 L CB 1.060 42.175 42.059 -1.574 0.000 1.217 52 L HN 0.398 nan 8.230 nan 0.000 0.420 53 I N 6.605 126.851 120.570 -0.540 0.000 2.312 53 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 53 I C -0.480 175.491 176.117 -0.244 0.000 1.008 53 I CA -0.239 60.824 61.300 -0.394 0.000 1.226 53 I CB 1.113 38.852 38.000 -0.434 0.000 1.371 53 I HN 0.513 nan 8.210 nan 0.000 0.468 54 I N 5.687 126.134 120.570 -0.205 0.000 2.378 54 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 54 I C 0.124 176.200 176.117 -0.069 0.000 0.992 54 I CA 0.068 61.300 61.300 -0.114 0.000 1.154 54 I CB 1.819 39.740 38.000 -0.131 0.000 1.315 54 I HN 0.549 nan 8.210 nan 0.000 0.448 55 S N 3.174 118.893 115.700 0.031 0.000 2.819 55 S HA 0.565 5.035 4.470 -0.000 0.000 0.299 55 S C -0.315 174.352 174.600 0.112 0.000 1.192 55 S CA -0.428 57.836 58.200 0.106 0.000 0.847 55 S CB 1.597 64.966 63.200 0.282 0.000 1.224 55 S HN 0.704 nan 8.310 nan 0.000 0.537 56 T N 0.560 115.196 114.554 0.137 0.000 2.828 56 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 56 T C -2.073 172.679 174.700 0.087 0.000 1.019 56 T CA -0.984 61.173 62.100 0.096 0.000 1.031 56 T CB 0.276 69.200 68.868 0.094 0.000 1.001 56 T HN 0.334 nan 8.240 nan 0.000 0.531 57 P HA -0.097 nan 4.420 nan 0.000 0.216 57 P C 1.676 178.999 177.300 0.038 0.000 1.150 57 P CA 1.245 64.371 63.100 0.044 0.000 0.843 57 P CB 0.056 31.775 31.700 0.031 0.000 0.787 58 Q N -1.145 118.678 119.800 0.039 0.000 2.137 58 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 58 Q C 1.289 177.297 176.000 0.012 0.000 0.960 58 Q CA 1.098 56.913 55.803 0.020 0.000 0.847 58 Q CB -0.260 28.489 28.738 0.019 0.000 0.915 58 Q HN 0.262 nan 8.270 nan 0.000 0.448 59 D N -0.559 119.873 120.400 0.052 0.000 2.305 59 D HA -0.022 4.618 4.640 -0.000 0.000 0.206 59 D C 1.638 178.009 176.300 0.119 0.000 0.974 59 D CA 0.683 54.700 54.000 0.029 0.000 0.871 59 D CB 0.010 40.879 40.800 0.115 0.000 0.947 59 D HN 0.074 nan 8.370 nan 0.000 0.516 60 T N 1.554 116.228 114.554 0.200 0.000 2.665 60 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 60 T C -0.879 173.874 174.700 0.087 0.000 1.035 60 T CA 1.340 63.590 62.100 0.249 0.000 1.151 60 T CB -1.145 67.822 68.868 0.166 0.000 0.862 60 T HN 0.186 nan 8.240 nan 0.000 0.438 61 P HA -0.025 nan 4.420 nan 0.000 0.219 61 P C 1.412 178.642 177.300 -0.117 0.000 1.146 61 P CA 1.087 64.132 63.100 -0.091 0.000 0.808 61 P CB -0.066 31.594 31.700 -0.067 0.000 0.779 62 R N -1.578 118.843 120.500 -0.132 0.000 2.075 62 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 62 R C 2.270 178.433 176.300 -0.228 0.000 1.126 62 R CA 1.217 57.186 56.100 -0.219 0.000 0.963 62 R CB -0.903 29.203 30.300 -0.323 0.000 0.858 62 R HN 0.223 nan 8.270 nan 0.000 0.435 63 F N 1.531 121.489 119.950 0.014 0.000 2.095 63 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 63 F C 2.682 178.480 175.800 -0.004 0.000 1.104 63 F CA 1.349 59.405 58.000 0.094 0.000 1.232 63 F CB -0.250 38.890 39.000 0.233 0.000 0.987 63 F HN 0.036 nan 8.300 nan 0.000 0.475 64 Q N -0.131 119.573 119.800 -0.160 0.000 2.124 64 Q HA -0.282 4.058 4.340 -0.000 0.000 0.202 64 Q C 2.236 178.131 176.000 -0.176 0.000 0.977 64 Q CA 1.675 57.195 55.803 -0.471 0.000 0.850 64 Q CB -0.401 27.937 28.738 -0.665 0.000 0.901 64 Q HN 0.564 nan 8.270 nan 0.000 0.429 65 Q N 0.610 120.338 119.800 -0.121 0.000 2.119 65 Q HA -0.168 4.172 4.340 -0.000 0.000 0.201 65 Q C 2.074 178.053 176.000 -0.035 0.000 0.972 65 Q CA 0.827 56.582 55.803 -0.079 0.000 0.847 65 Q CB 0.031 28.721 28.738 -0.081 0.000 0.903 65 Q HN 0.319 nan 8.270 nan 0.000 0.433 66 L N 0.029 121.257 121.223 0.007 0.000 2.109 66 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 66 L C 1.622 178.534 176.870 0.071 0.000 1.086 66 L CA 1.584 56.464 54.840 0.067 0.000 0.760 66 L CB 0.053 42.193 42.059 0.135 0.000 0.910 66 L HN 0.288 nan 8.230 nan 0.000 0.437 67 L N -1.645 119.625 121.223 0.079 0.000 2.672 67 L HA 0.442 4.782 4.340 -0.000 0.000 0.236 67 L C 1.386 178.195 176.870 -0.101 0.000 1.092 67 L CA 0.155 54.981 54.840 -0.023 0.000 0.887 67 L CB -0.371 41.787 42.059 0.166 0.000 1.168 67 L HN 0.403 nan 8.230 nan 0.000 0.502 68 G N 2.195 110.986 108.800 -0.016 0.000 2.564 68 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.273 68 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.273 68 G C 0.269 175.219 174.900 0.083 0.000 1.242 68 G CA 0.463 45.547 45.100 -0.026 0.000 0.951 68 G HN 0.496 nan 8.290 nan 0.000 0.564 69 D N 0.495 120.910 120.400 0.025 0.000 2.340 69 D HA 0.374 5.014 4.640 -0.000 0.000 0.220 69 D C 1.883 178.179 176.300 -0.008 0.000 1.039 69 D CA 1.327 55.360 54.000 0.055 0.000 0.866 69 D CB -0.323 40.499 40.800 0.037 0.000 0.913 69 D HN 2.211 nan 8.370 nan 0.000 0.523 70 G N 0.341 109.086 108.800 -0.091 0.000 2.234 70 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.260 70 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.260 70 G C 1.337 176.199 174.900 -0.063 0.000 0.987 70 G CA 1.029 46.060 45.100 -0.115 0.000 0.625 70 G HN 0.701 nan 8.290 nan 0.000 0.532 71 S N 0.679 116.349 115.700 -0.051 0.000 2.419 71 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 71 S C 1.924 176.539 174.600 0.025 0.000 1.016 71 S CA 1.650 59.849 58.200 -0.002 0.000 0.974 71 S CB -0.317 62.881 63.200 -0.004 0.000 0.786 71 S HN 0.467 nan 8.310 nan 0.000 0.492 72 N N 0.574 119.243 118.700 -0.051 0.000 2.364 72 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 72 N C 0.231 175.902 175.510 0.267 0.000 1.022 72 N CA 1.000 54.061 53.050 0.017 0.000 0.883 72 N CB -0.341 38.063 38.487 -0.139 0.000 0.965 72 N HN 0.651 nan 8.380 nan 0.000 0.438 73 W N -0.203 121.148 121.300 0.086 0.000 2.966 73 W HA 0.480 5.140 4.660 -0.000 0.000 0.406 73 W C 1.065 177.687 176.519 0.172 0.000 1.027 73 W CA -0.431 56.987 57.345 0.122 0.000 1.930 73 W CB -0.845 28.675 29.460 0.101 0.000 1.144 73 W HN 0.048 nan 8.180 nan 0.000 0.626 74 G N 1.173 110.153 108.800 0.301 0.000 2.179 74 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 74 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 74 G C -0.021 174.908 174.900 0.048 0.000 1.010 74 G CA 0.277 45.495 45.100 0.197 0.000 0.736 74 G HN 0.207 nan 8.290 nan 0.000 0.513 75 L N -0.638 120.635 121.223 0.083 0.000 2.332 75 L HA 0.674 5.014 4.340 -0.000 0.000 0.269 75 L C -0.205 176.649 176.870 -0.028 0.000 1.016 75 L CA -1.053 53.783 54.840 -0.006 0.000 0.809 75 L CB 1.566 43.684 42.059 0.098 0.000 1.280 75 L HN 0.087 nan 8.230 nan 0.000 0.447 76 D N 1.764 122.135 120.400 -0.048 0.000 2.472 76 D HA 0.409 5.049 4.640 -0.000 0.000 0.234 76 D C -1.023 175.270 176.300 -0.012 0.000 1.088 76 D CA -0.204 53.785 54.000 -0.018 0.000 0.882 76 D CB 0.524 41.317 40.800 -0.011 0.000 1.037 76 D HN 0.244 nan 8.370 nan 0.000 0.520 77 L N 3.094 124.294 121.223 -0.039 0.000 2.289 77 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 77 L C 0.547 177.305 176.870 -0.186 0.000 1.049 77 L CA -0.664 54.081 54.840 -0.158 0.000 0.804 77 L CB 1.409 43.360 42.059 -0.180 0.000 1.195 77 L HN 0.265 nan 8.230 nan 0.000 0.428 78 Q N 2.014 121.599 119.800 -0.359 0.000 2.359 78 Q HA 0.602 4.942 4.340 -0.000 0.000 0.275 78 Q C -1.722 173.891 176.000 -0.644 0.000 1.082 78 Q CA -0.845 54.783 55.803 -0.291 0.000 0.849 78 Q CB 2.841 31.494 28.738 -0.142 0.000 1.377 78 Q HN 0.367 nan 8.270 nan 0.000 0.452 79 Y N -0.722 119.509 120.300 -0.115 0.000 2.512 79 Y HA 0.775 5.324 4.550 -0.000 0.000 0.348 79 Y C -0.485 175.359 175.900 -0.093 0.000 0.990 79 Y CA -0.806 57.234 58.100 -0.100 0.000 1.033 79 Y CB 2.446 40.887 38.460 -0.032 0.000 1.259 79 Y HN 0.721 nan 8.280 nan 0.000 0.461 80 A N 0.907 123.759 122.820 0.054 0.000 2.609 80 A HA 0.846 5.165 4.320 -0.000 0.000 0.291 80 A C -2.041 175.561 177.584 0.030 0.000 1.096 80 A CA -0.747 51.300 52.037 0.018 0.000 0.684 80 A CB 1.196 20.168 19.000 -0.048 0.000 1.282 80 A HN 0.437 nan 8.150 nan 0.000 0.412 81 V N 0.940 120.870 119.914 0.026 0.000 2.581 81 V HA 0.551 4.671 4.120 -0.000 0.000 0.303 81 V C -0.013 176.091 176.094 0.016 0.000 1.041 81 V CA -0.429 61.891 62.300 0.034 0.000 0.907 81 V CB 1.643 33.489 31.823 0.037 0.000 0.994 81 V HN 0.890 nan 8.190 nan 0.000 0.442 82 Q N 5.294 125.106 119.800 0.020 0.000 2.431 82 Q HA 0.338 4.677 4.340 -0.000 0.000 0.249 82 Q C -1.964 174.050 176.000 0.023 0.000 1.025 82 Q CA -1.750 54.061 55.803 0.013 0.000 0.835 82 Q CB 1.975 30.717 28.738 0.007 0.000 1.207 82 Q HN 0.465 nan 8.270 nan 0.000 0.490 83 P HA -0.123 nan 4.420 nan 0.000 0.217 83 P C -0.235 177.080 177.300 0.024 0.000 1.148 83 P CA 0.932 64.045 63.100 0.022 0.000 0.828 83 P CB 0.334 32.044 31.700 0.017 0.000 0.783 84 S N -2.150 113.562 115.700 0.021 0.000 2.533 84 S HA 0.456 4.926 4.470 -0.000 0.000 0.271 84 S C -2.982 171.631 174.600 0.021 0.000 1.143 84 S CA -1.734 56.479 58.200 0.022 0.000 0.891 84 S CB 1.251 64.462 63.200 0.018 0.000 1.105 84 S HN -0.244 nan 8.310 nan 0.000 0.468 85 P HA 0.328 nan 4.420 nan 0.000 0.237 85 P C -0.761 176.551 177.300 0.020 0.000 1.788 85 P CA -0.121 62.993 63.100 0.024 0.000 1.061 85 P CB -0.340 31.375 31.700 0.026 0.000 1.967 86 D N 1.181 121.592 120.400 0.018 0.000 2.427 86 D HA 0.340 4.980 4.640 -0.000 0.000 0.224 86 D C 1.065 177.376 176.300 0.019 0.000 1.157 86 D CA 0.372 54.383 54.000 0.017 0.000 0.828 86 D CB 0.353 41.161 40.800 0.014 0.000 0.974 86 D HN 0.374 nan 8.370 nan 0.000 0.498 87 G N -0.103 108.711 108.800 0.023 0.000 2.351 87 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.472 87 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.472 87 G C 0.338 175.256 174.900 0.029 0.000 1.570 87 G CA -0.906 44.211 45.100 0.029 0.000 0.921 87 G HN 0.106 nan 8.290 nan 0.000 0.674 88 L N 0.978 122.226 121.223 0.041 0.000 2.191 88 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 88 L C 3.022 179.912 176.870 0.034 0.000 1.103 88 L CA 1.875 56.739 54.840 0.041 0.000 0.769 88 L CB -0.322 41.775 42.059 0.064 0.000 0.908 88 L HN 0.805 nan 8.230 nan 0.000 0.438 89 A N -0.879 121.973 122.820 0.052 0.000 2.167 89 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 89 A C 2.146 179.790 177.584 0.100 0.000 1.151 89 A CA 0.606 52.710 52.037 0.112 0.000 0.735 89 A CB -0.248 18.791 19.000 0.066 0.000 0.802 89 A HN 0.435 nan 8.150 nan 0.000 0.467 90 Q N -0.498 119.321 119.800 0.031 0.000 2.291 90 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 90 Q C 2.345 178.314 176.000 -0.052 0.000 0.976 90 Q CA 0.994 56.801 55.803 0.005 0.000 0.875 90 Q CB -0.380 28.357 28.738 -0.002 0.000 0.927 90 Q HN 0.726 nan 8.270 nan 0.000 0.450 91 A N 0.607 123.342 122.820 -0.142 0.000 1.927 91 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 91 A C 1.635 178.955 177.584 -0.439 0.000 1.185 91 A CA 1.471 53.303 52.037 -0.342 0.000 0.639 91 A CB -0.836 17.843 19.000 -0.534 0.000 0.820 91 A HN 0.373 nan 8.150 nan 0.000 0.451 92 F N -0.540 119.395 119.950 -0.024 0.000 2.558 92 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 92 F C 1.908 177.701 175.800 -0.011 0.000 1.119 92 F CA 0.557 58.542 58.000 -0.024 0.000 1.451 92 F CB -0.106 38.844 39.000 -0.083 0.000 1.091 92 F HN 0.111 nan 8.300 nan 0.000 0.563 93 L N -0.681 120.594 121.223 0.087 0.000 2.145 93 L HA -0.058 4.282 4.340 -0.000 0.000 0.201 93 L C 2.226 179.112 176.870 0.028 0.000 1.075 93 L CA 0.880 55.754 54.840 0.055 0.000 0.773 93 L CB -0.598 41.484 42.059 0.038 0.000 0.936 93 L HN 0.050 nan 8.230 nan 0.000 0.451 94 I N 0.521 121.087 120.570 -0.007 0.000 2.264 94 I HA -0.203 3.966 4.170 -0.000 0.000 0.248 94 I C 2.215 178.324 176.117 -0.013 0.000 1.111 94 I CA 1.629 62.917 61.300 -0.020 0.000 1.382 94 I CB -0.564 37.406 38.000 -0.049 0.000 1.060 94 I HN 0.281 nan 8.210 nan 0.000 0.418 95 G N -0.422 108.364 108.800 -0.025 0.000 3.042 95 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.212 95 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.212 95 G C 1.279 176.269 174.900 0.149 0.000 1.166 95 G CA -0.021 45.102 45.100 0.037 0.000 0.767 95 G HN 0.406 nan 8.290 nan 0.000 0.546 96 E N 1.581 121.849 120.200 0.113 0.000 2.033 96 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 96 E C 2.648 179.313 176.600 0.108 0.000 1.011 96 E CA 1.992 58.462 56.400 0.117 0.000 0.815 96 E CB -0.143 29.605 29.700 0.079 0.000 0.755 96 E HN 0.466 nan 8.360 nan 0.000 0.451 97 S N -0.311 115.449 115.700 0.101 0.000 2.402 97 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 97 S C 1.922 176.588 174.600 0.109 0.000 1.021 97 S CA 0.830 59.081 58.200 0.084 0.000 0.974 97 S CB -0.638 62.604 63.200 0.070 0.000 0.800 97 S HN 0.471 nan 8.310 nan 0.000 0.484 98 F N 2.562 122.514 119.950 0.004 0.000 2.102 98 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 98 F C 1.869 177.674 175.800 0.008 0.000 1.105 98 F CA 1.273 59.270 58.000 -0.004 0.000 1.239 98 F CB -0.399 38.588 39.000 -0.022 0.000 0.991 98 F HN 0.150 nan 8.300 nan 0.000 0.474 99 I N 0.151 120.713 120.570 -0.012 0.000 2.226 99 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 99 I C 2.069 178.120 176.117 -0.110 0.000 1.100 99 I CA 0.953 62.196 61.300 -0.094 0.000 1.374 99 I CB -1.336 36.739 38.000 0.125 0.000 1.057 99 I HN 0.489 nan 8.210 nan 0.000 0.413 100 G N 1.207 109.979 108.800 -0.047 0.000 2.583 100 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.292 100 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.292 100 G C 0.437 175.324 174.900 -0.022 0.000 1.203 100 G CA 0.721 45.796 45.100 -0.042 0.000 0.987 100 G HN 0.395 nan 8.290 nan 0.000 0.554 101 N N 1.793 120.475 118.700 -0.030 0.000 2.279 101 N HA 0.244 4.984 4.740 -0.000 0.000 0.226 101 N C -0.305 175.198 175.510 -0.012 0.000 1.126 101 N CA 0.470 53.512 53.050 -0.013 0.000 0.846 101 N CB 0.070 38.548 38.487 -0.014 0.000 1.050 101 N HN 0.442 nan 8.380 nan 0.000 0.502 102 D N -0.152 120.233 120.400 -0.025 0.000 2.388 102 D HA 0.225 4.865 4.640 -0.000 0.000 0.254 102 D C 0.535 176.850 176.300 0.026 0.000 1.111 102 D CA -0.370 53.620 54.000 -0.018 0.000 0.993 102 D CB 1.308 42.069 40.800 -0.065 0.000 1.118 102 D HN 0.057 nan 8.370 nan 0.000 0.502 103 L N 0.338 121.587 121.223 0.042 0.000 2.476 103 L HA 0.249 4.589 4.340 -0.000 0.000 0.264 103 L C 0.923 177.858 176.870 0.108 0.000 1.224 103 L CA 0.123 55.015 54.840 0.087 0.000 0.821 103 L CB 0.299 42.411 42.059 0.088 0.000 1.101 103 L HN 0.462 nan 8.230 nan 0.000 0.488 104 S N -0.327 115.474 115.700 0.168 0.000 2.638 104 S HA 0.919 5.389 4.470 -0.000 0.000 0.274 104 S C -1.047 173.642 174.600 0.148 0.000 1.157 104 S CA -0.616 57.705 58.200 0.202 0.000 0.826 104 S CB 2.134 65.546 63.200 0.353 0.000 1.139 104 S HN 0.846 nan 8.310 nan 0.000 0.474 105 A N 0.290 123.157 122.820 0.078 0.000 2.520 105 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 105 A C -1.702 175.901 177.584 0.033 0.000 1.051 105 A CA -0.637 51.297 52.037 -0.170 0.000 0.690 105 A CB 1.561 20.114 19.000 -0.745 0.000 1.281 105 A HN 1.316 nan 8.150 nan 0.000 0.402 106 L N 2.290 123.595 121.223 0.136 0.000 2.362 106 L HA 0.871 5.211 4.340 -0.000 0.000 0.275 106 L C -1.149 175.844 176.870 0.205 0.000 0.998 106 L CA -0.607 54.363 54.840 0.217 0.000 0.820 106 L CB 1.796 44.118 42.059 0.439 0.000 1.270 106 L HN 0.866 nan 8.230 nan 0.000 0.415 107 V N 5.802 125.801 119.914 0.141 0.000 2.876 107 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 107 V C -0.720 175.489 176.094 0.191 0.000 1.085 107 V CA -0.745 61.655 62.300 0.167 0.000 0.945 107 V CB 2.272 34.171 31.823 0.126 0.000 1.017 107 V HN 0.753 nan 8.190 nan 0.000 0.428 108 L N 5.111 126.482 121.223 0.247 0.000 2.350 108 L HA 0.434 4.773 4.340 -0.000 0.000 0.275 108 L C 1.772 178.750 176.870 0.179 0.000 1.099 108 L CA 0.316 55.285 54.840 0.215 0.000 0.808 108 L CB 1.131 43.351 42.059 0.269 0.000 1.149 108 L HN 0.831 nan 8.230 nan 0.000 0.442 109 G N 0.830 109.705 108.800 0.125 0.000 2.471 109 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 109 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 109 G C 0.720 175.707 174.900 0.146 0.000 1.125 109 G CA 0.625 45.792 45.100 0.113 0.000 0.775 109 G HN 0.859 nan 8.290 nan 0.000 0.548 110 D N -0.734 119.744 120.400 0.130 0.000 2.424 110 D HA 0.037 4.677 4.640 -0.000 0.000 0.220 110 D C 0.101 176.428 176.300 0.044 0.000 1.150 110 D CA -0.537 53.516 54.000 0.088 0.000 0.831 110 D CB -0.701 40.135 40.800 0.059 0.000 0.981 110 D HN 0.145 nan 8.370 nan 0.000 0.500 111 N N 0.856 119.620 118.700 0.107 0.000 2.426 111 N HA 0.303 5.043 4.740 -0.000 0.000 0.275 111 N C -1.058 174.464 175.510 0.019 0.000 1.019 111 N CA -0.508 52.574 53.050 0.053 0.000 0.941 111 N CB 2.035 40.677 38.487 0.258 0.000 1.123 111 N HN 0.136 nan 8.380 nan 0.000 0.486 112 L N 4.154 125.263 121.223 -0.191 0.000 2.319 112 L HA 0.431 4.770 4.340 -0.000 0.000 0.281 112 L C -1.437 175.292 176.870 -0.234 0.000 1.005 112 L CA -0.700 54.071 54.840 -0.115 0.000 0.828 112 L CB 0.416 42.329 42.059 -0.244 0.000 1.227 112 L HN 0.489 nan 8.230 nan 0.000 0.415 113 Y N 4.160 124.521 120.300 0.101 0.000 2.446 113 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 113 Y C -0.860 175.007 175.900 -0.056 0.000 1.055 113 Y CA -0.393 57.647 58.100 -0.100 0.000 1.101 113 Y CB 1.805 40.024 38.460 -0.401 0.000 1.221 113 Y HN 0.451 nan 8.280 nan 0.000 0.460 114 Y N 0.539 120.788 120.300 -0.086 0.000 2.436 114 Y HA 0.660 5.209 4.550 -0.000 0.000 0.327 114 Y C -0.456 175.528 175.900 0.140 0.000 1.138 114 Y CA -0.718 57.401 58.100 0.030 0.000 1.042 114 Y CB 2.007 40.592 38.460 0.209 0.000 1.302 114 Y HN 0.771 nan 8.280 nan 0.000 0.439 115 G N 2.444 110.998 108.800 -0.410 0.000 2.325 115 G HA2 0.242 4.201 3.960 -0.000 0.000 0.297 115 G HA3 0.242 4.201 3.960 -0.000 0.000 0.297 115 G C -2.203 172.599 174.900 -0.163 0.000 1.448 115 G CA -1.161 43.814 45.100 -0.208 0.000 0.838 115 G HN 0.884 nan 8.290 nan 0.000 0.579 116 H N 0.520 119.438 119.070 -0.254 0.000 2.886 116 H HA 0.410 4.966 4.556 -0.000 0.000 0.329 116 H C 0.682 175.981 175.328 -0.049 0.000 1.044 116 H CA 1.846 57.818 56.048 -0.126 0.000 1.456 116 H CB 0.617 30.310 29.762 -0.114 0.000 1.464 116 H HN 0.586 nan 8.280 nan 0.000 0.573 117 D N 2.939 123.001 120.400 -0.563 0.000 3.090 117 D HA -0.262 4.378 4.640 -0.000 0.000 0.215 117 D C 0.884 177.187 176.300 0.006 0.000 1.140 117 D CA 0.858 54.620 54.000 -0.397 0.000 0.937 117 D CB -1.707 38.815 40.800 -0.463 0.000 1.108 117 D HN 0.469 nan 8.370 nan 0.000 0.420 118 F N 1.542 121.518 119.950 0.043 0.000 2.202 118 F HA -0.199 4.328 4.527 -0.000 0.000 0.301 118 F C 2.435 178.220 175.800 -0.025 0.000 1.082 118 F CA 2.302 60.353 58.000 0.085 0.000 1.313 118 F CB -0.358 38.696 39.000 0.090 0.000 1.024 118 F HN 0.412 nan 8.300 nan 0.000 0.495 119 H N -0.511 118.518 119.070 -0.067 0.000 2.421 119 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 119 H C 1.545 176.767 175.328 -0.176 0.000 1.087 119 H CA 1.645 57.581 56.048 -0.186 0.000 1.330 119 H CB -0.761 28.935 29.762 -0.110 0.000 1.388 119 H HN 0.423 nan 8.280 nan 0.000 0.526 120 E N 0.600 120.409 120.200 -0.651 0.000 2.107 120 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 120 E C 2.410 178.860 176.600 -0.250 0.000 0.982 120 E CA 0.739 56.857 56.400 -0.469 0.000 0.809 120 E CB 0.021 29.442 29.700 -0.465 0.000 0.756 120 E HN 0.254 nan 8.360 nan 0.000 0.459 121 L N 1.168 122.272 121.223 -0.197 0.000 2.046 121 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 121 L C 2.034 178.750 176.870 -0.257 0.000 1.077 121 L CA 1.587 56.335 54.840 -0.154 0.000 0.747 121 L CB -0.307 41.669 42.059 -0.139 0.000 0.896 121 L HN 0.097 nan 8.230 nan 0.000 0.432 122 L N -1.068 119.904 121.223 -0.418 0.000 2.072 122 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 122 L C 2.540 179.222 176.870 -0.314 0.000 1.079 122 L CA 1.085 55.671 54.840 -0.423 0.000 0.752 122 L CB -1.365 40.416 42.059 -0.463 0.000 0.906 122 L HN 0.428 nan 8.230 nan 0.000 0.436 123 G N -0.698 107.972 108.800 -0.216 0.000 2.440 123 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 123 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 123 G C 1.740 176.538 174.900 -0.170 0.000 1.154 123 G CA 1.055 46.071 45.100 -0.140 0.000 0.767 123 G HN 0.337 nan 8.290 nan 0.000 0.552 124 S N 0.898 116.488 115.700 -0.184 0.000 2.368 124 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 124 S C 2.762 177.219 174.600 -0.239 0.000 1.030 124 S CA 1.228 59.327 58.200 -0.168 0.000 0.999 124 S CB -0.330 62.793 63.200 -0.128 0.000 0.844 124 S HN 0.597 nan 8.310 nan 0.000 0.459 125 A N 0.596 123.187 122.820 -0.382 0.000 1.929 125 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 125 A C 2.240 179.472 177.584 -0.587 0.000 1.176 125 A CA 1.666 53.335 52.037 -0.614 0.000 0.628 125 A CB -0.888 17.457 19.000 -1.092 0.000 0.816 125 A HN 0.443 nan 8.150 nan 0.000 0.444 126 S N -0.772 114.617 115.700 -0.519 0.000 2.399 126 S HA -0.180 4.290 4.470 -0.000 0.000 0.231 126 S C 1.909 176.473 174.600 -0.060 0.000 1.022 126 S CA 1.584 59.700 58.200 -0.140 0.000 0.983 126 S CB -0.269 62.934 63.200 0.005 0.000 0.803 126 S HN 0.674 nan 8.310 nan 0.000 0.480 127 Q N 0.180 119.919 119.800 -0.102 0.000 2.444 127 Q HA 0.180 4.520 4.340 -0.000 0.000 0.206 127 Q C 0.032 176.000 176.000 -0.055 0.000 0.948 127 Q CA 0.215 55.983 55.803 -0.057 0.000 0.946 127 Q CB 0.261 28.967 28.738 -0.054 0.000 1.027 127 Q HN 0.332 nan 8.270 nan 0.000 0.513 128 R N 1.037 121.490 120.500 -0.078 0.000 2.210 128 R HA 0.104 4.444 4.340 -0.000 0.000 0.338 128 R C 0.589 176.876 176.300 -0.022 0.000 1.062 128 R CA -0.045 56.018 56.100 -0.061 0.000 0.902 128 R CB 0.621 30.863 30.300 -0.098 0.000 1.050 128 R HN 0.210 nan 8.270 nan 0.000 0.461 129 Q N 0.628 120.425 119.800 -0.006 0.000 2.424 129 Q HA 0.036 4.375 4.340 -0.000 0.000 0.204 129 Q C 0.017 176.034 176.000 0.028 0.000 0.933 129 Q CA 0.779 56.592 55.803 0.016 0.000 0.929 129 Q CB 0.873 29.619 28.738 0.014 0.000 1.037 129 Q HN 0.446 nan 8.270 nan 0.000 0.511 130 T N 0.207 114.774 114.554 0.020 0.000 2.861 130 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 130 T C 0.095 174.821 174.700 0.044 0.000 1.003 130 T CA 0.223 62.349 62.100 0.043 0.000 0.977 130 T CB 1.921 70.809 68.868 0.033 0.000 0.996 130 T HN 0.460 nan 8.240 nan 0.000 0.448 131 G N 1.851 110.719 108.800 0.114 0.000 2.584 131 G HA2 0.329 4.288 3.960 -0.000 0.000 0.229 131 G HA3 0.329 4.288 3.960 -0.000 0.000 0.229 131 G C -0.517 174.291 174.900 -0.153 0.000 1.320 131 G CA -0.218 44.953 45.100 0.119 0.000 0.891 131 G HN 1.310 nan 8.290 nan 0.000 0.573 132 A N -1.198 121.375 122.820 -0.411 0.000 2.454 132 A HA 0.944 5.264 4.320 -0.000 0.000 0.302 132 A C -0.125 177.227 177.584 -0.387 0.000 1.079 132 A CA 0.648 52.324 52.037 -0.603 0.000 0.731 132 A CB 1.872 20.187 19.000 -1.140 0.000 1.299 132 A HN 1.937 nan 8.150 nan 0.000 0.413 133 S N -0.246 115.218 115.700 -0.394 0.000 2.538 133 S HA 0.743 5.213 4.470 -0.000 0.000 0.288 133 S C -0.357 173.951 174.600 -0.486 0.000 1.108 133 S CA -0.308 57.637 58.200 -0.425 0.000 0.971 133 S CB 1.513 64.424 63.200 -0.480 0.000 1.041 133 S HN 1.768 nan 8.310 nan 0.000 0.483 134 V N -0.332 119.230 119.914 -0.585 0.000 3.167 134 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 134 V C -1.811 173.763 176.094 -0.867 0.000 1.207 134 V CA -1.101 60.865 62.300 -0.557 0.000 1.059 134 V CB 1.448 33.179 31.823 -0.152 0.000 1.079 134 V HN 0.690 nan 8.190 nan 0.000 0.446 135 F N 0.519 120.384 119.950 -0.141 0.000 2.540 135 F HA 0.901 5.428 4.527 -0.000 0.000 0.317 135 F C 0.419 176.174 175.800 -0.075 0.000 1.104 135 F CA -0.393 57.533 58.000 -0.123 0.000 0.913 135 F CB 2.169 41.049 39.000 -0.200 0.000 1.170 135 F HN 0.890 nan 8.300 nan 0.000 0.450 136 A N 2.920 125.873 122.820 0.222 0.000 2.303 136 A HA 0.700 5.019 4.320 -0.000 0.000 0.320 136 A C -2.086 175.783 177.584 0.475 0.000 1.192 136 A CA -0.604 51.624 52.037 0.319 0.000 0.821 136 A CB 0.608 19.854 19.000 0.410 0.000 1.188 136 A HN 0.760 nan 8.150 nan 0.000 0.492 137 Y N 2.504 122.990 120.300 0.310 0.000 2.406 137 Y HA 0.345 4.895 4.550 -0.000 0.000 0.340 137 Y C -0.007 176.018 175.900 0.207 0.000 0.975 137 Y CA -0.598 57.683 58.100 0.302 0.000 1.056 137 Y CB 1.250 39.814 38.460 0.173 0.000 1.210 137 Y HN 0.802 nan 8.280 nan 0.000 0.448 138 H N 5.815 124.685 119.070 -0.334 0.000 2.848 138 H HA 0.459 5.015 4.556 -0.000 0.000 0.317 138 H C -0.820 174.336 175.328 -0.287 0.000 1.046 138 H CA 0.739 56.402 56.048 -0.642 0.000 1.470 138 H CB 0.553 29.925 29.762 -0.650 0.000 1.483 138 H HN 0.630 nan 8.280 nan 0.000 0.548 139 V N 3.318 123.094 119.914 -0.229 0.000 3.102 139 V HA 0.197 4.317 4.120 -0.000 0.000 0.312 139 V C 0.680 176.759 176.094 -0.025 0.000 1.135 139 V CA -0.985 61.335 62.300 0.033 0.000 1.022 139 V CB 1.773 33.710 31.823 0.190 0.000 1.056 139 V HN 0.616 nan 8.190 nan 0.000 0.436 140 L N 0.411 121.668 121.223 0.058 0.000 2.179 140 L HA 0.334 4.674 4.340 -0.000 0.000 0.208 140 L C 0.806 177.695 176.870 0.032 0.000 1.096 140 L CA 1.812 56.677 54.840 0.042 0.000 0.779 140 L CB -0.192 41.896 42.059 0.047 0.000 0.922 140 L HN 0.864 nan 8.230 nan 0.000 0.443 141 D N 0.135 120.574 120.400 0.064 0.000 2.517 141 D HA 0.224 4.864 4.640 -0.000 0.000 0.301 141 D C -1.820 174.549 176.300 0.115 0.000 1.202 141 D CA -1.222 52.812 54.000 0.058 0.000 0.910 141 D CB 0.852 41.671 40.800 0.031 0.000 1.021 141 D HN 0.202 nan 8.370 nan 0.000 0.499 142 P HA -0.156 nan 4.420 nan 0.000 0.222 142 P C 1.325 178.717 177.300 0.154 0.000 1.147 142 P CA 0.883 64.088 63.100 0.175 0.000 0.790 142 P CB 0.441 32.191 31.700 0.083 0.000 0.780 143 E N 1.302 121.543 120.200 0.068 0.000 2.331 143 E HA -0.193 4.156 4.350 -0.000 0.000 0.199 143 E C 1.643 178.227 176.600 -0.025 0.000 1.008 143 E CA 0.943 57.361 56.400 0.029 0.000 0.843 143 E CB -0.927 28.778 29.700 0.008 0.000 0.761 143 E HN 0.309 nan 8.360 nan 0.000 0.507 144 R N -0.743 119.694 120.500 -0.105 0.000 2.307 144 R HA 0.108 4.448 4.340 -0.000 0.000 0.199 144 R C 0.154 176.137 176.300 -0.529 0.000 1.000 144 R CA 0.531 56.412 56.100 -0.366 0.000 1.023 144 R CB 0.053 29.973 30.300 -0.633 0.000 0.908 144 R HN 0.221 nan 8.270 nan 0.000 0.473 145 Y N -1.827 118.541 120.300 0.113 0.000 2.705 145 Y HA 0.417 4.967 4.550 -0.000 0.000 0.332 145 Y C 0.769 176.753 175.900 0.141 0.000 1.157 145 Y CA -1.420 56.779 58.100 0.165 0.000 1.091 145 Y CB 0.948 39.556 38.460 0.247 0.000 1.301 145 Y HN -0.139 nan 8.280 nan 0.000 0.488 146 G N 0.721 109.745 108.800 0.374 0.000 2.378 146 G HA2 0.438 4.398 3.960 -0.000 0.000 0.255 146 G HA3 0.438 4.398 3.960 -0.000 0.000 0.255 146 G C -1.217 173.817 174.900 0.224 0.000 1.270 146 G CA -0.151 45.096 45.100 0.244 0.000 0.876 146 G HN 0.309 nan 8.290 nan 0.000 0.521 147 V N 2.795 122.801 119.914 0.154 0.000 2.459 147 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 147 V C -0.041 176.087 176.094 0.056 0.000 1.029 147 V CA -0.855 61.522 62.300 0.127 0.000 0.874 147 V CB 1.661 33.551 31.823 0.112 0.000 0.985 147 V HN 0.570 nan 8.190 nan 0.000 0.438 148 V N 4.673 124.602 119.914 0.024 0.000 2.417 148 V HA 0.548 4.667 4.120 -0.000 0.000 0.291 148 V C -0.199 175.728 176.094 -0.279 0.000 1.024 148 V CA -0.239 61.962 62.300 -0.165 0.000 0.861 148 V CB 1.644 33.319 31.823 -0.246 0.000 0.985 148 V HN 1.032 nan 8.190 nan 0.000 0.436 149 E N 5.474 125.481 120.200 -0.322 0.000 2.175 149 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 149 E C -1.603 174.731 176.600 -0.443 0.000 0.969 149 E CA -0.553 55.706 56.400 -0.236 0.000 0.796 149 E CB 1.197 30.849 29.700 -0.080 0.000 1.104 149 E HN 0.619 nan 8.360 nan 0.000 0.395 150 F N 2.624 122.582 119.950 0.012 0.000 2.458 150 F HA 0.200 4.727 4.527 -0.000 0.000 0.330 150 F C 0.766 176.566 175.800 -0.000 0.000 1.082 150 F CA -0.897 57.093 58.000 -0.016 0.000 0.995 150 F CB 0.960 39.924 39.000 -0.060 0.000 1.170 150 F HN 0.480 nan 8.300 nan 0.000 0.478 151 D N 0.528 121.033 120.400 0.175 0.000 2.414 151 D HA 0.042 4.682 4.640 -0.000 0.000 0.259 151 D C 0.592 176.952 176.300 0.100 0.000 1.269 151 D CA -0.258 53.806 54.000 0.106 0.000 1.028 151 D CB 0.401 41.241 40.800 0.066 0.000 1.093 151 D HN 0.650 nan 8.370 nan 0.000 0.545 152 Q N -0.912 118.926 119.800 0.063 0.000 2.291 152 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 152 Q C 1.713 177.730 176.000 0.028 0.000 0.970 152 Q CA 1.257 57.087 55.803 0.045 0.000 0.876 152 Q CB -0.163 28.595 28.738 0.033 0.000 0.935 152 Q HN 0.733 nan 8.270 nan 0.000 0.455 153 G N -0.816 108.003 108.800 0.031 0.000 3.088 153 G HA2 0.238 4.198 3.960 -0.000 0.000 0.212 153 G HA3 0.238 4.198 3.960 -0.000 0.000 0.212 153 G C 0.829 175.733 174.900 0.006 0.000 1.173 153 G CA 0.247 45.356 45.100 0.015 0.000 0.779 153 G HN 0.429 nan 8.290 nan 0.000 0.540 154 G N -0.034 108.779 108.800 0.022 0.000 2.143 154 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.249 154 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.249 154 G C 0.353 175.320 174.900 0.112 0.000 0.981 154 G CA 0.478 45.560 45.100 -0.030 0.000 0.665 154 G HN 0.772 nan 8.290 nan 0.000 0.528 155 K N 0.749 121.246 120.400 0.162 0.000 2.234 155 K HA 0.701 5.021 4.320 -0.000 0.000 0.282 155 K C 0.781 177.512 176.600 0.218 0.000 1.039 155 K CA -0.029 56.358 56.287 0.166 0.000 0.928 155 K CB 0.796 33.341 32.500 0.075 0.000 1.039 155 K HN 0.659 nan 8.250 nan 0.000 0.470 156 A N 4.843 127.751 122.820 0.147 0.000 2.488 156 A HA 0.213 4.533 4.320 -0.000 0.000 0.249 156 A C 0.815 178.340 177.584 -0.097 0.000 1.083 156 A CA -0.194 51.754 52.037 -0.148 0.000 0.768 156 A CB -0.460 18.441 19.000 -0.164 0.000 1.017 156 A HN 0.924 nan 8.150 nan 0.000 0.496 157 I N 0.047 120.534 120.570 -0.137 0.000 4.526 157 I HA 0.314 4.484 4.170 -0.000 0.000 0.330 157 I C 0.393 176.470 176.117 -0.066 0.000 1.323 157 I CA 0.419 61.680 61.300 -0.065 0.000 1.218 157 I CB 0.220 38.203 38.000 -0.027 0.000 1.233 157 I HN 0.558 nan 8.210 nan 0.000 0.430 158 S N 0.819 116.457 115.700 -0.103 0.000 2.567 158 S HA 0.745 5.214 4.470 -0.000 0.000 0.270 158 S C -1.344 173.210 174.600 -0.076 0.000 1.152 158 S CA -0.743 57.418 58.200 -0.065 0.000 0.835 158 S CB 1.981 65.159 63.200 -0.038 0.000 1.115 158 S HN 0.214 nan 8.310 nan 0.000 0.459 159 L N 1.417 122.621 121.223 -0.032 0.000 2.408 159 L HA 0.732 5.072 4.340 -0.000 0.000 0.268 159 L C -0.851 176.030 176.870 0.018 0.000 0.986 159 L CA -0.565 54.272 54.840 -0.005 0.000 0.820 159 L CB 2.069 44.138 42.059 0.017 0.000 1.303 159 L HN 0.702 nan 8.230 nan 0.000 0.411 160 E N 1.761 121.983 120.200 0.036 0.000 2.292 160 E HA 0.280 4.629 4.350 -0.000 0.000 0.272 160 E C -1.378 175.262 176.600 0.067 0.000 0.881 160 E CA -0.816 55.610 56.400 0.043 0.000 0.754 160 E CB 3.040 32.761 29.700 0.036 0.000 1.201 160 E HN 0.370 nan 8.360 nan 0.000 0.425 161 E N 2.181 122.419 120.200 0.064 0.000 2.130 161 E HA 0.123 4.473 4.350 -0.000 0.000 0.284 161 E C -0.839 175.799 176.600 0.063 0.000 1.018 161 E CA -0.173 56.274 56.400 0.079 0.000 0.817 161 E CB 0.230 29.972 29.700 0.070 0.000 1.078 161 E HN 0.382 nan 8.360 nan 0.000 0.396 162 K N 3.878 124.322 120.400 0.074 0.000 3.451 162 K HA -0.145 4.175 4.320 -0.000 0.000 0.273 162 K C -2.211 174.409 176.600 0.033 0.000 0.944 162 K CA 0.622 56.934 56.287 0.043 0.000 0.734 162 K CB -1.261 31.249 32.500 0.016 0.000 1.437 162 K HN 0.556 nan 8.250 nan 0.000 0.454 163 P HA -0.044 nan 4.420 nan 0.000 0.271 163 P C 0.827 178.142 177.300 0.024 0.000 1.216 163 P CA 0.004 63.124 63.100 0.033 0.000 0.776 163 P CB 0.833 32.556 31.700 0.039 0.000 0.881 164 L N 1.643 122.877 121.223 0.018 0.000 2.141 164 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 164 L C 1.154 178.033 176.870 0.016 0.000 1.094 164 L CA 1.606 56.454 54.840 0.013 0.000 0.763 164 L CB -0.216 41.849 42.059 0.010 0.000 0.908 164 L HN 0.455 nan 8.230 nan 0.000 0.437 165 E N 0.053 120.265 120.200 0.020 0.000 2.683 165 E HA 0.240 4.590 4.350 -0.000 0.000 0.224 165 E C -2.299 174.318 176.600 0.029 0.000 1.046 165 E CA -1.933 54.480 56.400 0.023 0.000 0.811 165 E CB 0.919 30.631 29.700 0.020 0.000 1.296 165 E HN 0.031 nan 8.360 nan 0.000 0.421 166 P HA -0.015 nan 4.420 nan 0.000 0.266 166 P C 0.187 177.514 177.300 0.044 0.000 1.195 166 P CA -0.006 63.120 63.100 0.043 0.000 0.768 166 P CB 0.847 32.575 31.700 0.046 0.000 0.838 167 K N 0.376 120.805 120.400 0.049 0.000 2.426 167 K HA 0.114 4.434 4.320 -0.000 0.000 0.193 167 K C 0.729 177.378 176.600 0.082 0.000 1.028 167 K CA 0.399 56.719 56.287 0.054 0.000 1.047 167 K CB 0.121 32.645 32.500 0.040 0.000 0.821 167 K HN 0.657 nan 8.250 nan 0.000 0.513 168 S N -1.048 114.709 115.700 0.095 0.000 2.661 168 S HA 0.255 4.724 4.470 -0.000 0.000 0.268 168 S C -0.651 173.986 174.600 0.062 0.000 1.162 168 S CA -1.021 57.263 58.200 0.141 0.000 0.817 168 S CB 0.793 64.164 63.200 0.284 0.000 1.141 168 S HN -0.055 nan 8.310 nan 0.000 0.477 169 N N 0.023 118.695 118.700 -0.048 0.000 2.279 169 N HA 0.234 4.974 4.740 -0.000 0.000 0.226 169 N C -1.447 173.770 175.510 -0.488 0.000 1.126 169 N CA 0.155 53.006 53.050 -0.332 0.000 0.846 169 N CB -0.137 37.920 38.487 -0.717 0.000 1.050 169 N HN 0.541 nan 8.380 nan 0.000 0.502 170 Y N 0.930 121.236 120.300 0.010 0.000 2.404 170 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 170 Y C 0.559 176.537 175.900 0.131 0.000 0.970 170 Y CA -0.848 57.324 58.100 0.121 0.000 1.180 170 Y CB 0.953 39.597 38.460 0.306 0.000 1.138 170 Y HN -0.048 nan 8.280 nan 0.000 0.510 171 A N 3.301 126.263 122.820 0.237 0.000 2.327 171 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 171 A C -0.581 177.076 177.584 0.121 0.000 1.127 171 A CA -0.660 51.508 52.037 0.217 0.000 0.810 171 A CB 0.443 19.579 19.000 0.228 0.000 1.066 171 A HN 0.538 nan 8.150 nan 0.000 0.492 172 V N 2.962 122.932 119.914 0.094 0.000 2.488 172 V HA 0.297 4.417 4.120 -0.000 0.000 0.277 172 V C 1.248 177.216 176.094 -0.210 0.000 1.046 172 V CA 0.244 62.549 62.300 0.008 0.000 0.986 172 V CB 0.653 32.551 31.823 0.125 0.000 0.989 172 V HN 1.116 nan 8.190 nan 0.000 0.475 173 T N 2.032 116.275 114.554 -0.517 0.000 2.754 173 T HA 0.333 4.683 4.350 -0.000 0.000 0.286 173 T C 0.951 175.346 174.700 -0.508 0.000 0.997 173 T CA 0.026 61.491 62.100 -1.058 0.000 0.982 173 T CB 1.222 69.237 68.868 -1.421 0.000 1.027 173 T HN 0.842 nan 8.240 nan 0.000 0.529 174 G N 0.561 109.237 108.800 -0.207 0.000 3.581 174 G HA2 0.466 4.426 3.960 -0.000 0.000 0.255 174 G HA3 0.466 4.426 3.960 -0.000 0.000 0.255 174 G C -0.654 174.131 174.900 -0.191 0.000 1.121 174 G CA -0.340 44.741 45.100 -0.031 0.000 1.739 174 G HN 0.692 nan 8.290 nan 0.000 0.646 175 L N 0.480 121.293 121.223 -0.684 0.000 2.516 175 L HA 0.695 5.035 4.340 -0.000 0.000 0.267 175 L C -1.973 174.603 176.870 -0.490 0.000 0.957 175 L CA -1.469 53.142 54.840 -0.382 0.000 0.860 175 L CB 1.325 43.225 42.059 -0.265 0.000 1.265 175 L HN 0.181 nan 8.230 nan 0.000 0.403 176 Y N 4.501 124.814 120.300 0.022 0.000 2.433 176 Y HA 0.666 5.216 4.550 -0.000 0.000 0.337 176 Y C -1.075 174.583 175.900 -0.403 0.000 1.026 176 Y CA -0.814 57.201 58.100 -0.142 0.000 1.037 176 Y CB 1.853 40.249 38.460 -0.107 0.000 1.245 176 Y HN 0.361 nan 8.280 nan 0.000 0.443 177 F N 2.562 122.248 119.950 -0.441 0.000 2.482 177 F HA 0.640 5.167 4.527 -0.000 0.000 0.331 177 F C -0.858 174.522 175.800 -0.700 0.000 1.115 177 F CA -1.371 56.399 58.000 -0.384 0.000 0.955 177 F CB 1.204 40.072 39.000 -0.221 0.000 1.136 177 F HN 0.357 nan 8.300 nan 0.000 0.452 178 Y N 1.010 121.344 120.300 0.056 0.000 2.512 178 Y HA 0.339 4.888 4.550 -0.000 0.000 0.348 178 Y C -0.060 175.845 175.900 0.008 0.000 0.990 178 Y CA -1.407 56.647 58.100 -0.076 0.000 1.033 178 Y CB 1.503 39.877 38.460 -0.143 0.000 1.259 178 Y HN 0.588 nan 8.280 nan 0.000 0.461 179 D N 0.066 120.588 120.400 0.204 0.000 2.469 179 D HA 0.064 4.703 4.640 -0.000 0.000 0.278 179 D C 0.253 176.648 176.300 0.158 0.000 1.231 179 D CA -0.343 53.755 54.000 0.163 0.000 1.075 179 D CB 0.439 41.330 40.800 0.152 0.000 1.121 179 D HN 0.540 nan 8.370 nan 0.000 0.571 180 Q N -1.287 118.575 119.800 0.105 0.000 2.515 180 Q HA -0.002 4.338 4.340 -0.000 0.000 0.212 180 Q C 1.526 177.549 176.000 0.038 0.000 0.970 180 Q CA 0.805 56.646 55.803 0.064 0.000 0.941 180 Q CB -0.205 28.556 28.738 0.038 0.000 0.998 180 Q HN 0.466 nan 8.270 nan 0.000 0.518 181 Q N -0.833 119.003 119.800 0.060 0.000 2.424 181 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 181 Q C 1.853 177.789 176.000 -0.106 0.000 0.933 181 Q CA 0.402 56.184 55.803 -0.035 0.000 0.929 181 Q CB 0.219 28.893 28.738 -0.107 0.000 1.037 181 Q HN 0.277 nan 8.270 nan 0.000 0.511 182 V N 0.086 119.946 119.914 -0.090 0.000 2.358 182 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 182 V C 1.999 177.900 176.094 -0.322 0.000 1.047 182 V CA 1.343 63.437 62.300 -0.343 0.000 1.035 182 V CB -0.053 31.265 31.823 -0.843 0.000 0.658 182 V HN 0.179 nan 8.190 nan 0.000 0.452 183 V N 0.517 120.337 119.914 -0.157 0.000 2.287 183 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 183 V C 2.380 178.440 176.094 -0.056 0.000 1.053 183 V CA 2.543 64.820 62.300 -0.039 0.000 1.027 183 V CB -0.806 31.039 31.823 0.037 0.000 0.646 183 V HN 0.594 nan 8.190 nan 0.000 0.447 184 D N -0.264 120.093 120.400 -0.072 0.000 2.144 184 D HA -0.115 4.524 4.640 -0.000 0.000 0.199 184 D C 2.031 178.271 176.300 -0.100 0.000 0.984 184 D CA 1.238 55.194 54.000 -0.072 0.000 0.834 184 D CB -0.183 40.576 40.800 -0.069 0.000 0.955 184 D HN 0.411 nan 8.370 nan 0.000 0.465 185 I N 0.946 121.423 120.570 -0.156 0.000 2.202 185 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 185 I C 2.412 178.453 176.117 -0.127 0.000 1.091 185 I CA 1.038 62.233 61.300 -0.175 0.000 1.368 185 I CB -0.119 37.718 38.000 -0.271 0.000 1.058 185 I HN -0.074 nan 8.210 nan 0.000 0.410 186 A N 0.547 123.291 122.820 -0.126 0.000 1.933 186 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 186 A C 2.351 179.921 177.584 -0.025 0.000 1.175 186 A CA 1.289 53.291 52.037 -0.059 0.000 0.628 186 A CB -0.548 18.453 19.000 0.001 0.000 0.814 186 A HN 0.302 nan 8.150 nan 0.000 0.444 187 R N -0.319 120.166 120.500 -0.026 0.000 2.127 187 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 187 R C 0.734 177.021 176.300 -0.021 0.000 1.134 187 R CA 1.466 57.557 56.100 -0.015 0.000 0.975 187 R CB -0.250 30.041 30.300 -0.015 0.000 0.865 187 R HN 0.451 nan 8.270 nan 0.000 0.447 188 D N 0.125 120.504 120.400 -0.035 0.000 2.340 188 D HA 0.062 4.701 4.640 -0.000 0.000 0.220 188 D C 0.440 176.723 176.300 -0.029 0.000 1.039 188 D CA 0.297 54.277 54.000 -0.034 0.000 0.866 188 D CB 0.213 40.985 40.800 -0.046 0.000 0.913 188 D HN 0.120 nan 8.370 nan 0.000 0.523 189 L N 1.083 122.290 121.223 -0.027 0.000 2.452 189 L HA 0.115 4.455 4.340 -0.000 0.000 0.267 189 L C 0.813 177.677 176.870 -0.010 0.000 1.188 189 L CA 0.009 54.837 54.840 -0.020 0.000 0.821 189 L CB 0.576 42.625 42.059 -0.016 0.000 1.102 189 L HN -0.344 nan 8.230 nan 0.000 0.470 190 K N 1.967 122.363 120.400 -0.008 0.000 2.208 190 K HA 0.507 4.827 4.320 -0.000 0.000 0.247 190 K C -2.330 174.271 176.600 0.001 0.000 0.953 190 K CA -2.156 54.130 56.287 -0.003 0.000 0.837 190 K CB 1.080 33.578 32.500 -0.004 0.000 1.131 190 K HN 0.187 nan 8.250 nan 0.000 0.431 191 P HA -0.020 nan 4.420 nan 0.000 0.268 191 P C 0.019 177.323 177.300 0.007 0.000 1.208 191 P CA 0.059 63.163 63.100 0.007 0.000 0.777 191 P CB 0.470 32.174 31.700 0.007 0.000 0.875 192 S N 2.448 118.154 115.700 0.010 0.000 2.671 192 S HA 0.340 4.810 4.470 -0.000 0.000 0.272 192 S C -1.602 173.003 174.600 0.009 0.000 1.174 192 S CA -0.894 57.312 58.200 0.010 0.000 1.004 192 S CB -0.311 62.898 63.200 0.015 0.000 1.077 192 S HN 0.218 nan 8.310 nan 0.000 0.553 193 P HA 0.036 nan 4.420 nan 0.000 0.220 193 P C 1.079 178.384 177.300 0.008 0.000 1.148 193 P CA 1.012 64.117 63.100 0.008 0.000 0.803 193 P CB -0.009 31.696 31.700 0.008 0.000 0.782 194 R N -1.563 118.944 120.500 0.010 0.000 2.276 194 R HA 0.177 4.517 4.340 -0.000 0.000 0.203 194 R C 1.138 177.444 176.300 0.009 0.000 1.017 194 R CA 0.755 56.860 56.100 0.009 0.000 1.010 194 R CB -0.545 29.762 30.300 0.012 0.000 0.900 194 R HN 0.153 nan 8.270 nan 0.000 0.469 195 G N 1.335 110.141 108.800 0.010 0.000 2.204 195 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 195 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 195 G C -0.552 174.355 174.900 0.012 0.000 1.062 195 G CA -0.193 44.913 45.100 0.009 0.000 0.798 195 G HN 0.199 nan 8.290 nan 0.000 0.496 196 E N -0.728 119.480 120.200 0.015 0.000 2.288 196 E HA 0.523 4.873 4.350 -0.000 0.000 0.268 196 E C 0.071 176.682 176.600 0.019 0.000 0.885 196 E CA -0.947 55.464 56.400 0.019 0.000 0.767 196 E CB 1.692 31.406 29.700 0.024 0.000 1.220 196 E HN 0.212 nan 8.360 nan 0.000 0.427 197 L N 2.356 123.591 121.223 0.020 0.000 2.295 197 L HA 0.199 4.538 4.340 -0.000 0.000 0.288 197 L C 0.412 177.296 176.870 0.025 0.000 1.079 197 L CA 0.028 54.879 54.840 0.019 0.000 0.830 197 L CB 0.206 42.277 42.059 0.020 0.000 1.200 197 L HN 0.208 nan 8.230 nan 0.000 0.438 198 E N 2.856 123.069 120.200 0.022 0.000 2.197 198 E HA 0.070 4.420 4.350 -0.000 0.000 0.281 198 E C 0.727 177.339 176.600 0.019 0.000 0.995 198 E CA -0.493 55.925 56.400 0.029 0.000 0.808 198 E CB 2.499 32.219 29.700 0.034 0.000 1.093 198 E HN 0.479 nan 8.360 nan 0.000 0.394 199 I N 2.857 123.434 120.570 0.011 0.000 2.454 199 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 199 I C 1.901 178.018 176.117 0.000 0.000 1.156 199 I CA 1.664 62.939 61.300 -0.042 0.000 1.433 199 I CB 0.046 37.930 38.000 -0.194 0.000 1.082 199 I HN 0.519 nan 8.210 nan 0.000 0.432 200 T N 0.174 114.756 114.554 0.048 0.000 2.833 200 T HA -0.137 4.212 4.350 -0.000 0.000 0.269 200 T C 1.467 176.199 174.700 0.055 0.000 1.054 200 T CA 1.557 63.701 62.100 0.074 0.000 1.135 200 T CB -0.281 68.639 68.868 0.087 0.000 0.869 200 T HN 0.363 nan 8.240 nan 0.000 0.466 201 D N 0.609 121.029 120.400 0.033 0.000 2.149 201 D HA 0.001 4.641 4.640 -0.000 0.000 0.201 201 D C 2.244 178.552 176.300 0.012 0.000 0.972 201 D CA 0.426 54.437 54.000 0.018 0.000 0.835 201 D CB -0.410 40.394 40.800 0.005 0.000 0.966 201 D HN 0.192 nan 8.370 nan 0.000 0.476 202 V N 1.740 121.655 119.914 0.003 0.000 2.287 202 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 202 V C 2.026 178.211 176.094 0.152 0.000 1.053 202 V CA 1.536 63.835 62.300 -0.002 0.000 1.027 202 V CB -0.464 31.294 31.823 -0.108 0.000 0.646 202 V HN 0.177 nan 8.190 nan 0.000 0.447 203 N N 0.043 118.844 118.700 0.169 0.000 2.166 203 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 203 N C 1.962 177.576 175.510 0.172 0.000 1.019 203 N CA 1.330 54.513 53.050 0.222 0.000 0.856 203 N CB -0.471 38.118 38.487 0.170 0.000 0.993 203 N HN 0.441 nan 8.380 nan 0.000 0.426 204 R N 0.783 121.343 120.500 0.100 0.000 2.120 204 R HA 0.014 4.353 4.340 -0.000 0.000 0.234 204 R C 1.950 178.278 176.300 0.047 0.000 1.123 204 R CA 1.139 57.275 56.100 0.060 0.000 0.975 204 R CB -0.095 30.225 30.300 0.033 0.000 0.866 204 R HN 0.178 nan 8.270 nan 0.000 0.446 205 A N -0.132 122.705 122.820 0.029 0.000 1.902 205 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 205 A C 1.802 179.351 177.584 -0.058 0.000 1.181 205 A CA 1.140 53.145 52.037 -0.053 0.000 0.623 205 A CB -0.668 18.251 19.000 -0.135 0.000 0.818 205 A HN 0.451 nan 8.150 nan 0.000 0.443 206 Y N -1.091 119.205 120.300 -0.006 0.000 2.263 206 Y HA -0.092 4.458 4.550 -0.000 0.000 0.292 206 Y C 2.221 178.118 175.900 -0.004 0.000 1.130 206 Y CA 1.218 59.320 58.100 0.004 0.000 1.179 206 Y CB -0.266 38.215 38.460 0.035 0.000 0.998 206 Y HN 0.343 nan 8.280 nan 0.000 0.532 207 L N 0.596 121.912 121.223 0.155 0.000 2.046 207 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 207 L C 1.832 178.724 176.870 0.038 0.000 1.077 207 L CA 1.893 56.776 54.840 0.072 0.000 0.747 207 L CB -0.534 41.549 42.059 0.040 0.000 0.896 207 L HN 0.187 nan 8.230 nan 0.000 0.432 208 E N -0.758 119.456 120.200 0.024 0.000 2.409 208 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 208 E C 1.560 178.157 176.600 -0.004 0.000 1.024 208 E CA 0.380 56.781 56.400 0.002 0.000 0.861 208 E CB 0.041 29.735 29.700 -0.010 0.000 0.788 208 E HN 0.538 nan 8.360 nan 0.000 0.521 209 R N -0.565 119.936 120.500 0.001 0.000 2.397 209 R HA 0.119 4.459 4.340 -0.000 0.000 0.241 209 R C 0.850 177.161 176.300 0.018 0.000 0.914 209 R CA 0.463 56.561 56.100 -0.003 0.000 1.071 209 R CB 0.943 31.226 30.300 -0.028 0.000 1.116 209 R HN 0.132 nan 8.270 nan 0.000 0.524 210 G N 1.935 110.752 108.800 0.029 0.000 2.176 210 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 210 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 210 G C 0.334 175.261 174.900 0.044 0.000 1.024 210 G CA 0.163 45.280 45.100 0.028 0.000 0.755 210 G HN 0.424 nan 8.290 nan 0.000 0.507 211 Q N -1.405 118.446 119.800 0.085 0.000 2.135 211 Q HA 0.421 4.760 4.340 -0.000 0.000 0.222 211 Q C 0.201 176.273 176.000 0.121 0.000 0.808 211 Q CA -0.395 55.483 55.803 0.125 0.000 1.049 211 Q CB 1.027 29.893 28.738 0.214 0.000 1.168 211 Q HN 0.433 nan 8.270 nan 0.000 0.483 212 L N 0.924 122.188 121.223 0.069 0.000 2.272 212 L HA 0.385 4.724 4.340 -0.000 0.000 0.289 212 L C -0.666 176.169 176.870 -0.058 0.000 1.032 212 L CA 0.030 54.866 54.840 -0.008 0.000 0.810 212 L CB 1.781 43.855 42.059 0.026 0.000 1.205 212 L HN -0.171 nan 8.230 nan 0.000 0.422 213 S N 4.058 119.683 115.700 -0.124 0.000 2.438 213 S HA 0.573 5.043 4.470 -0.000 0.000 0.293 213 S C -0.548 173.940 174.600 -0.185 0.000 1.141 213 S CA -0.540 57.576 58.200 -0.139 0.000 1.080 213 S CB 1.200 64.297 63.200 -0.172 0.000 0.978 213 S HN 0.407 nan 8.310 nan 0.000 0.479 214 V N 4.742 124.589 119.914 -0.110 0.000 2.334 214 V HA 0.362 4.482 4.120 -0.000 0.000 0.281 214 V C -0.180 175.878 176.094 -0.060 0.000 1.016 214 V CA -0.680 61.565 62.300 -0.092 0.000 0.832 214 V CB 1.277 33.116 31.823 0.027 0.000 0.999 214 V HN 0.713 nan 8.190 nan 0.000 0.439 215 E N 4.397 124.505 120.200 -0.154 0.000 2.175 215 E HA 0.447 4.797 4.350 -0.000 0.000 0.278 215 E C -0.503 176.148 176.600 0.084 0.000 0.969 215 E CA -0.838 55.532 56.400 -0.050 0.000 0.796 215 E CB 2.476 32.137 29.700 -0.064 0.000 1.104 215 E HN 0.337 nan 8.360 nan 0.000 0.395 216 I N 2.604 123.211 120.570 0.062 0.000 2.556 216 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 216 I C 0.664 176.903 176.117 0.203 0.000 1.114 216 I CA 0.024 61.381 61.300 0.096 0.000 1.418 216 I CB 0.113 38.097 38.000 -0.025 0.000 1.394 216 I HN 0.467 nan 8.210 nan 0.000 0.552 217 M N 6.038 125.805 119.600 0.278 0.000 2.055 217 M HA 0.421 4.901 4.480 -0.000 0.000 0.347 217 M C 0.488 177.049 176.300 0.435 0.000 1.123 217 M CA -0.391 55.078 55.300 0.281 0.000 1.035 217 M CB 0.654 33.380 32.600 0.209 0.000 1.484 217 M HN 0.707 nan 8.290 nan 0.000 0.428 218 G N 3.689 112.764 108.800 0.459 0.000 2.664 218 G HA2 0.055 4.015 3.960 -0.000 0.000 0.242 218 G HA3 0.055 4.015 3.960 -0.000 0.000 0.242 218 G C 0.731 175.809 174.900 0.297 0.000 1.225 218 G CA -0.606 44.686 45.100 0.319 0.000 0.849 218 G HN 0.977 nan 8.290 nan 0.000 0.581 219 R N 0.121 120.681 120.500 0.101 0.000 2.293 219 R HA -0.026 4.313 4.340 -0.000 0.000 0.219 219 R C 1.937 178.302 176.300 0.110 0.000 1.091 219 R CA 1.219 57.332 56.100 0.022 0.000 1.004 219 R CB -0.397 29.872 30.300 -0.052 0.000 0.865 219 R HN 0.486 nan 8.270 nan 0.000 0.469 220 G N 0.356 109.214 108.800 0.096 0.000 2.484 220 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.218 220 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.218 220 G C -0.026 174.900 174.900 0.045 0.000 1.130 220 G CA -0.049 45.067 45.100 0.027 0.000 0.784 220 G HN 0.250 nan 8.290 nan 0.000 0.543 221 Y N 0.406 120.839 120.300 0.221 0.000 2.301 221 Y HA 0.492 5.042 4.550 -0.000 0.000 0.328 221 Y C 0.654 176.738 175.900 0.307 0.000 1.242 221 Y CA -0.556 57.680 58.100 0.227 0.000 1.323 221 Y CB 1.255 39.836 38.460 0.201 0.000 1.266 221 Y HN 0.107 nan 8.280 nan 0.000 0.527 222 A N 2.866 125.909 122.820 0.371 0.000 2.274 222 A HA 0.418 4.738 4.320 -0.000 0.000 0.309 222 A C -1.767 175.798 177.584 -0.031 0.000 1.226 222 A CA -0.439 51.681 52.037 0.137 0.000 0.853 222 A CB 0.024 18.956 19.000 -0.113 0.000 1.146 222 A HN 0.788 nan 8.150 nan 0.000 0.518 223 W N 5.043 126.028 121.300 -0.525 0.000 2.463 223 W HA 0.612 5.272 4.660 -0.000 0.000 0.316 223 W C -1.934 174.227 176.519 -0.595 0.000 1.004 223 W CA -0.937 55.917 57.345 -0.818 0.000 1.309 223 W CB 0.688 29.367 29.460 -1.301 0.000 1.288 223 W HN 0.538 nan 8.180 nan 0.000 0.423 224 L N 5.496 126.222 121.223 -0.829 0.000 2.334 224 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 224 L C -0.348 176.048 176.870 -0.790 0.000 1.013 224 L CA -0.957 53.429 54.840 -0.756 0.000 0.816 224 L CB 1.840 43.588 42.059 -0.519 0.000 1.278 224 L HN 0.250 nan 8.230 nan 0.000 0.431 225 D N 0.618 120.636 120.400 -0.637 0.000 2.425 225 D HA 0.180 4.820 4.640 -0.000 0.000 0.240 225 D C 0.426 176.581 176.300 -0.241 0.000 1.080 225 D CA -0.372 53.390 54.000 -0.397 0.000 0.836 225 D CB 1.778 42.374 40.800 -0.340 0.000 1.125 225 D HN 0.594 nan 8.370 nan 0.000 0.525 226 T N 0.403 114.855 114.554 -0.170 0.000 3.278 226 T HA 0.282 4.632 4.350 -0.000 0.000 0.251 226 T C 1.352 176.011 174.700 -0.069 0.000 1.039 226 T CA -0.319 61.708 62.100 -0.121 0.000 0.935 226 T CB 0.141 68.941 68.868 -0.114 0.000 1.034 226 T HN 0.325 nan 8.240 nan 0.000 0.575 227 G N 1.719 110.476 108.800 -0.072 0.000 3.233 227 G HA2 0.360 4.320 3.960 -0.000 0.000 0.227 227 G HA3 0.360 4.320 3.960 -0.000 0.000 0.227 227 G C 0.429 175.268 174.900 -0.102 0.000 1.175 227 G CA 0.115 45.180 45.100 -0.059 0.000 0.781 227 G HN 0.707 nan 8.290 nan 0.000 0.542 228 T N -4.920 109.567 114.554 -0.112 0.000 2.896 228 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 228 T C 0.788 175.428 174.700 -0.100 0.000 1.108 228 T CA -0.716 61.278 62.100 -0.177 0.000 1.004 228 T CB 1.747 70.531 68.868 -0.141 0.000 1.159 228 T HN 0.032 nan 8.240 nan 0.000 0.499 229 H N 0.956 120.010 119.070 -0.027 0.000 2.319 229 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 229 H C 1.509 176.822 175.328 -0.026 0.000 1.092 229 H CA 1.945 57.980 56.048 -0.020 0.000 1.302 229 H CB -0.276 29.479 29.762 -0.012 0.000 1.373 229 H HN 0.666 nan 8.280 nan 0.000 0.497 230 D N 0.216 120.666 120.400 0.084 0.000 2.117 230 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 230 D C 2.313 178.608 176.300 -0.008 0.000 0.987 230 D CA 1.669 55.687 54.000 0.030 0.000 0.829 230 D CB -0.259 40.546 40.800 0.008 0.000 0.961 230 D HN 0.434 nan 8.370 nan 0.000 0.460 231 S N 0.207 115.885 115.700 -0.036 0.000 2.436 231 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 231 S C 1.983 176.538 174.600 -0.075 0.000 1.014 231 S CA 0.137 58.291 58.200 -0.076 0.000 0.950 231 S CB -0.304 62.829 63.200 -0.111 0.000 0.784 231 S HN 0.134 nan 8.310 nan 0.000 0.504 232 L N 1.618 122.819 121.223 -0.037 0.000 2.046 232 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 232 L C 2.262 179.125 176.870 -0.012 0.000 1.077 232 L CA 1.554 56.380 54.840 -0.024 0.000 0.747 232 L CB -0.734 41.339 42.059 0.022 0.000 0.896 232 L HN 0.357 nan 8.230 nan 0.000 0.432 233 L N -0.796 120.430 121.223 0.006 0.000 2.046 233 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 233 L C 2.554 179.421 176.870 -0.005 0.000 1.077 233 L CA 1.569 56.413 54.840 0.008 0.000 0.747 233 L CB -0.685 41.382 42.059 0.012 0.000 0.896 233 L HN 0.359 nan 8.230 nan 0.000 0.432 234 E N 0.126 120.313 120.200 -0.021 0.000 2.077 234 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 234 E C 2.298 178.884 176.600 -0.023 0.000 0.989 234 E CA 1.176 57.562 56.400 -0.023 0.000 0.800 234 E CB -0.127 29.545 29.700 -0.047 0.000 0.746 234 E HN 0.504 nan 8.360 nan 0.000 0.452 235 A N 1.249 124.026 122.820 -0.072 0.000 1.877 235 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 235 A C 2.457 180.028 177.584 -0.021 0.000 1.186 235 A CA 1.727 53.706 52.037 -0.097 0.000 0.620 235 A CB -1.204 17.686 19.000 -0.184 0.000 0.822 235 A HN 0.364 nan 8.150 nan 0.000 0.443 236 G N -0.709 108.085 108.800 -0.011 0.000 2.476 236 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 236 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 236 G C 1.608 176.481 174.900 -0.044 0.000 1.164 236 G CA 1.133 46.255 45.100 0.037 0.000 0.768 236 G HN 0.655 nan 8.290 nan 0.000 0.560 237 Q N -0.944 118.833 119.800 -0.038 0.000 2.084 237 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 237 Q C 2.232 178.178 176.000 -0.090 0.000 0.978 237 Q CA 1.121 56.872 55.803 -0.087 0.000 0.844 237 Q CB -0.264 28.455 28.738 -0.031 0.000 0.898 237 Q HN 0.529 nan 8.270 nan 0.000 0.426 238 F N 1.246 121.103 119.950 -0.157 0.000 2.075 238 F HA -0.246 4.280 4.527 -0.000 0.000 0.297 238 F C 1.914 177.596 175.800 -0.196 0.000 1.113 238 F CA 1.143 59.052 58.000 -0.151 0.000 1.218 238 F CB -0.030 38.894 39.000 -0.127 0.000 0.984 238 F HN -0.008 nan 8.300 nan 0.000 0.472 239 I N 0.698 121.265 120.570 -0.004 0.000 2.226 239 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 239 I C 2.735 178.680 176.117 -0.286 0.000 1.100 239 I CA 1.475 62.714 61.300 -0.101 0.000 1.374 239 I CB -2.169 35.884 38.000 0.087 0.000 1.057 239 I HN 0.249 nan 8.210 nan 0.000 0.413 240 A N 0.328 122.809 122.820 -0.566 0.000 1.902 240 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 240 A C 2.454 179.764 177.584 -0.456 0.000 1.181 240 A CA 2.420 53.895 52.037 -0.936 0.000 0.623 240 A CB -1.038 17.235 19.000 -1.212 0.000 0.818 240 A HN 0.401 nan 8.150 nan 0.000 0.443 241 T N 0.311 114.647 114.554 -0.363 0.000 2.737 241 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 241 T C 1.829 176.368 174.700 -0.268 0.000 1.038 241 T CA 1.427 63.359 62.100 -0.280 0.000 1.144 241 T CB -0.364 68.339 68.868 -0.276 0.000 0.866 241 T HN 0.367 nan 8.240 nan 0.000 0.434 242 L N 0.663 121.678 121.223 -0.347 0.000 2.017 242 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 242 L C 2.770 179.535 176.870 -0.175 0.000 1.073 242 L CA 1.507 56.174 54.840 -0.288 0.000 0.745 242 L CB -0.537 41.276 42.059 -0.409 0.000 0.894 242 L HN 0.324 nan 8.230 nan 0.000 0.432 243 E N -0.085 120.018 120.200 -0.162 0.000 2.077 243 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 243 E C 1.853 178.417 176.600 -0.059 0.000 0.989 243 E CA 1.028 57.377 56.400 -0.084 0.000 0.800 243 E CB -0.118 29.576 29.700 -0.011 0.000 0.746 243 E HN 0.483 nan 8.360 nan 0.000 0.452 244 N N 0.729 119.383 118.700 -0.076 0.000 2.396 244 N HA -0.103 4.637 4.740 -0.000 0.000 0.180 244 N C 1.793 177.276 175.510 -0.044 0.000 1.028 244 N CA 0.606 53.629 53.050 -0.045 0.000 0.893 244 N CB -0.037 38.418 38.487 -0.054 0.000 0.967 244 N HN 0.014 nan 8.380 nan 0.000 0.440 245 R N 1.538 121.998 120.500 -0.066 0.000 2.062 245 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 245 R C 1.814 178.100 176.300 -0.025 0.000 1.128 245 R CA 1.505 57.575 56.100 -0.051 0.000 0.960 245 R CB -0.270 29.987 30.300 -0.072 0.000 0.855 245 R HN 0.250 nan 8.270 nan 0.000 0.432 246 Q N -1.277 118.510 119.800 -0.022 0.000 2.302 246 Q HA 0.196 4.536 4.340 -0.000 0.000 0.202 246 Q C 0.741 176.757 176.000 0.027 0.000 0.936 246 Q CA 0.650 56.459 55.803 0.009 0.000 0.886 246 Q CB 0.497 29.249 28.738 0.023 0.000 0.986 246 Q HN 0.601 nan 8.270 nan 0.000 0.487 247 G N 1.182 109.992 108.800 0.017 0.000 2.179 247 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 247 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 247 G C -0.149 174.804 174.900 0.088 0.000 1.010 247 G CA 0.300 45.426 45.100 0.044 0.000 0.736 247 G HN 0.196 nan 8.290 nan 0.000 0.513 248 L N -1.045 120.202 121.223 0.041 0.000 2.341 248 L HA 0.651 4.990 4.340 -0.000 0.000 0.267 248 L C 0.337 177.096 176.870 -0.185 0.000 1.009 248 L CA -1.175 53.698 54.840 0.055 0.000 0.819 248 L CB 1.870 44.011 42.059 0.137 0.000 1.323 248 L HN -0.064 nan 8.230 nan 0.000 0.425 249 K N 0.951 121.095 120.400 -0.426 0.000 2.164 249 K HA 0.560 4.880 4.320 -0.000 0.000 0.258 249 K C -1.098 175.463 176.600 -0.065 0.000 0.951 249 K CA -0.804 55.267 56.287 -0.361 0.000 0.844 249 K CB 2.624 34.666 32.500 -0.762 0.000 1.099 249 K HN 0.202 nan 8.250 nan 0.000 0.435 250 V N 1.885 121.810 119.914 0.019 0.000 2.498 250 V HA 0.219 4.339 4.120 -0.000 0.000 0.279 250 V C 0.512 176.658 176.094 0.087 0.000 1.048 250 V CA 0.070 62.454 62.300 0.139 0.000 0.967 250 V CB 0.805 32.707 31.823 0.131 0.000 0.988 250 V HN 1.045 nan 8.190 nan 0.000 0.473 251 A N 3.284 126.172 122.820 0.114 0.000 2.846 251 A HA -0.211 4.108 4.320 -0.000 0.000 0.287 251 A C 0.533 178.083 177.584 -0.057 0.000 1.469 251 A CA 0.603 52.634 52.037 -0.010 0.000 0.757 251 A CB -1.935 16.947 19.000 -0.198 0.000 1.033 251 A HN 1.337 nan 8.150 nan 0.000 0.516 252 C N 0.644 119.935 119.300 -0.016 0.000 2.322 252 C HA 0.571 5.031 4.460 -0.000 0.000 0.343 252 C C -0.086 174.787 174.990 -0.195 0.000 1.190 252 C CA -1.256 57.743 59.018 -0.031 0.000 1.704 252 C CB -0.267 27.450 27.740 -0.039 0.000 2.293 252 C HN 0.527 nan 8.230 nan 0.000 0.523 253 P HA -0.101 nan 4.420 nan 0.000 0.218 253 P C 1.118 178.040 177.300 -0.630 0.000 1.148 253 P CA 1.470 64.184 63.100 -0.643 0.000 0.822 253 P CB 0.207 31.155 31.700 -1.253 0.000 0.784 254 E N -0.202 119.599 120.200 -0.666 0.000 2.077 254 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 254 E C 2.056 178.556 176.600 -0.166 0.000 0.989 254 E CA 1.184 57.341 56.400 -0.404 0.000 0.800 254 E CB -0.667 28.902 29.700 -0.218 0.000 0.746 254 E HN 0.436 nan 8.360 nan 0.000 0.452 255 E N 0.621 120.742 120.200 -0.132 0.000 2.047 255 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 255 E C 2.001 178.575 176.600 -0.044 0.000 0.987 255 E CA 1.017 57.390 56.400 -0.045 0.000 0.799 255 E CB -0.096 29.599 29.700 -0.008 0.000 0.752 255 E HN 0.246 nan 8.360 nan 0.000 0.449 256 I N 1.139 121.646 120.570 -0.104 0.000 2.286 256 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 256 I C 2.595 178.570 176.117 -0.237 0.000 1.115 256 I CA 1.000 62.207 61.300 -0.155 0.000 1.392 256 I CB -0.318 37.605 38.000 -0.129 0.000 1.065 256 I HN 0.209 nan 8.210 nan 0.000 0.418 257 A N 0.122 122.867 122.820 -0.127 0.000 1.933 257 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 257 A C 2.303 179.864 177.584 -0.037 0.000 1.175 257 A CA 1.566 53.587 52.037 -0.026 0.000 0.628 257 A CB -0.941 18.184 19.000 0.209 0.000 0.814 257 A HN 0.513 nan 8.150 nan 0.000 0.444 258 Y N 0.530 120.756 120.300 -0.124 0.000 2.200 258 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 258 Y C 2.428 178.232 175.900 -0.161 0.000 1.137 258 Y CA 1.730 59.767 58.100 -0.105 0.000 1.163 258 Y CB -0.372 38.029 38.460 -0.099 0.000 0.988 258 Y HN 0.251 nan 8.280 nan 0.000 0.518 259 R N -0.174 120.152 120.500 -0.290 0.000 2.115 259 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 259 R C 1.849 177.894 176.300 -0.425 0.000 1.111 259 R CA 1.525 57.394 56.100 -0.384 0.000 0.976 259 R CB -0.206 29.942 30.300 -0.253 0.000 0.870 259 R HN 0.525 nan 8.270 nan 0.000 0.445 260 Q N 0.468 119.948 119.800 -0.533 0.000 2.403 260 Q HA 0.040 4.380 4.340 -0.000 0.000 0.203 260 Q C -0.124 175.548 176.000 -0.546 0.000 0.932 260 Q CA 0.177 55.552 55.803 -0.715 0.000 0.945 260 Q CB 0.479 28.370 28.738 -1.412 0.000 1.045 260 Q HN 0.214 nan 8.270 nan 0.000 0.511 261 K N -1.167 119.031 120.400 -0.337 0.000 3.160 261 K HA -0.176 4.144 4.320 -0.000 0.000 0.280 261 K C -0.027 176.667 176.600 0.157 0.000 1.154 261 K CA 0.683 56.910 56.287 -0.100 0.000 0.822 261 K CB -1.411 31.051 32.500 -0.063 0.000 1.239 261 K HN 0.329 nan 8.250 nan 0.000 0.489 262 W N 0.826 122.141 121.300 0.024 0.000 2.658 262 W HA 0.241 4.900 4.660 -0.000 0.000 0.263 262 W C 1.359 177.930 176.519 0.087 0.000 1.274 262 W CA 0.426 57.804 57.345 0.055 0.000 1.343 262 W CB -0.096 29.402 29.460 0.064 0.000 1.106 262 W HN 0.268 nan 8.180 nan 0.000 0.615 263 I N -0.847 119.911 120.570 0.313 0.000 2.828 263 I HA 0.467 4.636 4.170 -0.000 0.000 0.302 263 I C -0.433 175.844 176.117 0.268 0.000 1.101 263 I CA -1.191 60.265 61.300 0.260 0.000 1.031 263 I CB 2.144 40.300 38.000 0.260 0.000 1.231 263 I HN -0.279 nan 8.210 nan 0.000 0.427 264 D N 3.855 124.387 120.400 0.220 0.000 2.478 264 D HA 0.521 5.161 4.640 -0.000 0.000 0.263 264 D C 1.048 177.481 176.300 0.221 0.000 1.153 264 D CA -0.298 53.846 54.000 0.238 0.000 1.038 264 D CB 1.287 42.174 40.800 0.144 0.000 1.120 264 D HN 0.687 nan 8.370 nan 0.000 0.564 265 A N -0.031 122.918 122.820 0.214 0.000 1.933 265 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 265 A C 2.156 179.713 177.584 -0.045 0.000 1.175 265 A CA 2.450 54.488 52.037 0.003 0.000 0.628 265 A CB -1.413 17.619 19.000 0.054 0.000 0.814 265 A HN 0.695 nan 8.150 nan 0.000 0.444 266 A N -0.569 122.261 122.820 0.016 0.000 1.908 266 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 266 A C 2.136 179.727 177.584 0.012 0.000 1.181 266 A CA 1.744 53.788 52.037 0.011 0.000 0.627 266 A CB -0.588 18.430 19.000 0.030 0.000 0.818 266 A HN 0.680 nan 8.150 nan 0.000 0.445 267 Q N -1.212 118.610 119.800 0.036 0.000 2.046 267 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 267 Q C 2.127 178.148 176.000 0.035 0.000 0.975 267 Q CA 1.375 57.214 55.803 0.059 0.000 0.836 267 Q CB -0.366 28.435 28.738 0.104 0.000 0.896 267 Q HN 0.559 nan 8.270 nan 0.000 0.428 268 L N 1.401 122.601 121.223 -0.038 0.000 2.046 268 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 268 L C 2.177 178.992 176.870 -0.092 0.000 1.077 268 L CA 1.931 56.699 54.840 -0.120 0.000 0.747 268 L CB -0.530 41.287 42.059 -0.404 0.000 0.896 268 L HN 0.210 nan 8.230 nan 0.000 0.432 269 E N -0.448 119.695 120.200 -0.097 0.000 2.070 269 E HA -0.336 4.014 4.350 -0.000 0.000 0.197 269 E C 2.271 178.866 176.600 -0.009 0.000 1.004 269 E CA 1.773 58.137 56.400 -0.059 0.000 0.805 269 E CB -0.161 29.509 29.700 -0.051 0.000 0.744 269 E HN 0.501 nan 8.360 nan 0.000 0.451 270 K N 0.165 120.572 120.400 0.011 0.000 2.147 270 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 270 K C 2.078 178.715 176.600 0.062 0.000 1.049 270 K CA 0.977 57.285 56.287 0.036 0.000 0.936 270 K CB -0.009 32.516 32.500 0.042 0.000 0.722 270 K HN 0.182 nan 8.250 nan 0.000 0.446 271 L N -0.045 121.227 121.223 0.082 0.000 2.156 271 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 271 L C 2.499 179.445 176.870 0.126 0.000 1.095 271 L CA 0.899 55.822 54.840 0.138 0.000 0.770 271 L CB -0.388 41.786 42.059 0.191 0.000 0.914 271 L HN 0.239 nan 8.230 nan 0.000 0.439 272 A N 0.109 122.974 122.820 0.076 0.000 1.970 272 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 272 A C 2.574 180.201 177.584 0.071 0.000 1.170 272 A CA 1.213 53.295 52.037 0.075 0.000 0.645 272 A CB -0.485 18.523 19.000 0.014 0.000 0.816 272 A HN 0.338 nan 8.150 nan 0.000 0.447 273 A N 1.027 123.878 122.820 0.052 0.000 1.869 273 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 273 A C 0.392 178.007 177.584 0.052 0.000 1.203 273 A CA 2.100 54.163 52.037 0.043 0.000 0.638 273 A CB -1.832 17.188 19.000 0.034 0.000 0.831 273 A HN 0.511 nan 8.150 nan 0.000 0.450 274 P HA -0.012 nan 4.420 nan 0.000 0.230 274 P C 0.746 178.084 177.300 0.064 0.000 1.158 274 P CA 0.805 63.938 63.100 0.056 0.000 0.769 274 P CB -0.065 31.670 31.700 0.059 0.000 0.807 275 L N -1.425 119.851 121.223 0.089 0.000 2.728 275 L HA 0.310 4.650 4.340 -0.000 0.000 0.238 275 L C 2.337 179.265 176.870 0.098 0.000 1.143 275 L CA 0.007 54.911 54.840 0.106 0.000 0.937 275 L CB -0.428 41.739 42.059 0.180 0.000 1.225 275 L HN -0.158 nan 8.230 nan 0.000 0.507 276 A N 0.417 123.280 122.820 0.071 0.000 1.948 276 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 276 A C 2.185 179.800 177.584 0.051 0.000 1.177 276 A CA 1.459 53.530 52.037 0.056 0.000 0.636 276 A CB -0.187 18.836 19.000 0.039 0.000 0.815 276 A HN 0.184 nan 8.150 nan 0.000 0.449 277 K N 0.382 120.809 120.400 0.045 0.000 2.360 277 K HA -0.097 4.222 4.320 -0.000 0.000 0.201 277 K C 0.325 176.950 176.600 0.041 0.000 1.046 277 K CA 1.067 57.376 56.287 0.036 0.000 0.945 277 K CB -0.605 31.910 32.500 0.026 0.000 0.750 277 K HN 0.904 nan 8.250 nan 0.000 0.464 278 N N -2.673 116.062 118.700 0.059 0.000 2.653 278 N HA 0.240 4.979 4.740 -0.000 0.000 0.294 278 N C 1.178 176.744 175.510 0.092 0.000 1.305 278 N CA -0.231 52.858 53.050 0.065 0.000 0.827 278 N CB 0.186 38.707 38.487 0.057 0.000 1.415 278 N HN -0.188 nan 8.380 nan 0.000 0.546 279 G N -0.874 107.978 108.800 0.087 0.000 2.469 279 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 279 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 279 G C 0.974 175.962 174.900 0.147 0.000 1.136 279 G CA 0.847 46.004 45.100 0.094 0.000 0.759 279 G HN 0.627 nan 8.290 nan 0.000 0.562 280 Y N 1.485 121.811 120.300 0.044 0.000 2.163 280 Y HA 0.021 4.571 4.550 -0.000 0.000 0.288 280 Y C 2.867 178.847 175.900 0.133 0.000 1.136 280 Y CA 1.592 59.740 58.100 0.081 0.000 1.147 280 Y CB -0.275 38.213 38.460 0.046 0.000 0.987 280 Y HN 0.158 nan 8.280 nan 0.000 0.509 281 G N -0.726 108.253 108.800 0.300 0.000 2.402 281 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 281 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 281 G C 1.384 176.347 174.900 0.104 0.000 1.162 281 G CA 0.851 46.066 45.100 0.191 0.000 0.777 281 G HN 0.441 nan 8.290 nan 0.000 0.539 282 Q N -1.058 118.803 119.800 0.103 0.000 2.124 282 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 282 Q C 2.180 178.216 176.000 0.059 0.000 0.977 282 Q CA 1.291 57.134 55.803 0.066 0.000 0.850 282 Q CB -0.303 28.476 28.738 0.069 0.000 0.901 282 Q HN 0.629 nan 8.270 nan 0.000 0.429 283 Y N 1.114 121.381 120.300 -0.055 0.000 2.145 283 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 283 Y C 1.688 177.513 175.900 -0.126 0.000 1.145 283 Y CA 1.411 59.449 58.100 -0.104 0.000 1.148 283 Y CB -0.191 38.164 38.460 -0.175 0.000 0.981 283 Y HN 0.014 nan 8.280 nan 0.000 0.507 284 L N 0.042 121.168 121.223 -0.161 0.000 2.046 284 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 284 L C 2.449 179.172 176.870 -0.245 0.000 1.077 284 L CA 1.749 56.440 54.840 -0.249 0.000 0.747 284 L CB -0.620 41.383 42.059 -0.093 0.000 0.896 284 L HN 0.173 nan 8.230 nan 0.000 0.432 285 K N -0.002 120.310 120.400 -0.146 0.000 2.057 285 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 285 K C 2.250 178.755 176.600 -0.158 0.000 1.049 285 K CA 1.366 57.575 56.287 -0.129 0.000 0.931 285 K CB -0.206 32.256 32.500 -0.064 0.000 0.714 285 K HN 0.158 nan 8.250 nan 0.000 0.440 286 R N 1.311 121.707 120.500 -0.173 0.000 2.127 286 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 286 R C 2.068 178.239 176.300 -0.215 0.000 1.134 286 R CA 0.928 56.927 56.100 -0.168 0.000 0.975 286 R CB -0.177 30.034 30.300 -0.149 0.000 0.865 286 R HN 0.144 nan 8.270 nan 0.000 0.447 287 L N 0.556 121.584 121.223 -0.325 0.000 2.353 287 L HA -0.153 4.187 4.340 -0.000 0.000 0.220 287 L C 1.938 178.708 176.870 -0.167 0.000 1.133 287 L CA 0.697 55.370 54.840 -0.279 0.000 0.798 287 L CB -0.214 41.631 42.059 -0.357 0.000 0.922 287 L HN 0.331 nan 8.230 nan 0.000 0.445 288 L N -0.618 120.486 121.223 -0.199 0.000 2.217 288 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 288 L C 1.957 178.789 176.870 -0.062 0.000 1.107 288 L CA 1.566 56.315 54.840 -0.151 0.000 0.783 288 L CB -0.317 41.645 42.059 -0.162 0.000 0.919 288 L HN 0.413 nan 8.230 nan 0.000 0.442 289 T N -5.359 109.152 114.554 -0.072 0.000 3.111 289 T HA 0.154 4.504 4.350 -0.000 0.000 0.284 289 T C 0.220 174.888 174.700 -0.054 0.000 0.983 289 T CA -0.416 61.656 62.100 -0.048 0.000 0.900 289 T CB 0.349 69.191 68.868 -0.044 0.000 1.132 289 T HN 0.119 nan 8.240 nan 0.000 0.531 290 E N 1.526 121.681 120.200 -0.075 0.000 2.171 290 E HA 0.417 4.767 4.350 -0.000 0.000 0.271 290 E C -1.082 175.446 176.600 -0.121 0.000 0.916 290 E CA -0.519 55.828 56.400 -0.088 0.000 0.774 290 E CB 1.467 31.111 29.700 -0.094 0.000 1.128 290 E HN 0.071 nan 8.360 nan 0.000 0.403 291 T N 2.972 117.428 114.554 -0.164 0.000 2.794 291 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 291 T C -0.529 173.912 174.700 -0.431 0.000 0.949 291 T CA -0.350 61.577 62.100 -0.289 0.000 1.101 291 T CB 0.784 69.455 68.868 -0.328 0.000 0.905 291 T HN 0.198 nan 8.240 nan 0.000 0.516 292 V N 5.051 124.726 119.914 -0.398 0.000 2.444 292 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 292 V C -0.679 175.210 176.094 -0.341 0.000 1.022 292 V CA -1.029 61.075 62.300 -0.326 0.000 0.850 292 V CB 0.678 32.426 31.823 -0.126 0.000 0.992 292 V HN 0.807 nan 8.190 nan 0.000 0.426 293 Y N 0.000 120.306 120.300 0.010 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.105 58.100 0.009 0.000 1.940 293 Y CB 0.000 38.468 38.460 0.014 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758