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 3ndn_1_C DATA FIRST_RESID 6 DATA SEQUENCE SVRTPKALPD GVSQATVGVR GGMLRSGFEE TAEAMYLTSG YVYGSAAVAE DATA SEQUENCE KSFAGELDHY VYSRYGNPTV SVFEERLRLI EGAPAAFATA SGMAAVFTSL DATA SEQUENCE GALLGAGDRL VAARSLFGSC FVVCSEILPR WGVQTVFVDG DDLSQWERAL DATA SEQUENCE SVPTQAVFFE TPSNPMQSLV DIAAVTELAH AAGAKVVLDN VFATPLLQQG DATA SEQUENCE FPLGVDVVVY SGTXHIDGQG RVLGGAILGD REYIDGPVQK LMRHTGPAMS DATA SEQUENCE AFNAWVLLKG LETLAIRVQH SNASAQRIAE FLNGHPSVRW VRYPYLPSHP DATA SEQUENCE QYDLAKRQMS GGGTVVTFAL DCPEDVAKQR AFEVLDKMRL IDISNNLGDA DATA SEQUENCE KSLVTHPATT THRAMGPEGR AAIGLGDGVV RISVGLEDTD DLIADIDRAL DATA SEQUENCE S 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.571 174.600 -0.048 0.000 1.055 6 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 6 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 7 V N 3.614 123.486 119.914 -0.069 0.000 3.541 7 V HA 0.381 4.501 4.120 -0.001 0.000 0.267 7 V C 1.524 177.596 176.094 -0.038 0.000 1.213 7 V CA 0.659 62.923 62.300 -0.059 0.000 1.149 7 V CB -0.606 31.168 31.823 -0.081 0.000 0.822 7 V HN 0.743 nan 8.190 nan 0.000 0.462 8 R N 1.342 121.802 120.500 -0.067 0.000 2.362 8 R HA 0.167 4.506 4.340 -0.001 0.000 0.227 8 R C 0.761 177.044 176.300 -0.028 0.000 0.905 8 R CA 0.595 56.666 56.100 -0.049 0.000 1.067 8 R CB 0.282 30.503 30.300 -0.131 0.000 1.078 8 R HN 0.688 nan 8.270 nan 0.000 0.516 9 T N 1.297 115.834 114.554 -0.028 0.000 2.738 9 T HA 0.247 4.597 4.350 -0.001 0.000 0.293 9 T C -1.899 172.796 174.700 -0.009 0.000 0.913 9 T CA -1.534 60.553 62.100 -0.021 0.000 1.103 9 T CB 0.991 69.845 68.868 -0.023 0.000 0.880 9 T HN -0.053 nan 8.240 nan 0.000 0.526 10 P HA 0.339 nan 4.420 nan 0.000 0.274 10 P C -0.095 177.205 177.300 -0.001 0.000 1.246 10 P CA -0.562 62.538 63.100 0.001 0.000 0.795 10 P CB 0.292 31.991 31.700 -0.002 0.000 1.006 11 K N 0.496 120.898 120.400 0.004 0.000 2.402 11 K HA 0.444 4.763 4.320 -0.001 0.000 0.285 11 K C 0.627 177.225 176.600 -0.003 0.000 1.054 11 K CA 0.024 56.312 56.287 0.003 0.000 1.001 11 K CB -0.983 31.523 32.500 0.009 0.000 0.946 11 K HN 0.710 nan 8.250 nan 0.000 0.473 12 A N 2.970 125.787 122.820 -0.006 0.000 2.440 12 A HA 0.590 4.909 4.320 -0.001 0.000 0.251 12 A C 0.188 177.767 177.584 -0.008 0.000 1.089 12 A CA -0.371 51.660 52.037 -0.009 0.000 0.779 12 A CB 0.052 19.046 19.000 -0.010 0.000 1.022 12 A HN 0.801 nan 8.150 nan 0.000 0.492 13 L N 2.485 123.701 121.223 -0.011 0.000 2.375 13 L HA 0.412 4.752 4.340 -0.001 0.000 0.268 13 L C -1.758 175.106 176.870 -0.010 0.000 1.058 13 L CA -1.935 52.899 54.840 -0.010 0.000 0.803 13 L CB 0.706 42.757 42.059 -0.013 0.000 1.212 13 L HN 0.525 nan 8.230 nan 0.000 0.451 14 P HA 0.044 nan 4.420 nan 0.000 0.270 14 P C -0.926 176.368 177.300 -0.009 0.000 1.223 14 P CA -0.358 62.738 63.100 -0.008 0.000 0.785 14 P CB 0.344 32.040 31.700 -0.006 0.000 0.923 15 D N 0.566 120.961 120.400 -0.009 0.000 2.455 15 D HA 0.181 4.821 4.640 -0.001 0.000 0.241 15 D C 1.348 177.643 176.300 -0.009 0.000 1.138 15 D CA 1.651 55.645 54.000 -0.009 0.000 0.877 15 D CB 0.506 41.301 40.800 -0.009 0.000 1.187 15 D HN 0.705 nan 8.370 nan 0.000 0.451 16 G N 1.448 110.243 108.800 -0.010 0.000 2.162 16 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 16 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 16 G C 0.593 175.488 174.900 -0.008 0.000 0.976 16 G CA 0.441 45.536 45.100 -0.008 0.000 0.655 16 G HN 0.639 nan 8.290 nan 0.000 0.533 17 V N 0.024 119.932 119.914 -0.010 0.000 2.843 17 V HA 0.688 4.808 4.120 -0.001 0.000 0.305 17 V C 0.976 177.063 176.094 -0.011 0.000 1.065 17 V CA 0.090 62.384 62.300 -0.010 0.000 1.116 17 V CB 1.197 33.013 31.823 -0.011 0.000 0.968 17 V HN 1.510 nan 8.190 nan 0.000 0.487 18 S N 2.476 118.170 115.700 -0.011 0.000 2.655 18 S HA 0.239 4.709 4.470 -0.001 0.000 0.265 18 S C 0.920 175.511 174.600 -0.015 0.000 1.240 18 S CA 0.275 58.469 58.200 -0.011 0.000 0.986 18 S CB 1.157 64.352 63.200 -0.009 0.000 0.985 18 S HN 0.888 nan 8.310 nan 0.000 0.562 19 Q N 0.269 120.060 119.800 -0.015 0.000 2.112 19 Q HA -0.175 4.165 4.340 -0.001 0.000 0.206 19 Q C 2.379 178.365 176.000 -0.025 0.000 0.987 19 Q CA 1.798 57.588 55.803 -0.021 0.000 0.858 19 Q CB -0.777 27.950 28.738 -0.019 0.000 0.905 19 Q HN 0.918 nan 8.270 nan 0.000 0.420 20 A N -0.230 122.578 122.820 -0.020 0.000 1.883 20 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 20 A C 2.199 179.770 177.584 -0.021 0.000 1.186 20 A CA 2.044 54.068 52.037 -0.021 0.000 0.624 20 A CB -0.983 18.008 19.000 -0.015 0.000 0.822 20 A HN 0.438 nan 8.150 nan 0.000 0.444 21 T N -0.533 114.010 114.554 -0.018 0.000 2.821 21 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 21 T C 1.831 176.518 174.700 -0.021 0.000 1.046 21 T CA 1.442 63.531 62.100 -0.017 0.000 1.139 21 T CB -0.348 68.511 68.868 -0.014 0.000 0.871 21 T HN 0.140 nan 8.240 nan 0.000 0.454 22 V N 1.397 121.297 119.914 -0.025 0.000 2.427 22 V HA -0.070 4.050 4.120 -0.001 0.000 0.248 22 V C 2.818 178.890 176.094 -0.038 0.000 1.051 22 V CA 1.873 64.155 62.300 -0.030 0.000 1.048 22 V CB -1.184 30.619 31.823 -0.033 0.000 0.666 22 V HN 0.596 nan 8.190 nan 0.000 0.456 23 G N -0.577 108.199 108.800 -0.039 0.000 2.422 23 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.218 23 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.218 23 G C 1.582 176.458 174.900 -0.040 0.000 1.140 23 G CA 1.220 46.292 45.100 -0.046 0.000 0.775 23 G HN 0.413 nan 8.290 nan 0.000 0.545 24 V N 0.709 120.604 119.914 -0.032 0.000 2.446 24 V HA 0.018 4.138 4.120 -0.001 0.000 0.244 24 V C 2.334 178.415 176.094 -0.022 0.000 1.039 24 V CA 1.955 64.238 62.300 -0.028 0.000 1.045 24 V CB -0.195 31.615 31.823 -0.022 0.000 0.681 24 V HN 0.574 nan 8.190 nan 0.000 0.459 25 R N 0.077 120.566 120.500 -0.019 0.000 2.566 25 R HA 0.379 4.719 4.340 -0.001 0.000 0.388 25 R C 0.804 177.097 176.300 -0.012 0.000 0.989 25 R CA 0.139 56.232 56.100 -0.011 0.000 1.164 25 R CB 0.089 30.385 30.300 -0.006 0.000 1.459 25 R HN 0.301 nan 8.270 nan 0.000 0.553 26 G N 0.189 108.977 108.800 -0.021 0.000 2.467 26 G HA2 0.401 4.360 3.960 -0.001 0.000 0.257 26 G HA3 0.401 4.360 3.960 -0.001 0.000 0.257 26 G C 0.936 175.824 174.900 -0.021 0.000 1.227 26 G CA 0.134 45.219 45.100 -0.024 0.000 0.835 26 G HN 0.364 nan 8.290 nan 0.000 0.556 27 G N 0.560 109.350 108.800 -0.017 0.000 2.162 27 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 27 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 27 G C 0.620 175.527 174.900 0.012 0.000 0.976 27 G CA 0.541 45.635 45.100 -0.011 0.000 0.655 27 G HN 0.708 nan 8.290 nan 0.000 0.533 28 M N -0.110 119.500 119.600 0.018 0.000 2.245 28 M HA 0.466 4.946 4.480 -0.001 0.000 0.344 28 M C 0.383 176.708 176.300 0.042 0.000 1.170 28 M CA 0.623 55.945 55.300 0.037 0.000 1.135 28 M CB 0.627 33.248 32.600 0.035 0.000 1.574 28 M HN 0.083 nan 8.290 nan 0.000 0.452 29 L N 3.716 124.977 121.223 0.064 0.000 2.470 29 L HA 0.417 4.757 4.340 -0.001 0.000 0.253 29 L C -0.274 176.649 176.870 0.087 0.000 1.163 29 L CA -0.306 54.572 54.840 0.064 0.000 0.932 29 L CB 0.644 42.742 42.059 0.065 0.000 1.213 29 L HN 0.625 nan 8.230 nan 0.000 0.485 30 R N 0.720 121.263 120.500 0.073 0.000 2.594 30 R HA 0.328 4.668 4.340 -0.001 0.000 0.272 30 R C 0.740 177.089 176.300 0.082 0.000 1.074 30 R CA -0.149 56.004 56.100 0.087 0.000 1.105 30 R CB 1.194 31.534 30.300 0.067 0.000 1.008 30 R HN 0.635 nan 8.270 nan 0.000 0.472 31 S N 0.692 116.462 115.700 0.117 0.000 2.641 31 S HA 0.125 4.595 4.470 -0.001 0.000 0.261 31 S C 1.503 176.095 174.600 -0.014 0.000 1.257 31 S CA -0.334 57.911 58.200 0.074 0.000 0.983 31 S CB 1.172 64.475 63.200 0.171 0.000 0.990 31 S HN 0.708 nan 8.310 nan 0.000 0.572 32 G N -0.332 108.375 108.800 -0.156 0.000 2.479 32 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.220 32 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.220 32 G C 0.703 175.472 174.900 -0.219 0.000 1.115 32 G CA 0.453 45.412 45.100 -0.235 0.000 0.757 32 G HN 0.622 nan 8.290 nan 0.000 0.560 33 F N 0.363 120.330 119.950 0.029 0.000 2.661 33 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 33 F C 1.459 177.269 175.800 0.017 0.000 1.137 33 F CA 0.365 58.377 58.000 0.020 0.000 1.454 33 F CB -0.064 38.945 39.000 0.016 0.000 1.103 33 F HN 0.250 nan 8.300 nan 0.000 0.577 34 E N 0.489 120.784 120.200 0.159 0.000 2.586 34 E HA -0.217 4.133 4.350 -0.001 0.000 0.259 34 E C -0.077 176.583 176.600 0.100 0.000 1.107 34 E CA 0.486 56.947 56.400 0.102 0.000 0.754 34 E CB -1.613 28.129 29.700 0.070 0.000 1.335 34 E HN 0.597 nan 8.360 nan 0.000 0.411 35 E N 0.322 120.594 120.200 0.120 0.000 2.608 35 E HA -0.065 4.284 4.350 -0.001 0.000 0.259 35 E C 0.504 177.141 176.600 0.061 0.000 0.951 35 E CA 1.029 57.476 56.400 0.079 0.000 0.945 35 E CB 0.635 30.379 29.700 0.073 0.000 0.916 35 E HN 0.037 nan 8.360 nan 0.000 0.477 36 T N 2.526 117.108 114.554 0.046 0.000 2.674 36 T HA -0.020 4.330 4.350 -0.001 0.000 0.265 36 T C 0.894 175.620 174.700 0.044 0.000 1.039 36 T CA 1.527 63.651 62.100 0.039 0.000 1.150 36 T CB -0.047 68.839 68.868 0.030 0.000 0.864 36 T HN 0.722 nan 8.240 nan 0.000 0.427 37 A N 1.435 124.286 122.820 0.051 0.000 2.286 37 A HA 0.489 4.809 4.320 -0.001 0.000 0.286 37 A C -0.226 177.411 177.584 0.088 0.000 1.097 37 A CA -0.662 51.416 52.037 0.070 0.000 0.821 37 A CB 0.318 19.371 19.000 0.088 0.000 1.076 37 A HN 0.330 nan 8.150 nan 0.000 0.490 38 E N 0.869 121.139 120.200 0.117 0.000 2.324 38 E HA 0.426 4.775 4.350 -0.001 0.000 0.271 38 E C 0.401 177.082 176.600 0.136 0.000 1.028 38 E CA 0.486 56.966 56.400 0.133 0.000 0.890 38 E CB 0.820 30.605 29.700 0.140 0.000 1.004 38 E HN 0.760 nan 8.360 nan 0.000 0.431 39 A N 3.875 126.720 122.820 0.042 0.000 2.386 39 A HA 0.285 4.605 4.320 -0.001 0.000 0.248 39 A C -0.136 177.307 177.584 -0.235 0.000 1.082 39 A CA -0.242 51.698 52.037 -0.162 0.000 0.789 39 A CB 0.356 19.171 19.000 -0.309 0.000 1.025 39 A HN 0.707 nan 8.150 nan 0.000 0.490 40 M N 2.494 121.843 119.600 -0.418 0.000 2.072 40 M HA 0.381 4.860 4.480 -0.001 0.000 0.331 40 M C -1.873 174.179 176.300 -0.414 0.000 1.004 40 M CA -0.316 54.780 55.300 -0.339 0.000 0.952 40 M CB 0.536 32.875 32.600 -0.436 0.000 1.511 40 M HN 0.692 nan 8.290 nan 0.000 0.422 41 Y N 5.877 126.142 120.300 -0.059 0.000 2.802 41 Y HA 0.290 4.840 4.550 -0.000 0.000 0.330 41 Y C -0.211 175.639 175.900 -0.082 0.000 1.193 41 Y CA -0.324 57.735 58.100 -0.069 0.000 1.427 41 Y CB 0.049 38.469 38.460 -0.067 0.000 1.357 41 Y HN 0.536 nan 8.280 nan 0.000 0.501 42 L N 3.258 124.476 121.223 -0.008 0.000 2.415 42 L HA 0.224 4.564 4.340 -0.001 0.000 0.269 42 L C 0.459 177.292 176.870 -0.062 0.000 1.244 42 L CA 0.205 55.026 54.840 -0.032 0.000 1.113 42 L CB -0.237 41.791 42.059 -0.052 0.000 1.352 42 L HN 0.481 nan 8.230 nan 0.000 0.433 43 T N -0.878 113.616 114.554 -0.100 0.000 2.916 43 T HA 0.294 4.644 4.350 -0.001 0.000 0.305 43 T C 0.755 175.282 174.700 -0.289 0.000 1.119 43 T CA -0.133 61.841 62.100 -0.211 0.000 1.008 43 T CB 1.770 70.454 68.868 -0.307 0.000 1.129 43 T HN 0.476 nan 8.240 nan 0.000 0.480 44 S N 2.077 117.593 115.700 -0.307 0.000 2.475 44 S HA 0.431 4.900 4.470 -0.001 0.000 0.224 44 S C 1.045 175.346 174.600 -0.498 0.000 1.042 44 S CA 0.340 58.300 58.200 -0.400 0.000 0.935 44 S CB 0.048 63.078 63.200 -0.283 0.000 0.801 44 S HN 0.946 nan 8.310 nan 0.000 0.509 45 G N -0.610 107.951 108.800 -0.399 0.000 3.042 45 G HA2 0.694 4.653 3.960 -0.001 0.000 0.278 45 G HA3 0.694 4.653 3.960 -0.001 0.000 0.278 45 G C -1.792 172.654 174.900 -0.756 0.000 1.371 45 G CA -1.010 43.917 45.100 -0.287 0.000 1.009 45 G HN 0.266 nan 8.290 nan 0.000 0.523 46 Y N -1.500 118.810 120.300 0.016 0.000 2.553 46 Y HA 0.554 5.104 4.550 -0.001 0.000 0.347 46 Y C 0.356 176.097 175.900 -0.266 0.000 1.019 46 Y CA -1.020 57.027 58.100 -0.089 0.000 1.032 46 Y CB 2.323 40.770 38.460 -0.021 0.000 1.284 46 Y HN 0.502 nan 8.280 nan 0.000 0.466 47 V N -1.127 118.689 119.914 -0.162 0.000 2.966 47 V HA 0.696 4.816 4.120 -0.001 0.000 0.317 47 V C -1.523 174.276 176.094 -0.491 0.000 1.070 47 V CA -1.096 61.047 62.300 -0.262 0.000 1.008 47 V CB 1.522 33.317 31.823 -0.047 0.000 1.070 47 V HN 0.664 nan 8.190 nan 0.000 0.457 48 Y N 0.599 120.952 120.300 0.089 0.000 2.536 48 Y HA 0.728 5.278 4.550 -0.000 0.000 0.347 48 Y C 1.279 177.202 175.900 0.039 0.000 1.000 48 Y CA -0.296 57.815 58.100 0.017 0.000 1.051 48 Y CB 2.261 40.666 38.460 -0.091 0.000 1.259 48 Y HN 0.725 nan 8.280 nan 0.000 0.468 49 G N 0.273 109.188 108.800 0.192 0.000 2.511 49 G HA2 0.197 4.157 3.960 -0.001 0.000 0.217 49 G HA3 0.197 4.157 3.960 -0.001 0.000 0.217 49 G C 0.020 174.977 174.900 0.095 0.000 1.133 49 G CA 0.803 45.976 45.100 0.120 0.000 0.792 49 G HN 0.580 nan 8.290 nan 0.000 0.539 50 S N -2.744 113.015 115.700 0.098 0.000 2.588 50 S HA 0.642 5.111 4.470 -0.001 0.000 0.269 50 S C 0.763 175.375 174.600 0.021 0.000 1.157 50 S CA 0.166 58.397 58.200 0.051 0.000 0.824 50 S CB 1.351 64.569 63.200 0.031 0.000 1.126 50 S HN 0.527 nan 8.310 nan 0.000 0.464 51 A N 1.083 123.900 122.820 -0.005 0.000 1.972 51 A HA 0.286 4.605 4.320 -0.001 0.000 0.219 51 A C 2.256 179.791 177.584 -0.081 0.000 1.169 51 A CA 1.939 53.947 52.037 -0.047 0.000 0.635 51 A CB -1.532 17.447 19.000 -0.036 0.000 0.810 51 A HN 1.532 nan 8.150 nan 0.000 0.446 52 A N -0.488 122.301 122.820 -0.052 0.000 1.877 52 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 52 A C 2.211 179.749 177.584 -0.078 0.000 1.186 52 A CA 1.803 53.808 52.037 -0.053 0.000 0.620 52 A CB -1.016 17.968 19.000 -0.026 0.000 0.822 52 A HN 0.401 nan 8.150 nan 0.000 0.443 53 V N -0.033 119.841 119.914 -0.067 0.000 2.392 53 V HA -0.271 3.848 4.120 -0.001 0.000 0.249 53 V C 3.045 178.977 176.094 -0.270 0.000 1.059 53 V CA 1.921 64.172 62.300 -0.082 0.000 1.051 53 V CB -1.247 30.583 31.823 0.013 0.000 0.658 53 V HN 0.635 nan 8.190 nan 0.000 0.455 54 A N -0.258 122.292 122.820 -0.451 0.000 1.883 54 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 54 A C 2.306 179.622 177.584 -0.446 0.000 1.186 54 A CA 2.160 53.650 52.037 -0.911 0.000 0.624 54 A CB -0.549 18.008 19.000 -0.739 0.000 0.822 54 A HN 0.652 nan 8.150 nan 0.000 0.444 55 E N -0.077 119.982 120.200 -0.236 0.000 2.051 55 E HA -0.241 4.108 4.350 -0.001 0.000 0.192 55 E C 1.982 178.561 176.600 -0.036 0.000 0.991 55 E CA 1.583 57.919 56.400 -0.108 0.000 0.799 55 E CB -0.149 29.501 29.700 -0.083 0.000 0.748 55 E HN 0.621 nan 8.360 nan 0.000 0.449 56 K N 0.095 120.461 120.400 -0.058 0.000 2.097 56 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 56 K C 2.379 178.977 176.600 -0.003 0.000 1.049 56 K CA 1.397 57.671 56.287 -0.020 0.000 0.933 56 K CB -0.002 32.485 32.500 -0.022 0.000 0.717 56 K HN 0.020 nan 8.250 nan 0.000 0.442 57 S N 0.861 116.540 115.700 -0.035 0.000 2.355 57 S HA -0.126 4.343 4.470 -0.001 0.000 0.222 57 S C 1.646 176.292 174.600 0.076 0.000 1.031 57 S CA 1.002 59.217 58.200 0.024 0.000 0.993 57 S CB -0.346 62.866 63.200 0.021 0.000 0.859 57 S HN 0.249 nan 8.310 nan 0.000 0.453 58 F N 2.251 122.165 119.950 -0.060 0.000 2.202 58 F HA -0.091 4.435 4.527 -0.001 0.000 0.301 58 F C 2.210 178.015 175.800 0.008 0.000 1.082 58 F CA 0.927 58.927 58.000 -0.000 0.000 1.313 58 F CB -0.274 38.703 39.000 -0.037 0.000 1.024 58 F HN 0.199 nan 8.300 nan 0.000 0.495 59 A N -0.541 122.346 122.820 0.112 0.000 2.208 59 A HA 0.315 4.635 4.320 -0.001 0.000 0.209 59 A C 1.899 179.475 177.584 -0.013 0.000 1.161 59 A CA 0.823 52.889 52.037 0.048 0.000 0.782 59 A CB -1.222 17.811 19.000 0.055 0.000 0.816 59 A HN 0.813 nan 8.150 nan 0.000 0.477 60 G N -0.577 108.209 108.800 -0.023 0.000 2.143 60 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.248 60 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.248 60 G C 0.471 175.361 174.900 -0.018 0.000 0.991 60 G CA 0.711 45.793 45.100 -0.030 0.000 0.689 60 G HN 0.605 nan 8.290 nan 0.000 0.522 61 E N -0.843 119.353 120.200 -0.006 0.000 2.371 61 E HA 0.275 4.624 4.350 -0.001 0.000 0.194 61 E C 1.140 177.739 176.600 -0.002 0.000 1.012 61 E CA 0.395 56.792 56.400 -0.005 0.000 0.860 61 E CB 0.251 29.951 29.700 -0.001 0.000 0.811 61 E HN 0.598 nan 8.360 nan 0.000 0.502 62 L N 0.814 122.040 121.223 0.006 0.000 2.323 62 L HA 0.208 4.548 4.340 -0.001 0.000 0.265 62 L C 0.278 177.149 176.870 0.002 0.000 1.012 62 L CA -0.758 54.092 54.840 0.016 0.000 0.820 62 L CB 1.576 43.666 42.059 0.051 0.000 1.334 62 L HN -0.052 nan 8.230 nan 0.000 0.427 63 D N -1.251 119.133 120.400 -0.027 0.000 2.325 63 D HA -0.080 4.560 4.640 -0.001 0.000 0.225 63 D C 0.596 176.787 176.300 -0.183 0.000 1.096 63 D CA -0.177 53.755 54.000 -0.114 0.000 0.844 63 D CB -0.072 40.641 40.800 -0.144 0.000 0.925 63 D HN 0.346 nan 8.370 nan 0.000 0.513 64 H N 0.890 119.874 119.070 -0.144 0.000 3.064 64 H HA -0.086 4.469 4.556 -0.001 0.000 0.329 64 H C -0.426 174.768 175.328 -0.224 0.000 1.020 64 H CA 0.308 56.288 56.048 -0.114 0.000 1.402 64 H CB 0.161 29.968 29.762 0.076 0.000 1.379 64 H HN 0.024 nan 8.280 nan 0.000 0.594 65 Y N 3.317 123.451 120.300 -0.277 0.000 2.578 65 Y HA -0.073 4.476 4.550 -0.000 0.000 0.339 65 Y C 1.425 177.187 175.900 -0.231 0.000 1.231 65 Y CA 0.145 57.920 58.100 -0.542 0.000 1.461 65 Y CB 0.623 38.248 38.460 -1.392 0.000 1.323 65 Y HN 0.355 nan 8.280 nan 0.000 0.590 66 V N 1.141 121.097 119.914 0.069 0.000 3.058 66 V HA 0.139 4.258 4.120 -0.001 0.000 0.233 66 V C -1.136 175.276 176.094 0.529 0.000 1.255 66 V CA -0.170 62.363 62.300 0.388 0.000 1.267 66 V CB 0.387 32.418 31.823 0.347 0.000 1.049 66 V HN 0.666 nan 8.190 nan 0.000 0.486 67 Y N -1.072 119.253 120.300 0.041 0.000 2.436 67 Y HA 0.325 4.875 4.550 -0.000 0.000 0.327 67 Y C 0.898 176.696 175.900 -0.169 0.000 1.138 67 Y CA -0.314 57.769 58.100 -0.028 0.000 1.042 67 Y CB 2.287 40.671 38.460 -0.126 0.000 1.302 67 Y HN -0.106 nan 8.280 nan 0.000 0.439 68 S N 3.505 118.973 115.700 -0.386 0.000 2.507 68 S HA -0.090 4.380 4.470 -0.001 0.000 0.235 68 S C 1.856 176.360 174.600 -0.161 0.000 0.988 68 S CA 0.748 58.821 58.200 -0.212 0.000 0.944 68 S CB -0.138 62.949 63.200 -0.189 0.000 0.762 68 S HN 0.689 nan 8.310 nan 0.000 0.526 69 R N 0.476 120.874 120.500 -0.170 0.000 2.159 69 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 69 R C 1.233 177.707 176.300 0.291 0.000 1.131 69 R CA 1.467 57.655 56.100 0.147 0.000 0.982 69 R CB -0.023 30.514 30.300 0.395 0.000 0.868 69 R HN 0.748 nan 8.270 nan 0.000 0.453 70 Y N -4.315 116.128 120.300 0.239 0.000 2.610 70 Y HA 0.529 5.078 4.550 -0.000 0.000 0.254 70 Y C -0.001 176.018 175.900 0.198 0.000 1.110 70 Y CA -0.347 57.921 58.100 0.280 0.000 1.238 70 Y CB 0.606 39.210 38.460 0.241 0.000 1.322 70 Y HN -0.071 nan 8.280 nan 0.000 0.547 71 G N 1.362 110.190 108.800 0.047 0.000 2.715 71 G HA2 0.353 4.313 3.960 -0.001 0.000 0.297 71 G HA3 0.353 4.313 3.960 -0.001 0.000 0.297 71 G C -2.475 172.517 174.900 0.154 0.000 1.386 71 G CA -0.865 44.319 45.100 0.140 0.000 1.157 71 G HN 0.196 nan 8.290 nan 0.000 0.585 72 N N 2.730 121.464 118.700 0.057 0.000 2.324 72 N HA 0.426 5.166 4.740 -0.001 0.000 0.285 72 N C -2.328 172.946 175.510 -0.394 0.000 1.076 72 N CA -1.644 51.271 53.050 -0.224 0.000 0.864 72 N CB 3.513 41.981 38.487 -0.032 0.000 1.632 72 N HN 0.059 nan 8.380 nan 0.000 0.478 73 P HA -0.019 nan 4.420 nan 0.000 0.218 73 P C 1.005 178.293 177.300 -0.019 0.000 1.149 73 P CA 1.431 64.262 63.100 -0.448 0.000 0.817 73 P CB 0.298 31.623 31.700 -0.625 0.000 0.785 74 T N -0.856 113.752 114.554 0.090 0.000 2.812 74 T HA -0.047 4.303 4.350 -0.001 0.000 0.264 74 T C 1.854 176.633 174.700 0.133 0.000 1.042 74 T CA 0.943 63.138 62.100 0.158 0.000 1.140 74 T CB -0.923 68.048 68.868 0.172 0.000 0.870 74 T HN -0.113 nan 8.240 nan 0.000 0.445 75 V N 1.717 121.690 119.914 0.098 0.000 2.407 75 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 75 V C 2.681 178.865 176.094 0.150 0.000 1.055 75 V CA 1.658 64.036 62.300 0.130 0.000 1.049 75 V CB -0.816 31.062 31.823 0.092 0.000 0.662 75 V HN 0.426 nan 8.190 nan 0.000 0.455 76 S N -0.131 115.626 115.700 0.097 0.000 2.382 76 S HA -0.159 4.311 4.470 -0.001 0.000 0.228 76 S C 2.031 176.674 174.600 0.072 0.000 1.027 76 S CA 1.478 59.725 58.200 0.078 0.000 0.991 76 S CB -0.190 63.079 63.200 0.115 0.000 0.823 76 S HN 0.415 nan 8.310 nan 0.000 0.469 77 V N 1.437 121.409 119.914 0.098 0.000 2.295 77 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 77 V C 1.883 178.027 176.094 0.084 0.000 1.049 77 V CA 2.013 64.364 62.300 0.085 0.000 1.024 77 V CB -0.812 31.074 31.823 0.105 0.000 0.648 77 V HN 0.542 nan 8.190 nan 0.000 0.447 78 F N 1.324 121.281 119.950 0.012 0.000 2.095 78 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 78 F C 2.389 178.193 175.800 0.006 0.000 1.104 78 F CA 2.282 60.283 58.000 0.002 0.000 1.232 78 F CB -0.327 38.678 39.000 0.009 0.000 0.987 78 F HN 0.211 nan 8.300 nan 0.000 0.475 79 E N -0.308 119.832 120.200 -0.100 0.000 2.051 79 E HA -0.282 4.067 4.350 -0.001 0.000 0.192 79 E C 2.082 178.564 176.600 -0.197 0.000 0.991 79 E CA 1.543 57.835 56.400 -0.181 0.000 0.799 79 E CB -0.278 29.405 29.700 -0.029 0.000 0.748 79 E HN 0.437 nan 8.360 nan 0.000 0.449 80 E N 1.051 121.180 120.200 -0.118 0.000 2.106 80 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 80 E C 1.983 178.511 176.600 -0.120 0.000 0.984 80 E CA 1.069 57.412 56.400 -0.095 0.000 0.806 80 E CB 0.005 29.675 29.700 -0.051 0.000 0.750 80 E HN 0.053 nan 8.360 nan 0.000 0.458 81 R N -0.334 120.079 120.500 -0.144 0.000 2.070 81 R HA -0.144 4.195 4.340 -0.001 0.000 0.233 81 R C 2.298 178.482 176.300 -0.193 0.000 1.137 81 R CA 1.549 57.563 56.100 -0.143 0.000 0.945 81 R CB -0.522 29.706 30.300 -0.118 0.000 0.845 81 R HN 0.315 nan 8.270 nan 0.000 0.430 82 L N 1.389 122.413 121.223 -0.331 0.000 2.042 82 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 82 L C 2.457 179.236 176.870 -0.152 0.000 1.076 82 L CA 1.823 56.479 54.840 -0.305 0.000 0.749 82 L CB -0.592 41.163 42.059 -0.506 0.000 0.893 82 L HN 0.167 nan 8.230 nan 0.000 0.432 83 R N -0.801 119.620 120.500 -0.133 0.000 2.091 83 R HA -0.172 4.168 4.340 -0.001 0.000 0.238 83 R C 2.241 178.501 176.300 -0.067 0.000 1.136 83 R CA 1.943 58.000 56.100 -0.073 0.000 0.959 83 R CB -0.308 29.947 30.300 -0.076 0.000 0.856 83 R HN 0.457 nan 8.270 nan 0.000 0.437 84 L N -0.001 121.177 121.223 -0.075 0.000 2.179 84 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 84 L C 2.294 179.136 176.870 -0.048 0.000 1.096 84 L CA 0.745 55.549 54.840 -0.060 0.000 0.779 84 L CB -0.171 41.853 42.059 -0.057 0.000 0.922 84 L HN 0.217 nan 8.230 nan 0.000 0.443 85 I N -0.181 120.354 120.570 -0.058 0.000 2.315 85 I HA -0.246 3.924 4.170 -0.001 0.000 0.248 85 I C 2.529 178.639 176.117 -0.010 0.000 1.117 85 I CA 1.065 62.337 61.300 -0.047 0.000 1.404 85 I CB -0.046 37.906 38.000 -0.080 0.000 1.071 85 I HN 0.236 nan 8.210 nan 0.000 0.419 86 E N 1.181 121.391 120.200 0.016 0.000 2.112 86 E HA -0.019 4.330 4.350 -0.001 0.000 0.190 86 E C 1.355 178.011 176.600 0.095 0.000 0.979 86 E CA 1.026 57.491 56.400 0.109 0.000 0.814 86 E CB 0.019 29.848 29.700 0.215 0.000 0.762 86 E HN 0.358 nan 8.360 nan 0.000 0.460 87 G N -0.251 108.552 108.800 0.005 0.000 2.204 87 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.244 87 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.244 87 G C 0.086 174.863 174.900 -0.204 0.000 1.062 87 G CA 0.226 45.296 45.100 -0.051 0.000 0.798 87 G HN 0.590 nan 8.290 nan 0.000 0.496 88 A N -0.248 122.412 122.820 -0.266 0.000 2.282 88 A HA 0.922 5.241 4.320 -0.001 0.000 0.319 88 A C -0.349 177.032 177.584 -0.338 0.000 1.121 88 A CA -0.934 50.766 52.037 -0.561 0.000 0.836 88 A CB 1.071 19.850 19.000 -0.367 0.000 1.146 88 A HN 0.070 nan 8.150 nan 0.000 0.494 89 P HA 0.190 nan 4.420 nan 0.000 0.220 89 P C 0.167 177.414 177.300 -0.089 0.000 1.152 89 P CA 1.688 64.688 63.100 -0.168 0.000 0.812 89 P CB 0.228 31.848 31.700 -0.133 0.000 0.792 90 A N -1.744 121.040 122.820 -0.059 0.000 2.601 90 A HA 0.745 5.065 4.320 -0.001 0.000 0.291 90 A C -1.818 175.797 177.584 0.052 0.000 1.075 90 A CA -0.110 51.928 52.037 0.002 0.000 0.671 90 A CB 1.013 20.034 19.000 0.035 0.000 1.277 90 A HN 0.103 nan 8.150 nan 0.000 0.417 91 A N -0.025 122.831 122.820 0.059 0.000 2.549 91 A HA 0.831 5.151 4.320 -0.001 0.000 0.297 91 A C -1.668 175.997 177.584 0.135 0.000 1.061 91 A CA -0.307 51.795 52.037 0.109 0.000 0.690 91 A CB 1.012 20.040 19.000 0.046 0.000 1.287 91 A HN 1.649 nan 8.150 nan 0.000 0.402 92 F N 1.357 121.367 119.950 0.100 0.000 2.562 92 F HA 0.614 5.141 4.527 -0.000 0.000 0.319 92 F C 0.472 176.372 175.800 0.166 0.000 1.154 92 F CA -0.289 57.778 58.000 0.110 0.000 0.931 92 F CB 1.761 40.798 39.000 0.062 0.000 1.198 92 F HN 0.919 nan 8.300 nan 0.000 0.444 93 A N 3.004 126.101 122.820 0.461 0.000 2.322 93 A HA 0.703 5.023 4.320 -0.001 0.000 0.269 93 A C -0.105 177.719 177.584 0.400 0.000 1.094 93 A CA 0.210 52.510 52.037 0.438 0.000 0.807 93 A CB 0.588 19.824 19.000 0.394 0.000 1.047 93 A HN 0.758 nan 8.150 nan 0.000 0.487 94 T N -2.816 111.905 114.554 0.279 0.000 2.865 94 T HA 0.622 4.971 4.350 -0.001 0.000 0.294 94 T C 0.794 175.581 174.700 0.145 0.000 1.119 94 T CA 0.010 62.235 62.100 0.207 0.000 1.007 94 T CB 1.320 70.300 68.868 0.187 0.000 1.225 94 T HN 1.355 nan 8.240 nan 0.000 0.515 95 A N 0.946 123.842 122.820 0.127 0.000 2.015 95 A HA 0.415 4.734 4.320 -0.001 0.000 0.219 95 A C 1.267 178.906 177.584 0.093 0.000 1.163 95 A CA 1.221 53.318 52.037 0.100 0.000 0.646 95 A CB -0.988 18.071 19.000 0.098 0.000 0.806 95 A HN 1.780 nan 8.150 nan 0.000 0.448 96 S N -4.824 110.943 115.700 0.112 0.000 2.611 96 S HA 0.512 4.982 4.470 -0.001 0.000 0.268 96 S C 0.936 175.618 174.600 0.136 0.000 1.156 96 S CA 0.103 58.370 58.200 0.112 0.000 0.817 96 S CB 0.775 64.040 63.200 0.110 0.000 1.122 96 S HN 0.739 nan 8.310 nan 0.000 0.466 97 G N 0.659 109.538 108.800 0.131 0.000 2.442 97 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.219 97 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.219 97 G C 1.097 176.092 174.900 0.158 0.000 1.141 97 G CA 0.996 46.182 45.100 0.143 0.000 0.763 97 G HN 0.534 nan 8.290 nan 0.000 0.554 98 M N 1.042 120.741 119.600 0.166 0.000 2.319 98 M HA 0.184 4.663 4.480 -0.001 0.000 0.265 98 M C 2.856 179.275 176.300 0.200 0.000 1.068 98 M CA 0.716 56.133 55.300 0.195 0.000 1.118 98 M CB -0.964 31.758 32.600 0.203 0.000 1.395 98 M HN 0.315 nan 8.290 nan 0.000 0.435 99 A N -0.168 122.761 122.820 0.182 0.000 1.968 99 A HA 0.116 4.436 4.320 -0.001 0.000 0.217 99 A C 2.397 180.096 177.584 0.191 0.000 1.169 99 A CA 1.619 53.776 52.037 0.201 0.000 0.638 99 A CB -0.674 18.424 19.000 0.163 0.000 0.812 99 A HN 0.433 nan 8.150 nan 0.000 0.446 100 A N -0.417 122.506 122.820 0.171 0.000 1.898 100 A HA 0.037 4.356 4.320 -0.001 0.000 0.216 100 A C 2.216 179.879 177.584 0.132 0.000 1.181 100 A CA 1.688 53.817 52.037 0.154 0.000 0.620 100 A CB -0.886 18.221 19.000 0.178 0.000 0.819 100 A HN 0.327 nan 8.150 nan 0.000 0.442 101 V N -1.080 118.922 119.914 0.146 0.000 2.237 101 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 101 V C 2.302 178.419 176.094 0.037 0.000 1.046 101 V CA 2.278 64.629 62.300 0.085 0.000 1.007 101 V CB -0.991 30.892 31.823 0.100 0.000 0.638 101 V HN 0.646 nan 8.190 nan 0.000 0.445 102 F N 1.306 121.256 119.950 -0.000 0.000 2.134 102 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 102 F C 2.381 178.186 175.800 0.008 0.000 1.097 102 F CA 2.342 60.345 58.000 0.004 0.000 1.264 102 F CB -0.649 38.382 39.000 0.051 0.000 1.001 102 F HN 0.121 nan 8.300 nan 0.000 0.479 103 T N -0.244 114.228 114.554 -0.137 0.000 2.857 103 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 103 T C 2.281 176.854 174.700 -0.212 0.000 1.048 103 T CA 1.444 63.393 62.100 -0.252 0.000 1.139 103 T CB -0.550 68.280 68.868 -0.064 0.000 0.874 103 T HN 0.485 nan 8.240 nan 0.000 0.455 104 S N 2.059 117.712 115.700 -0.078 0.000 2.368 104 S HA -0.033 4.437 4.470 -0.001 0.000 0.225 104 S C 2.067 176.679 174.600 0.020 0.000 1.030 104 S CA 0.967 59.197 58.200 0.049 0.000 0.999 104 S CB -0.819 62.460 63.200 0.132 0.000 0.844 104 S HN 0.436 nan 8.310 nan 0.000 0.459 105 L N 1.398 122.556 121.223 -0.109 0.000 2.131 105 L HA 0.161 4.500 4.340 -0.001 0.000 0.206 105 L C 3.047 179.804 176.870 -0.188 0.000 1.087 105 L CA 0.893 55.655 54.840 -0.130 0.000 0.767 105 L CB -1.166 40.785 42.059 -0.181 0.000 0.917 105 L HN 0.512 nan 8.230 nan 0.000 0.441 106 G N 0.021 108.584 108.800 -0.395 0.000 2.442 106 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.219 106 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.219 106 G C 1.727 176.487 174.900 -0.234 0.000 1.141 106 G CA 0.814 45.654 45.100 -0.433 0.000 0.763 106 G HN 0.457 nan 8.290 nan 0.000 0.554 107 A N -0.131 122.584 122.820 -0.174 0.000 2.121 107 A HA 0.259 4.579 4.320 -0.001 0.000 0.218 107 A C 2.243 179.843 177.584 0.027 0.000 1.154 107 A CA 0.931 52.917 52.037 -0.084 0.000 0.679 107 A CB -0.161 18.768 19.000 -0.119 0.000 0.795 107 A HN 0.390 nan 8.150 nan 0.000 0.458 108 L N -1.664 119.580 121.223 0.035 0.000 2.515 108 L HA 0.309 4.649 4.340 -0.001 0.000 0.223 108 L C -0.322 176.550 176.870 0.003 0.000 1.079 108 L CA 0.110 54.978 54.840 0.046 0.000 0.857 108 L CB 0.248 42.334 42.059 0.045 0.000 1.050 108 L HN 0.172 nan 8.230 nan 0.000 0.476 109 L N 0.001 121.208 121.223 -0.026 0.000 2.372 109 L HA 0.588 4.928 4.340 -0.001 0.000 0.273 109 L C 0.127 176.982 176.870 -0.024 0.000 0.989 109 L CA -0.432 54.396 54.840 -0.019 0.000 0.841 109 L CB 1.586 43.634 42.059 -0.017 0.000 1.225 109 L HN -0.111 nan 8.230 nan 0.000 0.414 110 G N 1.402 110.195 108.800 -0.013 0.000 2.601 110 G HA2 0.705 4.665 3.960 -0.001 0.000 0.317 110 G HA3 0.705 4.665 3.960 -0.001 0.000 0.317 110 G C -0.446 174.466 174.900 0.020 0.000 1.246 110 G CA -0.652 44.442 45.100 -0.010 0.000 1.012 110 G HN 0.686 nan 8.290 nan 0.000 0.494 111 A N -1.322 121.517 122.820 0.031 0.000 2.546 111 A HA 0.494 4.813 4.320 -0.001 0.000 0.243 111 A C 1.536 179.138 177.584 0.031 0.000 1.063 111 A CA 1.411 53.479 52.037 0.050 0.000 0.757 111 A CB -0.522 18.513 19.000 0.059 0.000 0.991 111 A HN 2.585 nan 8.150 nan 0.000 0.503 112 G N 2.127 110.946 108.800 0.032 0.000 2.176 112 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.232 112 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.232 112 G C -0.137 174.773 174.900 0.017 0.000 0.986 112 G CA 0.306 45.419 45.100 0.022 0.000 0.643 112 G HN 0.802 nan 8.290 nan 0.000 0.522 113 D N -0.428 119.982 120.400 0.017 0.000 2.387 113 D HA 0.638 5.278 4.640 -0.001 0.000 0.255 113 D C 0.461 176.767 176.300 0.010 0.000 1.081 113 D CA -0.384 53.623 54.000 0.013 0.000 0.994 113 D CB 1.125 41.931 40.800 0.010 0.000 1.127 113 D HN 0.331 nan 8.370 nan 0.000 0.513 114 R N 0.755 121.260 120.500 0.009 0.000 2.480 114 R HA 0.513 4.853 4.340 -0.001 0.000 0.306 114 R C -1.631 174.672 176.300 0.005 0.000 0.958 114 R CA -0.781 55.321 56.100 0.004 0.000 0.861 114 R CB 0.916 31.222 30.300 0.010 0.000 1.171 114 R HN 0.287 nan 8.270 nan 0.000 0.445 115 L N 4.892 126.106 121.223 -0.016 0.000 2.341 115 L HA 0.501 4.840 4.340 -0.001 0.000 0.278 115 L C -1.561 175.286 176.870 -0.037 0.000 1.005 115 L CA -0.539 54.293 54.840 -0.013 0.000 0.818 115 L CB 2.129 44.164 42.059 -0.041 0.000 1.259 115 L HN 0.383 nan 8.230 nan 0.000 0.418 116 V N 5.053 124.993 119.914 0.044 0.000 2.370 116 V HA 0.901 5.021 4.120 -0.001 0.000 0.283 116 V C 0.203 176.393 176.094 0.161 0.000 1.023 116 V CA -0.052 62.284 62.300 0.060 0.000 0.857 116 V CB 0.934 32.859 31.823 0.169 0.000 0.985 116 V HN 1.012 nan 8.190 nan 0.000 0.443 117 A N 3.982 126.807 122.820 0.009 0.000 2.413 117 A HA 0.954 5.274 4.320 -0.001 0.000 0.307 117 A C -0.001 177.706 177.584 0.205 0.000 1.087 117 A CA -0.356 51.801 52.037 0.200 0.000 0.750 117 A CB 1.599 20.672 19.000 0.121 0.000 1.296 117 A HN 1.243 nan 8.150 nan 0.000 0.423 118 A N 0.477 123.518 122.820 0.369 0.000 2.386 118 A HA 0.476 4.796 4.320 -0.001 0.000 0.248 118 A C 1.185 179.029 177.584 0.432 0.000 1.082 118 A CA 0.143 52.333 52.037 0.256 0.000 0.789 118 A CB 0.124 19.319 19.000 0.326 0.000 1.025 118 A HN 1.010 nan 8.150 nan 0.000 0.490 119 R N 0.756 121.421 120.500 0.275 0.000 2.100 119 R HA 0.016 4.356 4.340 -0.001 0.000 0.220 119 R C 0.690 177.044 176.300 0.089 0.000 1.091 119 R CA 1.122 57.338 56.100 0.193 0.000 0.986 119 R CB -0.025 30.293 30.300 0.029 0.000 0.888 119 R HN 0.617 nan 8.270 nan 0.000 0.444 120 S N 1.213 116.963 115.700 0.084 0.000 2.701 120 S HA 0.307 4.777 4.470 -0.001 0.000 0.317 120 S C -0.660 174.020 174.600 0.133 0.000 1.149 120 S CA -0.363 57.866 58.200 0.047 0.000 1.052 120 S CB -0.308 62.899 63.200 0.012 0.000 1.257 120 S HN 0.179 nan 8.310 nan 0.000 0.532 121 L N 3.267 124.599 121.223 0.182 0.000 2.350 121 L HA 0.594 4.934 4.340 -0.001 0.000 0.260 121 L C -0.202 176.882 176.870 0.357 0.000 1.015 121 L CA -1.286 53.737 54.840 0.306 0.000 0.821 121 L CB 1.138 43.467 42.059 0.450 0.000 1.370 121 L HN 0.397 nan 8.230 nan 0.000 0.416 122 F N 1.234 121.317 119.950 0.222 0.000 2.623 122 F HA 0.039 4.566 4.527 -0.001 0.000 0.386 122 F C 1.451 177.295 175.800 0.074 0.000 1.068 122 F CA 0.888 58.990 58.000 0.170 0.000 1.265 122 F CB 0.965 40.076 39.000 0.186 0.000 1.026 122 F HN 0.629 nan 8.300 nan 0.000 0.568 123 G N 3.194 111.545 108.800 -0.748 0.000 2.649 123 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.220 123 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.220 123 G C 1.683 176.413 174.900 -0.285 0.000 1.189 123 G CA 1.194 45.916 45.100 -0.630 0.000 0.777 123 G HN 0.654 nan 8.290 nan 0.000 0.602 124 S N -0.760 114.694 115.700 -0.410 0.000 2.402 124 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 124 S C 2.423 177.114 174.600 0.152 0.000 1.021 124 S CA 1.127 59.300 58.200 -0.046 0.000 0.974 124 S CB -0.350 62.892 63.200 0.071 0.000 0.800 124 S HN 0.574 nan 8.310 nan 0.000 0.484 125 C N 0.488 119.969 119.300 0.301 0.000 2.440 125 C HA 0.025 4.484 4.460 -0.001 0.000 0.278 125 C C 2.190 177.357 174.990 0.296 0.000 1.295 125 C CA 0.017 59.234 59.018 0.331 0.000 1.738 125 C CB -1.480 26.578 27.740 0.530 0.000 1.987 125 C HN 0.658 nan 8.230 nan 0.000 0.492 126 F N 1.746 121.787 119.950 0.152 0.000 2.134 126 F HA -0.134 4.393 4.527 -0.001 0.000 0.299 126 F C 2.217 178.075 175.800 0.096 0.000 1.097 126 F CA 1.587 59.662 58.000 0.125 0.000 1.264 126 F CB -0.410 38.593 39.000 0.004 0.000 1.001 126 F HN 0.030 nan 8.300 nan 0.000 0.479 127 V N -0.675 119.274 119.914 0.059 0.000 2.358 127 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 127 V C 2.403 178.465 176.094 -0.054 0.000 1.047 127 V CA 1.546 63.820 62.300 -0.043 0.000 1.035 127 V CB -0.809 31.010 31.823 -0.007 0.000 0.658 127 V HN 0.240 nan 8.190 nan 0.000 0.452 128 V N -0.782 119.140 119.914 0.013 0.000 2.287 128 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 128 V C 2.508 178.617 176.094 0.025 0.000 1.053 128 V CA 2.514 64.842 62.300 0.047 0.000 1.027 128 V CB -0.688 31.194 31.823 0.099 0.000 0.646 128 V HN 0.654 nan 8.190 nan 0.000 0.447 129 C N 0.217 119.522 119.300 0.008 0.000 2.457 129 C HA -0.052 4.408 4.460 -0.001 0.000 0.278 129 C C 3.098 178.088 174.990 -0.000 0.000 1.309 129 C CA 1.212 60.234 59.018 0.007 0.000 1.735 129 C CB -0.890 26.912 27.740 0.104 0.000 1.992 129 C HN 0.757 nan 8.230 nan 0.000 0.493 130 S N -0.116 115.544 115.700 -0.068 0.000 2.470 130 S HA 0.090 4.559 4.470 -0.001 0.000 0.222 130 S C 1.278 175.817 174.600 -0.101 0.000 1.024 130 S CA 0.634 58.778 58.200 -0.093 0.000 0.931 130 S CB -0.172 62.703 63.200 -0.541 0.000 0.791 130 S HN 0.730 nan 8.310 nan 0.000 0.513 131 E N 0.561 120.690 120.200 -0.118 0.000 2.520 131 E HA 0.351 4.701 4.350 -0.001 0.000 0.201 131 E C 1.813 178.334 176.600 -0.131 0.000 0.894 131 E CA 0.197 56.531 56.400 -0.111 0.000 1.161 131 E CB -0.010 29.621 29.700 -0.114 0.000 1.137 131 E HN 0.311 nan 8.360 nan 0.000 0.510 132 I N 1.623 122.118 120.570 -0.124 0.000 2.142 132 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 132 I C 2.403 178.468 176.117 -0.086 0.000 1.078 132 I CA 1.285 62.477 61.300 -0.180 0.000 1.343 132 I CB -0.227 37.694 38.000 -0.132 0.000 1.046 132 I HN 0.076 nan 8.210 nan 0.000 0.405 133 L N 0.317 121.596 121.223 0.095 0.000 2.093 133 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 133 L C -0.375 176.564 176.870 0.115 0.000 1.085 133 L CA 1.316 56.280 54.840 0.208 0.000 0.755 133 L CB -1.674 40.489 42.059 0.173 0.000 0.904 133 L HN 0.173 nan 8.230 nan 0.000 0.435 134 P HA -0.163 nan 4.420 nan 0.000 0.220 134 P C 1.383 178.673 177.300 -0.018 0.000 1.148 134 P CA 1.068 64.172 63.100 0.007 0.000 0.803 134 P CB -0.068 31.622 31.700 -0.017 0.000 0.782 135 R N -1.067 119.366 120.500 -0.110 0.000 2.152 135 R HA -0.119 4.220 4.340 -0.001 0.000 0.232 135 R C 0.839 177.057 176.300 -0.137 0.000 1.117 135 R CA 1.129 57.104 56.100 -0.209 0.000 0.981 135 R CB -0.259 29.783 30.300 -0.430 0.000 0.870 135 R HN 0.203 nan 8.270 nan 0.000 0.451 136 W N -0.066 121.250 121.300 0.028 0.000 3.194 136 W HA 0.361 5.021 4.660 -0.001 0.000 0.408 136 W C 0.677 177.208 176.519 0.021 0.000 1.072 136 W CA 0.401 57.765 57.345 0.032 0.000 1.953 136 W CB 0.367 29.863 29.460 0.060 0.000 1.091 136 W HN 0.446 nan 8.180 nan 0.000 0.699 137 G N 0.146 109.053 108.800 0.178 0.000 2.176 137 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.232 137 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.232 137 G C -0.049 174.898 174.900 0.078 0.000 0.986 137 G CA -0.116 45.050 45.100 0.109 0.000 0.643 137 G HN -0.034 nan 8.290 nan 0.000 0.522 138 V N 1.381 121.345 119.914 0.084 0.000 2.614 138 V HA 0.385 4.505 4.120 -0.001 0.000 0.291 138 V C 0.857 176.961 176.094 0.017 0.000 1.049 138 V CA 0.021 62.349 62.300 0.048 0.000 1.038 138 V CB 1.778 33.633 31.823 0.053 0.000 0.980 138 V HN 0.440 nan 8.190 nan 0.000 0.481 139 Q N 2.707 122.508 119.800 0.003 0.000 2.322 139 Q HA 0.324 4.664 4.340 -0.001 0.000 0.256 139 Q C -0.767 175.204 176.000 -0.048 0.000 0.960 139 Q CA -0.246 55.548 55.803 -0.014 0.000 0.934 139 Q CB 1.001 29.736 28.738 -0.005 0.000 1.200 139 Q HN 0.846 nan 8.270 nan 0.000 0.435 140 T N 3.092 117.597 114.554 -0.083 0.000 2.779 140 T HA 0.438 4.788 4.350 -0.001 0.000 0.280 140 T C -0.708 173.859 174.700 -0.221 0.000 0.987 140 T CA -0.466 61.516 62.100 -0.197 0.000 0.966 140 T CB 1.355 70.051 68.868 -0.286 0.000 0.933 140 T HN 0.335 nan 8.240 nan 0.000 0.442 141 V N 4.275 124.035 119.914 -0.257 0.000 2.448 141 V HA 0.530 4.649 4.120 -0.001 0.000 0.295 141 V C -0.736 175.178 176.094 -0.300 0.000 1.025 141 V CA -0.892 61.302 62.300 -0.177 0.000 0.859 141 V CB 1.017 32.797 31.823 -0.072 0.000 0.988 141 V HN 0.761 nan 8.190 nan 0.000 0.431 142 F N 4.049 123.996 119.950 -0.005 0.000 2.397 142 F HA 0.747 5.274 4.527 -0.001 0.000 0.331 142 F C 0.353 176.083 175.800 -0.117 0.000 1.090 142 F CA -0.451 57.537 58.000 -0.020 0.000 1.065 142 F CB 1.898 40.935 39.000 0.061 0.000 1.184 142 F HN 0.410 nan 8.300 nan 0.000 0.499 143 V N -1.689 118.200 119.914 -0.041 0.000 3.130 143 V HA 0.562 4.681 4.120 -0.001 0.000 0.310 143 V C -1.118 174.824 176.094 -0.253 0.000 1.158 143 V CA -1.140 60.998 62.300 -0.269 0.000 1.029 143 V CB 2.037 33.461 31.823 -0.665 0.000 1.057 143 V HN 0.532 nan 8.190 nan 0.000 0.436 144 D N 2.257 122.508 120.400 -0.250 0.000 2.336 144 D HA 0.299 4.939 4.640 -0.001 0.000 0.249 144 D C 1.289 177.439 176.300 -0.250 0.000 1.213 144 D CA 0.768 54.659 54.000 -0.181 0.000 0.870 144 D CB 1.616 42.345 40.800 -0.118 0.000 1.076 144 D HN 0.955 nan 8.370 nan 0.000 0.483 145 G N 2.784 111.504 108.800 -0.135 0.000 2.475 145 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.220 145 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.220 145 G C 0.987 175.998 174.900 0.186 0.000 1.125 145 G CA 0.560 45.693 45.100 0.054 0.000 0.755 145 G HN 0.508 nan 8.290 nan 0.000 0.565 146 D N -0.180 120.252 120.400 0.053 0.000 2.336 146 D HA 0.015 4.654 4.640 -0.001 0.000 0.229 146 D C -0.153 176.178 176.300 0.051 0.000 1.061 146 D CA -0.062 53.970 54.000 0.053 0.000 0.875 146 D CB 0.162 40.971 40.800 0.015 0.000 0.904 146 D HN 0.134 nan 8.370 nan 0.000 0.525 147 D N 0.610 121.034 120.400 0.040 0.000 2.462 147 D HA 0.168 4.808 4.640 -0.001 0.000 0.249 147 D C 1.254 177.621 176.300 0.112 0.000 1.117 147 D CA -0.530 53.484 54.000 0.024 0.000 0.900 147 D CB 0.818 41.588 40.800 -0.051 0.000 1.039 147 D HN -0.031 nan 8.370 nan 0.000 0.516 148 L N 1.940 123.265 121.223 0.171 0.000 2.191 148 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 148 L C 2.367 179.332 176.870 0.159 0.000 1.103 148 L CA 1.169 56.147 54.840 0.231 0.000 0.769 148 L CB -0.240 41.880 42.059 0.103 0.000 0.908 148 L HN 0.360 nan 8.230 nan 0.000 0.438 149 S N -1.086 114.661 115.700 0.079 0.000 2.402 149 S HA -0.209 4.261 4.470 -0.001 0.000 0.229 149 S C 1.844 176.467 174.600 0.037 0.000 1.021 149 S CA 0.737 58.967 58.200 0.050 0.000 0.974 149 S CB -0.196 63.018 63.200 0.023 0.000 0.800 149 S HN 0.482 nan 8.310 nan 0.000 0.484 150 Q N -0.070 119.730 119.800 -0.000 0.000 2.083 150 Q HA -0.032 4.308 4.340 -0.001 0.000 0.198 150 Q C 1.859 177.831 176.000 -0.046 0.000 0.969 150 Q CA 1.544 57.306 55.803 -0.069 0.000 0.838 150 Q CB -0.269 28.366 28.738 -0.171 0.000 0.900 150 Q HN 0.753 nan 8.270 nan 0.000 0.436 151 W N 0.898 122.184 121.300 -0.023 0.000 2.335 151 W HA -0.275 4.385 4.660 -0.001 0.000 0.311 151 W C 2.841 179.348 176.519 -0.019 0.000 1.213 151 W CA 1.554 58.882 57.345 -0.028 0.000 1.274 151 W CB -0.453 28.971 29.460 -0.059 0.000 1.148 151 W HN 0.333 nan 8.180 nan 0.000 0.498 152 E N 0.848 121.173 120.200 0.209 0.000 2.058 152 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 152 E C 1.947 178.596 176.600 0.083 0.000 0.997 152 E CA 2.826 59.296 56.400 0.116 0.000 0.801 152 E CB -1.335 28.411 29.700 0.077 0.000 0.746 152 E HN 0.417 nan 8.360 nan 0.000 0.450 153 R N 0.141 120.677 120.500 0.061 0.000 2.092 153 R HA 0.417 4.757 4.340 -0.001 0.000 0.231 153 R C 2.809 179.132 176.300 0.039 0.000 1.119 153 R CA 2.005 58.128 56.100 0.037 0.000 0.970 153 R CB -1.247 29.063 30.300 0.017 0.000 0.864 153 R HN 0.869 nan 8.270 nan 0.000 0.440 154 A N 0.492 123.339 122.820 0.046 0.000 1.969 154 A HA 0.165 4.484 4.320 -0.001 0.000 0.218 154 A C 2.145 179.774 177.584 0.076 0.000 1.169 154 A CA 1.231 53.296 52.037 0.047 0.000 0.635 154 A CB -0.066 18.952 19.000 0.029 0.000 0.810 154 A HN 0.423 nan 8.150 nan 0.000 0.445 155 L N 0.632 121.919 121.223 0.106 0.000 2.611 155 L HA 0.032 4.372 4.340 -0.001 0.000 0.229 155 L C 2.005 178.914 176.870 0.066 0.000 1.137 155 L CA 0.594 55.494 54.840 0.099 0.000 0.901 155 L CB 0.102 42.237 42.059 0.126 0.000 1.098 155 L HN 0.491 nan 8.230 nan 0.000 0.456 156 S N -0.899 114.833 115.700 0.053 0.000 2.607 156 S HA 0.055 4.525 4.470 -0.001 0.000 0.224 156 S C 0.631 175.250 174.600 0.032 0.000 0.969 156 S CA -0.056 58.167 58.200 0.039 0.000 0.927 156 S CB -0.548 62.671 63.200 0.033 0.000 0.772 156 S HN 0.184 nan 8.310 nan 0.000 0.533 157 V N -3.132 116.802 119.914 0.034 0.000 2.960 157 V HA 0.710 4.830 4.120 -0.001 0.000 0.315 157 V C -3.226 172.886 176.094 0.031 0.000 1.087 157 V CA -3.233 59.084 62.300 0.028 0.000 0.982 157 V CB 0.814 32.651 31.823 0.023 0.000 1.039 157 V HN -0.132 nan 8.190 nan 0.000 0.437 158 P HA 0.333 nan 4.420 nan 0.000 0.264 158 P C -0.434 176.883 177.300 0.029 0.000 1.193 158 P CA 0.638 63.754 63.100 0.027 0.000 0.763 158 P CB 0.320 32.032 31.700 0.020 0.000 0.810 159 T N 2.758 117.333 114.554 0.036 0.000 2.912 159 T HA 0.211 4.561 4.350 -0.001 0.000 0.299 159 T C 0.582 175.304 174.700 0.037 0.000 1.052 159 T CA -0.288 61.836 62.100 0.040 0.000 0.996 159 T CB 2.038 70.942 68.868 0.058 0.000 1.070 159 T HN 0.151 nan 8.240 nan 0.000 0.465 160 Q N 0.847 120.666 119.800 0.032 0.000 2.259 160 Q HA 0.556 4.895 4.340 -0.001 0.000 0.201 160 Q C 0.479 176.497 176.000 0.030 0.000 0.938 160 Q CA 0.524 56.342 55.803 0.025 0.000 0.872 160 Q CB 0.511 29.259 28.738 0.016 0.000 0.971 160 Q HN 0.815 nan 8.270 nan 0.000 0.494 161 A N -0.838 122.007 122.820 0.042 0.000 2.572 161 A HA 0.735 5.055 4.320 -0.001 0.000 0.295 161 A C -1.488 176.155 177.584 0.100 0.000 1.072 161 A CA -0.582 51.488 52.037 0.055 0.000 0.691 161 A CB 1.735 20.758 19.000 0.039 0.000 1.291 161 A HN -0.056 nan 8.150 nan 0.000 0.404 162 V N 1.201 121.191 119.914 0.128 0.000 2.638 162 V HA 0.664 4.784 4.120 -0.001 0.000 0.306 162 V C -1.485 174.759 176.094 0.250 0.000 1.052 162 V CA -0.324 62.108 62.300 0.220 0.000 0.885 162 V CB 1.678 33.615 31.823 0.190 0.000 0.999 162 V HN 0.881 nan 8.190 nan 0.000 0.424 163 F N 7.186 127.244 119.950 0.179 0.000 2.556 163 F HA 0.916 5.442 4.527 -0.001 0.000 0.314 163 F C -1.059 174.925 175.800 0.307 0.000 1.106 163 F CA -1.106 56.951 58.000 0.094 0.000 0.911 163 F CB 1.700 40.750 39.000 0.082 0.000 1.190 163 F HN 0.490 nan 8.300 nan 0.000 0.448 164 F N 1.583 121.129 119.950 -0.674 0.000 2.741 164 F HA 0.652 5.178 4.527 -0.000 0.000 0.311 164 F C -1.861 173.591 175.800 -0.580 0.000 1.149 164 F CA -1.183 56.551 58.000 -0.443 0.000 0.930 164 F CB 1.146 40.147 39.000 0.001 0.000 1.312 164 F HN 0.392 nan 8.300 nan 0.000 0.450 165 E N 0.286 120.452 120.200 -0.057 0.000 2.195 165 E HA 0.615 4.965 4.350 -0.001 0.000 0.271 165 E C -1.313 175.359 176.600 0.120 0.000 0.923 165 E CA -1.169 55.203 56.400 -0.047 0.000 0.790 165 E CB 2.297 31.986 29.700 -0.018 0.000 1.155 165 E HN 0.726 nan 8.360 nan 0.000 0.402 166 T N 2.810 117.415 114.554 0.085 0.000 3.172 166 T HA 0.341 4.691 4.350 -0.001 0.000 0.320 166 T C -2.820 171.915 174.700 0.059 0.000 1.085 166 T CA -1.883 60.265 62.100 0.080 0.000 1.052 166 T CB 1.117 70.061 68.868 0.127 0.000 1.107 166 T HN 0.111 nan 8.240 nan 0.000 0.458 167 P HA 0.254 nan 4.420 nan 0.000 0.272 167 P C -0.406 176.782 177.300 -0.187 0.000 1.230 167 P CA -0.344 62.749 63.100 -0.013 0.000 0.788 167 P CB 0.449 32.188 31.700 0.064 0.000 0.949 168 S N 1.170 116.762 115.700 -0.181 0.000 2.603 168 S HA 0.229 4.699 4.470 -0.001 0.000 0.268 168 S C 0.119 174.414 174.600 -0.508 0.000 1.317 168 S CA -0.528 57.531 58.200 -0.235 0.000 1.012 168 S CB 0.138 63.297 63.200 -0.069 0.000 0.926 168 S HN 0.402 nan 8.310 nan 0.000 0.539 169 N N 2.063 120.536 118.700 -0.379 0.000 2.469 169 N HA 0.437 5.176 4.740 -0.001 0.000 0.253 169 N C -2.031 173.492 175.510 0.021 0.000 0.970 169 N CA -2.330 50.554 53.050 -0.277 0.000 0.940 169 N CB 1.656 40.153 38.487 0.017 0.000 1.128 169 N HN 0.476 nan 8.380 nan 0.000 0.503 170 P HA 0.136 nan 4.420 nan 0.000 0.275 170 P C 0.842 178.165 177.300 0.037 0.000 1.310 170 P CA 0.074 63.191 63.100 0.028 0.000 0.904 170 P CB 0.526 32.252 31.700 0.044 0.000 1.381 171 M N -0.338 119.243 119.600 -0.032 0.000 2.562 171 M HA 0.030 4.509 4.480 -0.001 0.000 0.257 171 M C 0.734 177.061 176.300 0.044 0.000 1.099 171 M CA 0.809 56.116 55.300 0.011 0.000 1.099 171 M CB -1.295 31.275 32.600 -0.051 0.000 1.427 171 M HN 0.114 nan 8.290 nan 0.000 0.489 172 Q N -0.104 119.709 119.800 0.022 0.000 2.475 172 Q HA -0.144 4.196 4.340 -0.001 0.000 0.280 172 Q C 0.111 176.211 176.000 0.166 0.000 1.234 172 Q CA 0.380 56.242 55.803 0.098 0.000 0.873 172 Q CB -2.351 26.543 28.738 0.259 0.000 1.256 172 Q HN 0.367 nan 8.270 nan 0.000 0.475 173 S N 0.116 115.854 115.700 0.064 0.000 2.564 173 S HA 0.465 4.934 4.470 -0.001 0.000 0.278 173 S C 0.300 174.936 174.600 0.060 0.000 1.333 173 S CA -0.407 57.834 58.200 0.069 0.000 1.048 173 S CB 0.480 63.685 63.200 0.008 0.000 0.900 173 S HN 0.315 nan 8.310 nan 0.000 0.505 174 L N 4.070 125.336 121.223 0.072 0.000 2.344 174 L HA 0.671 5.011 4.340 -0.001 0.000 0.272 174 L C -0.701 176.165 176.870 -0.006 0.000 1.035 174 L CA -1.054 53.798 54.840 0.020 0.000 0.807 174 L CB 1.667 43.721 42.059 -0.008 0.000 1.237 174 L HN 0.305 nan 8.230 nan 0.000 0.442 175 V N 0.367 120.245 119.914 -0.060 0.000 2.540 175 V HA 0.170 4.289 4.120 -0.001 0.000 0.302 175 V C -0.418 175.542 176.094 -0.224 0.000 1.035 175 V CA -0.654 61.530 62.300 -0.193 0.000 0.873 175 V CB 1.913 33.435 31.823 -0.502 0.000 0.992 175 V HN 0.655 nan 8.190 nan 0.000 0.428 176 D N 4.016 124.282 120.400 -0.223 0.000 2.348 176 D HA 0.172 4.811 4.640 -0.001 0.000 0.259 176 D C 1.082 177.221 176.300 -0.267 0.000 1.296 176 D CA 0.271 54.155 54.000 -0.193 0.000 0.931 176 D CB 0.782 41.493 40.800 -0.148 0.000 1.067 176 D HN 0.479 nan 8.370 nan 0.000 0.503 177 I N 3.066 123.534 120.570 -0.170 0.000 2.142 177 I HA -0.292 3.877 4.170 -0.001 0.000 0.240 177 I C 2.400 178.430 176.117 -0.144 0.000 1.078 177 I CA 1.182 62.417 61.300 -0.108 0.000 1.343 177 I CB -0.156 37.841 38.000 -0.005 0.000 1.046 177 I HN 0.429 nan 8.210 nan 0.000 0.405 178 A N 0.610 123.355 122.820 -0.124 0.000 1.933 178 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 178 A C 2.498 179.990 177.584 -0.155 0.000 1.175 178 A CA 1.891 53.857 52.037 -0.118 0.000 0.628 178 A CB -0.769 18.181 19.000 -0.082 0.000 0.814 178 A HN 0.455 nan 8.150 nan 0.000 0.444 179 A N -0.704 122.010 122.820 -0.177 0.000 1.897 179 A HA 0.082 4.402 4.320 -0.001 0.000 0.215 179 A C 2.197 179.619 177.584 -0.271 0.000 1.181 179 A CA 1.565 53.490 52.037 -0.186 0.000 0.620 179 A CB -0.808 18.098 19.000 -0.157 0.000 0.821 179 A HN 0.356 nan 8.150 nan 0.000 0.443 180 V N -0.241 119.417 119.914 -0.428 0.000 2.358 180 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 180 V C 2.712 178.554 176.094 -0.420 0.000 1.047 180 V CA 2.413 64.336 62.300 -0.629 0.000 1.035 180 V CB -1.233 29.889 31.823 -1.169 0.000 0.658 180 V HN 0.579 nan 8.190 nan 0.000 0.452 181 T N -0.669 113.680 114.554 -0.342 0.000 2.720 181 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 181 T C 1.882 176.314 174.700 -0.447 0.000 1.037 181 T CA 1.869 63.725 62.100 -0.406 0.000 1.144 181 T CB -0.196 68.467 68.868 -0.342 0.000 0.864 181 T HN 0.583 nan 8.240 nan 0.000 0.444 182 E N 0.320 120.363 120.200 -0.262 0.000 2.051 182 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 182 E C 2.168 178.707 176.600 -0.101 0.000 0.991 182 E CA 0.846 57.158 56.400 -0.146 0.000 0.799 182 E CB -0.138 29.506 29.700 -0.094 0.000 0.748 182 E HN 0.433 nan 8.360 nan 0.000 0.449 183 L N 0.118 121.269 121.223 -0.119 0.000 2.093 183 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 183 L C 2.592 179.442 176.870 -0.033 0.000 1.085 183 L CA 0.973 55.778 54.840 -0.059 0.000 0.755 183 L CB -0.383 41.644 42.059 -0.053 0.000 0.904 183 L HN 0.171 nan 8.230 nan 0.000 0.435 184 A N -0.706 122.059 122.820 -0.092 0.000 1.898 184 A HA -0.224 4.096 4.320 -0.001 0.000 0.216 184 A C 2.015 179.645 177.584 0.076 0.000 1.181 184 A CA 1.482 53.503 52.037 -0.026 0.000 0.620 184 A CB -0.896 18.055 19.000 -0.082 0.000 0.819 184 A HN 0.489 nan 8.150 nan 0.000 0.442 185 H N -0.930 118.126 119.070 -0.024 0.000 2.423 185 H HA 0.037 4.592 4.556 -0.001 0.000 0.297 185 H C 2.449 177.771 175.328 -0.010 0.000 1.075 185 H CA 0.508 56.545 56.048 -0.019 0.000 1.342 185 H CB 0.060 29.808 29.762 -0.023 0.000 1.395 185 H HN 0.570 nan 8.280 nan 0.000 0.530 186 A N 1.052 123.939 122.820 0.111 0.000 2.019 186 A HA -0.061 4.259 4.320 -0.001 0.000 0.219 186 A C 2.350 179.964 177.584 0.051 0.000 1.164 186 A CA 1.308 53.382 52.037 0.061 0.000 0.644 186 A CB -0.482 18.541 19.000 0.039 0.000 0.805 186 A HN 0.449 nan 8.150 nan 0.000 0.449 187 A N -1.985 120.870 122.820 0.058 0.000 2.251 187 A HA 0.427 4.747 4.320 -0.001 0.000 0.209 187 A C 1.723 179.336 177.584 0.048 0.000 1.187 187 A CA 1.121 53.189 52.037 0.051 0.000 0.823 187 A CB -0.797 18.238 19.000 0.057 0.000 0.846 187 A HN 1.840 nan 8.150 nan 0.000 0.486 188 G N -1.955 106.877 108.800 0.055 0.000 2.143 188 G HA2 0.091 4.050 3.960 -0.001 0.000 0.249 188 G HA3 0.091 4.050 3.960 -0.001 0.000 0.249 188 G C 0.379 175.305 174.900 0.042 0.000 0.981 188 G CA 0.363 45.485 45.100 0.035 0.000 0.665 188 G HN 1.540 nan 8.290 nan 0.000 0.528 189 A N -0.285 122.582 122.820 0.080 0.000 2.279 189 A HA 0.761 5.081 4.320 -0.001 0.000 0.303 189 A C 0.346 177.992 177.584 0.104 0.000 1.108 189 A CA -0.369 51.714 52.037 0.077 0.000 0.830 189 A CB 0.786 19.835 19.000 0.080 0.000 1.106 189 A HN 0.166 nan 8.150 nan 0.000 0.493 190 K N 0.962 121.391 120.400 0.047 0.000 2.159 190 K HA 0.464 4.783 4.320 -0.001 0.000 0.266 190 K C -1.044 175.560 176.600 0.008 0.000 0.975 190 K CA -0.481 55.819 56.287 0.021 0.000 0.865 190 K CB 1.745 34.194 32.500 -0.086 0.000 1.087 190 K HN 0.349 nan 8.250 nan 0.000 0.446 191 V N 3.330 123.241 119.914 -0.005 0.000 2.383 191 V HA 0.187 4.307 4.120 -0.001 0.000 0.275 191 V C -0.053 175.942 176.094 -0.164 0.000 1.036 191 V CA -0.869 61.381 62.300 -0.084 0.000 0.889 191 V CB 1.480 33.226 31.823 -0.129 0.000 0.985 191 V HN 0.373 nan 8.190 nan 0.000 0.459 192 V N 6.776 126.596 119.914 -0.157 0.000 2.347 192 V HA 0.407 4.526 4.120 -0.001 0.000 0.280 192 V C -0.244 175.594 176.094 -0.427 0.000 1.021 192 V CA -0.518 61.691 62.300 -0.152 0.000 0.847 192 V CB 1.422 33.320 31.823 0.124 0.000 0.990 192 V HN 0.677 nan 8.190 nan 0.000 0.444 193 L N 4.569 125.484 121.223 -0.514 0.000 2.287 193 L HA 0.608 4.948 4.340 -0.001 0.000 0.287 193 L C -0.174 176.421 176.870 -0.459 0.000 1.022 193 L CA 0.019 54.441 54.840 -0.697 0.000 0.814 193 L CB 1.459 43.138 42.059 -0.633 0.000 1.217 193 L HN 0.659 nan 8.230 nan 0.000 0.420 194 D N 3.216 123.339 120.400 -0.463 0.000 2.336 194 D HA 0.077 4.716 4.640 -0.001 0.000 0.249 194 D C -0.236 175.942 176.300 -0.204 0.000 1.213 194 D CA 0.180 54.039 54.000 -0.234 0.000 0.870 194 D CB 0.733 41.477 40.800 -0.094 0.000 1.076 194 D HN 0.636 nan 8.370 nan 0.000 0.483 195 N N 3.225 121.776 118.700 -0.248 0.000 2.328 195 N HA 0.058 4.798 4.740 -0.001 0.000 0.247 195 N C 1.162 176.769 175.510 0.163 0.000 1.165 195 N CA -0.205 52.778 53.050 -0.110 0.000 0.873 195 N CB 0.420 38.777 38.487 -0.217 0.000 1.125 195 N HN 0.173 nan 8.380 nan 0.000 0.513 196 V N 0.032 120.064 119.914 0.197 0.000 2.295 196 V HA -0.194 3.925 4.120 -0.001 0.000 0.246 196 V C 1.725 178.024 176.094 0.342 0.000 1.049 196 V CA 1.464 63.955 62.300 0.319 0.000 1.024 196 V CB -0.695 31.273 31.823 0.243 0.000 0.648 196 V HN 0.314 nan 8.190 nan 0.000 0.447 197 F N 0.640 120.666 119.950 0.125 0.000 2.171 197 F HA -0.086 4.441 4.527 -0.000 0.000 0.300 197 F C 2.264 178.093 175.800 0.048 0.000 1.090 197 F CA 1.300 59.377 58.000 0.128 0.000 1.293 197 F CB -0.495 38.565 39.000 0.101 0.000 1.013 197 F HN 0.092 nan 8.300 nan 0.000 0.486 198 A N -0.989 121.938 122.820 0.179 0.000 1.943 198 A HA 0.172 4.492 4.320 -0.001 0.000 0.213 198 A C 0.866 178.420 177.584 -0.050 0.000 1.181 198 A CA 1.117 53.179 52.037 0.042 0.000 0.653 198 A CB -0.989 18.046 19.000 0.059 0.000 0.833 198 A HN 0.489 nan 8.150 nan 0.000 0.451 199 T N -4.910 109.659 114.554 0.024 0.000 0.541 199 T HA -0.107 4.243 4.350 -0.001 0.000 0.774 199 T C -1.940 172.785 174.700 0.041 0.000 0.992 199 T CA 0.366 62.458 62.100 -0.014 0.000 4.077 199 T CB -1.773 66.952 68.868 -0.238 0.000 2.303 199 T HN 0.103 nan 8.240 nan 0.000 0.398 200 P HA 0.137 nan 4.420 nan 0.000 0.225 200 P C 1.730 179.028 177.300 -0.002 0.000 1.148 200 P CA 0.471 63.591 63.100 0.034 0.000 0.779 200 P CB -0.058 31.608 31.700 -0.057 0.000 0.780 201 L N -1.875 119.321 121.223 -0.045 0.000 2.240 201 L HA -0.016 4.323 4.340 -0.001 0.000 0.211 201 L C 2.027 178.869 176.870 -0.046 0.000 1.106 201 L CA 1.604 56.416 54.840 -0.048 0.000 0.793 201 L CB -0.720 41.299 42.059 -0.066 0.000 0.927 201 L HN -0.043 nan 8.230 nan 0.000 0.446 202 L N -2.256 118.936 121.223 -0.052 0.000 2.701 202 L HA 0.265 4.605 4.340 -0.001 0.000 0.238 202 L C 0.416 177.264 176.870 -0.038 0.000 1.106 202 L CA -0.042 54.757 54.840 -0.068 0.000 0.898 202 L CB 0.470 42.462 42.059 -0.112 0.000 1.188 202 L HN 0.157 nan 8.230 nan 0.000 0.508 203 Q N 0.953 120.750 119.800 -0.005 0.000 2.281 203 Q HA 0.333 4.673 4.340 -0.001 0.000 0.263 203 Q C -1.524 174.494 176.000 0.030 0.000 0.989 203 Q CA -0.344 55.464 55.803 0.008 0.000 0.852 203 Q CB 1.965 30.707 28.738 0.007 0.000 1.337 203 Q HN 0.109 nan 8.270 nan 0.000 0.418 204 Q N 2.234 122.048 119.800 0.024 0.000 2.363 204 Q HA 0.364 4.704 4.340 -0.001 0.000 0.265 204 Q C 0.473 176.478 176.000 0.008 0.000 1.032 204 Q CA -0.252 55.578 55.803 0.046 0.000 0.746 204 Q CB 1.791 30.572 28.738 0.072 0.000 1.237 204 Q HN 0.942 nan 8.270 nan 0.000 0.475 205 G N 1.355 110.113 108.800 -0.069 0.000 2.494 205 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.216 205 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.216 205 G C 0.738 175.531 174.900 -0.178 0.000 1.140 205 G CA 0.174 45.168 45.100 -0.176 0.000 0.801 205 G HN 0.486 nan 8.290 nan 0.000 0.536 206 F N 1.758 121.703 119.950 -0.009 0.000 2.134 206 F HA 0.064 4.591 4.527 -0.001 0.000 0.299 206 F C 0.255 176.054 175.800 -0.001 0.000 1.097 206 F CA 0.943 58.941 58.000 -0.004 0.000 1.264 206 F CB -1.278 37.724 39.000 0.004 0.000 1.001 206 F HN 0.129 nan 8.300 nan 0.000 0.479 207 P HA -0.115 nan 4.420 nan 0.000 0.225 207 P C 1.137 178.466 177.300 0.047 0.000 1.148 207 P CA 1.305 64.458 63.100 0.088 0.000 0.779 207 P CB -0.076 31.662 31.700 0.064 0.000 0.780 208 L N -2.728 118.508 121.223 0.021 0.000 2.628 208 L HA 0.341 4.681 4.340 -0.001 0.000 0.229 208 L C 1.490 178.346 176.870 -0.024 0.000 1.137 208 L CA 0.509 55.341 54.840 -0.013 0.000 0.909 208 L CB -0.617 41.420 42.059 -0.037 0.000 1.137 208 L HN 0.105 nan 8.230 nan 0.000 0.470 209 G N -0.506 108.304 108.800 0.018 0.000 2.195 209 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.224 209 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.224 209 G C 0.357 175.281 174.900 0.041 0.000 0.990 209 G CA -0.089 45.042 45.100 0.053 0.000 0.639 209 G HN 0.047 nan 8.290 nan 0.000 0.514 210 V N 1.811 121.677 119.914 -0.081 0.000 2.814 210 V HA 0.104 4.224 4.120 -0.001 0.000 0.307 210 V C 1.393 177.429 176.094 -0.097 0.000 1.089 210 V CA 1.286 63.475 62.300 -0.184 0.000 1.212 210 V CB 0.996 32.586 31.823 -0.389 0.000 0.912 210 V HN 0.385 nan 8.190 nan 0.000 0.497 211 D N 2.030 122.389 120.400 -0.068 0.000 2.277 211 D HA 0.101 4.741 4.640 -0.001 0.000 0.209 211 D C 0.025 176.329 176.300 0.006 0.000 0.970 211 D CA 1.001 55.006 54.000 0.008 0.000 0.874 211 D CB 0.898 41.672 40.800 -0.043 0.000 0.982 211 D HN 0.368 nan 8.370 nan 0.000 0.504 212 V N 1.530 121.358 119.914 -0.144 0.000 2.733 212 V HA 0.293 4.413 4.120 -0.001 0.000 0.306 212 V C -0.352 175.618 176.094 -0.207 0.000 1.084 212 V CA -0.837 61.422 62.300 -0.069 0.000 0.905 212 V CB 2.820 34.591 31.823 -0.087 0.000 1.010 212 V HN -0.248 nan 8.190 nan 0.000 0.424 213 V N 4.797 124.631 119.914 -0.134 0.000 2.495 213 V HA 0.684 4.804 4.120 -0.001 0.000 0.298 213 V C -0.232 175.772 176.094 -0.150 0.000 1.031 213 V CA -0.683 61.459 62.300 -0.263 0.000 0.871 213 V CB 2.048 33.653 31.823 -0.363 0.000 0.988 213 V HN 0.789 nan 8.190 nan 0.000 0.432 214 V N 2.308 122.084 119.914 -0.230 0.000 2.628 214 V HA 0.761 4.881 4.120 -0.001 0.000 0.306 214 V C -1.393 174.529 176.094 -0.287 0.000 1.045 214 V CA -0.675 61.562 62.300 -0.105 0.000 0.905 214 V CB 1.644 33.509 31.823 0.070 0.000 0.997 214 V HN 0.655 nan 8.190 nan 0.000 0.436 215 Y N 1.423 121.808 120.300 0.141 0.000 2.536 215 Y HA 0.691 5.241 4.550 -0.000 0.000 0.347 215 Y C 0.503 176.487 175.900 0.141 0.000 1.000 215 Y CA -0.692 57.489 58.100 0.134 0.000 1.051 215 Y CB 2.397 40.943 38.460 0.142 0.000 1.259 215 Y HN 0.821 nan 8.280 nan 0.000 0.468 216 S N 0.612 116.500 115.700 0.314 0.000 2.438 216 S HA 0.375 4.844 4.470 -0.001 0.000 0.293 216 S C 1.078 175.798 174.600 0.201 0.000 1.141 216 S CA -0.013 58.310 58.200 0.206 0.000 1.080 216 S CB 0.437 63.705 63.200 0.113 0.000 0.978 216 S HN 0.979 nan 8.310 nan 0.000 0.479 217 G N 3.952 112.856 108.800 0.174 0.000 2.471 217 G HA2 0.004 3.964 3.960 -0.001 0.000 0.219 217 G HA3 0.004 3.964 3.960 -0.001 0.000 0.219 217 G C 0.728 175.664 174.900 0.060 0.000 1.125 217 G CA 0.466 45.640 45.100 0.123 0.000 0.775 217 G HN 0.676 nan 8.290 nan 0.000 0.548 221 I N 1.504 122.133 120.570 0.099 0.000 2.118 221 I HA -0.282 3.887 4.170 -0.001 0.000 0.241 221 I C 2.463 178.591 176.117 0.019 0.000 1.070 221 I CA 2.170 63.500 61.300 0.050 0.000 1.327 221 I CB -0.068 37.980 38.000 0.080 0.000 1.034 221 I HN 0.379 nan 8.210 nan 0.000 0.405 222 D N 0.466 120.867 120.400 0.001 0.000 2.084 222 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 222 D C 1.852 178.127 176.300 -0.040 0.000 0.990 222 D CA 1.992 55.970 54.000 -0.037 0.000 0.826 222 D CB -0.099 40.680 40.800 -0.035 0.000 0.971 222 D HN 0.465 nan 8.370 nan 0.000 0.453 223 G N 0.237 109.019 108.800 -0.031 0.000 2.245 223 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.264 223 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.264 223 G C 0.868 175.741 174.900 -0.044 0.000 0.985 223 G CA 0.719 45.799 45.100 -0.034 0.000 0.625 223 G HN 0.531 nan 8.290 nan 0.000 0.536 224 Q N -0.942 118.833 119.800 -0.042 0.000 2.057 224 Q HA 0.449 4.789 4.340 -0.001 0.000 0.216 224 Q C 1.311 177.298 176.000 -0.022 0.000 0.788 224 Q CA 0.191 55.973 55.803 -0.034 0.000 1.053 224 Q CB 1.204 29.921 28.738 -0.036 0.000 1.210 224 Q HN 1.461 nan 8.270 nan 0.000 0.455 225 G N 1.863 110.649 108.800 -0.023 0.000 2.249 225 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.273 225 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.273 225 G C 0.680 175.586 174.900 0.010 0.000 1.036 225 G CA 0.893 45.989 45.100 -0.007 0.000 0.824 225 G HN 0.342 nan 8.290 nan 0.000 0.504 226 R N -1.117 119.390 120.500 0.012 0.000 2.074 226 R HA 0.428 4.768 4.340 -0.001 0.000 0.218 226 R C 1.487 177.823 176.300 0.059 0.000 1.137 226 R CA 1.473 57.596 56.100 0.039 0.000 0.998 226 R CB 0.170 30.494 30.300 0.040 0.000 0.895 226 R HN 0.890 nan 8.270 nan 0.000 0.442 227 V N -1.712 118.229 119.914 0.043 0.000 3.141 227 V HA 0.531 4.650 4.120 -0.001 0.000 0.312 227 V C -0.777 175.338 176.094 0.035 0.000 1.157 227 V CA -1.317 61.018 62.300 0.058 0.000 1.041 227 V CB 1.897 33.767 31.823 0.077 0.000 1.071 227 V HN -0.051 nan 8.190 nan 0.000 0.441 228 L N 1.521 122.770 121.223 0.044 0.000 2.344 228 L HA 1.001 5.341 4.340 -0.001 0.000 0.272 228 L C 0.597 177.480 176.870 0.022 0.000 1.035 228 L CA 0.407 55.271 54.840 0.041 0.000 0.807 228 L CB 1.677 43.772 42.059 0.059 0.000 1.237 228 L HN 1.226 nan 8.230 nan 0.000 0.442 229 G N 0.143 108.960 108.800 0.029 0.000 2.489 229 G HA2 0.581 4.541 3.960 -0.001 0.000 0.291 229 G HA3 0.581 4.541 3.960 -0.001 0.000 0.291 229 G C -1.518 173.433 174.900 0.085 0.000 1.487 229 G CA -0.024 45.084 45.100 0.013 0.000 0.795 229 G HN 0.851 nan 8.290 nan 0.000 0.513 230 G N -1.467 107.412 108.800 0.132 0.000 2.727 230 G HA2 1.065 5.025 3.960 -0.001 0.000 0.289 230 G HA3 1.065 5.025 3.960 -0.001 0.000 0.289 230 G C -1.012 174.078 174.900 0.316 0.000 1.418 230 G CA 0.206 45.438 45.100 0.221 0.000 0.818 230 G HN 1.973 nan 8.290 nan 0.000 0.486 231 A N -0.603 122.423 122.820 0.344 0.000 2.574 231 A HA 0.763 5.083 4.320 -0.001 0.000 0.297 231 A C -1.333 176.429 177.584 0.296 0.000 1.062 231 A CA -0.527 51.729 52.037 0.365 0.000 0.686 231 A CB 1.229 20.476 19.000 0.412 0.000 1.285 231 A HN 0.729 nan 8.150 nan 0.000 0.403 232 I N 1.782 122.520 120.570 0.281 0.000 2.406 232 I HA 0.463 4.633 4.170 -0.001 0.000 0.290 232 I C -1.023 175.260 176.117 0.277 0.000 0.999 232 I CA -0.389 61.060 61.300 0.249 0.000 1.124 232 I CB 1.597 39.718 38.000 0.202 0.000 1.289 232 I HN 0.478 nan 8.210 nan 0.000 0.441 233 L N 5.955 127.353 121.223 0.292 0.000 2.362 233 L HA 0.949 5.288 4.340 -0.001 0.000 0.275 233 L C 0.377 177.504 176.870 0.429 0.000 0.998 233 L CA -0.163 54.874 54.840 0.328 0.000 0.820 233 L CB 1.899 44.183 42.059 0.375 0.000 1.270 233 L HN 0.834 nan 8.230 nan 0.000 0.415 234 G N 1.065 110.067 108.800 0.337 0.000 2.393 234 G HA2 0.155 4.115 3.960 -0.001 0.000 0.264 234 G HA3 0.155 4.115 3.960 -0.001 0.000 0.264 234 G C -1.834 173.177 174.900 0.184 0.000 1.221 234 G CA -0.656 44.645 45.100 0.336 0.000 0.912 234 G HN 0.349 nan 8.290 nan 0.000 0.483 235 D N 0.702 121.224 120.400 0.204 0.000 2.399 235 D HA 0.497 5.137 4.640 -0.001 0.000 0.241 235 D C 1.859 178.243 176.300 0.141 0.000 1.133 235 D CA 0.563 54.639 54.000 0.126 0.000 0.890 235 D CB 1.383 42.252 40.800 0.115 0.000 1.201 235 D HN 0.690 nan 8.370 nan 0.000 0.432 236 R N 2.353 122.895 120.500 0.069 0.000 2.091 236 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 236 R C 2.136 178.478 176.300 0.070 0.000 1.136 236 R CA 2.504 58.638 56.100 0.056 0.000 0.959 236 R CB -1.856 28.456 30.300 0.020 0.000 0.856 236 R HN 0.708 nan 8.270 nan 0.000 0.437 237 E N -0.287 119.958 120.200 0.075 0.000 2.058 237 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 237 E C 1.908 178.577 176.600 0.114 0.000 0.997 237 E CA 1.491 57.936 56.400 0.075 0.000 0.801 237 E CB -0.931 28.807 29.700 0.064 0.000 0.746 237 E HN 0.889 nan 8.360 nan 0.000 0.450 238 Y N 0.796 121.108 120.300 0.019 0.000 2.163 238 Y HA -0.077 4.473 4.550 -0.001 0.000 0.288 238 Y C 2.243 178.163 175.900 0.034 0.000 1.136 238 Y CA 1.705 59.817 58.100 0.021 0.000 1.147 238 Y CB -0.071 38.408 38.460 0.031 0.000 0.987 238 Y HN 0.184 nan 8.280 nan 0.000 0.509 239 I N 0.655 121.221 120.570 -0.007 0.000 2.179 239 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 239 I C 1.598 177.720 176.117 0.008 0.000 1.088 239 I CA 1.664 62.935 61.300 -0.048 0.000 1.357 239 I CB -1.245 36.832 38.000 0.128 0.000 1.051 239 I HN 0.285 nan 8.210 nan 0.000 0.409 240 D N 0.367 120.790 120.400 0.037 0.000 2.347 240 D HA 0.003 4.642 4.640 -0.001 0.000 0.215 240 D C 1.803 178.098 176.300 -0.009 0.000 0.976 240 D CA 0.799 54.823 54.000 0.041 0.000 0.884 240 D CB 0.121 40.940 40.800 0.031 0.000 0.915 240 D HN 0.359 nan 8.370 nan 0.000 0.526 241 G N 1.379 110.154 108.800 -0.042 0.000 2.756 241 G HA2 0.015 3.975 3.960 -0.001 0.000 0.203 241 G HA3 0.015 3.975 3.960 -0.001 0.000 0.203 241 G C -1.169 173.670 174.900 -0.101 0.000 2.015 241 G CA -0.037 45.032 45.100 -0.052 0.000 0.835 241 G HN 0.052 nan 8.290 nan 0.000 0.648 242 P HA -0.020 nan 4.420 nan 0.000 0.217 242 P C 2.074 179.227 177.300 -0.244 0.000 1.150 242 P CA 0.857 63.872 63.100 -0.142 0.000 0.832 242 P CB -0.072 31.579 31.700 -0.083 0.000 0.787 243 V N 0.893 120.569 119.914 -0.397 0.000 2.261 243 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 243 V C 3.036 178.863 176.094 -0.445 0.000 1.047 243 V CA 2.114 64.133 62.300 -0.469 0.000 1.015 243 V CB -1.403 30.050 31.823 -0.618 0.000 0.642 243 V HN 0.159 nan 8.190 nan 0.000 0.446 244 Q N -0.053 119.546 119.800 -0.336 0.000 2.135 244 Q HA -0.294 4.046 4.340 -0.001 0.000 0.204 244 Q C 2.398 178.248 176.000 -0.250 0.000 0.981 244 Q CA 2.116 57.757 55.803 -0.270 0.000 0.856 244 Q CB -0.141 28.598 28.738 0.001 0.000 0.902 244 Q HN 0.601 nan 8.270 nan 0.000 0.425 245 K N 0.162 120.457 120.400 -0.175 0.000 2.009 245 K HA -0.164 4.155 4.320 -0.001 0.000 0.210 245 K C 2.145 178.703 176.600 -0.071 0.000 1.049 245 K CA 1.368 57.608 56.287 -0.078 0.000 0.929 245 K CB -0.155 32.329 32.500 -0.026 0.000 0.714 245 K HN 0.273 nan 8.250 nan 0.000 0.440 246 L N 0.425 121.566 121.223 -0.137 0.000 2.083 246 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 246 L C 2.670 179.458 176.870 -0.137 0.000 1.083 246 L CA 0.744 55.513 54.840 -0.117 0.000 0.752 246 L CB -0.326 41.639 42.059 -0.158 0.000 0.899 246 L HN 0.308 nan 8.230 nan 0.000 0.433 247 M N -0.571 118.870 119.600 -0.266 0.000 2.086 247 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 247 M C 2.383 178.617 176.300 -0.110 0.000 1.067 247 M CA 1.655 56.800 55.300 -0.260 0.000 1.116 247 M CB -1.185 31.016 32.600 -0.664 0.000 1.348 247 M HN 0.209 nan 8.290 nan 0.000 0.407 248 R N -0.663 119.707 120.500 -0.216 0.000 2.081 248 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 248 R C 1.992 178.105 176.300 -0.311 0.000 1.131 248 R CA 1.517 57.429 56.100 -0.314 0.000 0.960 248 R CB -0.086 29.707 30.300 -0.846 0.000 0.856 248 R HN 0.462 nan 8.270 nan 0.000 0.436 249 H N -1.491 117.568 119.070 -0.019 0.000 2.553 249 H HA 0.066 4.622 4.556 -0.000 0.000 0.276 249 H C 1.748 177.088 175.328 0.020 0.000 0.979 249 H CA 1.531 57.577 56.048 -0.003 0.000 1.268 249 H CB 0.538 30.276 29.762 -0.041 0.000 1.450 249 H HN 0.403 nan 8.280 nan 0.000 0.527 250 T N -2.827 111.785 114.554 0.096 0.000 3.022 250 T HA 0.223 4.572 4.350 -0.001 0.000 0.250 250 T C 1.591 176.348 174.700 0.095 0.000 1.060 250 T CA 0.516 62.668 62.100 0.087 0.000 1.013 250 T CB 0.056 68.972 68.868 0.080 0.000 0.982 250 T HN 0.413 nan 8.240 nan 0.000 0.508 251 G N 3.626 112.482 108.800 0.093 0.000 2.295 251 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.287 251 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.287 251 G C -1.598 173.371 174.900 0.116 0.000 1.055 251 G CA -0.117 45.055 45.100 0.121 0.000 0.922 251 G HN 0.643 nan 8.290 nan 0.000 0.503 252 P HA 0.547 nan 4.420 nan 0.000 0.214 252 P C 0.368 177.744 177.300 0.125 0.000 1.826 252 P CA 0.396 63.564 63.100 0.112 0.000 0.977 252 P CB 0.306 32.079 31.700 0.120 0.000 1.930 253 A N 2.861 125.759 122.820 0.130 0.000 2.363 253 A HA 0.432 4.752 4.320 -0.001 0.000 0.270 253 A C 0.388 178.045 177.584 0.120 0.000 1.121 253 A CA -0.659 51.467 52.037 0.147 0.000 0.800 253 A CB 0.146 19.231 19.000 0.141 0.000 1.052 253 A HN 0.446 nan 8.150 nan 0.000 0.493 254 M N 3.159 122.836 119.600 0.128 0.000 2.219 254 M HA 0.184 4.663 4.480 -0.001 0.000 0.353 254 M C 0.636 176.976 176.300 0.067 0.000 1.304 254 M CA 0.140 55.489 55.300 0.081 0.000 1.115 254 M CB 0.506 33.139 32.600 0.055 0.000 1.664 254 M HN 0.799 nan 8.290 nan 0.000 0.459 255 S N 3.559 119.296 115.700 0.063 0.000 2.562 255 S HA 0.309 4.778 4.470 -0.001 0.000 0.281 255 S C 1.110 175.757 174.600 0.079 0.000 1.333 255 S CA 0.160 58.406 58.200 0.077 0.000 1.052 255 S CB 1.056 64.323 63.200 0.112 0.000 0.884 255 S HN 0.843 nan 8.310 nan 0.000 0.506 256 A N 4.999 127.867 122.820 0.080 0.000 1.933 256 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 256 A C 1.767 179.426 177.584 0.125 0.000 1.175 256 A CA 1.543 53.631 52.037 0.085 0.000 0.628 256 A CB -0.925 18.116 19.000 0.068 0.000 0.814 256 A HN 0.970 nan 8.150 nan 0.000 0.444 257 F N 1.593 121.559 119.950 0.027 0.000 2.102 257 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 257 F C 1.922 177.808 175.800 0.144 0.000 1.105 257 F CA 2.210 60.253 58.000 0.071 0.000 1.239 257 F CB -0.335 38.680 39.000 0.024 0.000 0.991 257 F HN 0.251 nan 8.300 nan 0.000 0.474 258 N N 0.718 119.496 118.700 0.131 0.000 2.120 258 N HA -0.141 4.599 4.740 -0.001 0.000 0.188 258 N C 1.987 177.400 175.510 -0.162 0.000 1.024 258 N CA 1.495 54.535 53.050 -0.017 0.000 0.852 258 N CB -0.907 37.597 38.487 0.028 0.000 1.003 258 N HN 0.407 nan 8.380 nan 0.000 0.424 259 A N 0.048 122.792 122.820 -0.127 0.000 1.917 259 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 259 A C 2.145 179.685 177.584 -0.073 0.000 1.182 259 A CA 1.590 53.520 52.037 -0.179 0.000 0.633 259 A CB -1.274 17.710 19.000 -0.028 0.000 0.819 259 A HN 0.590 nan 8.150 nan 0.000 0.448 260 W N 0.739 121.911 121.300 -0.212 0.000 2.333 260 W HA -0.208 4.451 4.660 -0.001 0.000 0.316 260 W C 1.987 178.354 176.519 -0.253 0.000 1.215 260 W CA 2.530 59.744 57.345 -0.218 0.000 1.278 260 W CB -0.600 28.698 29.460 -0.270 0.000 1.154 260 W HN 0.102 nan 8.180 nan 0.000 0.486 261 V N 1.551 121.208 119.914 -0.429 0.000 2.282 261 V HA -0.357 3.762 4.120 -0.001 0.000 0.249 261 V C 2.329 178.185 176.094 -0.397 0.000 1.057 261 V CA 2.283 64.240 62.300 -0.572 0.000 1.032 261 V CB -1.119 30.486 31.823 -0.363 0.000 0.645 261 V HN 0.306 nan 8.190 nan 0.000 0.447 262 L N -0.375 120.679 121.223 -0.282 0.000 2.179 262 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 262 L C 2.360 179.236 176.870 0.010 0.000 1.096 262 L CA 1.023 55.763 54.840 -0.167 0.000 0.779 262 L CB -0.583 41.272 42.059 -0.340 0.000 0.922 262 L HN 0.433 nan 8.230 nan 0.000 0.443 263 L N -2.387 118.851 121.223 0.026 0.000 2.156 263 L HA -0.020 4.320 4.340 -0.001 0.000 0.208 263 L C 2.305 179.131 176.870 -0.073 0.000 1.095 263 L CA 1.482 56.385 54.840 0.106 0.000 0.770 263 L CB -0.732 41.409 42.059 0.138 0.000 0.914 263 L HN -0.089 nan 8.230 nan 0.000 0.439 264 K N 1.161 121.415 120.400 -0.243 0.000 2.103 264 K HA 0.123 4.442 4.320 -0.001 0.000 0.204 264 K C 2.199 178.680 176.600 -0.199 0.000 1.052 264 K CA 1.209 57.321 56.287 -0.291 0.000 0.945 264 K CB -1.031 31.140 32.500 -0.549 0.000 0.722 264 K HN 0.519 nan 8.250 nan 0.000 0.443 265 G N 1.576 110.270 108.800 -0.176 0.000 2.422 265 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 265 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 265 G C 1.621 176.484 174.900 -0.061 0.000 1.146 265 G CA 0.426 45.462 45.100 -0.107 0.000 0.769 265 G HN 0.181 nan 8.290 nan 0.000 0.547 266 L N 0.276 121.477 121.223 -0.038 0.000 2.191 266 L HA -0.082 4.257 4.340 -0.001 0.000 0.212 266 L C 2.808 179.648 176.870 -0.050 0.000 1.103 266 L CA 1.039 55.857 54.840 -0.036 0.000 0.769 266 L CB -0.360 41.681 42.059 -0.030 0.000 0.908 266 L HN 0.351 nan 8.230 nan 0.000 0.438 267 E N -0.451 119.714 120.200 -0.059 0.000 2.153 267 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 267 E C 1.793 178.364 176.600 -0.047 0.000 0.988 267 E CA 1.759 58.126 56.400 -0.054 0.000 0.811 267 E CB -0.086 29.577 29.700 -0.062 0.000 0.746 267 E HN 0.568 nan 8.360 nan 0.000 0.466 268 T N -1.320 113.204 114.554 -0.050 0.000 3.069 268 T HA 0.119 4.468 4.350 -0.001 0.000 0.252 268 T C 1.608 176.289 174.700 -0.030 0.000 1.053 268 T CA -0.309 61.767 62.100 -0.041 0.000 0.964 268 T CB 0.134 68.973 68.868 -0.047 0.000 1.005 268 T HN -0.037 nan 8.240 nan 0.000 0.532 269 L N 2.119 123.322 121.223 -0.032 0.000 2.012 269 L HA 0.135 4.474 4.340 -0.001 0.000 0.210 269 L C 2.730 179.586 176.870 -0.024 0.000 1.073 269 L CA 2.042 56.867 54.840 -0.026 0.000 0.748 269 L CB -1.176 40.858 42.059 -0.041 0.000 0.891 269 L HN 0.349 nan 8.230 nan 0.000 0.431 270 A N 0.397 123.200 122.820 -0.028 0.000 1.859 270 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 270 A C 2.267 179.847 177.584 -0.007 0.000 1.198 270 A CA 2.589 54.613 52.037 -0.022 0.000 0.629 270 A CB -1.245 17.742 19.000 -0.022 0.000 0.830 270 A HN 0.695 nan 8.150 nan 0.000 0.446 271 I N -2.935 117.634 120.570 -0.002 0.000 2.394 271 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 271 I C 2.376 178.513 176.117 0.034 0.000 1.136 271 I CA 1.703 63.012 61.300 0.014 0.000 1.425 271 I CB -0.451 37.552 38.000 0.006 0.000 1.079 271 I HN 0.173 nan 8.210 nan 0.000 0.425 272 R N 1.337 121.848 120.500 0.019 0.000 2.062 272 R HA -0.046 4.294 4.340 -0.001 0.000 0.231 272 R C 2.499 178.841 176.300 0.070 0.000 1.136 272 R CA 1.663 57.783 56.100 0.033 0.000 0.948 272 R CB -0.670 29.639 30.300 0.015 0.000 0.845 272 R HN 0.286 nan 8.270 nan 0.000 0.430 273 V N 1.524 121.462 119.914 0.041 0.000 2.287 273 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 273 V C 2.279 178.390 176.094 0.027 0.000 1.053 273 V CA 1.879 64.191 62.300 0.019 0.000 1.027 273 V CB -0.554 31.240 31.823 -0.049 0.000 0.646 273 V HN 0.355 nan 8.190 nan 0.000 0.447 274 Q N -1.096 118.721 119.800 0.028 0.000 2.096 274 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 274 Q C 2.387 178.416 176.000 0.049 0.000 0.982 274 Q CA 1.966 57.785 55.803 0.025 0.000 0.850 274 Q CB -0.330 28.420 28.738 0.021 0.000 0.901 274 Q HN 0.723 nan 8.270 nan 0.000 0.422 275 H N -0.439 118.631 119.070 -0.000 0.000 2.326 275 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 275 H C 1.857 177.190 175.328 0.009 0.000 1.081 275 H CA 1.744 57.794 56.048 0.003 0.000 1.334 275 H CB 0.298 30.061 29.762 0.001 0.000 1.385 275 H HN 0.154 nan 8.280 nan 0.000 0.504 276 S N 0.434 116.247 115.700 0.189 0.000 2.406 276 S HA -0.129 4.341 4.470 -0.001 0.000 0.228 276 S C 1.942 176.582 174.600 0.067 0.000 1.020 276 S CA 0.992 59.276 58.200 0.140 0.000 0.965 276 S CB -0.201 63.087 63.200 0.146 0.000 0.798 276 S HN 0.525 nan 8.310 nan 0.000 0.488 277 N N 2.033 120.762 118.700 0.048 0.000 2.120 277 N HA -0.059 4.681 4.740 -0.001 0.000 0.188 277 N C 1.630 177.158 175.510 0.031 0.000 1.024 277 N CA 1.469 54.549 53.050 0.050 0.000 0.852 277 N CB -0.395 38.095 38.487 0.006 0.000 1.003 277 N HN 0.317 nan 8.380 nan 0.000 0.424 278 A N -0.568 122.235 122.820 -0.028 0.000 1.898 278 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 278 A C 2.370 179.901 177.584 -0.088 0.000 1.181 278 A CA 1.870 53.870 52.037 -0.062 0.000 0.620 278 A CB -1.271 17.659 19.000 -0.116 0.000 0.819 278 A HN 0.404 nan 8.150 nan 0.000 0.442 279 S N -0.413 115.213 115.700 -0.123 0.000 2.356 279 S HA -0.055 4.414 4.470 -0.001 0.000 0.223 279 S C 2.214 176.770 174.600 -0.073 0.000 1.032 279 S CA 1.608 59.748 58.200 -0.101 0.000 1.005 279 S CB -0.507 62.651 63.200 -0.071 0.000 0.867 279 S HN 0.819 nan 8.310 nan 0.000 0.449 280 A N 0.809 123.595 122.820 -0.056 0.000 1.908 280 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 280 A C 2.104 179.482 177.584 -0.344 0.000 1.181 280 A CA 2.162 54.123 52.037 -0.125 0.000 0.627 280 A CB -1.094 17.905 19.000 -0.001 0.000 0.818 280 A HN 0.652 nan 8.150 nan 0.000 0.445 281 Q N -0.112 119.534 119.800 -0.258 0.000 2.061 281 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 281 Q C 2.194 178.109 176.000 -0.140 0.000 0.984 281 Q CA 2.100 57.761 55.803 -0.237 0.000 0.846 281 Q CB -0.248 28.507 28.738 0.028 0.000 0.902 281 Q HN 0.665 nan 8.270 nan 0.000 0.421 282 R N -0.404 120.046 120.500 -0.083 0.000 2.081 282 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 282 R C 2.376 178.667 176.300 -0.015 0.000 1.131 282 R CA 1.566 57.644 56.100 -0.037 0.000 0.960 282 R CB -0.374 29.900 30.300 -0.045 0.000 0.856 282 R HN 0.366 nan 8.270 nan 0.000 0.436 283 I N 0.530 121.070 120.570 -0.050 0.000 2.252 283 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 283 I C 2.604 178.743 176.117 0.037 0.000 1.102 283 I CA 1.178 62.482 61.300 0.007 0.000 1.385 283 I CB -0.362 37.624 38.000 -0.023 0.000 1.064 283 I HN 0.182 nan 8.210 nan 0.000 0.414 284 A N 0.510 123.272 122.820 -0.097 0.000 1.902 284 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 284 A C 2.184 179.769 177.584 0.000 0.000 1.181 284 A CA 1.843 53.831 52.037 -0.082 0.000 0.623 284 A CB -0.613 18.213 19.000 -0.289 0.000 0.818 284 A HN 0.443 nan 8.150 nan 0.000 0.443 285 E N -1.369 118.837 120.200 0.010 0.000 2.110 285 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 285 E C 1.712 178.350 176.600 0.064 0.000 0.988 285 E CA 1.318 57.742 56.400 0.041 0.000 0.804 285 E CB -0.294 29.433 29.700 0.045 0.000 0.745 285 E HN 0.720 nan 8.360 nan 0.000 0.458 286 F N 1.332 121.256 119.950 -0.042 0.000 2.095 286 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 286 F C 1.810 177.589 175.800 -0.035 0.000 1.104 286 F CA 1.390 59.369 58.000 -0.034 0.000 1.232 286 F CB -0.205 38.767 39.000 -0.046 0.000 0.987 286 F HN -0.088 nan 8.300 nan 0.000 0.475 287 L N 0.272 121.353 121.223 -0.236 0.000 2.131 287 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 287 L C 2.130 178.852 176.870 -0.246 0.000 1.092 287 L CA 1.413 56.016 54.840 -0.395 0.000 0.759 287 L CB -0.882 40.988 42.059 -0.314 0.000 0.903 287 L HN 0.220 nan 8.230 nan 0.000 0.435 288 N N 0.396 119.028 118.700 -0.114 0.000 2.381 288 N HA -0.103 4.637 4.740 -0.001 0.000 0.182 288 N C 1.564 177.035 175.510 -0.066 0.000 1.025 288 N CA 1.209 54.234 53.050 -0.040 0.000 0.888 288 N CB 0.005 38.500 38.487 0.014 0.000 0.965 288 N HN 0.235 nan 8.380 nan 0.000 0.438 289 G N -1.812 106.914 108.800 -0.123 0.000 3.189 289 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.225 289 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.225 289 G C -0.043 174.757 174.900 -0.168 0.000 1.159 289 G CA -0.256 44.772 45.100 -0.121 0.000 0.763 289 G HN 0.331 nan 8.290 nan 0.000 0.549 290 H N 1.094 119.974 119.070 -0.317 0.000 2.527 290 H HA 0.232 4.787 4.556 -0.001 0.000 0.321 290 H C -1.557 173.656 175.328 -0.192 0.000 1.087 290 H CA -1.613 54.237 56.048 -0.331 0.000 1.337 290 H CB 2.424 31.873 29.762 -0.522 0.000 1.440 290 H HN -0.082 nan 8.280 nan 0.000 0.490 291 P HA -0.127 nan 4.420 nan 0.000 0.219 291 P C 1.260 178.590 177.300 0.050 0.000 1.146 291 P CA 0.999 64.043 63.100 -0.092 0.000 0.808 291 P CB 0.368 31.968 31.700 -0.168 0.000 0.779 292 S N -1.300 114.547 115.700 0.245 0.000 2.593 292 S HA 0.087 4.556 4.470 -0.001 0.000 0.217 292 S C 0.501 175.135 174.600 0.056 0.000 0.966 292 S CA -0.135 58.151 58.200 0.144 0.000 0.914 292 S CB -0.311 62.983 63.200 0.157 0.000 0.776 292 S HN -0.190 nan 8.310 nan 0.000 0.523 293 V N 2.206 122.139 119.914 0.032 0.000 2.384 293 V HA 0.428 4.548 4.120 -0.001 0.000 0.287 293 V C 0.974 177.062 176.094 -0.011 0.000 1.020 293 V CA -0.679 61.611 62.300 -0.016 0.000 0.850 293 V CB 1.571 33.327 31.823 -0.112 0.000 0.987 293 V HN 0.258 nan 8.190 nan 0.000 0.436 294 R N 4.543 125.011 120.500 -0.054 0.000 2.062 294 R HA 0.070 4.410 4.340 -0.001 0.000 0.226 294 R C 0.185 176.547 176.300 0.103 0.000 1.125 294 R CA 1.162 57.246 56.100 -0.025 0.000 0.966 294 R CB 0.385 30.630 30.300 -0.093 0.000 0.861 294 R HN 0.796 nan 8.270 nan 0.000 0.433 295 W N -1.361 119.990 121.300 0.083 0.000 3.074 295 W HA 0.548 5.208 4.660 -0.001 0.000 0.332 295 W C -1.944 174.653 176.519 0.130 0.000 1.253 295 W CA -1.072 56.318 57.345 0.074 0.000 1.180 295 W CB 0.930 30.415 29.460 0.043 0.000 1.445 295 W HN -0.361 nan 8.180 nan 0.000 0.573 296 V N 2.678 122.971 119.914 0.633 0.000 2.656 296 V HA 0.564 4.683 4.120 -0.001 0.000 0.307 296 V C -0.435 175.978 176.094 0.532 0.000 1.051 296 V CA -0.938 61.697 62.300 0.558 0.000 0.893 296 V CB 1.896 33.905 31.823 0.309 0.000 0.999 296 V HN 0.453 nan 8.190 nan 0.000 0.426 297 R N 3.357 124.191 120.500 0.557 0.000 2.388 297 R HA 0.544 4.884 4.340 -0.001 0.000 0.314 297 R C -1.701 174.918 176.300 0.532 0.000 0.959 297 R CA -0.551 55.790 56.100 0.402 0.000 0.851 297 R CB 1.567 32.003 30.300 0.226 0.000 1.168 297 R HN 0.799 nan 8.270 nan 0.000 0.472 298 Y N 3.693 124.242 120.300 0.415 0.000 2.399 298 Y HA 0.299 4.849 4.550 -0.001 0.000 0.327 298 Y C -2.127 173.972 175.900 0.333 0.000 1.111 298 Y CA -1.936 56.370 58.100 0.344 0.000 1.047 298 Y CB 2.452 41.075 38.460 0.272 0.000 1.259 298 Y HN 0.319 nan 8.280 nan 0.000 0.434 299 P HA -0.131 nan 4.420 nan 0.000 0.218 299 P C 0.477 177.847 177.300 0.117 0.000 1.148 299 P CA 1.793 64.740 63.100 -0.255 0.000 0.822 299 P CB 0.053 31.594 31.700 -0.265 0.000 0.784 300 Y N -2.089 118.186 120.300 -0.042 0.000 2.468 300 Y HA 0.186 4.736 4.550 -0.000 0.000 0.268 300 Y C 0.639 176.805 175.900 0.444 0.000 1.177 300 Y CA -0.972 57.302 58.100 0.291 0.000 1.265 300 Y CB 0.300 38.901 38.460 0.235 0.000 1.103 300 Y HN -0.136 nan 8.280 nan 0.000 0.522 301 L N 1.618 123.145 121.223 0.507 0.000 2.290 301 L HA 0.262 4.601 4.340 -0.001 0.000 0.284 301 L C -1.757 175.065 176.870 -0.080 0.000 1.078 301 L CA -2.167 52.822 54.840 0.249 0.000 0.815 301 L CB 1.036 43.286 42.059 0.319 0.000 1.162 301 L HN -0.112 nan 8.230 nan 0.000 0.435 302 P HA -0.153 nan 4.420 nan 0.000 0.222 302 P C 1.292 178.360 177.300 -0.387 0.000 1.142 302 P CA 1.331 63.845 63.100 -0.977 0.000 0.788 302 P CB 0.173 31.484 31.700 -0.648 0.000 0.767 303 S N -2.676 112.946 115.700 -0.130 0.000 2.515 303 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 303 S C 1.088 175.712 174.600 0.040 0.000 0.987 303 S CA 0.088 58.275 58.200 -0.022 0.000 0.936 303 S CB -1.215 61.998 63.200 0.022 0.000 0.766 303 S HN 0.217 nan 8.310 nan 0.000 0.528 304 H N 3.483 122.572 119.070 0.032 0.000 2.964 304 H HA 0.146 4.701 4.556 -0.001 0.000 0.328 304 H C -1.820 173.542 175.328 0.058 0.000 1.030 304 H CA -1.102 54.989 56.048 0.072 0.000 1.445 304 H CB 1.163 31.013 29.762 0.145 0.000 1.449 304 H HN 0.082 nan 8.280 nan 0.000 0.581 305 P HA -0.117 nan 4.420 nan 0.000 0.219 305 P C 0.198 177.590 177.300 0.153 0.000 1.146 305 P CA 1.464 64.564 63.100 0.000 0.000 0.808 305 P CB 0.262 31.881 31.700 -0.135 0.000 0.779 306 Q N -2.820 117.217 119.800 0.395 0.000 2.182 306 Q HA 0.110 4.449 4.340 -0.001 0.000 0.270 306 Q C 0.763 176.860 176.000 0.162 0.000 0.861 306 Q CA -0.440 55.505 55.803 0.236 0.000 1.098 306 Q CB -0.164 28.681 28.738 0.179 0.000 1.188 306 Q HN 0.182 nan 8.270 nan 0.000 0.464 307 Y N 1.832 122.186 120.300 0.090 0.000 2.151 307 Y HA -0.334 4.215 4.550 -0.001 0.000 0.284 307 Y C 1.347 177.204 175.900 -0.072 0.000 1.166 307 Y CA 2.114 60.203 58.100 -0.019 0.000 1.163 307 Y CB 0.242 38.708 38.460 0.010 0.000 0.974 307 Y HN 0.207 nan 8.280 nan 0.000 0.511 308 D N 0.017 120.363 120.400 -0.090 0.000 2.117 308 D HA -0.185 4.454 4.640 -0.001 0.000 0.197 308 D C 2.188 178.374 176.300 -0.190 0.000 0.987 308 D CA 1.522 55.413 54.000 -0.182 0.000 0.829 308 D CB -0.617 40.155 40.800 -0.046 0.000 0.961 308 D HN 0.434 nan 8.370 nan 0.000 0.460 309 L N 0.824 121.978 121.223 -0.116 0.000 2.093 309 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 309 L C 2.090 178.884 176.870 -0.127 0.000 1.085 309 L CA 1.540 56.319 54.840 -0.102 0.000 0.755 309 L CB -0.713 41.309 42.059 -0.062 0.000 0.904 309 L HN -0.039 nan 8.230 nan 0.000 0.435 310 A N -0.422 122.296 122.820 -0.170 0.000 1.883 310 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 310 A C 2.218 179.726 177.584 -0.127 0.000 1.186 310 A CA 1.803 53.755 52.037 -0.142 0.000 0.624 310 A CB -0.543 18.357 19.000 -0.167 0.000 0.822 310 A HN 0.406 nan 8.150 nan 0.000 0.444 311 K N -0.242 119.941 120.400 -0.363 0.000 2.209 311 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 311 K C 2.068 178.582 176.600 -0.143 0.000 1.048 311 K CA 1.028 57.108 56.287 -0.345 0.000 0.940 311 K CB -0.304 31.862 32.500 -0.557 0.000 0.729 311 K HN 0.511 nan 8.250 nan 0.000 0.451 312 R N 0.763 121.187 120.500 -0.128 0.000 2.062 312 R HA -0.108 4.232 4.340 -0.001 0.000 0.229 312 R C 2.157 178.433 176.300 -0.040 0.000 1.128 312 R CA 1.474 57.528 56.100 -0.076 0.000 0.960 312 R CB -0.009 30.245 30.300 -0.076 0.000 0.855 312 R HN 0.435 nan 8.270 nan 0.000 0.432 313 Q N -0.588 119.192 119.800 -0.033 0.000 2.189 313 Q HA 0.245 4.584 4.340 -0.001 0.000 0.223 313 Q C 0.034 176.034 176.000 0.001 0.000 0.828 313 Q CA -0.002 55.790 55.803 -0.018 0.000 0.967 313 Q CB 0.789 29.509 28.738 -0.030 0.000 1.139 313 Q HN 0.097 nan 8.270 nan 0.000 0.497 314 M N 0.969 120.586 119.600 0.030 0.000 2.530 314 M HA 0.319 4.799 4.480 -0.001 0.000 0.307 314 M C 0.179 176.522 176.300 0.072 0.000 1.161 314 M CA -0.643 54.678 55.300 0.034 0.000 0.903 314 M CB 2.330 34.948 32.600 0.030 0.000 1.711 314 M HN 0.141 nan 8.290 nan 0.000 0.451 315 S N -0.372 115.310 115.700 -0.030 0.000 2.548 315 S HA 0.431 4.901 4.470 -0.001 0.000 0.215 315 S C 0.482 174.897 174.600 -0.308 0.000 0.976 315 S CA 0.183 58.356 58.200 -0.044 0.000 0.908 315 S CB 0.111 63.292 63.200 -0.031 0.000 0.781 315 S HN 0.945 nan 8.310 nan 0.000 0.519 316 G N -0.913 107.528 108.800 -0.599 0.000 2.623 316 G HA2 0.513 4.473 3.960 -0.001 0.000 0.290 316 G HA3 0.513 4.473 3.960 -0.001 0.000 0.290 316 G C 0.329 174.714 174.900 -0.857 0.000 1.437 316 G CA -0.194 44.305 45.100 -1.001 0.000 0.798 316 G HN 0.202 nan 8.290 nan 0.000 0.488 317 G N -1.368 107.017 108.800 -0.691 0.000 2.551 317 G HA2 0.526 4.486 3.960 -0.001 0.000 0.216 317 G HA3 0.526 4.486 3.960 -0.001 0.000 0.216 317 G C 1.081 175.721 174.900 -0.433 0.000 1.137 317 G CA 1.255 46.013 45.100 -0.570 0.000 0.798 317 G HN 2.198 nan 8.290 nan 0.000 0.536 318 G N -1.034 107.682 108.800 -0.139 0.000 2.409 318 G HA2 0.172 4.132 3.960 -0.001 0.000 0.421 318 G HA3 0.172 4.132 3.960 -0.001 0.000 0.421 318 G C 0.539 175.536 174.900 0.162 0.000 1.259 318 G CA 0.549 45.637 45.100 -0.021 0.000 1.011 318 G HN 0.980 nan 8.290 nan 0.000 0.497 319 T N -2.808 111.810 114.554 0.107 0.000 3.040 319 T HA 0.566 4.916 4.350 -0.001 0.000 0.266 319 T C 0.323 175.094 174.700 0.119 0.000 1.005 319 T CA 0.898 63.084 62.100 0.143 0.000 0.906 319 T CB 0.393 69.367 68.868 0.176 0.000 1.082 319 T HN 1.296 nan 8.240 nan 0.000 0.531 320 V N 1.716 121.694 119.914 0.107 0.000 2.555 320 V HA 0.683 4.803 4.120 -0.001 0.000 0.302 320 V C -0.586 175.710 176.094 0.337 0.000 1.038 320 V CA -0.889 61.476 62.300 0.108 0.000 0.887 320 V CB 1.999 33.728 31.823 -0.156 0.000 0.991 320 V HN 0.243 nan 8.190 nan 0.000 0.434 321 V N 3.131 123.231 119.914 0.310 0.000 2.487 321 V HA 0.541 4.660 4.120 -0.001 0.000 0.298 321 V C -0.006 176.322 176.094 0.391 0.000 1.028 321 V CA -0.324 62.201 62.300 0.375 0.000 0.860 321 V CB 2.076 34.040 31.823 0.235 0.000 0.991 321 V HN 0.946 nan 8.190 nan 0.000 0.427 322 T N 6.040 120.857 114.554 0.438 0.000 2.823 322 T HA 0.823 5.173 4.350 -0.001 0.000 0.279 322 T C -0.696 174.289 174.700 0.475 0.000 0.998 322 T CA -0.249 62.081 62.100 0.382 0.000 0.994 322 T CB 1.127 70.222 68.868 0.378 0.000 0.960 322 T HN 0.623 nan 8.240 nan 0.000 0.448 323 F N -0.006 120.007 119.950 0.106 0.000 2.645 323 F HA 0.887 5.414 4.527 -0.001 0.000 0.310 323 F C -1.129 174.336 175.800 -0.560 0.000 1.102 323 F CA -1.690 56.225 58.000 -0.142 0.000 0.952 323 F CB 0.902 39.861 39.000 -0.069 0.000 1.326 323 F HN 0.653 nan 8.300 nan 0.000 0.456 324 A N 2.801 125.060 122.820 -0.935 0.000 2.337 324 A HA 0.786 5.105 4.320 -0.001 0.000 0.329 324 A C -1.112 176.259 177.584 -0.355 0.000 1.146 324 A CA -0.880 50.611 52.037 -0.910 0.000 0.800 324 A CB 1.077 19.159 19.000 -1.530 0.000 1.220 324 A HN 0.867 nan 8.150 nan 0.000 0.472 325 L N 0.932 122.034 121.223 -0.203 0.000 2.418 325 L HA 0.239 4.579 4.340 -0.001 0.000 0.265 325 L C 0.146 176.967 176.870 -0.082 0.000 1.143 325 L CA -0.422 54.390 54.840 -0.047 0.000 0.809 325 L CB 0.683 42.738 42.059 -0.006 0.000 1.124 325 L HN 0.713 nan 8.230 nan 0.000 0.456 326 D N 1.732 122.112 120.400 -0.033 0.000 2.483 326 D HA 0.235 4.875 4.640 -0.001 0.000 0.220 326 D C -1.223 175.068 176.300 -0.015 0.000 1.173 326 D CA 0.077 54.063 54.000 -0.024 0.000 0.964 326 D CB 0.311 41.109 40.800 -0.004 0.000 1.046 326 D HN 0.415 nan 8.370 nan 0.000 0.517 327 C N 4.712 123.998 119.300 -0.023 0.000 2.931 327 C HA 0.503 4.963 4.460 -0.001 0.000 0.370 327 C C -2.481 172.497 174.990 -0.020 0.000 1.071 327 C CA -1.469 57.537 59.018 -0.020 0.000 1.266 327 C CB 0.737 28.461 27.740 -0.026 0.000 1.691 327 C HN 0.441 nan 8.230 nan 0.000 0.511 328 P HA 0.121 nan 4.420 nan 0.000 0.266 328 P C 0.538 177.827 177.300 -0.018 0.000 1.193 328 P CA 0.506 63.599 63.100 -0.012 0.000 0.770 328 P CB 0.628 32.322 31.700 -0.011 0.000 0.836 329 E N 2.162 122.354 120.200 -0.012 0.000 2.110 329 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 329 E C 1.273 177.858 176.600 -0.025 0.000 0.988 329 E CA 1.875 58.266 56.400 -0.015 0.000 0.804 329 E CB -0.498 29.199 29.700 -0.005 0.000 0.745 329 E HN 0.535 nan 8.360 nan 0.000 0.458 330 D N -0.232 120.153 120.400 -0.025 0.000 2.263 330 D HA -0.138 4.502 4.640 -0.001 0.000 0.208 330 D C 1.431 177.703 176.300 -0.046 0.000 0.971 330 D CA 1.573 55.554 54.000 -0.032 0.000 0.867 330 D CB -0.041 40.744 40.800 -0.025 0.000 0.929 330 D HN 0.326 nan 8.370 nan 0.000 0.492 331 V N -4.199 115.686 119.914 -0.049 0.000 3.253 331 V HA 0.609 4.728 4.120 -0.001 0.000 0.320 331 V C 2.064 178.108 176.094 -0.083 0.000 1.442 331 V CA 0.069 62.329 62.300 -0.066 0.000 1.097 331 V CB 0.126 31.918 31.823 -0.051 0.000 1.008 331 V HN 0.157 nan 8.190 nan 0.000 0.463 332 A N 1.076 123.853 122.820 -0.072 0.000 1.933 332 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 332 A C 2.220 179.733 177.584 -0.120 0.000 1.175 332 A CA 2.170 54.165 52.037 -0.070 0.000 0.628 332 A CB -0.402 18.573 19.000 -0.041 0.000 0.814 332 A HN 0.552 nan 8.150 nan 0.000 0.444 333 K N -0.885 119.408 120.400 -0.179 0.000 2.032 333 K HA -0.251 4.068 4.320 -0.001 0.000 0.209 333 K C 2.584 178.829 176.600 -0.592 0.000 1.048 333 K CA 1.981 58.022 56.287 -0.411 0.000 0.927 333 K CB -0.388 31.851 32.500 -0.435 0.000 0.712 333 K HN 0.543 nan 8.250 nan 0.000 0.441 334 Q N 1.252 120.822 119.800 -0.383 0.000 2.077 334 Q HA -0.241 4.099 4.340 -0.001 0.000 0.206 334 Q C 1.997 177.919 176.000 -0.129 0.000 0.989 334 Q CA 2.269 57.917 55.803 -0.258 0.000 0.853 334 Q CB -0.696 27.954 28.738 -0.146 0.000 0.907 334 Q HN 0.400 nan 8.270 nan 0.000 0.418 335 R N 0.222 120.661 120.500 -0.103 0.000 2.075 335 R HA 0.141 4.481 4.340 -0.001 0.000 0.232 335 R C 2.443 178.734 176.300 -0.015 0.000 1.126 335 R CA 1.880 57.956 56.100 -0.040 0.000 0.963 335 R CB -0.903 29.378 30.300 -0.032 0.000 0.858 335 R HN 0.538 nan 8.270 nan 0.000 0.435 336 A N -0.155 122.631 122.820 -0.057 0.000 1.908 336 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 336 A C 1.955 179.599 177.584 0.101 0.000 1.181 336 A CA 1.418 53.441 52.037 -0.023 0.000 0.627 336 A CB -0.752 18.154 19.000 -0.157 0.000 0.818 336 A HN 0.361 nan 8.150 nan 0.000 0.445 337 F N -0.037 119.791 119.950 -0.203 0.000 2.146 337 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 337 F C 2.299 178.055 175.800 -0.073 0.000 1.096 337 F CA 1.025 58.938 58.000 -0.145 0.000 1.275 337 F CB -0.976 37.946 39.000 -0.130 0.000 1.008 337 F HN 0.460 nan 8.300 nan 0.000 0.480 338 E N 0.291 120.575 120.200 0.140 0.000 2.058 338 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 338 E C 2.247 178.881 176.600 0.057 0.000 0.997 338 E CA 1.673 58.118 56.400 0.074 0.000 0.801 338 E CB -0.064 29.665 29.700 0.049 0.000 0.746 338 E HN 0.164 nan 8.360 nan 0.000 0.450 339 V N 0.691 120.642 119.914 0.062 0.000 2.270 339 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 339 V C 2.377 178.505 176.094 0.057 0.000 1.043 339 V CA 1.353 63.692 62.300 0.065 0.000 1.014 339 V CB -0.455 31.423 31.823 0.092 0.000 0.645 339 V HN 0.268 nan 8.190 nan 0.000 0.447 340 L N 0.189 121.440 121.223 0.046 0.000 2.083 340 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 340 L C 2.089 178.957 176.870 -0.003 0.000 1.083 340 L CA 1.846 56.697 54.840 0.018 0.000 0.752 340 L CB -1.006 41.041 42.059 -0.020 0.000 0.899 340 L HN 0.322 nan 8.230 nan 0.000 0.433 341 D N -0.559 119.835 120.400 -0.010 0.000 2.309 341 D HA -0.143 4.497 4.640 -0.001 0.000 0.212 341 D C 2.026 178.329 176.300 0.004 0.000 0.968 341 D CA 0.857 54.849 54.000 -0.014 0.000 0.882 341 D CB 0.003 40.797 40.800 -0.009 0.000 0.918 341 D HN 0.322 nan 8.370 nan 0.000 0.503 342 K N -0.494 119.916 120.400 0.017 0.000 2.400 342 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 342 K C 0.684 177.296 176.600 0.019 0.000 1.033 342 K CA -0.050 56.249 56.287 0.020 0.000 1.021 342 K CB 0.328 32.844 32.500 0.028 0.000 0.808 342 K HN 0.090 nan 8.250 nan 0.000 0.505 343 M N 0.874 120.486 119.600 0.020 0.000 2.249 343 M HA 0.014 4.494 4.480 -0.001 0.000 0.340 343 M C 0.892 177.199 176.300 0.011 0.000 1.166 343 M CA 0.886 56.198 55.300 0.019 0.000 1.115 343 M CB 0.525 33.140 32.600 0.025 0.000 1.606 343 M HN -0.029 nan 8.290 nan 0.000 0.448 344 R N 1.470 121.975 120.500 0.009 0.000 2.469 344 R HA 0.194 4.533 4.340 -0.001 0.000 0.250 344 R C 1.100 177.402 176.300 0.003 0.000 0.909 344 R CA 0.163 56.265 56.100 0.004 0.000 1.050 344 R CB 0.093 30.395 30.300 0.003 0.000 1.256 344 R HN 0.557 nan 8.270 nan 0.000 0.550 345 L N 0.268 121.492 121.223 0.003 0.000 2.519 345 L HA 0.418 4.757 4.340 -0.001 0.000 0.194 345 L C 0.472 177.346 176.870 0.006 0.000 1.072 345 L CA 0.761 55.602 54.840 0.002 0.000 0.845 345 L CB 0.219 42.277 42.059 -0.003 0.000 1.138 345 L HN -0.132 nan 8.230 nan 0.000 0.487 346 I N 1.920 122.497 120.570 0.012 0.000 2.618 346 I HA 0.007 4.176 4.170 -0.001 0.000 0.284 346 I C -0.303 175.824 176.117 0.017 0.000 1.146 346 I CA 0.064 61.376 61.300 0.019 0.000 1.425 346 I CB 0.094 38.114 38.000 0.033 0.000 1.383 346 I HN 0.194 nan 8.210 nan 0.000 0.562 347 D N 6.893 127.303 120.400 0.016 0.000 2.255 347 D HA 0.332 4.972 4.640 -0.001 0.000 0.249 347 D C 0.089 176.398 176.300 0.015 0.000 1.078 347 D CA -0.223 53.784 54.000 0.011 0.000 0.896 347 D CB 1.773 42.579 40.800 0.010 0.000 1.194 347 D HN 0.292 nan 8.370 nan 0.000 0.429 348 I N 1.581 122.154 120.570 0.005 0.000 2.421 348 I HA 0.073 4.242 4.170 -0.001 0.000 0.291 348 I C 0.702 176.825 176.117 0.009 0.000 1.089 348 I CA 0.554 61.855 61.300 0.002 0.000 1.354 348 I CB 0.368 38.351 38.000 -0.029 0.000 1.413 348 I HN 0.048 nan 8.210 nan 0.000 0.513 349 S N 5.701 121.417 115.700 0.026 0.000 2.543 349 S HA 0.291 4.761 4.470 -0.001 0.000 0.274 349 S C -1.006 173.629 174.600 0.057 0.000 1.149 349 S CA -1.052 57.169 58.200 0.035 0.000 0.866 349 S CB 1.244 64.462 63.200 0.031 0.000 1.111 349 S HN 0.728 nan 8.310 nan 0.000 0.457 350 N N 3.760 122.501 118.700 0.068 0.000 2.918 350 N HA 0.295 5.035 4.740 -0.001 0.000 0.247 350 N C -0.674 174.904 175.510 0.113 0.000 1.117 350 N CA -0.463 52.648 53.050 0.102 0.000 1.005 350 N CB 0.025 38.576 38.487 0.106 0.000 1.297 350 N HN 0.498 nan 8.380 nan 0.000 0.513 351 N N 1.148 119.909 118.700 0.102 0.000 3.116 351 N HA 0.526 5.265 4.740 -0.001 0.000 0.244 351 N C -1.656 173.886 175.510 0.053 0.000 1.485 351 N CA -0.427 52.672 53.050 0.082 0.000 0.884 351 N CB 1.967 40.483 38.487 0.048 0.000 1.415 351 N HN 0.422 nan 8.380 nan 0.000 0.524 352 L N -3.643 117.580 121.223 -0.000 0.000 2.630 352 L HA 0.875 5.214 4.340 -0.001 0.000 0.258 352 L C 0.774 177.514 176.870 -0.217 0.000 1.072 352 L CA -0.156 54.636 54.840 -0.079 0.000 0.885 352 L CB 1.221 43.241 42.059 -0.066 0.000 1.502 352 L HN 0.624 nan 8.230 nan 0.000 0.406 353 G N -0.350 108.218 108.800 -0.387 0.000 2.176 353 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.252 353 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.252 353 G C -0.379 174.344 174.900 -0.294 0.000 1.024 353 G CA 0.478 45.164 45.100 -0.689 0.000 0.755 353 G HN 1.008 nan 8.290 nan 0.000 0.507 354 D N -0.749 119.559 120.400 -0.154 0.000 2.228 354 D HA 0.721 5.360 4.640 -0.001 0.000 0.247 354 D C 1.436 177.709 176.300 -0.046 0.000 0.995 354 D CA 0.187 54.140 54.000 -0.078 0.000 0.903 354 D CB 1.277 42.048 40.800 -0.049 0.000 1.205 354 D HN 0.356 nan 8.370 nan 0.000 0.459 355 A N 3.271 126.070 122.820 -0.035 0.000 2.019 355 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 355 A C 0.933 178.506 177.584 -0.019 0.000 1.164 355 A CA 1.133 53.154 52.037 -0.028 0.000 0.644 355 A CB -0.242 18.735 19.000 -0.038 0.000 0.805 355 A HN 0.494 nan 8.150 nan 0.000 0.449 356 K N 1.309 121.699 120.400 -0.016 0.000 2.297 356 K HA 0.357 4.676 4.320 -0.001 0.000 0.286 356 K C -0.362 176.237 176.600 -0.000 0.000 1.053 356 K CA -0.220 56.063 56.287 -0.007 0.000 0.940 356 K CB 1.001 33.498 32.500 -0.006 0.000 1.019 356 K HN 0.181 nan 8.250 nan 0.000 0.475 357 S N 2.934 118.639 115.700 0.009 0.000 2.564 357 S HA 0.309 4.779 4.470 -0.001 0.000 0.278 357 S C -0.140 174.474 174.600 0.024 0.000 1.333 357 S CA -0.410 57.801 58.200 0.019 0.000 1.048 357 S CB 0.251 63.466 63.200 0.025 0.000 0.900 357 S HN 0.335 nan 8.310 nan 0.000 0.505 358 L N 2.344 123.588 121.223 0.034 0.000 2.393 358 L HA 0.767 5.107 4.340 -0.001 0.000 0.260 358 L C -0.776 176.131 176.870 0.062 0.000 1.002 358 L CA -0.884 53.980 54.840 0.040 0.000 0.818 358 L CB 1.902 43.981 42.059 0.035 0.000 1.369 358 L HN 0.376 nan 8.230 nan 0.000 0.412 359 V N 0.502 120.453 119.914 0.062 0.000 2.876 359 V HA 0.792 4.912 4.120 -0.001 0.000 0.312 359 V C -0.865 175.272 176.094 0.072 0.000 1.085 359 V CA 0.028 62.375 62.300 0.079 0.000 0.945 359 V CB 2.443 34.319 31.823 0.087 0.000 1.017 359 V HN 0.867 nan 8.190 nan 0.000 0.428 360 T N 3.415 118.020 114.554 0.085 0.000 2.900 360 T HA 0.402 4.751 4.350 -0.001 0.000 0.303 360 T C -1.523 173.249 174.700 0.120 0.000 1.142 360 T CA -0.417 61.739 62.100 0.094 0.000 1.007 360 T CB 1.143 70.073 68.868 0.103 0.000 1.156 360 T HN 0.868 nan 8.240 nan 0.000 0.490 361 H N 4.692 123.780 119.070 0.030 0.000 2.724 361 H HA 0.302 4.857 4.556 -0.001 0.000 0.278 361 H C -2.091 173.279 175.328 0.070 0.000 1.159 361 H CA -2.221 53.857 56.048 0.049 0.000 1.254 361 H CB 1.639 31.474 29.762 0.121 0.000 1.412 361 H HN 0.352 nan 8.280 nan 0.000 0.488 362 P HA -0.127 nan 4.420 nan 0.000 0.216 362 P C 1.321 178.538 177.300 -0.138 0.000 1.150 362 P CA 1.541 64.585 63.100 -0.093 0.000 0.837 362 P CB 0.194 31.822 31.700 -0.119 0.000 0.786 363 A N -0.622 121.977 122.820 -0.370 0.000 2.070 363 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 363 A C 1.959 179.514 177.584 -0.049 0.000 1.159 363 A CA 2.216 54.127 52.037 -0.211 0.000 0.656 363 A CB -1.606 17.247 19.000 -0.245 0.000 0.800 363 A HN 0.370 nan 8.150 nan 0.000 0.453 364 T N -4.807 109.766 114.554 0.032 0.000 3.044 364 T HA 0.219 4.569 4.350 -0.001 0.000 0.260 364 T C 1.013 175.792 174.700 0.131 0.000 1.019 364 T CA 1.011 63.220 62.100 0.182 0.000 0.921 364 T CB 0.033 69.153 68.868 0.420 0.000 1.053 364 T HN 0.530 nan 8.240 nan 0.000 0.533 365 T N -0.506 114.100 114.554 0.086 0.000 3.216 365 T HA 0.116 4.466 4.350 -0.001 0.000 0.167 365 T C 2.054 176.778 174.700 0.039 0.000 0.905 365 T CA 0.866 63.006 62.100 0.067 0.000 1.042 365 T CB -0.270 68.646 68.868 0.080 0.000 1.787 365 T HN 0.174 nan 8.240 nan 0.000 0.355 366 T N 0.083 114.679 114.554 0.070 0.000 2.849 366 T HA -0.091 4.258 4.350 -0.001 0.000 0.270 366 T C 1.037 175.643 174.700 -0.157 0.000 1.066 366 T CA 1.701 63.810 62.100 0.014 0.000 1.130 366 T CB -0.609 68.364 68.868 0.175 0.000 0.864 366 T HN 0.681 nan 8.240 nan 0.000 0.481 367 H N -0.686 118.335 119.070 -0.082 0.000 2.575 367 H HA 0.480 5.036 4.556 -0.001 0.000 0.256 367 H C 1.691 176.968 175.328 -0.086 0.000 1.162 367 H CA -0.628 55.357 56.048 -0.104 0.000 0.969 367 H CB 0.236 29.931 29.762 -0.111 0.000 1.796 367 H HN 0.204 nan 8.280 nan 0.000 0.607 368 R N 0.777 121.286 120.500 0.014 0.000 2.096 368 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 368 R C 1.988 178.281 176.300 -0.010 0.000 1.127 368 R CA 1.234 57.340 56.100 0.009 0.000 0.968 368 R CB 0.013 30.326 30.300 0.021 0.000 0.861 368 R HN 0.345 nan 8.270 nan 0.000 0.440 369 A N 0.920 123.719 122.820 -0.035 0.000 1.933 369 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 369 A C 2.172 179.744 177.584 -0.021 0.000 1.175 369 A CA 1.452 53.471 52.037 -0.030 0.000 0.628 369 A CB -0.436 18.537 19.000 -0.045 0.000 0.814 369 A HN 0.353 nan 8.150 nan 0.000 0.444 370 M N -1.019 118.555 119.600 -0.043 0.000 2.195 370 M HA -0.019 4.461 4.480 -0.001 0.000 0.260 370 M C 1.301 177.575 176.300 -0.043 0.000 1.066 370 M CA 1.118 56.379 55.300 -0.064 0.000 1.089 370 M CB -0.857 31.665 32.600 -0.129 0.000 1.377 370 M HN 0.685 nan 8.290 nan 0.000 0.411 371 G N -0.491 108.292 108.800 -0.029 0.000 2.814 371 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.677 371 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.677 371 G C -2.398 172.483 174.900 -0.032 0.000 1.429 371 G CA -0.700 44.386 45.100 -0.022 0.000 0.868 371 G HN 0.107 nan 8.290 nan 0.000 0.553 372 P HA 0.041 nan 4.420 nan 0.000 0.216 372 P C 2.031 179.310 177.300 -0.035 0.000 1.150 372 P CA 3.106 66.189 63.100 -0.027 0.000 0.837 372 P CB -0.053 31.635 31.700 -0.019 0.000 0.786 373 E N -0.193 119.986 120.200 -0.034 0.000 2.072 373 E HA -0.043 4.307 4.350 -0.001 0.000 0.190 373 E C 2.357 178.921 176.600 -0.061 0.000 0.982 373 E CA 1.362 57.738 56.400 -0.039 0.000 0.803 373 E CB -2.051 27.633 29.700 -0.028 0.000 0.755 373 E HN 0.291 nan 8.360 nan 0.000 0.453 374 G N 0.359 109.113 108.800 -0.076 0.000 2.422 374 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 374 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 374 G C 1.990 176.794 174.900 -0.158 0.000 1.146 374 G CA 0.906 45.925 45.100 -0.135 0.000 0.769 374 G HN 0.443 nan 8.290 nan 0.000 0.547 375 R N 0.318 120.752 120.500 -0.110 0.000 2.073 375 R HA 0.109 4.449 4.340 -0.001 0.000 0.229 375 R C 3.050 179.297 176.300 -0.088 0.000 1.120 375 R CA 0.950 56.989 56.100 -0.101 0.000 0.967 375 R CB -0.363 29.893 30.300 -0.073 0.000 0.862 375 R HN 0.329 nan 8.270 nan 0.000 0.436 376 A N 1.431 124.211 122.820 -0.068 0.000 1.940 376 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 376 A C 2.333 179.879 177.584 -0.062 0.000 1.176 376 A CA 1.762 53.767 52.037 -0.052 0.000 0.631 376 A CB -0.566 18.410 19.000 -0.039 0.000 0.814 376 A HN 0.402 nan 8.150 nan 0.000 0.446 377 A N 0.175 122.946 122.820 -0.082 0.000 2.070 377 A HA 0.020 4.339 4.320 -0.001 0.000 0.220 377 A C 1.815 179.342 177.584 -0.095 0.000 1.159 377 A CA 1.370 53.355 52.037 -0.087 0.000 0.656 377 A CB -0.692 18.246 19.000 -0.103 0.000 0.800 377 A HN 1.052 nan 8.150 nan 0.000 0.453 378 I N -5.464 115.041 120.570 -0.108 0.000 3.941 378 I HA 0.537 4.707 4.170 -0.001 0.000 0.335 378 I C 1.022 177.087 176.117 -0.087 0.000 1.402 378 I CA 0.351 61.588 61.300 -0.104 0.000 1.112 378 I CB -0.017 37.907 38.000 -0.127 0.000 1.043 378 I HN 0.250 nan 8.210 nan 0.000 0.395 379 G N 2.495 111.255 108.800 -0.067 0.000 2.160 379 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 379 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 379 G C -0.205 174.701 174.900 0.010 0.000 1.008 379 G CA 0.338 45.417 45.100 -0.036 0.000 0.724 379 G HN 0.437 nan 8.290 nan 0.000 0.514 380 L N 2.081 123.288 121.223 -0.027 0.000 2.314 380 L HA 0.737 5.076 4.340 -0.001 0.000 0.275 380 L C 0.951 177.802 176.870 -0.030 0.000 1.068 380 L CA -0.091 54.730 54.840 -0.032 0.000 0.894 380 L CB 0.163 42.147 42.059 -0.124 0.000 1.275 380 L HN 0.314 nan 8.230 nan 0.000 0.432 381 G N 2.052 110.860 108.800 0.013 0.000 2.543 381 G HA2 0.153 4.113 3.960 -0.001 0.000 0.290 381 G HA3 0.153 4.113 3.960 -0.001 0.000 0.290 381 G C 0.187 175.070 174.900 -0.029 0.000 1.310 381 G CA -0.372 44.726 45.100 -0.002 0.000 1.025 381 G HN 0.554 nan 8.290 nan 0.000 0.502 382 D N -0.502 119.897 120.400 -0.001 0.000 2.348 382 D HA 0.007 4.647 4.640 -0.001 0.000 0.216 382 D C 2.233 178.612 176.300 0.132 0.000 0.970 382 D CA 1.042 55.081 54.000 0.066 0.000 0.889 382 D CB 0.048 40.870 40.800 0.038 0.000 0.912 382 D HN 0.395 nan 8.370 nan 0.000 0.524 383 G N -0.342 108.464 108.800 0.010 0.000 3.088 383 G HA2 0.110 4.070 3.960 -0.001 0.000 0.217 383 G HA3 0.110 4.070 3.960 -0.001 0.000 0.217 383 G C 0.516 175.322 174.900 -0.157 0.000 1.159 383 G CA -0.158 44.910 45.100 -0.053 0.000 0.760 383 G HN 0.073 nan 8.290 nan 0.000 0.550 384 V N 1.095 120.921 119.914 -0.146 0.000 2.583 384 V HA 0.423 4.543 4.120 -0.001 0.000 0.287 384 V C -0.115 175.831 176.094 -0.248 0.000 1.051 384 V CA -0.348 61.800 62.300 -0.252 0.000 1.010 384 V CB 1.561 33.313 31.823 -0.119 0.000 0.988 384 V HN -0.049 nan 8.190 nan 0.000 0.478 385 V N 5.480 125.101 119.914 -0.488 0.000 2.709 385 V HA 0.574 4.694 4.120 -0.001 0.000 0.308 385 V C -0.200 175.693 176.094 -0.334 0.000 1.062 385 V CA -0.871 61.150 62.300 -0.465 0.000 0.901 385 V CB 2.143 33.478 31.823 -0.814 0.000 1.003 385 V HN 0.877 nan 8.190 nan 0.000 0.425 386 R N 4.125 124.585 120.500 -0.067 0.000 2.480 386 R HA 0.709 5.048 4.340 -0.001 0.000 0.306 386 R C -1.639 174.744 176.300 0.137 0.000 0.958 386 R CA -0.570 55.582 56.100 0.087 0.000 0.861 386 R CB 1.406 31.790 30.300 0.140 0.000 1.171 386 R HN 0.732 nan 8.270 nan 0.000 0.445 387 I N 2.611 123.298 120.570 0.196 0.000 2.362 387 I HA 0.171 4.341 4.170 -0.001 0.000 0.289 387 I C -0.060 176.140 176.117 0.138 0.000 0.994 387 I CA -0.623 60.781 61.300 0.174 0.000 1.158 387 I CB 2.043 40.170 38.000 0.211 0.000 1.315 387 I HN 0.495 nan 8.210 nan 0.000 0.451 388 S N 5.893 121.650 115.700 0.093 0.000 2.438 388 S HA 0.469 4.939 4.470 -0.001 0.000 0.293 388 S C -0.457 174.172 174.600 0.047 0.000 1.141 388 S CA -0.525 57.706 58.200 0.052 0.000 1.080 388 S CB 0.718 63.927 63.200 0.016 0.000 0.978 388 S HN 0.330 nan 8.310 nan 0.000 0.479 389 V N 5.789 125.734 119.914 0.052 0.000 2.407 389 V HA 0.597 4.716 4.120 -0.001 0.000 0.278 389 V C 1.200 177.326 176.094 0.054 0.000 1.037 389 V CA -0.051 62.281 62.300 0.054 0.000 0.900 389 V CB 0.921 32.779 31.823 0.058 0.000 0.983 389 V HN 0.996 nan 8.190 nan 0.000 0.459 390 G N 3.116 111.945 108.800 0.047 0.000 3.019 390 G HA2 0.498 4.457 3.960 -0.001 0.000 0.152 390 G HA3 0.498 4.457 3.960 -0.001 0.000 0.152 390 G C 0.285 175.225 174.900 0.066 0.000 1.320 390 G CA -0.586 44.538 45.100 0.040 0.000 1.013 390 G HN 0.564 nan 8.290 nan 0.000 0.593 391 L N 0.200 121.429 121.223 0.011 0.000 2.693 391 L HA 0.280 4.620 4.340 -0.001 0.000 0.235 391 L C 0.219 177.066 176.870 -0.039 0.000 1.127 391 L CA -0.061 54.742 54.840 -0.062 0.000 0.914 391 L CB 0.121 42.075 42.059 -0.174 0.000 1.193 391 L HN 0.331 nan 8.230 nan 0.000 0.502 392 E N 0.644 120.852 120.200 0.014 0.000 2.422 392 E HA -0.047 4.303 4.350 -0.001 0.000 0.260 392 E C 0.135 176.773 176.600 0.063 0.000 1.108 392 E CA -0.109 56.303 56.400 0.019 0.000 0.943 392 E CB 0.333 30.038 29.700 0.009 0.000 0.961 392 E HN 0.008 nan 8.360 nan 0.000 0.443 393 D N 0.918 121.343 120.400 0.041 0.000 2.531 393 D HA -0.086 4.554 4.640 -0.001 0.000 0.239 393 D C 0.240 176.551 176.300 0.018 0.000 1.144 393 D CA 0.366 54.392 54.000 0.044 0.000 0.869 393 D CB 0.808 41.617 40.800 0.015 0.000 1.160 393 D HN 0.359 nan 8.370 nan 0.000 0.484 394 T N 3.300 117.860 114.554 0.010 0.000 2.759 394 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 394 T C 1.127 175.782 174.700 -0.076 0.000 1.042 394 T CA 1.006 63.085 62.100 -0.035 0.000 1.140 394 T CB 0.063 68.895 68.868 -0.060 0.000 0.864 394 T HN 0.498 nan 8.240 nan 0.000 0.455 395 D N 0.992 121.351 120.400 -0.069 0.000 2.194 395 D HA -0.054 4.586 4.640 -0.001 0.000 0.204 395 D C 1.785 178.029 176.300 -0.094 0.000 0.964 395 D CA 0.701 54.643 54.000 -0.097 0.000 0.846 395 D CB -0.245 40.511 40.800 -0.072 0.000 0.962 395 D HN 0.303 nan 8.370 nan 0.000 0.490 396 D N 0.711 121.076 120.400 -0.059 0.000 2.117 396 D HA -0.092 4.547 4.640 -0.001 0.000 0.197 396 D C 2.380 178.644 176.300 -0.061 0.000 0.987 396 D CA 0.471 54.441 54.000 -0.049 0.000 0.829 396 D CB -0.183 40.601 40.800 -0.026 0.000 0.961 396 D HN 0.252 nan 8.370 nan 0.000 0.460 397 L N 0.336 121.520 121.223 -0.065 0.000 2.023 397 L HA -0.076 4.263 4.340 -0.001 0.000 0.205 397 L C 2.576 179.371 176.870 -0.125 0.000 1.073 397 L CA 0.629 55.429 54.840 -0.066 0.000 0.745 397 L CB -0.354 41.679 42.059 -0.042 0.000 0.900 397 L HN -0.022 nan 8.230 nan 0.000 0.435 398 I N 0.282 120.722 120.570 -0.217 0.000 2.248 398 I HA -0.350 3.819 4.170 -0.001 0.000 0.248 398 I C 2.801 178.698 176.117 -0.368 0.000 1.107 398 I CA 1.307 62.338 61.300 -0.449 0.000 1.373 398 I CB -0.516 37.106 38.000 -0.629 0.000 1.055 398 I HN 0.252 nan 8.210 nan 0.000 0.418 399 A N 0.240 122.934 122.820 -0.209 0.000 1.902 399 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 399 A C 2.020 179.567 177.584 -0.061 0.000 1.181 399 A CA 2.233 54.200 52.037 -0.116 0.000 0.623 399 A CB -0.634 18.319 19.000 -0.077 0.000 0.818 399 A HN 0.411 nan 8.150 nan 0.000 0.443 400 D N -0.164 120.204 120.400 -0.054 0.000 2.117 400 D HA -0.094 4.545 4.640 -0.001 0.000 0.198 400 D C 1.723 178.022 176.300 -0.002 0.000 0.982 400 D CA 1.292 55.281 54.000 -0.019 0.000 0.828 400 D CB -0.199 40.593 40.800 -0.014 0.000 0.967 400 D HN 0.493 nan 8.370 nan 0.000 0.464 401 I N -0.001 120.560 120.570 -0.014 0.000 2.286 401 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 401 I C 2.031 178.185 176.117 0.062 0.000 1.104 401 I CA 1.013 62.328 61.300 0.025 0.000 1.397 401 I CB -0.249 37.774 38.000 0.038 0.000 1.072 401 I HN -0.021 nan 8.210 nan 0.000 0.417 402 D N 0.928 121.387 120.400 0.100 0.000 2.104 402 D HA -0.199 4.441 4.640 -0.001 0.000 0.194 402 D C 2.245 178.628 176.300 0.138 0.000 0.994 402 D CA 1.487 55.624 54.000 0.228 0.000 0.830 402 D CB 0.112 41.063 40.800 0.251 0.000 0.959 402 D HN -0.033 nan 8.370 nan 0.000 0.452 403 R N 0.287 120.831 120.500 0.075 0.000 2.096 403 R HA 0.146 4.485 4.340 -0.001 0.000 0.235 403 R C 2.181 178.512 176.300 0.051 0.000 1.127 403 R CA 1.190 57.324 56.100 0.057 0.000 0.968 403 R CB -1.160 29.160 30.300 0.033 0.000 0.861 403 R HN 0.236 nan 8.270 nan 0.000 0.440 404 A N 0.324 123.170 122.820 0.043 0.000 1.930 404 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 404 A C 2.097 179.706 177.584 0.041 0.000 1.175 404 A CA 1.132 53.194 52.037 0.041 0.000 0.627 404 A CB -0.456 18.571 19.000 0.045 0.000 0.815 404 A HN 0.228 nan 8.150 nan 0.000 0.443 405 L N -0.539 120.698 121.223 0.023 0.000 2.240 405 L HA 0.017 4.357 4.340 -0.001 0.000 0.211 405 L C 0.984 177.901 176.870 0.078 0.000 1.106 405 L CA 0.212 55.053 54.840 0.002 0.000 0.793 405 L CB -0.123 41.811 42.059 -0.209 0.000 0.927 405 L HN 0.220 nan 8.230 nan 0.000 0.446 406 S N 0.000 115.761 115.700 0.101 0.000 2.498 406 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 406 S CA 0.000 58.261 58.200 0.102 0.000 1.107 406 S CB 0.000 63.273 63.200 0.121 0.000 0.593 406 S HN 0.000 nan 8.310 nan 0.000 0.517