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 2o9c_1_A DATA FIRST_RESID 4 DATA SEQUENCE DPLPFFPPLY LGGPEITTEN CEREPIHIPG SIQPHGALLT ADGHSGEVLQ DATA SEQUENCE MSLNAATFLG QEPTVLRGQT LAALLPEQWP ALQAALPPGC PDALQYRATL DATA SEQUENCE DWPAAGHLSL TVHRVGELLI LEFEPTEAWD STGPHALRNA MFALESAPNL DATA SEQUENCE RALAEVATQT VRELTGFDRV MLYKFAPDAT GEVIAEARRE GLHAFLGHRF DATA SEQUENCE PASDIPAQAR ALYTRHLLRL TADTRAAAVP LDPVLNPQTN APTPLGGAVL DATA SEQUENCE RATSPMHMQY LRNMGVGSSL SVSVVVGGQL WGLIACHHQT PYVLPPDLRT DATA SEQUENCE TLESLGRLLS LQVQVKEAH 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.258 176.300 -0.069 0.000 2.045 4 D CA 0.000 53.961 54.000 -0.065 0.000 0.868 4 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 5 P HA 0.565 nan 4.420 nan 0.000 0.274 5 P C 0.302 177.557 177.300 -0.074 0.000 1.237 5 P CA -0.566 62.485 63.100 -0.082 0.000 0.793 5 P CB 1.001 32.646 31.700 -0.093 0.000 0.977 6 L N 2.202 123.377 121.223 -0.079 0.000 2.473 6 L HA 0.207 4.512 4.340 -0.058 0.000 0.268 6 L C -1.546 175.266 176.870 -0.097 0.000 1.215 6 L CA -1.771 53.017 54.840 -0.086 0.000 0.823 6 L CB -0.554 41.449 42.059 -0.094 0.000 1.099 6 L HN 0.367 nan 8.230 nan 0.000 0.483 7 P HA 0.063 nan 4.420 nan 0.000 0.271 7 P C -0.770 176.406 177.300 -0.207 0.000 1.218 7 P CA -0.215 62.764 63.100 -0.201 0.000 0.780 7 P CB 0.316 31.877 31.700 -0.232 0.000 0.901 8 F N 0.947 120.833 119.950 -0.108 0.000 2.382 8 F HA 0.522 5.015 4.527 -0.057 0.000 0.331 8 F C 0.540 176.279 175.800 -0.101 0.000 1.121 8 F CA -1.462 56.433 58.000 -0.175 0.000 1.183 8 F CB -0.358 38.617 39.000 -0.043 0.000 1.207 8 F HN 0.253 nan 8.300 nan 0.000 0.555 9 F N -0.969 119.120 119.950 0.232 0.000 2.375 9 F HA 0.677 5.169 4.527 -0.057 0.000 0.313 9 F C -2.517 173.422 175.800 0.232 0.000 1.176 9 F CA -2.756 55.329 58.000 0.142 0.000 1.142 9 F CB -0.602 38.430 39.000 0.053 0.000 1.275 9 F HN 0.197 nan 8.300 nan 0.000 0.544 10 P HA 0.109 nan 4.420 nan 0.000 0.269 10 P C -2.421 174.933 177.300 0.091 0.000 1.215 10 P CA -0.680 62.538 63.100 0.196 0.000 0.780 10 P CB 0.119 31.853 31.700 0.056 0.000 0.898 11 P HA 0.082 nan 4.420 nan 0.000 0.273 11 P C 0.894 177.977 177.300 -0.361 0.000 1.250 11 P CA -0.049 62.863 63.100 -0.313 0.000 0.793 11 P CB 0.702 31.958 31.700 -0.741 0.000 1.011 12 L N 0.239 121.326 121.223 -0.225 0.000 2.079 12 L HA -0.212 4.094 4.340 -0.058 0.000 0.210 12 L C 2.443 179.260 176.870 -0.088 0.000 1.081 12 L CA 1.904 56.682 54.840 -0.104 0.000 0.752 12 L CB -1.121 40.943 42.059 0.008 0.000 0.896 12 L HN 0.480 nan 8.230 nan 0.000 0.433 13 Y N -1.779 118.527 120.300 0.011 0.000 2.578 13 Y HA 0.137 4.652 4.550 -0.058 0.000 0.297 13 Y C 1.553 177.460 175.900 0.011 0.000 1.176 13 Y CA 0.087 58.192 58.100 0.008 0.000 1.315 13 Y CB -0.650 37.813 38.460 0.004 0.000 1.031 13 Y HN 0.027 nan 8.280 nan 0.000 0.524 14 L N 0.786 121.880 121.223 -0.215 0.000 2.965 14 L HA 0.474 4.780 4.340 -0.058 0.000 0.254 14 L C 1.246 178.077 176.870 -0.065 0.000 1.220 14 L CA 0.249 55.036 54.840 -0.088 0.000 1.023 14 L CB 0.274 42.260 42.059 -0.122 0.000 1.355 14 L HN 0.515 nan 8.230 nan 0.000 0.545 15 G N 0.050 108.813 108.800 -0.063 0.000 2.143 15 G HA2 -0.233 3.693 3.960 -0.058 0.000 0.249 15 G HA3 -0.233 3.693 3.960 -0.058 0.000 0.249 15 G C 0.609 175.456 174.900 -0.088 0.000 0.981 15 G CA -0.090 44.978 45.100 -0.054 0.000 0.665 15 G HN 0.525 nan 8.290 nan 0.000 0.528 16 G N 0.230 108.959 108.800 -0.117 0.000 2.667 16 G HA2 0.558 4.484 3.960 -0.058 0.000 0.250 16 G HA3 0.558 4.484 3.960 -0.058 0.000 0.250 16 G C -1.329 173.416 174.900 -0.259 0.000 1.212 16 G CA -0.163 44.834 45.100 -0.172 0.000 0.874 16 G HN 0.324 nan 8.290 nan 0.000 0.561 17 P HA 0.154 nan 4.420 nan 0.000 0.274 17 P C -0.060 177.030 177.300 -0.350 0.000 1.237 17 P CA -0.473 62.356 63.100 -0.451 0.000 0.793 17 P CB 0.970 32.273 31.700 -0.662 0.000 0.977 18 E N 1.194 121.284 120.200 -0.183 0.000 2.442 18 E HA 0.044 4.360 4.350 -0.058 0.000 0.262 18 E C -0.309 176.265 176.600 -0.044 0.000 1.004 18 E CA -0.286 56.067 56.400 -0.079 0.000 0.928 18 E CB 0.266 29.941 29.700 -0.040 0.000 0.937 18 E HN 0.214 nan 8.360 nan 0.000 0.446 19 I N 4.443 125.042 120.570 0.049 0.000 2.342 19 I HA 0.125 4.260 4.170 -0.058 0.000 0.291 19 I C 0.796 176.973 176.117 0.100 0.000 1.010 19 I CA -0.033 61.349 61.300 0.138 0.000 1.308 19 I CB 0.446 38.552 38.000 0.176 0.000 1.400 19 I HN 0.587 nan 8.210 nan 0.000 0.488 20 T N 0.391 115.011 114.554 0.109 0.000 2.858 20 T HA 0.329 4.644 4.350 -0.058 0.000 0.285 20 T C 1.122 175.876 174.700 0.089 0.000 1.052 20 T CA -0.079 62.071 62.100 0.083 0.000 1.009 20 T CB 1.421 70.328 68.868 0.065 0.000 1.241 20 T HN 0.617 nan 8.240 nan 0.000 0.542 21 T N -1.579 113.021 114.554 0.076 0.000 3.051 21 T HA -0.007 4.308 4.350 -0.058 0.000 0.269 21 T C 1.230 175.971 174.700 0.068 0.000 1.127 21 T CA 0.740 62.884 62.100 0.073 0.000 1.107 21 T CB -0.349 68.561 68.868 0.071 0.000 0.898 21 T HN 0.593 nan 8.240 nan 0.000 0.517 22 E N 2.183 122.426 120.200 0.071 0.000 2.318 22 E HA 0.019 4.335 4.350 -0.058 0.000 0.193 22 E C 1.223 177.874 176.600 0.085 0.000 0.998 22 E CA 0.616 57.057 56.400 0.068 0.000 0.859 22 E CB -0.001 29.736 29.700 0.061 0.000 0.812 22 E HN 0.853 nan 8.360 nan 0.000 0.492 23 N N -0.572 118.200 118.700 0.120 0.000 2.184 23 N HA -0.047 4.659 4.740 -0.058 0.000 0.234 23 N C 1.358 176.949 175.510 0.134 0.000 1.282 23 N CA 0.145 53.298 53.050 0.172 0.000 0.877 23 N CB -1.135 37.558 38.487 0.342 0.000 1.184 23 N HN 0.058 nan 8.380 nan 0.000 0.510 24 C N -0.885 118.468 119.300 0.089 0.000 2.449 24 C HA 0.198 4.623 4.460 -0.058 0.000 0.283 24 C C 1.643 176.618 174.990 -0.025 0.000 1.453 24 C CA -0.040 59.014 59.018 0.060 0.000 1.779 24 C CB -0.519 27.260 27.740 0.064 0.000 1.779 24 C HN 0.289 nan 8.230 nan 0.000 0.546 25 E N 1.103 121.273 120.200 -0.051 0.000 2.418 25 E HA -0.065 4.250 4.350 -0.058 0.000 0.197 25 E C 1.773 178.271 176.600 -0.170 0.000 1.026 25 E CA 0.593 56.937 56.400 -0.094 0.000 0.862 25 E CB -0.221 29.436 29.700 -0.072 0.000 0.799 25 E HN 0.767 nan 8.360 nan 0.000 0.518 26 R N 0.855 121.173 120.500 -0.303 0.000 2.397 26 R HA 0.120 4.425 4.340 -0.058 0.000 0.241 26 R C 0.563 176.412 176.300 -0.752 0.000 0.914 26 R CA -0.148 55.575 56.100 -0.628 0.000 1.071 26 R CB 0.396 30.079 30.300 -1.029 0.000 1.116 26 R HN 0.105 nan 8.270 nan 0.000 0.524 27 E N 3.794 123.808 120.200 -0.311 0.000 2.417 27 E HA 0.017 4.333 4.350 -0.058 0.000 0.261 27 E C -1.968 174.616 176.600 -0.027 0.000 1.000 27 E CA -1.761 54.612 56.400 -0.045 0.000 0.919 27 E CB 0.722 30.455 29.700 0.055 0.000 0.955 27 E HN -0.064 nan 8.360 nan 0.000 0.455 28 P HA 0.032 nan 4.420 nan 0.000 0.237 28 P C 0.706 177.953 177.300 -0.089 0.000 1.788 28 P CA 0.148 63.181 63.100 -0.112 0.000 1.061 28 P CB -0.585 30.939 31.700 -0.292 0.000 1.967 29 I N -0.368 120.221 120.570 0.032 0.000 2.756 29 I HA -0.178 3.957 4.170 -0.058 0.000 0.262 29 I C 1.836 177.976 176.117 0.038 0.000 1.225 29 I CA 0.932 62.248 61.300 0.027 0.000 1.472 29 I CB -1.065 36.943 38.000 0.014 0.000 1.094 29 I HN 0.164 nan 8.210 nan 0.000 0.454 30 H N 3.071 122.064 119.070 -0.128 0.000 2.548 30 H HA 0.169 4.690 4.556 -0.058 0.000 0.268 30 H C 1.123 176.404 175.328 -0.078 0.000 0.975 30 H CA 0.446 56.438 56.048 -0.094 0.000 1.195 30 H CB -0.373 29.324 29.762 -0.109 0.000 1.397 30 H HN 0.665 nan 8.280 nan 0.000 0.572 31 I N -0.998 119.258 120.570 -0.523 0.000 2.953 31 I HA 0.323 4.458 4.170 -0.058 0.000 0.325 31 I C -2.276 173.818 176.117 -0.040 0.000 1.421 31 I CA -2.031 59.068 61.300 -0.336 0.000 0.845 31 I CB 1.612 39.296 38.000 -0.526 0.000 2.186 31 I HN -0.235 nan 8.210 nan 0.000 0.604 32 P HA 0.044 nan 4.420 nan 0.000 0.233 32 P C 1.195 178.595 177.300 0.167 0.000 1.167 32 P CA 1.270 64.447 63.100 0.129 0.000 0.770 32 P CB 0.249 31.988 31.700 0.065 0.000 0.837 33 G N 0.611 109.425 108.800 0.024 0.000 2.198 33 G HA2 -0.192 3.733 3.960 -0.058 0.000 0.260 33 G HA3 -0.192 3.733 3.960 -0.058 0.000 0.260 33 G C 0.093 174.897 174.900 -0.160 0.000 1.025 33 G CA 0.428 45.394 45.100 -0.223 0.000 0.769 33 G HN 0.761 nan 8.290 nan 0.000 0.507 34 S N -1.532 114.132 115.700 -0.060 0.000 2.587 34 S HA 0.800 5.235 4.470 -0.058 0.000 0.269 34 S C -0.592 174.000 174.600 -0.014 0.000 1.154 34 S CA -0.450 57.728 58.200 -0.036 0.000 0.824 34 S CB 2.317 65.510 63.200 -0.011 0.000 1.118 34 S HN 1.732 nan 8.310 nan 0.000 0.462 35 I N -1.672 118.891 120.570 -0.013 0.000 3.145 35 I HA 0.606 4.742 4.170 -0.058 0.000 0.313 35 I C -0.738 175.378 176.117 -0.002 0.000 1.122 35 I CA -1.332 59.956 61.300 -0.020 0.000 0.987 35 I CB 1.790 39.756 38.000 -0.057 0.000 1.236 35 I HN 0.701 nan 8.210 nan 0.000 0.453 36 Q N 2.739 122.534 119.800 -0.008 0.000 2.373 36 Q HA 0.262 4.567 4.340 -0.058 0.000 0.255 36 Q C -1.791 174.207 176.000 -0.004 0.000 0.980 36 Q CA -1.510 54.324 55.803 0.052 0.000 0.882 36 Q CB 0.882 29.721 28.738 0.168 0.000 1.249 36 Q HN 0.489 nan 8.270 nan 0.000 0.438 37 P HA -0.132 nan 4.420 nan 0.000 0.245 37 P C 0.353 177.788 177.300 0.225 0.000 1.212 37 P CA 1.044 64.233 63.100 0.148 0.000 0.774 37 P CB 0.113 31.915 31.700 0.171 0.000 0.999 38 H N -1.351 117.785 119.070 0.111 0.000 2.547 38 H HA 0.366 4.886 4.556 -0.060 0.000 0.266 38 H C 0.544 175.819 175.328 -0.088 0.000 0.988 38 H CA 0.445 56.581 56.048 0.146 0.000 1.147 38 H CB -0.095 29.724 29.762 0.095 0.000 1.365 38 H HN 0.028 nan 8.280 nan 0.000 0.589 39 G N -0.500 107.896 108.800 -0.673 0.000 2.788 39 G HA2 0.616 4.541 3.960 -0.058 0.000 0.293 39 G HA3 0.616 4.541 3.960 -0.058 0.000 0.293 39 G C -1.587 172.753 174.900 -0.933 0.000 1.392 39 G CA -0.377 44.077 45.100 -1.077 0.000 0.810 39 G HN 0.511 nan 8.290 nan 0.000 0.508 40 A N -0.928 121.475 122.820 -0.696 0.000 2.380 40 A HA 0.871 5.157 4.320 -0.058 0.000 0.315 40 A C -1.340 176.244 177.584 -0.000 0.000 1.101 40 A CA -0.660 51.235 52.037 -0.237 0.000 0.771 40 A CB 1.858 20.800 19.000 -0.097 0.000 1.287 40 A HN 1.293 nan 8.150 nan 0.000 0.436 41 L N 1.686 122.931 121.223 0.038 0.000 2.408 41 L HA 0.788 5.094 4.340 -0.058 0.000 0.268 41 L C -1.462 175.471 176.870 0.104 0.000 0.986 41 L CA -0.866 54.027 54.840 0.087 0.000 0.820 41 L CB 1.887 43.948 42.059 0.004 0.000 1.303 41 L HN 0.845 nan 8.230 nan 0.000 0.411 42 L N 2.016 123.340 121.223 0.168 0.000 2.341 42 L HA 0.935 5.241 4.340 -0.058 0.000 0.267 42 L C -0.298 176.605 176.870 0.056 0.000 1.009 42 L CA -0.188 54.716 54.840 0.107 0.000 0.819 42 L CB 2.056 44.197 42.059 0.136 0.000 1.323 42 L HN 0.614 nan 8.230 nan 0.000 0.425 43 T N -0.578 113.987 114.554 0.019 0.000 2.912 43 T HA 0.964 5.279 4.350 -0.058 0.000 0.288 43 T C -0.417 174.281 174.700 -0.003 0.000 1.030 43 T CA -0.117 61.980 62.100 -0.005 0.000 1.020 43 T CB 1.650 70.505 68.868 -0.021 0.000 1.056 43 T HN 1.334 nan 8.240 nan 0.000 0.480 44 A N 1.703 124.520 122.820 -0.004 0.000 2.515 44 A HA 0.653 4.938 4.320 -0.058 0.000 0.298 44 A C -0.760 176.831 177.584 0.011 0.000 1.059 44 A CA -0.924 51.106 52.037 -0.011 0.000 0.698 44 A CB 1.459 20.444 19.000 -0.025 0.000 1.289 44 A HN 1.008 nan 8.150 nan 0.000 0.404 45 D N 1.123 121.526 120.400 0.006 0.000 2.458 45 D HA 0.339 4.945 4.640 -0.058 0.000 0.243 45 D C 1.520 177.890 176.300 0.116 0.000 1.146 45 D CA 1.324 55.353 54.000 0.049 0.000 0.877 45 D CB 0.905 41.732 40.800 0.045 0.000 1.176 45 D HN 0.569 nan 8.370 nan 0.000 0.461 46 G N 2.340 111.222 108.800 0.138 0.000 2.509 46 G HA2 -0.242 3.683 3.960 -0.058 0.000 0.218 46 G HA3 -0.242 3.683 3.960 -0.058 0.000 0.218 46 G C 1.204 176.264 174.900 0.267 0.000 1.124 46 G CA 0.860 46.070 45.100 0.184 0.000 0.776 46 G HN 0.709 nan 8.290 nan 0.000 0.547 47 H N 0.266 119.431 119.070 0.157 0.000 2.430 47 H HA 0.078 4.599 4.556 -0.058 0.000 0.297 47 H C 2.553 178.030 175.328 0.247 0.000 1.016 47 H CA 1.440 57.588 56.048 0.166 0.000 1.294 47 H CB 0.253 30.068 29.762 0.088 0.000 1.465 47 H HN 0.250 nan 8.280 nan 0.000 0.547 48 S N -1.023 114.736 115.700 0.097 0.000 2.524 48 S HA 0.207 4.642 4.470 -0.058 0.000 0.216 48 S C 1.771 176.266 174.600 -0.175 0.000 0.987 48 S CA 0.447 58.628 58.200 -0.031 0.000 0.909 48 S CB 0.120 63.326 63.200 0.009 0.000 0.781 48 S HN 0.796 nan 8.310 nan 0.000 0.521 49 G N 1.354 110.035 108.800 -0.198 0.000 2.168 49 G HA2 -0.331 3.595 3.960 -0.058 0.000 0.263 49 G HA3 -0.331 3.595 3.960 -0.058 0.000 0.263 49 G C -0.160 174.503 174.900 -0.396 0.000 0.977 49 G CA 0.388 45.102 45.100 -0.644 0.000 0.659 49 G HN 0.763 nan 8.290 nan 0.000 0.533 50 E N 0.374 120.449 120.200 -0.208 0.000 2.465 50 E HA 0.302 4.618 4.350 -0.058 0.000 0.260 50 E C 0.548 177.085 176.600 -0.104 0.000 0.980 50 E CA -0.369 55.947 56.400 -0.142 0.000 0.927 50 E CB 0.510 30.163 29.700 -0.077 0.000 0.934 50 E HN 0.137 nan 8.360 nan 0.000 0.459 51 V N 7.239 127.096 119.914 -0.095 0.000 2.470 51 V HA -0.010 4.075 4.120 -0.058 0.000 0.276 51 V C 1.098 177.168 176.094 -0.040 0.000 1.040 51 V CA 0.273 62.538 62.300 -0.058 0.000 1.008 51 V CB 0.865 32.657 31.823 -0.051 0.000 0.990 51 V HN 0.737 nan 8.190 nan 0.000 0.477 52 L N 3.550 124.757 121.223 -0.027 0.000 2.467 52 L HA 0.298 4.604 4.340 -0.058 0.000 0.213 52 L C 0.707 177.565 176.870 -0.020 0.000 1.053 52 L CA 0.452 55.279 54.840 -0.021 0.000 0.847 52 L CB 0.142 42.193 42.059 -0.014 0.000 1.075 52 L HN 0.591 nan 8.230 nan 0.000 0.479 53 Q N -0.008 119.781 119.800 -0.018 0.000 2.423 53 Q HA 0.707 5.013 4.340 -0.058 0.000 0.278 53 Q C -1.250 174.741 176.000 -0.014 0.000 1.097 53 Q CA -0.315 55.475 55.803 -0.021 0.000 0.809 53 Q CB 3.260 31.982 28.738 -0.028 0.000 1.391 53 Q HN 0.018 nan 8.270 nan 0.000 0.428 54 M N 1.018 120.607 119.600 -0.018 0.000 2.433 54 M HA 0.345 4.790 4.480 -0.058 0.000 0.290 54 M C -0.714 175.578 176.300 -0.013 0.000 1.173 54 M CA -0.886 54.408 55.300 -0.010 0.000 0.905 54 M CB 2.504 35.094 32.600 -0.015 0.000 1.692 54 M HN 0.750 nan 8.290 nan 0.000 0.462 55 S N 1.635 117.333 115.700 -0.004 0.000 2.572 55 S HA 0.290 4.725 4.470 -0.058 0.000 0.279 55 S C 0.863 175.469 174.600 0.010 0.000 1.341 55 S CA -0.670 57.529 58.200 -0.002 0.000 1.043 55 S CB 0.686 63.887 63.200 0.002 0.000 0.887 55 S HN 0.791 nan 8.310 nan 0.000 0.516 56 L N 1.281 122.510 121.223 0.010 0.000 2.362 56 L HA -0.097 4.208 4.340 -0.058 0.000 0.219 56 L C 1.855 178.746 176.870 0.036 0.000 1.134 56 L CA 0.878 55.727 54.840 0.014 0.000 0.807 56 L CB -0.719 41.345 42.059 0.008 0.000 0.927 56 L HN 0.827 nan 8.230 nan 0.000 0.447 57 N N 0.121 118.862 118.700 0.070 0.000 2.314 57 N HA 0.008 4.713 4.740 -0.058 0.000 0.200 57 N C 1.338 176.948 175.510 0.167 0.000 1.135 57 N CA 0.674 53.796 53.050 0.119 0.000 0.835 57 N CB 0.076 38.680 38.487 0.195 0.000 0.989 57 N HN 0.101 nan 8.380 nan 0.000 0.478 58 A N 0.689 123.572 122.820 0.105 0.000 1.972 58 A HA 0.101 4.387 4.320 -0.058 0.000 0.219 58 A C 2.369 180.004 177.584 0.085 0.000 1.169 58 A CA 1.483 53.580 52.037 0.100 0.000 0.635 58 A CB -0.847 18.154 19.000 0.002 0.000 0.810 58 A HN 0.443 nan 8.150 nan 0.000 0.446 59 A N -0.928 121.914 122.820 0.037 0.000 1.978 59 A HA -0.100 4.185 4.320 -0.058 0.000 0.220 59 A C 2.244 179.817 177.584 -0.019 0.000 1.170 59 A CA 2.227 54.265 52.037 0.001 0.000 0.636 59 A CB -1.210 17.781 19.000 -0.015 0.000 0.810 59 A HN 0.422 nan 8.150 nan 0.000 0.448 60 T N -0.840 113.687 114.554 -0.045 0.000 2.759 60 T HA -0.119 4.196 4.350 -0.058 0.000 0.269 60 T C 1.300 175.809 174.700 -0.317 0.000 1.042 60 T CA 1.861 63.817 62.100 -0.241 0.000 1.140 60 T CB -0.364 68.265 68.868 -0.398 0.000 0.864 60 T HN 0.528 nan 8.240 nan 0.000 0.455 61 F N -0.379 119.633 119.950 0.104 0.000 2.559 61 F HA 0.409 4.902 4.527 -0.056 0.000 0.286 61 F C 1.796 177.693 175.800 0.161 0.000 1.108 61 F CA 0.156 58.285 58.000 0.214 0.000 1.436 61 F CB 0.027 39.093 39.000 0.110 0.000 1.130 61 F HN 0.005 nan 8.300 nan 0.000 0.584 62 L N -1.021 120.292 121.223 0.150 0.000 2.513 62 L HA 0.360 4.666 4.340 -0.058 0.000 0.222 62 L C 1.905 178.790 176.870 0.026 0.000 1.096 62 L CA 0.768 55.615 54.840 0.010 0.000 0.857 62 L CB -0.294 41.663 42.059 -0.170 0.000 1.026 62 L HN 0.365 nan 8.230 nan 0.000 0.469 63 G N 0.428 109.240 108.800 0.019 0.000 2.225 63 G HA2 -0.254 3.671 3.960 -0.058 0.000 0.254 63 G HA3 -0.254 3.671 3.960 -0.058 0.000 0.254 63 G C 0.190 175.077 174.900 -0.022 0.000 0.988 63 G CA 0.305 45.399 45.100 -0.010 0.000 0.625 63 G HN 0.489 nan 8.290 nan 0.000 0.527 64 Q N -0.065 119.720 119.800 -0.025 0.000 2.394 64 Q HA 0.735 5.040 4.340 -0.058 0.000 0.273 64 Q C -0.786 175.197 176.000 -0.029 0.000 1.089 64 Q CA -1.101 54.685 55.803 -0.028 0.000 0.812 64 Q CB 2.070 30.790 28.738 -0.030 0.000 1.353 64 Q HN 0.143 nan 8.270 nan 0.000 0.438 65 E N 1.872 122.057 120.200 -0.025 0.000 2.392 65 E HA 0.052 4.368 4.350 -0.058 0.000 0.264 65 E C -1.806 174.780 176.600 -0.023 0.000 1.024 65 E CA -1.638 54.749 56.400 -0.021 0.000 0.903 65 E CB 0.764 30.453 29.700 -0.019 0.000 0.963 65 E HN 0.348 nan 8.360 nan 0.000 0.432 66 P HA -0.241 nan 4.420 nan 0.000 0.216 66 P C 1.215 178.502 177.300 -0.022 0.000 1.154 66 P CA 1.687 64.774 63.100 -0.021 0.000 0.865 66 P CB 0.035 31.727 31.700 -0.013 0.000 0.789 67 T N -1.781 112.762 114.554 -0.019 0.000 2.881 67 T HA -0.085 4.231 4.350 -0.058 0.000 0.270 67 T C 1.611 176.298 174.700 -0.022 0.000 1.068 67 T CA 0.997 63.086 62.100 -0.019 0.000 1.131 67 T CB -0.659 68.200 68.868 -0.016 0.000 0.871 67 T HN -0.188 nan 8.240 nan 0.000 0.479 68 V N 0.662 120.562 119.914 -0.024 0.000 2.535 68 V HA 0.113 4.198 4.120 -0.058 0.000 0.246 68 V C 2.515 178.590 176.094 -0.032 0.000 1.045 68 V CA 1.085 63.370 62.300 -0.026 0.000 1.058 68 V CB -0.341 31.467 31.823 -0.025 0.000 0.689 68 V HN 0.423 nan 8.190 nan 0.000 0.461 69 L N 0.332 121.534 121.223 -0.035 0.000 2.156 69 L HA 0.014 4.319 4.340 -0.058 0.000 0.208 69 L C 1.833 178.677 176.870 -0.043 0.000 1.095 69 L CA 0.703 55.518 54.840 -0.043 0.000 0.770 69 L CB -0.573 41.455 42.059 -0.052 0.000 0.914 69 L HN 0.366 nan 8.230 nan 0.000 0.439 70 R N 0.539 121.018 120.500 -0.036 0.000 2.585 70 R HA 0.352 4.657 4.340 -0.058 0.000 0.275 70 R C 1.313 177.590 176.300 -0.038 0.000 1.018 70 R CA 0.493 56.572 56.100 -0.035 0.000 1.072 70 R CB -1.204 29.079 30.300 -0.028 0.000 0.953 70 R HN 0.499 nan 8.270 nan 0.000 0.419 71 G N -0.059 108.715 108.800 -0.043 0.000 2.234 71 G HA2 -0.226 3.700 3.960 -0.058 0.000 0.260 71 G HA3 -0.226 3.700 3.960 -0.058 0.000 0.260 71 G C 0.351 175.214 174.900 -0.061 0.000 0.987 71 G CA 0.412 45.485 45.100 -0.046 0.000 0.625 71 G HN 0.831 nan 8.290 nan 0.000 0.532 72 Q N 1.354 121.113 119.800 -0.068 0.000 2.368 72 Q HA 0.486 4.792 4.340 -0.058 0.000 0.237 72 Q C 0.885 176.809 176.000 -0.127 0.000 0.987 72 Q CA 0.763 56.515 55.803 -0.085 0.000 0.896 72 Q CB 0.946 29.640 28.738 -0.073 0.000 1.241 72 Q HN 0.672 nan 8.270 nan 0.000 0.485 73 T N -2.005 112.449 114.554 -0.168 0.000 2.909 73 T HA 0.382 4.697 4.350 -0.058 0.000 0.286 73 T C 1.497 175.990 174.700 -0.344 0.000 1.002 73 T CA -0.735 61.195 62.100 -0.284 0.000 1.074 73 T CB 0.543 69.220 68.868 -0.318 0.000 0.984 73 T HN 0.500 nan 8.240 nan 0.000 0.495 74 L N 1.522 122.428 121.223 -0.529 0.000 2.261 74 L HA -0.046 4.260 4.340 -0.058 0.000 0.216 74 L C 3.027 179.582 176.870 -0.525 0.000 1.114 74 L CA 1.291 55.834 54.840 -0.495 0.000 0.777 74 L CB -0.897 40.829 42.059 -0.554 0.000 0.910 74 L HN 0.946 nan 8.230 nan 0.000 0.440 75 A N 0.041 122.381 122.820 -0.800 0.000 1.972 75 A HA -0.089 4.197 4.320 -0.058 0.000 0.219 75 A C 2.494 179.990 177.584 -0.148 0.000 1.169 75 A CA 1.688 53.463 52.037 -0.437 0.000 0.635 75 A CB -0.393 18.405 19.000 -0.336 0.000 0.810 75 A HN 0.406 nan 8.150 nan 0.000 0.446 76 A N -0.737 121.984 122.820 -0.165 0.000 1.911 76 A HA 0.259 4.544 4.320 -0.058 0.000 0.212 76 A C 2.076 179.629 177.584 -0.051 0.000 1.189 76 A CA 0.921 52.909 52.037 -0.082 0.000 0.639 76 A CB -0.345 18.604 19.000 -0.084 0.000 0.839 76 A HN 0.401 nan 8.150 nan 0.000 0.449 77 L N -1.024 120.157 121.223 -0.070 0.000 2.131 77 L HA 0.113 4.419 4.340 -0.058 0.000 0.206 77 L C 0.404 177.290 176.870 0.027 0.000 1.087 77 L CA 0.792 55.618 54.840 -0.024 0.000 0.767 77 L CB -0.104 41.934 42.059 -0.034 0.000 0.917 77 L HN 0.246 nan 8.230 nan 0.000 0.441 78 L N 0.633 121.880 121.223 0.040 0.000 2.732 78 L HA 0.210 4.515 4.340 -0.058 0.000 0.246 78 L C -1.599 175.350 176.870 0.130 0.000 1.407 78 L CA -1.022 53.884 54.840 0.109 0.000 0.861 78 L CB 0.819 42.976 42.059 0.164 0.000 1.161 78 L HN -0.118 nan 8.230 nan 0.000 0.510 79 P HA -0.159 nan 4.420 nan 0.000 0.220 79 P C 0.790 178.162 177.300 0.120 0.000 1.148 79 P CA 1.316 64.481 63.100 0.108 0.000 0.803 79 P CB 0.461 32.201 31.700 0.067 0.000 0.782 80 E N -0.093 120.171 120.200 0.106 0.000 2.107 80 E HA -0.145 4.170 4.350 -0.058 0.000 0.191 80 E C 1.997 178.659 176.600 0.104 0.000 0.982 80 E CA 1.072 57.528 56.400 0.092 0.000 0.809 80 E CB -0.587 29.163 29.700 0.083 0.000 0.756 80 E HN 0.282 nan 8.360 nan 0.000 0.459 81 Q N -0.892 118.992 119.800 0.140 0.000 2.392 81 Q HA 0.099 4.405 4.340 -0.058 0.000 0.219 81 Q C 1.315 177.364 176.000 0.081 0.000 0.895 81 Q CA 0.219 56.107 55.803 0.142 0.000 0.929 81 Q CB -0.149 28.718 28.738 0.214 0.000 1.077 81 Q HN 0.409 nan 8.270 nan 0.000 0.532 82 W N 2.315 123.580 121.300 -0.058 0.000 2.335 82 W HA -0.109 4.517 4.660 -0.057 0.000 0.311 82 W C -1.283 175.155 176.519 -0.134 0.000 1.213 82 W CA 1.192 58.477 57.345 -0.100 0.000 1.274 82 W CB -0.886 28.537 29.460 -0.061 0.000 1.148 82 W HN 0.121 nan 8.180 nan 0.000 0.498 83 P HA -0.180 nan 4.420 nan 0.000 0.215 83 P C 1.720 178.797 177.300 -0.371 0.000 1.153 83 P CA 3.278 66.148 63.100 -0.383 0.000 0.853 83 P CB -0.546 31.059 31.700 -0.158 0.000 0.788 84 A N -0.692 121.970 122.820 -0.264 0.000 1.933 84 A HA -0.166 4.120 4.320 -0.058 0.000 0.218 84 A C 2.243 179.492 177.584 -0.558 0.000 1.175 84 A CA 1.347 53.228 52.037 -0.260 0.000 0.628 84 A CB -1.670 17.301 19.000 -0.048 0.000 0.814 84 A HN 0.182 nan 8.150 nan 0.000 0.444 85 L N -0.835 119.896 121.223 -0.820 0.000 2.017 85 L HA -0.239 4.066 4.340 -0.058 0.000 0.208 85 L C 2.746 179.243 176.870 -0.622 0.000 1.073 85 L CA 1.811 56.042 54.840 -1.015 0.000 0.745 85 L CB -0.409 41.260 42.059 -0.651 0.000 0.894 85 L HN 0.470 nan 8.230 nan 0.000 0.432 86 Q N -0.445 118.922 119.800 -0.722 0.000 2.061 86 Q HA -0.254 4.051 4.340 -0.058 0.000 0.204 86 Q C 2.269 178.040 176.000 -0.382 0.000 0.984 86 Q CA 1.858 57.268 55.803 -0.655 0.000 0.846 86 Q CB -0.295 27.894 28.738 -0.916 0.000 0.902 86 Q HN 0.728 nan 8.270 nan 0.000 0.421 87 A N 0.759 123.372 122.820 -0.344 0.000 1.933 87 A HA -0.117 4.168 4.320 -0.058 0.000 0.218 87 A C 2.203 179.699 177.584 -0.146 0.000 1.175 87 A CA 1.643 53.556 52.037 -0.207 0.000 0.628 87 A CB -0.599 18.299 19.000 -0.169 0.000 0.814 87 A HN 0.421 nan 8.150 nan 0.000 0.444 88 A N -1.107 121.617 122.820 -0.161 0.000 2.014 88 A HA 0.322 4.608 4.320 -0.058 0.000 0.218 88 A C 1.062 178.621 177.584 -0.043 0.000 1.163 88 A CA 0.765 52.767 52.037 -0.058 0.000 0.652 88 A CB -0.215 18.806 19.000 0.036 0.000 0.808 88 A HN 0.426 nan 8.150 nan 0.000 0.449 89 L N 1.296 122.465 121.223 -0.090 0.000 2.637 89 L HA 0.282 4.588 4.340 -0.058 0.000 0.241 89 L C -2.669 174.167 176.870 -0.056 0.000 1.398 89 L CA -1.794 53.019 54.840 -0.046 0.000 0.895 89 L CB 1.315 43.357 42.059 -0.029 0.000 1.183 89 L HN 0.075 nan 8.230 nan 0.000 0.497 90 P HA 0.230 nan 4.420 nan 0.000 0.272 90 P C -2.560 174.732 177.300 -0.012 0.000 1.230 90 P CA -1.535 61.541 63.100 -0.040 0.000 0.788 90 P CB -0.123 31.556 31.700 -0.035 0.000 0.949 91 P HA -0.012 nan 4.420 nan 0.000 0.263 91 P C 1.105 178.411 177.300 0.009 0.000 1.175 91 P CA 1.623 64.730 63.100 0.011 0.000 0.761 91 P CB -0.300 31.408 31.700 0.014 0.000 0.794 92 G N 1.271 110.080 108.800 0.015 0.000 2.179 92 G HA2 -0.292 3.634 3.960 -0.058 0.000 0.260 92 G HA3 -0.292 3.634 3.960 -0.058 0.000 0.260 92 G C 0.470 175.380 174.900 0.016 0.000 0.977 92 G CA 0.019 45.127 45.100 0.015 0.000 0.641 92 G HN 0.873 nan 8.290 nan 0.000 0.533 93 C N -0.360 118.951 119.300 0.018 0.000 2.649 93 C HA 0.695 5.121 4.460 -0.058 0.000 0.377 93 C C -0.984 174.027 174.990 0.034 0.000 1.321 93 C CA -1.859 57.171 59.018 0.020 0.000 2.368 93 C CB 0.177 27.929 27.740 0.019 0.000 2.597 93 C HN 0.357 nan 8.230 nan 0.000 0.678 94 P HA 0.149 nan 4.420 nan 0.000 0.268 94 P C 0.296 177.642 177.300 0.077 0.000 1.205 94 P CA 0.385 63.506 63.100 0.036 0.000 0.771 94 P CB 0.483 32.193 31.700 0.017 0.000 0.858 95 D N 1.723 122.184 120.400 0.102 0.000 2.350 95 D HA -0.128 4.478 4.640 -0.058 0.000 0.216 95 D C 1.310 177.772 176.300 0.269 0.000 0.968 95 D CA 1.068 55.198 54.000 0.217 0.000 0.894 95 D CB -0.702 40.262 40.800 0.273 0.000 0.909 95 D HN 0.306 nan 8.370 nan 0.000 0.520 96 A N -0.292 122.612 122.820 0.140 0.000 2.178 96 A HA 0.205 4.490 4.320 -0.058 0.000 0.211 96 A C 0.965 178.591 177.584 0.070 0.000 1.157 96 A CA -0.319 51.785 52.037 0.112 0.000 0.780 96 A CB -0.419 18.592 19.000 0.019 0.000 0.828 96 A HN 0.290 nan 8.150 nan 0.000 0.476 97 L N 0.564 121.833 121.223 0.076 0.000 2.456 97 L HA 0.223 4.529 4.340 -0.058 0.000 0.272 97 L C -0.065 176.859 176.870 0.090 0.000 1.189 97 L CA 0.786 55.663 54.840 0.062 0.000 0.846 97 L CB 0.537 42.629 42.059 0.055 0.000 1.111 97 L HN 0.443 nan 8.230 nan 0.000 0.475 98 Q N 3.187 123.027 119.800 0.067 0.000 2.397 98 Q HA 0.320 4.625 4.340 -0.058 0.000 0.275 98 Q C -1.816 174.244 176.000 0.101 0.000 1.090 98 Q CA -0.729 55.123 55.803 0.081 0.000 0.809 98 Q CB 2.645 31.395 28.738 0.020 0.000 1.362 98 Q HN 0.612 nan 8.270 nan 0.000 0.431 99 Y N 1.356 121.647 120.300 -0.015 0.000 2.360 99 Y HA 0.580 5.099 4.550 -0.051 0.000 0.337 99 Y C -1.072 174.794 175.900 -0.056 0.000 1.039 99 Y CA -0.652 57.426 58.100 -0.037 0.000 1.109 99 Y CB 1.251 39.687 38.460 -0.040 0.000 1.201 99 Y HN 0.577 nan 8.280 nan 0.000 0.458 100 R N 4.400 124.458 120.500 -0.736 0.000 2.686 100 R HA 0.904 5.209 4.340 -0.058 0.000 0.286 100 R C -1.981 173.856 176.300 -0.771 0.000 0.969 100 R CA -0.655 55.086 56.100 -0.599 0.000 0.898 100 R CB 1.555 31.667 30.300 -0.314 0.000 1.183 100 R HN 0.860 nan 8.270 nan 0.000 0.456 101 A N 1.366 123.887 122.820 -0.500 0.000 2.587 101 A HA 0.542 4.827 4.320 -0.058 0.000 0.293 101 A C -1.182 176.286 177.584 -0.195 0.000 1.087 101 A CA -0.738 51.107 52.037 -0.321 0.000 0.692 101 A CB 1.882 20.765 19.000 -0.196 0.000 1.291 101 A HN 0.728 nan 8.150 nan 0.000 0.407 102 T N 0.274 114.734 114.554 -0.157 0.000 2.758 102 T HA 0.689 5.004 4.350 -0.058 0.000 0.285 102 T C -0.406 174.232 174.700 -0.104 0.000 0.981 102 T CA -0.426 61.583 62.100 -0.152 0.000 0.965 102 T CB 0.097 68.830 68.868 -0.225 0.000 0.927 102 T HN 0.519 nan 8.240 nan 0.000 0.448 103 L N 2.225 123.422 121.223 -0.043 0.000 2.334 103 L HA 0.614 4.920 4.340 -0.058 0.000 0.272 103 L C -0.136 176.792 176.870 0.096 0.000 1.020 103 L CA -1.231 53.634 54.840 0.041 0.000 0.812 103 L CB 1.251 43.378 42.059 0.114 0.000 1.264 103 L HN 0.585 nan 8.230 nan 0.000 0.439 104 D N 0.856 121.351 120.400 0.159 0.000 2.264 104 D HA 0.446 5.052 4.640 -0.058 0.000 0.249 104 D C -1.092 175.438 176.300 0.384 0.000 1.070 104 D CA 0.348 54.521 54.000 0.287 0.000 0.912 104 D CB 0.978 41.912 40.800 0.223 0.000 1.193 104 D HN 0.361 nan 8.370 nan 0.000 0.427 105 W N 1.342 122.703 121.300 0.101 0.000 3.372 105 W HA 0.392 5.020 4.660 -0.053 0.000 0.315 105 W C -2.716 173.828 176.519 0.041 0.000 1.223 105 W CA -2.532 54.854 57.345 0.068 0.000 1.202 105 W CB -0.337 29.172 29.460 0.083 0.000 1.367 105 W HN 0.214 nan 8.180 nan 0.000 0.531 106 P HA -0.029 nan 4.420 nan 0.000 0.227 106 P C 0.600 177.650 177.300 -0.417 0.000 1.145 106 P CA 2.142 65.122 63.100 -0.200 0.000 0.769 106 P CB 0.106 31.715 31.700 -0.152 0.000 0.769 107 A N -0.457 121.797 122.820 -0.943 0.000 2.247 107 A HA 0.698 4.984 4.320 -0.058 0.000 0.313 107 A C 0.258 177.497 177.584 -0.576 0.000 1.109 107 A CA -0.309 51.142 52.037 -0.976 0.000 0.890 107 A CB 0.131 18.181 19.000 -1.583 0.000 1.239 107 A HN 0.140 nan 8.150 nan 0.000 0.506 108 A N -1.023 121.647 122.820 -0.249 0.000 2.425 108 A HA 0.544 4.829 4.320 -0.058 0.000 0.242 108 A C 1.339 179.056 177.584 0.222 0.000 1.077 108 A CA 0.842 52.881 52.037 0.002 0.000 0.781 108 A CB -0.951 18.071 19.000 0.037 0.000 1.020 108 A HN 2.842 nan 8.150 nan 0.000 0.494 109 G N 1.156 109.951 108.800 -0.008 0.000 2.552 109 G HA2 -0.123 3.802 3.960 -0.058 0.000 0.265 109 G HA3 -0.123 3.802 3.960 -0.058 0.000 0.265 109 G C -0.056 174.697 174.900 -0.245 0.000 1.234 109 G CA 0.326 45.257 45.100 -0.282 0.000 0.944 109 G HN 1.502 nan 8.290 nan 0.000 0.568 110 H N -1.415 117.678 119.070 0.039 0.000 2.960 110 H HA 0.688 5.209 4.556 -0.058 0.000 0.303 110 H C -0.375 174.457 175.328 -0.825 0.000 1.412 110 H CA -0.744 55.179 56.048 -0.208 0.000 1.227 110 H CB 0.983 30.674 29.762 -0.118 0.000 1.912 110 H HN 0.507 nan 8.280 nan 0.000 0.583 111 L N 1.125 122.004 121.223 -0.574 0.000 2.307 111 L HA 0.281 4.586 4.340 -0.058 0.000 0.284 111 L C -0.057 176.687 176.870 -0.209 0.000 1.023 111 L CA -0.516 54.015 54.840 -0.515 0.000 0.810 111 L CB 1.611 43.480 42.059 -0.316 0.000 1.231 111 L HN 0.383 nan 8.230 nan 0.000 0.423 112 S N 3.963 119.541 115.700 -0.203 0.000 2.489 112 S HA 0.428 4.863 4.470 -0.058 0.000 0.277 112 S C -0.463 174.015 174.600 -0.203 0.000 1.230 112 S CA -0.442 57.654 58.200 -0.172 0.000 1.053 112 S CB 1.204 64.308 63.200 -0.161 0.000 0.955 112 S HN 0.323 nan 8.310 nan 0.000 0.488 113 L N 4.367 125.450 121.223 -0.234 0.000 2.296 113 L HA 0.607 4.912 4.340 -0.058 0.000 0.286 113 L C -0.475 176.220 176.870 -0.291 0.000 1.023 113 L CA 0.282 54.899 54.840 -0.372 0.000 0.812 113 L CB 1.334 43.208 42.059 -0.308 0.000 1.223 113 L HN 0.547 nan 8.230 nan 0.000 0.421 114 T N 4.639 119.023 114.554 -0.283 0.000 2.824 114 T HA 0.741 5.056 4.350 -0.058 0.000 0.282 114 T C -0.913 173.739 174.700 -0.080 0.000 0.993 114 T CA -0.447 61.560 62.100 -0.156 0.000 0.967 114 T CB 1.612 70.404 68.868 -0.126 0.000 0.960 114 T HN 0.379 nan 8.240 nan 0.000 0.441 115 V N 4.703 124.643 119.914 0.043 0.000 2.789 115 V HA 0.661 4.747 4.120 -0.058 0.000 0.311 115 V C -0.549 175.651 176.094 0.176 0.000 1.073 115 V CA -0.990 61.365 62.300 0.090 0.000 0.921 115 V CB 1.908 33.806 31.823 0.125 0.000 1.009 115 V HN 1.064 nan 8.190 nan 0.000 0.426 116 H N 2.793 121.872 119.070 0.015 0.000 2.977 116 H HA 0.686 5.208 4.556 -0.056 0.000 0.350 116 H C -1.359 173.988 175.328 0.031 0.000 1.238 116 H CA -1.190 54.875 56.048 0.028 0.000 1.124 116 H CB 2.350 32.126 29.762 0.023 0.000 1.866 116 H HN 0.636 nan 8.280 nan 0.000 0.550 117 R N 1.524 122.041 120.500 0.028 0.000 2.494 117 R HA 0.551 4.857 4.340 -0.058 0.000 0.305 117 R C -1.762 174.560 176.300 0.037 0.000 0.959 117 R CA -0.792 55.292 56.100 -0.026 0.000 0.864 117 R CB 1.608 31.922 30.300 0.023 0.000 1.159 117 R HN 0.401 nan 8.270 nan 0.000 0.446 118 V N 5.292 125.202 119.914 -0.007 0.000 2.409 118 V HA 0.441 4.527 4.120 -0.058 0.000 0.290 118 V C 0.930 177.048 176.094 0.040 0.000 1.017 118 V CA 0.294 62.629 62.300 0.058 0.000 0.841 118 V CB 0.933 32.800 31.823 0.074 0.000 1.003 118 V HN 1.165 nan 8.190 nan 0.000 0.426 119 G N 5.076 113.906 108.800 0.051 0.000 2.629 119 G HA2 -0.258 3.667 3.960 -0.058 0.000 0.313 119 G HA3 -0.258 3.667 3.960 -0.058 0.000 0.313 119 G C 0.495 175.415 174.900 0.034 0.000 1.217 119 G CA 0.625 45.750 45.100 0.041 0.000 0.994 119 G HN 0.632 nan 8.290 nan 0.000 0.549 120 E N 0.181 120.401 120.200 0.034 0.000 2.444 120 E HA 0.355 4.670 4.350 -0.058 0.000 0.191 120 E C 0.352 176.977 176.600 0.041 0.000 1.041 120 E CA -0.095 56.330 56.400 0.041 0.000 0.883 120 E CB 0.415 30.139 29.700 0.040 0.000 1.024 120 E HN 0.319 nan 8.360 nan 0.000 0.470 121 L N 0.911 122.147 121.223 0.021 0.000 2.329 121 L HA 0.371 4.676 4.340 -0.058 0.000 0.279 121 L C -0.849 176.002 176.870 -0.031 0.000 1.014 121 L CA -0.607 54.234 54.840 0.002 0.000 0.814 121 L CB 1.185 43.236 42.059 -0.012 0.000 1.257 121 L HN -0.105 nan 8.230 nan 0.000 0.424 122 L N 5.891 127.103 121.223 -0.018 0.000 2.289 122 L HA 0.507 4.812 4.340 -0.058 0.000 0.285 122 L C -0.604 176.204 176.870 -0.104 0.000 1.049 122 L CA -0.323 54.486 54.840 -0.052 0.000 0.804 122 L CB 1.335 43.421 42.059 0.044 0.000 1.195 122 L HN 0.501 nan 8.230 nan 0.000 0.428 123 I N 4.521 124.951 120.570 -0.233 0.000 2.382 123 I HA 0.312 4.448 4.170 -0.058 0.000 0.286 123 I C -0.937 175.105 176.117 -0.126 0.000 1.002 123 I CA -0.517 60.651 61.300 -0.221 0.000 1.135 123 I CB 1.721 39.475 38.000 -0.410 0.000 1.288 123 I HN 0.334 nan 8.210 nan 0.000 0.448 124 L N 7.133 128.320 121.223 -0.060 0.000 2.298 124 L HA 0.416 4.722 4.340 -0.058 0.000 0.284 124 L C -0.229 176.543 176.870 -0.164 0.000 1.013 124 L CA -0.164 54.597 54.840 -0.131 0.000 0.824 124 L CB 1.356 43.368 42.059 -0.078 0.000 1.221 124 L HN 0.496 nan 8.230 nan 0.000 0.418 125 E N 3.379 123.410 120.200 -0.281 0.000 2.166 125 E HA 0.524 4.839 4.350 -0.058 0.000 0.275 125 E C -1.391 174.943 176.600 -0.443 0.000 0.941 125 E CA -0.472 55.790 56.400 -0.229 0.000 0.784 125 E CB 1.600 31.209 29.700 -0.152 0.000 1.115 125 E HN 0.225 nan 8.360 nan 0.000 0.399 126 F N 2.206 122.041 119.950 -0.192 0.000 2.449 126 F HA 0.277 4.771 4.527 -0.054 0.000 0.342 126 F C 0.197 175.779 175.800 -0.363 0.000 1.127 126 F CA -0.804 57.062 58.000 -0.225 0.000 0.975 126 F CB 1.456 40.354 39.000 -0.169 0.000 1.146 126 F HN 0.355 nan 8.300 nan 0.000 0.444 127 E N 3.117 123.214 120.200 -0.171 0.000 2.314 127 E HA 0.584 4.899 4.350 -0.058 0.000 0.272 127 E C -3.253 173.213 176.600 -0.223 0.000 0.884 127 E CA -2.851 53.412 56.400 -0.229 0.000 0.753 127 E CB 2.473 32.074 29.700 -0.166 0.000 1.213 127 E HN 0.122 nan 8.360 nan 0.000 0.432 128 P HA 0.061 nan 4.420 nan 0.000 0.268 128 P C -0.837 176.368 177.300 -0.159 0.000 1.205 128 P CA 0.168 63.088 63.100 -0.300 0.000 0.771 128 P CB 0.700 32.448 31.700 0.080 0.000 0.858 129 T N -1.076 113.356 114.554 -0.203 0.000 2.952 129 T HA 0.467 4.783 4.350 -0.058 0.000 0.305 129 T C -0.582 173.987 174.700 -0.219 0.000 1.064 129 T CA -0.985 61.024 62.100 -0.152 0.000 1.008 129 T CB 1.239 70.032 68.868 -0.126 0.000 1.078 129 T HN 0.172 nan 8.240 nan 0.000 0.459 130 E N 0.657 120.652 120.200 -0.342 0.000 2.319 130 E HA 0.572 4.888 4.350 -0.058 0.000 0.268 130 E C 1.335 177.494 176.600 -0.735 0.000 1.050 130 E CA -0.427 55.537 56.400 -0.728 0.000 0.878 130 E CB 1.212 30.224 29.700 -1.146 0.000 1.066 130 E HN 0.792 nan 8.360 nan 0.000 0.406 131 A N 2.392 124.710 122.820 -0.836 0.000 1.865 131 A HA -0.187 4.098 4.320 -0.058 0.000 0.217 131 A C 1.639 179.125 177.584 -0.162 0.000 1.191 131 A CA 1.835 53.693 52.037 -0.299 0.000 0.623 131 A CB -0.984 17.965 19.000 -0.084 0.000 0.826 131 A HN 0.895 nan 8.150 nan 0.000 0.444 132 W N -0.450 120.880 121.300 0.049 0.000 2.848 132 W HA 0.167 4.792 4.660 -0.059 0.000 0.241 132 W C -0.068 176.472 176.519 0.035 0.000 1.289 132 W CA 0.407 57.775 57.345 0.038 0.000 1.396 132 W CB -0.393 29.083 29.460 0.027 0.000 1.138 132 W HN 0.162 nan 8.180 nan 0.000 0.677 133 D N 0.862 121.136 120.400 -0.210 0.000 2.434 133 D HA 0.063 4.669 4.640 -0.058 0.000 0.232 133 D C -0.097 176.183 176.300 -0.034 0.000 1.166 133 D CA 0.310 54.258 54.000 -0.086 0.000 0.830 133 D CB 0.101 40.795 40.800 -0.176 0.000 0.960 133 D HN -0.020 nan 8.370 nan 0.000 0.497 134 S N -0.573 115.131 115.700 0.006 0.000 2.586 134 S HA 0.413 4.848 4.470 -0.058 0.000 0.274 134 S C 0.293 174.909 174.600 0.028 0.000 1.281 134 S CA -0.199 58.007 58.200 0.010 0.000 1.035 134 S CB 1.769 64.981 63.200 0.019 0.000 0.962 134 S HN -0.018 nan 8.310 nan 0.000 0.512 135 T N 2.253 116.815 114.554 0.014 0.000 2.840 135 T HA 0.532 4.847 4.350 -0.058 0.000 0.287 135 T C 0.536 175.250 174.700 0.024 0.000 0.991 135 T CA -0.568 61.547 62.100 0.025 0.000 0.964 135 T CB 1.312 70.189 68.868 0.015 0.000 0.954 135 T HN 0.687 nan 8.240 nan 0.000 0.438 136 G N 3.149 111.976 108.800 0.045 0.000 2.651 136 G HA2 0.364 4.289 3.960 -0.058 0.000 0.260 136 G HA3 0.364 4.289 3.960 -0.058 0.000 0.260 136 G C -1.025 173.910 174.900 0.059 0.000 1.216 136 G CA -1.204 43.931 45.100 0.059 0.000 0.913 136 G HN 0.442 nan 8.290 nan 0.000 0.535 137 P HA -0.117 nan 4.420 nan 0.000 0.226 137 P C 1.064 178.360 177.300 -0.005 0.000 1.153 137 P CA 0.993 64.099 63.100 0.009 0.000 0.777 137 P CB 0.091 31.787 31.700 -0.006 0.000 0.794 138 H N 0.168 119.237 119.070 -0.001 0.000 2.423 138 H HA 0.002 4.532 4.556 -0.044 0.000 0.297 138 H C 2.035 177.367 175.328 0.008 0.000 1.075 138 H CA 1.366 57.420 56.048 0.010 0.000 1.342 138 H CB -0.151 29.627 29.762 0.026 0.000 1.395 138 H HN 0.080 nan 8.280 nan 0.000 0.530 139 A N 1.223 124.110 122.820 0.111 0.000 1.869 139 A HA -0.212 4.073 4.320 -0.058 0.000 0.218 139 A C 2.488 180.080 177.584 0.013 0.000 1.203 139 A CA 1.879 53.954 52.037 0.064 0.000 0.638 139 A CB -0.953 18.075 19.000 0.045 0.000 0.831 139 A HN 0.359 nan 8.150 nan 0.000 0.450 140 L N -0.572 120.637 121.223 -0.023 0.000 2.056 140 L HA -0.083 4.222 4.340 -0.058 0.000 0.207 140 L C 2.494 179.289 176.870 -0.126 0.000 1.078 140 L CA 2.227 57.029 54.840 -0.063 0.000 0.749 140 L CB -0.531 41.488 42.059 -0.066 0.000 0.901 140 L HN 0.436 nan 8.230 nan 0.000 0.433 141 R N -0.071 120.330 120.500 -0.164 0.000 2.083 141 R HA -0.185 4.120 4.340 -0.058 0.000 0.237 141 R C 1.897 178.005 176.300 -0.321 0.000 1.137 141 R CA 1.891 57.825 56.100 -0.276 0.000 0.951 141 R CB -0.664 29.426 30.300 -0.350 0.000 0.851 141 R HN 0.477 nan 8.270 nan 0.000 0.434 142 N N 0.665 119.300 118.700 -0.109 0.000 2.244 142 N HA -0.081 4.624 4.740 -0.058 0.000 0.183 142 N C 1.559 177.096 175.510 0.045 0.000 1.016 142 N CA 1.354 54.455 53.050 0.085 0.000 0.866 142 N CB -0.291 38.319 38.487 0.204 0.000 0.980 142 N HN 0.323 nan 8.380 nan 0.000 0.430 143 A N 0.710 123.512 122.820 -0.030 0.000 2.015 143 A HA -0.043 4.243 4.320 -0.058 0.000 0.219 143 A C 2.210 179.751 177.584 -0.073 0.000 1.163 143 A CA 0.874 52.903 52.037 -0.015 0.000 0.646 143 A CB -0.412 18.579 19.000 -0.015 0.000 0.806 143 A HN 0.201 nan 8.150 nan 0.000 0.448 144 M N -1.552 117.914 119.600 -0.224 0.000 2.213 144 M HA -0.106 4.339 4.480 -0.058 0.000 0.263 144 M C 1.770 177.949 176.300 -0.201 0.000 1.062 144 M CA 1.395 56.540 55.300 -0.258 0.000 1.105 144 M CB -0.505 31.866 32.600 -0.382 0.000 1.385 144 M HN 0.543 nan 8.290 nan 0.000 0.417 145 F N 0.175 120.119 119.950 -0.011 0.000 2.069 145 F HA -0.234 4.275 4.527 -0.029 0.000 0.298 145 F C 2.659 178.456 175.800 -0.005 0.000 1.113 145 F CA 1.212 59.207 58.000 -0.008 0.000 1.214 145 F CB -0.703 38.296 39.000 -0.002 0.000 0.978 145 F HN 0.139 nan 8.300 nan 0.000 0.474 146 A N 0.107 123.038 122.820 0.185 0.000 1.969 146 A HA -0.077 4.208 4.320 -0.058 0.000 0.218 146 A C 2.189 179.809 177.584 0.059 0.000 1.169 146 A CA 0.999 53.099 52.037 0.105 0.000 0.635 146 A CB -0.791 18.261 19.000 0.086 0.000 0.810 146 A HN 0.342 nan 8.150 nan 0.000 0.445 147 L N 0.199 121.443 121.223 0.034 0.000 2.056 147 L HA -0.205 4.100 4.340 -0.058 0.000 0.207 147 L C 2.725 179.598 176.870 0.006 0.000 1.078 147 L CA 2.146 56.989 54.840 0.006 0.000 0.749 147 L CB -1.132 40.914 42.059 -0.022 0.000 0.901 147 L HN 0.748 nan 8.230 nan 0.000 0.433 148 E N 0.109 120.319 120.200 0.016 0.000 2.150 148 E HA -0.171 4.144 4.350 -0.058 0.000 0.193 148 E C 1.967 178.585 176.600 0.030 0.000 0.985 148 E CA 1.454 57.865 56.400 0.020 0.000 0.814 148 E CB -0.247 29.471 29.700 0.031 0.000 0.752 148 E HN 0.459 nan 8.360 nan 0.000 0.466 149 S N 0.899 116.627 115.700 0.047 0.000 2.527 149 S HA 0.248 4.683 4.470 -0.058 0.000 0.222 149 S C 1.167 175.778 174.600 0.018 0.000 0.985 149 S CA -0.046 58.175 58.200 0.035 0.000 0.921 149 S CB -0.042 63.185 63.200 0.046 0.000 0.772 149 S HN 0.416 nan 8.310 nan 0.000 0.529 150 A N 3.752 126.582 122.820 0.016 0.000 2.566 150 A HA 0.348 4.633 4.320 -0.058 0.000 0.245 150 A C -0.546 177.036 177.584 -0.003 0.000 1.056 150 A CA -0.897 51.145 52.037 0.009 0.000 0.757 150 A CB 0.049 19.055 19.000 0.010 0.000 0.979 150 A HN 0.432 nan 8.150 nan 0.000 0.508 151 P HA -0.008 nan 4.420 nan 0.000 0.236 151 P C -0.263 177.023 177.300 -0.024 0.000 1.177 151 P CA 0.967 64.056 63.100 -0.018 0.000 0.773 151 P CB -0.075 31.619 31.700 -0.011 0.000 0.878 152 N N -2.665 116.030 118.700 -0.008 0.000 3.106 152 N HA 0.064 4.770 4.740 -0.058 0.000 0.253 152 N C 0.299 175.821 175.510 0.020 0.000 1.506 152 N CA -0.862 52.188 53.050 0.001 0.000 0.876 152 N CB -0.249 38.243 38.487 0.009 0.000 1.452 152 N HN -0.402 nan 8.380 nan 0.000 0.542 153 L N 0.014 121.261 121.223 0.041 0.000 2.046 153 L HA 0.080 4.385 4.340 -0.058 0.000 0.208 153 L C 2.249 179.165 176.870 0.078 0.000 1.077 153 L CA 1.834 56.714 54.840 0.066 0.000 0.747 153 L CB -0.869 41.259 42.059 0.115 0.000 0.896 153 L HN 0.881 nan 8.230 nan 0.000 0.432 154 R N -0.653 119.890 120.500 0.071 0.000 2.092 154 R HA -0.109 4.196 4.340 -0.058 0.000 0.231 154 R C 2.201 178.534 176.300 0.056 0.000 1.119 154 R CA 1.309 57.451 56.100 0.070 0.000 0.970 154 R CB -0.063 30.271 30.300 0.057 0.000 0.864 154 R HN 0.365 nan 8.270 nan 0.000 0.440 155 A N 1.145 123.989 122.820 0.041 0.000 1.902 155 A HA -0.162 4.123 4.320 -0.058 0.000 0.217 155 A C 2.018 179.621 177.584 0.032 0.000 1.181 155 A CA 1.218 53.275 52.037 0.033 0.000 0.623 155 A CB -0.601 18.413 19.000 0.023 0.000 0.818 155 A HN 0.391 nan 8.150 nan 0.000 0.443 156 L N -0.081 121.159 121.223 0.027 0.000 2.012 156 L HA -0.113 4.193 4.340 -0.058 0.000 0.210 156 L C 2.638 179.526 176.870 0.030 0.000 1.073 156 L CA 2.336 57.186 54.840 0.017 0.000 0.748 156 L CB -0.832 41.225 42.059 -0.003 0.000 0.891 156 L HN 0.342 nan 8.230 nan 0.000 0.431 157 A N -0.755 122.099 122.820 0.056 0.000 1.908 157 A HA -0.241 4.044 4.320 -0.058 0.000 0.218 157 A C 2.162 179.785 177.584 0.064 0.000 1.181 157 A CA 1.918 54.002 52.037 0.079 0.000 0.627 157 A CB -0.691 18.384 19.000 0.124 0.000 0.818 157 A HN 0.640 nan 8.150 nan 0.000 0.445 158 E N -0.815 119.419 120.200 0.057 0.000 2.077 158 E HA -0.132 4.183 4.350 -0.058 0.000 0.193 158 E C 1.979 178.605 176.600 0.045 0.000 0.989 158 E CA 1.197 57.627 56.400 0.050 0.000 0.800 158 E CB -0.328 29.399 29.700 0.045 0.000 0.746 158 E HN 0.375 nan 8.360 nan 0.000 0.452 159 V N 0.988 120.926 119.914 0.039 0.000 2.427 159 V HA -0.211 3.874 4.120 -0.058 0.000 0.248 159 V C 2.145 178.261 176.094 0.037 0.000 1.051 159 V CA 1.869 64.191 62.300 0.037 0.000 1.048 159 V CB -0.283 31.561 31.823 0.034 0.000 0.666 159 V HN 0.320 nan 8.190 nan 0.000 0.456 160 A N 0.191 123.031 122.820 0.033 0.000 1.877 160 A HA -0.236 4.049 4.320 -0.058 0.000 0.216 160 A C 2.478 180.087 177.584 0.042 0.000 1.186 160 A CA 2.861 54.916 52.037 0.030 0.000 0.620 160 A CB -1.230 17.783 19.000 0.023 0.000 0.822 160 A HN 0.710 nan 8.150 nan 0.000 0.443 161 T N -2.641 111.943 114.554 0.049 0.000 2.777 161 T HA -0.193 4.122 4.350 -0.058 0.000 0.266 161 T C 1.947 176.682 174.700 0.060 0.000 1.040 161 T CA 1.639 63.771 62.100 0.053 0.000 1.141 161 T CB -0.356 68.543 68.868 0.053 0.000 0.868 161 T HN 0.391 nan 8.240 nan 0.000 0.444 162 Q N 1.431 121.264 119.800 0.055 0.000 2.084 162 Q HA -0.051 4.255 4.340 -0.058 0.000 0.202 162 Q C 2.330 178.367 176.000 0.061 0.000 0.978 162 Q CA 2.168 58.005 55.803 0.057 0.000 0.844 162 Q CB -1.137 27.631 28.738 0.050 0.000 0.898 162 Q HN 0.589 nan 8.270 nan 0.000 0.426 163 T N -0.405 114.182 114.554 0.054 0.000 2.777 163 T HA -0.084 4.231 4.350 -0.058 0.000 0.266 163 T C 1.748 176.486 174.700 0.063 0.000 1.040 163 T CA 1.385 63.517 62.100 0.053 0.000 1.141 163 T CB -0.318 68.574 68.868 0.041 0.000 0.868 163 T HN 0.105 nan 8.240 nan 0.000 0.444 164 V N 1.312 121.267 119.914 0.068 0.000 2.427 164 V HA -0.122 3.963 4.120 -0.058 0.000 0.248 164 V C 2.578 178.751 176.094 0.131 0.000 1.051 164 V CA 1.613 63.968 62.300 0.092 0.000 1.048 164 V CB -0.573 31.302 31.823 0.086 0.000 0.666 164 V HN 0.338 nan 8.190 nan 0.000 0.456 165 R N 0.191 120.767 120.500 0.127 0.000 2.081 165 R HA -0.183 4.122 4.340 -0.058 0.000 0.235 165 R C 2.258 178.628 176.300 0.117 0.000 1.131 165 R CA 1.844 58.036 56.100 0.153 0.000 0.960 165 R CB -0.175 30.203 30.300 0.130 0.000 0.856 165 R HN 0.610 nan 8.270 nan 0.000 0.436 166 E N 0.269 120.521 120.200 0.087 0.000 2.077 166 E HA -0.195 4.121 4.350 -0.058 0.000 0.193 166 E C 2.009 178.646 176.600 0.062 0.000 0.989 166 E CA 1.313 57.754 56.400 0.068 0.000 0.800 166 E CB -0.063 29.673 29.700 0.059 0.000 0.746 166 E HN 0.363 nan 8.360 nan 0.000 0.452 167 L N 0.453 121.715 121.223 0.066 0.000 2.141 167 L HA -0.121 4.185 4.340 -0.058 0.000 0.209 167 L C 2.572 179.468 176.870 0.044 0.000 1.094 167 L CA 1.513 56.385 54.840 0.054 0.000 0.763 167 L CB -0.295 41.796 42.059 0.053 0.000 0.908 167 L HN 0.331 nan 8.230 nan 0.000 0.437 168 T N -5.699 108.889 114.554 0.057 0.000 3.000 168 T HA 0.230 4.545 4.350 -0.058 0.000 0.248 168 T C 1.517 176.182 174.700 -0.058 0.000 1.034 168 T CA 0.511 62.602 62.100 -0.015 0.000 1.060 168 T CB 0.750 69.626 68.868 0.013 0.000 0.983 168 T HN 0.330 nan 8.240 nan 0.000 0.482 169 G N 1.240 110.055 108.800 0.024 0.000 2.168 169 G HA2 -0.232 3.693 3.960 -0.058 0.000 0.263 169 G HA3 -0.232 3.693 3.960 -0.058 0.000 0.263 169 G C -0.066 174.905 174.900 0.118 0.000 0.977 169 G CA -0.054 45.062 45.100 0.028 0.000 0.659 169 G HN 0.523 nan 8.290 nan 0.000 0.533 170 F N 1.379 121.434 119.950 0.175 0.000 2.595 170 F HA 0.237 4.727 4.527 -0.063 0.000 0.359 170 F C 1.734 177.709 175.800 0.292 0.000 1.147 170 F CA 0.264 58.435 58.000 0.284 0.000 1.341 170 F CB 0.517 39.643 39.000 0.210 0.000 1.104 170 F HN -0.001 nan 8.300 nan 0.000 0.603 171 D N 0.906 121.690 120.400 0.640 0.000 2.178 171 D HA -0.142 4.464 4.640 -0.058 0.000 0.201 171 D C 0.865 177.290 176.300 0.208 0.000 0.980 171 D CA 1.448 55.611 54.000 0.271 0.000 0.842 171 D CB 0.145 41.009 40.800 0.107 0.000 0.948 171 D HN 0.356 nan 8.370 nan 0.000 0.472 172 R N -0.179 120.455 120.500 0.223 0.000 2.564 172 R HA 0.439 4.744 4.340 -0.058 0.000 0.284 172 R C -1.966 174.334 176.300 -0.000 0.000 1.031 172 R CA -0.419 55.737 56.100 0.093 0.000 0.904 172 R CB 1.980 32.324 30.300 0.073 0.000 1.199 172 R HN -0.263 nan 8.270 nan 0.000 0.443 173 V N 5.728 125.644 119.914 0.004 0.000 2.525 173 V HA 0.486 4.571 4.120 -0.058 0.000 0.299 173 V C -0.310 175.767 176.094 -0.027 0.000 1.034 173 V CA -0.613 61.665 62.300 -0.037 0.000 0.863 173 V CB 1.844 33.693 31.823 0.044 0.000 0.999 173 V HN 0.778 nan 8.190 nan 0.000 0.423 174 M N 4.629 124.189 119.600 -0.068 0.000 2.598 174 M HA 0.620 5.065 4.480 -0.058 0.000 0.317 174 M C -1.268 175.045 176.300 0.022 0.000 1.179 174 M CA -0.909 54.385 55.300 -0.009 0.000 0.936 174 M CB 2.435 35.015 32.600 -0.033 0.000 1.713 174 M HN 0.446 nan 8.290 nan 0.000 0.460 175 L N 2.330 123.593 121.223 0.068 0.000 2.280 175 L HA 0.400 4.706 4.340 -0.058 0.000 0.287 175 L C -1.736 175.190 176.870 0.093 0.000 1.023 175 L CA -0.160 54.742 54.840 0.102 0.000 0.819 175 L CB 0.544 42.689 42.059 0.142 0.000 1.212 175 L HN 0.564 nan 8.230 nan 0.000 0.420 176 Y N 5.358 125.597 120.300 -0.102 0.000 2.369 176 Y HA 0.409 4.923 4.550 -0.060 0.000 0.337 176 Y C -0.250 175.418 175.900 -0.387 0.000 0.961 176 Y CA -0.443 57.515 58.100 -0.236 0.000 1.186 176 Y CB 0.753 39.031 38.460 -0.303 0.000 1.139 176 Y HN 0.600 nan 8.280 nan 0.000 0.494 177 K N 6.535 126.495 120.400 -0.734 0.000 2.185 177 K HA 0.355 4.640 4.320 -0.058 0.000 0.269 177 K C -1.455 174.608 176.600 -0.896 0.000 0.987 177 K CA -0.528 55.256 56.287 -0.838 0.000 0.865 177 K CB 0.655 32.667 32.500 -0.812 0.000 1.090 177 K HN 0.588 nan 8.250 nan 0.000 0.450 178 F N 2.387 122.041 119.950 -0.493 0.000 2.412 178 F HA 0.289 4.780 4.527 -0.060 0.000 0.348 178 F C 0.945 176.553 175.800 -0.319 0.000 1.102 178 F CA -0.400 57.403 58.000 -0.329 0.000 1.196 178 F CB 1.170 40.071 39.000 -0.165 0.000 1.144 178 F HN 0.535 nan 8.300 nan 0.000 0.541 179 A N 4.481 127.281 122.820 -0.033 0.000 2.257 179 A HA 0.479 4.764 4.320 -0.058 0.000 0.289 179 A C -1.683 175.896 177.584 -0.008 0.000 1.095 179 A CA -1.411 50.593 52.037 -0.054 0.000 0.836 179 A CB 0.175 19.141 19.000 -0.057 0.000 1.111 179 A HN 0.573 nan 8.150 nan 0.000 0.497 180 P HA -0.122 nan 4.420 nan 0.000 0.219 180 P C 0.291 177.584 177.300 -0.011 0.000 1.146 180 P CA 1.560 64.650 63.100 -0.016 0.000 0.808 180 P CB -0.036 31.655 31.700 -0.016 0.000 0.779 181 D N -1.219 119.179 120.400 -0.003 0.000 2.324 181 D HA 0.177 4.782 4.640 -0.058 0.000 0.235 181 D C 0.971 177.283 176.300 0.021 0.000 1.095 181 D CA 0.243 54.245 54.000 0.003 0.000 0.871 181 D CB -0.781 40.022 40.800 0.005 0.000 0.906 181 D HN 0.134 nan 8.370 nan 0.000 0.522 182 A N -0.598 122.245 122.820 0.038 0.000 3.396 182 A HA -0.218 4.067 4.320 -0.058 0.000 0.267 182 A C 1.093 178.800 177.584 0.205 0.000 1.139 182 A CA 1.404 53.495 52.037 0.090 0.000 1.115 182 A CB -2.917 16.083 19.000 0.000 0.000 1.133 182 A HN 0.738 nan 8.150 nan 0.000 0.920 183 T N -1.887 112.747 114.554 0.133 0.000 2.748 183 T HA 0.550 4.866 4.350 -0.058 0.000 0.304 183 T C 0.643 175.392 174.700 0.083 0.000 1.041 183 T CA 0.329 62.511 62.100 0.136 0.000 1.033 183 T CB 1.584 70.490 68.868 0.063 0.000 0.995 183 T HN 1.995 nan 8.240 nan 0.000 0.536 184 G N -0.592 108.211 108.800 0.005 0.000 2.605 184 G HA2 0.583 4.508 3.960 -0.058 0.000 0.296 184 G HA3 0.583 4.508 3.960 -0.058 0.000 0.296 184 G C -1.675 172.971 174.900 -0.423 0.000 1.304 184 G CA -0.835 43.927 45.100 -0.562 0.000 0.941 184 G HN 0.945 nan 8.290 nan 0.000 0.475 185 E N 0.123 119.926 120.200 -0.661 0.000 2.292 185 E HA 0.440 4.755 4.350 -0.058 0.000 0.272 185 E C -1.146 175.332 176.600 -0.205 0.000 0.881 185 E CA -0.678 55.578 56.400 -0.241 0.000 0.754 185 E CB 2.631 32.227 29.700 -0.173 0.000 1.201 185 E HN 0.230 nan 8.360 nan 0.000 0.425 186 V N 6.723 126.712 119.914 0.125 0.000 2.387 186 V HA 0.068 4.154 4.120 -0.058 0.000 0.260 186 V C 1.169 177.316 176.094 0.089 0.000 1.054 186 V CA 0.286 62.682 62.300 0.161 0.000 0.967 186 V CB 0.044 32.039 31.823 0.287 0.000 1.036 186 V HN 0.645 nan 8.190 nan 0.000 0.481 187 I N 2.163 122.753 120.570 0.034 0.000 3.860 187 I HA 0.685 4.820 4.170 -0.058 0.000 0.319 187 I C 0.752 176.911 176.117 0.069 0.000 1.279 187 I CA 0.323 61.646 61.300 0.038 0.000 1.220 187 I CB 0.284 38.289 38.000 0.008 0.000 1.027 187 I HN 0.511 nan 8.210 nan 0.000 0.428 188 A N 1.009 123.877 122.820 0.080 0.000 2.612 188 A HA 0.783 5.069 4.320 -0.058 0.000 0.293 188 A C -1.224 176.406 177.584 0.076 0.000 1.075 188 A CA -0.442 51.641 52.037 0.077 0.000 0.680 188 A CB 1.584 20.631 19.000 0.077 0.000 1.279 188 A HN 0.320 nan 8.150 nan 0.000 0.411 189 E N 0.313 120.553 120.200 0.067 0.000 2.347 189 E HA 0.588 4.904 4.350 -0.058 0.000 0.285 189 E C -1.242 175.389 176.600 0.051 0.000 0.925 189 E CA -0.491 55.945 56.400 0.060 0.000 0.779 189 E CB 1.823 31.567 29.700 0.073 0.000 1.233 189 E HN 1.430 nan 8.360 nan 0.000 0.414 190 A N 4.538 127.388 122.820 0.049 0.000 2.318 190 A HA 0.841 5.126 4.320 -0.058 0.000 0.317 190 A C -0.708 176.909 177.584 0.056 0.000 1.159 190 A CA -0.688 51.381 52.037 0.052 0.000 0.799 190 A CB 0.745 19.782 19.000 0.061 0.000 1.194 190 A HN 0.684 nan 8.150 nan 0.000 0.479 191 R N 1.096 121.624 120.500 0.047 0.000 2.739 191 R HA 0.715 5.020 4.340 -0.058 0.000 0.271 191 R C -0.606 175.716 176.300 0.038 0.000 1.010 191 R CA -1.121 55.007 56.100 0.046 0.000 0.897 191 R CB 1.028 31.339 30.300 0.018 0.000 1.236 191 R HN 0.526 nan 8.270 nan 0.000 0.466 192 R N 1.362 121.887 120.500 0.041 0.000 2.585 192 R HA 0.128 4.433 4.340 -0.058 0.000 0.275 192 R C -0.244 176.059 176.300 0.006 0.000 1.018 192 R CA 1.264 57.380 56.100 0.026 0.000 1.072 192 R CB 0.170 30.482 30.300 0.019 0.000 0.953 192 R HN 0.791 nan 8.270 nan 0.000 0.419 193 E N 2.090 122.292 120.200 0.004 0.000 2.529 193 E HA 0.311 4.627 4.350 -0.058 0.000 0.259 193 E C 1.317 177.909 176.600 -0.013 0.000 0.966 193 E CA 0.383 56.780 56.400 -0.004 0.000 0.937 193 E CB -0.245 29.455 29.700 -0.001 0.000 0.923 193 E HN 1.001 nan 8.360 nan 0.000 0.468 194 G N 1.301 110.089 108.800 -0.020 0.000 2.258 194 G HA2 -0.233 3.692 3.960 -0.058 0.000 0.233 194 G HA3 -0.233 3.692 3.960 -0.058 0.000 0.233 194 G C 0.575 175.449 174.900 -0.043 0.000 1.006 194 G CA 0.080 45.163 45.100 -0.028 0.000 0.620 194 G HN 0.835 nan 8.290 nan 0.000 0.511 195 L N 1.971 123.165 121.223 -0.048 0.000 2.416 195 L HA 0.535 4.840 4.340 -0.058 0.000 0.272 195 L C 1.643 178.440 176.870 -0.122 0.000 1.161 195 L CA -0.029 54.764 54.840 -0.077 0.000 0.845 195 L CB 0.043 42.065 42.059 -0.061 0.000 1.119 195 L HN 0.586 nan 8.230 nan 0.000 0.464 196 H N 1.960 120.923 119.070 -0.179 0.000 2.897 196 H HA 0.507 5.029 4.556 -0.058 0.000 0.347 196 H C 0.337 175.449 175.328 -0.361 0.000 1.068 196 H CA -0.421 55.486 56.048 -0.235 0.000 1.426 196 H CB 0.387 29.994 29.762 -0.258 0.000 1.410 196 H HN 0.866 nan 8.280 nan 0.000 0.597 197 A N 1.632 124.292 122.820 -0.266 0.000 2.366 197 A HA 0.505 4.790 4.320 -0.058 0.000 0.272 197 A C 0.463 177.786 177.584 -0.434 0.000 1.135 197 A CA -0.365 51.523 52.037 -0.247 0.000 0.804 197 A CB -0.172 18.780 19.000 -0.079 0.000 1.064 197 A HN 0.882 nan 8.150 nan 0.000 0.499 198 F N 1.547 121.369 119.950 -0.212 0.000 2.727 198 F HA 0.126 4.617 4.527 -0.059 0.000 0.302 198 F C 0.894 176.601 175.800 -0.155 0.000 1.097 198 F CA -0.491 57.272 58.000 -0.394 0.000 1.330 198 F CB 0.337 39.289 39.000 -0.081 0.000 1.084 198 F HN 0.481 nan 8.300 nan 0.000 0.578 199 L N 1.151 122.449 121.223 0.125 0.000 2.601 199 L HA 0.188 4.493 4.340 -0.058 0.000 0.277 199 L C 1.157 178.195 176.870 0.279 0.000 1.219 199 L CA 1.004 55.950 54.840 0.178 0.000 0.915 199 L CB 0.044 42.171 42.059 0.113 0.000 1.160 199 L HN 0.424 nan 8.230 nan 0.000 0.494 200 G N 2.398 111.341 108.800 0.238 0.000 2.199 200 G HA2 -0.272 3.653 3.960 -0.058 0.000 0.254 200 G HA3 -0.272 3.653 3.960 -0.058 0.000 0.254 200 G C 0.486 175.516 174.900 0.215 0.000 0.982 200 G CA 0.385 45.599 45.100 0.191 0.000 0.632 200 G HN 0.835 nan 8.290 nan 0.000 0.529 201 H N 0.607 119.748 119.070 0.119 0.000 2.629 201 H HA 0.490 5.012 4.556 -0.057 0.000 0.357 201 H C 0.664 175.939 175.328 -0.088 0.000 1.121 201 H CA -0.154 55.900 56.048 0.009 0.000 1.406 201 H CB 0.683 30.522 29.762 0.128 0.000 1.456 201 H HN 0.230 nan 8.280 nan 0.000 0.579 202 R N 1.930 122.270 120.500 -0.267 0.000 2.732 202 R HA 0.427 4.733 4.340 -0.058 0.000 0.278 202 R C -1.222 174.716 176.300 -0.603 0.000 0.976 202 R CA -0.686 55.275 56.100 -0.232 0.000 0.963 202 R CB 1.447 31.665 30.300 -0.138 0.000 1.150 202 R HN 0.365 nan 8.270 nan 0.000 0.478 203 F N 1.353 121.378 119.950 0.124 0.000 2.588 203 F HA 0.420 4.913 4.527 -0.057 0.000 0.310 203 F C -1.979 173.907 175.800 0.144 0.000 1.082 203 F CA -2.402 55.696 58.000 0.164 0.000 0.929 203 F CB 1.782 40.928 39.000 0.244 0.000 1.254 203 F HN 0.311 nan 8.300 nan 0.000 0.455 204 P HA 0.138 nan 4.420 nan 0.000 0.272 204 P C 0.047 177.473 177.300 0.211 0.000 1.230 204 P CA -0.054 63.160 63.100 0.190 0.000 0.788 204 P CB 1.093 32.882 31.700 0.149 0.000 0.949 205 A N 2.301 125.213 122.820 0.155 0.000 1.978 205 A HA -0.184 4.102 4.320 -0.058 0.000 0.220 205 A C 2.167 179.816 177.584 0.109 0.000 1.170 205 A CA 2.234 54.359 52.037 0.147 0.000 0.636 205 A CB -1.743 17.309 19.000 0.086 0.000 0.810 205 A HN 0.670 nan 8.150 nan 0.000 0.448 206 S N 0.099 115.852 115.700 0.087 0.000 2.469 206 S HA -0.157 4.278 4.470 -0.058 0.000 0.238 206 S C 1.089 175.709 174.600 0.034 0.000 0.998 206 S CA 1.348 59.580 58.200 0.054 0.000 0.957 206 S CB -0.466 62.771 63.200 0.062 0.000 0.764 206 S HN 0.514 nan 8.310 nan 0.000 0.514 207 D N 1.534 121.971 120.400 0.061 0.000 2.264 207 D HA 0.143 4.748 4.640 -0.058 0.000 0.208 207 D C 0.368 176.564 176.300 -0.173 0.000 0.966 207 D CA 0.796 54.756 54.000 -0.065 0.000 0.864 207 D CB -0.071 40.727 40.800 -0.002 0.000 0.933 207 D HN 0.515 nan 8.370 nan 0.000 0.499 208 I N 1.720 122.267 120.570 -0.037 0.000 2.623 208 I HA 0.206 4.341 4.170 -0.058 0.000 0.275 208 I C -2.433 173.650 176.117 -0.057 0.000 1.108 208 I CA -1.870 59.403 61.300 -0.045 0.000 1.120 208 I CB 2.013 40.094 38.000 0.135 0.000 1.249 208 I HN -0.279 nan 8.210 nan 0.000 0.500 209 P HA 0.091 nan 4.420 nan 0.000 0.273 209 P C 0.778 177.988 177.300 -0.151 0.000 1.250 209 P CA -0.123 62.916 63.100 -0.101 0.000 0.793 209 P CB 1.377 33.020 31.700 -0.093 0.000 1.011 210 A N 1.076 123.817 122.820 -0.131 0.000 1.972 210 A HA -0.202 4.083 4.320 -0.058 0.000 0.219 210 A C 2.111 179.585 177.584 -0.183 0.000 1.169 210 A CA 1.617 53.562 52.037 -0.152 0.000 0.635 210 A CB -1.204 17.727 19.000 -0.115 0.000 0.810 210 A HN 0.682 nan 8.150 nan 0.000 0.446 211 Q N -0.107 119.587 119.800 -0.176 0.000 2.230 211 Q HA 0.034 4.339 4.340 -0.058 0.000 0.202 211 Q C 1.891 177.718 176.000 -0.289 0.000 0.963 211 Q CA 1.636 57.325 55.803 -0.189 0.000 0.866 211 Q CB -0.705 27.952 28.738 -0.134 0.000 0.931 211 Q HN 0.496 nan 8.270 nan 0.000 0.452 212 A N 1.958 124.552 122.820 -0.376 0.000 1.872 212 A HA -0.098 4.188 4.320 -0.058 0.000 0.214 212 A C 2.305 179.342 177.584 -0.911 0.000 1.187 212 A CA 1.142 52.738 52.037 -0.735 0.000 0.614 212 A CB -0.401 18.195 19.000 -0.673 0.000 0.826 212 A HN 0.387 nan 8.150 nan 0.000 0.442 213 R N -0.316 119.885 120.500 -0.498 0.000 2.096 213 R HA -0.093 4.213 4.340 -0.058 0.000 0.235 213 R C 2.460 178.616 176.300 -0.240 0.000 1.127 213 R CA 1.184 57.081 56.100 -0.339 0.000 0.968 213 R CB -0.513 29.579 30.300 -0.347 0.000 0.861 213 R HN 0.509 nan 8.270 nan 0.000 0.440 214 A N 1.571 124.251 122.820 -0.232 0.000 1.877 214 A HA -0.177 4.109 4.320 -0.058 0.000 0.216 214 A C 2.129 179.639 177.584 -0.124 0.000 1.186 214 A CA 1.199 53.142 52.037 -0.156 0.000 0.620 214 A CB -0.553 18.360 19.000 -0.146 0.000 0.822 214 A HN 0.243 nan 8.150 nan 0.000 0.443 215 L N -1.400 119.717 121.223 -0.177 0.000 2.042 215 L HA -0.158 4.147 4.340 -0.058 0.000 0.210 215 L C 2.028 178.980 176.870 0.138 0.000 1.076 215 L CA 1.861 56.670 54.840 -0.052 0.000 0.749 215 L CB -0.818 41.184 42.059 -0.095 0.000 0.893 215 L HN 0.482 nan 8.230 nan 0.000 0.432 216 Y N -0.663 119.624 120.300 -0.022 0.000 2.583 216 Y HA 0.024 4.541 4.550 -0.054 0.000 0.293 216 Y C 2.428 178.321 175.900 -0.011 0.000 1.157 216 Y CA 0.799 58.899 58.100 -0.000 0.000 1.315 216 Y CB -1.533 36.931 38.460 0.006 0.000 1.021 216 Y HN 0.230 nan 8.280 nan 0.000 0.536 217 T N -1.088 113.525 114.554 0.099 0.000 3.054 217 T HA 0.017 4.332 4.350 -0.058 0.000 0.259 217 T C 1.927 176.615 174.700 -0.021 0.000 1.092 217 T CA 0.721 62.838 62.100 0.030 0.000 1.121 217 T CB 0.202 69.060 68.868 -0.016 0.000 0.912 217 T HN 0.300 nan 8.240 nan 0.000 0.489 218 R N -0.147 120.316 120.500 -0.061 0.000 2.142 218 R HA 0.164 4.470 4.340 -0.058 0.000 0.204 218 R C 0.205 176.296 176.300 -0.350 0.000 1.059 218 R CA 0.479 56.444 56.100 -0.226 0.000 1.055 218 R CB 0.356 30.468 30.300 -0.314 0.000 0.976 218 R HN 0.298 nan 8.270 nan 0.000 0.483 219 H N 0.731 119.823 119.070 0.036 0.000 2.762 219 H HA 0.214 4.733 4.556 -0.061 0.000 0.310 219 H C 0.405 175.740 175.328 0.011 0.000 1.004 219 H CA -0.302 55.751 56.048 0.008 0.000 1.267 219 H CB 1.488 31.252 29.762 0.004 0.000 1.437 219 H HN 0.008 nan 8.280 nan 0.000 0.498 220 L N 3.214 124.484 121.223 0.078 0.000 2.591 220 L HA 0.227 4.532 4.340 -0.058 0.000 0.228 220 L C 0.407 177.255 176.870 -0.038 0.000 1.133 220 L CA 0.539 55.389 54.840 0.016 0.000 0.880 220 L CB 0.454 42.516 42.059 0.005 0.000 1.033 220 L HN 0.190 nan 8.230 nan 0.000 0.450 221 L N 1.217 122.415 121.223 -0.042 0.000 2.464 221 L HA 0.576 4.881 4.340 -0.058 0.000 0.266 221 L C -1.065 175.749 176.870 -0.093 0.000 0.965 221 L CA -0.608 54.182 54.840 -0.083 0.000 0.833 221 L CB 1.558 43.585 42.059 -0.054 0.000 1.296 221 L HN 0.038 nan 8.230 nan 0.000 0.405 222 R N 4.049 124.468 120.500 -0.136 0.000 2.764 222 R HA 0.837 5.142 4.340 -0.058 0.000 0.270 222 R C -2.193 174.070 176.300 -0.062 0.000 1.014 222 R CA -0.750 55.297 56.100 -0.088 0.000 0.904 222 R CB 1.439 31.691 30.300 -0.080 0.000 1.236 222 R HN 0.610 nan 8.270 nan 0.000 0.466 223 L N -2.684 118.540 121.223 0.002 0.000 2.671 223 L HA 0.753 5.058 4.340 -0.058 0.000 0.259 223 L C -1.110 175.803 176.870 0.072 0.000 1.021 223 L CA -0.584 54.272 54.840 0.026 0.000 0.871 223 L CB 2.157 44.227 42.059 0.018 0.000 1.472 223 L HN 0.627 nan 8.230 nan 0.000 0.410 224 T N 0.814 115.413 114.554 0.074 0.000 2.892 224 T HA 0.633 4.949 4.350 -0.058 0.000 0.311 224 T C 0.790 175.519 174.700 0.048 0.000 1.033 224 T CA 0.142 62.290 62.100 0.080 0.000 0.991 224 T CB 1.638 70.552 68.868 0.077 0.000 0.981 224 T HN 0.931 nan 8.240 nan 0.000 0.457 225 A N 2.343 125.160 122.820 -0.005 0.000 1.968 225 A HA 0.117 4.403 4.320 -0.058 0.000 0.217 225 A C 0.920 178.503 177.584 -0.001 0.000 1.169 225 A CA 0.863 52.836 52.037 -0.107 0.000 0.638 225 A CB 0.066 18.758 19.000 -0.512 0.000 0.812 225 A HN 0.650 nan 8.150 nan 0.000 0.446 226 D N -1.501 118.920 120.400 0.035 0.000 2.616 226 D HA 0.190 4.795 4.640 -0.058 0.000 0.238 226 D C 0.713 177.047 176.300 0.057 0.000 1.354 226 D CA 0.376 54.412 54.000 0.061 0.000 0.970 226 D CB 1.169 42.011 40.800 0.070 0.000 1.369 226 D HN 0.078 nan 8.370 nan 0.000 0.585 227 T N 0.942 115.522 114.554 0.043 0.000 3.163 227 T HA 0.033 4.348 4.350 -0.058 0.000 0.260 227 T C 1.234 175.948 174.700 0.023 0.000 1.156 227 T CA 0.550 62.661 62.100 0.019 0.000 1.072 227 T CB 0.045 68.905 68.868 -0.014 0.000 0.937 227 T HN 0.313 nan 8.240 nan 0.000 0.528 228 R N 0.390 120.911 120.500 0.036 0.000 2.437 228 R HA 0.516 4.821 4.340 -0.058 0.000 0.257 228 R C 0.515 176.844 176.300 0.049 0.000 0.927 228 R CA -0.102 56.020 56.100 0.037 0.000 1.078 228 R CB 0.604 30.923 30.300 0.033 0.000 1.161 228 R HN 0.391 nan 8.270 nan 0.000 0.529 229 A N 1.360 124.217 122.820 0.062 0.000 2.363 229 A HA 0.627 4.912 4.320 -0.058 0.000 0.270 229 A C 0.135 177.762 177.584 0.072 0.000 1.121 229 A CA -0.411 51.671 52.037 0.075 0.000 0.800 229 A CB 0.546 19.607 19.000 0.101 0.000 1.052 229 A HN 0.284 nan 8.150 nan 0.000 0.493 230 A N 1.980 124.840 122.820 0.067 0.000 2.425 230 A HA 0.588 4.873 4.320 -0.058 0.000 0.249 230 A C 0.875 178.499 177.584 0.066 0.000 1.084 230 A CA 0.221 52.294 52.037 0.060 0.000 0.781 230 A CB -0.108 18.923 19.000 0.051 0.000 1.019 230 A HN 2.060 nan 8.150 nan 0.000 0.490 231 A N 1.598 124.454 122.820 0.059 0.000 2.406 231 A HA 0.511 4.796 4.320 -0.058 0.000 0.243 231 A C -0.021 177.588 177.584 0.042 0.000 1.082 231 A CA -0.144 51.925 52.037 0.053 0.000 0.786 231 A CB 0.128 19.157 19.000 0.048 0.000 1.029 231 A HN 1.147 nan 8.150 nan 0.000 0.495 232 V N 3.682 123.615 119.914 0.032 0.000 2.357 232 V HA 0.315 4.400 4.120 -0.058 0.000 0.284 232 V C -2.282 173.811 176.094 -0.002 0.000 1.018 232 V CA -1.507 60.808 62.300 0.024 0.000 0.841 232 V CB 1.343 33.189 31.823 0.039 0.000 0.991 232 V HN 0.764 nan 8.190 nan 0.000 0.437 233 P HA 0.142 nan 4.420 nan 0.000 0.267 233 P C -0.392 176.872 177.300 -0.059 0.000 1.200 233 P CA 0.014 63.082 63.100 -0.053 0.000 0.772 233 P CB 0.532 32.199 31.700 -0.056 0.000 0.855 234 L N 2.275 123.442 121.223 -0.094 0.000 2.375 234 L HA 0.404 4.710 4.340 -0.058 0.000 0.271 234 L C 0.455 177.269 176.870 -0.093 0.000 1.107 234 L CA 0.056 54.846 54.840 -0.084 0.000 0.806 234 L CB 0.595 42.595 42.059 -0.098 0.000 1.146 234 L HN 0.361 nan 8.230 nan 0.000 0.447 235 D N 3.267 123.629 120.400 -0.063 0.000 2.863 235 D HA 0.389 4.994 4.640 -0.058 0.000 0.245 235 D C -2.590 173.684 176.300 -0.043 0.000 1.211 235 D CA -1.436 52.531 54.000 -0.056 0.000 0.888 235 D CB 2.344 43.120 40.800 -0.040 0.000 1.483 235 D HN 0.083 nan 8.370 nan 0.000 0.533 236 P HA -0.006 nan 4.420 nan 0.000 0.272 236 P C 0.759 178.011 177.300 -0.081 0.000 1.230 236 P CA -0.444 62.626 63.100 -0.050 0.000 0.788 236 P CB 1.418 33.099 31.700 -0.030 0.000 0.949 237 V N 1.721 121.562 119.914 -0.122 0.000 2.667 237 V HA -0.053 4.032 4.120 -0.058 0.000 0.252 237 V C 1.067 177.071 176.094 -0.150 0.000 1.065 237 V CA 1.222 63.385 62.300 -0.230 0.000 1.083 237 V CB -0.558 30.996 31.823 -0.447 0.000 0.692 237 V HN 0.290 nan 8.190 nan 0.000 0.468 238 L N 1.225 122.417 121.223 -0.052 0.000 2.334 238 L HA 0.373 4.679 4.340 -0.058 0.000 0.277 238 L C 0.152 177.023 176.870 0.000 0.000 1.075 238 L CA -0.447 54.398 54.840 0.009 0.000 0.804 238 L CB 0.718 42.808 42.059 0.051 0.000 1.174 238 L HN 0.137 nan 8.230 nan 0.000 0.438 239 N N 3.821 122.528 118.700 0.012 0.000 2.438 239 N HA 0.049 4.754 4.740 -0.058 0.000 0.267 239 N C -1.884 173.635 175.510 0.015 0.000 1.222 239 N CA -1.452 51.604 53.050 0.010 0.000 0.930 239 N CB 1.142 39.640 38.487 0.017 0.000 1.083 239 N HN 0.255 nan 8.380 nan 0.000 0.476 240 P HA -0.115 nan 4.420 nan 0.000 0.222 240 P C 0.792 178.102 177.300 0.016 0.000 1.147 240 P CA 1.230 64.336 63.100 0.011 0.000 0.790 240 P CB 0.254 31.957 31.700 0.005 0.000 0.780 241 Q N -0.932 118.879 119.800 0.017 0.000 2.135 241 Q HA -0.119 4.187 4.340 -0.058 0.000 0.204 241 Q C 1.610 177.625 176.000 0.025 0.000 0.981 241 Q CA 2.135 57.951 55.803 0.021 0.000 0.856 241 Q CB -0.631 28.121 28.738 0.024 0.000 0.902 241 Q HN 0.387 nan 8.270 nan 0.000 0.425 242 T N -4.158 110.413 114.554 0.029 0.000 3.003 242 T HA 0.121 4.437 4.350 -0.058 0.000 0.261 242 T C 0.314 175.037 174.700 0.039 0.000 1.003 242 T CA -0.195 61.926 62.100 0.036 0.000 0.917 242 T CB 0.278 69.173 68.868 0.044 0.000 1.084 242 T HN 0.088 nan 8.240 nan 0.000 0.522 243 N N 1.947 120.669 118.700 0.036 0.000 2.710 243 N HA -0.131 4.574 4.740 -0.058 0.000 0.249 243 N C -0.120 175.424 175.510 0.056 0.000 1.059 243 N CA 1.023 54.097 53.050 0.040 0.000 0.720 243 N CB -1.573 36.935 38.487 0.035 0.000 0.983 243 N HN 0.970 nan 8.380 nan 0.000 0.544 244 A N -1.205 121.653 122.820 0.063 0.000 2.566 244 A HA 0.807 5.092 4.320 -0.058 0.000 0.292 244 A C -2.720 174.917 177.584 0.088 0.000 1.112 244 A CA -1.398 50.689 52.037 0.084 0.000 0.707 244 A CB 1.536 20.587 19.000 0.085 0.000 1.302 244 A HN -0.096 nan 8.150 nan 0.000 0.409 245 P HA 0.195 nan 4.420 nan 0.000 0.268 245 P C -0.348 176.981 177.300 0.049 0.000 1.208 245 P CA 0.452 63.617 63.100 0.109 0.000 0.777 245 P CB 0.345 32.105 31.700 0.100 0.000 0.875 246 T N 4.541 119.109 114.554 0.023 0.000 2.749 246 T HA 0.308 4.624 4.350 -0.058 0.000 0.295 246 T C -2.262 172.439 174.700 0.002 0.000 0.936 246 T CA -1.226 60.879 62.100 0.009 0.000 1.060 246 T CB -0.019 68.842 68.868 -0.011 0.000 0.904 246 T HN 0.240 nan 8.240 nan 0.000 0.500 247 P HA 0.241 nan 4.420 nan 0.000 0.271 247 P C -0.001 177.342 177.300 0.071 0.000 1.233 247 P CA -0.098 63.045 63.100 0.072 0.000 0.764 247 P CB 0.479 32.267 31.700 0.147 0.000 0.825 248 L N 2.173 123.424 121.223 0.047 0.000 2.906 248 L HA 0.219 4.524 4.340 -0.058 0.000 0.255 248 L C 2.190 179.053 176.870 -0.012 0.000 1.166 248 L CA 0.172 55.033 54.840 0.035 0.000 0.977 248 L CB -0.069 41.994 42.059 0.008 0.000 1.313 248 L HN 0.492 nan 8.230 nan 0.000 0.549 249 G N 0.480 109.275 108.800 -0.008 0.000 2.475 249 G HA2 -0.240 3.686 3.960 -0.058 0.000 0.220 249 G HA3 -0.240 3.686 3.960 -0.058 0.000 0.220 249 G C 1.416 175.976 174.900 -0.567 0.000 1.125 249 G CA 0.897 45.934 45.100 -0.104 0.000 0.755 249 G HN 0.487 nan 8.290 nan 0.000 0.565 250 G N -0.347 107.956 108.800 -0.828 0.000 2.985 250 G HA2 0.434 4.359 3.960 -0.058 0.000 0.209 250 G HA3 0.434 4.359 3.960 -0.058 0.000 0.209 250 G C 0.506 174.932 174.900 -0.790 0.000 1.165 250 G CA 0.673 45.017 45.100 -1.260 0.000 0.776 250 G HN 0.678 nan 8.290 nan 0.000 0.541 251 A N -0.022 122.615 122.820 -0.306 0.000 2.260 251 A HA 0.575 4.861 4.320 -0.058 0.000 0.314 251 A C 1.068 178.592 177.584 -0.099 0.000 1.257 251 A CA -0.479 51.493 52.037 -0.107 0.000 0.871 251 A CB 1.686 20.708 19.000 0.037 0.000 1.166 251 A HN 0.259 nan 8.150 nan 0.000 0.522 252 V N 3.816 123.676 119.914 -0.090 0.000 2.759 252 V HA -0.127 3.959 4.120 -0.058 0.000 0.256 252 V C 1.702 177.787 176.094 -0.015 0.000 1.080 252 V CA 1.935 64.208 62.300 -0.045 0.000 1.101 252 V CB -0.557 31.245 31.823 -0.035 0.000 0.698 252 V HN 0.830 nan 8.190 nan 0.000 0.477 253 L N -0.029 121.162 121.223 -0.054 0.000 2.552 253 L HA 0.078 4.383 4.340 -0.058 0.000 0.227 253 L C 1.565 178.413 176.870 -0.036 0.000 1.146 253 L CA 0.149 54.938 54.840 -0.086 0.000 0.858 253 L CB -0.423 41.534 42.059 -0.169 0.000 0.969 253 L HN 0.269 nan 8.230 nan 0.000 0.451 254 R N 1.767 122.258 120.500 -0.015 0.000 2.566 254 R HA 0.050 4.355 4.340 -0.058 0.000 0.273 254 R C 0.248 176.567 176.300 0.032 0.000 0.981 254 R CA 0.201 56.304 56.100 0.005 0.000 1.091 254 R CB 0.439 30.745 30.300 0.010 0.000 0.924 254 R HN 0.129 nan 8.270 nan 0.000 0.411 255 A N 4.151 126.992 122.820 0.034 0.000 2.511 255 A HA 0.123 4.408 4.320 -0.058 0.000 0.242 255 A C -0.060 177.568 177.584 0.075 0.000 1.069 255 A CA 0.063 52.135 52.037 0.057 0.000 0.763 255 A CB 0.348 19.379 19.000 0.052 0.000 1.001 255 A HN 0.813 nan 8.150 nan 0.000 0.498 256 T N 1.958 116.569 114.554 0.095 0.000 2.913 256 T HA 0.289 4.605 4.350 -0.058 0.000 0.297 256 T C 0.871 175.641 174.700 0.117 0.000 1.029 256 T CA 0.254 62.428 62.100 0.124 0.000 1.104 256 T CB 0.820 69.779 68.868 0.152 0.000 0.964 256 T HN 0.929 nan 8.240 nan 0.000 0.532 257 S N 3.249 119.024 115.700 0.125 0.000 2.626 257 S HA 0.013 4.449 4.470 -0.058 0.000 0.303 257 S C -1.410 173.264 174.600 0.123 0.000 1.256 257 S CA -1.054 57.214 58.200 0.114 0.000 1.069 257 S CB 0.217 63.482 63.200 0.108 0.000 0.807 257 S HN 0.380 nan 8.310 nan 0.000 0.500 258 P HA -0.134 nan 4.420 nan 0.000 0.218 258 P C 1.762 179.118 177.300 0.094 0.000 1.148 258 P CA 1.213 64.365 63.100 0.086 0.000 0.822 258 P CB 0.047 31.792 31.700 0.075 0.000 0.784 259 M N -1.858 117.807 119.600 0.108 0.000 2.108 259 M HA -0.213 4.232 4.480 -0.058 0.000 0.261 259 M C 2.187 178.582 176.300 0.158 0.000 1.066 259 M CA 1.891 57.263 55.300 0.119 0.000 1.107 259 M CB -1.485 31.179 32.600 0.107 0.000 1.356 259 M HN 0.106 nan 8.290 nan 0.000 0.406 260 H N 0.050 119.146 119.070 0.044 0.000 2.428 260 H HA 0.053 4.574 4.556 -0.058 0.000 0.296 260 H C 1.863 177.245 175.328 0.090 0.000 1.062 260 H CA 1.568 57.636 56.048 0.033 0.000 1.350 260 H CB -0.031 29.724 29.762 -0.013 0.000 1.403 260 H HN 0.248 nan 8.280 nan 0.000 0.533 261 M N -0.322 119.274 119.600 -0.006 0.000 2.108 261 M HA -0.206 4.239 4.480 -0.058 0.000 0.261 261 M C 2.372 178.648 176.300 -0.040 0.000 1.066 261 M CA 2.055 57.319 55.300 -0.060 0.000 1.107 261 M CB -0.205 32.402 32.600 0.012 0.000 1.356 261 M HN 0.280 nan 8.290 nan 0.000 0.406 262 Q N 0.019 119.833 119.800 0.023 0.000 2.084 262 Q HA -0.206 4.099 4.340 -0.058 0.000 0.202 262 Q C 1.810 177.836 176.000 0.044 0.000 0.978 262 Q CA 1.845 57.668 55.803 0.035 0.000 0.844 262 Q CB -0.573 28.201 28.738 0.060 0.000 0.898 262 Q HN 0.600 nan 8.270 nan 0.000 0.426 263 Y N -0.012 120.244 120.300 -0.073 0.000 2.128 263 Y HA -0.238 4.277 4.550 -0.058 0.000 0.284 263 Y C 1.632 177.439 175.900 -0.155 0.000 1.154 263 Y CA 1.893 59.947 58.100 -0.076 0.000 1.149 263 Y CB -0.081 38.368 38.460 -0.018 0.000 0.976 263 Y HN 0.148 nan 8.280 nan 0.000 0.505 264 L N -0.265 120.923 121.223 -0.057 0.000 2.046 264 L HA -0.231 4.074 4.340 -0.058 0.000 0.208 264 L C 2.593 179.370 176.870 -0.155 0.000 1.077 264 L CA 1.548 56.284 54.840 -0.174 0.000 0.747 264 L CB -0.563 41.345 42.059 -0.251 0.000 0.896 264 L HN 0.151 nan 8.230 nan 0.000 0.432 265 R N -0.039 120.401 120.500 -0.101 0.000 2.096 265 R HA -0.136 4.170 4.340 -0.058 0.000 0.235 265 R C 2.021 178.274 176.300 -0.079 0.000 1.127 265 R CA 1.375 57.433 56.100 -0.071 0.000 0.968 265 R CB -0.467 29.812 30.300 -0.036 0.000 0.861 265 R HN 0.396 nan 8.270 nan 0.000 0.440 266 N N 0.450 119.090 118.700 -0.099 0.000 2.289 266 N HA -0.107 4.599 4.740 -0.058 0.000 0.184 266 N C 1.439 176.876 175.510 -0.121 0.000 1.016 266 N CA 1.205 54.193 53.050 -0.105 0.000 0.872 266 N CB 0.018 38.428 38.487 -0.127 0.000 0.973 266 N HN 0.256 nan 8.380 nan 0.000 0.433 267 M N -0.932 118.567 119.600 -0.169 0.000 2.561 267 M HA 0.137 4.582 4.480 -0.058 0.000 0.238 267 M C 0.621 176.879 176.300 -0.069 0.000 1.131 267 M CA 0.138 55.367 55.300 -0.118 0.000 1.046 267 M CB 0.341 32.823 32.600 -0.197 0.000 1.532 267 M HN 0.190 nan 8.290 nan 0.000 0.497 268 G N 1.375 110.129 108.800 -0.077 0.000 2.160 268 G HA2 -0.194 3.731 3.960 -0.058 0.000 0.244 268 G HA3 -0.194 3.731 3.960 -0.058 0.000 0.244 268 G C -0.159 174.702 174.900 -0.065 0.000 1.022 268 G CA -0.213 44.856 45.100 -0.052 0.000 0.741 268 G HN 0.328 nan 8.290 nan 0.000 0.508 269 V N 0.146 119.990 119.914 -0.116 0.000 2.407 269 V HA 0.632 4.718 4.120 -0.058 0.000 0.278 269 V C 1.575 177.641 176.094 -0.047 0.000 1.037 269 V CA 0.631 62.854 62.300 -0.129 0.000 0.900 269 V CB 1.419 33.037 31.823 -0.342 0.000 0.983 269 V HN 0.483 nan 8.190 nan 0.000 0.459 270 G N 2.861 111.678 108.800 0.028 0.000 2.662 270 G HA2 0.160 4.085 3.960 -0.058 0.000 0.212 270 G HA3 0.160 4.085 3.960 -0.058 0.000 0.212 270 G C 0.524 175.493 174.900 0.116 0.000 1.141 270 G CA 0.677 45.819 45.100 0.068 0.000 0.797 270 G HN 0.663 nan 8.290 nan 0.000 0.531 271 S N -1.234 114.570 115.700 0.173 0.000 2.533 271 S HA 0.621 5.057 4.470 -0.058 0.000 0.271 271 S C -1.450 173.264 174.600 0.189 0.000 1.143 271 S CA -0.357 57.969 58.200 0.210 0.000 0.891 271 S CB 1.858 65.280 63.200 0.371 0.000 1.105 271 S HN 0.232 nan 8.310 nan 0.000 0.468 272 S N 3.125 118.892 115.700 0.112 0.000 2.549 272 S HA 0.878 5.313 4.470 -0.058 0.000 0.280 272 S C -1.685 172.910 174.600 -0.009 0.000 1.109 272 S CA -0.617 57.619 58.200 0.059 0.000 0.905 272 S CB 1.323 64.580 63.200 0.095 0.000 1.081 272 S HN 0.868 nan 8.310 nan 0.000 0.477 273 L N 3.155 124.292 121.223 -0.145 0.000 2.505 273 L HA 0.814 5.120 4.340 -0.058 0.000 0.259 273 L C -1.112 175.654 176.870 -0.173 0.000 0.952 273 L CA -0.092 54.674 54.840 -0.122 0.000 0.840 273 L CB 2.070 44.086 42.059 -0.071 0.000 1.358 273 L HN 0.843 nan 8.230 nan 0.000 0.409 274 S N 2.648 118.256 115.700 -0.153 0.000 2.595 274 S HA 0.877 5.312 4.470 -0.058 0.000 0.281 274 S C -1.309 173.197 174.600 -0.157 0.000 1.117 274 S CA -0.764 57.334 58.200 -0.170 0.000 0.873 274 S CB 2.103 65.181 63.200 -0.202 0.000 1.108 274 S HN 0.418 nan 8.310 nan 0.000 0.477 275 V N 1.787 121.637 119.914 -0.105 0.000 2.540 275 V HA 0.533 4.618 4.120 -0.058 0.000 0.302 275 V C 0.073 176.149 176.094 -0.029 0.000 1.035 275 V CA -0.685 61.574 62.300 -0.068 0.000 0.873 275 V CB 1.864 33.669 31.823 -0.031 0.000 0.992 275 V HN 1.018 nan 8.190 nan 0.000 0.428 276 S N 3.011 118.701 115.700 -0.016 0.000 2.564 276 S HA 0.384 4.819 4.470 -0.058 0.000 0.278 276 S C -0.117 174.537 174.600 0.091 0.000 1.333 276 S CA -0.379 57.862 58.200 0.070 0.000 1.048 276 S CB 1.239 64.488 63.200 0.082 0.000 0.900 276 S HN 0.496 nan 8.310 nan 0.000 0.505 277 V N 4.264 124.281 119.914 0.172 0.000 2.328 277 V HA 0.344 4.429 4.120 -0.058 0.000 0.278 277 V C -0.366 175.843 176.094 0.191 0.000 1.021 277 V CA -0.526 61.863 62.300 0.147 0.000 0.838 277 V CB 1.146 33.095 31.823 0.211 0.000 0.999 277 V HN 0.651 nan 8.190 nan 0.000 0.447 278 V N 5.995 125.964 119.914 0.091 0.000 2.409 278 V HA 0.518 4.604 4.120 -0.058 0.000 0.291 278 V C -0.261 175.857 176.094 0.040 0.000 1.020 278 V CA -0.552 61.805 62.300 0.095 0.000 0.848 278 V CB 2.007 33.864 31.823 0.056 0.000 0.990 278 V HN 0.567 nan 8.190 nan 0.000 0.430 279 V N 3.477 123.435 119.914 0.074 0.000 2.444 279 V HA 0.674 4.759 4.120 -0.058 0.000 0.294 279 V C 0.919 177.039 176.094 0.043 0.000 1.022 279 V CA 0.142 62.453 62.300 0.018 0.000 0.850 279 V CB 1.274 33.091 31.823 -0.009 0.000 0.992 279 V HN 1.159 nan 8.190 nan 0.000 0.426 280 G N 3.769 112.576 108.800 0.011 0.000 2.356 280 G HA2 0.030 3.955 3.960 -0.058 0.000 0.296 280 G HA3 0.030 3.955 3.960 -0.058 0.000 0.296 280 G C 1.208 176.117 174.900 0.016 0.000 1.022 280 G CA 0.795 45.902 45.100 0.011 0.000 0.961 280 G HN 2.337 nan 8.290 nan 0.000 0.510 281 G N -2.155 106.653 108.800 0.013 0.000 2.189 281 G HA2 -0.254 3.671 3.960 -0.058 0.000 0.267 281 G HA3 -0.254 3.671 3.960 -0.058 0.000 0.267 281 G C 0.301 175.211 174.900 0.017 0.000 0.975 281 G CA 1.183 46.288 45.100 0.008 0.000 0.644 281 G HN 1.187 nan 8.290 nan 0.000 0.537 282 Q N -0.701 119.126 119.800 0.045 0.000 2.306 282 Q HA 0.606 4.911 4.340 -0.058 0.000 0.265 282 Q C -0.234 175.827 176.000 0.102 0.000 1.022 282 Q CA -1.131 54.703 55.803 0.052 0.000 0.853 282 Q CB 2.231 31.006 28.738 0.062 0.000 1.327 282 Q HN 0.307 nan 8.270 nan 0.000 0.449 283 L N 2.335 123.597 121.223 0.066 0.000 2.485 283 L HA 0.050 4.356 4.340 -0.058 0.000 0.279 283 L C 0.534 177.563 176.870 0.265 0.000 1.124 283 L CA 0.493 55.410 54.840 0.128 0.000 0.888 283 L CB 0.008 42.053 42.059 -0.023 0.000 1.217 283 L HN 0.760 nan 8.230 nan 0.000 0.464 284 W N 5.603 127.006 121.300 0.172 0.000 2.576 284 W HA 0.412 5.041 4.660 -0.051 0.000 0.275 284 W C 0.832 177.541 176.519 0.317 0.000 1.241 284 W CA 0.878 58.341 57.345 0.197 0.000 1.328 284 W CB 0.404 29.926 29.460 0.103 0.000 1.092 284 W HN 0.635 nan 8.180 nan 0.000 0.586 285 G N -0.299 108.904 108.800 0.672 0.000 2.342 285 G HA2 0.413 4.339 3.960 -0.058 0.000 0.297 285 G HA3 0.413 4.339 3.960 -0.058 0.000 0.297 285 G C -2.263 172.869 174.900 0.388 0.000 1.313 285 G CA -1.010 44.312 45.100 0.369 0.000 0.830 285 G HN -0.019 nan 8.290 nan 0.000 0.506 286 L N 0.061 121.410 121.223 0.211 0.000 2.401 286 L HA 0.554 4.859 4.340 -0.058 0.000 0.266 286 L C -0.382 176.545 176.870 0.095 0.000 0.991 286 L CA -0.881 54.047 54.840 0.146 0.000 0.818 286 L CB 2.484 44.586 42.059 0.072 0.000 1.321 286 L HN 0.409 nan 8.230 nan 0.000 0.413 287 I N 2.698 123.298 120.570 0.050 0.000 2.347 287 I HA 0.320 4.455 4.170 -0.058 0.000 0.294 287 I C 0.346 176.422 176.117 -0.069 0.000 1.090 287 I CA 0.119 61.422 61.300 0.006 0.000 1.314 287 I CB 0.953 38.958 38.000 0.008 0.000 1.423 287 I HN 0.590 nan 8.210 nan 0.000 0.503 288 A N 6.671 129.423 122.820 -0.112 0.000 2.287 288 A HA 0.669 4.955 4.320 -0.058 0.000 0.317 288 A C -0.712 176.681 177.584 -0.317 0.000 1.220 288 A CA -0.390 51.520 52.037 -0.211 0.000 0.835 288 A CB 0.759 19.610 19.000 -0.249 0.000 1.180 288 A HN 0.758 nan 8.150 nan 0.000 0.500 289 C N 1.634 120.697 119.300 -0.396 0.000 2.507 289 C HA 0.764 5.190 4.460 -0.058 0.000 0.319 289 C C 0.004 174.691 174.990 -0.505 0.000 1.208 289 C CA -0.482 58.172 59.018 -0.607 0.000 1.619 289 C CB 0.494 27.569 27.740 -1.109 0.000 2.230 289 C HN 0.975 nan 8.230 nan 0.000 0.492 290 H N -0.281 118.594 119.070 -0.326 0.000 2.690 290 H HA 0.528 5.050 4.556 -0.057 0.000 0.368 290 H C -1.036 174.431 175.328 0.230 0.000 1.150 290 H CA -0.553 55.454 56.048 -0.067 0.000 1.174 290 H CB 1.834 31.620 29.762 0.040 0.000 1.684 290 H HN 0.692 nan 8.280 nan 0.000 0.538 291 H N 0.295 119.582 119.070 0.363 0.000 2.747 291 H HA 0.163 4.686 4.556 -0.055 0.000 0.371 291 H C 0.386 175.834 175.328 0.199 0.000 1.161 291 H CA -0.480 55.795 56.048 0.380 0.000 1.167 291 H CB 1.848 31.923 29.762 0.521 0.000 1.732 291 H HN 0.641 nan 8.280 nan 0.000 0.544 292 Q N 0.886 120.623 119.800 -0.105 0.000 2.297 292 Q HA 0.037 4.343 4.340 -0.058 0.000 0.204 292 Q C 0.005 175.997 176.000 -0.014 0.000 0.962 292 Q CA 1.235 56.998 55.803 -0.067 0.000 0.879 292 Q CB 0.382 29.037 28.738 -0.137 0.000 0.947 292 Q HN 0.746 nan 8.270 nan 0.000 0.462 293 T N -2.648 111.923 114.554 0.029 0.000 2.916 293 T HA 0.486 4.801 4.350 -0.058 0.000 0.292 293 T C -2.870 171.966 174.700 0.227 0.000 1.064 293 T CA -2.482 59.678 62.100 0.101 0.000 1.011 293 T CB 1.928 70.833 68.868 0.062 0.000 1.152 293 T HN -0.293 nan 8.240 nan 0.000 0.510 294 P HA 0.198 nan 4.420 nan 0.000 0.266 294 P C -1.451 176.008 177.300 0.265 0.000 1.193 294 P CA -0.010 63.200 63.100 0.184 0.000 0.770 294 P CB 0.034 31.804 31.700 0.116 0.000 0.836 295 Y N 0.913 121.243 120.300 0.049 0.000 2.376 295 Y HA 0.360 4.876 4.550 -0.057 0.000 0.321 295 Y C -1.524 174.322 175.900 -0.091 0.000 1.189 295 Y CA -1.147 56.935 58.100 -0.030 0.000 1.069 295 Y CB 1.467 39.860 38.460 -0.112 0.000 1.292 295 Y HN -0.074 nan 8.280 nan 0.000 0.430 296 V N 7.464 127.373 119.914 -0.009 0.000 2.294 296 V HA 0.179 4.265 4.120 -0.058 0.000 0.272 296 V C -0.128 175.693 176.094 -0.454 0.000 1.027 296 V CA -0.591 61.548 62.300 -0.268 0.000 0.823 296 V CB 0.940 32.680 31.823 -0.138 0.000 1.030 296 V HN 0.566 nan 8.190 nan 0.000 0.457 297 L N 9.460 130.242 121.223 -0.735 0.000 2.499 297 L HA 0.358 4.664 4.340 -0.058 0.000 0.273 297 L C -2.128 174.582 176.870 -0.267 0.000 1.195 297 L CA -0.756 53.687 54.840 -0.662 0.000 0.882 297 L CB 0.502 42.229 42.059 -0.553 0.000 1.133 297 L HN 0.368 nan 8.230 nan 0.000 0.483 298 P HA 0.105 nan 4.420 nan 0.000 0.267 298 P C -2.205 175.042 177.300 -0.088 0.000 1.200 298 P CA -0.951 62.093 63.100 -0.095 0.000 0.772 298 P CB 0.138 31.800 31.700 -0.062 0.000 0.855 299 P HA -0.230 nan 4.420 nan 0.000 0.216 299 P C 1.079 178.335 177.300 -0.073 0.000 1.153 299 P CA 1.648 64.700 63.100 -0.080 0.000 0.858 299 P CB -0.268 31.375 31.700 -0.094 0.000 0.789 300 D N -0.406 119.953 120.400 -0.067 0.000 2.144 300 D HA -0.153 4.453 4.640 -0.058 0.000 0.199 300 D C 2.019 178.293 176.300 -0.043 0.000 0.984 300 D CA 1.091 55.058 54.000 -0.055 0.000 0.834 300 D CB -1.001 39.772 40.800 -0.045 0.000 0.955 300 D HN 0.225 nan 8.370 nan 0.000 0.465 301 L N 0.109 121.306 121.223 -0.044 0.000 2.109 301 L HA -0.044 4.261 4.340 -0.058 0.000 0.207 301 L C 2.981 179.830 176.870 -0.035 0.000 1.086 301 L CA 0.717 55.536 54.840 -0.035 0.000 0.760 301 L CB -0.187 41.847 42.059 -0.042 0.000 0.910 301 L HN -0.083 nan 8.230 nan 0.000 0.437 302 R N -0.729 119.742 120.500 -0.050 0.000 2.081 302 R HA -0.139 4.167 4.340 -0.058 0.000 0.235 302 R C 2.196 178.475 176.300 -0.036 0.000 1.131 302 R CA 1.891 57.968 56.100 -0.039 0.000 0.960 302 R CB -0.682 29.587 30.300 -0.051 0.000 0.856 302 R HN 0.321 nan 8.270 nan 0.000 0.436 303 T N 0.280 114.808 114.554 -0.044 0.000 2.821 303 T HA -0.109 4.207 4.350 -0.058 0.000 0.267 303 T C 1.838 176.517 174.700 -0.035 0.000 1.046 303 T CA 1.735 63.810 62.100 -0.043 0.000 1.139 303 T CB -0.253 68.584 68.868 -0.052 0.000 0.871 303 T HN 0.308 nan 8.240 nan 0.000 0.454 304 T N 2.541 117.077 114.554 -0.030 0.000 2.720 304 T HA -0.000 4.315 4.350 -0.058 0.000 0.268 304 T C 1.943 176.633 174.700 -0.018 0.000 1.037 304 T CA 0.942 63.028 62.100 -0.023 0.000 1.144 304 T CB -0.462 68.397 68.868 -0.014 0.000 0.864 304 T HN 0.277 nan 8.240 nan 0.000 0.444 305 L N 0.516 121.733 121.223 -0.009 0.000 2.083 305 L HA -0.081 4.224 4.340 -0.058 0.000 0.209 305 L C 2.770 179.632 176.870 -0.012 0.000 1.083 305 L CA 1.321 56.161 54.840 -0.000 0.000 0.752 305 L CB -0.522 41.547 42.059 0.017 0.000 0.899 305 L HN 0.333 nan 8.230 nan 0.000 0.433 306 E N -0.022 120.166 120.200 -0.020 0.000 2.058 306 E HA -0.209 4.106 4.350 -0.058 0.000 0.194 306 E C 2.288 178.871 176.600 -0.028 0.000 0.997 306 E CA 1.628 58.013 56.400 -0.025 0.000 0.801 306 E CB 0.118 29.801 29.700 -0.028 0.000 0.746 306 E HN 0.366 nan 8.360 nan 0.000 0.450 307 S N 0.767 116.448 115.700 -0.032 0.000 2.382 307 S HA -0.137 4.299 4.470 -0.058 0.000 0.228 307 S C 1.936 176.511 174.600 -0.042 0.000 1.027 307 S CA 0.659 58.836 58.200 -0.039 0.000 0.991 307 S CB -0.209 62.965 63.200 -0.043 0.000 0.823 307 S HN 0.287 nan 8.310 nan 0.000 0.469 308 L N 1.405 122.607 121.223 -0.035 0.000 2.083 308 L HA -0.078 4.227 4.340 -0.058 0.000 0.209 308 L C 2.369 179.218 176.870 -0.036 0.000 1.083 308 L CA 1.453 56.271 54.840 -0.036 0.000 0.752 308 L CB -0.872 41.175 42.059 -0.020 0.000 0.899 308 L HN 0.416 nan 8.230 nan 0.000 0.433 309 G N -0.869 107.915 108.800 -0.027 0.000 2.440 309 G HA2 -0.379 3.546 3.960 -0.058 0.000 0.218 309 G HA3 -0.379 3.546 3.960 -0.058 0.000 0.218 309 G C 1.806 176.681 174.900 -0.041 0.000 1.154 309 G CA 1.191 46.276 45.100 -0.026 0.000 0.767 309 G HN 0.470 nan 8.290 nan 0.000 0.552 310 R N 0.183 120.658 120.500 -0.042 0.000 2.075 310 R HA 0.202 4.507 4.340 -0.058 0.000 0.232 310 R C 2.490 178.751 176.300 -0.065 0.000 1.126 310 R CA 1.657 57.728 56.100 -0.049 0.000 0.963 310 R CB -1.167 29.107 30.300 -0.043 0.000 0.858 310 R HN 0.509 nan 8.270 nan 0.000 0.435 311 L N 0.054 121.238 121.223 -0.065 0.000 2.017 311 L HA -0.035 4.270 4.340 -0.058 0.000 0.208 311 L C 2.376 179.193 176.870 -0.088 0.000 1.073 311 L CA 2.170 56.965 54.840 -0.074 0.000 0.745 311 L CB -0.455 41.560 42.059 -0.074 0.000 0.894 311 L HN 0.359 nan 8.230 nan 0.000 0.432 312 L N -0.843 120.326 121.223 -0.090 0.000 2.093 312 L HA -0.140 4.165 4.340 -0.058 0.000 0.208 312 L C 2.691 179.449 176.870 -0.188 0.000 1.085 312 L CA 2.059 56.827 54.840 -0.119 0.000 0.755 312 L CB -0.976 41.025 42.059 -0.096 0.000 0.904 312 L HN 0.536 nan 8.230 nan 0.000 0.435 313 S N -0.833 114.766 115.700 -0.168 0.000 2.370 313 S HA -0.190 4.246 4.470 -0.058 0.000 0.226 313 S C 2.048 176.529 174.600 -0.199 0.000 1.033 313 S CA 1.718 59.789 58.200 -0.215 0.000 1.011 313 S CB -0.444 62.681 63.200 -0.125 0.000 0.852 313 S HN 0.517 nan 8.310 nan 0.000 0.457 314 L N 0.721 121.865 121.223 -0.133 0.000 2.056 314 L HA -0.088 4.217 4.340 -0.058 0.000 0.207 314 L C 2.960 179.765 176.870 -0.107 0.000 1.078 314 L CA 1.419 56.196 54.840 -0.104 0.000 0.749 314 L CB -0.555 41.459 42.059 -0.075 0.000 0.901 314 L HN 0.396 nan 8.230 nan 0.000 0.433 315 Q N -0.717 119.014 119.800 -0.115 0.000 2.124 315 Q HA -0.168 4.137 4.340 -0.058 0.000 0.202 315 Q C 2.361 178.286 176.000 -0.126 0.000 0.977 315 Q CA 1.300 57.045 55.803 -0.096 0.000 0.850 315 Q CB -0.131 28.554 28.738 -0.087 0.000 0.901 315 Q HN 0.334 nan 8.270 nan 0.000 0.429 316 V N 0.812 120.586 119.914 -0.233 0.000 2.307 316 V HA -0.293 3.793 4.120 -0.058 0.000 0.245 316 V C 2.282 178.248 176.094 -0.213 0.000 1.045 316 V CA 1.999 64.102 62.300 -0.328 0.000 1.024 316 V CB -0.520 30.834 31.823 -0.781 0.000 0.651 316 V HN 0.407 nan 8.190 nan 0.000 0.449 317 Q N -0.450 119.232 119.800 -0.198 0.000 2.084 317 Q HA -0.184 4.121 4.340 -0.058 0.000 0.202 317 Q C 2.257 178.227 176.000 -0.050 0.000 0.978 317 Q CA 1.985 57.722 55.803 -0.109 0.000 0.844 317 Q CB -0.065 28.616 28.738 -0.096 0.000 0.898 317 Q HN 0.516 nan 8.270 nan 0.000 0.426 318 V N 1.128 121.022 119.914 -0.034 0.000 2.295 318 V HA -0.281 3.804 4.120 -0.058 0.000 0.246 318 V C 2.147 178.322 176.094 0.134 0.000 1.049 318 V CA 2.092 64.408 62.300 0.026 0.000 1.024 318 V CB -0.390 31.460 31.823 0.045 0.000 0.648 318 V HN 0.338 nan 8.190 nan 0.000 0.447 319 K N -0.416 120.049 120.400 0.108 0.000 2.103 319 K HA -0.131 4.154 4.320 -0.058 0.000 0.204 319 K C 2.117 178.809 176.600 0.154 0.000 1.052 319 K CA 1.291 57.678 56.287 0.166 0.000 0.945 319 K CB -0.165 32.369 32.500 0.056 0.000 0.722 319 K HN 0.534 nan 8.250 nan 0.000 0.443 320 E N 0.743 120.993 120.200 0.083 0.000 2.153 320 E HA -0.100 4.215 4.350 -0.058 0.000 0.194 320 E C 0.319 176.958 176.600 0.066 0.000 0.988 320 E CA 0.384 56.839 56.400 0.092 0.000 0.811 320 E CB 0.041 29.802 29.700 0.102 0.000 0.746 320 E HN 0.193 nan 8.360 nan 0.000 0.466 321 A N 1.352 124.181 122.820 0.015 0.000 2.539 321 A HA 0.329 4.614 4.320 -0.058 0.000 0.306 321 A C -0.782 176.699 177.584 -0.172 0.000 1.392 321 A CA 0.340 52.328 52.037 -0.083 0.000 1.060 321 A CB -0.313 18.599 19.000 -0.146 0.000 1.134 321 A HN 0.306 nan 8.150 nan 0.000 0.542 322 H N 0.000 119.078 119.070 0.013 0.000 2.539 322 H HA 0.000 4.520 4.556 -0.059 0.000 0.296 322 H CA 0.000 56.055 56.048 0.011 0.000 1.023 322 H CB 0.000 29.767 29.762 0.009 0.000 1.292 322 H HN 0.000 nan 8.280 nan 0.000 0.496