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 3ds6_1_D DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.641 176.600 0.068 0.000 1.382 4 E CA 0.000 56.427 56.400 0.044 0.000 0.976 4 E CB 0.000 29.724 29.700 0.040 0.000 0.812 5 R N 1.877 122.422 120.500 0.075 0.000 3.737 5 R HA 0.236 4.576 4.340 -0.000 0.000 0.240 5 R C -2.592 173.767 176.300 0.099 0.000 1.044 5 R CA -0.828 55.347 56.100 0.126 0.000 1.164 5 R CB 0.706 31.109 30.300 0.172 0.000 1.244 5 R HN 0.270 nan 8.270 nan 0.000 0.537 6 P HA 0.134 nan 4.420 nan 0.000 0.272 6 P C -0.638 176.637 177.300 -0.043 0.000 1.254 6 P CA -0.146 62.895 63.100 -0.100 0.000 0.795 6 P CB 0.479 31.994 31.700 -0.309 0.000 1.022 7 T N 1.132 115.630 114.554 -0.092 0.000 2.727 7 T HA 0.337 4.687 4.350 -0.000 0.000 0.298 7 T C -0.156 174.536 174.700 -0.013 0.000 0.942 7 T CA 0.030 62.142 62.100 0.021 0.000 0.997 7 T CB -0.577 68.296 68.868 0.009 0.000 0.917 7 T HN 0.110 nan 8.240 nan 0.000 0.487 8 F N 4.325 124.289 119.950 0.022 0.000 2.427 8 F HA 0.430 4.957 4.527 -0.000 0.000 0.352 8 F C 0.410 176.288 175.800 0.130 0.000 1.100 8 F CA -0.910 57.107 58.000 0.028 0.000 1.191 8 F CB 0.420 39.382 39.000 -0.063 0.000 1.128 8 F HN 0.539 nan 8.300 nan 0.000 0.533 9 Y N 0.548 120.912 120.300 0.107 0.000 2.650 9 Y HA 0.913 5.463 4.550 -0.000 0.000 0.331 9 Y C -0.735 175.246 175.900 0.134 0.000 1.082 9 Y CA -2.212 55.944 58.100 0.094 0.000 1.171 9 Y CB 1.004 39.490 38.460 0.044 0.000 1.326 9 Y HN 0.495 nan 8.280 nan 0.000 0.513 10 R N 0.417 120.990 120.500 0.123 0.000 2.836 10 R HA 0.627 4.967 4.340 -0.000 0.000 0.269 10 R C -1.615 174.746 176.300 0.101 0.000 1.010 10 R CA -1.126 55.006 56.100 0.054 0.000 0.930 10 R CB 2.597 32.957 30.300 0.101 0.000 1.218 10 R HN 0.903 nan 8.270 nan 0.000 0.473 11 Q N -0.265 119.591 119.800 0.093 0.000 2.666 11 Q HA 0.191 4.531 4.340 -0.000 0.000 0.276 11 Q C -1.570 174.480 176.000 0.083 0.000 0.952 11 Q CA -0.969 54.886 55.803 0.088 0.000 0.850 11 Q CB 1.627 30.413 28.738 0.079 0.000 1.512 11 Q HN 0.531 nan 8.270 nan 0.000 0.395 12 E N 2.523 122.755 120.200 0.052 0.000 1.941 12 E HA 0.290 4.640 4.350 -0.000 0.000 0.275 12 E C -1.182 175.392 176.600 -0.043 0.000 1.113 12 E CA -0.200 56.226 56.400 0.043 0.000 0.878 12 E CB 0.430 30.153 29.700 0.039 0.000 1.070 12 E HN 0.474 nan 8.360 nan 0.000 0.399 13 L N 4.378 125.515 121.223 -0.142 0.000 2.296 13 L HA 0.316 4.656 4.340 -0.000 0.000 0.286 13 L C 0.209 176.895 176.870 -0.307 0.000 1.023 13 L CA -0.537 54.068 54.840 -0.393 0.000 0.812 13 L CB 0.986 42.485 42.059 -0.933 0.000 1.223 13 L HN 0.671 nan 8.230 nan 0.000 0.421 14 N N 3.707 122.298 118.700 -0.181 0.000 2.708 14 N HA -0.176 4.564 4.740 -0.000 0.000 0.255 14 N C -0.456 175.076 175.510 0.037 0.000 1.046 14 N CA 0.077 53.094 53.050 -0.056 0.000 0.715 14 N CB -0.433 38.044 38.487 -0.017 0.000 0.895 14 N HN 0.583 nan 8.380 nan 0.000 0.545 15 K N -2.926 117.487 120.400 0.021 0.000 2.975 15 K HA -0.245 4.075 4.320 -0.000 0.000 0.257 15 K C 0.102 176.755 176.600 0.089 0.000 1.005 15 K CA 1.974 58.288 56.287 0.045 0.000 0.738 15 K CB -2.496 30.021 32.500 0.029 0.000 1.236 15 K HN 0.810 nan 8.250 nan 0.000 0.483 16 T N -2.937 111.710 114.554 0.155 0.000 2.932 16 T HA 0.515 4.865 4.350 -0.000 0.000 0.318 16 T C -0.323 174.559 174.700 0.303 0.000 1.265 16 T CA -1.137 61.089 62.100 0.211 0.000 1.036 16 T CB 2.286 71.298 68.868 0.241 0.000 1.209 16 T HN 0.134 nan 8.240 nan 0.000 0.484 17 I N 2.644 123.355 120.570 0.236 0.000 2.396 17 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 17 I C -1.283 175.062 176.117 0.379 0.000 1.056 17 I CA -0.693 60.753 61.300 0.245 0.000 1.365 17 I CB 0.040 38.127 38.000 0.146 0.000 1.407 17 I HN 0.766 nan 8.210 nan 0.000 0.509 18 W N 7.322 128.679 121.300 0.095 0.000 2.349 18 W HA 0.390 5.050 4.660 -0.000 0.000 0.309 18 W C 0.328 176.880 176.519 0.056 0.000 1.083 18 W CA -0.587 56.860 57.345 0.170 0.000 1.224 18 W CB 0.552 30.114 29.460 0.170 0.000 1.256 18 W HN 0.460 nan 8.180 nan 0.000 0.461 19 E N 3.493 123.818 120.200 0.210 0.000 2.081 19 E HA 0.403 4.753 4.350 -0.000 0.000 0.276 19 E C -0.911 175.690 176.600 0.001 0.000 0.950 19 E CA -0.341 56.105 56.400 0.076 0.000 0.776 19 E CB 0.922 30.665 29.700 0.072 0.000 1.094 19 E HN 0.358 nan 8.360 nan 0.000 0.402 20 V N 1.944 121.801 119.914 -0.096 0.000 2.876 20 V HA 0.679 4.799 4.120 -0.000 0.000 0.312 20 V C -2.732 173.081 176.094 -0.469 0.000 1.085 20 V CA -2.631 59.525 62.300 -0.241 0.000 0.945 20 V CB 1.822 33.615 31.823 -0.050 0.000 1.017 20 V HN 0.477 nan 8.190 nan 0.000 0.428 21 P HA 0.151 nan 4.420 nan 0.000 0.271 21 P C 0.582 177.711 177.300 -0.286 0.000 1.216 21 P CA 0.161 62.615 63.100 -1.077 0.000 0.776 21 P CB 0.788 31.700 31.700 -1.314 0.000 0.881 22 E N 3.497 123.623 120.200 -0.124 0.000 2.396 22 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 22 E C 1.759 178.273 176.600 -0.144 0.000 1.023 22 E CA 0.474 56.836 56.400 -0.064 0.000 0.857 22 E CB -0.441 29.131 29.700 -0.213 0.000 0.775 22 E HN 0.398 nan 8.360 nan 0.000 0.525 23 R N 0.614 120.929 120.500 -0.308 0.000 2.139 23 R HA -0.145 4.195 4.340 -0.000 0.000 0.243 23 R C -0.147 175.951 176.300 -0.337 0.000 1.145 23 R CA 1.035 56.883 56.100 -0.420 0.000 0.976 23 R CB -0.062 29.810 30.300 -0.713 0.000 0.866 23 R HN 0.186 nan 8.270 nan 0.000 0.449 24 Y N 1.301 121.656 120.300 0.091 0.000 2.417 24 Y HA 0.348 4.898 4.550 -0.000 0.000 0.336 24 Y C 0.065 176.098 175.900 0.222 0.000 0.961 24 Y CA -0.987 57.217 58.100 0.174 0.000 1.215 24 Y CB 1.124 39.704 38.460 0.201 0.000 1.120 24 Y HN -0.026 nan 8.280 nan 0.000 0.499 25 Q N 1.097 121.079 119.800 0.304 0.000 2.364 25 Q HA 0.308 4.648 4.340 -0.000 0.000 0.204 25 Q C 0.108 176.245 176.000 0.228 0.000 1.002 25 Q CA -0.803 55.124 55.803 0.206 0.000 1.012 25 Q CB 0.569 29.308 28.738 0.002 0.000 1.188 25 Q HN 0.632 nan 8.270 nan 0.000 0.522 26 N N 0.605 119.394 118.700 0.149 0.000 2.696 26 N HA -0.227 4.513 4.740 -0.000 0.000 0.271 26 N C -0.810 174.781 175.510 0.135 0.000 0.997 26 N CA 0.505 53.633 53.050 0.131 0.000 0.801 26 N CB -1.084 37.487 38.487 0.140 0.000 0.913 26 N HN 0.381 nan 8.380 nan 0.000 0.557 27 L N 0.736 122.034 121.223 0.125 0.000 2.367 27 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 27 L C 0.595 177.451 176.870 -0.024 0.000 1.129 27 L CA 0.350 55.223 54.840 0.054 0.000 0.839 27 L CB 0.818 42.889 42.059 0.021 0.000 1.133 27 L HN 0.120 nan 8.230 nan 0.000 0.453 28 S N 4.269 119.940 115.700 -0.047 0.000 2.619 28 S HA 0.398 4.868 4.470 -0.000 0.000 0.280 28 S C -2.542 172.000 174.600 -0.096 0.000 1.150 28 S CA -0.954 57.207 58.200 -0.066 0.000 0.978 28 S CB 2.170 65.358 63.200 -0.020 0.000 1.041 28 S HN 0.372 nan 8.310 nan 0.000 0.485 29 P HA 0.124 nan 4.420 nan 0.000 0.271 29 P C 0.541 177.808 177.300 -0.055 0.000 1.220 29 P CA -0.227 62.802 63.100 -0.118 0.000 0.768 29 P CB 0.474 32.095 31.700 -0.133 0.000 0.848 30 V N 2.030 121.927 119.914 -0.028 0.000 3.816 30 V HA 0.320 4.440 4.120 -0.000 0.000 0.281 30 V C 1.611 177.708 176.094 0.005 0.000 1.027 30 V CA 0.869 63.168 62.300 -0.002 0.000 1.032 30 V CB -1.089 30.749 31.823 0.026 0.000 1.226 30 V HN 0.638 nan 8.190 nan 0.000 0.448 31 G N -0.479 108.333 108.800 0.021 0.000 2.624 31 G HA2 0.021 3.981 3.960 -0.000 0.000 0.216 31 G HA3 0.021 3.981 3.960 -0.000 0.000 0.216 31 G C 0.943 175.853 174.900 0.016 0.000 1.274 31 G CA 0.630 45.739 45.100 0.015 0.000 0.856 31 G HN 0.968 nan 8.290 nan 0.000 0.555 32 S N 0.323 116.049 115.700 0.043 0.000 2.558 32 S HA 0.331 4.801 4.470 -0.000 0.000 0.287 32 S C 1.376 175.953 174.600 -0.039 0.000 1.321 32 S CA 0.411 58.602 58.200 -0.015 0.000 1.048 32 S CB 0.901 64.088 63.200 -0.021 0.000 0.844 32 S HN 0.553 nan 8.310 nan 0.000 0.512 33 G N 1.977 110.713 108.800 -0.107 0.000 3.233 33 G HA2 0.385 4.345 3.960 -0.000 0.000 0.234 33 G HA3 0.385 4.345 3.960 -0.000 0.000 0.234 33 G C 0.997 175.790 174.900 -0.177 0.000 1.137 33 G CA 0.353 45.394 45.100 -0.100 0.000 0.763 33 G HN 0.813 nan 8.290 nan 0.000 0.549 34 A N 0.055 122.674 122.820 -0.336 0.000 2.167 34 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 34 A C 1.471 178.716 177.584 -0.566 0.000 1.151 34 A CA 0.514 52.259 52.037 -0.486 0.000 0.735 34 A CB -0.255 18.374 19.000 -0.619 0.000 0.802 34 A HN 0.361 nan 8.150 nan 0.000 0.467 35 Y N -0.369 119.889 120.300 -0.069 0.000 2.468 35 Y HA 0.423 4.973 4.550 -0.000 0.000 0.268 35 Y C 1.518 177.374 175.900 -0.073 0.000 1.177 35 Y CA -0.126 57.931 58.100 -0.072 0.000 1.265 35 Y CB -0.327 38.098 38.460 -0.058 0.000 1.103 35 Y HN 0.448 nan 8.280 nan 0.000 0.522 36 G N -0.169 108.627 108.800 -0.007 0.000 2.610 36 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.304 36 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.304 36 G C -0.431 174.492 174.900 0.037 0.000 1.309 36 G CA -0.502 44.590 45.100 -0.014 0.000 0.906 36 G HN 0.115 nan 8.290 nan 0.000 0.521 37 S N -0.114 115.618 115.700 0.053 0.000 2.670 37 S HA 0.456 4.926 4.470 -0.000 0.000 0.328 37 S C 0.374 175.124 174.600 0.249 0.000 1.179 37 S CA 0.189 58.484 58.200 0.159 0.000 1.194 37 S CB -0.858 62.472 63.200 0.217 0.000 1.359 37 S HN 1.286 nan 8.310 nan 0.000 0.555 38 V N 4.716 124.734 119.914 0.174 0.000 2.715 38 V HA 0.633 4.753 4.120 -0.000 0.000 0.310 38 V C 0.079 176.225 176.094 0.086 0.000 1.054 38 V CA -0.802 61.600 62.300 0.170 0.000 0.928 38 V CB 1.776 33.664 31.823 0.109 0.000 1.007 38 V HN 0.838 nan 8.190 nan 0.000 0.437 39 C N 1.842 121.195 119.300 0.089 0.000 3.171 39 C HA 0.905 5.365 4.460 -0.000 0.000 0.308 39 C C 0.058 175.053 174.990 0.010 0.000 1.334 39 C CA -0.865 58.139 59.018 -0.024 0.000 1.473 39 C CB 1.843 29.477 27.740 -0.176 0.000 1.866 39 C HN 1.020 nan 8.230 nan 0.000 0.465 40 A N 1.110 123.924 122.820 -0.009 0.000 2.310 40 A HA 0.857 5.177 4.320 -0.000 0.000 0.304 40 A C -0.319 177.291 177.584 0.043 0.000 1.231 40 A CA -0.002 52.036 52.037 0.001 0.000 0.799 40 A CB 0.519 19.507 19.000 -0.020 0.000 1.162 40 A HN 1.407 nan 8.150 nan 0.000 0.486 41 A N 1.819 124.688 122.820 0.081 0.000 2.346 41 A HA 0.829 5.149 4.320 -0.000 0.000 0.313 41 A C -0.927 176.799 177.584 0.236 0.000 1.140 41 A CA -0.587 51.556 52.037 0.177 0.000 0.826 41 A CB 0.881 20.021 19.000 0.233 0.000 1.332 41 A HN 1.101 nan 8.150 nan 0.000 0.457 42 F N 1.114 121.147 119.950 0.139 0.000 2.385 42 F HA 0.350 4.877 4.527 -0.000 0.000 0.360 42 F C -0.172 175.745 175.800 0.194 0.000 1.122 42 F CA -0.623 57.453 58.000 0.127 0.000 1.090 42 F CB 0.814 39.864 39.000 0.083 0.000 1.150 42 F HN 0.582 nan 8.300 nan 0.000 0.472 43 D N 4.701 125.424 120.400 0.538 0.000 2.468 43 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 43 D C 1.353 177.889 176.300 0.395 0.000 1.155 43 D CA -0.068 54.218 54.000 0.476 0.000 0.924 43 D CB 1.061 42.144 40.800 0.472 0.000 1.029 43 D HN 0.685 nan 8.370 nan 0.000 0.515 44 T N 1.370 116.096 114.554 0.286 0.000 2.699 44 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 44 T C 1.194 175.960 174.700 0.111 0.000 1.036 44 T CA 0.983 63.182 62.100 0.165 0.000 1.147 44 T CB -0.213 68.638 68.868 -0.028 0.000 0.862 44 T HN 0.337 nan 8.240 nan 0.000 0.446 45 K N 1.459 121.881 120.400 0.036 0.000 2.968 45 K HA 0.256 4.576 4.320 -0.000 0.000 0.249 45 K C 0.424 177.061 176.600 0.061 0.000 1.062 45 K CA 0.228 56.524 56.287 0.014 0.000 1.215 45 K CB 0.017 32.482 32.500 -0.058 0.000 1.097 45 K HN 0.378 nan 8.250 nan 0.000 0.462 46 T N -2.292 112.328 114.554 0.109 0.000 3.352 46 T HA 0.092 4.442 4.350 -0.000 0.000 0.269 46 T C 1.018 175.784 174.700 0.110 0.000 0.841 46 T CA 0.242 62.411 62.100 0.115 0.000 0.894 46 T CB 0.683 69.645 68.868 0.156 0.000 1.238 46 T HN 0.431 nan 8.240 nan 0.000 0.586 47 G N 1.717 110.603 108.800 0.143 0.000 3.586 47 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 47 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 47 G C -0.027 174.860 174.900 -0.022 0.000 1.411 47 G CA 0.029 45.193 45.100 0.108 0.000 0.898 47 G HN 0.533 nan 8.290 nan 0.000 0.575 48 L N 2.195 123.420 121.223 0.002 0.000 2.436 48 L HA 0.497 4.837 4.340 -0.000 0.000 0.265 48 L C 1.347 178.167 176.870 -0.085 0.000 1.168 48 L CA -0.800 54.020 54.840 -0.033 0.000 0.815 48 L CB 0.678 42.815 42.059 0.129 0.000 1.109 48 L HN 0.408 nan 8.230 nan 0.000 0.462 49 R N 1.339 121.728 120.500 -0.185 0.000 2.679 49 R HA 0.429 4.769 4.340 -0.000 0.000 0.269 49 R C -0.568 175.684 176.300 -0.080 0.000 1.076 49 R CA -0.425 55.570 56.100 -0.175 0.000 1.160 49 R CB 0.717 30.890 30.300 -0.211 0.000 1.054 49 R HN 0.478 nan 8.270 nan 0.000 0.507 50 V N -2.801 117.097 119.914 -0.027 0.000 3.105 50 V HA 0.911 5.031 4.120 -0.000 0.000 0.311 50 V C -1.074 174.989 176.094 -0.052 0.000 1.287 50 V CA -1.290 60.993 62.300 -0.029 0.000 1.066 50 V CB 1.901 33.758 31.823 0.057 0.000 1.105 50 V HN 0.837 nan 8.190 nan 0.000 0.462 51 A N 0.446 123.233 122.820 -0.056 0.000 2.330 51 A HA 0.886 5.206 4.320 -0.000 0.000 0.313 51 A C -0.846 176.716 177.584 -0.036 0.000 1.124 51 A CA -0.633 51.376 52.037 -0.046 0.000 0.774 51 A CB 1.518 20.475 19.000 -0.071 0.000 1.198 51 A HN 1.439 nan 8.150 nan 0.000 0.465 52 V N 1.863 121.793 119.914 0.026 0.000 2.555 52 V HA 0.596 4.716 4.120 -0.000 0.000 0.302 52 V C -0.013 176.175 176.094 0.156 0.000 1.038 52 V CA -0.735 61.605 62.300 0.067 0.000 0.887 52 V CB 1.673 33.622 31.823 0.210 0.000 0.991 52 V HN 0.894 nan 8.190 nan 0.000 0.434 53 K N 3.559 123.967 120.400 0.013 0.000 2.502 53 K HA 0.466 4.786 4.320 -0.000 0.000 0.254 53 K C -0.681 175.763 176.600 -0.259 0.000 0.947 53 K CA -0.689 55.584 56.287 -0.024 0.000 0.834 53 K CB 1.632 34.090 32.500 -0.070 0.000 1.112 53 K HN 0.728 nan 8.250 nan 0.000 0.427 54 K N 4.449 124.617 120.400 -0.385 0.000 2.218 54 K HA 0.265 4.585 4.320 -0.000 0.000 0.276 54 K C -0.824 175.453 176.600 -0.538 0.000 1.022 54 K CA -0.422 55.349 56.287 -0.860 0.000 0.946 54 K CB 0.679 32.420 32.500 -1.265 0.000 1.000 54 K HN 0.556 nan 8.250 nan 0.000 0.468 55 L N 3.380 124.237 121.223 -0.610 0.000 2.408 55 L HA 0.199 4.539 4.340 -0.000 0.000 0.257 55 L C -0.322 176.282 176.870 -0.443 0.000 1.053 55 L CA -0.407 54.171 54.840 -0.436 0.000 0.922 55 L CB 1.484 43.298 42.059 -0.408 0.000 1.261 55 L HN 0.580 nan 8.230 nan 0.000 0.458 56 S N 2.262 117.754 115.700 -0.348 0.000 2.586 56 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 56 S C 0.588 175.070 174.600 -0.195 0.000 1.281 56 S CA -0.325 57.713 58.200 -0.270 0.000 1.035 56 S CB 0.444 63.530 63.200 -0.190 0.000 0.962 56 S HN 0.678 nan 8.310 nan 0.000 0.512 57 R N 1.211 121.614 120.500 -0.162 0.000 3.188 57 R HA -0.107 4.233 4.340 -0.000 0.000 0.247 57 R C -2.137 174.093 176.300 -0.117 0.000 0.918 57 R CA 0.684 56.716 56.100 -0.114 0.000 0.629 57 R CB -1.480 28.776 30.300 -0.073 0.000 1.087 57 R HN 0.596 nan 8.270 nan 0.000 0.462 58 P HA -0.068 nan 4.420 nan 0.000 0.235 58 P C 0.209 177.135 177.300 -0.623 0.000 1.177 58 P CA 1.004 63.765 63.100 -0.565 0.000 0.785 58 P CB 0.292 31.412 31.700 -0.967 0.000 0.885 59 F N -0.302 119.650 119.950 0.004 0.000 2.850 59 F HA 0.389 4.916 4.527 -0.000 0.000 0.329 59 F C 2.062 177.838 175.800 -0.040 0.000 1.182 59 F CA -0.495 57.518 58.000 0.022 0.000 1.270 59 F CB -0.292 38.724 39.000 0.027 0.000 0.979 59 F HN -0.250 nan 8.300 nan 0.000 0.506 60 Q N 0.738 120.502 119.800 -0.059 0.000 2.002 60 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 60 Q C 1.096 177.034 176.000 -0.104 0.000 0.988 60 Q CA 1.855 57.550 55.803 -0.180 0.000 0.843 60 Q CB -0.020 28.425 28.738 -0.488 0.000 0.908 60 Q HN 0.506 nan 8.270 nan 0.000 0.420 61 S N -1.795 113.833 115.700 -0.120 0.000 2.751 61 S HA 0.351 4.821 4.470 -0.000 0.000 0.310 61 S C 0.936 175.579 174.600 0.072 0.000 1.128 61 S CA -0.826 57.369 58.200 -0.009 0.000 0.931 61 S CB 0.690 63.872 63.200 -0.030 0.000 1.177 61 S HN 0.196 nan 8.310 nan 0.000 0.530 62 I N 0.424 121.036 120.570 0.071 0.000 2.264 62 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 62 I C 1.772 177.829 176.117 -0.100 0.000 1.111 62 I CA 1.151 62.474 61.300 0.038 0.000 1.382 62 I CB -0.533 37.529 38.000 0.103 0.000 1.060 62 I HN 0.541 nan 8.210 nan 0.000 0.418 63 I N 0.310 120.871 120.570 -0.015 0.000 2.099 63 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 63 I C 2.519 178.622 176.117 -0.024 0.000 1.066 63 I CA 1.874 63.158 61.300 -0.026 0.000 1.324 63 I CB -0.912 37.123 38.000 0.057 0.000 1.037 63 I HN 0.148 nan 8.210 nan 0.000 0.401 64 H N 0.377 119.385 119.070 -0.104 0.000 2.352 64 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 64 H C 2.168 177.423 175.328 -0.122 0.000 1.097 64 H CA 1.391 57.365 56.048 -0.124 0.000 1.311 64 H CB -0.716 28.978 29.762 -0.114 0.000 1.377 64 H HN 0.364 nan 8.280 nan 0.000 0.504 65 A N 1.723 124.595 122.820 0.087 0.000 1.849 65 A HA -0.322 3.998 4.320 -0.000 0.000 0.216 65 A C 2.272 179.816 177.584 -0.066 0.000 1.225 65 A CA 2.685 54.816 52.037 0.158 0.000 0.653 65 A CB -0.660 18.403 19.000 0.104 0.000 0.844 65 A HN 0.626 nan 8.150 nan 0.000 0.453 66 K N -0.585 119.457 120.400 -0.596 0.000 2.074 66 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 66 K C 2.244 178.739 176.600 -0.175 0.000 1.048 66 K CA 1.596 57.470 56.287 -0.688 0.000 0.926 66 K CB -0.418 31.388 32.500 -1.157 0.000 0.713 66 K HN 0.427 nan 8.250 nan 0.000 0.444 67 R N 1.007 121.405 120.500 -0.170 0.000 2.083 67 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 67 R C 2.056 178.300 176.300 -0.093 0.000 1.137 67 R CA 2.345 58.372 56.100 -0.121 0.000 0.951 67 R CB -0.505 29.688 30.300 -0.178 0.000 0.851 67 R HN 0.337 nan 8.270 nan 0.000 0.434 68 T N 0.026 114.523 114.554 -0.094 0.000 2.746 68 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 68 T C 1.363 176.095 174.700 0.053 0.000 1.039 68 T CA 1.571 63.620 62.100 -0.085 0.000 1.142 68 T CB -0.496 68.254 68.868 -0.196 0.000 0.866 68 T HN 0.368 nan 8.240 nan 0.000 0.444 69 Y N 2.138 122.471 120.300 0.055 0.000 2.114 69 Y HA -0.090 4.460 4.550 -0.000 0.000 0.284 69 Y C 2.663 178.565 175.900 0.003 0.000 1.143 69 Y CA 1.477 59.636 58.100 0.099 0.000 1.135 69 Y CB -0.292 38.297 38.460 0.214 0.000 0.980 69 Y HN -0.020 nan 8.280 nan 0.000 0.499 70 R N 0.320 120.774 120.500 -0.076 0.000 2.189 70 R HA -0.146 4.194 4.340 -0.000 0.000 0.223 70 R C 2.115 178.378 176.300 -0.060 0.000 1.092 70 R CA 1.494 57.570 56.100 -0.038 0.000 0.989 70 R CB -0.255 30.202 30.300 0.262 0.000 0.876 70 R HN 0.512 nan 8.270 nan 0.000 0.457 71 E N -0.037 120.104 120.200 -0.097 0.000 2.152 71 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 71 E C 1.712 178.237 176.600 -0.126 0.000 0.983 71 E CA 0.691 57.010 56.400 -0.135 0.000 0.818 71 E CB 0.096 29.706 29.700 -0.150 0.000 0.758 71 E HN 0.256 nan 8.360 nan 0.000 0.467 72 L N 0.800 121.949 121.223 -0.123 0.000 2.068 72 L HA 0.013 4.353 4.340 -0.000 0.000 0.204 72 L C 2.090 178.913 176.870 -0.078 0.000 1.076 72 L CA 1.515 56.292 54.840 -0.105 0.000 0.753 72 L CB -0.273 41.736 42.059 -0.083 0.000 0.910 72 L HN -0.069 nan 8.230 nan 0.000 0.439 73 R N -0.678 119.724 120.500 -0.163 0.000 2.105 73 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 73 R C 2.276 178.695 176.300 0.198 0.000 1.135 73 R CA 1.779 57.841 56.100 -0.064 0.000 0.967 73 R CB -0.524 29.606 30.300 -0.283 0.000 0.861 73 R HN 0.384 nan 8.270 nan 0.000 0.442 74 L N 0.309 121.633 121.223 0.169 0.000 2.017 74 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 74 L C 2.323 179.359 176.870 0.277 0.000 1.073 74 L CA 1.144 56.117 54.840 0.223 0.000 0.745 74 L CB -0.319 41.762 42.059 0.037 0.000 0.894 74 L HN 0.171 nan 8.230 nan 0.000 0.432 75 L N -0.513 120.798 121.223 0.147 0.000 2.131 75 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 75 L C 2.560 179.553 176.870 0.204 0.000 1.092 75 L CA 1.527 56.462 54.840 0.159 0.000 0.759 75 L CB -0.319 41.762 42.059 0.036 0.000 0.903 75 L HN 0.151 nan 8.230 nan 0.000 0.435 76 K N -1.694 118.831 120.400 0.207 0.000 2.062 76 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 76 K C 2.122 178.880 176.600 0.263 0.000 1.051 76 K CA 0.722 57.158 56.287 0.249 0.000 0.941 76 K CB -0.228 32.408 32.500 0.227 0.000 0.719 76 K HN 0.281 nan 8.250 nan 0.000 0.440 77 H N 0.074 119.283 119.070 0.231 0.000 2.518 77 H HA 0.016 4.572 4.556 -0.000 0.000 0.289 77 H C -0.168 175.324 175.328 0.274 0.000 1.051 77 H CA 0.810 57.019 56.048 0.269 0.000 1.280 77 H CB 0.267 30.271 29.762 0.404 0.000 1.380 77 H HN -0.009 nan 8.280 nan 0.000 0.566 78 M N 1.697 121.525 119.600 0.379 0.000 2.080 78 M HA 0.166 4.646 4.480 -0.000 0.000 0.350 78 M C -0.212 176.145 176.300 0.095 0.000 1.143 78 M CA 0.059 55.504 55.300 0.241 0.000 1.064 78 M CB 0.741 33.414 32.600 0.121 0.000 1.429 78 M HN -0.217 nan 8.290 nan 0.000 0.418 79 K N 3.154 123.622 120.400 0.112 0.000 2.457 79 K HA 0.272 4.592 4.320 -0.000 0.000 0.226 79 K C -0.817 175.767 176.600 -0.027 0.000 1.114 79 K CA -0.139 56.189 56.287 0.068 0.000 1.089 79 K CB 0.415 32.988 32.500 0.121 0.000 1.739 79 K HN 0.707 nan 8.250 nan 0.000 0.473 80 H N 0.205 119.089 119.070 -0.310 0.000 2.980 80 H HA 0.082 4.638 4.556 -0.000 0.000 0.367 80 H C 0.243 175.441 175.328 -0.217 0.000 1.206 80 H CA -0.434 55.396 56.048 -0.364 0.000 1.126 80 H CB 1.966 31.235 29.762 -0.821 0.000 1.838 80 H HN 0.462 nan 8.280 nan 0.000 0.552 81 E N 1.544 121.635 120.200 -0.180 0.000 2.479 81 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 81 E C -0.102 176.306 176.600 -0.321 0.000 1.049 81 E CA 0.167 56.447 56.400 -0.201 0.000 0.870 81 E CB 0.166 29.795 29.700 -0.118 0.000 0.944 81 E HN 0.532 nan 8.360 nan 0.000 0.492 82 N N 0.253 118.597 118.700 -0.593 0.000 2.205 82 N HA 0.111 4.851 4.740 -0.000 0.000 0.201 82 N C -1.044 174.257 175.510 -0.349 0.000 1.128 82 N CA -0.113 52.631 53.050 -0.510 0.000 0.867 82 N CB 1.452 39.519 38.487 -0.699 0.000 0.996 82 N HN -0.098 nan 8.380 nan 0.000 0.503 83 V N 1.841 121.574 119.914 -0.301 0.000 2.524 83 V HA 0.213 4.333 4.120 -0.000 0.000 0.297 83 V C -0.229 175.821 176.094 -0.073 0.000 1.035 83 V CA -0.987 61.194 62.300 -0.199 0.000 0.867 83 V CB 1.924 33.535 31.823 -0.353 0.000 1.004 83 V HN 0.042 nan 8.190 nan 0.000 0.426 84 I N 4.609 125.212 120.570 0.054 0.000 3.252 84 I HA 0.172 4.342 4.170 -0.000 0.000 0.331 84 I C 0.920 177.106 176.117 0.115 0.000 1.237 84 I CA 1.198 62.553 61.300 0.091 0.000 1.436 84 I CB -0.051 38.017 38.000 0.115 0.000 1.338 84 I HN 0.775 nan 8.210 nan 0.000 0.512 85 G N 6.946 115.789 108.800 0.073 0.000 2.420 85 G HA2 0.542 4.502 3.960 -0.000 0.000 0.331 85 G HA3 0.542 4.502 3.960 -0.000 0.000 0.331 85 G C -1.283 173.681 174.900 0.107 0.000 1.168 85 G CA -0.900 44.255 45.100 0.092 0.000 0.936 85 G HN 0.596 nan 8.290 nan 0.000 0.479 86 L N 1.631 122.936 121.223 0.137 0.000 2.313 86 L HA 0.399 4.739 4.340 -0.000 0.000 0.282 86 L C 0.835 177.870 176.870 0.275 0.000 1.092 86 L CA -0.152 54.771 54.840 0.140 0.000 0.831 86 L CB 0.869 42.979 42.059 0.085 0.000 1.159 86 L HN 0.529 nan 8.230 nan 0.000 0.442 87 L N 2.698 124.067 121.223 0.244 0.000 2.556 87 L HA 0.374 4.714 4.340 -0.000 0.000 0.226 87 L C -0.408 176.744 176.870 0.471 0.000 1.089 87 L CA 0.087 55.115 54.840 0.314 0.000 0.864 87 L CB 0.211 42.399 42.059 0.216 0.000 1.067 87 L HN 0.649 nan 8.230 nan 0.000 0.477 88 D N -0.702 119.899 120.400 0.336 0.000 2.602 88 D HA 0.221 4.861 4.640 -0.000 0.000 0.215 88 D C -1.737 174.522 176.300 -0.068 0.000 1.148 88 D CA -0.123 54.079 54.000 0.337 0.000 0.764 88 D CB 1.885 42.966 40.800 0.468 0.000 2.364 88 D HN -0.233 nan 8.370 nan 0.000 0.484 89 V N 4.716 124.458 119.914 -0.287 0.000 2.638 89 V HA 0.923 5.043 4.120 -0.000 0.000 0.306 89 V C -1.228 174.900 176.094 0.056 0.000 1.052 89 V CA -0.434 61.707 62.300 -0.265 0.000 0.885 89 V CB 1.051 32.597 31.823 -0.462 0.000 0.999 89 V HN 0.501 nan 8.190 nan 0.000 0.424 90 F N 3.030 123.074 119.950 0.156 0.000 2.814 90 F HA 0.983 5.510 4.527 -0.000 0.000 0.353 90 F C -0.357 175.633 175.800 0.316 0.000 1.177 90 F CA -0.683 57.465 58.000 0.247 0.000 1.036 90 F CB 1.645 40.836 39.000 0.319 0.000 1.455 90 F HN 0.636 nan 8.300 nan 0.000 0.520 91 T N -0.554 114.465 114.554 0.775 0.000 3.128 91 T HA 0.375 4.725 4.350 -0.000 0.000 0.363 91 T C -2.705 172.137 174.700 0.237 0.000 1.610 91 T CA -0.800 61.654 62.100 0.590 0.000 1.126 91 T CB 1.398 70.699 68.868 0.721 0.000 1.416 91 T HN 0.419 nan 8.240 nan 0.000 0.480 92 P HA 0.239 nan 4.420 nan 0.000 0.225 92 P C 0.202 177.428 177.300 -0.123 0.000 1.156 92 P CA 0.307 63.194 63.100 -0.355 0.000 0.787 92 P CB 0.012 31.570 31.700 -0.236 0.000 0.802 93 A N 0.837 123.727 122.820 0.115 0.000 2.540 93 A HA -0.086 4.234 4.320 -0.000 0.000 0.264 93 A C 1.386 179.044 177.584 0.123 0.000 1.080 93 A CA 0.358 52.490 52.037 0.158 0.000 0.776 93 A CB -0.336 18.878 19.000 0.356 0.000 1.011 93 A HN 0.140 nan 8.150 nan 0.000 0.514 94 R N 1.780 122.312 120.500 0.052 0.000 2.093 94 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 94 R C 1.084 177.433 176.300 0.081 0.000 1.101 94 R CA 1.356 57.491 56.100 0.058 0.000 0.979 94 R CB -0.165 30.151 30.300 0.027 0.000 0.877 94 R HN 0.845 nan 8.270 nan 0.000 0.441 95 S N -0.330 115.394 115.700 0.039 0.000 2.747 95 S HA 0.191 4.661 4.470 -0.000 0.000 0.300 95 S C 0.718 175.237 174.600 -0.134 0.000 1.121 95 S CA -0.871 57.327 58.200 -0.004 0.000 0.995 95 S CB 1.642 64.831 63.200 -0.018 0.000 1.113 95 S HN 0.065 nan 8.310 nan 0.000 0.547 96 L N 0.413 121.473 121.223 -0.273 0.000 2.209 96 L HA 0.302 4.642 4.340 -0.000 0.000 0.207 96 L C 1.988 178.681 176.870 -0.295 0.000 1.094 96 L CA 1.690 56.147 54.840 -0.639 0.000 0.790 96 L CB -1.184 40.515 42.059 -0.600 0.000 0.932 96 L HN 0.821 nan 8.230 nan 0.000 0.447 97 E N -0.214 119.896 120.200 -0.150 0.000 2.268 97 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 97 E C 1.483 178.059 176.600 -0.040 0.000 0.995 97 E CA 0.816 57.167 56.400 -0.081 0.000 0.836 97 E CB -0.039 29.628 29.700 -0.054 0.000 0.763 97 E HN 0.535 nan 8.360 nan 0.000 0.491 98 E N -0.207 119.976 120.200 -0.030 0.000 2.368 98 E HA 0.012 4.362 4.350 -0.000 0.000 0.188 98 E C -0.780 175.871 176.600 0.086 0.000 1.061 98 E CA -0.343 56.066 56.400 0.015 0.000 0.933 98 E CB 0.131 29.838 29.700 0.013 0.000 1.091 98 E HN 0.036 nan 8.360 nan 0.000 0.458 99 F N 0.824 120.696 119.950 -0.131 0.000 2.410 99 F HA 0.356 4.883 4.527 -0.000 0.000 0.349 99 F C 0.162 175.969 175.800 0.011 0.000 1.117 99 F CA -0.635 57.316 58.000 -0.082 0.000 1.104 99 F CB 1.026 39.868 39.000 -0.262 0.000 1.122 99 F HN -0.150 nan 8.300 nan 0.000 0.483 100 N N 2.756 121.238 118.700 -0.363 0.000 2.278 100 N HA 0.117 4.857 4.740 -0.000 0.000 0.239 100 N C -2.217 173.113 175.510 -0.300 0.000 1.411 100 N CA -0.068 52.831 53.050 -0.253 0.000 0.908 100 N CB 0.126 38.561 38.487 -0.088 0.000 1.307 100 N HN 0.472 nan 8.380 nan 0.000 0.522 101 D N -0.491 119.626 120.400 -0.472 0.000 2.769 101 D HA 0.358 4.998 4.640 -0.000 0.000 0.219 101 D C -1.266 174.876 176.300 -0.263 0.000 1.245 101 D CA -0.166 53.628 54.000 -0.344 0.000 0.801 101 D CB 2.350 43.072 40.800 -0.131 0.000 1.598 101 D HN -0.161 nan 8.370 nan 0.000 0.485 102 V N 2.643 122.359 119.914 -0.330 0.000 2.439 102 V HA 0.292 4.412 4.120 -0.000 0.000 0.277 102 V C -1.069 174.804 176.094 -0.368 0.000 1.008 102 V CA -0.748 61.462 62.300 -0.149 0.000 0.846 102 V CB 0.359 32.132 31.823 -0.084 0.000 1.031 102 V HN 0.392 nan 8.190 nan 0.000 0.441 103 Y N 4.380 124.378 120.300 -0.504 0.000 2.336 103 Y HA 0.574 5.124 4.550 -0.000 0.000 0.335 103 Y C 0.282 175.760 175.900 -0.703 0.000 1.046 103 Y CA -0.712 56.926 58.100 -0.770 0.000 1.198 103 Y CB 1.009 38.654 38.460 -1.360 0.000 1.182 103 Y HN 0.433 nan 8.280 nan 0.000 0.502 104 L N 4.451 125.466 121.223 -0.347 0.000 2.296 104 L HA 0.574 4.913 4.340 -0.000 0.000 0.286 104 L C -0.760 175.988 176.870 -0.204 0.000 1.023 104 L CA -0.965 53.716 54.840 -0.265 0.000 0.812 104 L CB 1.300 43.237 42.059 -0.203 0.000 1.223 104 L HN 0.327 nan 8.230 nan 0.000 0.421 105 V N 2.258 122.074 119.914 -0.164 0.000 2.417 105 V HA 0.616 4.736 4.120 -0.000 0.000 0.291 105 V C 0.268 176.349 176.094 -0.022 0.000 1.024 105 V CA -0.299 61.940 62.300 -0.102 0.000 0.861 105 V CB 1.888 33.665 31.823 -0.076 0.000 0.985 105 V HN 0.951 nan 8.190 nan 0.000 0.436 106 T N 0.656 115.207 114.554 -0.005 0.000 2.804 106 T HA 0.558 4.908 4.350 -0.000 0.000 0.290 106 T C -0.415 174.336 174.700 0.086 0.000 1.099 106 T CA -0.684 61.444 62.100 0.047 0.000 1.011 106 T CB 1.489 70.366 68.868 0.015 0.000 1.291 106 T HN 0.583 nan 8.240 nan 0.000 0.523 107 H N -0.416 118.652 119.070 -0.002 0.000 2.745 107 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 107 H C -0.701 174.607 175.328 -0.033 0.000 1.226 107 H CA -0.652 55.391 56.048 -0.008 0.000 1.435 107 H CB 0.573 30.330 29.762 -0.009 0.000 1.461 107 H HN 0.608 nan 8.280 nan 0.000 0.616 108 L N 3.284 124.139 121.223 -0.613 0.000 2.333 108 L HA 0.211 4.551 4.340 -0.000 0.000 0.280 108 L C -0.104 176.535 176.870 -0.384 0.000 1.004 108 L CA -0.267 54.338 54.840 -0.391 0.000 0.820 108 L CB 1.288 43.171 42.059 -0.294 0.000 1.247 108 L HN 0.713 nan 8.230 nan 0.000 0.416 109 M N 2.527 121.997 119.600 -0.216 0.000 2.653 109 M HA 0.378 4.858 4.480 -0.000 0.000 0.259 109 M C 1.501 177.732 176.300 -0.114 0.000 1.244 109 M CA 0.907 56.120 55.300 -0.145 0.000 1.163 109 M CB -0.455 32.077 32.600 -0.113 0.000 1.309 109 M HN 0.864 nan 8.290 nan 0.000 0.509 110 G N 0.926 109.656 108.800 -0.116 0.000 2.299 110 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.237 110 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.237 110 G C 0.334 175.200 174.900 -0.056 0.000 1.027 110 G CA 0.593 45.646 45.100 -0.079 0.000 0.619 110 G HN 0.880 nan 8.290 nan 0.000 0.513 111 A N -0.547 122.237 122.820 -0.060 0.000 2.529 111 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 111 A C -0.970 176.587 177.584 -0.044 0.000 1.205 111 A CA 0.558 52.576 52.037 -0.031 0.000 0.671 111 A CB 0.974 19.968 19.000 -0.011 0.000 1.301 111 A HN 1.099 nan 8.150 nan 0.000 0.450 112 D N -1.456 118.939 120.400 -0.008 0.000 2.553 112 D HA 0.453 5.093 4.640 -0.000 0.000 0.249 112 D C 0.712 177.005 176.300 -0.011 0.000 1.062 112 D CA -0.624 53.370 54.000 -0.011 0.000 1.085 112 D CB 0.457 41.283 40.800 0.045 0.000 1.350 112 D HN 0.368 nan 8.370 nan 0.000 0.575 113 L N 0.641 121.849 121.223 -0.025 0.000 2.079 113 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 113 L C 1.722 178.593 176.870 0.001 0.000 1.081 113 L CA 1.719 56.545 54.840 -0.025 0.000 0.752 113 L CB -1.326 40.703 42.059 -0.049 0.000 0.896 113 L HN 0.580 nan 8.230 nan 0.000 0.433 114 N N 0.128 118.830 118.700 0.004 0.000 2.091 114 N HA -0.292 4.448 4.740 -0.000 0.000 0.193 114 N C 1.694 177.227 175.510 0.038 0.000 1.021 114 N CA 1.805 54.873 53.050 0.029 0.000 0.862 114 N CB -0.255 38.250 38.487 0.029 0.000 1.018 114 N HN 0.463 nan 8.380 nan 0.000 0.429 115 N N 0.050 118.767 118.700 0.030 0.000 2.396 115 N HA 0.016 4.756 4.740 -0.000 0.000 0.180 115 N C 1.429 176.957 175.510 0.030 0.000 1.028 115 N CA 0.330 53.398 53.050 0.029 0.000 0.893 115 N CB 0.015 38.516 38.487 0.024 0.000 0.967 115 N HN 0.206 nan 8.380 nan 0.000 0.440 116 I N -0.288 120.299 120.570 0.029 0.000 2.480 116 I HA -0.048 4.122 4.170 -0.000 0.000 0.251 116 I C 1.643 177.788 176.117 0.046 0.000 1.124 116 I CA 0.655 61.977 61.300 0.037 0.000 1.444 116 I CB -0.961 37.058 38.000 0.033 0.000 1.098 116 I HN -0.031 nan 8.210 nan 0.000 0.428 117 V N 0.909 120.851 119.914 0.046 0.000 3.129 117 V HA -0.113 4.007 4.120 -0.000 0.000 0.259 117 V C 2.392 178.516 176.094 0.049 0.000 1.116 117 V CA 0.886 63.216 62.300 0.051 0.000 1.127 117 V CB -0.731 31.128 31.823 0.058 0.000 0.742 117 V HN 0.381 nan 8.190 nan 0.000 0.474 118 K N 1.392 121.820 120.400 0.047 0.000 1.965 118 K HA -0.167 4.153 4.320 -0.000 0.000 0.214 118 K C 1.386 178.008 176.600 0.036 0.000 1.042 118 K CA 2.106 58.419 56.287 0.043 0.000 0.950 118 K CB -0.247 32.277 32.500 0.040 0.000 0.733 118 K HN 0.635 nan 8.250 nan 0.000 0.441 119 C N 1.330 120.649 119.300 0.033 0.000 2.541 119 C HA 0.560 5.020 4.460 -0.000 0.000 0.405 119 C C -0.540 174.468 174.990 0.030 0.000 1.345 119 C CA -0.851 58.184 59.018 0.028 0.000 1.677 119 C CB -1.079 26.676 27.740 0.024 0.000 2.361 119 C HN 0.491 nan 8.230 nan 0.000 0.583 120 Q N 0.747 120.567 119.800 0.033 0.000 2.617 120 Q HA 0.386 4.726 4.340 -0.000 0.000 0.270 120 Q C -1.863 174.160 176.000 0.037 0.000 0.967 120 Q CA -0.313 55.512 55.803 0.037 0.000 0.887 120 Q CB 1.314 30.082 28.738 0.051 0.000 1.516 120 Q HN 0.668 nan 8.270 nan 0.000 0.395 121 K N 2.975 123.393 120.400 0.030 0.000 2.274 121 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 121 K C -0.923 175.696 176.600 0.031 0.000 0.961 121 K CA -0.474 55.829 56.287 0.027 0.000 0.833 121 K CB 1.337 33.846 32.500 0.014 0.000 1.102 121 K HN 0.421 nan 8.250 nan 0.000 0.436 122 L N 2.306 123.560 121.223 0.052 0.000 2.325 122 L HA 0.376 4.716 4.340 -0.000 0.000 0.279 122 L C 0.835 177.741 176.870 0.061 0.000 1.054 122 L CA -0.763 54.124 54.840 0.078 0.000 0.804 122 L CB 1.523 43.658 42.059 0.126 0.000 1.200 122 L HN 0.738 nan 8.230 nan 0.000 0.436 123 T N -3.471 111.116 114.554 0.054 0.000 2.847 123 T HA 0.088 4.438 4.350 -0.000 0.000 0.279 123 T C 0.682 175.447 174.700 0.109 0.000 0.984 123 T CA -0.716 61.414 62.100 0.050 0.000 0.988 123 T CB 1.439 70.309 68.868 0.004 0.000 1.040 123 T HN 0.571 nan 8.240 nan 0.000 0.528 124 D N 0.166 120.627 120.400 0.102 0.000 2.219 124 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 124 D C 1.613 177.998 176.300 0.142 0.000 0.970 124 D CA 1.210 55.293 54.000 0.138 0.000 0.851 124 D CB -0.008 40.875 40.800 0.139 0.000 0.943 124 D HN 0.761 nan 8.370 nan 0.000 0.488 125 D N -0.963 119.520 120.400 0.139 0.000 2.123 125 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 125 D C 1.821 178.279 176.300 0.263 0.000 0.976 125 D CA 0.754 54.859 54.000 0.175 0.000 0.831 125 D CB -0.825 40.072 40.800 0.161 0.000 0.974 125 D HN 0.247 nan 8.370 nan 0.000 0.469 126 H N 0.952 120.091 119.070 0.116 0.000 2.319 126 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 126 H C 2.329 177.736 175.328 0.132 0.000 1.092 126 H CA 1.171 57.300 56.048 0.136 0.000 1.302 126 H CB -0.413 29.410 29.762 0.101 0.000 1.373 126 H HN -0.038 nan 8.280 nan 0.000 0.497 127 V N 0.581 120.625 119.914 0.218 0.000 2.255 127 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 127 V C 2.370 178.540 176.094 0.127 0.000 1.051 127 V CA 2.095 64.484 62.300 0.149 0.000 1.018 127 V CB -0.518 31.401 31.823 0.160 0.000 0.641 127 V HN 0.516 nan 8.190 nan 0.000 0.445 128 Q N -1.252 118.603 119.800 0.092 0.000 2.062 128 Q HA -0.290 4.050 4.340 -0.000 0.000 0.209 128 Q C 2.194 178.231 176.000 0.061 0.000 0.996 128 Q CA 2.463 58.252 55.803 -0.023 0.000 0.859 128 Q CB -0.426 28.203 28.738 -0.183 0.000 0.920 128 Q HN 0.641 nan 8.270 nan 0.000 0.415 129 F N 1.348 121.116 119.950 -0.303 0.000 2.043 129 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 129 F C 1.976 177.635 175.800 -0.235 0.000 1.121 129 F CA 1.491 59.116 58.000 -0.625 0.000 1.199 129 F CB -0.745 37.906 39.000 -0.582 0.000 0.968 129 F HN -0.001 nan 8.300 nan 0.000 0.478 130 L N -0.073 120.969 121.223 -0.302 0.000 1.997 130 L HA -0.331 4.009 4.340 -0.000 0.000 0.216 130 L C 2.554 179.293 176.870 -0.218 0.000 1.074 130 L CA 1.460 56.102 54.840 -0.330 0.000 0.763 130 L CB -0.820 41.160 42.059 -0.131 0.000 0.890 130 L HN 0.205 nan 8.230 nan 0.000 0.434 131 I N -1.530 119.025 120.570 -0.025 0.000 2.315 131 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 131 I C 2.446 178.532 176.117 -0.052 0.000 1.117 131 I CA 1.367 62.694 61.300 0.045 0.000 1.404 131 I CB -1.221 36.937 38.000 0.264 0.000 1.071 131 I HN 0.284 nan 8.210 nan 0.000 0.419 132 Y N 2.566 122.730 120.300 -0.226 0.000 2.040 132 Y HA -0.339 4.211 4.550 -0.000 0.000 0.275 132 Y C 2.763 178.421 175.900 -0.403 0.000 1.171 132 Y CA 2.076 59.880 58.100 -0.495 0.000 1.123 132 Y CB -0.673 37.576 38.460 -0.352 0.000 0.963 132 Y HN 0.274 nan 8.280 nan 0.000 0.493 133 Q N -0.139 119.394 119.800 -0.446 0.000 2.077 133 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 133 Q C 2.373 178.132 176.000 -0.402 0.000 0.989 133 Q CA 2.354 57.857 55.803 -0.500 0.000 0.853 133 Q CB -0.454 27.975 28.738 -0.514 0.000 0.907 133 Q HN 0.575 nan 8.270 nan 0.000 0.418 134 I N 0.768 121.152 120.570 -0.310 0.000 2.113 134 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 134 I C 2.298 178.274 176.117 -0.235 0.000 1.064 134 I CA 1.422 62.586 61.300 -0.227 0.000 1.320 134 I CB -0.497 37.409 38.000 -0.157 0.000 1.028 134 I HN 0.180 nan 8.210 nan 0.000 0.406 135 L N -0.076 120.984 121.223 -0.272 0.000 2.093 135 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 135 L C 2.766 179.459 176.870 -0.295 0.000 1.085 135 L CA 1.206 55.884 54.840 -0.270 0.000 0.755 135 L CB -0.609 41.276 42.059 -0.290 0.000 0.904 135 L HN 0.136 nan 8.230 nan 0.000 0.435 136 R N 0.216 120.464 120.500 -0.421 0.000 2.080 136 R HA -0.161 4.179 4.340 -0.000 0.000 0.236 136 R C 2.234 178.488 176.300 -0.076 0.000 1.137 136 R CA 1.685 57.587 56.100 -0.330 0.000 0.943 136 R CB -0.630 29.359 30.300 -0.518 0.000 0.846 136 R HN 0.436 nan 8.270 nan 0.000 0.431 137 G N 0.284 108.989 108.800 -0.158 0.000 2.484 137 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 137 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 137 G C 1.181 176.067 174.900 -0.023 0.000 1.130 137 G CA 0.056 45.132 45.100 -0.041 0.000 0.784 137 G HN 0.229 nan 8.290 nan 0.000 0.543 138 L N 0.200 121.350 121.223 -0.122 0.000 2.313 138 L HA 0.275 4.615 4.340 -0.000 0.000 0.214 138 L C 2.443 179.147 176.870 -0.277 0.000 1.119 138 L CA 1.411 56.129 54.840 -0.203 0.000 0.809 138 L CB -0.222 41.680 42.059 -0.261 0.000 0.933 138 L HN 0.158 nan 8.230 nan 0.000 0.449 139 K N -1.851 118.468 120.400 -0.136 0.000 2.076 139 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 139 K C 2.198 178.816 176.600 0.032 0.000 1.051 139 K CA 1.168 57.411 56.287 -0.073 0.000 0.949 139 K CB -0.272 32.204 32.500 -0.040 0.000 0.726 139 K HN 0.344 nan 8.250 nan 0.000 0.443 140 Y N 1.504 121.766 120.300 -0.064 0.000 2.097 140 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 140 Y C 1.916 177.791 175.900 -0.042 0.000 1.152 140 Y CA 1.854 59.907 58.100 -0.077 0.000 1.136 140 Y CB -0.063 38.338 38.460 -0.099 0.000 0.975 140 Y HN -0.009 nan 8.280 nan 0.000 0.498 141 I N -0.552 120.172 120.570 0.256 0.000 2.226 141 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 141 I C 2.106 178.340 176.117 0.196 0.000 1.100 141 I CA 1.746 63.130 61.300 0.139 0.000 1.374 141 I CB -0.574 37.433 38.000 0.012 0.000 1.057 141 I HN 0.402 nan 8.210 nan 0.000 0.413 142 H N -1.079 118.002 119.070 0.018 0.000 2.502 142 H HA -0.081 4.475 4.556 -0.000 0.000 0.283 142 H C 2.525 177.851 175.328 -0.003 0.000 1.015 142 H CA 0.811 56.869 56.048 0.016 0.000 1.298 142 H CB 0.275 30.056 29.762 0.031 0.000 1.411 142 H HN 0.254 nan 8.280 nan 0.000 0.556 143 S N 0.989 116.744 115.700 0.091 0.000 2.353 143 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 143 S C 2.291 176.888 174.600 -0.005 0.000 1.035 143 S CA 1.015 59.211 58.200 -0.008 0.000 1.025 143 S CB -0.249 62.866 63.200 -0.142 0.000 0.902 143 S HN 0.492 nan 8.310 nan 0.000 0.440 144 A N 0.530 123.345 122.820 -0.009 0.000 2.248 144 A HA 0.096 4.416 4.320 -0.000 0.000 0.210 144 A C 0.417 178.023 177.584 0.036 0.000 1.174 144 A CA 1.138 53.192 52.037 0.030 0.000 0.750 144 A CB -0.503 18.500 19.000 0.007 0.000 0.780 144 A HN 0.642 nan 8.150 nan 0.000 0.478 145 D N -1.671 118.743 120.400 0.024 0.000 2.947 145 D HA -0.141 4.499 4.640 -0.000 0.000 0.224 145 D C -0.228 176.052 176.300 -0.032 0.000 1.132 145 D CA 1.026 55.028 54.000 0.004 0.000 0.801 145 D CB -1.819 38.999 40.800 0.030 0.000 1.097 145 D HN 0.575 nan 8.370 nan 0.000 0.431 146 I N 0.713 121.255 120.570 -0.046 0.000 2.460 146 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 146 I C 0.770 176.854 176.117 -0.056 0.000 0.989 146 I CA -0.851 60.409 61.300 -0.067 0.000 1.173 146 I CB 1.620 39.561 38.000 -0.099 0.000 1.338 146 I HN -0.164 nan 8.210 nan 0.000 0.456 147 I N 4.001 124.548 120.570 -0.038 0.000 2.646 147 I HA 0.260 4.430 4.170 -0.000 0.000 0.299 147 I C 0.871 177.054 176.117 0.110 0.000 1.036 147 I CA -0.715 60.577 61.300 -0.013 0.000 1.074 147 I CB 2.108 40.094 38.000 -0.024 0.000 1.258 147 I HN 0.627 nan 8.210 nan 0.000 0.430 148 H N 4.253 123.399 119.070 0.127 0.000 2.329 148 H HA 0.105 4.661 4.556 -0.000 0.000 0.306 148 H C 1.268 176.629 175.328 0.056 0.000 1.062 148 H CA 1.795 57.924 56.048 0.136 0.000 1.364 148 H CB 0.475 30.339 29.762 0.171 0.000 1.409 148 H HN 0.645 nan 8.280 nan 0.000 0.519 149 R N -1.010 119.629 120.500 0.231 0.000 3.733 149 R HA -0.218 4.122 4.340 -0.000 0.000 0.375 149 R C -0.218 176.149 176.300 0.113 0.000 0.588 149 R CA 1.759 57.892 56.100 0.055 0.000 1.567 149 R CB -1.306 28.931 30.300 -0.105 0.000 1.933 149 R HN 0.381 nan 8.270 nan 0.000 0.396 150 D N 0.301 120.897 120.400 0.327 0.000 2.861 150 D HA 0.235 4.875 4.640 -0.000 0.000 0.357 150 D C -1.142 175.243 176.300 0.142 0.000 1.250 150 D CA -0.433 53.718 54.000 0.251 0.000 0.802 150 D CB 0.484 41.435 40.800 0.251 0.000 1.141 150 D HN 0.095 nan 8.370 nan 0.000 0.489 151 L N 1.914 123.065 121.223 -0.119 0.000 2.371 151 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 151 L C -0.330 176.441 176.870 -0.164 0.000 1.124 151 L CA 0.383 54.962 54.840 -0.435 0.000 0.816 151 L CB 0.330 42.147 42.059 -0.404 0.000 1.129 151 L HN 0.281 nan 8.230 nan 0.000 0.448 152 K N 1.994 122.240 120.400 -0.256 0.000 2.735 152 K HA 0.379 4.699 4.320 -0.000 0.000 0.295 152 K C -2.826 173.549 176.600 -0.375 0.000 1.052 152 K CA -1.372 54.645 56.287 -0.449 0.000 0.853 152 K CB 0.297 32.497 32.500 -0.500 0.000 1.535 152 K HN 0.078 nan 8.250 nan 0.000 0.383 153 P HA -0.246 nan 4.420 nan 0.000 0.216 153 P C 1.201 178.432 177.300 -0.115 0.000 1.153 153 P CA 2.238 65.198 63.100 -0.234 0.000 0.858 153 P CB -0.002 31.577 31.700 -0.201 0.000 0.789 154 S N -2.303 113.335 115.700 -0.103 0.000 2.547 154 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 154 S C 1.320 175.995 174.600 0.125 0.000 0.980 154 S CA 0.774 58.984 58.200 0.017 0.000 0.941 154 S CB -0.913 62.268 63.200 -0.031 0.000 0.763 154 S HN 0.105 nan 8.310 nan 0.000 0.532 155 N N 0.988 119.714 118.700 0.043 0.000 2.328 155 N HA 0.371 5.111 4.740 -0.000 0.000 0.247 155 N C -1.099 174.430 175.510 0.031 0.000 1.165 155 N CA 0.058 53.166 53.050 0.097 0.000 0.873 155 N CB 0.667 39.217 38.487 0.104 0.000 1.125 155 N HN 0.436 nan 8.380 nan 0.000 0.513 156 L N 0.840 122.053 121.223 -0.017 0.000 2.471 156 L HA 0.546 4.886 4.340 -0.000 0.000 0.263 156 L C -0.109 176.718 176.870 -0.072 0.000 0.985 156 L CA -0.713 54.094 54.840 -0.054 0.000 0.868 156 L CB 1.721 43.733 42.059 -0.080 0.000 1.203 156 L HN -0.123 nan 8.230 nan 0.000 0.429 157 A N 3.207 125.970 122.820 -0.095 0.000 2.322 157 A HA 0.851 5.171 4.320 -0.000 0.000 0.269 157 A C -0.100 177.430 177.584 -0.090 0.000 1.094 157 A CA -0.353 51.617 52.037 -0.112 0.000 0.807 157 A CB 1.055 19.965 19.000 -0.149 0.000 1.047 157 A HN 0.597 nan 8.150 nan 0.000 0.487 158 V N 0.115 119.983 119.914 -0.076 0.000 3.120 158 V HA 0.704 4.824 4.120 -0.000 0.000 0.303 158 V C -0.800 175.268 176.094 -0.043 0.000 1.238 158 V CA -0.993 61.271 62.300 -0.060 0.000 1.008 158 V CB 1.818 33.608 31.823 -0.055 0.000 1.064 158 V HN 1.138 nan 8.190 nan 0.000 0.434 159 N N 0.257 118.943 118.700 -0.022 0.000 2.531 159 N HA 0.352 5.092 4.740 -0.000 0.000 0.290 159 N C 0.668 176.185 175.510 0.012 0.000 1.257 159 N CA -0.040 53.003 53.050 -0.011 0.000 0.863 159 N CB 2.323 40.808 38.487 -0.004 0.000 1.320 159 N HN 0.934 nan 8.380 nan 0.000 0.538 160 E N -0.368 119.840 120.200 0.014 0.000 2.147 160 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 160 E C -0.115 176.514 176.600 0.048 0.000 1.005 160 E CA 1.686 58.104 56.400 0.030 0.000 0.810 160 E CB -0.113 29.601 29.700 0.023 0.000 0.736 160 E HN 0.640 nan 8.360 nan 0.000 0.460 161 D N -0.999 119.430 120.400 0.049 0.000 2.519 161 D HA 0.031 4.671 4.640 -0.000 0.000 0.238 161 D C -0.437 175.918 176.300 0.092 0.000 1.192 161 D CA 0.141 54.178 54.000 0.061 0.000 0.835 161 D CB -0.639 40.192 40.800 0.052 0.000 0.975 161 D HN 0.289 nan 8.370 nan 0.000 0.490 162 C N 0.488 119.834 119.300 0.077 0.000 4.259 162 C HA -0.204 4.256 4.460 -0.000 0.000 0.294 162 C C 0.549 175.612 174.990 0.122 0.000 1.459 162 C CA 0.141 59.209 59.018 0.082 0.000 2.016 162 C CB -2.381 25.379 27.740 0.033 0.000 1.274 162 C HN 0.465 nan 8.230 nan 0.000 0.792 163 E N -0.484 119.766 120.200 0.083 0.000 2.343 163 E HA 0.601 4.951 4.350 -0.000 0.000 0.269 163 E C -0.073 176.469 176.600 -0.096 0.000 1.047 163 E CA -0.291 56.120 56.400 0.018 0.000 0.874 163 E CB 1.305 31.039 29.700 0.057 0.000 1.033 163 E HN 0.592 nan 8.360 nan 0.000 0.409 164 L N 1.466 122.579 121.223 -0.183 0.000 2.431 164 L HA 0.486 4.826 4.340 -0.000 0.000 0.266 164 L C -1.514 175.250 176.870 -0.176 0.000 0.978 164 L CA -0.615 54.114 54.840 -0.184 0.000 0.822 164 L CB 1.418 43.329 42.059 -0.247 0.000 1.310 164 L HN 0.376 nan 8.230 nan 0.000 0.409 165 K N 5.831 126.155 120.400 -0.128 0.000 2.397 165 K HA 0.543 4.863 4.320 -0.000 0.000 0.253 165 K C -1.046 175.514 176.600 -0.067 0.000 0.932 165 K CA -0.642 55.579 56.287 -0.109 0.000 0.795 165 K CB 2.472 34.932 32.500 -0.067 0.000 1.159 165 K HN 0.540 nan 8.250 nan 0.000 0.424 166 I N 4.814 125.356 120.570 -0.047 0.000 2.529 166 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 166 I C -0.002 176.235 176.117 0.200 0.000 1.082 166 I CA -0.246 61.087 61.300 0.054 0.000 1.406 166 I CB 0.264 38.290 38.000 0.044 0.000 1.405 166 I HN 0.330 nan 8.210 nan 0.000 0.548 167 L N 4.237 125.599 121.223 0.230 0.000 2.283 167 L HA 0.476 4.816 4.340 -0.000 0.000 0.259 167 L C 0.084 177.099 176.870 0.241 0.000 1.027 167 L CA -0.726 54.232 54.840 0.198 0.000 0.828 167 L CB 1.370 43.448 42.059 0.032 0.000 1.380 167 L HN 0.528 nan 8.230 nan 0.000 0.425 168 D N -0.191 120.180 120.400 -0.048 0.000 3.077 168 D HA -0.225 4.415 4.640 -0.000 0.000 0.217 168 D C -0.234 175.772 176.300 -0.490 0.000 1.162 168 D CA 1.110 55.002 54.000 -0.181 0.000 0.943 168 D CB -0.930 39.903 40.800 0.055 0.000 1.122 168 D HN 0.410 nan 8.370 nan 0.000 0.413 169 F N -0.773 118.941 119.950 -0.393 0.000 2.506 169 F HA 0.451 4.978 4.527 -0.000 0.000 0.351 169 F C 1.449 177.018 175.800 -0.386 0.000 1.136 169 F CA -0.299 57.292 58.000 -0.681 0.000 1.298 169 F CB 0.462 39.337 39.000 -0.209 0.000 1.145 169 F HN 0.081 nan 8.300 nan 0.000 0.593 170 G N 3.422 112.084 108.800 -0.230 0.000 2.623 170 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.281 170 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.281 170 G C -1.072 173.711 174.900 -0.194 0.000 1.087 170 G CA -0.460 44.541 45.100 -0.164 0.000 1.244 170 G HN 0.856 nan 8.290 nan 0.000 0.544 171 L N 1.242 122.372 121.223 -0.154 0.000 2.277 171 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 171 L C 1.684 178.505 176.870 -0.081 0.000 1.028 171 L CA -0.279 54.498 54.840 -0.104 0.000 0.835 171 L CB 0.985 43.011 42.059 -0.056 0.000 1.215 171 L HN 0.565 nan 8.230 nan 0.000 0.425 172 A N 4.258 127.041 122.820 -0.063 0.000 1.844 172 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 172 A C 0.884 178.428 177.584 -0.067 0.000 1.217 172 A CA 1.478 53.486 52.037 -0.048 0.000 0.644 172 A CB -0.017 18.957 19.000 -0.043 0.000 0.850 172 A HN 0.639 nan 8.150 nan 0.000 0.456 173 R N -2.041 118.426 120.500 -0.054 0.000 2.561 173 R HA 0.380 4.720 4.340 -0.000 0.000 0.266 173 R C -1.661 174.657 176.300 0.028 0.000 1.091 173 R CA -0.331 55.725 56.100 -0.074 0.000 0.927 173 R CB 0.480 30.750 30.300 -0.050 0.000 1.240 173 R HN 0.719 nan 8.270 nan 0.000 0.449 174 H N 1.756 120.796 119.070 -0.049 0.000 2.848 174 H HA 0.152 4.708 4.556 -0.000 0.000 0.317 174 H C 0.027 175.328 175.328 -0.047 0.000 1.046 174 H CA 0.035 56.051 56.048 -0.053 0.000 1.470 174 H CB 0.777 30.512 29.762 -0.045 0.000 1.483 174 H HN 0.518 nan 8.280 nan 0.000 0.548 175 T N 2.760 117.348 114.554 0.057 0.000 2.934 175 T HA -0.150 4.200 4.350 -0.000 0.000 0.321 175 T C 0.547 175.258 174.700 0.018 0.000 1.080 175 T CA -0.174 61.933 62.100 0.012 0.000 1.132 175 T CB 0.248 69.102 68.868 -0.024 0.000 1.039 175 T HN 0.573 nan 8.240 nan 0.000 0.543 176 D N 1.484 121.892 120.400 0.013 0.000 2.583 176 D HA -0.031 4.609 4.640 -0.000 0.000 0.232 176 D C 0.374 176.677 176.300 0.004 0.000 1.128 176 D CA 0.503 54.510 54.000 0.011 0.000 0.859 176 D CB -0.053 40.752 40.800 0.009 0.000 1.169 176 D HN 0.629 nan 8.370 nan 0.000 0.481 177 D N 1.805 122.210 120.400 0.009 0.000 2.907 177 D HA -0.206 4.434 4.640 -0.000 0.000 0.226 177 D C -0.104 176.190 176.300 -0.011 0.000 1.141 177 D CA 0.920 54.921 54.000 0.002 0.000 0.779 177 D CB -0.760 40.037 40.800 -0.006 0.000 1.095 177 D HN 0.463 nan 8.370 nan 0.000 0.430 178 E N -0.315 119.883 120.200 -0.002 0.000 2.968 178 E HA 0.383 4.733 4.350 -0.000 0.000 0.202 178 E C 0.348 176.952 176.600 0.008 0.000 0.979 178 E CA 0.030 56.413 56.400 -0.027 0.000 1.192 178 E CB 0.308 29.975 29.700 -0.055 0.000 1.059 178 E HN 0.345 nan 8.360 nan 0.000 0.470 179 M N -2.639 116.985 119.600 0.039 0.000 4.816 179 M HA 0.143 4.623 4.480 -0.000 0.000 0.611 179 M C -0.154 176.197 176.300 0.085 0.000 2.092 179 M CA -0.069 55.278 55.300 0.078 0.000 0.523 179 M CB -0.699 31.982 32.600 0.136 0.000 1.584 179 M HN -0.104 nan 8.290 nan 0.000 0.657 180 T N -0.769 113.821 114.554 0.060 0.000 3.182 180 T HA 0.584 4.934 4.350 -0.000 0.000 0.274 180 T C 1.456 176.206 174.700 0.083 0.000 0.997 180 T CA 0.583 62.725 62.100 0.069 0.000 1.082 180 T CB -0.209 68.685 68.868 0.043 0.000 1.005 180 T HN 1.349 nan 8.240 nan 0.000 0.688 181 G N 2.809 111.678 108.800 0.115 0.000 2.990 181 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.225 181 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.225 181 G C 0.478 175.378 174.900 -0.001 0.000 1.304 181 G CA 0.643 45.795 45.100 0.087 0.000 0.816 181 G HN 0.704 nan 8.290 nan 0.000 0.528 182 Y N 0.439 120.681 120.300 -0.096 0.000 2.437 182 Y HA 0.460 5.010 4.550 -0.000 0.000 0.266 182 Y C 1.397 177.229 175.900 -0.114 0.000 1.077 182 Y CA 0.339 58.368 58.100 -0.117 0.000 1.235 182 Y CB 0.990 39.411 38.460 -0.065 0.000 1.303 182 Y HN 0.258 nan 8.280 nan 0.000 0.536 183 V N 2.279 122.224 119.914 0.052 0.000 3.287 183 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 183 V C 0.904 176.980 176.094 -0.030 0.000 1.103 183 V CA 0.494 62.770 62.300 -0.041 0.000 1.159 183 V CB 0.269 32.073 31.823 -0.032 0.000 1.036 183 V HN 0.560 nan 8.190 nan 0.000 0.487 184 A N 2.290 125.063 122.820 -0.080 0.000 5.785 184 A HA 0.017 4.337 4.320 -0.000 0.000 0.248 184 A C 0.289 177.815 177.584 -0.097 0.000 2.271 184 A CA 0.501 52.498 52.037 -0.067 0.000 0.708 184 A CB -1.965 17.076 19.000 0.069 0.000 0.990 184 A HN 2.321 nan 8.150 nan 0.000 0.343 185 T N -2.970 111.559 114.554 -0.042 0.000 3.335 185 T HA 0.655 5.005 4.350 -0.000 0.000 0.321 185 T C 0.178 174.901 174.700 0.040 0.000 0.960 185 T CA 0.273 62.315 62.100 -0.096 0.000 1.034 185 T CB 1.329 70.129 68.868 -0.113 0.000 1.040 185 T HN 1.522 nan 8.240 nan 0.000 0.454 186 R N 0.716 121.244 120.500 0.046 0.000 2.265 186 R HA 0.153 4.493 4.340 -0.000 0.000 0.194 186 R C 0.776 177.272 176.300 0.327 0.000 0.931 186 R CA -0.307 55.894 56.100 0.168 0.000 1.032 186 R CB -0.239 30.128 30.300 0.113 0.000 0.980 186 R HN 0.535 nan 8.270 nan 0.000 0.497 187 W N 1.393 122.760 121.300 0.112 0.000 2.276 187 W HA -0.207 4.453 4.660 -0.000 0.000 0.307 187 W C 1.066 177.510 176.519 -0.125 0.000 1.240 187 W CA 0.973 58.304 57.345 -0.023 0.000 1.249 187 W CB -0.872 28.501 29.460 -0.144 0.000 1.140 187 W HN 0.195 nan 8.180 nan 0.000 0.519 188 Y N -1.751 118.805 120.300 0.426 0.000 2.444 188 Y HA 0.246 4.796 4.550 -0.000 0.000 0.249 188 Y C 1.277 177.417 175.900 0.400 0.000 1.134 188 Y CA -0.318 58.002 58.100 0.366 0.000 1.261 188 Y CB -0.211 38.390 38.460 0.236 0.000 1.143 188 Y HN -0.389 nan 8.280 nan 0.000 0.523 189 R N 1.387 122.136 120.500 0.414 0.000 2.390 189 R HA 0.493 4.833 4.340 -0.000 0.000 0.291 189 R C 0.289 176.641 176.300 0.088 0.000 1.070 189 R CA -0.337 55.918 56.100 0.258 0.000 1.014 189 R CB 0.772 31.147 30.300 0.124 0.000 1.007 189 R HN 0.130 nan 8.270 nan 0.000 0.466 190 A N 5.490 128.254 122.820 -0.092 0.000 2.561 190 A HA 0.066 4.386 4.320 -0.000 0.000 0.234 190 A C -1.251 175.930 177.584 -0.672 0.000 1.055 190 A CA -1.003 50.584 52.037 -0.751 0.000 0.756 190 A CB -0.031 18.776 19.000 -0.322 0.000 0.986 190 A HN 0.574 nan 8.150 nan 0.000 0.505 191 P HA -0.241 nan 4.420 nan 0.000 0.213 191 P C 1.206 178.153 177.300 -0.588 0.000 1.170 191 P CA 1.713 64.440 63.100 -0.622 0.000 0.898 191 P CB -0.089 31.258 31.700 -0.589 0.000 0.787 192 E N 0.652 120.585 120.200 -0.445 0.000 2.219 192 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 192 E C 1.976 178.375 176.600 -0.335 0.000 0.998 192 E CA 1.185 57.365 56.400 -0.365 0.000 0.818 192 E CB -1.425 28.387 29.700 0.186 0.000 0.741 192 E HN 0.365 nan 8.360 nan 0.000 0.477 193 I N -0.383 120.020 120.570 -0.279 0.000 3.883 193 I HA 0.092 4.262 4.170 -0.000 0.000 0.326 193 I C 2.187 178.127 176.117 -0.296 0.000 1.283 193 I CA 0.021 61.169 61.300 -0.253 0.000 1.161 193 I CB 0.052 37.872 38.000 -0.300 0.000 1.012 193 I HN 0.084 nan 8.210 nan 0.000 0.421 194 M N 0.240 119.634 119.600 -0.344 0.000 2.325 194 M HA 0.053 4.533 4.480 -0.000 0.000 0.265 194 M C 0.288 176.367 176.300 -0.368 0.000 1.094 194 M CA 1.563 56.698 55.300 -0.276 0.000 1.161 194 M CB 0.367 32.831 32.600 -0.226 0.000 1.358 194 M HN 0.088 nan 8.290 nan 0.000 0.446 195 L N 2.088 122.982 121.223 -0.549 0.000 3.047 195 L HA 0.278 4.618 4.340 -0.000 0.000 0.242 195 L C -0.506 175.973 176.870 -0.651 0.000 1.315 195 L CA -0.676 53.805 54.840 -0.600 0.000 1.042 195 L CB -0.377 41.286 42.059 -0.660 0.000 1.420 195 L HN 0.226 nan 8.230 nan 0.000 0.517 196 N N 1.271 119.736 118.700 -0.392 0.000 1.552 196 N HA -0.236 4.504 4.740 -0.000 0.000 0.336 196 N C 0.274 175.731 175.510 -0.089 0.000 1.263 196 N CA 0.802 53.734 53.050 -0.196 0.000 0.849 196 N CB 0.285 38.721 38.487 -0.086 0.000 1.118 196 N HN 0.517 nan 8.380 nan 0.000 0.503 197 W N 1.187 122.487 121.300 -0.000 0.000 2.780 197 W HA 0.103 4.763 4.660 -0.000 0.000 0.272 197 W C 1.015 177.548 176.519 0.024 0.000 1.116 197 W CA 0.450 57.797 57.345 0.004 0.000 1.600 197 W CB -0.261 29.197 29.460 -0.004 0.000 1.086 197 W HN 0.499 nan 8.180 nan 0.000 0.584 198 M N -2.479 117.303 119.600 0.303 0.000 3.744 198 M HA 0.308 4.788 4.480 -0.000 0.000 0.367 198 M C -0.788 175.626 176.300 0.191 0.000 1.682 198 M CA -1.291 54.134 55.300 0.208 0.000 0.802 198 M CB 0.278 32.984 32.600 0.178 0.000 2.399 198 M HN -0.138 nan 8.290 nan 0.000 0.449 199 H N 1.629 120.721 119.070 0.037 0.000 3.342 199 H HA 0.287 4.842 4.556 -0.000 0.000 0.237 199 H C -1.247 174.064 175.328 -0.029 0.000 1.044 199 H CA 0.709 56.721 56.048 -0.062 0.000 1.436 199 H CB -0.705 29.015 29.762 -0.069 0.000 1.569 199 H HN 0.529 nan 8.280 nan 0.000 0.507 200 Y N 2.594 122.827 120.300 -0.111 0.000 2.425 200 Y HA 0.196 4.746 4.550 -0.000 0.000 0.331 200 Y C 0.467 176.306 175.900 -0.100 0.000 1.157 200 Y CA -1.218 56.839 58.100 -0.071 0.000 1.372 200 Y CB 0.251 38.663 38.460 -0.080 0.000 1.253 200 Y HN 0.548 nan 8.280 nan 0.000 0.536 201 N N 1.583 120.381 118.700 0.163 0.000 2.374 201 N HA 0.092 4.832 4.740 -0.000 0.000 0.284 201 N C 0.794 176.392 175.510 0.146 0.000 1.280 201 N CA -0.070 53.042 53.050 0.104 0.000 0.963 201 N CB 0.690 39.243 38.487 0.110 0.000 1.141 201 N HN 0.837 nan 8.380 nan 0.000 0.565 202 Q N -1.786 118.052 119.800 0.064 0.000 2.392 202 Q HA 0.056 4.396 4.340 -0.000 0.000 0.203 202 Q C 0.629 176.695 176.000 0.109 0.000 0.917 202 Q CA 0.790 56.579 55.803 -0.023 0.000 0.939 202 Q CB -0.250 28.350 28.738 -0.230 0.000 1.063 202 Q HN 0.690 nan 8.270 nan 0.000 0.516 203 T N -0.973 113.679 114.554 0.164 0.000 3.163 203 T HA -0.030 4.320 4.350 -0.000 0.000 0.260 203 T C 1.846 176.688 174.700 0.237 0.000 1.156 203 T CA 0.684 62.915 62.100 0.219 0.000 1.072 203 T CB -0.340 68.640 68.868 0.187 0.000 0.937 203 T HN 0.315 nan 8.240 nan 0.000 0.528 204 V N -0.073 119.961 119.914 0.199 0.000 2.594 204 V HA -0.141 3.979 4.120 -0.000 0.000 0.253 204 V C 1.884 178.122 176.094 0.241 0.000 1.069 204 V CA 1.786 64.195 62.300 0.181 0.000 1.082 204 V CB -0.723 31.147 31.823 0.078 0.000 0.680 204 V HN 0.209 nan 8.190 nan 0.000 0.469 205 D N 0.243 120.799 120.400 0.261 0.000 2.224 205 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 205 D C 2.123 178.551 176.300 0.213 0.000 0.965 205 D CA 0.966 55.117 54.000 0.252 0.000 0.852 205 D CB -0.040 40.968 40.800 0.347 0.000 0.947 205 D HN 0.405 nan 8.370 nan 0.000 0.494 206 I N 0.430 121.139 120.570 0.231 0.000 2.252 206 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 206 I C 2.326 178.563 176.117 0.200 0.000 1.102 206 I CA 0.697 62.102 61.300 0.175 0.000 1.385 206 I CB -0.851 37.252 38.000 0.171 0.000 1.064 206 I HN 0.293 nan 8.210 nan 0.000 0.414 207 W N 2.094 123.467 121.300 0.121 0.000 2.305 207 W HA -0.282 4.378 4.660 -0.000 0.000 0.308 207 W C 2.481 179.094 176.519 0.157 0.000 1.226 207 W CA 2.006 59.437 57.345 0.142 0.000 1.253 207 W CB -0.367 29.175 29.460 0.138 0.000 1.146 207 W HN 0.106 nan 8.180 nan 0.000 0.507 208 S N 0.933 116.829 115.700 0.327 0.000 2.351 208 S HA -0.217 4.252 4.470 -0.000 0.000 0.220 208 S C 1.901 176.568 174.600 0.112 0.000 1.035 208 S CA 2.041 60.394 58.200 0.256 0.000 1.031 208 S CB -1.020 62.310 63.200 0.216 0.000 0.928 208 S HN 0.139 nan 8.310 nan 0.000 0.433 209 V N 1.969 121.923 119.914 0.066 0.000 2.278 209 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 209 V C 2.631 178.716 176.094 -0.016 0.000 1.062 209 V CA 2.110 64.422 62.300 0.020 0.000 1.038 209 V CB -1.704 30.127 31.823 0.014 0.000 0.646 209 V HN 0.616 nan 8.190 nan 0.000 0.447 210 G N -1.188 107.568 108.800 -0.073 0.000 2.491 210 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G C 1.737 176.523 174.900 -0.191 0.000 1.180 210 G CA 1.402 46.406 45.100 -0.160 0.000 0.774 210 G HN 0.552 nan 8.290 nan 0.000 0.562 211 C N 0.350 119.528 119.300 -0.202 0.000 2.413 211 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 211 C C 2.855 177.864 174.990 0.032 0.000 1.265 211 C CA 0.550 59.485 59.018 -0.138 0.000 1.752 211 C CB -1.015 26.704 27.740 -0.034 0.000 1.998 211 C HN 0.473 nan 8.230 nan 0.000 0.489 212 I N 0.231 120.875 120.570 0.123 0.000 2.286 212 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 212 I C 2.637 178.777 176.117 0.038 0.000 1.104 212 I CA 1.571 62.953 61.300 0.137 0.000 1.397 212 I CB -0.468 37.570 38.000 0.063 0.000 1.072 212 I HN 0.376 nan 8.210 nan 0.000 0.417 213 M N 0.950 120.539 119.600 -0.018 0.000 2.117 213 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 213 M C 2.398 178.627 176.300 -0.118 0.000 1.065 213 M CA 2.156 57.427 55.300 -0.049 0.000 1.114 213 M CB -0.126 32.432 32.600 -0.070 0.000 1.361 213 M HN 0.222 nan 8.290 nan 0.000 0.408 214 A N -0.159 122.548 122.820 -0.188 0.000 1.972 214 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 214 A C 1.987 179.525 177.584 -0.076 0.000 1.169 214 A CA 2.057 53.956 52.037 -0.230 0.000 0.635 214 A CB -0.841 18.012 19.000 -0.245 0.000 0.810 214 A HN 0.749 nan 8.150 nan 0.000 0.446 215 E N -0.414 119.762 120.200 -0.040 0.000 2.170 215 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 215 E C 1.864 178.479 176.600 0.025 0.000 0.981 215 E CA 0.313 56.717 56.400 0.006 0.000 0.830 215 E CB -0.103 29.641 29.700 0.073 0.000 0.775 215 E HN 0.628 nan 8.360 nan 0.000 0.470 216 L N 0.607 121.844 121.223 0.024 0.000 2.093 216 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 216 L C 2.394 179.284 176.870 0.034 0.000 1.085 216 L CA 0.769 55.631 54.840 0.037 0.000 0.755 216 L CB -0.240 41.845 42.059 0.043 0.000 0.904 216 L HN 0.251 nan 8.230 nan 0.000 0.435 217 L N -0.844 120.385 121.223 0.009 0.000 2.049 217 L HA -0.140 4.200 4.340 -0.000 0.000 0.203 217 L C 2.841 179.731 176.870 0.033 0.000 1.074 217 L CA 1.817 56.665 54.840 0.014 0.000 0.749 217 L CB -0.921 41.111 42.059 -0.045 0.000 0.907 217 L HN 0.385 nan 8.230 nan 0.000 0.439 218 T N -3.138 111.441 114.554 0.042 0.000 2.851 218 T HA 0.062 4.412 4.350 -0.000 0.000 0.262 218 T C 1.501 176.210 174.700 0.015 0.000 1.043 218 T CA 0.901 63.024 62.100 0.039 0.000 1.140 218 T CB -0.088 68.800 68.868 0.034 0.000 0.872 218 T HN 0.493 nan 8.240 nan 0.000 0.446 219 G N 2.055 110.863 108.800 0.013 0.000 2.138 219 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.193 219 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.193 219 G C -0.002 174.899 174.900 0.002 0.000 0.998 219 G CA -0.149 44.960 45.100 0.015 0.000 0.668 219 G HN 1.011 nan 8.290 nan 0.000 0.516 220 R N -1.054 119.435 120.500 -0.018 0.000 2.626 220 R HA 0.650 4.990 4.340 -0.000 0.000 0.274 220 R C -0.436 175.808 176.300 -0.094 0.000 1.031 220 R CA -0.642 55.427 56.100 -0.051 0.000 0.898 220 R CB 0.485 30.739 30.300 -0.077 0.000 1.222 220 R HN 0.024 nan 8.270 nan 0.000 0.455 221 T N 3.444 117.922 114.554 -0.128 0.000 2.849 221 T HA -0.058 4.292 4.350 -0.000 0.000 0.289 221 T C 1.249 175.751 174.700 -0.330 0.000 1.010 221 T CA 0.045 62.003 62.100 -0.235 0.000 1.161 221 T CB 0.319 68.920 68.868 -0.445 0.000 0.989 221 T HN 0.512 nan 8.240 nan 0.000 0.523 222 L N 4.240 125.233 121.223 -0.382 0.000 1.988 222 L HA 0.207 4.547 4.340 -0.000 0.000 0.207 222 L C 0.416 176.911 176.870 -0.626 0.000 1.071 222 L CA 1.799 56.303 54.840 -0.560 0.000 0.744 222 L CB -0.239 41.372 42.059 -0.747 0.000 0.893 222 L HN 0.591 nan 8.230 nan 0.000 0.433 223 F N 1.826 121.610 119.950 -0.277 0.000 2.366 223 F HA 0.414 4.941 4.527 -0.000 0.000 0.357 223 F C -2.061 173.448 175.800 -0.485 0.000 1.107 223 F CA -2.872 54.979 58.000 -0.248 0.000 1.208 223 F CB 0.254 39.215 39.000 -0.063 0.000 1.464 223 F HN 0.100 nan 8.300 nan 0.000 0.501 224 P HA 0.207 nan 4.420 nan 0.000 0.219 224 P C 0.566 177.571 177.300 -0.490 0.000 1.847 224 P CA 0.129 62.518 63.100 -1.186 0.000 1.059 224 P CB 0.663 31.746 31.700 -1.029 0.000 1.900 225 G N 1.520 110.219 108.800 -0.168 0.000 2.631 225 G HA2 0.295 4.255 3.960 -0.000 0.000 0.271 225 G HA3 0.295 4.255 3.960 -0.000 0.000 0.271 225 G C 0.854 175.855 174.900 0.169 0.000 1.302 225 G CA 0.319 45.447 45.100 0.047 0.000 1.002 225 G HN 0.354 nan 8.290 nan 0.000 0.519 226 T N -3.100 111.435 114.554 -0.033 0.000 3.280 226 T HA 0.196 4.546 4.350 -0.000 0.000 0.256 226 T C 0.302 174.600 174.700 -0.669 0.000 0.995 226 T CA 0.737 62.645 62.100 -0.319 0.000 1.144 226 T CB 0.165 68.898 68.868 -0.225 0.000 1.140 226 T HN 0.601 nan 8.240 nan 0.000 0.423 227 D N 0.351 120.539 120.400 -0.354 0.000 2.374 227 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 227 D C 0.471 176.687 176.300 -0.140 0.000 0.991 227 D CA -0.722 53.099 54.000 -0.299 0.000 0.960 227 D CB 1.098 41.792 40.800 -0.177 0.000 1.284 227 D HN -0.016 nan 8.370 nan 0.000 0.512 228 H N 0.580 119.615 119.070 -0.058 0.000 2.252 228 H HA -0.144 4.412 4.556 -0.000 0.000 0.292 228 H C 2.033 177.345 175.328 -0.026 0.000 1.082 228 H CA 1.669 57.696 56.048 -0.035 0.000 1.229 228 H CB -0.128 29.615 29.762 -0.032 0.000 1.353 228 H HN 0.461 nan 8.280 nan 0.000 0.488 229 I N 0.390 121.048 120.570 0.146 0.000 2.145 229 I HA -0.310 3.859 4.170 -0.000 0.000 0.244 229 I C 2.340 178.485 176.117 0.047 0.000 1.075 229 I CA 1.877 63.250 61.300 0.122 0.000 1.332 229 I CB -0.410 37.690 38.000 0.167 0.000 1.033 229 I HN 0.182 nan 8.210 nan 0.000 0.410 230 D N 0.118 120.527 120.400 0.015 0.000 2.144 230 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 230 D C 2.106 178.395 176.300 -0.018 0.000 0.984 230 D CA 1.091 55.084 54.000 -0.012 0.000 0.834 230 D CB 0.067 40.842 40.800 -0.040 0.000 0.955 230 D HN 0.219 nan 8.370 nan 0.000 0.465 231 Q N -0.153 119.641 119.800 -0.009 0.000 2.016 231 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 231 Q C 1.958 177.912 176.000 -0.076 0.000 0.978 231 Q CA 1.066 56.864 55.803 -0.008 0.000 0.833 231 Q CB -0.660 28.102 28.738 0.041 0.000 0.895 231 Q HN 0.343 nan 8.270 nan 0.000 0.427 232 L N 0.609 121.790 121.223 -0.070 0.000 2.042 232 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 232 L C 1.869 178.668 176.870 -0.118 0.000 1.076 232 L CA 1.948 56.720 54.840 -0.114 0.000 0.749 232 L CB -0.728 41.280 42.059 -0.085 0.000 0.893 232 L HN 0.133 nan 8.230 nan 0.000 0.432 233 K N -0.373 119.976 120.400 -0.085 0.000 2.044 233 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 233 K C 2.201 178.763 176.600 -0.064 0.000 1.049 233 K CA 1.733 57.976 56.287 -0.073 0.000 0.927 233 K CB -0.749 31.722 32.500 -0.048 0.000 0.713 233 K HN 0.395 nan 8.250 nan 0.000 0.443 234 L N 0.429 121.615 121.223 -0.061 0.000 2.079 234 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 234 L C 2.420 179.233 176.870 -0.095 0.000 1.081 234 L CA 1.080 55.915 54.840 -0.009 0.000 0.752 234 L CB -0.359 41.736 42.059 0.059 0.000 0.896 234 L HN 0.145 nan 8.230 nan 0.000 0.433 235 I N -0.646 119.671 120.570 -0.422 0.000 2.277 235 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 235 I C 2.332 178.374 176.117 -0.124 0.000 1.094 235 I CA 0.880 61.770 61.300 -0.684 0.000 1.393 235 I CB -0.126 37.488 38.000 -0.644 0.000 1.078 235 I HN 0.134 nan 8.210 nan 0.000 0.417 236 L N 0.328 121.503 121.223 -0.081 0.000 2.187 236 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 236 L C 2.547 179.437 176.870 0.034 0.000 1.100 236 L CA 1.276 56.113 54.840 -0.004 0.000 0.765 236 L CB -0.659 41.380 42.059 -0.033 0.000 0.904 236 L HN 0.239 nan 8.230 nan 0.000 0.437 237 R N -0.608 119.913 120.500 0.034 0.000 2.189 237 R HA -0.095 4.245 4.340 -0.000 0.000 0.218 237 R C 1.988 178.343 176.300 0.092 0.000 1.074 237 R CA 0.805 56.935 56.100 0.050 0.000 0.991 237 R CB -0.029 30.292 30.300 0.035 0.000 0.883 237 R HN 0.250 nan 8.270 nan 0.000 0.457 238 L N -0.012 121.310 121.223 0.164 0.000 2.262 238 L HA -0.013 4.327 4.340 -0.000 0.000 0.197 238 L C 1.890 178.944 176.870 0.307 0.000 1.073 238 L CA 1.048 56.018 54.840 0.217 0.000 0.800 238 L CB 0.052 42.307 42.059 0.327 0.000 0.987 238 L HN -0.053 nan 8.230 nan 0.000 0.470 239 V N -1.708 118.404 119.914 0.331 0.000 3.608 239 V HA 0.527 4.647 4.120 -0.000 0.000 0.269 239 V C 0.986 177.195 176.094 0.191 0.000 1.245 239 V CA 0.147 62.642 62.300 0.325 0.000 1.138 239 V CB -1.419 30.630 31.823 0.377 0.000 0.841 239 V HN 0.643 nan 8.190 nan 0.000 0.451 240 G N 1.251 110.135 108.800 0.141 0.000 2.731 240 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 240 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 240 G C -0.224 174.711 174.900 0.058 0.000 1.395 240 G CA -0.330 44.820 45.100 0.084 0.000 0.870 240 G HN 1.301 nan 8.290 nan 0.000 0.591 241 T N 1.750 116.321 114.554 0.027 0.000 2.934 241 T HA 0.488 4.838 4.350 -0.000 0.000 0.306 241 T C -1.105 173.600 174.700 0.007 0.000 1.042 241 T CA -0.120 61.984 62.100 0.007 0.000 1.145 241 T CB 0.968 69.828 68.868 -0.012 0.000 0.982 241 T HN 0.796 nan 8.240 nan 0.000 0.544 242 P HA 0.130 nan 4.420 nan 0.000 0.269 242 P C 0.676 177.959 177.300 -0.028 0.000 1.205 242 P CA -0.159 62.928 63.100 -0.022 0.000 0.780 242 P CB 0.254 31.912 31.700 -0.070 0.000 0.858 243 G N -0.318 108.464 108.800 -0.029 0.000 2.543 243 G HA2 0.413 4.373 3.960 -0.000 0.000 0.267 243 G HA3 0.413 4.373 3.960 -0.000 0.000 0.267 243 G C 1.093 175.969 174.900 -0.041 0.000 1.406 243 G CA 0.047 45.131 45.100 -0.026 0.000 1.048 243 G HN 0.512 nan 8.290 nan 0.000 0.548 244 A N -0.218 122.582 122.820 -0.032 0.000 1.834 244 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 244 A C 2.185 179.741 177.584 -0.047 0.000 1.203 244 A CA 2.405 54.421 52.037 -0.036 0.000 0.621 244 A CB -0.984 18.001 19.000 -0.025 0.000 0.841 244 A HN 0.805 nan 8.150 nan 0.000 0.446 245 E N -0.570 119.605 120.200 -0.041 0.000 2.106 245 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 245 E C 1.872 178.432 176.600 -0.066 0.000 0.984 245 E CA 1.297 57.670 56.400 -0.046 0.000 0.806 245 E CB -0.502 29.180 29.700 -0.030 0.000 0.750 245 E HN 0.367 nan 8.360 nan 0.000 0.458 246 L N 1.207 122.388 121.223 -0.070 0.000 2.042 246 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 246 L C 2.286 179.049 176.870 -0.178 0.000 1.076 246 L CA 1.535 56.314 54.840 -0.101 0.000 0.749 246 L CB -0.571 41.439 42.059 -0.081 0.000 0.893 246 L HN 0.288 nan 8.230 nan 0.000 0.432 247 L N -0.427 120.695 121.223 -0.169 0.000 1.990 247 L HA -0.313 4.027 4.340 -0.000 0.000 0.213 247 L C 2.721 179.465 176.870 -0.210 0.000 1.072 247 L CA 2.101 56.811 54.840 -0.216 0.000 0.755 247 L CB -0.419 41.554 42.059 -0.143 0.000 0.889 247 L HN 0.369 nan 8.230 nan 0.000 0.432 248 K N 0.049 120.367 120.400 -0.137 0.000 2.152 248 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 248 K C 2.039 178.568 176.600 -0.118 0.000 1.048 248 K CA 1.453 57.675 56.287 -0.109 0.000 0.933 248 K CB 0.053 32.510 32.500 -0.072 0.000 0.721 248 K HN 0.276 nan 8.250 nan 0.000 0.447 249 K N 0.776 121.100 120.400 -0.126 0.000 2.097 249 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 249 K C 1.599 178.117 176.600 -0.136 0.000 1.049 249 K CA 1.448 57.672 56.287 -0.105 0.000 0.933 249 K CB -0.269 32.181 32.500 -0.083 0.000 0.717 249 K HN 0.425 nan 8.250 nan 0.000 0.442 250 I N 0.509 120.915 120.570 -0.273 0.000 3.731 250 I HA 0.068 4.238 4.170 -0.000 0.000 0.316 250 I C -0.326 175.635 176.117 -0.260 0.000 1.395 250 I CA -0.604 60.473 61.300 -0.372 0.000 1.294 250 I CB -0.442 36.893 38.000 -1.108 0.000 1.238 250 I HN -0.147 nan 8.210 nan 0.000 0.437 251 S N 1.304 116.925 115.700 -0.130 0.000 2.714 251 S HA 0.167 4.637 4.470 -0.000 0.000 0.318 251 S C 0.389 174.977 174.600 -0.019 0.000 1.219 251 S CA -0.126 58.030 58.200 -0.074 0.000 1.175 251 S CB 0.094 63.266 63.200 -0.046 0.000 0.961 251 S HN 0.662 nan 8.310 nan 0.000 0.518 252 S N 2.223 117.918 115.700 -0.007 0.000 2.286 252 S HA 0.078 4.548 4.470 -0.000 0.000 0.228 252 S C 0.474 175.118 174.600 0.074 0.000 0.668 252 S CA -0.661 57.572 58.200 0.055 0.000 0.856 252 S CB -0.407 62.866 63.200 0.122 0.000 1.333 252 S HN 0.745 nan 8.310 nan 0.000 0.406 253 E N 1.550 121.778 120.200 0.047 0.000 2.208 253 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 253 E C 1.945 178.596 176.600 0.086 0.000 1.014 253 E CA 1.477 57.908 56.400 0.052 0.000 0.819 253 E CB -0.172 29.547 29.700 0.032 0.000 0.735 253 E HN 0.668 nan 8.360 nan 0.000 0.469 254 S N 0.133 115.889 115.700 0.093 0.000 2.425 254 S HA -0.319 4.151 4.470 -0.000 0.000 0.256 254 S C 1.662 176.336 174.600 0.124 0.000 1.101 254 S CA 2.024 60.279 58.200 0.091 0.000 1.188 254 S CB -0.132 63.122 63.200 0.089 0.000 1.085 254 S HN 0.432 nan 8.310 nan 0.000 0.439 255 A N -0.676 122.284 122.820 0.234 0.000 2.603 255 A HA 0.466 4.786 4.320 -0.000 0.000 0.277 255 A C 1.667 179.485 177.584 0.390 0.000 1.158 255 A CA 0.087 52.316 52.037 0.319 0.000 0.962 255 A CB -0.046 19.137 19.000 0.305 0.000 1.189 255 A HN 0.505 nan 8.150 nan 0.000 0.552 256 R N 0.261 120.895 120.500 0.223 0.000 2.075 256 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 256 R C 1.574 177.923 176.300 0.082 0.000 1.114 256 R CA 1.162 57.302 56.100 0.067 0.000 0.972 256 R CB -0.159 30.130 30.300 -0.019 0.000 0.869 256 R HN 0.470 nan 8.270 nan 0.000 0.437 257 N N 0.180 118.941 118.700 0.101 0.000 2.061 257 N HA -0.241 4.499 4.740 -0.000 0.000 0.193 257 N C 1.584 177.201 175.510 0.179 0.000 1.030 257 N CA 1.225 54.335 53.050 0.099 0.000 0.856 257 N CB -0.439 38.091 38.487 0.071 0.000 1.023 257 N HN 0.243 nan 8.380 nan 0.000 0.424 258 Y N 1.790 122.117 120.300 0.045 0.000 2.315 258 Y HA -0.018 4.532 4.550 -0.000 0.000 0.288 258 Y C 2.216 178.143 175.900 0.044 0.000 1.154 258 Y CA 0.490 58.616 58.100 0.044 0.000 1.229 258 Y CB -0.507 37.985 38.460 0.054 0.000 0.980 258 Y HN 0.056 nan 8.280 nan 0.000 0.540 259 I N -0.555 120.089 120.570 0.123 0.000 2.163 259 I HA -0.370 3.800 4.170 -0.000 0.000 0.240 259 I C 2.343 178.458 176.117 -0.004 0.000 1.081 259 I CA 1.244 62.547 61.300 0.004 0.000 1.353 259 I CB -0.381 37.614 38.000 -0.007 0.000 1.054 259 I HN 0.196 nan 8.210 nan 0.000 0.407 260 Q N 0.560 120.373 119.800 0.022 0.000 1.978 260 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 260 Q C 1.197 177.211 176.000 0.023 0.000 1.013 260 Q CA 2.029 57.840 55.803 0.015 0.000 0.869 260 Q CB -0.515 28.238 28.738 0.024 0.000 0.953 260 Q HN 0.528 nan 8.270 nan 0.000 0.415 261 S N 0.667 116.404 115.700 0.062 0.000 3.072 261 S HA 0.434 4.904 4.470 -0.000 0.000 0.306 261 S C -0.574 174.056 174.600 0.050 0.000 1.207 261 S CA -0.469 57.772 58.200 0.069 0.000 1.008 261 S CB 0.164 63.428 63.200 0.107 0.000 1.390 261 S HN 0.219 nan 8.310 nan 0.000 0.523 262 L N 2.811 124.032 121.223 -0.004 0.000 2.676 262 L HA 0.342 4.682 4.340 -0.000 0.000 0.262 262 L C -0.193 176.655 176.870 -0.035 0.000 0.932 262 L CA 0.066 54.872 54.840 -0.056 0.000 0.932 262 L CB 1.942 43.920 42.059 -0.135 0.000 1.355 262 L HN 0.593 nan 8.230 nan 0.000 0.421 263 T N 3.976 118.514 114.554 -0.027 0.000 2.656 263 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 263 T C 0.207 174.897 174.700 -0.018 0.000 1.017 263 T CA 0.408 62.498 62.100 -0.016 0.000 1.216 263 T CB -0.218 68.643 68.868 -0.013 0.000 0.989 263 T HN 0.573 nan 8.240 nan 0.000 0.507 264 Q N 4.745 124.539 119.800 -0.011 0.000 2.269 264 Q HA 0.059 4.399 4.340 -0.000 0.000 0.300 264 Q C -0.762 175.236 176.000 -0.003 0.000 1.070 264 Q CA 0.679 56.477 55.803 -0.008 0.000 0.957 264 Q CB 0.258 28.994 28.738 -0.004 0.000 1.131 264 Q HN 0.643 nan 8.270 nan 0.000 0.377 265 M N 6.582 126.182 119.600 0.001 0.000 2.393 265 M HA 0.484 4.964 4.480 -0.000 0.000 0.316 265 M C -2.299 174.015 176.300 0.023 0.000 1.087 265 M CA -2.060 53.246 55.300 0.010 0.000 0.937 265 M CB 2.484 35.090 32.600 0.010 0.000 1.668 265 M HN 0.543 nan 8.290 nan 0.000 0.438 266 P HA 0.221 nan 4.420 nan 0.000 0.286 266 P C -1.544 175.793 177.300 0.061 0.000 1.261 266 P CA -0.615 62.508 63.100 0.037 0.000 0.821 266 P CB 1.083 32.801 31.700 0.030 0.000 1.013 267 K N 3.993 124.438 120.400 0.074 0.000 2.383 267 K HA 0.171 4.491 4.320 -0.000 0.000 0.286 267 K C 0.257 176.935 176.600 0.130 0.000 1.051 267 K CA -0.184 56.174 56.287 0.118 0.000 0.974 267 K CB 0.003 32.564 32.500 0.100 0.000 0.968 267 K HN 0.427 nan 8.250 nan 0.000 0.475 268 M N 3.011 122.714 119.600 0.172 0.000 2.232 268 M HA -0.027 4.453 4.480 -0.000 0.000 0.321 268 M C 0.451 176.893 176.300 0.237 0.000 1.101 268 M CA -0.118 55.272 55.300 0.149 0.000 1.181 268 M CB 0.259 32.911 32.600 0.088 0.000 1.432 268 M HN 0.604 nan 8.290 nan 0.000 0.457 269 N N 0.742 119.540 118.700 0.164 0.000 2.402 269 N HA 0.103 4.843 4.740 -0.000 0.000 0.252 269 N C 0.007 175.681 175.510 0.273 0.000 1.118 269 N CA 0.053 53.219 53.050 0.193 0.000 0.945 269 N CB 0.218 38.765 38.487 0.101 0.000 1.147 269 N HN 0.423 nan 8.380 nan 0.000 0.495 270 F N 2.449 122.443 119.950 0.073 0.000 2.287 270 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 270 F C 2.192 178.103 175.800 0.185 0.000 1.069 270 F CA 1.052 59.157 58.000 0.175 0.000 1.372 270 F CB -0.748 38.383 39.000 0.218 0.000 1.056 270 F HN 0.701 nan 8.300 nan 0.000 0.523 271 A N -0.329 122.650 122.820 0.265 0.000 2.014 271 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 271 A C 2.124 179.756 177.584 0.080 0.000 1.163 271 A CA 1.426 53.556 52.037 0.155 0.000 0.652 271 A CB -0.464 18.599 19.000 0.105 0.000 0.808 271 A HN 0.293 nan 8.150 nan 0.000 0.449 272 N N 0.062 118.789 118.700 0.044 0.000 2.207 272 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 272 N C 1.711 177.156 175.510 -0.108 0.000 1.020 272 N CA 1.466 54.504 53.050 -0.020 0.000 0.858 272 N CB -0.553 37.923 38.487 -0.018 0.000 0.991 272 N HN 0.223 nan 8.380 nan 0.000 0.427 273 V N 0.668 120.453 119.914 -0.214 0.000 2.237 273 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 273 V C 0.469 176.204 176.094 -0.598 0.000 1.046 273 V CA 1.227 63.218 62.300 -0.514 0.000 1.007 273 V CB -0.567 30.726 31.823 -0.884 0.000 0.638 273 V HN 0.117 nan 8.190 nan 0.000 0.445 274 F N 0.942 120.808 119.950 -0.140 0.000 2.573 274 F HA 0.420 4.947 4.527 -0.000 0.000 0.349 274 F C 0.411 176.170 175.800 -0.068 0.000 1.213 274 F CA -0.487 57.442 58.000 -0.119 0.000 1.300 274 F CB -0.872 38.048 39.000 -0.134 0.000 1.661 274 F HN -0.004 nan 8.300 nan 0.000 0.616 275 I N 1.999 122.581 120.570 0.019 0.000 2.533 275 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 275 I C 1.266 177.403 176.117 0.033 0.000 1.109 275 I CA 0.195 61.505 61.300 0.017 0.000 1.412 275 I CB 0.085 38.074 38.000 -0.019 0.000 1.396 275 I HN 0.777 nan 8.210 nan 0.000 0.543 276 G N 4.433 113.254 108.800 0.035 0.000 2.149 276 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.235 276 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.235 276 G C 0.059 174.983 174.900 0.040 0.000 1.018 276 G CA -0.052 45.067 45.100 0.031 0.000 0.728 276 G HN 1.004 nan 8.290 nan 0.000 0.508 277 A N -0.231 122.618 122.820 0.049 0.000 2.324 277 A HA 0.719 5.039 4.320 -0.000 0.000 0.330 277 A C 0.500 178.092 177.584 0.015 0.000 1.165 277 A CA -0.217 51.840 52.037 0.033 0.000 0.813 277 A CB 0.727 19.745 19.000 0.029 0.000 1.197 277 A HN 0.743 nan 8.150 nan 0.000 0.484 278 N N 2.442 121.152 118.700 0.016 0.000 2.332 278 N HA -0.025 4.715 4.740 -0.000 0.000 0.274 278 N C -1.719 173.772 175.510 -0.032 0.000 1.351 278 N CA -0.940 52.126 53.050 0.026 0.000 0.875 278 N CB 0.637 39.193 38.487 0.116 0.000 1.140 278 N HN 0.206 nan 8.380 nan 0.000 0.489 279 P HA -0.182 nan 4.420 nan 0.000 0.218 279 P C 1.425 178.701 177.300 -0.040 0.000 1.147 279 P CA 0.661 63.755 63.100 -0.010 0.000 0.827 279 P CB 0.287 31.994 31.700 0.011 0.000 0.778 280 L N -1.045 120.154 121.223 -0.039 0.000 2.109 280 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 280 L C 2.254 178.944 176.870 -0.300 0.000 1.086 280 L CA 1.776 56.599 54.840 -0.029 0.000 0.760 280 L CB -1.617 40.513 42.059 0.119 0.000 0.910 280 L HN -0.114 nan 8.230 nan 0.000 0.437 281 A N -1.436 120.995 122.820 -0.649 0.000 1.873 281 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 281 A C 2.309 179.585 177.584 -0.514 0.000 1.186 281 A CA 1.711 53.096 52.037 -1.088 0.000 0.616 281 A CB -0.969 17.476 19.000 -0.926 0.000 0.823 281 A HN 0.200 nan 8.150 nan 0.000 0.442 282 V N 0.748 120.494 119.914 -0.280 0.000 2.324 282 V HA -0.309 3.811 4.120 -0.000 0.000 0.250 282 V C 2.347 178.399 176.094 -0.069 0.000 1.060 282 V CA 2.640 64.871 62.300 -0.116 0.000 1.042 282 V CB -0.832 31.008 31.823 0.027 0.000 0.650 282 V HN 0.751 nan 8.190 nan 0.000 0.450 283 D N -0.488 119.864 120.400 -0.080 0.000 2.097 283 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 283 D C 1.937 178.187 176.300 -0.083 0.000 0.989 283 D CA 1.124 55.108 54.000 -0.026 0.000 0.827 283 D CB -0.153 40.689 40.800 0.071 0.000 0.966 283 D HN 0.268 nan 8.370 nan 0.000 0.456 284 L N 0.296 121.379 121.223 -0.233 0.000 2.083 284 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 284 L C 2.132 178.875 176.870 -0.212 0.000 1.083 284 L CA 1.338 55.953 54.840 -0.374 0.000 0.752 284 L CB -0.525 41.185 42.059 -0.581 0.000 0.899 284 L HN 0.230 nan 8.230 nan 0.000 0.433 285 L N -0.914 120.199 121.223 -0.185 0.000 1.976 285 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 285 L C 2.578 179.449 176.870 0.003 0.000 1.071 285 L CA 1.644 56.445 54.840 -0.066 0.000 0.746 285 L CB -0.787 41.234 42.059 -0.064 0.000 0.890 285 L HN 0.337 nan 8.230 nan 0.000 0.432 286 E N 0.176 120.295 120.200 -0.135 0.000 2.169 286 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 286 E C 2.011 178.475 176.600 -0.226 0.000 1.016 286 E CA 1.242 57.353 56.400 -0.482 0.000 0.817 286 E CB -0.073 29.384 29.700 -0.404 0.000 0.736 286 E HN 0.401 nan 8.360 nan 0.000 0.462 287 K N -0.458 119.874 120.400 -0.112 0.000 2.305 287 K HA 0.096 4.416 4.320 -0.000 0.000 0.199 287 K C 2.047 178.648 176.600 0.002 0.000 1.047 287 K CA 0.477 56.739 56.287 -0.041 0.000 0.976 287 K CB 0.034 32.523 32.500 -0.019 0.000 0.765 287 K HN 0.227 nan 8.250 nan 0.000 0.474 288 M N 0.044 119.638 119.600 -0.010 0.000 2.384 288 M HA 0.065 4.545 4.480 -0.000 0.000 0.258 288 M C 1.020 177.363 176.300 0.072 0.000 1.130 288 M CA 0.695 56.013 55.300 0.029 0.000 1.187 288 M CB -0.193 32.393 32.600 -0.022 0.000 1.307 288 M HN -0.112 nan 8.290 nan 0.000 0.468 289 L N 2.614 123.846 121.223 0.015 0.000 2.436 289 L HA 0.105 4.445 4.340 -0.000 0.000 0.244 289 L C -0.900 176.133 176.870 0.271 0.000 1.396 289 L CA -0.488 54.356 54.840 0.007 0.000 1.217 289 L CB -0.751 41.346 42.059 0.063 0.000 1.420 289 L HN -0.011 nan 8.230 nan 0.000 0.434 290 V N 1.292 121.431 119.914 0.375 0.000 2.448 290 V HA 0.119 4.239 4.120 -0.000 0.000 0.295 290 V C 0.941 177.268 176.094 0.389 0.000 1.025 290 V CA -0.690 61.794 62.300 0.306 0.000 0.859 290 V CB 2.219 34.143 31.823 0.169 0.000 0.988 290 V HN 0.343 nan 8.190 nan 0.000 0.431 291 L N 2.573 123.974 121.223 0.297 0.000 1.951 291 L HA -0.092 4.248 4.340 -0.000 0.000 0.222 291 L C 1.381 178.334 176.870 0.138 0.000 1.078 291 L CA 1.933 56.885 54.840 0.187 0.000 0.778 291 L CB -0.463 41.676 42.059 0.133 0.000 0.893 291 L HN 0.837 nan 8.230 nan 0.000 0.436 292 D N -0.569 119.898 120.400 0.112 0.000 2.389 292 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 292 D C 0.857 177.226 176.300 0.114 0.000 1.255 292 D CA 0.620 54.674 54.000 0.089 0.000 0.914 292 D CB 0.759 41.592 40.800 0.055 0.000 1.116 292 D HN 0.393 nan 8.370 nan 0.000 0.502 293 S N 2.380 118.153 115.700 0.121 0.000 2.894 293 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 293 S C 0.700 175.369 174.600 0.115 0.000 0.971 293 S CA -0.019 58.262 58.200 0.134 0.000 1.005 293 S CB 0.249 63.530 63.200 0.135 0.000 0.799 293 S HN 0.362 nan 8.310 nan 0.000 0.527 294 D N 1.671 122.128 120.400 0.095 0.000 2.652 294 D HA 0.129 4.769 4.640 -0.000 0.000 0.261 294 D C 1.459 177.806 176.300 0.078 0.000 1.024 294 D CA 0.592 54.638 54.000 0.078 0.000 0.958 294 D CB -0.049 40.786 40.800 0.057 0.000 1.113 294 D HN 0.189 nan 8.370 nan 0.000 0.471 295 K N 1.218 121.662 120.400 0.074 0.000 2.591 295 K HA 0.072 4.392 4.320 -0.000 0.000 0.197 295 K C 0.456 177.106 176.600 0.082 0.000 1.026 295 K CA -0.083 56.245 56.287 0.068 0.000 1.127 295 K CB 0.342 32.873 32.500 0.053 0.000 0.871 295 K HN 0.031 nan 8.250 nan 0.000 0.507 296 R N 1.448 122.012 120.500 0.107 0.000 2.308 296 R HA 0.214 4.554 4.340 -0.000 0.000 0.305 296 R C 0.311 176.677 176.300 0.109 0.000 1.053 296 R CA -0.285 55.891 56.100 0.127 0.000 0.957 296 R CB 0.555 30.962 30.300 0.178 0.000 1.022 296 R HN 0.075 nan 8.270 nan 0.000 0.461 297 I N 2.690 123.315 120.570 0.093 0.000 3.292 297 I HA -0.059 4.111 4.170 -0.000 0.000 0.279 297 I C 0.199 176.374 176.117 0.097 0.000 1.268 297 I CA 0.711 62.062 61.300 0.085 0.000 1.342 297 I CB 0.756 38.796 38.000 0.066 0.000 1.366 297 I HN 0.811 nan 8.210 nan 0.000 0.615 298 T N 2.567 117.175 114.554 0.089 0.000 2.932 298 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 298 T C 0.735 175.465 174.700 0.050 0.000 1.039 298 T CA -0.271 61.885 62.100 0.092 0.000 1.024 298 T CB 1.670 70.597 68.868 0.100 0.000 1.090 298 T HN 0.691 nan 8.240 nan 0.000 0.496 299 A N 0.884 123.706 122.820 0.003 0.000 2.032 299 A HA 0.134 4.454 4.320 -0.000 0.000 0.221 299 A C 2.386 179.948 177.584 -0.036 0.000 1.165 299 A CA 2.067 54.059 52.037 -0.075 0.000 0.645 299 A CB -1.421 17.445 19.000 -0.223 0.000 0.807 299 A HN 1.218 nan 8.150 nan 0.000 0.453 300 A N -0.544 122.283 122.820 0.011 0.000 1.831 300 A HA -0.126 4.194 4.320 -0.000 0.000 0.213 300 A C 2.048 179.665 177.584 0.056 0.000 1.223 300 A CA 1.325 53.384 52.037 0.036 0.000 0.604 300 A CB -0.752 18.279 19.000 0.052 0.000 0.878 300 A HN 0.581 nan 8.150 nan 0.000 0.450 301 Q N -0.143 119.698 119.800 0.068 0.000 2.217 301 Q HA -0.212 4.128 4.340 -0.000 0.000 0.209 301 Q C 2.263 178.337 176.000 0.122 0.000 0.988 301 Q CA 1.528 57.384 55.803 0.087 0.000 0.878 301 Q CB -0.526 28.266 28.738 0.090 0.000 0.909 301 Q HN 0.670 nan 8.270 nan 0.000 0.424 302 A N 1.144 124.031 122.820 0.111 0.000 1.877 302 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 302 A C 2.116 179.853 177.584 0.254 0.000 1.186 302 A CA 1.072 53.215 52.037 0.177 0.000 0.620 302 A CB -0.706 18.362 19.000 0.113 0.000 0.822 302 A HN 0.275 nan 8.150 nan 0.000 0.443 303 L N -0.540 120.724 121.223 0.068 0.000 1.963 303 L HA -0.217 4.123 4.340 -0.000 0.000 0.220 303 L C 2.143 179.013 176.870 -0.001 0.000 1.076 303 L CA 1.309 56.181 54.840 0.054 0.000 0.772 303 L CB -0.452 41.671 42.059 0.106 0.000 0.892 303 L HN 0.387 nan 8.230 nan 0.000 0.435 304 A N -0.994 121.659 122.820 -0.278 0.000 3.077 304 A HA 0.082 4.402 4.320 -0.000 0.000 0.255 304 A C -0.150 177.369 177.584 -0.107 0.000 1.728 304 A CA -0.046 51.559 52.037 -0.719 0.000 1.383 304 A CB -1.059 17.701 19.000 -0.400 0.000 1.097 304 A HN 0.393 nan 8.150 nan 0.000 0.634 305 H N 0.423 119.502 119.070 0.015 0.000 2.637 305 H HA 0.522 5.078 4.556 -0.000 0.000 0.363 305 H C 0.998 176.379 175.328 0.089 0.000 1.131 305 H CA 0.066 56.170 56.048 0.094 0.000 1.183 305 H CB 2.012 31.884 29.762 0.184 0.000 1.637 305 H HN 0.251 nan 8.280 nan 0.000 0.531 306 A N 4.344 126.989 122.820 -0.292 0.000 1.985 306 A HA -0.321 3.999 4.320 -0.000 0.000 0.223 306 A C 1.705 179.330 177.584 0.069 0.000 1.189 306 A CA 2.027 53.994 52.037 -0.118 0.000 0.658 306 A CB -1.148 17.723 19.000 -0.215 0.000 0.820 306 A HN 0.790 nan 8.150 nan 0.000 0.464 307 Y N -0.734 119.599 120.300 0.054 0.000 2.256 307 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 307 Y C 0.144 175.818 175.900 -0.378 0.000 1.155 307 Y CA 0.584 58.559 58.100 -0.209 0.000 1.203 307 Y CB -0.341 37.859 38.460 -0.432 0.000 0.980 307 Y HN 0.264 nan 8.280 nan 0.000 0.530 308 F N -0.459 119.590 119.950 0.164 0.000 2.395 308 F HA 0.482 5.009 4.527 -0.000 0.000 0.347 308 F C 0.952 176.792 175.800 0.066 0.000 1.157 308 F CA -0.155 57.879 58.000 0.058 0.000 1.272 308 F CB -0.075 39.018 39.000 0.155 0.000 1.607 308 F HN 0.011 nan 8.300 nan 0.000 0.571 309 A N 1.043 123.912 122.820 0.080 0.000 1.881 309 A HA -0.019 4.301 4.320 -0.000 0.000 0.210 309 A C 1.864 179.405 177.584 -0.071 0.000 1.239 309 A CA 0.341 52.400 52.037 0.037 0.000 0.629 309 A CB -0.255 18.737 19.000 -0.014 0.000 0.906 309 A HN 0.537 nan 8.150 nan 0.000 0.460 310 Q N -1.626 118.030 119.800 -0.239 0.000 2.561 310 Q HA -0.107 4.233 4.340 -0.000 0.000 0.217 310 Q C 0.411 175.898 176.000 -0.856 0.000 0.980 310 Q CA 1.083 56.565 55.803 -0.535 0.000 0.927 310 Q CB -0.146 28.178 28.738 -0.691 0.000 0.980 310 Q HN 0.873 nan 8.270 nan 0.000 0.525 311 Y N -3.020 117.175 120.300 -0.175 0.000 2.844 311 Y HA 0.070 4.620 4.550 -0.000 0.000 0.256 311 Y C 0.615 176.316 175.900 -0.331 0.000 1.134 311 Y CA -0.691 57.177 58.100 -0.386 0.000 1.209 311 Y CB -0.247 37.701 38.460 -0.853 0.000 1.418 311 Y HN 0.089 nan 8.280 nan 0.000 0.459 312 H N 2.235 121.225 119.070 -0.132 0.000 3.173 312 H HA 0.210 4.766 4.556 -0.000 0.000 0.311 312 H C -1.047 174.376 175.328 0.158 0.000 0.972 312 H CA 0.837 56.984 56.048 0.164 0.000 1.384 312 H CB 0.222 30.126 29.762 0.236 0.000 1.349 312 H HN 0.332 nan 8.280 nan 0.000 0.582 313 D N 5.633 125.791 120.400 -0.403 0.000 2.300 313 D HA 0.126 4.766 4.640 -0.000 0.000 0.218 313 D C -2.417 173.755 176.300 -0.213 0.000 1.326 313 D CA -1.055 52.740 54.000 -0.340 0.000 0.942 313 D CB 0.959 41.714 40.800 -0.074 0.000 1.495 313 D HN 0.354 nan 8.370 nan 0.000 0.545 314 P HA 0.039 nan 4.420 nan 0.000 0.250 314 P C -0.628 176.670 177.300 -0.004 0.000 1.239 314 P CA 0.520 63.600 63.100 -0.033 0.000 0.756 314 P CB 0.221 31.941 31.700 0.032 0.000 1.013 315 D N -0.177 120.214 120.400 -0.015 0.000 2.891 315 D HA 0.108 4.748 4.640 -0.000 0.000 0.332 315 D C 0.268 176.583 176.300 0.025 0.000 1.369 315 D CA -0.100 53.904 54.000 0.006 0.000 0.827 315 D CB 0.575 41.374 40.800 -0.002 0.000 1.141 315 D HN 0.074 nan 8.370 nan 0.000 0.464 316 D N 0.635 121.062 120.400 0.045 0.000 2.148 316 D HA -0.085 4.555 4.640 -0.000 0.000 0.577 316 D C -0.265 176.096 176.300 0.102 0.000 0.879 316 D CA 0.223 54.267 54.000 0.074 0.000 1.108 316 D CB 0.632 41.486 40.800 0.089 0.000 1.442 316 D HN 0.278 nan 8.370 nan 0.000 0.437 317 E N 1.991 122.245 120.200 0.090 0.000 2.206 317 E HA 0.436 4.786 4.350 -0.000 0.000 0.244 317 E C -2.370 174.266 176.600 0.060 0.000 1.055 317 E CA -1.643 54.817 56.400 0.099 0.000 0.970 317 E CB 0.959 30.694 29.700 0.058 0.000 1.256 317 E HN 0.016 nan 8.360 nan 0.000 0.456 318 P HA -0.086 nan 4.420 nan 0.000 0.282 318 P C -0.228 177.001 177.300 -0.119 0.000 1.273 318 P CA -0.207 62.867 63.100 -0.044 0.000 0.809 318 P CB 0.391 32.061 31.700 -0.049 0.000 1.246 319 V N -6.252 113.523 119.914 -0.233 0.000 3.226 319 V HA 0.896 5.016 4.120 -0.000 0.000 0.304 319 V C -1.178 174.463 176.094 -0.755 0.000 1.336 319 V CA -1.206 60.844 62.300 -0.416 0.000 1.066 319 V CB 1.319 33.013 31.823 -0.216 0.000 1.087 319 V HN 0.659 nan 8.190 nan 0.000 0.451 320 A N 0.276 122.575 122.820 -0.868 0.000 2.330 320 A HA 0.870 5.190 4.320 -0.000 0.000 0.329 320 A C -0.850 176.615 177.584 -0.199 0.000 1.135 320 A CA -0.589 51.028 52.037 -0.701 0.000 0.817 320 A CB 0.948 19.440 19.000 -0.845 0.000 1.269 320 A HN 1.002 nan 8.150 nan 0.000 0.469 321 D N 1.702 122.090 120.400 -0.019 0.000 2.304 321 D HA 0.450 5.090 4.640 -0.000 0.000 0.250 321 D C -2.536 173.891 176.300 0.212 0.000 1.107 321 D CA -0.674 53.367 54.000 0.068 0.000 0.885 321 D CB 0.287 41.109 40.800 0.035 0.000 1.192 321 D HN 0.200 nan 8.370 nan 0.000 0.436 322 P HA -0.145 nan 4.420 nan 0.000 0.259 322 P C -0.847 176.604 177.300 0.251 0.000 1.163 322 P CA 0.289 63.478 63.100 0.149 0.000 0.760 322 P CB 0.041 31.796 31.700 0.092 0.000 0.762 323 Y N 3.302 123.622 120.300 0.032 0.000 2.511 323 Y HA 0.051 4.601 4.550 -0.000 0.000 0.332 323 Y C 0.728 176.689 175.900 0.102 0.000 1.177 323 Y CA -0.102 57.971 58.100 -0.045 0.000 1.422 323 Y CB 0.207 38.544 38.460 -0.206 0.000 1.271 323 Y HN 0.286 nan 8.280 nan 0.000 0.550 324 D N 5.340 125.529 120.400 -0.351 0.000 2.422 324 D HA 0.040 4.680 4.640 -0.000 0.000 0.227 324 D C -0.119 176.048 176.300 -0.221 0.000 1.190 324 D CA -0.215 53.676 54.000 -0.181 0.000 0.905 324 D CB 0.321 41.096 40.800 -0.042 0.000 1.034 324 D HN 0.720 nan 8.370 nan 0.000 0.507 325 Q N 1.507 121.228 119.800 -0.132 0.000 2.294 325 Q HA 0.069 4.409 4.340 -0.000 0.000 0.256 325 Q C 0.145 175.989 176.000 -0.261 0.000 0.907 325 Q CA -0.339 55.275 55.803 -0.316 0.000 0.954 325 Q CB -0.212 28.420 28.738 -0.176 0.000 1.102 325 Q HN 0.223 nan 8.270 nan 0.000 0.429 326 S N -0.034 115.734 115.700 0.114 0.000 2.981 326 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 326 S C 0.338 175.156 174.600 0.362 0.000 0.983 326 S CA -0.031 58.294 58.200 0.209 0.000 1.051 326 S CB -0.901 62.431 63.200 0.220 0.000 0.814 326 S HN 0.700 nan 8.310 nan 0.000 0.518 327 F N -1.801 118.253 119.950 0.173 0.000 2.801 327 F HA 0.463 4.990 4.527 -0.000 0.000 0.381 327 F C 1.360 177.356 175.800 0.327 0.000 0.861 327 F CA -0.276 57.887 58.000 0.271 0.000 1.039 327 F CB -0.324 38.962 39.000 0.477 0.000 1.041 327 F HN 0.167 nan 8.300 nan 0.000 0.596 328 E N 1.965 121.871 120.200 -0.490 0.000 2.110 328 E HA -0.243 4.107 4.350 -0.000 0.000 0.225 328 E C 1.932 178.541 176.600 0.015 0.000 1.063 328 E CA 3.298 59.549 56.400 -0.249 0.000 0.906 328 E CB -0.481 29.048 29.700 -0.286 0.000 0.795 328 E HN 0.428 nan 8.360 nan 0.000 0.479 329 S N -0.315 115.390 115.700 0.008 0.000 2.345 329 S HA -0.082 4.388 4.470 -0.000 0.000 0.220 329 S C 0.910 175.578 174.600 0.114 0.000 1.031 329 S CA 0.594 58.825 58.200 0.053 0.000 0.996 329 S CB -0.290 62.925 63.200 0.026 0.000 0.882 329 S HN 0.217 nan 8.310 nan 0.000 0.445 330 R N 2.693 123.269 120.500 0.126 0.000 2.513 330 R HA -0.033 4.307 4.340 -0.000 0.000 0.333 330 R C -0.692 175.751 176.300 0.239 0.000 0.925 330 R CA 0.306 56.483 56.100 0.129 0.000 1.072 330 R CB -0.067 30.280 30.300 0.078 0.000 0.914 330 R HN 0.215 nan 8.270 nan 0.000 0.408 331 D N 4.282 124.801 120.400 0.199 0.000 2.177 331 D HA 0.300 4.940 4.640 -0.000 0.000 0.247 331 D C -0.146 176.255 176.300 0.169 0.000 1.063 331 D CA -0.244 53.941 54.000 0.309 0.000 0.867 331 D CB 0.969 41.900 40.800 0.218 0.000 1.168 331 D HN 0.368 nan 8.370 nan 0.000 0.445 332 L N 1.455 122.818 121.223 0.233 0.000 2.348 332 L HA 0.572 4.912 4.340 -0.000 0.000 0.258 332 L C -0.136 176.829 176.870 0.158 0.000 1.208 332 L CA -1.019 53.783 54.840 -0.063 0.000 1.241 332 L CB 0.543 42.169 42.059 -0.722 0.000 1.742 332 L HN 0.174 nan 8.230 nan 0.000 0.544 333 L N -0.104 121.142 121.223 0.039 0.000 2.304 333 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 333 L C 0.950 177.979 176.870 0.265 0.000 1.010 333 L CA -0.761 54.164 54.840 0.142 0.000 0.813 333 L CB 1.717 43.802 42.059 0.044 0.000 1.315 333 L HN 0.497 nan 8.230 nan 0.000 0.445 334 I N 0.239 120.951 120.570 0.236 0.000 2.068 334 I HA -0.328 3.842 4.170 -0.000 0.000 0.238 334 I C 1.892 178.119 176.117 0.183 0.000 1.046 334 I CA 1.668 63.117 61.300 0.248 0.000 1.306 334 I CB -0.290 37.794 38.000 0.140 0.000 1.023 334 I HN 0.726 nan 8.210 nan 0.000 0.399 335 D N 0.692 121.132 120.400 0.066 0.000 2.116 335 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 335 D C 2.052 178.326 176.300 -0.043 0.000 0.998 335 D CA 1.506 55.497 54.000 -0.015 0.000 0.836 335 D CB -0.401 40.380 40.800 -0.032 0.000 0.951 335 D HN 0.496 nan 8.370 nan 0.000 0.449 336 E N 0.230 120.390 120.200 -0.066 0.000 2.055 336 E HA -0.233 4.117 4.350 -0.000 0.000 0.209 336 E C 2.288 178.759 176.600 -0.216 0.000 1.036 336 E CA 1.527 57.810 56.400 -0.195 0.000 0.849 336 E CB -0.471 29.036 29.700 -0.323 0.000 0.767 336 E HN 0.451 nan 8.360 nan 0.000 0.461 337 W N 1.312 122.555 121.300 -0.096 0.000 2.338 337 W HA -0.156 4.504 4.660 -0.000 0.000 0.304 337 W C 2.541 179.004 176.519 -0.094 0.000 1.212 337 W CA 1.043 58.316 57.345 -0.119 0.000 1.264 337 W CB -0.311 29.161 29.460 0.019 0.000 1.142 337 W HN 0.077 nan 8.180 nan 0.000 0.512 338 K N 0.910 121.331 120.400 0.035 0.000 2.020 338 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 338 K C 2.262 178.740 176.600 -0.203 0.000 1.050 338 K CA 2.573 58.566 56.287 -0.491 0.000 0.929 338 K CB -0.511 31.597 32.500 -0.653 0.000 0.714 338 K HN 0.173 nan 8.250 nan 0.000 0.443 339 S N 0.643 116.274 115.700 -0.115 0.000 2.383 339 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 339 S C 1.951 176.563 174.600 0.020 0.000 1.026 339 S CA 0.905 59.079 58.200 -0.044 0.000 0.981 339 S CB -0.409 62.749 63.200 -0.069 0.000 0.818 339 S HN 0.300 nan 8.310 nan 0.000 0.472 340 L N 2.169 123.371 121.223 -0.037 0.000 2.141 340 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 340 L C 2.426 179.403 176.870 0.178 0.000 1.094 340 L CA 1.811 56.620 54.840 -0.051 0.000 0.763 340 L CB -1.414 40.440 42.059 -0.343 0.000 0.908 340 L HN 0.319 nan 8.230 nan 0.000 0.437 341 T N -2.005 112.732 114.554 0.306 0.000 2.896 341 T HA -0.174 4.176 4.350 -0.000 0.000 0.263 341 T C 1.606 176.503 174.700 0.329 0.000 1.050 341 T CA 1.230 63.641 62.100 0.518 0.000 1.140 341 T CB -0.335 68.966 68.868 0.721 0.000 0.877 341 T HN 0.401 nan 8.240 nan 0.000 0.457 342 Y N 2.435 122.748 120.300 0.021 0.000 2.165 342 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 342 Y C 2.118 177.920 175.900 -0.163 0.000 1.155 342 Y CA 1.204 59.096 58.100 -0.348 0.000 1.164 342 Y CB -0.504 37.606 38.460 -0.583 0.000 0.978 342 Y HN 0.129 nan 8.280 nan 0.000 0.513 343 D N 0.118 120.487 120.400 -0.053 0.000 2.088 343 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 343 D C 2.073 178.333 176.300 -0.066 0.000 0.992 343 D CA 1.844 55.788 54.000 -0.094 0.000 0.831 343 D CB -0.380 40.425 40.800 0.009 0.000 0.973 343 D HN 0.382 nan 8.370 nan 0.000 0.447 344 E N 0.332 120.562 120.200 0.049 0.000 2.187 344 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 344 E C 2.071 178.699 176.600 0.047 0.000 1.004 344 E CA 0.652 57.093 56.400 0.069 0.000 0.813 344 E CB -0.178 29.579 29.700 0.096 0.000 0.736 344 E HN 0.082 nan 8.360 nan 0.000 0.468 345 V N 0.433 120.337 119.914 -0.017 0.000 2.261 345 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 345 V C 2.249 178.312 176.094 -0.051 0.000 1.047 345 V CA 1.535 63.814 62.300 -0.036 0.000 1.015 345 V CB -0.446 31.325 31.823 -0.085 0.000 0.642 345 V HN 0.318 nan 8.190 nan 0.000 0.446 346 I N 1.279 121.706 120.570 -0.239 0.000 2.163 346 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 346 I C 2.131 178.225 176.117 -0.039 0.000 1.085 346 I CA 2.203 63.378 61.300 -0.210 0.000 1.347 346 I CB -1.283 36.509 38.000 -0.348 0.000 1.044 346 I HN 0.534 nan 8.210 nan 0.000 0.408 347 S N 0.502 116.195 115.700 -0.012 0.000 2.767 347 S HA 0.043 4.513 4.470 -0.000 0.000 0.253 347 S C 0.255 174.918 174.600 0.105 0.000 1.082 347 S CA -0.546 57.672 58.200 0.030 0.000 1.148 347 S CB -1.324 61.885 63.200 0.015 0.000 0.808 347 S HN 0.183 nan 8.310 nan 0.000 0.466 348 F N 2.779 122.723 119.950 -0.009 0.000 2.494 348 F HA 0.349 4.876 4.527 -0.000 0.000 0.369 348 F C -0.064 175.752 175.800 0.026 0.000 1.098 348 F CA -1.529 56.482 58.000 0.019 0.000 1.154 348 F CB 0.440 39.465 39.000 0.042 0.000 1.103 348 F HN 0.054 nan 8.300 nan 0.000 0.549 349 V N 9.671 129.293 119.914 -0.488 0.000 2.326 349 V HA 0.150 4.270 4.120 -0.000 0.000 0.249 349 V C -1.546 174.045 176.094 -0.839 0.000 1.114 349 V CA -1.418 60.592 62.300 -0.483 0.000 1.028 349 V CB -0.748 30.944 31.823 -0.219 0.000 1.170 349 V HN 0.637 nan 8.190 nan 0.000 0.494 350 P HA 0.113 nan 4.420 nan 0.000 0.271 350 P C -2.513 174.626 177.300 -0.269 0.000 1.233 350 P CA -0.808 61.924 63.100 -0.614 0.000 0.795 350 P CB -0.197 31.349 31.700 -0.256 0.000 0.936 351 P HA 0.293 nan 4.420 nan 0.000 0.287 351 P C -2.399 174.889 177.300 -0.020 0.000 1.281 351 P CA -1.571 61.515 63.100 -0.024 0.000 0.781 351 P CB 0.449 32.173 31.700 0.040 0.000 0.903 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 352 P CB 0.000 31.688 31.700 -0.021 0.000 0.726