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 1hlg_1_B DATA FIRST_RESID 9 DATA SEQUENCE SPEVTMNISQ MITYWGYPNE EYEVVTEDGY ILEVNRIPYG KKNSGXXXQR DATA SEQUENCE PVVFLQHGLL ASATNWISNL PNNSLAFILA DAGYDVWLGN SRGNTWARRN DATA SEQUENCE LYYSPDSVEF WAFSFDEMAK YDLPATIDFI VKKTGQKQLH YVGHSQGTTI DATA SEQUENCE GFIAFSTNPS LAKRIKTFYA LAPVATVKYT KSLINKLRFV PQSLFKFIFG DATA SEQUENCE DKIFYPHNFF DQFLATEVcS REMLNLLcSN ALFIICGFDS KNFNTSRLDV DATA SEQUENCE YLSHNPAGTS VQNMFHWTQA VKSGKFQAYD WGSPVQNRMH YDQSQPPYYN DATA SEQUENCE VTAMNVPIAV WNGGKDLLAD PQDVGLLLPK LPNLIYHKEI PFYNHLDFIW DATA SEQUENCE AMDAPQEVYN DIVSMISEDK K 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.545 174.600 -0.092 0.000 1.055 9 S CA 0.000 58.165 58.200 -0.059 0.000 1.107 9 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 10 P HA -0.104 nan 4.420 nan 0.000 0.221 10 P C 0.694 177.843 177.300 -0.251 0.000 1.145 10 P CA 1.182 64.166 63.100 -0.192 0.000 0.795 10 P CB 0.129 31.690 31.700 -0.231 0.000 0.775 11 E N -0.381 119.648 120.200 -0.284 0.000 2.427 11 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 11 E C 1.947 178.570 176.600 0.037 0.000 1.028 11 E CA 0.072 56.352 56.400 -0.200 0.000 0.864 11 E CB -0.247 29.331 29.700 -0.203 0.000 0.813 11 E HN 0.064 nan 8.360 nan 0.000 0.514 12 V N 1.386 121.308 119.914 0.014 0.000 2.469 12 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 12 V C 2.389 178.511 176.094 0.047 0.000 1.064 12 V CA 2.267 64.605 62.300 0.062 0.000 1.066 12 V CB -0.583 31.229 31.823 -0.018 0.000 0.667 12 V HN 0.473 nan 8.190 nan 0.000 0.461 13 T N -4.006 110.559 114.554 0.019 0.000 3.134 13 T HA 0.356 4.706 4.350 -0.000 0.000 0.260 13 T C 0.329 175.064 174.700 0.059 0.000 1.027 13 T CA -0.093 62.012 62.100 0.009 0.000 0.913 13 T CB -0.081 68.781 68.868 -0.010 0.000 1.046 13 T HN 0.225 nan 8.240 nan 0.000 0.553 14 M N 3.354 123.022 119.600 0.112 0.000 2.314 14 M HA 0.417 4.897 4.480 -0.000 0.000 0.342 14 M C 0.243 176.721 176.300 0.297 0.000 1.171 14 M CA -0.863 54.512 55.300 0.126 0.000 1.098 14 M CB 1.144 33.752 32.600 0.014 0.000 1.559 14 M HN 0.318 nan 8.290 nan 0.000 0.459 15 N N 1.559 120.408 118.700 0.247 0.000 2.364 15 N HA 0.187 4.927 4.740 -0.000 0.000 0.264 15 N C 0.622 176.225 175.510 0.156 0.000 1.263 15 N CA -0.481 52.789 53.050 0.368 0.000 0.959 15 N CB 0.472 39.091 38.487 0.221 0.000 1.204 15 N HN 0.803 nan 8.380 nan 0.000 0.550 16 I N -0.620 119.973 120.570 0.038 0.000 2.151 16 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 16 I C 1.517 177.591 176.117 -0.070 0.000 1.080 16 I CA 1.623 62.915 61.300 -0.012 0.000 1.339 16 I CB -0.208 37.780 38.000 -0.021 0.000 1.039 16 I HN 0.601 nan 8.210 nan 0.000 0.409 17 S N 0.424 116.013 115.700 -0.186 0.000 2.353 17 S HA -0.279 4.191 4.470 -0.000 0.000 0.222 17 S C 1.789 176.373 174.600 -0.028 0.000 1.035 17 S CA 1.746 59.871 58.200 -0.124 0.000 1.025 17 S CB -0.464 62.622 63.200 -0.190 0.000 0.902 17 S HN 0.567 nan 8.310 nan 0.000 0.440 18 Q N 0.437 120.223 119.800 -0.022 0.000 2.124 18 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 18 Q C 2.246 178.283 176.000 0.060 0.000 0.977 18 Q CA 1.202 57.017 55.803 0.019 0.000 0.850 18 Q CB -0.347 28.396 28.738 0.008 0.000 0.901 18 Q HN 0.532 nan 8.270 nan 0.000 0.429 19 M N 0.111 119.752 119.600 0.068 0.000 2.086 19 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 19 M C 2.158 178.652 176.300 0.324 0.000 1.067 19 M CA 1.464 56.841 55.300 0.127 0.000 1.116 19 M CB -0.234 32.428 32.600 0.103 0.000 1.348 19 M HN 0.223 nan 8.290 nan 0.000 0.407 20 I N -0.114 120.625 120.570 0.281 0.000 2.142 20 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 20 I C 2.660 178.984 176.117 0.345 0.000 1.078 20 I CA 1.925 63.464 61.300 0.398 0.000 1.343 20 I CB -0.789 37.340 38.000 0.216 0.000 1.046 20 I HN 0.441 nan 8.210 nan 0.000 0.405 21 T N -1.744 112.928 114.554 0.196 0.000 2.962 21 T HA -0.251 4.099 4.350 -0.000 0.000 0.270 21 T C 1.882 176.653 174.700 0.119 0.000 1.088 21 T CA 0.807 62.989 62.100 0.137 0.000 1.127 21 T CB -0.727 68.179 68.868 0.063 0.000 0.883 21 T HN 0.416 nan 8.240 nan 0.000 0.493 22 Y N 0.753 121.021 120.300 -0.052 0.000 2.256 22 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 22 Y C 1.259 176.954 175.900 -0.341 0.000 1.155 22 Y CA 0.687 58.638 58.100 -0.248 0.000 1.203 22 Y CB -0.483 37.736 38.460 -0.402 0.000 0.980 22 Y HN 0.344 nan 8.280 nan 0.000 0.530 23 W N 0.025 121.333 121.300 0.012 0.000 3.353 23 W HA 0.350 5.010 4.660 0.000 0.000 0.304 23 W C 1.478 177.964 176.519 -0.056 0.000 1.273 23 W CA 0.478 57.748 57.345 -0.126 0.000 1.773 23 W CB 0.105 29.410 29.460 -0.260 0.000 1.095 23 W HN 0.206 nan 8.180 nan 0.000 0.676 24 G N -0.310 108.554 108.800 0.107 0.000 2.149 24 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.235 24 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.235 24 G C -0.512 174.341 174.900 -0.079 0.000 1.018 24 G CA -0.367 44.724 45.100 -0.015 0.000 0.728 24 G HN 0.239 nan 8.290 nan 0.000 0.508 25 Y N 0.487 120.770 120.300 -0.028 0.000 2.496 25 Y HA 0.617 5.167 4.550 -0.000 0.000 0.331 25 Y C -1.516 174.322 175.900 -0.104 0.000 1.140 25 Y CA -2.348 55.716 58.100 -0.061 0.000 1.166 25 Y CB 1.486 39.962 38.460 0.027 0.000 1.249 25 Y HN 0.023 nan 8.280 nan 0.000 0.479 26 P HA 0.085 nan 4.420 nan 0.000 0.278 26 P C -1.106 176.125 177.300 -0.115 0.000 1.238 26 P CA -0.271 62.696 63.100 -0.222 0.000 0.794 26 P CB 1.266 32.549 31.700 -0.694 0.000 0.955 27 N N 1.533 120.182 118.700 -0.085 0.000 2.235 27 N HA 0.246 4.986 4.740 -0.000 0.000 0.293 27 N C -1.420 174.024 175.510 -0.111 0.000 1.083 27 N CA -0.323 52.675 53.050 -0.086 0.000 0.801 27 N CB 2.361 40.815 38.487 -0.054 0.000 1.559 27 N HN 0.365 nan 8.380 nan 0.000 0.472 28 E N 1.076 121.189 120.200 -0.145 0.000 2.308 28 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 28 E C -1.450 174.960 176.600 -0.317 0.000 0.890 28 E CA -0.531 55.739 56.400 -0.217 0.000 0.754 28 E CB 2.358 32.019 29.700 -0.066 0.000 1.207 28 E HN 0.466 nan 8.360 nan 0.000 0.426 29 E N 1.779 121.682 120.200 -0.495 0.000 2.183 29 E HA 0.457 4.807 4.350 -0.000 0.000 0.271 29 E C -1.340 174.877 176.600 -0.638 0.000 0.919 29 E CA -0.634 55.537 56.400 -0.382 0.000 0.781 29 E CB 1.571 31.113 29.700 -0.265 0.000 1.140 29 E HN 0.311 nan 8.360 nan 0.000 0.402 30 Y N 0.318 120.626 120.300 0.013 0.000 2.545 30 Y HA 0.274 4.824 4.550 -0.000 0.000 0.348 30 Y C -0.203 175.628 175.900 -0.114 0.000 1.002 30 Y CA -0.975 57.119 58.100 -0.009 0.000 1.039 30 Y CB 1.960 40.433 38.460 0.022 0.000 1.271 30 Y HN 0.443 nan 8.280 nan 0.000 0.467 31 E N 1.933 122.137 120.200 0.006 0.000 2.134 31 E HA 0.576 4.926 4.350 -0.000 0.000 0.278 31 E C -1.668 174.849 176.600 -0.138 0.000 0.959 31 E CA -0.498 55.886 56.400 -0.027 0.000 0.783 31 E CB 1.172 30.890 29.700 0.031 0.000 1.095 31 E HN 0.464 nan 8.360 nan 0.000 0.399 32 V N 4.595 124.438 119.914 -0.118 0.000 2.483 32 V HA 0.329 4.449 4.120 -0.000 0.000 0.295 32 V C -0.316 175.785 176.094 0.011 0.000 1.035 32 V CA -0.792 61.446 62.300 -0.104 0.000 0.896 32 V CB 1.863 33.624 31.823 -0.103 0.000 0.986 32 V HN 0.478 nan 8.190 nan 0.000 0.447 33 V N 3.871 123.811 119.914 0.043 0.000 2.350 33 V HA 0.358 4.478 4.120 -0.000 0.000 0.285 33 V C 0.508 176.640 176.094 0.062 0.000 1.014 33 V CA -0.554 61.772 62.300 0.044 0.000 0.831 33 V CB 1.872 33.710 31.823 0.026 0.000 1.000 33 V HN 1.064 nan 8.190 nan 0.000 0.433 34 T N 0.517 115.117 114.554 0.076 0.000 2.856 34 T HA 0.136 4.486 4.350 -0.000 0.000 0.306 34 T C 1.117 175.847 174.700 0.049 0.000 1.062 34 T CA -0.044 62.112 62.100 0.094 0.000 1.083 34 T CB 1.205 70.150 68.868 0.129 0.000 0.984 34 T HN 0.742 nan 8.240 nan 0.000 0.542 35 E N 0.798 121.032 120.200 0.055 0.000 2.097 35 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 35 E C 1.174 177.712 176.600 -0.103 0.000 1.000 35 E CA 1.643 58.050 56.400 0.011 0.000 0.804 35 E CB -0.113 29.655 29.700 0.113 0.000 0.740 35 E HN 0.872 nan 8.360 nan 0.000 0.454 36 D N -1.724 118.500 120.400 -0.295 0.000 2.325 36 D HA 0.058 4.697 4.640 -0.000 0.000 0.234 36 D C 1.093 177.388 176.300 -0.007 0.000 1.122 36 D CA 0.711 54.577 54.000 -0.224 0.000 0.850 36 D CB 0.423 40.935 40.800 -0.479 0.000 0.921 36 D HN 0.342 nan 8.370 nan 0.000 0.513 37 G N -0.461 108.338 108.800 -0.001 0.000 2.194 37 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 37 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 37 G C -0.146 174.573 174.900 -0.302 0.000 0.987 37 G CA -0.274 44.737 45.100 -0.148 0.000 0.635 37 G HN 0.350 nan 8.290 nan 0.000 0.520 38 Y N 0.315 120.532 120.300 -0.137 0.000 2.411 38 Y HA 0.570 5.120 4.550 -0.000 0.000 0.333 38 Y C 1.198 177.058 175.900 -0.066 0.000 1.186 38 Y CA -0.112 57.914 58.100 -0.122 0.000 1.381 38 Y CB 0.636 38.991 38.460 -0.175 0.000 1.273 38 Y HN 0.125 nan 8.280 nan 0.000 0.546 39 I N 4.989 125.620 120.570 0.101 0.000 2.354 39 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 39 I C -1.058 175.135 176.117 0.126 0.000 1.007 39 I CA -0.265 61.080 61.300 0.076 0.000 1.167 39 I CB 0.569 38.588 38.000 0.032 0.000 1.320 39 I HN 0.301 nan 8.210 nan 0.000 0.458 40 L N 5.908 127.196 121.223 0.108 0.000 2.313 40 L HA 0.510 4.850 4.340 -0.000 0.000 0.283 40 L C -0.084 176.859 176.870 0.122 0.000 1.013 40 L CA -0.820 54.100 54.840 0.133 0.000 0.816 40 L CB 1.219 43.350 42.059 0.121 0.000 1.236 40 L HN 0.405 nan 8.230 nan 0.000 0.419 41 E N 3.306 123.609 120.200 0.172 0.000 2.044 41 E HA 0.301 4.651 4.350 -0.000 0.000 0.282 41 E C -0.730 175.966 176.600 0.160 0.000 1.031 41 E CA -0.268 56.217 56.400 0.142 0.000 0.824 41 E CB 1.850 31.645 29.700 0.159 0.000 1.076 41 E HN 0.233 nan 8.360 nan 0.000 0.395 42 V N 4.315 124.324 119.914 0.158 0.000 2.472 42 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 42 V C 0.527 176.738 176.094 0.195 0.000 1.037 42 V CA -0.814 61.623 62.300 0.229 0.000 0.908 42 V CB 1.477 33.505 31.823 0.341 0.000 0.985 42 V HN 0.498 nan 8.190 nan 0.000 0.454 43 N N 3.717 122.488 118.700 0.119 0.000 2.456 43 N HA 0.477 5.217 4.740 -0.000 0.000 0.296 43 N C -0.709 174.731 175.510 -0.116 0.000 1.102 43 N CA -0.668 52.376 53.050 -0.011 0.000 0.924 43 N CB 2.215 40.668 38.487 -0.057 0.000 1.186 43 N HN 0.494 nan 8.380 nan 0.000 0.492 44 R N 2.373 122.709 120.500 -0.274 0.000 2.621 44 R HA 0.453 4.793 4.340 -0.000 0.000 0.292 44 R C -1.283 174.806 176.300 -0.352 0.000 0.969 44 R CA -0.495 55.248 56.100 -0.595 0.000 0.887 44 R CB 1.005 30.595 30.300 -1.183 0.000 1.180 44 R HN 0.583 nan 8.270 nan 0.000 0.450 45 I N 7.387 127.768 120.570 -0.314 0.000 2.460 45 I HA 0.265 4.435 4.170 -0.000 0.000 0.277 45 I C -1.352 174.671 176.117 -0.158 0.000 1.057 45 I CA -2.058 59.138 61.300 -0.174 0.000 1.179 45 I CB 1.984 39.935 38.000 -0.082 0.000 1.329 45 I HN 0.373 nan 8.210 nan 0.000 0.478 46 P HA -0.145 nan 4.420 nan 0.000 0.219 46 P C -0.496 176.912 177.300 0.179 0.000 1.146 46 P CA 1.681 64.788 63.100 0.012 0.000 0.808 46 P CB 0.049 31.811 31.700 0.103 0.000 0.779 47 Y N -4.566 115.782 120.300 0.080 0.000 2.779 47 Y HA 0.658 5.208 4.550 -0.000 0.000 0.340 47 Y C 0.218 176.195 175.900 0.128 0.000 1.252 47 Y CA -1.672 56.478 58.100 0.083 0.000 1.072 47 Y CB -0.121 38.361 38.460 0.036 0.000 1.343 47 Y HN -0.089 nan 8.280 nan 0.000 0.450 48 G N 0.927 109.888 108.800 0.268 0.000 2.699 48 G HA2 0.309 4.269 3.960 -0.000 0.000 0.246 48 G HA3 0.309 4.269 3.960 -0.000 0.000 0.246 48 G C 0.338 175.164 174.900 -0.122 0.000 1.219 48 G CA -0.369 44.814 45.100 0.138 0.000 0.866 48 G HN 0.884 nan 8.290 nan 0.000 0.572 49 K N -0.067 119.943 120.400 -0.650 0.000 2.522 49 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 49 K C 0.894 177.335 176.600 -0.266 0.000 1.026 49 K CA 0.754 56.634 56.287 -0.677 0.000 1.119 49 K CB 0.166 31.968 32.500 -1.162 0.000 0.856 49 K HN 0.741 nan 8.250 nan 0.000 0.513 50 K N -0.734 119.588 120.400 -0.130 0.000 1.934 50 K HA -0.077 4.243 4.320 -0.000 0.000 0.141 50 K C -0.710 175.875 176.600 -0.024 0.000 2.505 50 K CA -0.012 56.241 56.287 -0.056 0.000 1.204 50 K CB -0.663 31.791 32.500 -0.076 0.000 2.779 50 K HN 0.062 nan 8.250 nan 0.000 0.384 51 N N 2.342 121.021 118.700 -0.035 0.000 2.374 51 N HA 0.011 4.751 4.740 -0.000 0.000 0.269 51 N C -1.044 174.487 175.510 0.035 0.000 1.310 51 N CA 1.921 54.975 53.050 0.006 0.000 0.877 51 N CB 0.149 38.653 38.487 0.028 0.000 1.096 51 N HN 0.418 nan 8.380 nan 0.000 0.484 52 S N 0.725 116.435 115.700 0.016 0.000 3.608 52 S HA -0.127 4.343 4.470 -0.000 0.000 0.382 52 S C 0.671 175.303 174.600 0.054 0.000 0.945 52 S CA 0.608 58.817 58.200 0.015 0.000 1.256 52 S CB -1.608 61.602 63.200 0.017 0.000 0.913 52 S HN 0.884 nan 8.310 nan 0.000 0.518 58 R N 3.508 124.047 120.500 0.065 0.000 2.539 58 R HA 0.438 4.778 4.340 -0.000 0.000 0.275 58 R C -2.306 174.067 176.300 0.121 0.000 1.077 58 R CA -1.520 54.616 56.100 0.059 0.000 1.097 58 R CB 0.203 30.541 30.300 0.063 0.000 1.018 58 R HN 0.275 nan 8.270 nan 0.000 0.483 59 P HA -0.019 nan 4.420 nan 0.000 0.268 59 P C -0.469 177.045 177.300 0.358 0.000 1.204 59 P CA -0.020 63.240 63.100 0.267 0.000 0.768 59 P CB 0.780 32.696 31.700 0.361 0.000 0.842 60 V N 4.548 124.642 119.914 0.299 0.000 2.498 60 V HA 0.181 4.301 4.120 -0.000 0.000 0.279 60 V C 0.538 176.809 176.094 0.295 0.000 1.048 60 V CA -0.246 62.237 62.300 0.304 0.000 0.967 60 V CB 1.548 33.485 31.823 0.191 0.000 0.988 60 V HN 0.298 nan 8.190 nan 0.000 0.473 61 V N 5.896 125.971 119.914 0.268 0.000 2.443 61 V HA 0.406 4.526 4.120 -0.000 0.000 0.293 61 V C -0.701 175.478 176.094 0.143 0.000 1.021 61 V CA -0.567 61.813 62.300 0.133 0.000 0.848 61 V CB 1.585 33.347 31.823 -0.102 0.000 0.998 61 V HN 0.695 nan 8.190 nan 0.000 0.424 62 F N 6.146 126.078 119.950 -0.031 0.000 2.420 62 F HA 0.711 5.238 4.527 -0.000 0.000 0.342 62 F C -0.474 175.111 175.800 -0.358 0.000 1.113 62 F CA -0.577 57.381 58.000 -0.071 0.000 1.059 62 F CB 1.044 40.063 39.000 0.032 0.000 1.128 62 F HN 0.313 nan 8.300 nan 0.000 0.475 63 L N 6.183 126.822 121.223 -0.974 0.000 2.313 63 L HA 0.444 4.784 4.340 -0.000 0.000 0.283 63 L C -0.629 175.761 176.870 -0.799 0.000 1.013 63 L CA -0.881 53.267 54.840 -1.154 0.000 0.816 63 L CB 1.477 42.439 42.059 -1.828 0.000 1.236 63 L HN 0.467 nan 8.230 nan 0.000 0.419 64 Q N 3.945 123.515 119.800 -0.383 0.000 2.333 64 Q HA 0.254 4.594 4.340 -0.000 0.000 0.265 64 Q C -0.327 175.837 176.000 0.272 0.000 0.989 64 Q CA -0.471 55.306 55.803 -0.043 0.000 0.842 64 Q CB 1.630 30.355 28.738 -0.022 0.000 1.262 64 Q HN 0.600 nan 8.270 nan 0.000 0.451 65 H N 0.468 119.721 119.070 0.306 0.000 2.598 65 H HA 0.528 5.084 4.556 -0.000 0.000 0.371 65 H C -0.046 175.259 175.328 -0.038 0.000 1.468 65 H CA -0.050 56.000 56.048 0.004 0.000 1.454 65 H CB 0.593 30.239 29.762 -0.192 0.000 1.579 65 H HN 0.586 nan 8.280 nan 0.000 0.611 66 G N -0.356 108.450 108.800 0.010 0.000 2.828 66 G HA2 0.346 4.306 3.960 -0.000 0.000 0.244 66 G HA3 0.346 4.306 3.960 -0.000 0.000 0.244 66 G C -0.628 174.288 174.900 0.025 0.000 1.365 66 G CA -0.976 44.033 45.100 -0.150 0.000 1.041 66 G HN 0.577 nan 8.290 nan 0.000 0.560 67 L N 0.042 121.207 121.223 -0.097 0.000 2.578 67 L HA 0.108 4.448 4.340 -0.000 0.000 0.279 67 L C 1.115 177.945 176.870 -0.066 0.000 1.227 67 L CA 0.562 55.357 54.840 -0.076 0.000 0.900 67 L CB -0.402 41.486 42.059 -0.285 0.000 1.144 67 L HN 0.574 nan 8.230 nan 0.000 0.496 68 L N 3.302 124.525 121.223 0.001 0.000 4.137 68 L HA -0.343 3.997 4.340 -0.000 0.000 0.421 68 L C 0.741 177.583 176.870 -0.047 0.000 1.162 68 L CA 0.689 55.527 54.840 -0.005 0.000 0.978 68 L CB -2.087 39.948 42.059 -0.040 0.000 1.957 68 L HN 0.879 nan 8.230 nan 0.000 0.978 69 A N -0.964 121.813 122.820 -0.070 0.000 3.068 69 A HA 0.888 5.208 4.320 -0.000 0.000 0.229 69 A C 0.298 177.588 177.584 -0.490 0.000 1.561 69 A CA 0.464 52.369 52.037 -0.220 0.000 0.876 69 A CB 1.536 20.402 19.000 -0.223 0.000 1.700 69 A HN 0.204 nan 8.150 nan 0.000 0.535 70 S N -3.515 111.815 115.700 -0.617 0.000 2.556 70 S HA 0.519 4.989 4.470 -0.000 0.000 0.271 70 S C 0.426 174.792 174.600 -0.389 0.000 1.135 70 S CA 0.282 58.145 58.200 -0.562 0.000 0.858 70 S CB 1.376 64.509 63.200 -0.112 0.000 1.114 70 S HN 1.816 nan 8.310 nan 0.000 0.468 71 A N 1.750 124.531 122.820 -0.064 0.000 2.121 71 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 71 A C 1.921 179.552 177.584 0.080 0.000 1.154 71 A CA 2.006 54.163 52.037 0.200 0.000 0.679 71 A CB -1.331 17.839 19.000 0.283 0.000 0.795 71 A HN 1.303 nan 8.150 nan 0.000 0.458 72 T N -2.450 112.121 114.554 0.028 0.000 3.113 72 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 72 T C 1.391 176.052 174.700 -0.065 0.000 1.143 72 T CA 0.912 63.014 62.100 0.004 0.000 1.090 72 T CB -0.473 68.398 68.868 0.004 0.000 0.922 72 T HN 0.362 nan 8.240 nan 0.000 0.521 73 N N 1.747 120.306 118.700 -0.235 0.000 2.061 73 N HA -0.084 4.656 4.740 -0.000 0.000 0.193 73 N C 0.939 176.218 175.510 -0.385 0.000 1.030 73 N CA 1.365 54.159 53.050 -0.426 0.000 0.856 73 N CB -0.654 37.245 38.487 -0.978 0.000 1.023 73 N HN 0.752 nan 8.380 nan 0.000 0.424 74 W N -0.320 120.848 121.300 -0.220 0.000 2.961 74 W HA 0.194 4.854 4.660 0.000 0.000 0.240 74 W C 1.004 177.253 176.519 -0.449 0.000 1.305 74 W CA -0.442 56.700 57.345 -0.339 0.000 1.465 74 W CB -0.011 29.232 29.460 -0.362 0.000 1.135 74 W HN -0.011 nan 8.180 nan 0.000 0.688 75 I N -0.616 119.844 120.570 -0.182 0.000 4.541 75 I HA -0.032 4.138 4.170 -0.000 0.000 0.337 75 I C 2.024 178.093 176.117 -0.081 0.000 1.338 75 I CA 0.303 61.351 61.300 -0.420 0.000 1.244 75 I CB -0.255 37.534 38.000 -0.352 0.000 1.417 75 I HN -0.134 nan 8.210 nan 0.000 0.501 76 S N -0.336 115.402 115.700 0.063 0.000 2.603 76 S HA 0.163 4.633 4.470 -0.000 0.000 0.229 76 S C 1.034 175.786 174.600 0.254 0.000 0.972 76 S CA 0.278 58.597 58.200 0.198 0.000 0.935 76 S CB -0.315 63.096 63.200 0.351 0.000 0.769 76 S HN 0.316 nan 8.310 nan 0.000 0.536 77 N N 0.763 119.594 118.700 0.218 0.000 3.245 77 N HA 0.512 5.252 4.740 -0.000 0.000 0.333 77 N C -0.289 175.255 175.510 0.057 0.000 1.403 77 N CA -0.619 52.541 53.050 0.182 0.000 0.648 77 N CB -0.095 38.492 38.487 0.166 0.000 1.572 77 N HN 0.164 nan 8.380 nan 0.000 0.516 78 L N 2.099 123.269 121.223 -0.088 0.000 2.421 78 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 78 L C -1.234 175.383 176.870 -0.421 0.000 1.122 78 L CA -1.453 53.109 54.840 -0.464 0.000 0.804 78 L CB 0.900 42.808 42.059 -0.253 0.000 1.150 78 L HN 0.346 nan 8.230 nan 0.000 0.457 79 P HA -0.116 nan 4.420 nan 0.000 0.226 79 P C 0.445 177.704 177.300 -0.068 0.000 1.153 79 P CA 1.017 63.881 63.100 -0.393 0.000 0.777 79 P CB -0.060 31.313 31.700 -0.544 0.000 0.794 80 N N 0.626 119.274 118.700 -0.086 0.000 2.398 80 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 80 N C 0.598 176.142 175.510 0.057 0.000 1.122 80 N CA 0.213 53.265 53.050 0.003 0.000 0.866 80 N CB -1.333 37.150 38.487 -0.007 0.000 0.970 80 N HN 0.363 nan 8.380 nan 0.000 0.462 81 N N -2.047 116.696 118.700 0.073 0.000 2.301 81 N HA 0.110 4.850 4.740 -0.000 0.000 0.247 81 N C -1.227 174.418 175.510 0.224 0.000 1.347 81 N CA -0.566 52.579 53.050 0.158 0.000 0.844 81 N CB 0.338 38.891 38.487 0.111 0.000 1.332 81 N HN -0.142 nan 8.380 nan 0.000 0.494 82 S N 1.219 116.990 115.700 0.118 0.000 2.596 82 S HA 0.250 4.720 4.470 -0.000 0.000 0.318 82 S C 1.090 175.547 174.600 -0.238 0.000 1.097 82 S CA -0.781 57.410 58.200 -0.016 0.000 1.080 82 S CB 1.939 65.086 63.200 -0.089 0.000 0.991 82 S HN 0.246 nan 8.310 nan 0.000 0.471 83 L N 2.997 123.869 121.223 -0.585 0.000 2.011 83 L HA -0.328 4.012 4.340 -0.000 0.000 0.225 83 L C 2.568 179.152 176.870 -0.476 0.000 1.084 83 L CA 2.488 56.840 54.840 -0.813 0.000 0.791 83 L CB -0.711 40.738 42.059 -1.017 0.000 0.898 83 L HN 0.863 nan 8.230 nan 0.000 0.440 84 A N -0.409 122.141 122.820 -0.450 0.000 1.892 84 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 84 A C 1.895 179.290 177.584 -0.315 0.000 1.188 84 A CA 2.216 53.994 52.037 -0.431 0.000 0.631 84 A CB -0.957 17.748 19.000 -0.491 0.000 0.822 84 A HN 0.456 nan 8.150 nan 0.000 0.447 85 F N 0.044 119.813 119.950 -0.303 0.000 2.113 85 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 85 F C 2.301 178.038 175.800 -0.104 0.000 1.103 85 F CA 0.774 58.545 58.000 -0.381 0.000 1.248 85 F CB -0.928 37.738 39.000 -0.557 0.000 0.999 85 F HN 0.421 nan 8.300 nan 0.000 0.475 86 I N -0.957 119.660 120.570 0.078 0.000 2.286 86 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 86 I C 2.045 178.198 176.117 0.060 0.000 1.115 86 I CA 1.633 62.978 61.300 0.075 0.000 1.392 86 I CB -0.561 37.464 38.000 0.041 0.000 1.065 86 I HN 0.107 nan 8.210 nan 0.000 0.418 87 L N 1.140 122.343 121.223 -0.034 0.000 2.131 87 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 87 L C 2.994 179.973 176.870 0.182 0.000 1.092 87 L CA 1.309 56.143 54.840 -0.010 0.000 0.759 87 L CB -0.683 41.255 42.059 -0.201 0.000 0.903 87 L HN 0.444 nan 8.230 nan 0.000 0.435 88 A N -0.262 122.653 122.820 0.157 0.000 1.873 88 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 88 A C 1.870 179.596 177.584 0.235 0.000 1.186 88 A CA 1.746 53.918 52.037 0.225 0.000 0.616 88 A CB -0.456 18.724 19.000 0.299 0.000 0.823 88 A HN 0.346 nan 8.150 nan 0.000 0.442 89 D N 0.177 120.726 120.400 0.249 0.000 2.264 89 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 89 D C 1.803 178.176 176.300 0.122 0.000 0.966 89 D CA 1.219 55.324 54.000 0.174 0.000 0.864 89 D CB -0.210 40.692 40.800 0.171 0.000 0.933 89 D HN 0.450 nan 8.370 nan 0.000 0.499 90 A N -0.216 122.699 122.820 0.157 0.000 2.238 90 A HA 0.397 4.717 4.320 -0.000 0.000 0.208 90 A C 1.681 179.260 177.584 -0.009 0.000 1.177 90 A CA 0.979 53.108 52.037 0.153 0.000 0.804 90 A CB -0.011 19.166 19.000 0.295 0.000 0.823 90 A HN 0.239 nan 8.150 nan 0.000 0.482 91 G N -2.526 106.252 108.800 -0.037 0.000 2.138 91 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.193 91 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.193 91 G C -0.176 174.500 174.900 -0.373 0.000 0.998 91 G CA 0.103 45.067 45.100 -0.226 0.000 0.668 91 G HN 0.406 nan 8.290 nan 0.000 0.516 92 Y N -0.122 120.212 120.300 0.057 0.000 2.568 92 Y HA 0.660 5.210 4.550 -0.000 0.000 0.327 92 Y C 0.210 176.165 175.900 0.092 0.000 1.163 92 Y CA -1.228 56.911 58.100 0.065 0.000 1.219 92 Y CB 1.094 39.566 38.460 0.021 0.000 1.308 92 Y HN 0.032 nan 8.280 nan 0.000 0.503 93 D N 0.856 121.438 120.400 0.303 0.000 2.443 93 D HA 0.339 4.979 4.640 -0.000 0.000 0.221 93 D C -1.371 175.083 176.300 0.256 0.000 1.097 93 D CA -0.179 53.970 54.000 0.249 0.000 0.865 93 D CB 0.567 41.556 40.800 0.314 0.000 1.034 93 D HN 0.246 nan 8.370 nan 0.000 0.511 94 V N 4.316 124.279 119.914 0.083 0.000 2.406 94 V HA 0.345 4.465 4.120 -0.000 0.000 0.272 94 V C -0.287 175.743 176.094 -0.107 0.000 1.043 94 V CA -0.596 61.706 62.300 0.004 0.000 0.915 94 V CB 0.548 32.308 31.823 -0.106 0.000 0.988 94 V HN 0.462 nan 8.190 nan 0.000 0.466 95 W N 4.988 126.255 121.300 -0.056 0.000 2.532 95 W HA 0.676 5.336 4.660 -0.000 0.000 0.321 95 W C -0.521 175.824 176.519 -0.290 0.000 1.037 95 W CA -0.594 56.732 57.345 -0.032 0.000 1.220 95 W CB 1.469 31.036 29.460 0.180 0.000 1.361 95 W HN 0.362 nan 8.180 nan 0.000 0.468 96 L N 4.448 125.638 121.223 -0.056 0.000 2.259 96 L HA 0.531 4.871 4.340 -0.000 0.000 0.288 96 L C 1.038 177.844 176.870 -0.107 0.000 1.051 96 L CA -0.782 53.956 54.840 -0.171 0.000 0.824 96 L CB 0.231 42.280 42.059 -0.017 0.000 1.206 96 L HN 0.563 nan 8.230 nan 0.000 0.429 97 G N 2.489 111.023 108.800 -0.445 0.000 2.441 97 G HA2 0.049 4.009 3.960 -0.000 0.000 0.243 97 G HA3 0.049 4.009 3.960 -0.000 0.000 0.243 97 G C -0.567 174.432 174.900 0.165 0.000 1.281 97 G CA -0.264 44.803 45.100 -0.056 0.000 0.854 97 G HN 0.758 nan 8.290 nan 0.000 0.560 98 N N 0.354 119.201 118.700 0.245 0.000 2.314 98 N HA 0.397 5.137 4.740 -0.000 0.000 0.294 98 N C -0.494 175.148 175.510 0.219 0.000 1.029 98 N CA -0.545 52.668 53.050 0.272 0.000 0.845 98 N CB 1.287 39.935 38.487 0.269 0.000 1.321 98 N HN 0.404 nan 8.380 nan 0.000 0.481 99 S N 1.064 116.901 115.700 0.229 0.000 2.654 99 S HA 0.328 4.798 4.470 -0.000 0.000 0.283 99 S C -0.322 174.278 174.600 -0.000 0.000 1.180 99 S CA -0.893 57.365 58.200 0.097 0.000 1.021 99 S CB 0.971 64.236 63.200 0.109 0.000 1.018 99 S HN 0.598 nan 8.310 nan 0.000 0.532 100 R N 0.464 120.807 120.500 -0.262 0.000 2.538 100 R HA 0.398 4.738 4.340 -0.000 0.000 0.282 100 R C 0.983 177.086 176.300 -0.328 0.000 1.009 100 R CA 0.546 56.349 56.100 -0.496 0.000 1.063 100 R CB -0.590 28.938 30.300 -1.286 0.000 0.945 100 R HN 0.911 nan 8.270 nan 0.000 0.414 101 G N 2.590 111.422 108.800 0.053 0.000 2.349 101 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.213 101 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.213 101 G C -0.089 175.096 174.900 0.474 0.000 1.044 101 G CA 0.067 45.403 45.100 0.393 0.000 0.633 101 G HN 0.909 nan 8.290 nan 0.000 0.506 102 N N 0.779 119.670 118.700 0.317 0.000 2.408 102 N HA 0.444 5.184 4.740 -0.000 0.000 0.260 102 N C -0.078 175.514 175.510 0.136 0.000 1.242 102 N CA 0.101 53.294 53.050 0.238 0.000 0.959 102 N CB 0.446 39.048 38.487 0.191 0.000 1.201 102 N HN 0.090 nan 8.380 nan 0.000 0.511 103 T N 1.113 115.650 114.554 -0.027 0.000 2.867 103 T HA -0.171 4.179 4.350 -0.000 0.000 0.290 103 T C 0.115 174.720 174.700 -0.159 0.000 1.025 103 T CA 0.505 62.396 62.100 -0.349 0.000 1.146 103 T CB -0.390 68.016 68.868 -0.770 0.000 1.024 103 T HN 0.668 nan 8.240 nan 0.000 0.519 104 W N -0.353 121.025 121.300 0.130 0.000 2.829 104 W HA -0.263 4.397 4.660 -0.000 0.000 0.293 104 W C 0.488 177.079 176.519 0.121 0.000 1.133 104 W CA 0.313 57.723 57.345 0.108 0.000 0.572 104 W CB -2.343 27.172 29.460 0.092 0.000 2.175 104 W HN 0.876 nan 8.180 nan 0.000 1.311 105 A N -0.169 122.803 122.820 0.254 0.000 2.676 105 A HA 0.515 4.835 4.320 -0.000 0.000 0.258 105 A C 0.870 178.633 177.584 0.299 0.000 0.898 105 A CA -0.441 51.743 52.037 0.246 0.000 1.087 105 A CB 0.282 19.410 19.000 0.214 0.000 1.214 105 A HN 0.118 nan 8.150 nan 0.000 0.474 106 R N 0.746 121.392 120.500 0.244 0.000 3.130 106 R HA 0.367 4.707 4.340 -0.000 0.000 0.348 106 R C -0.545 175.785 176.300 0.050 0.000 1.241 106 R CA -0.053 56.165 56.100 0.197 0.000 1.141 106 R CB 0.499 30.809 30.300 0.017 0.000 1.453 106 R HN 0.329 nan 8.270 nan 0.000 0.590 107 R N 0.511 121.182 120.500 0.285 0.000 2.740 107 R HA 0.379 4.719 4.340 -0.000 0.000 0.273 107 R C -1.147 175.258 176.300 0.174 0.000 0.998 107 R CA -0.891 55.299 56.100 0.150 0.000 0.900 107 R CB 2.279 32.614 30.300 0.057 0.000 1.223 107 R HN 0.062 nan 8.270 nan 0.000 0.466 108 N N 2.150 120.826 118.700 -0.040 0.000 2.308 108 N HA 0.173 4.913 4.740 -0.000 0.000 0.283 108 N C 0.493 175.697 175.510 -0.509 0.000 1.105 108 N CA -0.372 52.445 53.050 -0.388 0.000 0.840 108 N CB 1.926 39.984 38.487 -0.714 0.000 1.633 108 N HN 0.516 nan 8.380 nan 0.000 0.476 109 L N 1.970 122.769 121.223 -0.705 0.000 2.187 109 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 109 L C 0.727 177.000 176.870 -0.996 0.000 1.100 109 L CA 1.455 55.759 54.840 -0.895 0.000 0.765 109 L CB -0.332 40.990 42.059 -1.227 0.000 0.904 109 L HN 0.599 nan 8.230 nan 0.000 0.437 110 Y N -2.442 117.549 120.300 -0.515 0.000 2.453 110 Y HA 0.218 4.768 4.550 -0.000 0.000 0.247 110 Y C -0.126 175.614 175.900 -0.267 0.000 1.124 110 Y CA -1.204 56.659 58.100 -0.396 0.000 1.243 110 Y CB 0.107 38.368 38.460 -0.332 0.000 1.213 110 Y HN 0.034 nan 8.280 nan 0.000 0.523 111 Y N -3.165 117.179 120.300 0.073 0.000 2.609 111 Y HA 0.642 5.192 4.550 -0.000 0.000 0.336 111 Y C -0.220 175.735 175.900 0.091 0.000 1.129 111 Y CA -2.306 55.854 58.100 0.100 0.000 1.040 111 Y CB 0.818 39.364 38.460 0.144 0.000 1.310 111 Y HN -0.269 nan 8.280 nan 0.000 0.460 112 S N 0.571 116.422 115.700 0.252 0.000 2.652 112 S HA 0.425 4.895 4.470 -0.000 0.000 0.270 112 S C -2.012 172.591 174.600 0.006 0.000 1.243 112 S CA -1.615 56.642 58.200 0.095 0.000 0.999 112 S CB 0.923 64.171 63.200 0.079 0.000 0.973 112 S HN 0.563 nan 8.310 nan 0.000 0.544 113 P HA 0.050 nan 4.420 nan 0.000 0.226 113 P C 0.084 177.445 177.300 0.103 0.000 1.153 113 P CA 0.734 63.502 63.100 -0.554 0.000 0.777 113 P CB 0.048 31.493 31.700 -0.424 0.000 0.794 114 D N -1.052 119.419 120.400 0.118 0.000 2.340 114 D HA 0.009 4.649 4.640 -0.000 0.000 0.220 114 D C 0.763 177.197 176.300 0.223 0.000 1.039 114 D CA 0.533 54.640 54.000 0.179 0.000 0.866 114 D CB 0.054 40.919 40.800 0.108 0.000 0.913 114 D HN 0.269 nan 8.370 nan 0.000 0.523 115 S N -0.681 115.181 115.700 0.271 0.000 2.687 115 S HA 0.307 4.777 4.470 -0.000 0.000 0.283 115 S C 1.358 176.177 174.600 0.366 0.000 1.170 115 S CA -0.802 57.559 58.200 0.269 0.000 1.008 115 S CB 2.262 65.609 63.200 0.245 0.000 1.026 115 S HN -0.163 nan 8.310 nan 0.000 0.541 116 V N 1.090 121.160 119.914 0.259 0.000 2.453 116 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 116 V C 2.736 178.973 176.094 0.238 0.000 1.048 116 V CA 2.058 64.516 62.300 0.263 0.000 1.049 116 V CB -1.094 30.825 31.823 0.161 0.000 0.672 116 V HN 1.060 nan 8.190 nan 0.000 0.457 117 E N -0.195 120.061 120.200 0.094 0.000 2.118 117 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 117 E C 2.057 178.570 176.600 -0.145 0.000 0.992 117 E CA 1.553 57.877 56.400 -0.127 0.000 0.804 117 E CB -0.198 29.258 29.700 -0.408 0.000 0.741 117 E HN 0.579 nan 8.360 nan 0.000 0.458 118 F N -0.367 119.528 119.950 -0.090 0.000 2.126 118 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 118 F C 1.142 177.005 175.800 0.104 0.000 1.096 118 F CA 1.647 59.701 58.000 0.089 0.000 1.255 118 F CB -0.201 38.794 39.000 -0.009 0.000 0.997 118 F HN 0.085 nan 8.300 nan 0.000 0.479 119 W N 0.190 121.755 121.300 0.441 0.000 3.256 119 W HA 0.377 5.037 4.660 -0.000 0.000 0.269 119 W C 1.292 177.616 176.519 -0.326 0.000 1.310 119 W CA 0.328 57.694 57.345 0.034 0.000 1.673 119 W CB -0.723 28.770 29.460 0.055 0.000 1.115 119 W HN -0.008 nan 8.180 nan 0.000 0.686 120 A N 1.626 124.507 122.820 0.102 0.000 3.051 120 A HA 0.360 4.680 4.320 -0.000 0.000 0.257 120 A C -0.635 177.020 177.584 0.119 0.000 1.785 120 A CA 0.205 52.294 52.037 0.086 0.000 1.420 120 A CB -1.809 17.332 19.000 0.235 0.000 1.063 120 A HN 0.238 nan 8.150 nan 0.000 0.630 121 F N -1.615 118.312 119.950 -0.039 0.000 2.685 121 F HA 0.838 5.365 4.527 -0.000 0.000 0.315 121 F C -0.124 175.530 175.800 -0.243 0.000 1.126 121 F CA -0.788 57.136 58.000 -0.126 0.000 0.950 121 F CB 0.861 39.773 39.000 -0.146 0.000 1.360 121 F HN 0.110 nan 8.300 nan 0.000 0.469 122 S N 0.136 115.879 115.700 0.073 0.000 2.840 122 S HA 0.474 4.944 4.470 -0.000 0.000 0.307 122 S C 0.308 174.943 174.600 0.058 0.000 1.180 122 S CA -0.296 57.853 58.200 -0.085 0.000 0.846 122 S CB 0.664 63.580 63.200 -0.473 0.000 1.233 122 S HN 0.978 nan 8.310 nan 0.000 0.548 123 F N 0.610 120.589 119.950 0.048 0.000 2.408 123 F HA 0.109 4.636 4.527 -0.000 0.000 0.300 123 F C 1.397 177.206 175.800 0.015 0.000 1.090 123 F CA 0.752 58.755 58.000 0.004 0.000 1.427 123 F CB -1.179 37.771 39.000 -0.083 0.000 1.070 123 F HN 0.326 nan 8.300 nan 0.000 0.549 124 D N 1.464 121.829 120.400 -0.057 0.000 2.103 124 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 124 D C 1.984 178.333 176.300 0.083 0.000 0.997 124 D CA 1.982 56.040 54.000 0.096 0.000 0.833 124 D CB -0.405 40.479 40.800 0.140 0.000 0.961 124 D HN 0.352 nan 8.370 nan 0.000 0.447 125 E N 0.097 120.359 120.200 0.103 0.000 2.110 125 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 125 E C 2.272 178.893 176.600 0.035 0.000 0.988 125 E CA 0.612 57.088 56.400 0.128 0.000 0.804 125 E CB -0.252 29.555 29.700 0.179 0.000 0.745 125 E HN 0.366 nan 8.360 nan 0.000 0.458 126 M N -0.171 119.430 119.600 0.001 0.000 2.080 126 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 126 M C 2.313 178.595 176.300 -0.030 0.000 1.068 126 M CA 1.779 57.065 55.300 -0.024 0.000 1.109 126 M CB -0.349 32.268 32.600 0.029 0.000 1.342 126 M HN 0.188 nan 8.290 nan 0.000 0.405 127 A N 0.036 122.831 122.820 -0.040 0.000 1.897 127 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 127 A C 2.173 179.667 177.584 -0.150 0.000 1.181 127 A CA 1.672 53.639 52.037 -0.117 0.000 0.620 127 A CB -0.544 18.376 19.000 -0.132 0.000 0.821 127 A HN 0.426 nan 8.150 nan 0.000 0.443 128 K N -2.334 117.950 120.400 -0.194 0.000 2.103 128 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 128 K C 1.385 177.689 176.600 -0.493 0.000 1.052 128 K CA 1.522 57.572 56.287 -0.395 0.000 0.945 128 K CB -0.111 32.027 32.500 -0.604 0.000 0.722 128 K HN 0.567 nan 8.250 nan 0.000 0.443 129 Y N -0.116 120.183 120.300 -0.002 0.000 2.697 129 Y HA 0.101 4.651 4.550 -0.000 0.000 0.268 129 Y C 1.816 177.704 175.900 -0.020 0.000 1.092 129 Y CA 0.006 58.105 58.100 -0.002 0.000 1.304 129 Y CB -0.476 37.992 38.460 0.013 0.000 1.446 129 Y HN -0.015 nan 8.280 nan 0.000 0.491 130 D N 0.768 121.235 120.400 0.113 0.000 2.103 130 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 130 D C 2.268 178.589 176.300 0.035 0.000 0.997 130 D CA 1.466 55.497 54.000 0.050 0.000 0.833 130 D CB -0.501 40.298 40.800 -0.003 0.000 0.961 130 D HN 0.150 nan 8.370 nan 0.000 0.447 131 L N 0.153 121.371 121.223 -0.009 0.000 1.970 131 L HA -0.137 4.202 4.340 -0.000 0.000 0.212 131 L C -0.623 176.189 176.870 -0.097 0.000 1.071 131 L CA 1.538 56.333 54.840 -0.075 0.000 0.751 131 L CB -1.178 40.800 42.059 -0.135 0.000 0.889 131 L HN 0.089 nan 8.230 nan 0.000 0.432 132 P HA -0.234 nan 4.420 nan 0.000 0.214 132 P C 1.415 178.703 177.300 -0.020 0.000 1.169 132 P CA 2.132 65.206 63.100 -0.044 0.000 0.908 132 P CB -0.109 31.582 31.700 -0.013 0.000 0.791 133 A N -0.922 121.917 122.820 0.031 0.000 1.859 133 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 133 A C 2.289 179.902 177.584 0.048 0.000 1.198 133 A CA 3.053 55.125 52.037 0.059 0.000 0.629 133 A CB -2.031 17.023 19.000 0.090 0.000 0.830 133 A HN 0.208 nan 8.150 nan 0.000 0.446 134 T N 0.146 114.710 114.554 0.017 0.000 2.720 134 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 134 T C 1.814 176.465 174.700 -0.082 0.000 1.037 134 T CA 1.617 63.720 62.100 0.006 0.000 1.144 134 T CB -0.404 68.494 68.868 0.050 0.000 0.864 134 T HN 0.414 nan 8.240 nan 0.000 0.444 135 I N 0.941 121.397 120.570 -0.190 0.000 2.286 135 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 135 I C 2.310 178.327 176.117 -0.167 0.000 1.104 135 I CA 1.030 62.173 61.300 -0.260 0.000 1.397 135 I CB -0.303 37.514 38.000 -0.304 0.000 1.072 135 I HN 0.112 nan 8.210 nan 0.000 0.417 136 D N 0.806 121.153 120.400 -0.089 0.000 2.116 136 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 136 D C 1.904 178.162 176.300 -0.070 0.000 0.998 136 D CA 1.418 55.378 54.000 -0.067 0.000 0.836 136 D CB -0.458 40.332 40.800 -0.017 0.000 0.951 136 D HN 0.237 nan 8.370 nan 0.000 0.449 137 F N 1.352 121.211 119.950 -0.152 0.000 2.065 137 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 137 F C 2.292 177.918 175.800 -0.291 0.000 1.112 137 F CA 1.366 59.269 58.000 -0.162 0.000 1.212 137 F CB -0.379 38.553 39.000 -0.113 0.000 0.975 137 F HN -0.111 nan 8.300 nan 0.000 0.476 138 I N -0.632 119.826 120.570 -0.188 0.000 2.208 138 I HA -0.332 3.837 4.170 -0.000 0.000 0.245 138 I C 2.287 178.152 176.117 -0.420 0.000 1.097 138 I CA 1.294 62.239 61.300 -0.592 0.000 1.363 138 I CB -0.671 36.797 38.000 -0.886 0.000 1.051 138 I HN 0.052 nan 8.210 nan 0.000 0.413 139 V N 0.987 120.724 119.914 -0.295 0.000 2.233 139 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 139 V C 2.544 178.516 176.094 -0.204 0.000 1.050 139 V CA 2.277 64.451 62.300 -0.210 0.000 1.010 139 V CB -0.704 31.021 31.823 -0.163 0.000 0.637 139 V HN 0.422 nan 8.190 nan 0.000 0.444 140 K N -0.226 120.035 120.400 -0.232 0.000 2.113 140 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 140 K C 2.349 178.788 176.600 -0.268 0.000 1.047 140 K CA 1.628 57.777 56.287 -0.231 0.000 0.928 140 K CB -0.143 32.209 32.500 -0.247 0.000 0.716 140 K HN 0.178 nan 8.250 nan 0.000 0.446 141 K N 0.153 120.316 120.400 -0.396 0.000 2.103 141 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 141 K C 1.928 178.447 176.600 -0.134 0.000 1.052 141 K CA 1.866 57.950 56.287 -0.337 0.000 0.945 141 K CB -0.077 32.126 32.500 -0.495 0.000 0.722 141 K HN 0.460 nan 8.250 nan 0.000 0.443 142 T N -3.926 110.562 114.554 -0.110 0.000 3.057 142 T HA 0.160 4.510 4.350 -0.000 0.000 0.254 142 T C 1.437 176.123 174.700 -0.023 0.000 1.094 142 T CA 0.898 62.993 62.100 -0.007 0.000 1.088 142 T CB 0.261 69.151 68.868 0.037 0.000 0.934 142 T HN 0.284 nan 8.240 nan 0.000 0.497 143 G N 1.168 109.929 108.800 -0.065 0.000 2.212 143 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.266 143 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.266 143 G C 0.112 174.986 174.900 -0.042 0.000 0.978 143 G CA 0.058 45.128 45.100 -0.051 0.000 0.632 143 G HN 0.617 nan 8.290 nan 0.000 0.537 144 Q N -0.042 119.736 119.800 -0.037 0.000 2.311 144 Q HA 0.342 4.682 4.340 -0.000 0.000 0.272 144 Q C 1.210 177.177 176.000 -0.056 0.000 1.012 144 Q CA 0.299 56.085 55.803 -0.028 0.000 0.891 144 Q CB 1.462 30.196 28.738 -0.007 0.000 1.201 144 Q HN 0.333 nan 8.270 nan 0.000 0.391 145 K N 1.698 122.069 120.400 -0.050 0.000 2.305 145 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 145 K C 0.235 176.786 176.600 -0.081 0.000 1.047 145 K CA 1.113 57.362 56.287 -0.063 0.000 0.976 145 K CB 0.641 33.112 32.500 -0.049 0.000 0.765 145 K HN 0.504 nan 8.250 nan 0.000 0.474 146 Q N -0.586 119.167 119.800 -0.079 0.000 2.495 146 Q HA 0.510 4.849 4.340 -0.000 0.000 0.287 146 Q C -1.449 174.483 176.000 -0.112 0.000 1.078 146 Q CA -1.254 54.482 55.803 -0.112 0.000 0.793 146 Q CB 2.065 30.731 28.738 -0.121 0.000 1.459 146 Q HN 0.046 nan 8.270 nan 0.000 0.422 147 L N -2.998 118.133 121.223 -0.153 0.000 2.502 147 L HA 0.606 4.946 4.340 -0.000 0.000 0.253 147 L C -1.152 175.606 176.870 -0.186 0.000 1.070 147 L CA -0.896 53.880 54.840 -0.108 0.000 0.871 147 L CB 1.519 43.564 42.059 -0.023 0.000 1.487 147 L HN 0.505 nan 8.230 nan 0.000 0.408 148 H N 0.369 119.506 119.070 0.112 0.000 2.488 148 H HA 0.364 4.920 4.556 -0.000 0.000 0.322 148 H C -1.678 173.781 175.328 0.218 0.000 1.078 148 H CA -0.162 55.990 56.048 0.174 0.000 1.260 148 H CB 1.693 31.509 29.762 0.091 0.000 1.425 148 H HN 0.725 nan 8.280 nan 0.000 0.471 149 Y N 3.155 123.607 120.300 0.253 0.000 2.331 149 Y HA 0.329 4.879 4.550 -0.000 0.000 0.338 149 Y C -0.961 175.121 175.900 0.302 0.000 0.992 149 Y CA -0.583 57.647 58.100 0.216 0.000 1.121 149 Y CB 0.895 39.408 38.460 0.088 0.000 1.184 149 Y HN 0.291 nan 8.280 nan 0.000 0.469 150 V N 6.238 125.943 119.914 -0.347 0.000 2.407 150 V HA 0.668 4.788 4.120 -0.000 0.000 0.291 150 V C 0.105 175.909 176.094 -0.483 0.000 1.018 150 V CA -0.476 61.669 62.300 -0.259 0.000 0.842 150 V CB 1.311 32.861 31.823 -0.455 0.000 0.996 150 V HN 0.972 nan 8.190 nan 0.000 0.426 151 G N 2.366 111.124 108.800 -0.070 0.000 2.448 151 G HA2 0.609 4.569 3.960 -0.000 0.000 0.324 151 G HA3 0.609 4.569 3.960 -0.000 0.000 0.324 151 G C -1.336 173.708 174.900 0.240 0.000 1.203 151 G CA -0.436 44.694 45.100 0.049 0.000 0.954 151 G HN 0.771 nan 8.290 nan 0.000 0.480 152 H N 1.374 120.530 119.070 0.143 0.000 2.572 152 H HA 0.532 5.088 4.556 -0.000 0.000 0.359 152 H C 0.738 175.996 175.328 -0.118 0.000 1.134 152 H CA 0.230 56.275 56.048 -0.006 0.000 1.187 152 H CB 2.035 31.747 29.762 -0.083 0.000 1.597 152 H HN 0.831 nan 8.280 nan 0.000 0.524 153 S N 2.194 117.441 115.700 -0.756 0.000 4.050 153 S HA -0.400 4.070 4.470 -0.000 0.000 0.602 153 S C 1.709 176.130 174.600 -0.299 0.000 2.030 153 S CA 1.958 59.794 58.200 -0.607 0.000 4.208 153 S CB -1.343 61.330 63.200 -0.879 0.000 0.290 153 S HN 0.935 nan 8.310 nan 0.000 0.615 154 Q N 0.955 120.601 119.800 -0.257 0.000 2.248 154 Q HA -0.120 4.220 4.340 -0.000 0.000 0.208 154 Q C 2.172 178.100 176.000 -0.121 0.000 0.984 154 Q CA 1.892 57.619 55.803 -0.126 0.000 0.875 154 Q CB -1.109 27.618 28.738 -0.017 0.000 0.910 154 Q HN 0.795 nan 8.270 nan 0.000 0.433 155 G N 0.003 108.728 108.800 -0.125 0.000 2.442 155 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 155 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 155 G C 1.444 176.334 174.900 -0.017 0.000 1.141 155 G CA 1.539 46.609 45.100 -0.051 0.000 0.763 155 G HN 0.578 nan 8.290 nan 0.000 0.554 156 T N -1.809 112.703 114.554 -0.070 0.000 2.857 156 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 156 T C 2.370 176.699 174.700 -0.619 0.000 1.048 156 T CA 2.224 64.236 62.100 -0.147 0.000 1.139 156 T CB -0.678 68.052 68.868 -0.230 0.000 0.874 156 T HN 0.276 nan 8.240 nan 0.000 0.455 157 T N 0.442 114.756 114.554 -0.400 0.000 2.951 157 T HA 0.102 4.452 4.350 -0.000 0.000 0.268 157 T C 1.963 176.547 174.700 -0.193 0.000 1.073 157 T CA 0.725 62.669 62.100 -0.259 0.000 1.134 157 T CB -0.700 68.074 68.868 -0.157 0.000 0.884 157 T HN 0.513 nan 8.240 nan 0.000 0.479 158 I N 1.138 121.577 120.570 -0.219 0.000 2.202 158 I HA -0.002 4.168 4.170 -0.000 0.000 0.242 158 I C 2.953 178.812 176.117 -0.429 0.000 1.091 158 I CA 1.327 62.504 61.300 -0.204 0.000 1.368 158 I CB -0.874 37.053 38.000 -0.121 0.000 1.058 158 I HN 0.443 nan 8.210 nan 0.000 0.410 159 G N 0.966 109.389 108.800 -0.628 0.000 2.446 159 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 159 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 159 G C 1.446 175.906 174.900 -0.734 0.000 1.168 159 G CA 0.583 44.864 45.100 -1.365 0.000 0.771 159 G HN 0.158 nan 8.290 nan 0.000 0.551 160 F N 1.110 121.030 119.950 -0.049 0.000 2.065 160 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 160 F C 2.712 178.506 175.800 -0.009 0.000 1.112 160 F CA 0.479 58.555 58.000 0.126 0.000 1.212 160 F CB -0.934 38.189 39.000 0.206 0.000 0.975 160 F HN 0.096 nan 8.300 nan 0.000 0.476 161 I N -0.376 120.206 120.570 0.020 0.000 2.142 161 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 161 I C 2.666 178.684 176.117 -0.164 0.000 1.078 161 I CA 1.241 62.382 61.300 -0.265 0.000 1.343 161 I CB -0.994 36.682 38.000 -0.540 0.000 1.046 161 I HN 0.089 nan 8.210 nan 0.000 0.405 162 A N 1.522 124.170 122.820 -0.287 0.000 1.849 162 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 162 A C 2.040 179.607 177.584 -0.029 0.000 1.202 162 A CA 1.867 53.747 52.037 -0.261 0.000 0.629 162 A CB -1.158 17.526 19.000 -0.527 0.000 0.834 162 A HN 0.372 nan 8.150 nan 0.000 0.447 163 F N 1.035 120.922 119.950 -0.105 0.000 2.408 163 F HA -0.059 4.468 4.527 0.000 0.000 0.300 163 F C 2.584 178.399 175.800 0.025 0.000 1.090 163 F CA 0.922 58.887 58.000 -0.059 0.000 1.427 163 F CB -1.017 37.952 39.000 -0.051 0.000 1.070 163 F HN 0.366 nan 8.300 nan 0.000 0.549 164 S N -1.782 114.045 115.700 0.213 0.000 2.540 164 S HA 0.071 4.541 4.470 -0.000 0.000 0.218 164 S C 1.187 175.856 174.600 0.115 0.000 0.977 164 S CA 0.505 58.805 58.200 0.167 0.000 0.918 164 S CB -0.558 62.752 63.200 0.183 0.000 0.806 164 S HN 0.365 nan 8.310 nan 0.000 0.496 165 T N -2.498 112.111 114.554 0.092 0.000 3.080 165 T HA 0.324 4.674 4.350 -0.000 0.000 0.280 165 T C 0.030 174.756 174.700 0.043 0.000 0.926 165 T CA -0.367 61.773 62.100 0.067 0.000 0.883 165 T CB -0.181 68.732 68.868 0.074 0.000 1.194 165 T HN 0.232 nan 8.240 nan 0.000 0.541 166 N N 2.653 121.381 118.700 0.048 0.000 2.841 166 N HA 0.339 5.079 4.740 -0.000 0.000 0.257 166 N C -1.860 173.667 175.510 0.028 0.000 1.396 166 N CA -2.292 50.775 53.050 0.028 0.000 0.823 166 N CB 1.822 40.319 38.487 0.017 0.000 1.162 166 N HN 0.045 nan 8.380 nan 0.000 0.503 167 P HA -0.227 nan 4.420 nan 0.000 0.217 167 P C 1.141 178.429 177.300 -0.020 0.000 1.162 167 P CA 1.661 64.763 63.100 0.003 0.000 0.901 167 P CB 0.026 31.728 31.700 0.003 0.000 0.793 168 S N -0.140 115.548 115.700 -0.020 0.000 2.419 168 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 168 S C 2.197 176.765 174.600 -0.054 0.000 1.019 168 S CA 0.852 59.031 58.200 -0.035 0.000 0.982 168 S CB -1.520 61.664 63.200 -0.027 0.000 0.789 168 S HN 0.102 nan 8.310 nan 0.000 0.490 169 L N 1.080 122.276 121.223 -0.045 0.000 2.068 169 L HA 0.074 4.414 4.340 -0.000 0.000 0.204 169 L C 2.852 179.642 176.870 -0.134 0.000 1.076 169 L CA 1.318 56.119 54.840 -0.064 0.000 0.753 169 L CB -1.004 41.051 42.059 -0.007 0.000 0.910 169 L HN 0.432 nan 8.230 nan 0.000 0.439 170 A N 0.276 123.030 122.820 -0.109 0.000 1.948 170 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 170 A C 2.297 179.735 177.584 -0.243 0.000 1.177 170 A CA 2.164 54.059 52.037 -0.237 0.000 0.636 170 A CB -0.595 18.354 19.000 -0.085 0.000 0.815 170 A HN 0.476 nan 8.150 nan 0.000 0.449 171 K N -0.316 119.996 120.400 -0.146 0.000 2.211 171 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 171 K C 1.924 178.432 176.600 -0.153 0.000 1.047 171 K CA 1.300 57.512 56.287 -0.125 0.000 0.935 171 K CB -0.133 32.318 32.500 -0.082 0.000 0.728 171 K HN 0.483 nan 8.250 nan 0.000 0.452 172 R N -0.044 120.344 120.500 -0.186 0.000 2.236 172 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 172 R C -0.028 176.133 176.300 -0.232 0.000 1.036 172 R CA 0.281 56.270 56.100 -0.186 0.000 1.001 172 R CB 0.023 30.218 30.300 -0.175 0.000 0.896 172 R HN 0.084 nan 8.270 nan 0.000 0.464 173 I N 2.345 122.720 120.570 -0.326 0.000 2.304 173 I HA 0.002 4.172 4.170 -0.000 0.000 0.291 173 I C 1.484 177.456 176.117 -0.242 0.000 1.018 173 I CA 0.003 61.094 61.300 -0.348 0.000 1.260 173 I CB 1.604 39.194 38.000 -0.682 0.000 1.390 173 I HN 0.003 nan 8.210 nan 0.000 0.475 174 K N 2.929 123.208 120.400 -0.202 0.000 2.262 174 K HA 0.207 4.527 4.320 -0.000 0.000 0.200 174 K C -0.201 176.380 176.600 -0.031 0.000 1.049 174 K CA 0.635 56.843 56.287 -0.133 0.000 0.979 174 K CB 0.162 32.557 32.500 -0.175 0.000 0.773 174 K HN 0.517 nan 8.250 nan 0.000 0.474 175 T N 1.190 115.770 114.554 0.044 0.000 2.993 175 T HA 0.311 4.661 4.350 -0.000 0.000 0.312 175 T C -1.988 172.824 174.700 0.186 0.000 1.115 175 T CA -0.694 61.453 62.100 0.079 0.000 1.027 175 T CB 1.480 70.415 68.868 0.112 0.000 1.116 175 T HN 0.110 nan 8.240 nan 0.000 0.464 176 F N 4.074 123.987 119.950 -0.062 0.000 2.332 176 F HA 0.582 5.109 4.527 -0.000 0.000 0.368 176 F C -1.614 174.223 175.800 0.061 0.000 1.110 176 F CA -2.367 55.738 58.000 0.176 0.000 1.087 176 F CB 0.081 39.219 39.000 0.230 0.000 1.235 176 F HN 0.509 nan 8.300 nan 0.000 0.470 177 Y N 4.645 125.365 120.300 0.701 0.000 2.367 177 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 177 Y C 0.276 176.450 175.900 0.458 0.000 0.979 177 Y CA -0.882 57.506 58.100 0.480 0.000 1.161 177 Y CB 1.086 39.676 38.460 0.216 0.000 1.155 177 Y HN 0.691 nan 8.280 nan 0.000 0.503 178 A N 5.632 128.717 122.820 0.442 0.000 2.273 178 A HA 0.734 5.054 4.320 -0.000 0.000 0.315 178 A C -0.989 176.772 177.584 0.294 0.000 1.256 178 A CA -0.726 51.478 52.037 0.279 0.000 0.851 178 A CB 0.271 19.246 19.000 -0.041 0.000 1.172 178 A HN 0.795 nan 8.150 nan 0.000 0.508 179 L N 2.217 123.530 121.223 0.151 0.000 2.287 179 L HA 0.587 4.927 4.340 -0.000 0.000 0.287 179 L C 0.876 177.572 176.870 -0.291 0.000 1.022 179 L CA -0.319 54.465 54.840 -0.092 0.000 0.814 179 L CB 1.412 43.452 42.059 -0.032 0.000 1.217 179 L HN 1.170 nan 8.230 nan 0.000 0.420 180 A N 3.770 126.245 122.820 -0.575 0.000 2.475 180 A HA -0.103 4.217 4.320 -0.000 0.000 0.295 180 A C -2.130 175.390 177.584 -0.106 0.000 1.457 180 A CA -0.548 51.273 52.037 -0.360 0.000 0.734 180 A CB -1.802 16.941 19.000 -0.429 0.000 1.118 180 A HN 0.543 nan 8.150 nan 0.000 0.400 181 P HA 0.336 nan 4.420 nan 0.000 0.268 181 P C -0.237 177.092 177.300 0.049 0.000 1.208 181 P CA 0.244 63.374 63.100 0.050 0.000 0.777 181 P CB 1.113 32.909 31.700 0.161 0.000 0.875 182 V N 1.372 121.342 119.914 0.093 0.000 2.614 182 V HA 0.330 4.450 4.120 -0.000 0.000 0.281 182 V C 0.761 176.865 176.094 0.017 0.000 1.031 182 V CA -0.107 62.200 62.300 0.012 0.000 0.899 182 V CB 0.859 32.612 31.823 -0.115 0.000 1.037 182 V HN 0.727 nan 8.190 nan 0.000 0.456 183 A N 3.534 126.251 122.820 -0.173 0.000 1.984 183 A HA 0.498 4.818 4.320 -0.000 0.000 0.203 183 A C 1.077 178.351 177.584 -0.518 0.000 1.292 183 A CA 1.146 52.720 52.037 -0.771 0.000 0.782 183 A CB 0.375 18.834 19.000 -0.900 0.000 0.924 183 A HN 0.801 nan 8.150 nan 0.000 0.475 184 T N -4.320 110.128 114.554 -0.176 0.000 2.926 184 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 184 T C -0.588 174.119 174.700 0.012 0.000 1.054 184 T CA -0.327 61.767 62.100 -0.009 0.000 1.015 184 T CB 1.813 70.668 68.868 -0.022 0.000 1.167 184 T HN 0.537 nan 8.240 nan 0.000 0.526 185 V N 1.382 121.309 119.914 0.022 0.000 3.028 185 V HA 0.317 4.437 4.120 -0.000 0.000 0.418 185 V C 0.790 176.830 176.094 -0.089 0.000 1.433 185 V CA -0.378 61.908 62.300 -0.024 0.000 1.543 185 V CB -0.096 31.749 31.823 0.037 0.000 1.329 185 V HN 1.038 nan 8.190 nan 0.000 0.646 186 K N -0.876 119.400 120.400 -0.207 0.000 2.404 186 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 186 K C 0.162 176.435 176.600 -0.545 0.000 1.023 186 K CA 0.704 56.747 56.287 -0.407 0.000 1.094 186 K CB 0.150 32.294 32.500 -0.593 0.000 0.841 186 K HN 0.435 nan 8.250 nan 0.000 0.523 187 Y N 1.489 121.774 120.300 -0.025 0.000 2.696 187 Y HA 0.180 4.730 4.550 -0.000 0.000 0.255 187 Y C -0.188 175.691 175.900 -0.035 0.000 1.103 187 Y CA -1.063 57.022 58.100 -0.025 0.000 1.126 187 Y CB 0.253 38.700 38.460 -0.022 0.000 1.197 187 Y HN 0.085 nan 8.280 nan 0.000 0.574 188 T N -2.810 111.772 114.554 0.047 0.000 2.899 188 T HA 0.294 4.644 4.350 -0.000 0.000 0.295 188 T C 0.655 175.358 174.700 0.006 0.000 1.033 188 T CA -0.618 61.480 62.100 -0.002 0.000 1.084 188 T CB 1.500 70.319 68.868 -0.082 0.000 0.979 188 T HN 0.084 nan 8.240 nan 0.000 0.532 189 K N 0.964 121.361 120.400 -0.004 0.000 2.440 189 K HA 0.316 4.636 4.320 -0.000 0.000 0.206 189 K C 0.521 177.114 176.600 -0.012 0.000 1.025 189 K CA -0.177 56.116 56.287 0.011 0.000 1.135 189 K CB 0.502 33.019 32.500 0.029 0.000 0.856 189 K HN 0.637 nan 8.250 nan 0.000 0.502 190 S N 0.067 115.735 115.700 -0.053 0.000 2.586 190 S HA 0.217 4.687 4.470 -0.000 0.000 0.274 190 S C 1.117 175.692 174.600 -0.042 0.000 1.281 190 S CA -0.599 57.550 58.200 -0.084 0.000 1.035 190 S CB 0.540 63.642 63.200 -0.165 0.000 0.962 190 S HN 0.296 nan 8.310 nan 0.000 0.512 191 L N 4.539 125.751 121.223 -0.018 0.000 2.447 191 L HA -0.067 4.273 4.340 -0.000 0.000 0.225 191 L C 2.107 179.091 176.870 0.191 0.000 1.148 191 L CA 0.672 55.561 54.840 0.081 0.000 0.808 191 L CB -0.438 41.725 42.059 0.174 0.000 0.928 191 L HN 0.759 nan 8.230 nan 0.000 0.448 192 I N 0.176 120.791 120.570 0.075 0.000 2.700 192 I HA -0.288 3.882 4.170 -0.000 0.000 0.261 192 I C 1.871 178.046 176.117 0.096 0.000 1.219 192 I CA 0.893 62.257 61.300 0.107 0.000 1.463 192 I CB -0.088 37.876 38.000 -0.060 0.000 1.092 192 I HN 0.440 nan 8.210 nan 0.000 0.452 193 N N 1.215 119.929 118.700 0.023 0.000 2.244 193 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 193 N C 1.555 177.012 175.510 -0.088 0.000 1.016 193 N CA 0.820 53.836 53.050 -0.056 0.000 0.866 193 N CB -0.210 38.227 38.487 -0.084 0.000 0.980 193 N HN 0.286 nan 8.380 nan 0.000 0.430 194 K N 1.280 121.694 120.400 0.023 0.000 2.281 194 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 194 K C 1.957 178.820 176.600 0.437 0.000 1.046 194 K CA 0.416 56.815 56.287 0.185 0.000 0.938 194 K CB -0.489 31.945 32.500 -0.109 0.000 0.737 194 K HN 0.324 nan 8.250 nan 0.000 0.458 195 L N 0.791 122.205 121.223 0.318 0.000 2.291 195 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 195 L C 2.550 179.546 176.870 0.209 0.000 1.120 195 L CA 0.617 55.641 54.840 0.307 0.000 0.799 195 L CB -0.396 41.867 42.059 0.339 0.000 0.925 195 L HN 0.198 nan 8.230 nan 0.000 0.446 196 R N 0.335 120.833 120.500 -0.004 0.000 2.193 196 R HA -0.181 4.159 4.340 -0.000 0.000 0.229 196 R C 1.522 177.797 176.300 -0.041 0.000 1.110 196 R CA 1.447 57.479 56.100 -0.113 0.000 0.988 196 R CB -0.366 29.775 30.300 -0.265 0.000 0.871 196 R HN 0.177 nan 8.270 nan 0.000 0.458 197 F N 0.905 120.986 119.950 0.217 0.000 2.802 197 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 197 F C 0.242 176.199 175.800 0.261 0.000 1.168 197 F CA -0.014 58.126 58.000 0.232 0.000 1.433 197 F CB 0.389 39.562 39.000 0.287 0.000 1.115 197 F HN -0.205 nan 8.300 nan 0.000 0.582 198 V N 2.580 122.744 119.914 0.416 0.000 2.487 198 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 198 V C -2.158 174.180 176.094 0.407 0.000 1.028 198 V CA -1.839 60.718 62.300 0.427 0.000 0.860 198 V CB 2.010 34.133 31.823 0.500 0.000 0.991 198 V HN -0.166 nan 8.190 nan 0.000 0.427 199 P HA 0.248 nan 4.420 nan 0.000 0.284 199 P C 0.364 177.880 177.300 0.360 0.000 1.258 199 P CA -0.466 62.819 63.100 0.308 0.000 0.824 199 P CB 1.699 33.522 31.700 0.205 0.000 1.038 200 Q N 2.216 122.216 119.800 0.333 0.000 2.118 200 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 200 Q C 1.615 177.666 176.000 0.086 0.000 0.998 200 Q CA 3.201 59.030 55.803 0.043 0.000 0.872 200 Q CB -0.788 27.917 28.738 -0.055 0.000 0.925 200 Q HN 0.440 nan 8.270 nan 0.000 0.414 201 S N 0.934 116.700 115.700 0.109 0.000 2.368 201 S HA -0.230 4.240 4.470 -0.000 0.000 0.226 201 S C 1.874 176.562 174.600 0.148 0.000 1.044 201 S CA 1.654 59.912 58.200 0.098 0.000 1.062 201 S CB -0.608 62.637 63.200 0.076 0.000 0.931 201 S HN 0.469 nan 8.310 nan 0.000 0.440 202 L N -0.545 120.792 121.223 0.190 0.000 2.109 202 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 202 L C 2.284 179.298 176.870 0.240 0.000 1.086 202 L CA 1.065 56.037 54.840 0.220 0.000 0.760 202 L CB -0.278 41.911 42.059 0.216 0.000 0.910 202 L HN 0.232 nan 8.230 nan 0.000 0.437 203 F N 1.012 121.049 119.950 0.144 0.000 2.091 203 F HA -0.334 4.193 4.527 -0.000 0.000 0.299 203 F C 2.672 178.567 175.800 0.158 0.000 1.103 203 F CA 2.121 60.249 58.000 0.213 0.000 1.228 203 F CB -0.075 39.003 39.000 0.129 0.000 0.984 203 F HN -0.060 nan 8.300 nan 0.000 0.477 204 K N -0.940 119.599 120.400 0.232 0.000 2.148 204 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 204 K C 2.159 178.788 176.600 0.049 0.000 1.050 204 K CA 1.320 57.682 56.287 0.125 0.000 0.942 204 K CB -0.475 32.078 32.500 0.087 0.000 0.724 204 K HN 0.306 nan 8.250 nan 0.000 0.446 205 F N 1.233 121.148 119.950 -0.058 0.000 2.325 205 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 205 F C 1.492 177.147 175.800 -0.242 0.000 1.090 205 F CA 0.981 58.916 58.000 -0.108 0.000 1.392 205 F CB 0.124 39.079 39.000 -0.075 0.000 1.053 205 F HN -0.045 nan 8.300 nan 0.000 0.521 206 I N -1.383 118.898 120.570 -0.483 0.000 2.339 206 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 206 I C 1.349 176.701 176.117 -1.276 0.000 1.096 206 I CA 1.132 61.854 61.300 -0.963 0.000 1.408 206 I CB -0.354 36.916 38.000 -1.216 0.000 1.092 206 I HN -0.021 nan 8.210 nan 0.000 0.423 207 F N 0.501 120.118 119.950 -0.555 0.000 2.724 207 F HA 0.451 4.978 4.527 0.000 0.000 0.306 207 F C 1.479 177.166 175.800 -0.187 0.000 1.100 207 F CA 0.188 57.918 58.000 -0.451 0.000 1.255 207 F CB -0.450 38.341 39.000 -0.350 0.000 1.072 207 F HN 0.114 nan 8.300 nan 0.000 0.589 208 G N 1.279 110.075 108.800 -0.008 0.000 2.601 208 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 208 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 208 G C -0.574 174.376 174.900 0.084 0.000 1.294 208 G CA 0.111 45.227 45.100 0.026 0.000 0.912 208 G HN 0.362 nan 8.290 nan 0.000 0.574 209 D N 0.184 120.620 120.400 0.059 0.000 2.541 209 D HA 0.653 5.293 4.640 -0.000 0.000 0.276 209 D C 0.993 177.286 176.300 -0.011 0.000 1.190 209 D CA 0.005 54.042 54.000 0.062 0.000 1.095 209 D CB 0.251 41.104 40.800 0.089 0.000 1.173 209 D HN 0.969 nan 8.370 nan 0.000 0.604 210 K N -1.396 118.984 120.400 -0.034 0.000 1.860 210 K HA -0.228 4.092 4.320 -0.000 0.000 0.320 210 K C -0.257 175.854 176.600 -0.816 0.000 1.716 210 K CA 0.671 56.639 56.287 -0.532 0.000 0.609 210 K CB -1.471 30.738 32.500 -0.485 0.000 0.915 210 K HN 0.390 nan 8.250 nan 0.000 0.766 211 I N 1.208 121.106 120.570 -1.121 0.000 2.634 211 I HA 0.047 4.217 4.170 -0.000 0.000 0.284 211 I C 0.462 176.214 176.117 -0.609 0.000 1.124 211 I CA -0.125 60.605 61.300 -0.951 0.000 1.417 211 I CB 0.073 37.494 38.000 -0.966 0.000 1.396 211 I HN 0.246 nan 8.210 nan 0.000 0.571 212 F N 7.146 126.750 119.950 -0.576 0.000 2.411 212 F HA 0.392 4.919 4.527 -0.000 0.000 0.355 212 F C -0.963 174.571 175.800 -0.444 0.000 1.117 212 F CA -0.196 57.593 58.000 -0.351 0.000 1.139 212 F CB 0.257 39.154 39.000 -0.172 0.000 1.120 212 F HN 0.177 nan 8.300 nan 0.000 0.493 213 Y N 6.680 126.652 120.300 -0.546 0.000 2.462 213 Y HA 0.370 4.920 4.550 -0.000 0.000 0.346 213 Y C -1.803 173.843 175.900 -0.423 0.000 0.976 213 Y CA -2.437 55.432 58.100 -0.384 0.000 1.044 213 Y CB 1.341 39.585 38.460 -0.361 0.000 1.230 213 Y HN 0.413 nan 8.280 nan 0.000 0.455 214 P HA -0.123 nan 4.420 nan 0.000 0.218 214 P C -0.093 177.534 177.300 0.545 0.000 1.149 214 P CA 1.654 64.992 63.100 0.396 0.000 0.817 214 P CB 0.219 32.173 31.700 0.423 0.000 0.785 215 H N -2.055 117.126 119.070 0.185 0.000 1.452 215 H HA -0.190 4.365 4.556 -0.000 0.000 0.090 215 H C 0.374 175.791 175.328 0.149 0.000 2.395 215 H CA 1.620 57.717 56.048 0.081 0.000 1.901 215 H CB -1.655 28.076 29.762 -0.052 0.000 2.257 215 H HN 0.182 nan 8.280 nan 0.000 0.961 216 N N 0.368 119.214 118.700 0.244 0.000 2.205 216 N HA 0.071 4.811 4.740 -0.000 0.000 0.201 216 N C 1.326 176.931 175.510 0.159 0.000 1.128 216 N CA 0.198 53.352 53.050 0.172 0.000 0.867 216 N CB 0.177 38.700 38.487 0.060 0.000 0.996 216 N HN 0.240 nan 8.380 nan 0.000 0.503 217 F N 0.999 120.981 119.950 0.053 0.000 2.141 217 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 217 F C 0.859 176.593 175.800 -0.109 0.000 1.079 217 F CA 1.714 59.652 58.000 -0.104 0.000 1.264 217 F CB -0.102 38.788 39.000 -0.184 0.000 1.011 217 F HN 0.028 nan 8.300 nan 0.000 0.487 218 F N -0.326 119.816 119.950 0.319 0.000 2.754 218 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 218 F C 2.007 177.915 175.800 0.180 0.000 1.122 218 F CA 0.216 58.459 58.000 0.405 0.000 1.400 218 F CB -0.586 38.749 39.000 0.560 0.000 1.117 218 F HN -0.125 nan 8.300 nan 0.000 0.587 219 D N 0.777 121.275 120.400 0.164 0.000 2.182 219 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 219 D C 1.962 178.205 176.300 -0.095 0.000 0.986 219 D CA 1.384 55.417 54.000 0.056 0.000 0.847 219 D CB -0.521 40.288 40.800 0.014 0.000 0.942 219 D HN 0.510 nan 8.370 nan 0.000 0.467 220 Q N -0.203 119.385 119.800 -0.355 0.000 2.541 220 Q HA -0.057 4.283 4.340 -0.000 0.000 0.215 220 Q C -0.125 175.543 176.000 -0.553 0.000 0.977 220 Q CA 0.419 55.910 55.803 -0.520 0.000 0.934 220 Q CB -0.275 28.008 28.738 -0.759 0.000 0.988 220 Q HN 0.132 nan 8.270 nan 0.000 0.521 221 F N 0.384 120.361 119.950 0.046 0.000 2.421 221 F HA 0.161 4.688 4.527 0.000 0.000 0.337 221 F C 1.147 177.010 175.800 0.106 0.000 1.105 221 F CA -1.462 56.595 58.000 0.095 0.000 1.049 221 F CB 0.882 39.989 39.000 0.178 0.000 1.139 221 F HN -0.157 nan 8.300 nan 0.000 0.479 222 L N 2.613 124.013 121.223 0.295 0.000 1.991 222 L HA -0.324 4.016 4.340 -0.000 0.000 0.221 222 L C 2.408 179.386 176.870 0.179 0.000 1.079 222 L CA 2.465 57.416 54.840 0.185 0.000 0.778 222 L CB -1.493 40.666 42.059 0.167 0.000 0.893 222 L HN 0.839 nan 8.230 nan 0.000 0.437 223 A N -1.739 121.228 122.820 0.244 0.000 1.997 223 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 223 A C 2.233 179.943 177.584 0.211 0.000 1.172 223 A CA 2.410 54.607 52.037 0.267 0.000 0.645 223 A CB -0.796 18.419 19.000 0.359 0.000 0.813 223 A HN 0.548 nan 8.150 nan 0.000 0.454 224 T N -1.121 113.569 114.554 0.227 0.000 2.942 224 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 224 T C 1.815 176.490 174.700 -0.042 0.000 1.062 224 T CA 1.254 63.399 62.100 0.074 0.000 1.139 224 T CB -0.061 68.948 68.868 0.235 0.000 0.883 224 T HN 0.763 nan 8.240 nan 0.000 0.468 225 E N 0.827 121.038 120.200 0.019 0.000 2.107 225 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 225 E C 2.071 178.646 176.600 -0.040 0.000 0.982 225 E CA 0.711 57.104 56.400 -0.013 0.000 0.809 225 E CB -0.014 29.693 29.700 0.011 0.000 0.756 225 E HN 0.241 nan 8.360 nan 0.000 0.459 226 V N 0.977 120.877 119.914 -0.023 0.000 2.343 226 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 226 V C 2.617 178.655 176.094 -0.094 0.000 1.051 226 V CA 1.570 63.853 62.300 -0.027 0.000 1.036 226 V CB -0.652 31.185 31.823 0.024 0.000 0.654 226 V HN 0.596 nan 8.190 nan 0.000 0.451 227 c N -0.368 118.103 118.600 -0.215 0.000 2.442 227 c HA -0.167 4.403 4.570 -0.000 0.000 0.279 227 c C 3.291 177.224 174.090 -0.262 0.000 1.237 227 c CA 1.672 57.768 56.329 -0.388 0.000 1.722 227 c CB -0.826 41.039 42.510 -1.075 0.000 2.056 227 c HN 0.591 nan 8.230 nan 0.000 0.469 228 S N 0.022 115.587 115.700 -0.225 0.000 2.380 228 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 228 S C 2.160 176.702 174.600 -0.096 0.000 1.043 228 S CA 1.547 59.664 58.200 -0.138 0.000 1.038 228 S CB -0.464 62.679 63.200 -0.095 0.000 0.872 228 S HN 0.672 nan 8.310 nan 0.000 0.456 229 R N 0.509 120.960 120.500 -0.082 0.000 2.081 229 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 229 R C 2.188 178.455 176.300 -0.054 0.000 1.131 229 R CA 1.740 57.807 56.100 -0.055 0.000 0.960 229 R CB -0.500 29.776 30.300 -0.039 0.000 0.856 229 R HN 0.655 nan 8.270 nan 0.000 0.436 230 E N -0.403 119.757 120.200 -0.066 0.000 2.057 230 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 230 E C 0.808 177.370 176.600 -0.063 0.000 0.959 230 E CA 0.447 56.814 56.400 -0.055 0.000 0.828 230 E CB 0.129 29.802 29.700 -0.046 0.000 0.800 230 E HN 0.076 nan 8.360 nan 0.000 0.460 231 M N 0.757 120.305 119.600 -0.087 0.000 2.531 231 M HA 0.297 4.777 4.480 -0.000 0.000 0.262 231 M C -0.223 176.022 176.300 -0.093 0.000 1.168 231 M CA -0.743 54.505 55.300 -0.087 0.000 0.926 231 M CB 0.860 33.404 32.600 -0.094 0.000 1.445 231 M HN -0.058 nan 8.290 nan 0.000 0.531 232 L N 1.267 122.437 121.223 -0.088 0.000 2.483 232 L HA -0.024 4.316 4.340 -0.000 0.000 0.276 232 L C 0.979 177.800 176.870 -0.081 0.000 1.213 232 L CA -0.217 54.576 54.840 -0.077 0.000 0.843 232 L CB -0.084 41.929 42.059 -0.076 0.000 1.107 232 L HN 0.661 nan 8.230 nan 0.000 0.487 233 N N 1.167 119.831 118.700 -0.061 0.000 2.166 233 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 233 N C 1.694 177.188 175.510 -0.026 0.000 1.019 233 N CA 0.820 53.842 53.050 -0.048 0.000 0.856 233 N CB -0.096 38.371 38.487 -0.033 0.000 0.993 233 N HN 0.550 nan 8.380 nan 0.000 0.426 234 L N -0.146 121.060 121.223 -0.028 0.000 2.043 234 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 234 L C 2.014 178.885 176.870 0.003 0.000 1.075 234 L CA 1.136 55.970 54.840 -0.009 0.000 0.752 234 L CB -0.242 41.801 42.059 -0.026 0.000 0.891 234 L HN 0.249 nan 8.230 nan 0.000 0.432 235 L N -0.761 120.424 121.223 -0.063 0.000 2.056 235 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 235 L C 2.551 179.484 176.870 0.105 0.000 1.078 235 L CA 1.623 56.387 54.840 -0.127 0.000 0.749 235 L CB -0.322 41.578 42.059 -0.266 0.000 0.901 235 L HN 0.312 nan 8.230 nan 0.000 0.433 236 c N -0.789 117.833 118.600 0.037 0.000 2.432 236 c HA -0.010 4.560 4.570 -0.000 0.000 0.282 236 c C 2.237 176.475 174.090 0.246 0.000 1.388 236 c CA 0.759 57.112 56.329 0.042 0.000 1.777 236 c CB -1.603 40.765 42.510 -0.237 0.000 1.882 236 c HN 0.696 nan 8.230 nan 0.000 0.520 237 S N 0.076 115.888 115.700 0.187 0.000 2.574 237 S HA 0.106 4.576 4.470 -0.000 0.000 0.242 237 S C -0.127 174.608 174.600 0.225 0.000 0.982 237 S CA -0.214 58.106 58.200 0.200 0.000 0.977 237 S CB -0.487 62.787 63.200 0.123 0.000 0.814 237 S HN 0.625 nan 8.310 nan 0.000 0.464 238 N N 1.504 120.385 118.700 0.301 0.000 2.446 238 N HA 0.469 5.209 4.740 -0.000 0.000 0.265 238 N C 0.978 176.677 175.510 0.315 0.000 0.975 238 N CA 0.057 53.308 53.050 0.335 0.000 0.928 238 N CB 1.682 40.450 38.487 0.469 0.000 1.160 238 N HN 0.148 nan 8.380 nan 0.000 0.495 239 A N 5.082 128.042 122.820 0.233 0.000 1.986 239 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 239 A C 2.088 179.703 177.584 0.052 0.000 1.171 239 A CA 0.965 53.098 52.037 0.160 0.000 0.640 239 A CB -0.510 18.658 19.000 0.280 0.000 0.811 239 A HN 0.775 nan 8.150 nan 0.000 0.451 240 L N -1.637 119.621 121.223 0.057 0.000 1.989 240 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 240 L C 2.492 179.192 176.870 -0.283 0.000 1.071 240 L CA 2.306 57.053 54.840 -0.155 0.000 0.749 240 L CB -0.493 41.397 42.059 -0.282 0.000 0.890 240 L HN 0.492 nan 8.230 nan 0.000 0.431 241 F N -0.172 119.803 119.950 0.041 0.000 2.163 241 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 241 F C 2.431 177.905 175.800 -0.543 0.000 1.094 241 F CA 0.962 58.914 58.000 -0.080 0.000 1.290 241 F CB -0.474 38.629 39.000 0.173 0.000 1.017 241 F HN -0.009 nan 8.300 nan 0.000 0.483 242 I N 0.029 120.458 120.570 -0.235 0.000 2.194 242 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 242 I C 2.023 177.851 176.117 -0.482 0.000 1.093 242 I CA 1.151 62.181 61.300 -0.451 0.000 1.355 242 I CB -0.300 37.553 38.000 -0.246 0.000 1.046 242 I HN 0.127 nan 8.210 nan 0.000 0.413 243 I N -0.719 119.636 120.570 -0.358 0.000 3.228 243 I HA -0.082 4.088 4.170 -0.000 0.000 0.279 243 I C 1.808 177.731 176.117 -0.323 0.000 1.221 243 I CA 0.941 62.053 61.300 -0.313 0.000 1.458 243 I CB -0.561 37.275 38.000 -0.273 0.000 1.105 243 I HN 0.309 nan 8.210 nan 0.000 0.445 244 C N 0.609 119.727 119.300 -0.304 0.000 3.183 244 C HA 0.629 5.089 4.460 -0.000 0.000 0.285 244 C C 1.126 176.029 174.990 -0.145 0.000 1.313 244 C CA 0.024 58.900 59.018 -0.237 0.000 1.711 244 C CB -0.344 27.325 27.740 -0.120 0.000 2.135 244 C HN 0.638 nan 8.230 nan 0.000 0.651 245 G N 0.091 108.744 108.800 -0.245 0.000 3.014 245 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.683 245 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.683 245 G C -0.414 174.485 174.900 -0.002 0.000 1.271 245 G CA -0.752 44.251 45.100 -0.162 0.000 0.843 245 G HN 0.051 nan 8.290 nan 0.000 0.612 246 F N 0.413 120.494 119.950 0.219 0.000 2.743 246 F HA 0.215 4.742 4.527 -0.000 0.000 0.297 246 F C 1.568 177.434 175.800 0.111 0.000 1.131 246 F CA 0.005 58.141 58.000 0.226 0.000 1.426 246 F CB 0.254 39.323 39.000 0.115 0.000 1.116 246 F HN 0.464 nan 8.300 nan 0.000 0.583 247 D N 0.728 121.250 120.400 0.203 0.000 2.451 247 D HA -0.007 4.633 4.640 -0.000 0.000 0.254 247 D C 0.738 176.859 176.300 -0.299 0.000 1.204 247 D CA 0.290 54.290 54.000 -0.001 0.000 0.896 247 D CB 0.562 41.361 40.800 -0.002 0.000 1.136 247 D HN 0.138 nan 8.370 nan 0.000 0.499 248 S N 2.948 118.423 115.700 -0.375 0.000 2.651 248 S HA 0.137 4.607 4.470 -0.000 0.000 0.246 248 S C 1.295 175.612 174.600 -0.471 0.000 1.039 248 S CA -0.668 57.041 58.200 -0.817 0.000 1.013 248 S CB 0.452 63.481 63.200 -0.285 0.000 0.861 248 S HN 0.223 nan 8.310 nan 0.000 0.485 249 K N 3.020 123.240 120.400 -0.300 0.000 2.009 249 K HA -0.007 4.313 4.320 -0.000 0.000 0.210 249 K C 0.784 177.348 176.600 -0.060 0.000 1.049 249 K CA 1.295 57.506 56.287 -0.127 0.000 0.929 249 K CB -0.573 31.877 32.500 -0.084 0.000 0.714 249 K HN 0.436 nan 8.250 nan 0.000 0.440 250 N N 0.282 118.949 118.700 -0.057 0.000 2.515 250 N HA -0.021 4.719 4.740 -0.000 0.000 0.191 250 N C 0.011 175.721 175.510 0.333 0.000 1.182 250 N CA 0.327 53.442 53.050 0.109 0.000 0.879 250 N CB -0.043 38.511 38.487 0.112 0.000 0.984 250 N HN -0.015 nan 8.380 nan 0.000 0.453 251 F N 0.960 120.953 119.950 0.073 0.000 2.378 251 F HA 0.237 4.764 4.527 -0.000 0.000 0.325 251 F C 1.195 177.055 175.800 0.099 0.000 1.097 251 F CA -1.978 56.090 58.000 0.114 0.000 1.079 251 F CB 0.098 39.200 39.000 0.170 0.000 1.240 251 F HN -0.122 nan 8.300 nan 0.000 0.519 252 N N 1.059 119.943 118.700 0.307 0.000 2.508 252 N HA -0.033 4.707 4.740 -0.000 0.000 0.253 252 N C 0.998 176.597 175.510 0.148 0.000 1.145 252 N CA 0.145 53.298 53.050 0.173 0.000 0.973 252 N CB 0.313 38.875 38.487 0.125 0.000 1.305 252 N HN 0.660 nan 8.380 nan 0.000 0.506 253 T N -0.523 114.111 114.554 0.134 0.000 3.052 253 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 253 T C 1.373 176.071 174.700 -0.003 0.000 1.147 253 T CA 0.956 63.106 62.100 0.082 0.000 1.089 253 T CB -0.153 68.748 68.868 0.055 0.000 0.875 253 T HN 0.259 nan 8.240 nan 0.000 0.541 254 S N 1.189 116.880 115.700 -0.014 0.000 2.496 254 S HA 0.131 4.601 4.470 -0.000 0.000 0.224 254 S C 1.710 176.238 174.600 -0.120 0.000 0.996 254 S CA 0.033 58.206 58.200 -0.046 0.000 0.927 254 S CB -0.045 63.148 63.200 -0.012 0.000 0.774 254 S HN 0.614 nan 8.310 nan 0.000 0.524 255 R N 0.515 120.889 120.500 -0.211 0.000 2.468 255 R HA 0.334 4.674 4.340 -0.000 0.000 0.280 255 R C 1.090 176.854 176.300 -0.893 0.000 0.963 255 R CA -0.118 55.703 56.100 -0.465 0.000 1.083 255 R CB -0.135 29.873 30.300 -0.487 0.000 1.200 255 R HN 0.325 nan 8.270 nan 0.000 0.541 256 L N 1.853 122.767 121.223 -0.514 0.000 2.042 256 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 256 L C 2.071 178.730 176.870 -0.352 0.000 1.076 256 L CA 1.657 56.255 54.840 -0.403 0.000 0.749 256 L CB -0.530 41.455 42.059 -0.122 0.000 0.893 256 L HN 0.283 nan 8.230 nan 0.000 0.432 257 D N -0.286 119.961 120.400 -0.254 0.000 2.265 257 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 257 D C 1.951 178.167 176.300 -0.139 0.000 0.977 257 D CA 1.074 54.983 54.000 -0.152 0.000 0.871 257 D CB -0.509 40.224 40.800 -0.111 0.000 0.925 257 D HN 0.238 nan 8.370 nan 0.000 0.485 258 V N 0.041 119.788 119.914 -0.278 0.000 2.488 258 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 258 V C 2.051 178.170 176.094 0.042 0.000 1.046 258 V CA 0.980 63.206 62.300 -0.123 0.000 1.053 258 V CB -0.750 30.926 31.823 -0.244 0.000 0.679 258 V HN 0.052 nan 8.190 nan 0.000 0.458 259 Y N 0.174 120.406 120.300 -0.114 0.000 2.220 259 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 259 Y C 2.275 178.258 175.900 0.138 0.000 1.129 259 Y CA 0.494 58.502 58.100 -0.155 0.000 1.161 259 Y CB -1.113 36.879 38.460 -0.780 0.000 0.997 259 Y HN 0.120 nan 8.280 nan 0.000 0.522 260 L N -0.136 121.227 121.223 0.232 0.000 2.046 260 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 260 L C 2.393 179.351 176.870 0.147 0.000 1.077 260 L CA 1.905 56.877 54.840 0.221 0.000 0.747 260 L CB -0.885 41.232 42.059 0.097 0.000 0.896 260 L HN 0.300 nan 8.230 nan 0.000 0.432 261 S N -2.250 113.496 115.700 0.076 0.000 2.555 261 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 261 S C 1.462 175.947 174.600 -0.191 0.000 0.978 261 S CA 0.475 58.637 58.200 -0.064 0.000 0.934 261 S CB -0.372 62.746 63.200 -0.137 0.000 0.766 261 S HN 0.505 nan 8.310 nan 0.000 0.533 262 H N 0.034 119.177 119.070 0.121 0.000 2.986 262 H HA 0.394 4.950 4.556 -0.000 0.000 0.267 262 H C -0.535 174.866 175.328 0.122 0.000 1.072 262 H CA -0.294 55.828 56.048 0.124 0.000 1.202 262 H CB 0.307 30.161 29.762 0.154 0.000 1.535 262 H HN 0.420 nan 8.280 nan 0.000 0.522 263 N N 1.861 120.714 118.700 0.255 0.000 2.238 263 N HA 0.240 4.980 4.740 -0.000 0.000 0.302 263 N C -2.741 172.877 175.510 0.181 0.000 1.072 263 N CA -1.411 51.755 53.050 0.195 0.000 0.792 263 N CB 2.605 41.238 38.487 0.242 0.000 1.425 263 N HN -0.033 nan 8.380 nan 0.000 0.478 264 P HA 0.179 nan 4.420 nan 0.000 0.279 264 P C -0.283 177.055 177.300 0.063 0.000 1.252 264 P CA -0.346 62.801 63.100 0.077 0.000 0.811 264 P CB 1.297 33.047 31.700 0.084 0.000 1.035 265 A N 1.530 124.360 122.820 0.017 0.000 2.067 265 A HA 0.376 4.696 4.320 -0.000 0.000 0.217 265 A C 1.075 178.702 177.584 0.072 0.000 1.156 265 A CA 1.189 53.234 52.037 0.014 0.000 0.683 265 A CB -0.919 18.059 19.000 -0.036 0.000 0.808 265 A HN 0.764 nan 8.150 nan 0.000 0.455 266 G N -1.178 107.702 108.800 0.134 0.000 2.040 266 G HA2 0.385 4.345 3.960 -0.000 0.000 0.195 266 G HA3 0.385 4.345 3.960 -0.000 0.000 0.195 266 G C -0.736 174.376 174.900 0.355 0.000 2.245 266 G CA -0.143 45.108 45.100 0.253 0.000 0.911 266 G HN 0.177 nan 8.290 nan 0.000 0.566 267 T N 1.504 116.214 114.554 0.261 0.000 2.856 267 T HA 0.757 5.107 4.350 -0.000 0.000 0.283 267 T C 0.663 175.504 174.700 0.236 0.000 1.008 267 T CA -0.042 62.230 62.100 0.287 0.000 0.997 267 T CB 1.660 70.632 68.868 0.174 0.000 0.992 267 T HN 1.252 nan 8.240 nan 0.000 0.454 268 S N 1.526 117.380 115.700 0.256 0.000 2.610 268 S HA 0.335 4.805 4.470 -0.000 0.000 0.273 268 S C 1.404 176.019 174.600 0.025 0.000 1.274 268 S CA -0.799 57.444 58.200 0.073 0.000 1.023 268 S CB 0.955 63.977 63.200 -0.296 0.000 0.962 268 S HN 0.362 nan 8.310 nan 0.000 0.523 269 V N 2.226 122.172 119.914 0.053 0.000 2.407 269 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 269 V C 2.909 179.078 176.094 0.126 0.000 1.055 269 V CA 2.260 64.686 62.300 0.210 0.000 1.049 269 V CB -1.243 30.722 31.823 0.237 0.000 0.662 269 V HN 1.042 nan 8.190 nan 0.000 0.455 270 Q N 0.416 120.178 119.800 -0.063 0.000 2.096 270 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 270 Q C 2.146 177.994 176.000 -0.253 0.000 0.982 270 Q CA 2.331 57.998 55.803 -0.225 0.000 0.850 270 Q CB -0.200 28.257 28.738 -0.468 0.000 0.901 270 Q HN 0.709 nan 8.270 nan 0.000 0.422 271 N N -0.711 117.876 118.700 -0.188 0.000 2.084 271 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 271 N C 1.598 177.152 175.510 0.074 0.000 1.030 271 N CA 1.620 54.634 53.050 -0.060 0.000 0.849 271 N CB -0.016 38.539 38.487 0.114 0.000 1.012 271 N HN 0.222 nan 8.380 nan 0.000 0.423 272 M N -0.596 119.021 119.600 0.029 0.000 2.213 272 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 272 M C 1.639 177.996 176.300 0.095 0.000 1.062 272 M CA 0.943 56.243 55.300 0.001 0.000 1.105 272 M CB -1.202 31.100 32.600 -0.496 0.000 1.385 272 M HN 0.208 nan 8.290 nan 0.000 0.417 273 F N 0.007 119.847 119.950 -0.184 0.000 2.186 273 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 273 F C 2.567 178.291 175.800 -0.127 0.000 1.090 273 F CA 1.661 59.376 58.000 -0.476 0.000 1.307 273 F CB -0.603 38.077 39.000 -0.534 0.000 1.019 273 F HN 0.334 nan 8.300 nan 0.000 0.489 274 H N -1.888 117.112 119.070 -0.117 0.000 2.352 274 H HA -0.255 4.301 4.556 -0.000 0.000 0.299 274 H C 2.130 177.345 175.328 -0.189 0.000 1.097 274 H CA 1.895 57.828 56.048 -0.192 0.000 1.311 274 H CB -0.423 29.034 29.762 -0.508 0.000 1.377 274 H HN 0.393 nan 8.280 nan 0.000 0.504 275 W N 0.439 121.775 121.300 0.060 0.000 2.388 275 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 275 W C 2.994 179.461 176.519 -0.088 0.000 1.212 275 W CA 1.433 58.783 57.345 0.010 0.000 1.271 275 W CB -0.227 29.219 29.460 -0.022 0.000 1.126 275 W HN 0.296 nan 8.180 nan 0.000 0.535 276 T N -1.662 112.905 114.554 0.021 0.000 2.951 276 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 276 T C 1.543 176.117 174.700 -0.210 0.000 1.073 276 T CA 1.376 63.417 62.100 -0.099 0.000 1.134 276 T CB -0.259 68.521 68.868 -0.145 0.000 0.884 276 T HN 0.238 nan 8.240 nan 0.000 0.479 277 Q N 0.597 120.199 119.800 -0.331 0.000 2.124 277 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 277 Q C 2.763 178.701 176.000 -0.104 0.000 0.977 277 Q CA 1.559 57.179 55.803 -0.305 0.000 0.850 277 Q CB -0.405 28.136 28.738 -0.330 0.000 0.901 277 Q HN 0.764 nan 8.270 nan 0.000 0.429 278 A N 0.181 123.011 122.820 0.017 0.000 1.897 278 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 278 A C 2.296 179.917 177.584 0.061 0.000 1.181 278 A CA 1.000 53.097 52.037 0.099 0.000 0.620 278 A CB -0.565 18.568 19.000 0.221 0.000 0.821 278 A HN 0.202 nan 8.150 nan 0.000 0.443 279 V N 0.036 119.979 119.914 0.049 0.000 2.407 279 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 279 V C 2.475 178.529 176.094 -0.067 0.000 1.055 279 V CA 2.393 64.684 62.300 -0.015 0.000 1.049 279 V CB -0.552 31.257 31.823 -0.023 0.000 0.662 279 V HN 0.554 nan 8.190 nan 0.000 0.455 280 K N 0.022 120.375 120.400 -0.079 0.000 2.167 280 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 280 K C 2.284 178.842 176.600 -0.069 0.000 1.052 280 K CA 1.461 57.695 56.287 -0.089 0.000 0.956 280 K CB -0.051 32.384 32.500 -0.108 0.000 0.735 280 K HN 0.624 nan 8.250 nan 0.000 0.451 281 S N -1.659 114.010 115.700 -0.051 0.000 2.497 281 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 281 S C 1.450 176.035 174.600 -0.026 0.000 1.037 281 S CA 0.534 58.718 58.200 -0.026 0.000 0.920 281 S CB 0.670 63.871 63.200 0.001 0.000 0.800 281 S HN 0.367 nan 8.310 nan 0.000 0.505 282 G N 1.473 110.250 108.800 -0.038 0.000 2.168 282 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 282 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 282 G C 0.147 175.044 174.900 -0.005 0.000 0.977 282 G CA 0.714 45.766 45.100 -0.081 0.000 0.659 282 G HN 0.548 nan 8.290 nan 0.000 0.533 283 K N -0.915 119.535 120.400 0.084 0.000 2.416 283 K HA 0.756 5.076 4.320 -0.000 0.000 0.244 283 K C -0.609 176.177 176.600 0.309 0.000 1.044 283 K CA -1.338 55.057 56.287 0.180 0.000 0.972 283 K CB 0.510 33.182 32.500 0.287 0.000 1.286 283 K HN 0.263 nan 8.250 nan 0.000 0.500 284 F N 2.579 122.644 119.950 0.193 0.000 2.443 284 F HA 0.242 4.769 4.527 -0.000 0.000 0.369 284 F C -0.704 175.282 175.800 0.311 0.000 1.090 284 F CA -0.682 57.458 58.000 0.234 0.000 1.129 284 F CB 0.263 39.381 39.000 0.197 0.000 1.367 284 F HN 0.436 nan 8.300 nan 0.000 0.465 285 Q N 3.899 123.810 119.800 0.184 0.000 2.553 285 Q HA 0.874 5.214 4.340 -0.000 0.000 0.293 285 Q C -1.159 174.719 176.000 -0.202 0.000 1.038 285 Q CA -1.325 54.300 55.803 -0.296 0.000 0.777 285 Q CB 1.797 30.167 28.738 -0.612 0.000 1.487 285 Q HN 0.569 nan 8.270 nan 0.000 0.426 286 A N 0.600 123.032 122.820 -0.646 0.000 2.433 286 A HA 0.143 4.463 4.320 -0.000 0.000 0.250 286 A C -0.782 176.543 177.584 -0.431 0.000 1.113 286 A CA -0.083 51.721 52.037 -0.389 0.000 0.794 286 A CB -0.193 18.366 19.000 -0.734 0.000 1.067 286 A HN 0.644 nan 8.150 nan 0.000 0.510 287 Y N 0.115 119.960 120.300 -0.758 0.000 2.411 287 Y HA 0.300 4.850 4.550 -0.000 0.000 0.333 287 Y C 0.188 175.770 175.900 -0.530 0.000 1.186 287 Y CA -0.188 57.248 58.100 -1.108 0.000 1.381 287 Y CB 0.572 38.243 38.460 -1.315 0.000 1.273 287 Y HN 0.662 nan 8.280 nan 0.000 0.546 288 D N 5.069 124.801 120.400 -1.114 0.000 2.380 288 D HA 0.043 4.683 4.640 -0.000 0.000 0.230 288 D C -0.368 175.331 176.300 -1.002 0.000 1.154 288 D CA -0.293 53.273 54.000 -0.723 0.000 0.859 288 D CB 0.103 40.592 40.800 -0.519 0.000 1.045 288 D HN 0.631 nan 8.370 nan 0.000 0.495 289 W N 3.008 124.018 121.300 -0.484 0.000 2.961 289 W HA 0.208 4.868 4.660 -0.000 0.000 0.240 289 W C 1.896 178.312 176.519 -0.172 0.000 1.305 289 W CA 0.507 57.668 57.345 -0.307 0.000 1.465 289 W CB 0.217 29.572 29.460 -0.176 0.000 1.135 289 W HN 0.740 nan 8.180 nan 0.000 0.688 290 G N -0.380 108.396 108.800 -0.038 0.000 2.278 290 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.210 290 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.210 290 G C 0.221 175.137 174.900 0.026 0.000 1.000 290 G CA -0.010 45.095 45.100 0.007 0.000 0.635 290 G HN 0.574 nan 8.290 nan 0.000 0.495 291 S N -1.519 114.209 115.700 0.046 0.000 2.597 291 S HA 0.657 5.127 4.470 -0.000 0.000 0.274 291 S C -2.301 172.323 174.600 0.040 0.000 1.132 291 S CA -0.096 58.124 58.200 0.034 0.000 0.835 291 S CB 1.686 64.907 63.200 0.035 0.000 1.092 291 S HN -0.050 nan 8.310 nan 0.000 0.457 292 P HA -0.118 nan 4.420 nan 0.000 0.215 292 P C 1.592 178.904 177.300 0.021 0.000 1.157 292 P CA 1.392 64.505 63.100 0.022 0.000 0.874 292 P CB -0.093 31.613 31.700 0.009 0.000 0.790 293 V N -0.216 119.706 119.914 0.012 0.000 2.295 293 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 293 V C 2.411 178.498 176.094 -0.012 0.000 1.049 293 V CA 1.924 64.221 62.300 -0.005 0.000 1.024 293 V CB -1.504 30.315 31.823 -0.007 0.000 0.648 293 V HN 0.210 nan 8.190 nan 0.000 0.447 294 Q N -0.015 119.800 119.800 0.025 0.000 2.123 294 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 294 Q C 2.129 178.159 176.000 0.051 0.000 0.966 294 Q CA 1.250 57.081 55.803 0.045 0.000 0.845 294 Q CB -0.317 28.506 28.738 0.140 0.000 0.907 294 Q HN 0.618 nan 8.270 nan 0.000 0.439 295 N N 0.975 119.729 118.700 0.090 0.000 2.244 295 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 295 N C 1.609 177.137 175.510 0.030 0.000 1.016 295 N CA 0.914 54.038 53.050 0.123 0.000 0.866 295 N CB -0.045 38.584 38.487 0.237 0.000 0.980 295 N HN 0.251 nan 8.380 nan 0.000 0.430 296 R N 0.449 120.947 120.500 -0.002 0.000 2.075 296 R HA 0.101 4.441 4.340 -0.000 0.000 0.232 296 R C 1.973 178.198 176.300 -0.125 0.000 1.126 296 R CA 0.942 57.023 56.100 -0.031 0.000 0.963 296 R CB -0.234 30.046 30.300 -0.033 0.000 0.858 296 R HN 0.195 nan 8.270 nan 0.000 0.435 297 M N -0.024 119.452 119.600 -0.206 0.000 2.706 297 M HA -0.135 4.345 4.480 -0.000 0.000 0.251 297 M C 0.999 176.915 176.300 -0.641 0.000 1.070 297 M CA 1.184 56.260 55.300 -0.374 0.000 1.073 297 M CB 0.021 32.371 32.600 -0.417 0.000 1.449 297 M HN 0.265 nan 8.290 nan 0.000 0.531 298 H N -3.006 115.766 119.070 -0.497 0.000 2.824 298 H HA 0.127 4.683 4.556 -0.000 0.000 0.238 298 H C 0.553 175.552 175.328 -0.547 0.000 0.931 298 H CA 0.748 56.365 56.048 -0.718 0.000 1.090 298 H CB 0.662 29.612 29.762 -1.354 0.000 1.433 298 H HN 0.298 nan 8.280 nan 0.000 0.437 299 Y N 0.912 121.232 120.300 0.034 0.000 2.500 299 Y HA 0.170 4.720 4.550 -0.000 0.000 0.246 299 Y C 0.185 176.071 175.900 -0.023 0.000 1.146 299 Y CA -0.743 57.359 58.100 0.004 0.000 1.230 299 Y CB 0.534 38.988 38.460 -0.010 0.000 1.214 299 Y HN -0.011 nan 8.280 nan 0.000 0.526 300 D N 0.566 121.009 120.400 0.072 0.000 2.983 300 D HA -0.217 4.423 4.640 -0.000 0.000 0.225 300 D C -0.036 176.291 176.300 0.045 0.000 1.174 300 D CA 1.064 55.082 54.000 0.029 0.000 0.831 300 D CB -1.184 39.626 40.800 0.017 0.000 1.104 300 D HN 0.481 nan 8.370 nan 0.000 0.421 301 Q N -1.577 118.272 119.800 0.082 0.000 2.683 301 Q HA 0.596 4.936 4.340 -0.000 0.000 0.302 301 Q C 0.417 176.455 176.000 0.063 0.000 1.042 301 Q CA -0.747 55.087 55.803 0.051 0.000 0.773 301 Q CB 1.222 29.978 28.738 0.030 0.000 1.508 301 Q HN -0.141 nan 8.270 nan 0.000 0.459 302 S N -0.290 115.430 115.700 0.033 0.000 2.523 302 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 302 S C -0.347 174.266 174.600 0.022 0.000 0.996 302 S CA 0.133 58.352 58.200 0.032 0.000 0.921 302 S CB 0.472 63.679 63.200 0.011 0.000 0.829 302 S HN 0.259 nan 8.310 nan 0.000 0.495 303 Q N 1.524 121.317 119.800 -0.012 0.000 2.340 303 Q HA 0.415 4.755 4.340 -0.000 0.000 0.268 303 Q C -2.984 172.897 176.000 -0.199 0.000 1.031 303 Q CA -2.600 53.149 55.803 -0.091 0.000 0.804 303 Q CB 1.470 30.145 28.738 -0.105 0.000 1.286 303 Q HN 0.013 nan 8.270 nan 0.000 0.448 304 P HA 0.016 nan 4.420 nan 0.000 0.264 304 P C -2.258 174.567 177.300 -0.791 0.000 1.193 304 P CA -0.480 62.221 63.100 -0.664 0.000 0.763 304 P CB 0.036 31.396 31.700 -0.566 0.000 0.810 305 P HA 0.029 nan 4.420 nan 0.000 0.272 305 P C -0.918 175.888 177.300 -0.823 0.000 1.230 305 P CA 0.221 62.926 63.100 -0.659 0.000 0.788 305 P CB 0.511 31.887 31.700 -0.539 0.000 0.949 306 Y N -0.229 119.791 120.300 -0.467 0.000 2.403 306 Y HA 0.312 4.862 4.550 -0.000 0.000 0.323 306 Y C 0.453 176.039 175.900 -0.524 0.000 1.226 306 Y CA 0.057 57.879 58.100 -0.464 0.000 1.235 306 Y CB 0.708 39.029 38.460 -0.231 0.000 1.248 306 Y HN 0.258 nan 8.280 nan 0.000 0.489 307 Y N 1.219 121.379 120.300 -0.234 0.000 2.353 307 Y HA 0.180 4.730 4.550 -0.000 0.000 0.340 307 Y C 0.285 176.127 175.900 -0.096 0.000 0.972 307 Y CA -1.356 56.509 58.100 -0.391 0.000 1.157 307 Y CB 0.546 38.267 38.460 -1.231 0.000 1.157 307 Y HN 0.482 nan 8.280 nan 0.000 0.495 308 N N 3.428 122.214 118.700 0.142 0.000 2.508 308 N HA -0.009 4.731 4.740 -0.000 0.000 0.253 308 N C 0.843 176.441 175.510 0.147 0.000 1.145 308 N CA 0.274 53.395 53.050 0.118 0.000 0.973 308 N CB 0.908 39.439 38.487 0.073 0.000 1.305 308 N HN 0.669 nan 8.380 nan 0.000 0.506 309 V N 3.186 123.198 119.914 0.162 0.000 2.720 309 V HA -0.169 3.951 4.120 -0.000 0.000 0.256 309 V C 2.065 178.158 176.094 -0.001 0.000 1.082 309 V CA 2.453 64.784 62.300 0.051 0.000 1.101 309 V CB -0.663 31.079 31.823 -0.135 0.000 0.693 309 V HN 0.851 nan 8.190 nan 0.000 0.479 310 T N -2.623 111.939 114.554 0.012 0.000 3.148 310 T HA 0.193 4.543 4.350 -0.000 0.000 0.253 310 T C 1.353 176.070 174.700 0.030 0.000 1.134 310 T CA 0.818 62.919 62.100 0.003 0.000 1.051 310 T CB 0.041 68.904 68.868 -0.008 0.000 0.959 310 T HN 0.500 nan 8.240 nan 0.000 0.525 311 A N 0.782 123.636 122.820 0.057 0.000 2.308 311 A HA 0.521 4.841 4.320 -0.000 0.000 0.217 311 A C 1.031 178.673 177.584 0.097 0.000 1.216 311 A CA -0.362 51.715 52.037 0.066 0.000 0.864 311 A CB -0.229 18.811 19.000 0.068 0.000 0.902 311 A HN 0.499 nan 8.150 nan 0.000 0.499 312 M N 1.787 121.460 119.600 0.121 0.000 2.151 312 M HA 0.253 4.733 4.480 -0.000 0.000 0.349 312 M C -0.448 175.941 176.300 0.148 0.000 1.284 312 M CA -0.255 55.160 55.300 0.192 0.000 1.173 312 M CB -0.212 32.560 32.600 0.286 0.000 1.469 312 M HN 0.202 nan 8.290 nan 0.000 0.439 313 N N 2.707 121.477 118.700 0.117 0.000 2.353 313 N HA 0.036 4.776 4.740 -0.000 0.000 0.185 313 N C 0.142 175.694 175.510 0.069 0.000 1.098 313 N CA 0.166 53.259 53.050 0.073 0.000 0.872 313 N CB 0.448 38.959 38.487 0.040 0.000 0.970 313 N HN 0.394 nan 8.380 nan 0.000 0.467 314 V N 3.557 123.530 119.914 0.100 0.000 2.694 314 V HA 0.004 4.124 4.120 -0.000 0.000 0.306 314 V C -1.976 174.175 176.094 0.095 0.000 1.054 314 V CA -0.756 61.581 62.300 0.060 0.000 1.161 314 V CB 0.211 32.044 31.823 0.016 0.000 0.916 314 V HN 0.016 nan 8.190 nan 0.000 0.490 315 P HA 0.189 nan 4.420 nan 0.000 0.263 315 P C -0.423 176.896 177.300 0.032 0.000 1.195 315 P CA 0.463 63.580 63.100 0.028 0.000 0.762 315 P CB 0.376 32.082 31.700 0.010 0.000 0.799 316 I N 2.252 122.825 120.570 0.005 0.000 2.569 316 I HA 0.709 4.879 4.170 -0.000 0.000 0.296 316 I C -1.049 175.040 176.117 -0.046 0.000 1.028 316 I CA -1.066 60.205 61.300 -0.049 0.000 1.082 316 I CB 1.862 39.780 38.000 -0.136 0.000 1.264 316 I HN 0.278 nan 8.210 nan 0.000 0.429 317 A N 6.955 129.763 122.820 -0.020 0.000 2.342 317 A HA 0.779 5.099 4.320 -0.000 0.000 0.323 317 A C -1.402 176.306 177.584 0.207 0.000 1.125 317 A CA -0.470 51.612 52.037 0.075 0.000 0.785 317 A CB 1.539 20.609 19.000 0.116 0.000 1.221 317 A HN 0.456 nan 8.150 nan 0.000 0.463 318 V N 2.015 121.974 119.914 0.075 0.000 2.604 318 V HA 0.530 4.650 4.120 -0.000 0.000 0.305 318 V C -0.903 175.326 176.094 0.224 0.000 1.043 318 V CA -0.526 61.920 62.300 0.244 0.000 0.888 318 V CB 1.657 33.565 31.823 0.140 0.000 0.995 318 V HN 0.890 nan 8.190 nan 0.000 0.429 319 W N 5.030 126.473 121.300 0.239 0.000 2.554 319 W HA 0.490 5.150 4.660 -0.000 0.000 0.324 319 W C -0.549 176.079 176.519 0.182 0.000 1.018 319 W CA -0.580 56.946 57.345 0.302 0.000 1.243 319 W CB 2.200 31.935 29.460 0.458 0.000 1.345 319 W HN 0.732 nan 8.180 nan 0.000 0.441 320 N N 1.164 120.155 118.700 0.484 0.000 2.312 320 N HA 0.614 5.354 4.740 -0.000 0.000 0.296 320 N C -0.499 175.380 175.510 0.615 0.000 1.193 320 N CA -0.517 52.761 53.050 0.381 0.000 0.773 320 N CB 2.028 40.659 38.487 0.239 0.000 1.435 320 N HN 0.319 nan 8.380 nan 0.000 0.484 321 G N -1.610 107.554 108.800 0.607 0.000 2.389 321 G HA2 0.487 4.447 3.960 -0.000 0.000 0.317 321 G HA3 0.487 4.447 3.960 -0.000 0.000 0.317 321 G C 0.754 175.818 174.900 0.273 0.000 1.137 321 G CA -0.561 44.850 45.100 0.519 0.000 0.870 321 G HN 0.633 nan 8.290 nan 0.000 0.496 322 G N 0.012 108.919 108.800 0.178 0.000 2.430 322 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 322 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 322 G C 1.161 176.120 174.900 0.097 0.000 1.146 322 G CA 0.287 45.435 45.100 0.080 0.000 0.793 322 G HN 0.543 nan 8.290 nan 0.000 0.537 323 K N 0.679 121.167 120.400 0.148 0.000 2.498 323 K HA 0.124 4.444 4.320 -0.000 0.000 0.207 323 K C -0.595 176.096 176.600 0.152 0.000 1.033 323 K CA -0.361 56.012 56.287 0.143 0.000 1.138 323 K CB 0.678 33.278 32.500 0.168 0.000 0.860 323 K HN 0.022 nan 8.250 nan 0.000 0.490 324 D N 1.627 122.133 120.400 0.178 0.000 2.352 324 D HA 0.051 4.691 4.640 -0.000 0.000 0.245 324 D C 0.904 177.252 176.300 0.080 0.000 1.224 324 D CA -0.048 54.061 54.000 0.182 0.000 0.879 324 D CB 0.799 41.755 40.800 0.260 0.000 1.057 324 D HN 0.092 nan 8.370 nan 0.000 0.491 325 L N 3.583 124.824 121.223 0.030 0.000 2.291 325 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 325 L C 2.164 178.969 176.870 -0.109 0.000 1.120 325 L CA 0.382 55.206 54.840 -0.026 0.000 0.799 325 L CB -0.018 42.022 42.059 -0.033 0.000 0.925 325 L HN 0.453 nan 8.230 nan 0.000 0.446 326 L N -0.384 120.705 121.223 -0.223 0.000 2.185 326 L HA 0.196 4.536 4.340 -0.000 0.000 0.198 326 L C 1.544 178.237 176.870 -0.295 0.000 1.079 326 L CA 0.413 55.019 54.840 -0.389 0.000 0.780 326 L CB 0.065 41.635 42.059 -0.815 0.000 0.955 326 L HN 0.134 nan 8.230 nan 0.000 0.462 327 A N 1.749 124.433 122.820 -0.225 0.000 3.126 327 A HA 0.105 4.425 4.320 -0.000 0.000 0.268 327 A C -0.333 177.260 177.584 0.015 0.000 1.605 327 A CA -0.615 51.381 52.037 -0.067 0.000 1.305 327 A CB -1.137 17.890 19.000 0.045 0.000 1.160 327 A HN 0.525 nan 8.150 nan 0.000 0.609 328 D N 0.933 121.331 120.400 -0.002 0.000 2.472 328 D HA 0.005 4.645 4.640 -0.000 0.000 0.237 328 D C -2.030 174.298 176.300 0.046 0.000 1.141 328 D CA -0.941 53.080 54.000 0.036 0.000 0.875 328 D CB 0.825 41.651 40.800 0.043 0.000 1.192 328 D HN 0.092 nan 8.370 nan 0.000 0.450 329 P HA -0.212 nan 4.420 nan 0.000 0.216 329 P C 1.600 178.902 177.300 0.003 0.000 1.150 329 P CA 1.552 64.671 63.100 0.032 0.000 0.843 329 P CB 0.087 31.803 31.700 0.026 0.000 0.787 330 Q N -0.601 119.197 119.800 -0.004 0.000 2.050 330 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 330 Q C 1.805 177.837 176.000 0.053 0.000 0.980 330 Q CA 1.565 57.342 55.803 -0.044 0.000 0.840 330 Q CB -0.403 28.229 28.738 -0.176 0.000 0.898 330 Q HN 0.243 nan 8.270 nan 0.000 0.424 331 D N -0.609 119.874 120.400 0.139 0.000 2.097 331 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 331 D C 1.976 178.288 176.300 0.021 0.000 0.989 331 D CA 1.315 55.391 54.000 0.126 0.000 0.827 331 D CB 0.016 40.861 40.800 0.075 0.000 0.966 331 D HN 0.133 nan 8.370 nan 0.000 0.456 332 V N 1.383 121.297 119.914 -0.001 0.000 2.332 332 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 332 V C 2.609 178.652 176.094 -0.085 0.000 1.055 332 V CA 2.016 64.291 62.300 -0.042 0.000 1.038 332 V CB -1.104 30.708 31.823 -0.019 0.000 0.651 332 V HN 0.223 nan 8.190 nan 0.000 0.450 333 G N 0.175 108.938 108.800 -0.063 0.000 2.476 333 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 333 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 333 G C 1.535 176.388 174.900 -0.077 0.000 1.164 333 G CA 1.189 46.240 45.100 -0.082 0.000 0.768 333 G HN 0.514 nan 8.290 nan 0.000 0.560 334 L N -0.270 120.930 121.223 -0.038 0.000 2.217 334 L HA 0.077 4.417 4.340 -0.000 0.000 0.211 334 L C 2.581 179.406 176.870 -0.075 0.000 1.107 334 L CA 0.090 54.910 54.840 -0.033 0.000 0.783 334 L CB -0.367 41.708 42.059 0.026 0.000 0.919 334 L HN 0.222 nan 8.230 nan 0.000 0.442 335 L N 0.100 121.261 121.223 -0.104 0.000 2.007 335 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 335 L C 2.359 179.125 176.870 -0.172 0.000 1.073 335 L CA 1.643 56.386 54.840 -0.162 0.000 0.744 335 L CB -0.537 41.408 42.059 -0.189 0.000 0.898 335 L HN 0.045 nan 8.230 nan 0.000 0.435 336 L N -0.160 120.956 121.223 -0.180 0.000 2.030 336 L HA -0.262 4.078 4.340 -0.000 0.000 0.222 336 L C 0.071 176.852 176.870 -0.148 0.000 1.082 336 L CA 2.060 56.782 54.840 -0.196 0.000 0.785 336 L CB -2.496 39.394 42.059 -0.282 0.000 0.895 336 L HN 0.286 nan 8.230 nan 0.000 0.439 337 P HA -0.171 nan 4.420 nan 0.000 0.218 337 P C 1.175 178.425 177.300 -0.083 0.000 1.148 337 P CA 1.375 64.418 63.100 -0.094 0.000 0.822 337 P CB -0.028 31.624 31.700 -0.080 0.000 0.784 338 K N -0.952 119.392 120.400 -0.094 0.000 2.432 338 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 338 K C 0.527 177.077 176.600 -0.084 0.000 1.038 338 K CA 0.254 56.491 56.287 -0.082 0.000 0.986 338 K CB -0.254 32.193 32.500 -0.088 0.000 0.782 338 K HN 0.239 nan 8.250 nan 0.000 0.485 339 L N 4.760 125.922 121.223 -0.101 0.000 2.433 339 L HA 0.122 4.462 4.340 -0.000 0.000 0.284 339 L C -2.049 174.793 176.870 -0.048 0.000 1.120 339 L CA -1.768 53.021 54.840 -0.085 0.000 0.879 339 L CB 0.034 42.029 42.059 -0.105 0.000 1.232 339 L HN -0.107 nan 8.230 nan 0.000 0.454 340 P HA 0.029 nan 4.420 nan 0.000 0.276 340 P C -0.059 177.239 177.300 -0.004 0.000 1.243 340 P CA -0.017 63.076 63.100 -0.013 0.000 0.768 340 P CB 1.002 32.701 31.700 -0.001 0.000 0.856 341 N N 0.984 119.680 118.700 -0.007 0.000 2.924 341 N HA -0.134 4.606 4.740 -0.000 0.000 0.246 341 N C -0.847 174.661 175.510 -0.003 0.000 1.120 341 N CA 0.121 53.171 53.050 0.000 0.000 0.691 341 N CB -1.299 37.196 38.487 0.013 0.000 1.036 341 N HN 0.380 nan 8.380 nan 0.000 0.557 342 L N 1.993 123.205 121.223 -0.018 0.000 2.342 342 L HA 0.357 4.697 4.340 -0.000 0.000 0.285 342 L C 1.631 178.498 176.870 -0.006 0.000 1.095 342 L CA -0.003 54.822 54.840 -0.025 0.000 0.843 342 L CB -0.153 41.875 42.059 -0.052 0.000 1.201 342 L HN 0.293 nan 8.230 nan 0.000 0.445 343 I N 2.713 123.291 120.570 0.014 0.000 3.684 343 I HA 0.267 4.437 4.170 -0.000 0.000 0.304 343 I C -0.574 175.612 176.117 0.115 0.000 1.278 343 I CA -0.079 61.247 61.300 0.044 0.000 1.272 343 I CB -0.196 37.828 38.000 0.040 0.000 1.029 343 I HN 0.594 nan 8.210 nan 0.000 0.458 344 Y N 1.113 121.351 120.300 -0.102 0.000 2.583 344 Y HA 0.443 4.993 4.550 -0.000 0.000 0.330 344 Y C -1.733 174.055 175.900 -0.187 0.000 1.185 344 Y CA -1.073 56.928 58.100 -0.165 0.000 1.107 344 Y CB 0.890 39.211 38.460 -0.232 0.000 1.344 344 Y HN 0.186 nan 8.280 nan 0.000 0.463 345 H N 5.299 123.804 119.070 -0.942 0.000 3.026 345 H HA 0.475 5.030 4.556 -0.000 0.000 0.352 345 H C -2.086 172.737 175.328 -0.841 0.000 1.090 345 H CA -0.805 54.831 56.048 -0.686 0.000 1.268 345 H CB 2.178 31.725 29.762 -0.358 0.000 1.816 345 H HN 0.801 nan 8.280 nan 0.000 0.518 346 K N 3.815 123.461 120.400 -1.258 0.000 2.513 346 K HA 0.178 4.498 4.320 -0.000 0.000 0.251 346 K C -1.525 174.739 176.600 -0.561 0.000 0.939 346 K CA -0.621 55.118 56.287 -0.914 0.000 0.793 346 K CB 2.228 34.392 32.500 -0.560 0.000 1.241 346 K HN 0.680 nan 8.250 nan 0.000 0.431 347 E N 6.508 126.469 120.200 -0.398 0.000 2.141 347 E HA 0.216 4.566 4.350 -0.000 0.000 0.259 347 E C -0.863 175.706 176.600 -0.052 0.000 0.883 347 E CA -0.608 55.747 56.400 -0.076 0.000 0.744 347 E CB 0.749 30.448 29.700 -0.000 0.000 1.150 347 E HN 0.567 nan 8.360 nan 0.000 0.420 348 I N 8.187 128.768 120.570 0.018 0.000 2.347 348 I HA 0.101 4.271 4.170 -0.000 0.000 0.294 348 I C -1.204 174.861 176.117 -0.086 0.000 1.090 348 I CA -1.572 59.648 61.300 -0.133 0.000 1.314 348 I CB 0.754 38.511 38.000 -0.406 0.000 1.423 348 I HN 0.446 nan 8.210 nan 0.000 0.503 349 P HA -0.223 nan 4.420 nan 0.000 0.216 349 P C 1.157 178.287 177.300 -0.284 0.000 1.157 349 P CA 1.896 64.802 63.100 -0.323 0.000 0.880 349 P CB 0.045 31.379 31.700 -0.610 0.000 0.791 350 F N -2.849 117.139 119.950 0.064 0.000 2.773 350 F HA 0.156 4.683 4.527 -0.000 0.000 0.304 350 F C 1.153 177.094 175.800 0.234 0.000 1.129 350 F CA -0.329 57.741 58.000 0.117 0.000 1.378 350 F CB -1.097 37.956 39.000 0.088 0.000 1.095 350 F HN -0.148 nan 8.300 nan 0.000 0.565 351 Y N 1.790 122.146 120.300 0.093 0.000 2.308 351 Y HA 0.247 4.797 4.550 -0.000 0.000 0.329 351 Y C 0.643 176.615 175.900 0.121 0.000 1.111 351 Y CA -1.858 56.253 58.100 0.018 0.000 1.179 351 Y CB 0.299 38.628 38.460 -0.218 0.000 1.201 351 Y HN 0.103 nan 8.280 nan 0.000 0.483 352 N N -0.023 118.783 118.700 0.177 0.000 2.725 352 N HA 0.128 4.868 4.740 -0.000 0.000 0.312 352 N C 0.828 176.534 175.510 0.328 0.000 1.295 352 N CA -0.343 52.843 53.050 0.227 0.000 0.914 352 N CB -0.042 38.536 38.487 0.152 0.000 1.177 352 N HN 0.582 nan 8.380 nan 0.000 0.601 353 H N -0.632 118.554 119.070 0.192 0.000 2.319 353 H HA 0.078 4.634 4.556 -0.000 0.000 0.297 353 H C 1.231 176.704 175.328 0.242 0.000 1.097 353 H CA 2.161 58.336 56.048 0.211 0.000 1.285 353 H CB -0.146 29.637 29.762 0.036 0.000 1.368 353 H HN 0.470 nan 8.280 nan 0.000 0.495 354 L N -0.136 121.186 121.223 0.165 0.000 2.591 354 L HA -0.015 4.325 4.340 -0.000 0.000 0.228 354 L C 1.526 178.348 176.870 -0.081 0.000 1.133 354 L CA 0.175 54.987 54.840 -0.047 0.000 0.880 354 L CB -0.039 42.071 42.059 0.085 0.000 1.033 354 L HN 0.223 nan 8.230 nan 0.000 0.450 355 D N 0.714 121.076 120.400 -0.063 0.000 2.178 355 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 355 D C 1.928 177.810 176.300 -0.696 0.000 0.980 355 D CA 1.385 55.126 54.000 -0.433 0.000 0.842 355 D CB -0.078 40.043 40.800 -1.131 0.000 0.948 355 D HN 0.240 nan 8.370 nan 0.000 0.472 356 F N 0.297 119.955 119.950 -0.486 0.000 2.373 356 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 356 F C 2.201 177.779 175.800 -0.370 0.000 1.080 356 F CA 0.697 58.491 58.000 -0.344 0.000 1.417 356 F CB -0.071 38.750 39.000 -0.299 0.000 1.070 356 F HN 0.028 nan 8.300 nan 0.000 0.546 357 I N -3.437 116.849 120.570 -0.472 0.000 4.244 357 I HA -0.021 4.149 4.170 -0.000 0.000 0.318 357 I C 0.974 176.827 176.117 -0.440 0.000 1.282 357 I CA 0.189 61.138 61.300 -0.585 0.000 1.276 357 I CB 0.274 37.521 38.000 -1.255 0.000 1.183 357 I HN 0.091 nan 8.210 nan 0.000 0.431 358 W N 1.853 122.835 121.300 -0.530 0.000 2.714 358 W HA 0.479 5.139 4.660 -0.000 0.000 0.353 358 W C 0.801 177.063 176.519 -0.429 0.000 0.999 358 W CA -0.906 56.028 57.345 -0.685 0.000 1.629 358 W CB -0.184 28.383 29.460 -1.489 0.000 1.106 358 W HN -0.163 nan 8.180 nan 0.000 0.545 359 A N 1.156 123.926 122.820 -0.084 0.000 2.488 359 A HA 0.212 4.532 4.320 -0.000 0.000 0.249 359 A C 1.239 178.852 177.584 0.050 0.000 1.083 359 A CA 0.091 52.140 52.037 0.020 0.000 0.768 359 A CB 0.473 19.299 19.000 -0.290 0.000 1.017 359 A HN 0.192 nan 8.150 nan 0.000 0.496 360 M N 1.143 120.813 119.600 0.117 0.000 2.358 360 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 360 M C 0.644 176.980 176.300 0.060 0.000 1.064 360 M CA 1.601 56.956 55.300 0.092 0.000 1.093 360 M CB -0.263 32.397 32.600 0.101 0.000 1.401 360 M HN 0.863 nan 8.290 nan 0.000 0.440 361 D N -0.588 119.856 120.400 0.074 0.000 2.427 361 D HA 0.187 4.827 4.640 -0.000 0.000 0.224 361 D C 1.268 177.561 176.300 -0.012 0.000 1.157 361 D CA 0.231 54.259 54.000 0.046 0.000 0.828 361 D CB -0.322 40.520 40.800 0.071 0.000 0.974 361 D HN 0.154 nan 8.370 nan 0.000 0.498 362 A N 1.269 124.024 122.820 -0.109 0.000 2.019 362 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 362 A C -0.259 176.887 177.584 -0.730 0.000 1.164 362 A CA 0.933 52.709 52.037 -0.435 0.000 0.644 362 A CB -1.021 17.546 19.000 -0.722 0.000 0.805 362 A HN 0.259 nan 8.150 nan 0.000 0.449 363 P HA -0.104 nan 4.420 nan 0.000 0.215 363 P C 1.272 178.530 177.300 -0.069 0.000 1.157 363 P CA 1.210 64.232 63.100 -0.130 0.000 0.859 363 P CB -0.029 31.710 31.700 0.064 0.000 0.786 364 Q N -0.456 119.314 119.800 -0.050 0.000 2.124 364 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 364 Q C 2.056 178.041 176.000 -0.026 0.000 0.977 364 Q CA 1.349 57.142 55.803 -0.016 0.000 0.850 364 Q CB -0.695 28.040 28.738 -0.006 0.000 0.901 364 Q HN 0.309 nan 8.270 nan 0.000 0.429 365 E N -0.992 119.156 120.200 -0.086 0.000 2.190 365 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 365 E C 1.479 178.080 176.600 0.001 0.000 0.978 365 E CA 0.936 57.271 56.400 -0.107 0.000 0.839 365 E CB 0.548 30.046 29.700 -0.337 0.000 0.787 365 E HN 0.212 nan 8.360 nan 0.000 0.473 366 V N -0.677 119.175 119.914 -0.103 0.000 3.278 366 V HA -0.060 4.060 4.120 -0.000 0.000 0.215 366 V C 1.840 177.888 176.094 -0.077 0.000 1.287 366 V CA 0.055 62.279 62.300 -0.127 0.000 1.302 366 V CB -0.723 30.949 31.823 -0.253 0.000 1.228 366 V HN -0.023 nan 8.190 nan 0.000 0.523 367 Y N 2.232 122.454 120.300 -0.130 0.000 2.069 367 Y HA -0.238 4.312 4.550 -0.000 0.000 0.278 367 Y C 2.606 178.437 175.900 -0.115 0.000 1.175 367 Y CA 1.463 59.469 58.100 -0.155 0.000 1.134 367 Y CB -1.537 36.863 38.460 -0.101 0.000 0.965 367 Y HN 0.313 nan 8.280 nan 0.000 0.498 368 N N 0.545 119.310 118.700 0.107 0.000 2.060 368 N HA -0.175 4.565 4.740 -0.000 0.000 0.195 368 N C 1.322 176.869 175.510 0.061 0.000 1.028 368 N CA 1.724 54.817 53.050 0.071 0.000 0.861 368 N CB -0.717 37.810 38.487 0.066 0.000 1.029 368 N HN 0.384 nan 8.380 nan 0.000 0.428 369 D N 0.517 120.982 120.400 0.108 0.000 2.123 369 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 369 D C 2.065 178.433 176.300 0.113 0.000 0.992 369 D CA 0.626 54.719 54.000 0.155 0.000 0.833 369 D CB -0.332 40.695 40.800 0.379 0.000 0.954 369 D HN 0.353 nan 8.370 nan 0.000 0.455 370 I N 0.251 120.827 120.570 0.010 0.000 2.202 370 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 370 I C 2.327 178.290 176.117 -0.257 0.000 1.091 370 I CA 0.574 61.760 61.300 -0.190 0.000 1.368 370 I CB -0.315 37.405 38.000 -0.467 0.000 1.058 370 I HN -0.086 nan 8.210 nan 0.000 0.410 371 V N 0.559 120.356 119.914 -0.194 0.000 2.282 371 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 371 V C 2.560 178.612 176.094 -0.069 0.000 1.057 371 V CA 2.378 64.582 62.300 -0.160 0.000 1.032 371 V CB -0.830 30.968 31.823 -0.042 0.000 0.645 371 V HN 0.389 nan 8.190 nan 0.000 0.447 372 S N -0.768 114.924 115.700 -0.013 0.000 2.343 372 S HA -0.226 4.244 4.470 -0.000 0.000 0.219 372 S C 1.957 176.576 174.600 0.031 0.000 1.033 372 S CA 2.053 60.269 58.200 0.026 0.000 1.014 372 S CB -0.435 62.788 63.200 0.038 0.000 0.915 372 S HN 0.471 nan 8.310 nan 0.000 0.435 373 M N 0.688 120.314 119.600 0.044 0.000 2.143 373 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 373 M C 1.804 178.175 176.300 0.119 0.000 1.071 373 M CA 1.527 56.894 55.300 0.111 0.000 1.088 373 M CB -0.403 32.339 32.600 0.237 0.000 1.360 373 M HN 0.305 nan 8.290 nan 0.000 0.404 374 I N -1.006 119.543 120.570 -0.035 0.000 2.233 374 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 374 I C 2.088 178.184 176.117 -0.035 0.000 1.093 374 I CA 1.217 62.386 61.300 -0.219 0.000 1.380 374 I CB -0.407 37.163 38.000 -0.716 0.000 1.067 374 I HN 0.317 nan 8.210 nan 0.000 0.413 375 S N 0.548 116.282 115.700 0.057 0.000 2.894 375 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 375 S C 0.742 175.404 174.600 0.104 0.000 0.971 375 S CA 0.477 58.761 58.200 0.140 0.000 1.005 375 S CB -0.655 62.628 63.200 0.138 0.000 0.799 375 S HN 0.541 nan 8.310 nan 0.000 0.527 376 E N -0.428 119.836 120.200 0.105 0.000 2.862 376 E HA 0.164 4.514 4.350 -0.000 0.000 0.204 376 E C -0.458 176.214 176.600 0.120 0.000 0.966 376 E CA -0.145 56.314 56.400 0.098 0.000 1.257 376 E CB 0.581 30.331 29.700 0.082 0.000 1.053 376 E HN 0.410 nan 8.360 nan 0.000 0.487 377 D N 0.428 120.927 120.400 0.165 0.000 3.045 377 D HA 0.036 4.676 4.640 -0.000 0.000 0.196 377 D C 1.489 177.911 176.300 0.203 0.000 1.520 377 D CA 0.009 54.127 54.000 0.197 0.000 1.466 377 D CB 0.153 41.143 40.800 0.316 0.000 1.152 377 D HN -0.117 nan 8.370 nan 0.000 0.254 378 K N 0.833 121.430 120.400 0.329 0.000 2.029 378 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 378 K C 1.142 177.872 176.600 0.218 0.000 1.042 378 K CA 0.539 57.008 56.287 0.303 0.000 0.949 378 K CB 0.468 33.282 32.500 0.523 0.000 0.740 378 K HN -0.134 nan 8.250 nan 0.000 0.442 379 K N 0.000 120.545 120.400 0.241 0.000 2.780 379 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 379 K CA 0.000 56.367 56.287 0.133 0.000 0.838 379 K CB 0.000 32.560 32.500 0.101 0.000 1.064 379 K HN 0.000 nan 8.250 nan 0.000 0.543