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 3ie2_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVV DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 R N 3.427 123.919 120.500 -0.012 0.000 2.651 2 R HA 0.814 5.154 4.340 -0.001 0.000 0.278 2 R C -1.584 174.697 176.300 -0.032 0.000 1.010 2 R CA -0.933 55.154 56.100 -0.021 0.000 0.896 2 R CB 2.050 32.336 30.300 -0.024 0.000 1.211 2 R HN 0.531 nan 8.270 nan 0.000 0.456 3 I N 2.019 122.565 120.570 -0.041 0.000 2.412 3 I HA 0.462 4.632 4.170 -0.001 0.000 0.296 3 I C -1.146 174.911 176.117 -0.101 0.000 0.987 3 I CA -1.028 60.236 61.300 -0.060 0.000 1.180 3 I CB 2.111 40.083 38.000 -0.047 0.000 1.340 3 I HN 0.541 nan 8.210 nan 0.000 0.455 4 V N 9.424 129.262 119.914 -0.127 0.000 2.407 4 V HA 0.467 4.587 4.120 -0.001 0.000 0.291 4 V C -2.204 173.688 176.094 -0.337 0.000 1.018 4 V CA -1.585 60.576 62.300 -0.232 0.000 0.842 4 V CB 1.233 32.919 31.823 -0.228 0.000 0.996 4 V HN 0.676 nan 8.190 nan 0.000 0.426 5 P HA 0.251 nan 4.420 nan 0.000 0.272 5 P C -0.331 176.536 177.300 -0.722 0.000 1.248 5 P CA 0.271 63.031 63.100 -0.567 0.000 0.799 5 P CB 0.324 31.713 31.700 -0.517 0.000 0.997 6 F N -1.727 117.909 119.950 -0.524 0.000 3.171 6 F HA 0.347 4.873 4.527 -0.001 0.000 0.323 6 F C 0.375 176.065 175.800 -0.183 0.000 1.278 6 F CA 0.347 57.998 58.000 -0.582 0.000 0.860 6 F CB 0.250 39.206 39.000 -0.072 0.000 1.667 6 F HN 0.474 nan 8.300 nan 0.000 0.483 7 G N -0.848 107.978 108.800 0.043 0.000 2.356 7 G HA2 0.569 4.528 3.960 -0.001 0.000 0.294 7 G HA3 0.569 4.528 3.960 -0.001 0.000 0.294 7 G C -0.126 174.875 174.900 0.169 0.000 1.423 7 G CA 0.024 45.279 45.100 0.259 0.000 0.806 7 G HN 0.927 nan 8.290 nan 0.000 0.527 8 A N -1.823 121.125 122.820 0.214 0.000 2.665 8 A HA 0.266 4.585 4.320 -0.001 0.000 0.301 8 A C 0.960 178.621 177.584 0.127 0.000 1.509 8 A CA 1.702 53.843 52.037 0.172 0.000 0.789 8 A CB -1.486 17.626 19.000 0.186 0.000 1.024 8 A HN 2.550 nan 8.150 nan 0.000 0.460 9 A N 0.013 122.942 122.820 0.182 0.000 2.294 9 A HA 0.675 4.994 4.320 -0.001 0.000 0.316 9 A C 1.185 178.838 177.584 0.115 0.000 1.359 9 A CA 0.284 52.396 52.037 0.125 0.000 0.956 9 A CB 0.028 19.148 19.000 0.199 0.000 1.155 9 A HN 1.290 nan 8.150 nan 0.000 0.544 10 R N -0.137 120.406 120.500 0.071 0.000 4.000 10 R HA -0.224 4.116 4.340 -0.001 0.000 0.362 10 R C 0.247 176.580 176.300 0.056 0.000 1.183 10 R CA 2.014 58.145 56.100 0.052 0.000 1.011 10 R CB -1.797 28.529 30.300 0.043 0.000 1.501 10 R HN 1.006 nan 8.270 nan 0.000 0.553 11 E N -1.598 118.651 120.200 0.083 0.000 2.446 11 E HA 0.442 4.792 4.350 -0.001 0.000 0.269 11 E C 0.626 177.277 176.600 0.084 0.000 0.977 11 E CA -0.416 56.035 56.400 0.084 0.000 0.854 11 E CB 1.025 30.802 29.700 0.129 0.000 1.545 11 E HN -0.049 nan 8.360 nan 0.000 0.448 12 V N -2.041 117.915 119.914 0.069 0.000 2.599 12 V HA 0.099 4.218 4.120 -0.001 0.000 0.237 12 V C 1.203 177.316 176.094 0.032 0.000 1.081 12 V CA 1.289 63.613 62.300 0.041 0.000 1.107 12 V CB -0.605 31.210 31.823 -0.013 0.000 0.808 12 V HN 0.829 nan 8.190 nan 0.000 0.486 13 T N -1.723 112.865 114.554 0.056 0.000 2.802 13 T HA 0.502 4.851 4.350 -0.001 0.000 0.305 13 T C 1.299 175.924 174.700 -0.124 0.000 1.053 13 T CA 0.897 62.996 62.100 -0.000 0.000 1.058 13 T CB 0.693 69.621 68.868 0.100 0.000 0.988 13 T HN 1.976 nan 8.240 nan 0.000 0.539 14 G N 0.598 109.148 108.800 -0.416 0.000 2.399 14 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 14 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 14 G C 0.462 175.113 174.900 -0.416 0.000 1.096 14 G CA 0.086 44.639 45.100 -0.911 0.000 0.650 14 G HN 1.482 nan 8.290 nan 0.000 0.512 15 S N 0.957 116.554 115.700 -0.172 0.000 4.684 15 S HA 0.270 4.739 4.470 -0.001 0.000 0.564 15 S C 0.398 175.020 174.600 0.036 0.000 0.942 15 S CA 1.427 59.667 58.200 0.068 0.000 1.089 15 S CB -0.412 62.743 63.200 -0.076 0.000 1.736 15 S HN 2.196 nan 8.310 nan 0.000 0.387 16 A N 4.614 127.594 122.820 0.267 0.000 2.579 16 A HA 0.529 4.849 4.320 -0.001 0.000 0.288 16 A C -1.248 176.633 177.584 0.494 0.000 1.079 16 A CA -0.817 51.335 52.037 0.192 0.000 0.889 16 A CB 0.750 19.859 19.000 0.182 0.000 1.439 16 A HN 0.711 nan 8.150 nan 0.000 0.399 17 H N 1.807 120.779 119.070 -0.163 0.000 2.587 17 H HA 0.526 5.081 4.556 -0.001 0.000 0.325 17 H C -0.640 174.551 175.328 -0.230 0.000 1.012 17 H CA -1.147 54.782 56.048 -0.198 0.000 1.213 17 H CB 1.501 31.062 29.762 -0.336 0.000 1.431 17 H HN 0.526 nan 8.280 nan 0.000 0.492 18 L N 4.070 125.249 121.223 -0.072 0.000 2.281 18 L HA 0.229 4.569 4.340 -0.001 0.000 0.285 18 L C -0.724 176.077 176.870 -0.114 0.000 1.074 18 L CA -0.641 54.078 54.840 -0.203 0.000 0.817 18 L CB 0.259 42.141 42.059 -0.296 0.000 1.168 18 L HN 0.517 nan 8.230 nan 0.000 0.434 19 L N 6.786 127.942 121.223 -0.112 0.000 2.260 19 L HA 0.453 4.792 4.340 -0.001 0.000 0.289 19 L C -1.097 175.739 176.870 -0.057 0.000 1.057 19 L CA 0.089 54.889 54.840 -0.066 0.000 0.811 19 L CB 0.568 42.599 42.059 -0.046 0.000 1.184 19 L HN 0.538 nan 8.230 nan 0.000 0.429 20 L N 6.680 127.879 121.223 -0.040 0.000 2.277 20 L HA 0.873 5.212 4.340 -0.001 0.000 0.284 20 L C -0.063 176.798 176.870 -0.015 0.000 1.028 20 L CA -0.267 54.558 54.840 -0.026 0.000 0.835 20 L CB 0.798 42.848 42.059 -0.016 0.000 1.215 20 L HN 0.874 nan 8.230 nan 0.000 0.425 21 A N 1.541 124.354 122.820 -0.011 0.000 2.566 21 A HA 0.649 4.969 4.320 -0.001 0.000 0.290 21 A C 0.514 178.096 177.584 -0.003 0.000 1.071 21 A CA -0.018 52.016 52.037 -0.005 0.000 0.658 21 A CB 0.827 19.825 19.000 -0.003 0.000 1.285 21 A HN 0.811 nan 8.150 nan 0.000 0.427 22 G N -0.672 108.126 108.800 -0.002 0.000 2.380 22 G HA2 0.162 4.122 3.960 -0.001 0.000 0.298 22 G HA3 0.162 4.122 3.960 -0.001 0.000 0.298 22 G C 1.872 176.772 174.900 0.000 0.000 0.989 22 G CA 1.844 46.944 45.100 -0.001 0.000 0.836 22 G HN 2.914 nan 8.290 nan 0.000 0.511 23 G N -2.146 106.654 108.800 0.001 0.000 2.160 23 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.251 23 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.251 23 G C 0.373 175.277 174.900 0.006 0.000 1.008 23 G CA 1.038 46.140 45.100 0.004 0.000 0.724 23 G HN 0.957 nan 8.290 nan 0.000 0.514 24 R N -0.921 119.580 120.500 0.002 0.000 2.867 24 R HA 0.683 5.023 4.340 -0.001 0.000 0.268 24 R C -0.158 176.137 176.300 -0.009 0.000 1.014 24 R CA -0.943 55.159 56.100 0.003 0.000 0.946 24 R CB 1.238 31.541 30.300 0.005 0.000 1.208 24 R HN 0.280 nan 8.270 nan 0.000 0.477 25 R N 0.698 121.190 120.500 -0.015 0.000 2.422 25 R HA 0.440 4.779 4.340 -0.001 0.000 0.307 25 R C -0.928 175.331 176.300 -0.068 0.000 1.004 25 R CA -0.599 55.472 56.100 -0.050 0.000 0.882 25 R CB 1.936 32.203 30.300 -0.055 0.000 1.164 25 R HN 0.197 nan 8.270 nan 0.000 0.489 26 V N 4.883 124.749 119.914 -0.081 0.000 2.384 26 V HA 0.321 4.441 4.120 -0.001 0.000 0.287 26 V C 0.202 176.209 176.094 -0.145 0.000 1.020 26 V CA -0.791 61.462 62.300 -0.079 0.000 0.850 26 V CB 1.853 33.652 31.823 -0.040 0.000 0.987 26 V HN 0.624 nan 8.190 nan 0.000 0.436 27 L N 5.214 126.320 121.223 -0.194 0.000 2.305 27 L HA 0.407 4.747 4.340 -0.001 0.000 0.281 27 L C -0.895 175.892 176.870 -0.139 0.000 1.085 27 L CA -0.617 54.065 54.840 -0.263 0.000 0.813 27 L CB 1.321 43.158 42.059 -0.370 0.000 1.157 27 L HN 0.487 nan 8.230 nan 0.000 0.436 28 L N 5.067 126.202 121.223 -0.147 0.000 2.321 28 L HA 0.423 4.762 4.340 -0.001 0.000 0.272 28 L C -0.749 176.056 176.870 -0.108 0.000 1.050 28 L CA -0.019 54.772 54.840 -0.082 0.000 0.893 28 L CB 0.177 42.131 42.059 -0.175 0.000 1.272 28 L HN 0.560 nan 8.230 nan 0.000 0.435 29 D N 1.154 121.558 120.400 0.006 0.000 10.707 29 D HA -0.232 4.407 4.640 -0.001 0.000 0.329 29 D C -0.408 175.872 176.300 -0.032 0.000 3.123 29 D CA 0.401 54.416 54.000 0.025 0.000 2.734 29 D CB -0.288 40.578 40.800 0.111 0.000 1.209 29 D HN 0.604 nan 8.370 nan 0.000 0.938 30 C N 3.233 122.531 119.300 -0.004 0.000 3.074 30 C HA 0.576 5.036 4.460 -0.001 0.000 0.224 30 C C 0.994 176.006 174.990 0.035 0.000 1.988 30 C CA 0.543 59.563 59.018 0.003 0.000 1.470 30 C CB -0.811 26.917 27.740 -0.021 0.000 2.762 30 C HN 0.633 nan 8.230 nan 0.000 0.502 31 G N 2.086 110.878 108.800 -0.013 0.000 2.634 31 G HA2 0.486 4.445 3.960 -0.001 0.000 0.255 31 G HA3 0.486 4.445 3.960 -0.001 0.000 0.255 31 G C -0.185 174.665 174.900 -0.083 0.000 1.205 31 G CA -0.267 44.801 45.100 -0.052 0.000 0.884 31 G HN 0.825 nan 8.290 nan 0.000 0.549 32 M N -0.880 118.693 119.600 -0.045 0.000 2.654 32 M HA 0.720 5.199 4.480 -0.001 0.000 0.310 32 M C -1.230 174.995 176.300 -0.126 0.000 1.211 32 M CA -0.727 54.555 55.300 -0.030 0.000 0.947 32 M CB 1.615 34.349 32.600 0.223 0.000 1.647 32 M HN 0.190 nan 8.290 nan 0.000 0.481 33 F N 1.494 121.473 119.950 0.048 0.000 2.420 33 F HA 0.365 4.892 4.527 -0.001 0.000 0.352 33 F C 0.074 175.897 175.800 0.038 0.000 1.108 33 F CA 0.091 58.110 58.000 0.031 0.000 1.162 33 F CB 0.979 39.978 39.000 -0.002 0.000 1.118 33 F HN 0.566 nan 8.300 nan 0.000 0.510 34 Q N 2.223 122.157 119.800 0.222 0.000 2.322 34 Q HA 0.588 4.927 4.340 -0.001 0.000 0.265 34 Q C 0.507 176.586 176.000 0.132 0.000 0.985 34 Q CA -0.284 55.612 55.803 0.155 0.000 0.849 34 Q CB 2.058 30.866 28.738 0.117 0.000 1.274 34 Q HN 0.951 nan 8.270 nan 0.000 0.449 35 G N 2.374 111.238 108.800 0.108 0.000 2.488 35 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.237 35 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.237 35 G C 0.719 175.651 174.900 0.053 0.000 1.209 35 G CA -0.019 45.127 45.100 0.078 0.000 0.929 35 G HN 0.650 nan 8.290 nan 0.000 0.578 36 K N 0.247 120.668 120.400 0.036 0.000 2.163 36 K HA -0.342 3.978 4.320 -0.001 0.000 0.222 36 K C 1.817 178.399 176.600 -0.031 0.000 0.990 36 K CA 2.992 59.281 56.287 0.005 0.000 0.959 36 K CB -1.370 31.132 32.500 0.004 0.000 0.882 36 K HN 0.720 nan 8.250 nan 0.000 0.472 37 E N 0.973 121.144 120.200 -0.049 0.000 2.006 37 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 37 E C 1.788 178.318 176.600 -0.115 0.000 0.993 37 E CA 1.347 57.643 56.400 -0.174 0.000 0.808 37 E CB -0.610 28.869 29.700 -0.368 0.000 0.764 37 E HN 0.484 nan 8.360 nan 0.000 0.449 38 E N 0.456 120.656 120.200 0.001 0.000 4.239 38 E HA -0.395 3.954 4.350 -0.001 0.000 0.203 38 E C 1.658 178.222 176.600 -0.060 0.000 1.320 38 E CA 2.946 59.361 56.400 0.026 0.000 2.188 38 E CB -1.543 28.180 29.700 0.040 0.000 1.910 38 E HN 0.268 nan 8.360 nan 0.000 0.267 39 A N 0.406 123.194 122.820 -0.053 0.000 2.023 39 A HA -0.360 3.959 4.320 -0.001 0.000 0.223 39 A C 2.059 179.572 177.584 -0.119 0.000 1.180 39 A CA 2.596 54.615 52.037 -0.030 0.000 0.659 39 A CB -0.776 18.217 19.000 -0.012 0.000 0.817 39 A HN 0.453 nan 8.150 nan 0.000 0.466 40 R N -0.344 120.034 120.500 -0.203 0.000 2.154 40 R HA -0.215 4.125 4.340 -0.001 0.000 0.248 40 R C 1.587 177.762 176.300 -0.208 0.000 1.155 40 R CA 1.684 57.637 56.100 -0.245 0.000 0.979 40 R CB -0.807 29.164 30.300 -0.548 0.000 0.869 40 R HN 0.780 nan 8.270 nan 0.000 0.452 41 N N -0.290 118.206 118.700 -0.340 0.000 2.513 41 N HA -0.148 4.591 4.740 -0.001 0.000 0.187 41 N C 1.148 176.127 175.510 -0.884 0.000 1.056 41 N CA 0.464 53.006 53.050 -0.847 0.000 0.907 41 N CB -0.044 37.524 38.487 -1.533 0.000 0.954 41 N HN 0.362 nan 8.380 nan 0.000 0.445 42 H N -0.257 118.604 119.070 -0.348 0.000 2.639 42 H HA 0.283 4.838 4.556 -0.001 0.000 0.267 42 H C 0.683 175.904 175.328 -0.178 0.000 0.958 42 H CA -0.006 55.929 56.048 -0.188 0.000 1.221 42 H CB 0.265 29.971 29.762 -0.095 0.000 1.446 42 H HN 0.102 nan 8.280 nan 0.000 0.512 43 A N 3.641 126.403 122.820 -0.096 0.000 2.388 43 A HA 0.314 4.634 4.320 -0.001 0.000 0.257 43 A C -1.800 175.664 177.584 -0.200 0.000 1.095 43 A CA -1.163 50.806 52.037 -0.113 0.000 0.791 43 A CB 0.129 19.063 19.000 -0.109 0.000 1.029 43 A HN 0.020 nan 8.150 nan 0.000 0.489 44 P HA -0.026 nan 4.420 nan 0.000 0.270 44 P C 0.195 177.352 177.300 -0.239 0.000 1.221 44 P CA 0.126 63.090 63.100 -0.227 0.000 0.788 44 P CB 0.276 31.919 31.700 -0.095 0.000 0.904 45 F N 0.264 120.055 119.950 -0.266 0.000 2.146 45 F HA 0.038 4.564 4.527 -0.001 0.000 0.298 45 F C 2.328 178.033 175.800 -0.159 0.000 1.096 45 F CA 2.453 60.198 58.000 -0.424 0.000 1.275 45 F CB -0.906 37.246 39.000 -1.412 0.000 1.008 45 F HN 0.621 nan 8.300 nan 0.000 0.480 46 G N -1.115 107.701 108.800 0.026 0.000 2.380 46 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.197 46 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.197 46 G C 0.122 175.230 174.900 0.346 0.000 1.001 46 G CA -0.111 45.258 45.100 0.448 0.000 0.668 46 G HN 0.340 nan 8.290 nan 0.000 0.483 47 F N 0.686 120.543 119.950 -0.155 0.000 2.579 47 F HA 0.827 5.353 4.527 -0.000 0.000 0.324 47 F C -0.628 175.117 175.800 -0.093 0.000 1.058 47 F CA -1.906 55.998 58.000 -0.159 0.000 0.944 47 F CB 1.302 39.996 39.000 -0.509 0.000 1.245 47 F HN -0.047 nan 8.300 nan 0.000 0.477 48 D N 3.195 123.658 120.400 0.104 0.000 2.313 48 D HA 0.333 4.973 4.640 -0.001 0.000 0.239 48 D C -1.511 174.838 176.300 0.082 0.000 1.142 48 D CA -2.651 51.367 54.000 0.030 0.000 0.847 48 D CB 1.468 42.303 40.800 0.058 0.000 1.082 48 D HN 0.283 nan 8.370 nan 0.000 0.480 49 P HA -0.199 nan 4.420 nan 0.000 0.216 49 P C 0.750 178.079 177.300 0.048 0.000 1.150 49 P CA 1.092 64.173 63.100 -0.030 0.000 0.837 49 P CB 0.281 31.909 31.700 -0.119 0.000 0.786 50 K N -0.355 120.086 120.400 0.068 0.000 2.360 50 K HA -0.111 4.209 4.320 -0.001 0.000 0.201 50 K C 1.559 178.212 176.600 0.089 0.000 1.046 50 K CA 0.809 57.148 56.287 0.087 0.000 0.940 50 K CB -0.123 32.409 32.500 0.054 0.000 0.748 50 K HN 0.156 nan 8.250 nan 0.000 0.465 51 E N 0.560 120.806 120.200 0.077 0.000 2.463 51 E HA 0.041 4.391 4.350 -0.001 0.000 0.193 51 E C -0.264 176.365 176.600 0.049 0.000 1.041 51 E CA 0.089 56.528 56.400 0.064 0.000 0.879 51 E CB 0.442 30.179 29.700 0.062 0.000 0.997 51 E HN -0.038 nan 8.360 nan 0.000 0.478 52 V N 1.991 121.934 119.914 0.049 0.000 2.607 52 V HA 0.065 4.184 4.120 -0.001 0.000 0.289 52 V C 1.055 177.234 176.094 0.141 0.000 1.053 52 V CA -0.142 62.149 62.300 -0.017 0.000 0.996 52 V CB 1.576 33.233 31.823 -0.276 0.000 0.995 52 V HN 0.033 nan 8.190 nan 0.000 0.476 53 D N 2.244 122.703 120.400 0.098 0.000 2.388 53 D HA 0.418 5.057 4.640 -0.001 0.000 0.208 53 D C 0.460 176.889 176.300 0.214 0.000 1.035 53 D CA 0.984 55.071 54.000 0.144 0.000 0.875 53 D CB 1.261 42.108 40.800 0.078 0.000 0.984 53 D HN 0.668 nan 8.370 nan 0.000 0.508 54 A N 0.192 123.126 122.820 0.190 0.000 2.549 54 A HA 0.496 4.816 4.320 -0.001 0.000 0.291 54 A C -1.775 175.878 177.584 0.115 0.000 1.034 54 A CA -0.588 51.605 52.037 0.261 0.000 0.655 54 A CB 1.354 20.547 19.000 0.322 0.000 1.299 54 A HN 0.069 nan 8.150 nan 0.000 0.427 55 V N 0.240 120.250 119.914 0.161 0.000 2.841 55 V HA 0.888 5.008 4.120 -0.001 0.000 0.310 55 V C -1.992 174.207 176.094 0.176 0.000 1.090 55 V CA -0.781 61.555 62.300 0.059 0.000 0.930 55 V CB 1.620 33.398 31.823 -0.076 0.000 1.014 55 V HN 1.018 nan 8.190 nan 0.000 0.425 56 L N 6.001 127.310 121.223 0.144 0.000 2.356 56 L HA 0.671 5.011 4.340 -0.001 0.000 0.277 56 L C -0.758 176.244 176.870 0.220 0.000 0.996 56 L CA -0.422 54.560 54.840 0.235 0.000 0.822 56 L CB 1.645 43.810 42.059 0.177 0.000 1.256 56 L HN 0.563 nan 8.230 nan 0.000 0.413 57 L N 2.464 123.819 121.223 0.220 0.000 2.282 57 L HA 0.434 4.774 4.340 -0.001 0.000 0.288 57 L C 1.476 178.344 176.870 -0.005 0.000 1.033 57 L CA 0.022 54.911 54.840 0.082 0.000 0.807 57 L CB 1.285 43.354 42.059 0.016 0.000 1.209 57 L HN 0.826 nan 8.230 nan 0.000 0.423 58 T N -0.588 113.925 114.554 -0.069 0.000 2.777 58 T HA -0.003 4.346 4.350 -0.001 0.000 0.266 58 T C 0.565 175.175 174.700 -0.151 0.000 1.040 58 T CA 1.252 63.260 62.100 -0.153 0.000 1.141 58 T CB -0.270 68.497 68.868 -0.169 0.000 0.868 58 T HN 0.685 nan 8.240 nan 0.000 0.444 59 H N -2.308 116.620 119.070 -0.236 0.000 2.932 59 H HA 0.661 5.217 4.556 -0.001 0.000 0.307 59 H C 0.991 176.229 175.328 -0.149 0.000 1.391 59 H CA -0.494 55.407 56.048 -0.245 0.000 1.130 59 H CB 1.015 30.612 29.762 -0.276 0.000 1.836 59 H HN 0.039 nan 8.280 nan 0.000 0.522 60 A N -0.085 122.696 122.820 -0.066 0.000 2.070 60 A HA -0.095 4.224 4.320 -0.001 0.000 0.220 60 A C 0.560 178.182 177.584 0.063 0.000 1.159 60 A CA 0.607 52.614 52.037 -0.049 0.000 0.656 60 A CB -1.582 17.374 19.000 -0.072 0.000 0.800 60 A HN 0.680 nan 8.150 nan 0.000 0.453 61 H N -0.778 118.391 119.070 0.165 0.000 3.192 61 H HA 0.002 4.557 4.556 -0.001 0.000 0.295 61 H C 1.205 176.598 175.328 0.108 0.000 0.943 61 H CA -0.345 55.819 56.048 0.194 0.000 1.416 61 H CB 0.501 30.523 29.762 0.434 0.000 1.434 61 H HN 0.252 nan 8.280 nan 0.000 0.565 62 L N 3.563 124.924 121.223 0.230 0.000 2.189 62 L HA -0.229 4.110 4.340 -0.001 0.000 0.214 62 L C 2.010 178.938 176.870 0.097 0.000 1.097 62 L CA 1.789 56.715 54.840 0.144 0.000 0.764 62 L CB -0.424 41.722 42.059 0.146 0.000 0.900 62 L HN 0.794 nan 8.230 nan 0.000 0.436 63 D N -3.056 117.390 120.400 0.076 0.000 2.338 63 D HA -0.161 4.479 4.640 -0.001 0.000 0.239 63 D C 0.995 177.116 176.300 -0.298 0.000 1.095 63 D CA 0.660 54.613 54.000 -0.079 0.000 0.888 63 D CB -0.188 40.557 40.800 -0.092 0.000 0.899 63 D HN 0.520 nan 8.370 nan 0.000 0.525 64 H N -1.046 118.009 119.070 -0.025 0.000 3.771 64 H HA 0.184 4.740 4.556 -0.001 0.000 0.260 64 H C 1.095 176.371 175.328 -0.088 0.000 1.158 64 H CA 0.160 56.145 56.048 -0.105 0.000 1.170 64 H CB 1.594 31.163 29.762 -0.321 0.000 1.539 64 H HN 0.049 nan 8.280 nan 0.000 0.634 65 V N -0.788 119.156 119.914 0.050 0.000 3.497 65 V HA 0.143 4.263 4.120 -0.001 0.000 0.272 65 V C 2.377 178.487 176.094 0.027 0.000 1.474 65 V CA 0.834 63.149 62.300 0.025 0.000 1.025 65 V CB 0.741 32.569 31.823 0.008 0.000 0.820 65 V HN 0.384 nan 8.190 nan 0.000 0.437 66 G N 1.913 110.749 108.800 0.060 0.000 2.808 66 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.225 66 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.225 66 G C 1.457 176.423 174.900 0.110 0.000 1.210 66 G CA 1.655 46.824 45.100 0.115 0.000 0.777 66 G HN 0.496 nan 8.290 nan 0.000 0.640 67 R N -0.081 120.528 120.500 0.181 0.000 2.339 67 R HA 0.156 4.496 4.340 -0.001 0.000 0.199 67 R C 2.311 178.720 176.300 0.182 0.000 1.018 67 R CA 0.073 56.348 56.100 0.291 0.000 1.036 67 R CB -0.291 30.267 30.300 0.431 0.000 0.899 67 R HN 0.343 nan 8.270 nan 0.000 0.473 68 L N 2.587 123.840 121.223 0.051 0.000 1.997 68 L HA -0.153 4.186 4.340 -0.001 0.000 0.216 68 L C -0.918 176.020 176.870 0.113 0.000 1.074 68 L CA 2.137 57.029 54.840 0.087 0.000 0.763 68 L CB -0.920 41.158 42.059 0.032 0.000 0.890 68 L HN 0.081 nan 8.230 nan 0.000 0.434 69 P HA -0.187 nan 4.420 nan 0.000 0.231 69 P C 1.242 178.532 177.300 -0.016 0.000 1.158 69 P CA 1.324 64.266 63.100 -0.264 0.000 0.763 69 P CB -0.053 31.193 31.700 -0.757 0.000 0.805 70 K N -0.429 120.030 120.400 0.098 0.000 2.166 70 K HA -0.020 4.299 4.320 -0.001 0.000 0.201 70 K C 2.052 178.879 176.600 0.378 0.000 1.052 70 K CA 0.178 56.654 56.287 0.316 0.000 0.969 70 K CB -0.423 32.346 32.500 0.448 0.000 0.761 70 K HN -0.096 nan 8.250 nan 0.000 0.459 71 L N 0.852 122.307 121.223 0.387 0.000 2.012 71 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 71 L C 1.756 178.697 176.870 0.119 0.000 1.073 71 L CA 1.790 56.734 54.840 0.173 0.000 0.748 71 L CB -0.502 41.484 42.059 -0.121 0.000 0.891 71 L HN 0.142 nan 8.230 nan 0.000 0.431 72 F N -0.950 119.071 119.950 0.119 0.000 2.407 72 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 72 F C 2.630 178.464 175.800 0.057 0.000 1.097 72 F CA 0.865 58.901 58.000 0.059 0.000 1.422 72 F CB -0.584 38.382 39.000 -0.056 0.000 1.067 72 F HN 0.047 nan 8.300 nan 0.000 0.539 73 R N 1.134 121.793 120.500 0.265 0.000 2.092 73 R HA -0.104 4.236 4.340 -0.001 0.000 0.231 73 R C 0.765 177.157 176.300 0.154 0.000 1.119 73 R CA 1.319 57.538 56.100 0.199 0.000 0.970 73 R CB -0.226 30.209 30.300 0.225 0.000 0.864 73 R HN 0.312 nan 8.270 nan 0.000 0.440 74 E N -0.953 119.342 120.200 0.159 0.000 2.335 74 E HA 0.130 4.479 4.350 -0.001 0.000 0.191 74 E C 0.375 177.024 176.600 0.082 0.000 1.077 74 E CA 0.299 56.769 56.400 0.117 0.000 1.010 74 E CB 0.649 30.432 29.700 0.138 0.000 1.141 74 E HN 0.627 nan 8.360 nan 0.000 0.452 75 G N 1.276 110.116 108.800 0.068 0.000 2.232 75 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.226 75 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.226 75 G C -0.022 174.875 174.900 -0.004 0.000 0.996 75 G CA -0.173 44.948 45.100 0.035 0.000 0.626 75 G HN 0.485 nan 8.290 nan 0.000 0.509 76 Y N 2.388 122.562 120.300 -0.210 0.000 2.526 76 Y HA 0.525 5.074 4.550 -0.001 0.000 0.330 76 Y C 0.970 176.579 175.900 -0.485 0.000 1.156 76 Y CA -0.044 57.825 58.100 -0.385 0.000 1.419 76 Y CB 0.490 38.583 38.460 -0.611 0.000 1.250 76 Y HN 0.056 nan 8.280 nan 0.000 0.540 77 R N 5.092 125.058 120.500 -0.889 0.000 2.661 77 R HA 0.258 4.597 4.340 -0.001 0.000 0.429 77 R C -0.081 175.870 176.300 -0.582 0.000 1.044 77 R CA -0.022 55.729 56.100 -0.581 0.000 1.065 77 R CB 0.636 30.854 30.300 -0.137 0.000 1.377 77 R HN 0.856 nan 8.270 nan 0.000 0.600 78 G N 1.434 109.293 108.800 -1.568 0.000 2.521 78 G HA2 0.550 4.509 3.960 -0.001 0.000 0.323 78 G HA3 0.550 4.509 3.960 -0.001 0.000 0.323 78 G C -2.570 172.267 174.900 -0.105 0.000 1.211 78 G CA -1.217 43.443 45.100 -0.734 0.000 0.979 78 G HN -0.125 nan 8.290 nan 0.000 0.490 79 P HA 0.353 nan 4.420 nan 0.000 0.277 79 P C -0.871 176.438 177.300 0.015 0.000 1.240 79 P CA -0.350 62.733 63.100 -0.028 0.000 0.798 79 P CB 1.887 33.431 31.700 -0.259 0.000 0.979 80 V N 3.106 122.957 119.914 -0.105 0.000 2.409 80 V HA 0.268 4.387 4.120 -0.001 0.000 0.290 80 V C -0.594 175.388 176.094 -0.187 0.000 1.017 80 V CA -0.523 61.776 62.300 -0.002 0.000 0.841 80 V CB 0.556 32.493 31.823 0.190 0.000 1.003 80 V HN 0.390 nan 8.190 nan 0.000 0.426 81 Y N 3.013 123.385 120.300 0.119 0.000 2.323 81 Y HA 0.820 5.370 4.550 -0.000 0.000 0.331 81 Y C 0.509 176.540 175.900 0.219 0.000 1.092 81 Y CA -0.218 57.951 58.100 0.115 0.000 1.150 81 Y CB 1.843 40.323 38.460 0.034 0.000 1.200 81 Y HN 0.812 nan 8.280 nan 0.000 0.472 82 A N 0.594 123.609 122.820 0.325 0.000 2.566 82 A HA 0.614 4.933 4.320 -0.001 0.000 0.290 82 A C -0.420 177.166 177.584 0.002 0.000 1.071 82 A CA -0.806 51.322 52.037 0.151 0.000 0.658 82 A CB 0.240 19.231 19.000 -0.016 0.000 1.285 82 A HN 0.677 nan 8.150 nan 0.000 0.427 83 T N -0.891 113.501 114.554 -0.270 0.000 2.802 83 T HA 0.328 4.677 4.350 -0.001 0.000 0.305 83 T C 1.130 175.694 174.700 -0.227 0.000 1.053 83 T CA 0.231 62.155 62.100 -0.294 0.000 1.058 83 T CB 0.484 69.028 68.868 -0.541 0.000 0.988 83 T HN 0.651 nan 8.240 nan 0.000 0.539 84 R N 1.220 121.650 120.500 -0.116 0.000 2.096 84 R HA -0.038 4.302 4.340 -0.001 0.000 0.240 84 R C 2.799 178.960 176.300 -0.231 0.000 1.139 84 R CA 1.904 57.954 56.100 -0.084 0.000 0.952 84 R CB -1.350 28.985 30.300 0.058 0.000 0.854 84 R HN 0.879 nan 8.270 nan 0.000 0.436 85 A N -0.452 122.033 122.820 -0.559 0.000 1.859 85 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 85 A C 2.219 179.541 177.584 -0.438 0.000 1.198 85 A CA 2.418 54.031 52.037 -0.708 0.000 0.629 85 A CB -1.287 16.818 19.000 -1.491 0.000 0.830 85 A HN 0.406 nan 8.150 nan 0.000 0.446 86 T N -0.266 114.026 114.554 -0.436 0.000 2.720 86 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 86 T C 1.876 176.467 174.700 -0.182 0.000 1.037 86 T CA 1.663 63.595 62.100 -0.280 0.000 1.144 86 T CB -0.532 68.170 68.868 -0.277 0.000 0.864 86 T HN 0.183 nan 8.240 nan 0.000 0.444 87 V N 1.412 121.226 119.914 -0.167 0.000 2.295 87 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 87 V C 2.477 178.516 176.094 -0.091 0.000 1.049 87 V CA 1.562 63.798 62.300 -0.107 0.000 1.024 87 V CB -0.704 31.067 31.823 -0.086 0.000 0.648 87 V HN 0.438 nan 8.190 nan 0.000 0.447 88 L N -0.919 120.243 121.223 -0.102 0.000 2.056 88 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 88 L C 2.434 179.272 176.870 -0.054 0.000 1.078 88 L CA 1.365 56.164 54.840 -0.068 0.000 0.749 88 L CB -0.544 41.476 42.059 -0.065 0.000 0.901 88 L HN 0.277 nan 8.230 nan 0.000 0.433 89 L N -0.934 120.240 121.223 -0.081 0.000 2.042 89 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 89 L C 2.721 179.576 176.870 -0.025 0.000 1.076 89 L CA 1.413 56.225 54.840 -0.047 0.000 0.749 89 L CB -0.369 41.639 42.059 -0.086 0.000 0.893 89 L HN 0.308 nan 8.230 nan 0.000 0.432 90 M N -0.678 118.895 119.600 -0.045 0.000 2.065 90 M HA -0.294 4.185 4.480 -0.001 0.000 0.259 90 M C 2.235 178.528 176.300 -0.012 0.000 1.069 90 M CA 1.883 57.167 55.300 -0.027 0.000 1.110 90 M CB -0.601 31.970 32.600 -0.048 0.000 1.328 90 M HN 0.238 nan 8.290 nan 0.000 0.405 91 E N 0.882 121.069 120.200 -0.023 0.000 2.172 91 E HA -0.278 4.072 4.350 -0.001 0.000 0.213 91 E C 1.656 178.262 176.600 0.010 0.000 1.051 91 E CA 2.110 58.502 56.400 -0.012 0.000 0.860 91 E CB -0.200 29.492 29.700 -0.014 0.000 0.755 91 E HN 0.531 nan 8.360 nan 0.000 0.462 92 I N -0.146 120.435 120.570 0.019 0.000 2.141 92 I HA -0.238 3.931 4.170 -0.001 0.000 0.236 92 I C 2.500 178.648 176.117 0.052 0.000 1.071 92 I CA 0.748 62.070 61.300 0.038 0.000 1.345 92 I CB -0.485 37.542 38.000 0.044 0.000 1.066 92 I HN 0.035 nan 8.210 nan 0.000 0.406 93 V N 1.056 121.004 119.914 0.057 0.000 2.277 93 V HA -0.322 3.797 4.120 -0.001 0.000 0.253 93 V C 2.461 178.605 176.094 0.085 0.000 1.067 93 V CA 1.933 64.281 62.300 0.080 0.000 1.047 93 V CB -0.635 31.237 31.823 0.081 0.000 0.649 93 V HN 0.298 nan 8.190 nan 0.000 0.447 94 L N -0.510 120.751 121.223 0.063 0.000 2.023 94 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 94 L C 2.566 179.497 176.870 0.101 0.000 1.073 94 L CA 1.701 56.588 54.840 0.078 0.000 0.745 94 L CB -1.077 40.994 42.059 0.019 0.000 0.900 94 L HN 0.287 nan 8.230 nan 0.000 0.435 95 E N -0.220 120.019 120.200 0.065 0.000 2.147 95 E HA -0.290 4.059 4.350 -0.001 0.000 0.199 95 E C 1.804 178.440 176.600 0.060 0.000 1.005 95 E CA 1.547 57.982 56.400 0.058 0.000 0.810 95 E CB -0.425 29.299 29.700 0.039 0.000 0.736 95 E HN 0.588 nan 8.360 nan 0.000 0.460 96 D N 0.583 121.023 120.400 0.067 0.000 2.077 96 D HA -0.105 4.535 4.640 -0.001 0.000 0.196 96 D C 1.847 178.188 176.300 0.070 0.000 0.986 96 D CA 1.530 55.570 54.000 0.067 0.000 0.829 96 D CB -0.029 40.818 40.800 0.079 0.000 0.983 96 D HN 0.050 nan 8.370 nan 0.000 0.453 97 A N 1.152 124.030 122.820 0.097 0.000 2.139 97 A HA -0.118 4.201 4.320 -0.001 0.000 0.221 97 A C 2.474 180.079 177.584 0.035 0.000 1.159 97 A CA 0.794 52.893 52.037 0.104 0.000 0.662 97 A CB -0.726 18.378 19.000 0.175 0.000 0.796 97 A HN 0.448 nan 8.150 nan 0.000 0.463 98 L N -0.886 120.356 121.223 0.032 0.000 1.982 98 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 98 L C 2.569 179.384 176.870 -0.091 0.000 1.078 98 L CA 1.838 56.631 54.840 -0.078 0.000 0.749 98 L CB -0.430 41.632 42.059 0.005 0.000 0.894 98 L HN 0.348 nan 8.230 nan 0.000 0.436 99 K N -0.471 119.911 120.400 -0.031 0.000 1.987 99 K HA -0.162 4.157 4.320 -0.001 0.000 0.216 99 K C 1.262 177.851 176.600 -0.018 0.000 1.051 99 K CA 1.502 57.775 56.287 -0.023 0.000 0.942 99 K CB -0.385 32.116 32.500 0.003 0.000 0.722 99 K HN 0.188 nan 8.250 nan 0.000 0.444 100 V N 2.136 122.054 119.914 0.006 0.000 3.070 100 V HA -0.012 4.107 4.120 -0.001 0.000 0.359 100 V C 0.068 176.169 176.094 0.011 0.000 1.438 100 V CA 0.429 62.741 62.300 0.020 0.000 1.571 100 V CB -1.222 30.629 31.823 0.047 0.000 1.246 100 V HN 0.263 nan 8.190 nan 0.000 0.463 101 M N 1.825 121.409 119.600 -0.027 0.000 2.093 101 M HA 0.345 4.825 4.480 -0.001 0.000 0.297 101 M C 0.949 177.226 176.300 -0.037 0.000 0.938 101 M CA -0.558 54.714 55.300 -0.047 0.000 0.920 101 M CB 1.140 33.646 32.600 -0.156 0.000 1.517 101 M HN 0.411 nan 8.290 nan 0.000 0.427 102 D N 3.585 123.989 120.400 0.007 0.000 2.120 102 D HA -0.169 4.471 4.640 -0.001 0.000 0.216 102 D C -0.399 175.918 176.300 0.029 0.000 0.999 102 D CA 1.390 55.403 54.000 0.022 0.000 0.903 102 D CB -0.229 40.597 40.800 0.044 0.000 1.104 102 D HN 0.647 nan 8.370 nan 0.000 0.466 103 E N 2.302 122.547 120.200 0.075 0.000 1.986 103 E HA 0.240 4.590 4.350 -0.001 0.000 0.264 103 E C -2.039 174.655 176.600 0.156 0.000 1.023 103 E CA -1.631 54.852 56.400 0.138 0.000 0.834 103 E CB 1.296 31.129 29.700 0.223 0.000 1.111 103 E HN 0.305 nan 8.360 nan 0.000 0.417 104 P HA 0.071 nan 4.420 nan 0.000 0.276 104 P C -0.401 176.930 177.300 0.053 0.000 1.244 104 P CA -0.230 62.762 63.100 -0.180 0.000 0.801 104 P CB 0.504 31.999 31.700 -0.342 0.000 1.006 105 F N -0.946 118.937 119.950 -0.113 0.000 2.798 105 F HA 0.466 4.992 4.527 -0.001 0.000 0.328 105 F C -0.186 175.731 175.800 0.195 0.000 1.098 105 F CA -0.956 57.095 58.000 0.084 0.000 1.172 105 F CB -0.015 38.985 39.000 0.000 0.000 1.072 105 F HN 0.047 nan 8.300 nan 0.000 0.555 106 F N -0.095 119.700 119.950 -0.259 0.000 2.604 106 F HA 0.903 5.429 4.527 -0.001 0.000 0.316 106 F C -0.175 175.547 175.800 -0.130 0.000 1.136 106 F CA -2.034 55.877 58.000 -0.148 0.000 0.989 106 F CB 0.732 39.621 39.000 -0.184 0.000 1.258 106 F HN 0.077 nan 8.300 nan 0.000 0.451 107 G N 1.762 110.602 108.800 0.066 0.000 2.535 107 G HA2 0.556 4.516 3.960 -0.001 0.000 0.303 107 G HA3 0.556 4.516 3.960 -0.001 0.000 0.303 107 G C -2.031 172.925 174.900 0.092 0.000 1.237 107 G CA -1.894 43.207 45.100 0.001 0.000 0.986 107 G HN 0.499 nan 8.290 nan 0.000 0.494 108 P HA -0.154 nan 4.420 nan 0.000 0.218 108 P C 1.361 178.695 177.300 0.055 0.000 1.149 108 P CA 1.573 64.708 63.100 0.059 0.000 0.817 108 P CB 0.082 31.796 31.700 0.024 0.000 0.785 109 E N 0.411 120.641 120.200 0.050 0.000 2.130 109 E HA -0.224 4.126 4.350 -0.001 0.000 0.196 109 E C 1.307 177.935 176.600 0.046 0.000 0.998 109 E CA 1.411 57.838 56.400 0.044 0.000 0.806 109 E CB -0.841 28.887 29.700 0.047 0.000 0.738 109 E HN 0.243 nan 8.360 nan 0.000 0.459 110 D N 0.957 121.403 120.400 0.076 0.000 2.197 110 D HA -0.046 4.593 4.640 -0.001 0.000 0.212 110 D C 2.354 178.638 176.300 -0.027 0.000 0.963 110 D CA 1.077 55.114 54.000 0.061 0.000 0.864 110 D CB -0.190 40.692 40.800 0.136 0.000 1.009 110 D HN 0.115 nan 8.370 nan 0.000 0.479 111 V N 2.440 122.375 119.914 0.036 0.000 2.363 111 V HA -0.314 3.806 4.120 -0.001 0.000 0.254 111 V C 2.464 178.493 176.094 -0.107 0.000 1.074 111 V CA 2.492 64.775 62.300 -0.027 0.000 1.069 111 V CB -0.894 30.995 31.823 0.110 0.000 0.659 111 V HN 0.400 nan 8.190 nan 0.000 0.455 112 E N 0.382 120.538 120.200 -0.074 0.000 2.140 112 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 112 E C 2.037 178.551 176.600 -0.144 0.000 0.973 112 E CA 0.833 57.179 56.400 -0.089 0.000 0.829 112 E CB -0.425 29.253 29.700 -0.037 0.000 0.781 112 E HN 0.533 nan 8.360 nan 0.000 0.466 113 E N 1.644 121.756 120.200 -0.147 0.000 2.171 113 E HA -0.236 4.114 4.350 -0.001 0.000 0.197 113 E C 1.817 178.089 176.600 -0.547 0.000 0.997 113 E CA 1.748 58.042 56.400 -0.176 0.000 0.810 113 E CB -0.288 29.357 29.700 -0.091 0.000 0.738 113 E HN 0.422 nan 8.360 nan 0.000 0.467 114 A N 0.277 122.604 122.820 -0.822 0.000 1.832 114 A HA -0.086 4.234 4.320 -0.001 0.000 0.214 114 A C 2.269 179.533 177.584 -0.534 0.000 1.204 114 A CA 1.352 52.612 52.037 -1.295 0.000 0.606 114 A CB -0.888 17.582 19.000 -0.883 0.000 0.849 114 A HN 0.310 nan 8.150 nan 0.000 0.445 115 L N -0.279 120.764 121.223 -0.300 0.000 2.051 115 L HA -0.215 4.125 4.340 -0.001 0.000 0.214 115 L C 2.542 179.355 176.870 -0.095 0.000 1.076 115 L CA 1.239 55.988 54.840 -0.153 0.000 0.758 115 L CB -0.823 41.173 42.059 -0.105 0.000 0.890 115 L HN 0.519 nan 8.230 nan 0.000 0.433 116 G N -2.434 106.328 108.800 -0.064 0.000 2.776 116 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.209 116 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.209 116 G C 0.708 175.617 174.900 0.014 0.000 1.145 116 G CA 0.183 45.279 45.100 -0.006 0.000 0.791 116 G HN 0.442 nan 8.290 nan 0.000 0.530 117 H N -1.099 117.884 119.070 -0.146 0.000 2.923 117 H HA 0.356 4.912 4.556 -0.001 0.000 0.268 117 H C 0.495 175.767 175.328 -0.093 0.000 1.148 117 H CA -0.603 55.400 56.048 -0.075 0.000 1.146 117 H CB 0.400 30.202 29.762 0.067 0.000 1.607 117 H HN 0.117 nan 8.280 nan 0.000 0.566 118 L N 1.942 123.149 121.223 -0.028 0.000 2.360 118 L HA 0.289 4.628 4.340 -0.001 0.000 0.276 118 L C 0.091 176.902 176.870 -0.098 0.000 1.121 118 L CA -0.053 54.750 54.840 -0.062 0.000 0.845 118 L CB 0.493 42.516 42.059 -0.060 0.000 1.143 118 L HN 0.042 nan 8.230 nan 0.000 0.452 119 R N 4.642 125.052 120.500 -0.149 0.000 2.480 119 R HA 0.426 4.766 4.340 -0.001 0.000 0.306 119 R C -2.544 173.765 176.300 0.016 0.000 0.958 119 R CA -1.963 54.063 56.100 -0.124 0.000 0.861 119 R CB 2.026 32.144 30.300 -0.303 0.000 1.171 119 R HN 0.314 nan 8.270 nan 0.000 0.445 120 P HA 0.128 nan 4.420 nan 0.000 0.271 120 P C -0.759 176.628 177.300 0.146 0.000 1.216 120 P CA -0.400 62.745 63.100 0.074 0.000 0.776 120 P CB 1.017 32.735 31.700 0.030 0.000 0.881 121 L N 2.603 123.914 121.223 0.147 0.000 2.611 121 L HA 0.338 4.678 4.340 -0.001 0.000 0.263 121 L C -0.257 176.676 176.870 0.106 0.000 0.969 121 L CA -0.289 54.633 54.840 0.137 0.000 0.894 121 L CB 1.360 43.527 42.059 0.180 0.000 1.229 121 L HN 0.215 nan 8.230 nan 0.000 0.416 122 E N 2.273 122.461 120.200 -0.019 0.000 2.602 122 E HA 0.292 4.642 4.350 -0.001 0.000 0.255 122 E C -0.999 175.509 176.600 -0.154 0.000 1.268 122 E CA -0.430 55.873 56.400 -0.161 0.000 1.007 122 E CB 0.328 29.958 29.700 -0.117 0.000 1.208 122 E HN 0.384 nan 8.360 nan 0.000 0.584 123 Y N -0.340 119.962 120.300 0.004 0.000 2.402 123 Y HA 0.337 4.887 4.550 -0.001 0.000 0.333 123 Y C 1.502 177.337 175.900 -0.109 0.000 1.076 123 Y CA 0.702 58.764 58.100 -0.062 0.000 1.299 123 Y CB 0.425 38.829 38.460 -0.093 0.000 1.197 123 Y HN 0.690 nan 8.280 nan 0.000 0.517 124 G N 2.088 110.849 108.800 -0.065 0.000 2.132 124 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.234 124 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.234 124 G C -0.197 174.604 174.900 -0.166 0.000 0.989 124 G CA -0.338 44.688 45.100 -0.123 0.000 0.676 124 G HN 0.588 nan 8.290 nan 0.000 0.522 125 E N -0.565 119.476 120.200 -0.265 0.000 2.129 125 E HA 0.464 4.814 4.350 -0.001 0.000 0.268 125 E C -0.527 175.866 176.600 -0.345 0.000 0.900 125 E CA -0.953 55.340 56.400 -0.178 0.000 0.755 125 E CB 0.799 30.436 29.700 -0.106 0.000 1.117 125 E HN 0.318 nan 8.360 nan 0.000 0.410 126 W N 4.010 125.252 121.300 -0.098 0.000 2.322 126 W HA 0.303 4.962 4.660 -0.001 0.000 0.307 126 W C -0.323 176.094 176.519 -0.170 0.000 1.220 126 W CA -0.489 56.779 57.345 -0.129 0.000 1.210 126 W CB 0.511 29.919 29.460 -0.088 0.000 1.223 126 W HN 0.310 nan 8.180 nan 0.000 0.511 127 L N 4.918 126.112 121.223 -0.049 0.000 2.325 127 L HA 0.555 4.894 4.340 -0.001 0.000 0.279 127 L C -0.245 176.596 176.870 -0.048 0.000 1.054 127 L CA -0.665 54.072 54.840 -0.171 0.000 0.804 127 L CB 0.651 42.454 42.059 -0.427 0.000 1.200 127 L HN 0.306 nan 8.230 nan 0.000 0.436 128 R N 6.296 126.761 120.500 -0.058 0.000 2.476 128 R HA 0.563 4.903 4.340 -0.001 0.000 0.305 128 R C -1.710 174.574 176.300 -0.027 0.000 0.965 128 R CA -0.605 55.482 56.100 -0.021 0.000 0.867 128 R CB 1.470 31.766 30.300 -0.007 0.000 1.176 128 R HN 0.589 nan 8.270 nan 0.000 0.447 129 L N 2.344 123.556 121.223 -0.019 0.000 2.415 129 L HA 0.426 4.765 4.340 -0.001 0.000 0.268 129 L C 0.949 177.818 176.870 -0.002 0.000 0.984 129 L CA -0.597 54.240 54.840 -0.005 0.000 0.853 129 L CB 1.688 43.745 42.059 -0.003 0.000 1.215 129 L HN 0.930 nan 8.230 nan 0.000 0.419 130 G N 2.885 111.685 108.800 0.000 0.000 2.583 130 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.292 130 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.292 130 G C 0.662 175.558 174.900 -0.007 0.000 1.203 130 G CA 0.505 45.604 45.100 -0.001 0.000 0.987 130 G HN 0.875 nan 8.290 nan 0.000 0.554 131 A N -0.735 122.081 122.820 -0.007 0.000 2.307 131 A HA 0.631 4.950 4.320 -0.001 0.000 0.218 131 A C 0.888 178.466 177.584 -0.009 0.000 1.228 131 A CA 1.245 53.274 52.037 -0.012 0.000 0.857 131 A CB -0.057 18.936 19.000 -0.012 0.000 0.897 131 A HN 1.528 nan 8.150 nan 0.000 0.495 132 L N 0.295 121.516 121.223 -0.003 0.000 2.350 132 L HA 0.563 4.903 4.340 -0.001 0.000 0.275 132 L C -0.226 176.655 176.870 0.019 0.000 1.099 132 L CA 0.252 55.096 54.840 0.006 0.000 0.808 132 L CB 1.490 43.550 42.059 0.002 0.000 1.149 132 L HN 0.029 nan 8.230 nan 0.000 0.442 133 S N 5.092 120.824 115.700 0.055 0.000 2.513 133 S HA 0.836 5.305 4.470 -0.001 0.000 0.299 133 S C -0.980 173.736 174.600 0.193 0.000 1.087 133 S CA -0.528 57.757 58.200 0.142 0.000 1.012 133 S CB 1.334 64.615 63.200 0.134 0.000 1.044 133 S HN 0.535 nan 8.310 nan 0.000 0.485 134 L N 1.905 123.232 121.223 0.172 0.000 2.455 134 L HA 0.893 5.233 4.340 -0.001 0.000 0.264 134 L C -0.532 176.112 176.870 -0.377 0.000 0.968 134 L CA -0.590 54.209 54.840 -0.069 0.000 0.827 134 L CB 2.012 43.958 42.059 -0.188 0.000 1.317 134 L HN 0.769 nan 8.230 nan 0.000 0.407 135 A N 1.584 124.039 122.820 -0.607 0.000 2.594 135 A HA 0.882 5.201 4.320 -0.001 0.000 0.291 135 A C -1.805 175.437 177.584 -0.570 0.000 1.105 135 A CA -0.403 51.089 52.037 -0.908 0.000 0.694 135 A CB 1.452 19.422 19.000 -1.717 0.000 1.291 135 A HN 0.373 nan 8.150 nan 0.000 0.410 136 F N 0.498 120.207 119.950 -0.401 0.000 2.422 136 F HA 0.645 5.172 4.527 -0.001 0.000 0.333 136 F C 0.996 176.579 175.800 -0.362 0.000 1.095 136 F CA -0.499 57.320 58.000 -0.302 0.000 1.038 136 F CB 2.143 41.014 39.000 -0.214 0.000 1.156 136 F HN 0.723 nan 8.300 nan 0.000 0.483 137 G N 1.286 109.732 108.800 -0.591 0.000 2.448 137 G HA2 0.443 4.402 3.960 -0.001 0.000 0.324 137 G HA3 0.443 4.402 3.960 -0.001 0.000 0.324 137 G C -1.365 172.945 174.900 -0.984 0.000 1.203 137 G CA -0.711 43.680 45.100 -1.181 0.000 0.954 137 G HN 0.437 nan 8.290 nan 0.000 0.480 138 Q N 0.576 120.010 119.800 -0.609 0.000 2.244 138 Q HA 0.441 4.780 4.340 -0.001 0.000 0.278 138 Q C 0.851 176.818 176.000 -0.055 0.000 1.093 138 Q CA 0.652 56.153 55.803 -0.504 0.000 0.916 138 Q CB 1.086 29.523 28.738 -0.500 0.000 1.159 138 Q HN 0.573 nan 8.270 nan 0.000 0.384 139 A N 3.741 126.526 122.820 -0.058 0.000 2.169 139 A HA 0.357 4.676 4.320 -0.001 0.000 0.210 139 A C 1.291 178.817 177.584 -0.096 0.000 1.168 139 A CA 0.407 52.452 52.037 0.013 0.000 0.813 139 A CB -0.505 18.471 19.000 -0.040 0.000 0.861 139 A HN 1.258 nan 8.150 nan 0.000 0.481 140 G N -0.382 108.347 108.800 -0.119 0.000 2.421 140 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.300 140 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.300 140 G C 0.428 175.257 174.900 -0.118 0.000 0.974 140 G CA 1.307 46.334 45.100 -0.122 0.000 1.062 140 G HN 0.927 nan 8.290 nan 0.000 0.514 141 H N -0.991 117.912 119.070 -0.279 0.000 2.788 141 H HA 0.637 5.192 4.556 -0.001 0.000 0.262 141 H C 0.907 176.025 175.328 -0.349 0.000 0.968 141 H CA 0.810 56.643 56.048 -0.358 0.000 1.218 141 H CB 0.448 29.901 29.762 -0.516 0.000 1.443 141 H HN 0.392 nan 8.280 nan 0.000 0.478 142 L N -0.012 120.976 121.223 -0.392 0.000 2.775 142 L HA 0.360 4.699 4.340 -0.001 0.000 0.263 142 L C -2.653 174.039 176.870 -0.295 0.000 1.017 142 L CA -2.325 52.274 54.840 -0.401 0.000 0.891 142 L CB 2.592 44.322 42.059 -0.548 0.000 1.482 142 L HN -0.049 nan 8.230 nan 0.000 0.410 143 P HA 0.143 nan 4.420 nan 0.000 0.266 143 P C 0.488 177.473 177.300 -0.526 0.000 1.215 143 P CA 0.838 63.675 63.100 -0.438 0.000 0.763 143 P CB 0.502 31.860 31.700 -0.570 0.000 0.806 144 G N 2.218 110.726 108.800 -0.486 0.000 2.143 144 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.248 144 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.248 144 G C 0.284 174.985 174.900 -0.332 0.000 0.991 144 G CA 0.197 44.965 45.100 -0.555 0.000 0.689 144 G HN 0.738 nan 8.290 nan 0.000 0.522 145 S N -0.566 115.020 115.700 -0.190 0.000 2.584 145 S HA 0.914 5.384 4.470 -0.001 0.000 0.273 145 S C 0.218 174.755 174.600 -0.105 0.000 1.311 145 S CA 0.742 58.833 58.200 -0.182 0.000 1.034 145 S CB 2.367 65.438 63.200 -0.215 0.000 0.939 145 S HN 2.078 nan 8.310 nan 0.000 0.513 146 A N 1.717 124.422 122.820 -0.192 0.000 2.610 146 A HA 0.745 5.064 4.320 -0.001 0.000 0.291 146 A C -0.855 176.674 177.584 -0.091 0.000 1.086 146 A CA -1.119 50.815 52.037 -0.172 0.000 0.677 146 A CB 0.652 19.468 19.000 -0.305 0.000 1.278 146 A HN 1.240 nan 8.150 nan 0.000 0.414 147 F N -0.478 119.484 119.950 0.021 0.000 2.509 147 F HA 0.871 5.397 4.527 -0.001 0.000 0.334 147 F C -0.256 175.658 175.800 0.190 0.000 1.060 147 F CA -1.282 56.720 58.000 0.003 0.000 0.997 147 F CB 0.881 39.925 39.000 0.074 0.000 1.271 147 F HN 0.322 nan 8.300 nan 0.000 0.488 148 V N 1.310 121.483 119.914 0.431 0.000 2.732 148 V HA 0.573 4.692 4.120 -0.001 0.000 0.310 148 V C -0.568 175.727 176.094 0.334 0.000 1.053 148 V CA -0.879 61.613 62.300 0.320 0.000 0.957 148 V CB 1.742 33.746 31.823 0.302 0.000 1.018 148 V HN 0.703 nan 8.190 nan 0.000 0.452 149 V N 3.082 123.091 119.914 0.158 0.000 2.385 149 V HA 0.611 4.730 4.120 -0.001 0.000 0.277 149 V C 0.186 176.357 176.094 0.127 0.000 1.012 149 V CA -0.528 61.876 62.300 0.173 0.000 0.832 149 V CB 1.307 33.230 31.823 0.166 0.000 1.028 149 V HN 0.971 nan 8.190 nan 0.000 0.436 150 A N 3.975 126.875 122.820 0.132 0.000 2.289 150 A HA 0.744 5.064 4.320 -0.001 0.000 0.298 150 A C -0.221 177.436 177.584 0.121 0.000 1.208 150 A CA -0.366 51.736 52.037 0.108 0.000 0.845 150 A CB 1.072 20.116 19.000 0.073 0.000 1.125 150 A HN 0.609 nan 8.150 nan 0.000 0.517 151 Q N 2.091 121.973 119.800 0.135 0.000 2.339 151 Q HA 0.583 4.923 4.340 -0.001 0.000 0.268 151 Q C -0.710 175.317 176.000 0.045 0.000 1.027 151 Q CA -0.181 55.677 55.803 0.092 0.000 0.759 151 Q CB 1.575 30.375 28.738 0.103 0.000 1.244 151 Q HN 1.073 nan 8.270 nan 0.000 0.464 152 G N 1.994 110.809 108.800 0.025 0.000 2.720 152 G HA2 0.404 4.364 3.960 -0.001 0.000 0.295 152 G HA3 0.404 4.364 3.960 -0.001 0.000 0.295 152 G C -1.113 173.787 174.900 0.002 0.000 1.437 152 G CA -0.665 44.440 45.100 0.008 0.000 0.886 152 G HN 0.633 nan 8.290 nan 0.000 0.509 153 E N -0.560 119.637 120.200 -0.006 0.000 2.210 153 E HA -0.222 4.127 4.350 -0.001 0.000 0.201 153 E C 1.451 178.047 176.600 -0.007 0.000 1.339 153 E CA 1.079 57.475 56.400 -0.007 0.000 0.699 153 E CB -1.129 28.569 29.700 -0.004 0.000 1.126 153 E HN 2.200 nan 8.360 nan 0.000 0.355 154 G N 0.375 109.168 108.800 -0.012 0.000 2.225 154 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.272 154 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.272 154 G C 0.219 175.115 174.900 -0.006 0.000 0.996 154 G CA 1.300 46.393 45.100 -0.012 0.000 0.710 154 G HN 0.391 nan 8.290 nan 0.000 0.522 155 R N -1.197 119.303 120.500 0.001 0.000 2.795 155 R HA 0.633 4.973 4.340 -0.001 0.000 0.275 155 R C -1.120 175.193 176.300 0.021 0.000 0.981 155 R CA -0.688 55.417 56.100 0.008 0.000 0.917 155 R CB 1.676 31.980 30.300 0.006 0.000 1.202 155 R HN 0.089 nan 8.270 nan 0.000 0.469 156 T N 2.524 117.094 114.554 0.027 0.000 2.786 156 T HA 0.320 4.670 4.350 -0.001 0.000 0.283 156 T C -0.760 173.971 174.700 0.051 0.000 0.992 156 T CA -0.603 61.526 62.100 0.048 0.000 0.954 156 T CB 1.023 69.923 68.868 0.053 0.000 0.934 156 T HN 0.263 nan 8.240 nan 0.000 0.440 157 L N 4.317 125.582 121.223 0.070 0.000 2.375 157 L HA 0.853 5.193 4.340 -0.001 0.000 0.268 157 L C -1.034 175.909 176.870 0.122 0.000 1.058 157 L CA -0.376 54.513 54.840 0.082 0.000 0.803 157 L CB 1.305 43.411 42.059 0.078 0.000 1.212 157 L HN 0.428 nan 8.230 nan 0.000 0.451 158 V N 4.782 124.784 119.914 0.146 0.000 2.568 158 V HA 0.221 4.341 4.120 -0.001 0.000 0.276 158 V C -0.786 175.494 176.094 0.310 0.000 1.002 158 V CA -0.507 61.916 62.300 0.205 0.000 0.879 158 V CB 0.742 32.614 31.823 0.081 0.000 1.040 158 V HN 0.790 nan 8.190 nan 0.000 0.457 159 Y N 3.492 123.922 120.300 0.217 0.000 2.298 159 Y HA 0.422 4.972 4.550 -0.001 0.000 0.329 159 Y C 1.382 177.469 175.900 0.310 0.000 1.293 159 Y CA 0.572 58.806 58.100 0.223 0.000 1.388 159 Y CB 1.900 40.467 38.460 0.177 0.000 1.309 159 Y HN 0.650 nan 8.280 nan 0.000 0.544 160 S N 1.643 117.331 115.700 -0.020 0.000 2.604 160 S HA 0.372 4.841 4.470 -0.001 0.000 0.235 160 S C 0.991 175.273 174.600 -0.529 0.000 1.043 160 S CA 0.287 58.383 58.200 -0.173 0.000 0.997 160 S CB 0.085 63.194 63.200 -0.151 0.000 0.956 160 S HN 1.429 nan 8.310 nan 0.000 0.535 161 G N 2.223 110.328 108.800 -1.158 0.000 2.611 161 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.301 161 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.301 161 G C -1.028 173.666 174.900 -0.344 0.000 1.233 161 G CA 0.652 45.316 45.100 -0.727 0.000 0.993 161 G HN 0.551 nan 8.290 nan 0.000 0.553 162 D N 1.254 121.397 120.400 -0.428 0.000 2.392 162 D HA 0.547 5.186 4.640 -0.001 0.000 0.228 162 D C 0.614 176.501 176.300 -0.687 0.000 1.074 162 D CA -0.573 53.048 54.000 -0.631 0.000 0.838 162 D CB 1.128 41.133 40.800 -1.324 0.000 1.067 162 D HN 0.340 nan 8.370 nan 0.000 0.511 163 L N 1.747 122.651 121.223 -0.531 0.000 2.461 163 L HA 0.370 4.709 4.340 -0.001 0.000 0.272 163 L C 1.357 178.008 176.870 -0.364 0.000 1.197 163 L CA 0.247 54.771 54.840 -0.528 0.000 0.836 163 L CB 0.614 42.297 42.059 -0.626 0.000 1.105 163 L HN 0.355 nan 8.230 nan 0.000 0.477 164 G N 1.850 110.506 108.800 -0.240 0.000 2.511 164 G HA2 0.164 4.123 3.960 -0.001 0.000 0.316 164 G HA3 0.164 4.123 3.960 -0.001 0.000 0.316 164 G C -0.135 174.705 174.900 -0.100 0.000 1.210 164 G CA -0.646 44.392 45.100 -0.104 0.000 0.969 164 G HN 0.754 nan 8.290 nan 0.000 0.492 165 N N -0.472 118.175 118.700 -0.088 0.000 2.415 165 N HA 0.107 4.846 4.740 -0.001 0.000 0.250 165 N C 1.697 177.137 175.510 -0.117 0.000 1.127 165 N CA -0.616 52.380 53.050 -0.090 0.000 0.945 165 N CB 0.462 38.846 38.487 -0.172 0.000 1.196 165 N HN 0.477 nan 8.380 nan 0.000 0.499 166 R N 2.993 123.444 120.500 -0.083 0.000 2.341 166 R HA -0.103 4.236 4.340 -0.001 0.000 0.213 166 R C 0.567 176.800 176.300 -0.111 0.000 1.082 166 R CA 1.381 57.429 56.100 -0.086 0.000 1.017 166 R CB -0.179 30.096 30.300 -0.042 0.000 0.860 166 R HN 0.623 nan 8.270 nan 0.000 0.473 167 E N 0.588 120.711 120.200 -0.129 0.000 2.318 167 E HA 0.026 4.375 4.350 -0.001 0.000 0.193 167 E C 0.136 176.456 176.600 -0.466 0.000 0.998 167 E CA 0.180 56.485 56.400 -0.157 0.000 0.859 167 E CB 0.168 29.856 29.700 -0.020 0.000 0.812 167 E HN 0.415 nan 8.360 nan 0.000 0.492 168 K N 0.848 120.866 120.400 -0.637 0.000 2.343 168 K HA 0.001 4.321 4.320 -0.001 0.000 0.250 168 K C 0.354 176.518 176.600 -0.727 0.000 1.087 168 K CA 0.271 55.855 56.287 -1.173 0.000 0.853 168 K CB 0.286 32.398 32.500 -0.647 0.000 1.133 168 K HN -0.113 nan 8.250 nan 0.000 0.509 169 D N -0.950 119.148 120.400 -0.502 0.000 2.489 169 D HA 0.040 4.679 4.640 -0.001 0.000 0.231 169 D C 1.616 177.853 176.300 -0.105 0.000 1.114 169 D CA 0.241 54.141 54.000 -0.166 0.000 0.842 169 D CB 0.412 41.258 40.800 0.076 0.000 1.133 169 D HN 0.106 nan 8.370 nan 0.000 0.506 170 V N 1.303 121.134 119.914 -0.138 0.000 2.273 170 V HA -0.050 4.070 4.120 -0.001 0.000 0.242 170 V C 1.071 177.177 176.094 0.020 0.000 1.035 170 V CA 0.873 63.092 62.300 -0.135 0.000 1.013 170 V CB -0.097 31.689 31.823 -0.062 0.000 0.652 170 V HN 0.109 nan 8.190 nan 0.000 0.452 171 L N 1.561 122.783 121.223 -0.001 0.000 2.439 171 L HA 0.352 4.691 4.340 -0.001 0.000 0.261 171 L C -2.112 174.732 176.870 -0.043 0.000 1.153 171 L CA -1.629 53.211 54.840 -0.000 0.000 0.808 171 L CB -0.600 41.418 42.059 -0.067 0.000 1.126 171 L HN 0.162 nan 8.230 nan 0.000 0.460 172 P HA 0.120 nan 4.420 nan 0.000 0.279 172 P C -0.759 176.492 177.300 -0.082 0.000 1.252 172 P CA -0.674 62.386 63.100 -0.067 0.000 0.811 172 P CB 0.845 32.495 31.700 -0.085 0.000 1.035 173 D N 1.976 122.336 120.400 -0.066 0.000 2.525 173 D HA 0.066 4.705 4.640 -0.001 0.000 0.235 173 D C -1.902 174.374 176.300 -0.040 0.000 1.137 173 D CA -0.148 53.821 54.000 -0.051 0.000 0.868 173 D CB -0.367 40.418 40.800 -0.025 0.000 1.180 173 D HN 0.219 nan 8.370 nan 0.000 0.465 174 P HA 0.009 nan 4.420 nan 0.000 0.270 174 P C -0.367 177.015 177.300 0.137 0.000 1.223 174 P CA -0.158 62.954 63.100 0.019 0.000 0.785 174 P CB 0.648 32.306 31.700 -0.069 0.000 0.923 175 S N 1.645 117.517 115.700 0.286 0.000 2.541 175 S HA 0.353 4.822 4.470 -0.001 0.000 0.283 175 S C 0.069 174.970 174.600 0.502 0.000 1.196 175 S CA -0.709 57.686 58.200 0.326 0.000 1.062 175 S CB -0.200 63.161 63.200 0.268 0.000 1.009 175 S HN 0.232 nan 8.310 nan 0.000 0.502 176 L N 5.101 126.486 121.223 0.270 0.000 2.483 176 L HA 0.264 4.604 4.340 -0.001 0.000 0.277 176 L C -1.671 175.144 176.870 -0.092 0.000 1.248 176 L CA -1.173 53.690 54.840 0.038 0.000 0.825 176 L CB 0.092 42.119 42.059 -0.053 0.000 1.096 176 L HN 0.579 nan 8.230 nan 0.000 0.512 177 P HA 0.333 nan 4.420 nan 0.000 0.285 177 P C -2.681 174.465 177.300 -0.257 0.000 1.269 177 P CA -1.831 60.914 63.100 -0.591 0.000 0.844 177 P CB 0.857 31.743 31.700 -1.358 0.000 1.094 178 P HA 0.141 nan 4.420 nan 0.000 0.274 178 P C -0.210 177.039 177.300 -0.084 0.000 1.246 178 P CA -0.452 62.638 63.100 -0.017 0.000 0.795 178 P CB 0.482 32.232 31.700 0.084 0.000 1.006 179 L N 0.858 122.046 121.223 -0.058 0.000 2.513 179 L HA 0.358 4.698 4.340 -0.001 0.000 0.272 179 L C 0.052 176.896 176.870 -0.044 0.000 1.187 179 L CA 0.545 55.345 54.840 -0.068 0.000 0.895 179 L CB -0.725 41.307 42.059 -0.043 0.000 1.147 179 L HN 0.619 nan 8.230 nan 0.000 0.483 180 A N 3.622 126.408 122.820 -0.057 0.000 2.475 180 A HA 0.633 4.952 4.320 -0.001 0.000 0.281 180 A C 0.010 177.581 177.584 -0.022 0.000 1.263 180 A CA -0.244 51.777 52.037 -0.027 0.000 0.776 180 A CB 0.827 19.812 19.000 -0.025 0.000 1.347 180 A HN 0.735 nan 8.150 nan 0.000 0.443 181 D N -1.335 119.062 120.400 -0.005 0.000 2.407 181 D HA 0.391 5.031 4.640 -0.001 0.000 0.208 181 D C -0.650 175.651 176.300 0.001 0.000 1.083 181 D CA 0.371 54.369 54.000 -0.004 0.000 0.844 181 D CB 0.923 41.724 40.800 0.001 0.000 0.967 181 D HN 0.222 nan 8.370 nan 0.000 0.506 182 L N 0.114 121.342 121.223 0.008 0.000 2.592 182 L HA 0.371 4.711 4.340 -0.001 0.000 0.258 182 L C -1.896 174.997 176.870 0.038 0.000 0.926 182 L CA -0.739 54.114 54.840 0.021 0.000 0.885 182 L CB 2.067 44.141 42.059 0.026 0.000 1.380 182 L HN -0.222 nan 8.230 nan 0.000 0.415 183 V N 5.598 125.542 119.914 0.050 0.000 2.361 183 V HA 0.268 4.388 4.120 -0.001 0.000 0.252 183 V C 0.010 176.201 176.094 0.161 0.000 0.986 183 V CA -0.476 61.877 62.300 0.088 0.000 1.033 183 V CB 0.938 32.776 31.823 0.025 0.000 1.282 183 V HN 0.678 nan 8.190 nan 0.000 0.514 184 L N 3.698 125.030 121.223 0.181 0.000 2.865 184 L HA 0.304 4.643 4.340 -0.001 0.000 0.283 184 L C 0.669 177.741 176.870 0.338 0.000 1.101 184 L CA 0.898 55.866 54.840 0.214 0.000 1.061 184 L CB -0.376 41.797 42.059 0.189 0.000 1.437 184 L HN 0.575 nan 8.230 nan 0.000 0.460 185 A N 4.258 127.237 122.820 0.265 0.000 2.330 185 A HA 0.729 5.048 4.320 -0.001 0.000 0.329 185 A C -0.254 177.458 177.584 0.214 0.000 1.135 185 A CA -0.584 51.613 52.037 0.267 0.000 0.817 185 A CB 0.843 20.002 19.000 0.265 0.000 1.269 185 A HN 0.779 nan 8.150 nan 0.000 0.469 186 E N -0.193 120.105 120.200 0.163 0.000 2.292 186 E HA 0.635 4.985 4.350 -0.001 0.000 0.258 186 E C 0.369 177.028 176.600 0.098 0.000 1.115 186 E CA -0.152 56.336 56.400 0.146 0.000 0.929 186 E CB 0.921 30.701 29.700 0.132 0.000 1.161 186 E HN 0.767 nan 8.360 nan 0.000 0.453 187 G N -0.300 108.551 108.800 0.086 0.000 5.070 187 G HA2 0.013 3.972 3.960 -0.001 0.000 0.249 187 G HA3 0.013 3.972 3.960 -0.001 0.000 0.249 187 G C 0.552 175.472 174.900 0.033 0.000 0.931 187 G CA 0.104 45.242 45.100 0.062 0.000 0.753 187 G HN 0.461 nan 8.290 nan 0.000 0.320 188 T N 0.317 114.892 114.554 0.035 0.000 2.736 188 T HA -0.269 4.081 4.350 -0.001 0.000 0.265 188 T C 0.780 175.369 174.700 -0.185 0.000 1.031 188 T CA 1.555 63.603 62.100 -0.087 0.000 1.155 188 T CB -0.236 68.549 68.868 -0.139 0.000 0.849 188 T HN 0.365 nan 8.240 nan 0.000 0.471 189 Y N 0.276 120.517 120.300 -0.098 0.000 2.525 189 Y HA 0.527 5.077 4.550 -0.001 0.000 0.365 189 Y C 1.361 177.207 175.900 -0.090 0.000 0.929 189 Y CA -1.045 56.981 58.100 -0.122 0.000 1.196 189 Y CB 0.533 38.879 38.460 -0.190 0.000 1.232 189 Y HN 0.122 nan 8.280 nan 0.000 0.613 190 G N -0.506 108.298 108.800 0.006 0.000 2.777 190 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.211 190 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.211 190 G C 1.255 176.158 174.900 0.004 0.000 1.149 190 G CA 0.704 45.814 45.100 0.016 0.000 0.785 190 G HN 0.492 nan 8.290 nan 0.000 0.536 191 D N 1.081 121.467 120.400 -0.022 0.000 2.110 191 D HA 0.006 4.646 4.640 -0.001 0.000 0.202 191 D C 1.059 177.369 176.300 0.015 0.000 0.975 191 D CA 0.712 54.705 54.000 -0.012 0.000 0.839 191 D CB -0.072 40.707 40.800 -0.036 0.000 0.996 191 D HN 0.359 nan 8.370 nan 0.000 0.464 192 R N -0.680 119.839 120.500 0.033 0.000 2.740 192 R HA 0.592 4.932 4.340 -0.001 0.000 0.273 192 R C -2.938 173.387 176.300 0.042 0.000 0.998 192 R CA -2.145 53.986 56.100 0.051 0.000 0.900 192 R CB -0.272 30.071 30.300 0.071 0.000 1.223 192 R HN -0.089 nan 8.270 nan 0.000 0.466 193 P HA 0.166 nan 4.420 nan 0.000 0.274 193 P C -0.641 176.656 177.300 -0.004 0.000 1.237 193 P CA -0.180 62.904 63.100 -0.026 0.000 0.793 193 P CB 0.497 32.215 31.700 0.030 0.000 0.977 194 H N 0.961 120.079 119.070 0.081 0.000 2.660 194 H HA 0.204 4.760 4.556 -0.001 0.000 0.374 194 H C 0.831 176.218 175.328 0.098 0.000 1.291 194 H CA 0.238 56.329 56.048 0.072 0.000 1.437 194 H CB 0.489 30.253 29.762 0.003 0.000 1.509 194 H HN 0.267 nan 8.280 nan 0.000 0.614 195 R N 1.715 122.378 120.500 0.271 0.000 2.234 195 R HA 0.167 4.507 4.340 -0.001 0.000 0.324 195 R C -2.310 174.097 176.300 0.179 0.000 1.054 195 R CA -1.695 54.520 56.100 0.191 0.000 0.912 195 R CB 0.107 30.513 30.300 0.177 0.000 1.030 195 R HN 0.324 nan 8.270 nan 0.000 0.455 196 P HA -0.205 nan 4.420 nan 0.000 0.252 196 P C -0.017 177.377 177.300 0.156 0.000 1.136 196 P CA 0.741 63.929 63.100 0.146 0.000 0.778 196 P CB 0.039 31.806 31.700 0.112 0.000 0.722 197 Y N 5.733 126.060 120.300 0.045 0.000 2.030 197 Y HA -0.388 4.162 4.550 -0.001 0.000 0.272 197 Y C 2.579 178.501 175.900 0.036 0.000 1.185 197 Y CA 2.152 60.260 58.100 0.012 0.000 1.120 197 Y CB -0.342 38.088 38.460 -0.050 0.000 0.955 197 Y HN 0.150 nan 8.280 nan 0.000 0.495 198 R N 1.058 121.668 120.500 0.183 0.000 2.159 198 R HA -0.276 4.064 4.340 -0.001 0.000 0.252 198 R C 2.041 178.336 176.300 -0.008 0.000 1.144 198 R CA 2.501 58.659 56.100 0.097 0.000 0.961 198 R CB -0.810 29.563 30.300 0.122 0.000 0.877 198 R HN 0.760 nan 8.270 nan 0.000 0.444 199 E N -2.125 118.084 120.200 0.015 0.000 2.481 199 E HA -0.010 4.340 4.350 -0.001 0.000 0.195 199 E C 0.964 177.570 176.600 0.009 0.000 1.047 199 E CA 1.073 57.481 56.400 0.013 0.000 0.867 199 E CB 0.121 29.845 29.700 0.039 0.000 0.858 199 E HN 0.229 nan 8.360 nan 0.000 0.513 200 T N 0.486 115.023 114.554 -0.028 0.000 2.978 200 T HA -0.000 4.349 4.350 -0.001 0.000 0.262 200 T C 1.830 176.587 174.700 0.095 0.000 1.063 200 T CA 0.636 62.762 62.100 0.043 0.000 1.140 200 T CB 0.209 69.117 68.868 0.066 0.000 0.886 200 T HN 0.043 nan 8.240 nan 0.000 0.470 201 V N 1.199 121.044 119.914 -0.115 0.000 3.052 201 V HA 0.063 4.182 4.120 -0.001 0.000 0.254 201 V C 2.471 178.587 176.094 0.035 0.000 1.100 201 V CA 0.922 63.212 62.300 -0.017 0.000 1.112 201 V CB -0.442 31.232 31.823 -0.247 0.000 0.738 201 V HN 0.295 nan 8.190 nan 0.000 0.469 202 R N 0.839 121.323 120.500 -0.027 0.000 2.070 202 R HA -0.221 4.119 4.340 -0.001 0.000 0.232 202 R C 2.363 178.654 176.300 -0.015 0.000 1.138 202 R CA 2.252 58.329 56.100 -0.038 0.000 0.936 202 R CB -0.304 29.980 30.300 -0.026 0.000 0.839 202 R HN 0.584 nan 8.270 nan 0.000 0.429 203 E N -0.673 119.533 120.200 0.010 0.000 2.204 203 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 203 E C 1.697 178.270 176.600 -0.044 0.000 0.989 203 E CA 0.962 57.350 56.400 -0.020 0.000 0.824 203 E CB -0.144 29.556 29.700 0.000 0.000 0.756 203 E HN 0.417 nan 8.360 nan 0.000 0.477 204 F N 0.962 120.851 119.950 -0.101 0.000 2.084 204 F HA -0.140 4.386 4.527 -0.001 0.000 0.296 204 F C 1.837 177.567 175.800 -0.118 0.000 1.111 204 F CA 1.370 59.297 58.000 -0.121 0.000 1.224 204 F CB -0.122 38.843 39.000 -0.058 0.000 0.991 204 F HN -0.022 nan 8.300 nan 0.000 0.471 205 L N 0.150 121.352 121.223 -0.034 0.000 2.201 205 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 205 L C 2.439 179.186 176.870 -0.205 0.000 1.105 205 L CA 1.573 56.331 54.840 -0.136 0.000 0.775 205 L CB -0.747 41.270 42.059 -0.069 0.000 0.913 205 L HN 0.298 nan 8.230 nan 0.000 0.440 206 E N 0.770 120.865 120.200 -0.175 0.000 2.106 206 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 206 E C 2.278 178.746 176.600 -0.220 0.000 0.984 206 E CA 1.024 57.327 56.400 -0.162 0.000 0.806 206 E CB 0.076 29.704 29.700 -0.120 0.000 0.750 206 E HN 0.492 nan 8.360 nan 0.000 0.458 207 I N 0.647 121.020 120.570 -0.328 0.000 2.286 207 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 207 I C 2.292 178.201 176.117 -0.346 0.000 1.104 207 I CA 0.673 61.730 61.300 -0.404 0.000 1.397 207 I CB -0.151 37.483 38.000 -0.611 0.000 1.072 207 I HN 0.177 nan 8.210 nan 0.000 0.417 208 L N 0.423 121.397 121.223 -0.416 0.000 2.187 208 L HA -0.221 4.119 4.340 -0.001 0.000 0.213 208 L C 2.384 179.136 176.870 -0.196 0.000 1.100 208 L CA 1.002 55.650 54.840 -0.320 0.000 0.765 208 L CB -0.463 41.379 42.059 -0.362 0.000 0.904 208 L HN 0.251 nan 8.230 nan 0.000 0.437 209 E N 0.713 120.805 120.200 -0.181 0.000 1.992 209 E HA -0.267 4.082 4.350 -0.001 0.000 0.202 209 E C 1.954 178.491 176.600 -0.104 0.000 1.007 209 E CA 1.575 57.900 56.400 -0.125 0.000 0.857 209 E CB -0.089 29.543 29.700 -0.115 0.000 0.796 209 E HN 0.107 nan 8.360 nan 0.000 0.486 210 K N 0.011 120.350 120.400 -0.102 0.000 2.023 210 K HA -0.273 4.046 4.320 -0.001 0.000 0.227 210 K C 2.157 178.716 176.600 -0.067 0.000 1.054 210 K CA 2.705 58.947 56.287 -0.076 0.000 0.977 210 K CB -1.420 31.037 32.500 -0.072 0.000 0.733 210 K HN 0.281 nan 8.250 nan 0.000 0.451 211 T N -0.096 114.410 114.554 -0.080 0.000 2.452 211 T HA -0.208 4.142 4.350 -0.001 0.000 0.251 211 T C 1.888 176.554 174.700 -0.057 0.000 1.232 211 T CA 2.670 64.731 62.100 -0.064 0.000 1.226 211 T CB -0.620 68.201 68.868 -0.079 0.000 0.864 211 T HN 0.335 nan 8.240 nan 0.000 0.399 212 L N 0.911 122.093 121.223 -0.068 0.000 2.085 212 L HA -0.231 4.108 4.340 -0.001 0.000 0.218 212 L C 3.055 179.901 176.870 -0.041 0.000 1.080 212 L CA 2.011 56.821 54.840 -0.051 0.000 0.776 212 L CB -0.866 41.157 42.059 -0.060 0.000 0.891 212 L HN 0.380 nan 8.230 nan 0.000 0.437 213 S N -0.294 115.377 115.700 -0.049 0.000 2.377 213 S HA -0.278 4.192 4.470 -0.001 0.000 0.224 213 S C 1.380 175.962 174.600 -0.031 0.000 1.042 213 S CA 1.840 60.016 58.200 -0.040 0.000 1.086 213 S CB -0.557 62.616 63.200 -0.045 0.000 0.995 213 S HN 0.625 nan 8.310 nan 0.000 0.428 214 Q N 1.278 121.060 119.800 -0.030 0.000 2.380 214 Q HA 0.339 4.678 4.340 -0.001 0.000 0.254 214 Q C 0.842 176.831 176.000 -0.018 0.000 0.927 214 Q CA 0.347 56.136 55.803 -0.023 0.000 0.950 214 Q CB -0.977 27.748 28.738 -0.022 0.000 1.206 214 Q HN 0.496 nan 8.270 nan 0.000 0.414 215 G N 0.068 108.858 108.800 -0.017 0.000 2.280 215 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.282 215 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.282 215 G C 0.376 175.270 174.900 -0.009 0.000 1.000 215 G CA 0.210 45.303 45.100 -0.010 0.000 0.751 215 G HN 0.761 nan 8.290 nan 0.000 0.515 216 G N -0.874 107.917 108.800 -0.016 0.000 2.451 216 G HA2 0.599 4.558 3.960 -0.001 0.000 0.303 216 G HA3 0.599 4.558 3.960 -0.001 0.000 0.303 216 G C 0.096 174.986 174.900 -0.017 0.000 1.166 216 G CA -0.642 44.448 45.100 -0.015 0.000 0.884 216 G HN 0.434 nan 8.290 nan 0.000 0.514 217 K N -0.715 119.676 120.400 -0.014 0.000 2.090 217 K HA 0.518 4.837 4.320 -0.001 0.000 0.250 217 K C -0.741 175.838 176.600 -0.034 0.000 1.004 217 K CA -0.610 55.668 56.287 -0.015 0.000 0.919 217 K CB 2.067 34.564 32.500 -0.006 0.000 1.045 217 K HN 0.154 nan 8.250 nan 0.000 0.471 218 V N 3.131 123.020 119.914 -0.043 0.000 2.380 218 V HA 0.141 4.261 4.120 -0.001 0.000 0.268 218 V C -0.930 175.127 176.094 -0.061 0.000 1.008 218 V CA -0.810 61.451 62.300 -0.066 0.000 0.823 218 V CB 0.501 32.265 31.823 -0.098 0.000 1.053 218 V HN 0.510 nan 8.190 nan 0.000 0.446 219 L N 5.201 126.381 121.223 -0.072 0.000 2.410 219 L HA 0.425 4.765 4.340 -0.001 0.000 0.273 219 L C -0.013 176.803 176.870 -0.089 0.000 1.152 219 L CA 0.658 55.446 54.840 -0.086 0.000 0.855 219 L CB 0.569 42.582 42.059 -0.076 0.000 1.129 219 L HN 0.456 nan 8.230 nan 0.000 0.463 220 I N 5.833 126.367 120.570 -0.061 0.000 2.542 220 I HA 0.252 4.421 4.170 -0.001 0.000 0.278 220 I C -2.377 173.732 176.117 -0.013 0.000 1.069 220 I CA -1.591 59.693 61.300 -0.028 0.000 1.100 220 I CB 1.925 39.949 38.000 0.039 0.000 1.204 220 I HN 0.411 nan 8.210 nan 0.000 0.470 221 P HA 0.194 nan 4.420 nan 0.000 0.276 221 P C -0.455 176.803 177.300 -0.070 0.000 1.243 221 P CA 0.224 63.312 63.100 -0.020 0.000 0.768 221 P CB 1.279 32.997 31.700 0.030 0.000 0.856 222 T N -0.086 114.386 114.554 -0.137 0.000 2.843 222 T HA 0.604 4.953 4.350 -0.001 0.000 0.302 222 T C -0.541 174.002 174.700 -0.263 0.000 1.232 222 T CA -0.723 61.275 62.100 -0.170 0.000 1.009 222 T CB 0.626 69.510 68.868 0.026 0.000 1.254 222 T HN 0.017 nan 8.240 nan 0.000 0.504 223 F N 1.075 121.093 119.950 0.113 0.000 2.410 223 F HA 0.574 5.101 4.527 -0.001 0.000 0.348 223 F C 1.608 177.459 175.800 0.085 0.000 1.106 223 F CA -0.944 57.120 58.000 0.107 0.000 1.163 223 F CB 0.808 39.884 39.000 0.126 0.000 1.129 223 F HN 0.867 nan 8.300 nan 0.000 0.516 224 A N 2.693 125.649 122.820 0.225 0.000 2.247 224 A HA 0.152 4.471 4.320 -0.001 0.000 0.205 224 A C 1.279 178.936 177.584 0.121 0.000 1.261 224 A CA 0.718 52.834 52.037 0.132 0.000 0.853 224 A CB -0.852 18.213 19.000 0.108 0.000 0.793 224 A HN 0.665 nan 8.150 nan 0.000 0.487 225 V N -1.696 118.325 119.914 0.179 0.000 3.013 225 V HA 0.114 4.234 4.120 -0.001 0.000 0.238 225 V C 1.922 178.082 176.094 0.111 0.000 1.161 225 V CA 1.370 63.755 62.300 0.142 0.000 1.170 225 V CB 0.452 32.390 31.823 0.191 0.000 0.917 225 V HN 0.631 nan 8.190 nan 0.000 0.478 226 E N -0.518 119.762 120.200 0.134 0.000 2.629 226 E HA 0.036 4.386 4.350 -0.001 0.000 0.196 226 E C 1.938 178.602 176.600 0.107 0.000 0.977 226 E CA 0.063 56.526 56.400 0.105 0.000 1.663 226 E CB 0.444 30.185 29.700 0.068 0.000 2.258 226 E HN 0.209 nan 8.360 nan 0.000 1.079 227 R N 1.456 122.069 120.500 0.189 0.000 2.115 227 R HA 0.143 4.482 4.340 -0.001 0.000 0.230 227 R C 2.025 178.431 176.300 0.176 0.000 1.111 227 R CA 1.773 58.011 56.100 0.231 0.000 0.976 227 R CB -0.539 29.981 30.300 0.367 0.000 0.870 227 R HN 0.181 nan 8.270 nan 0.000 0.445 228 A N 0.876 123.770 122.820 0.123 0.000 1.828 228 A HA -0.214 4.106 4.320 -0.001 0.000 0.215 228 A C 1.843 179.443 177.584 0.026 0.000 1.203 228 A CA 1.709 53.785 52.037 0.065 0.000 0.614 228 A CB -0.718 18.297 19.000 0.026 0.000 0.844 228 A HN 0.474 nan 8.150 nan 0.000 0.445 229 Q N -0.029 119.711 119.800 -0.100 0.000 2.297 229 Q HA -0.223 4.117 4.340 -0.001 0.000 0.208 229 Q C 1.607 177.625 176.000 0.029 0.000 0.981 229 Q CA 1.631 57.322 55.803 -0.187 0.000 0.876 229 Q CB -0.658 27.639 28.738 -0.735 0.000 0.921 229 Q HN 0.889 nan 8.270 nan 0.000 0.446 230 E N 0.337 120.588 120.200 0.085 0.000 2.338 230 E HA -0.117 4.233 4.350 -0.001 0.000 0.197 230 E C 1.603 178.365 176.600 0.270 0.000 1.007 230 E CA 0.286 56.806 56.400 0.200 0.000 0.849 230 E CB 0.210 29.997 29.700 0.145 0.000 0.774 230 E HN 0.221 nan 8.360 nan 0.000 0.506 231 I N 0.820 121.523 120.570 0.223 0.000 2.235 231 I HA -0.189 3.980 4.170 -0.001 0.000 0.241 231 I C 2.152 178.407 176.117 0.230 0.000 1.085 231 I CA 0.903 62.326 61.300 0.205 0.000 1.378 231 I CB -0.946 37.151 38.000 0.160 0.000 1.076 231 I HN 0.245 nan 8.210 nan 0.000 0.415 232 L N -0.446 120.909 121.223 0.220 0.000 2.651 232 L HA -0.229 4.110 4.340 -0.001 0.000 0.236 232 L C 2.262 179.325 176.870 0.321 0.000 1.173 232 L CA 0.827 55.807 54.840 0.233 0.000 0.843 232 L CB -0.709 41.461 42.059 0.184 0.000 0.964 232 L HN 0.270 nan 8.230 nan 0.000 0.454 233 Y N -0.563 119.869 120.300 0.220 0.000 2.353 233 Y HA -0.013 4.536 4.550 -0.001 0.000 0.294 233 Y C 2.198 178.176 175.900 0.130 0.000 1.135 233 Y CA 0.761 58.944 58.100 0.138 0.000 1.176 233 Y CB -0.040 38.538 38.460 0.197 0.000 1.124 233 Y HN -0.154 nan 8.280 nan 0.000 0.537 234 V N 1.005 121.011 119.914 0.154 0.000 2.407 234 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 234 V C 2.333 178.524 176.094 0.163 0.000 1.055 234 V CA 1.846 64.227 62.300 0.135 0.000 1.049 234 V CB -0.844 31.104 31.823 0.209 0.000 0.662 234 V HN 0.397 nan 8.190 nan 0.000 0.455 235 L N -1.502 119.836 121.223 0.191 0.000 2.456 235 L HA -0.145 4.194 4.340 -0.001 0.000 0.224 235 L C 2.254 179.176 176.870 0.086 0.000 1.148 235 L CA 1.511 56.458 54.840 0.178 0.000 0.825 235 L CB -0.485 41.686 42.059 0.187 0.000 0.937 235 L HN 0.442 nan 8.230 nan 0.000 0.450 236 Y N 0.601 120.833 120.300 -0.113 0.000 2.396 236 Y HA -0.147 4.402 4.550 -0.001 0.000 0.292 236 Y C 2.844 178.541 175.900 -0.337 0.000 1.128 236 Y CA 1.401 59.367 58.100 -0.224 0.000 1.194 236 Y CB 0.157 38.432 38.460 -0.309 0.000 1.124 236 Y HN 0.161 nan 8.280 nan 0.000 0.543 237 T N -3.141 111.248 114.554 -0.275 0.000 3.055 237 T HA -0.076 4.273 4.350 -0.001 0.000 0.265 237 T C 0.987 175.392 174.700 -0.493 0.000 1.111 237 T CA 1.450 63.268 62.100 -0.470 0.000 1.118 237 T CB -0.257 68.227 68.868 -0.641 0.000 0.909 237 T HN 0.438 nan 8.240 nan 0.000 0.501 238 H N -0.705 118.357 119.070 -0.013 0.000 3.233 238 H HA 0.403 4.958 4.556 -0.001 0.000 0.263 238 H C 2.172 177.576 175.328 0.127 0.000 1.168 238 H CA 0.148 56.265 56.048 0.115 0.000 1.159 238 H CB 0.358 30.172 29.762 0.087 0.000 1.593 238 H HN 0.484 nan 8.280 nan 0.000 0.580 239 G N 1.519 110.398 108.800 0.132 0.000 2.432 239 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 239 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 239 G C 1.500 176.437 174.900 0.061 0.000 1.135 239 G CA 0.922 46.055 45.100 0.055 0.000 0.767 239 G HN 0.513 nan 8.290 nan 0.000 0.550 240 H N 1.331 120.328 119.070 -0.121 0.000 2.541 240 H HA -0.068 4.488 4.556 -0.001 0.000 0.289 240 H C 1.616 176.909 175.328 -0.058 0.000 1.054 240 H CA 1.153 57.139 56.048 -0.103 0.000 1.250 240 H CB -0.272 29.419 29.762 -0.119 0.000 1.369 240 H HN 0.582 nan 8.280 nan 0.000 0.578 241 R N 0.306 120.601 120.500 -0.342 0.000 2.748 241 R HA 0.453 4.793 4.340 -0.001 0.000 0.395 241 R C -0.954 175.261 176.300 -0.143 0.000 1.128 241 R CA -0.279 55.637 56.100 -0.307 0.000 1.042 241 R CB 0.071 30.127 30.300 -0.407 0.000 1.392 241 R HN 0.102 nan 8.270 nan 0.000 0.582 242 L N 1.750 122.918 121.223 -0.091 0.000 2.436 242 L HA 0.550 4.889 4.340 -0.001 0.000 0.268 242 L C -2.214 174.623 176.870 -0.055 0.000 0.974 242 L CA -2.545 52.256 54.840 -0.065 0.000 0.826 242 L CB 2.500 44.535 42.059 -0.040 0.000 1.291 242 L HN 0.096 nan 8.230 nan 0.000 0.406 243 P HA -0.024 nan 4.420 nan 0.000 0.261 243 P C -0.650 176.629 177.300 -0.034 0.000 1.183 243 P CA -0.324 62.751 63.100 -0.042 0.000 0.761 243 P CB 0.294 31.970 31.700 -0.041 0.000 0.785 244 R N 2.378 122.859 120.500 -0.031 0.000 2.561 244 R HA 0.316 4.656 4.340 -0.001 0.000 0.347 244 R C -0.443 175.846 176.300 -0.019 0.000 0.916 244 R CA 0.043 56.127 56.100 -0.028 0.000 1.063 244 R CB -0.983 29.301 30.300 -0.027 0.000 0.916 244 R HN 0.463 nan 8.270 nan 0.000 0.410 245 A N 5.778 128.587 122.820 -0.018 0.000 2.375 245 A HA 0.472 4.791 4.320 -0.001 0.000 0.295 245 A C -2.410 175.167 177.584 -0.012 0.000 1.066 245 A CA -1.792 50.246 52.037 0.001 0.000 0.722 245 A CB 1.504 20.507 19.000 0.006 0.000 1.206 245 A HN 0.650 nan 8.150 nan 0.000 0.435 246 P HA 0.101 nan 4.420 nan 0.000 0.261 246 P C -0.646 176.537 177.300 -0.195 0.000 1.183 246 P CA 0.668 63.672 63.100 -0.159 0.000 0.761 246 P CB 0.360 31.971 31.700 -0.147 0.000 0.785 247 I N 4.560 124.963 120.570 -0.279 0.000 2.307 247 I HA 0.222 4.392 4.170 -0.001 0.000 0.289 247 I C -0.061 175.898 176.117 -0.264 0.000 1.021 247 I CA -0.865 60.349 61.300 -0.143 0.000 1.224 247 I CB 0.273 38.243 38.000 -0.050 0.000 1.376 247 I HN 0.254 nan 8.210 nan 0.000 0.470 248 Y N 6.159 126.455 120.300 -0.006 0.000 2.328 248 Y HA 0.383 4.932 4.550 -0.001 0.000 0.337 248 Y C -0.104 175.789 175.900 -0.012 0.000 1.008 248 Y CA -0.933 57.163 58.100 -0.006 0.000 1.129 248 Y CB 1.388 39.844 38.460 -0.008 0.000 1.185 248 Y HN 0.411 nan 8.280 nan 0.000 0.476 249 L N 4.223 125.517 121.223 0.118 0.000 2.352 249 L HA 0.280 4.619 4.340 -0.001 0.000 0.272 249 L C -0.069 176.856 176.870 0.092 0.000 1.109 249 L CA -0.314 54.573 54.840 0.077 0.000 0.952 249 L CB -0.131 41.955 42.059 0.045 0.000 1.314 249 L HN 0.589 nan 8.230 nan 0.000 0.427 250 D N 1.808 122.266 120.400 0.096 0.000 2.745 250 D HA 0.106 4.746 4.640 -0.001 0.000 0.229 250 D C -0.455 175.909 176.300 0.106 0.000 1.088 250 D CA 0.467 54.540 54.000 0.122 0.000 1.054 250 D CB 0.061 40.965 40.800 0.173 0.000 1.132 250 D HN 0.300 nan 8.370 nan 0.000 0.464 251 S N 1.744 117.496 115.700 0.086 0.000 2.536 251 S HA 0.299 4.768 4.470 -0.001 0.000 0.246 251 S C -2.134 172.508 174.600 0.068 0.000 1.077 251 S CA -1.112 57.135 58.200 0.077 0.000 1.091 251 S CB 1.177 64.414 63.200 0.063 0.000 1.148 251 S HN -0.001 nan 8.310 nan 0.000 0.447 252 P HA -0.128 nan 4.420 nan 0.000 0.217 252 P C 1.466 178.802 177.300 0.061 0.000 1.148 252 P CA 1.029 64.172 63.100 0.072 0.000 0.828 252 P CB 0.121 31.872 31.700 0.085 0.000 0.783 253 M N -0.939 118.699 119.600 0.063 0.000 2.134 253 M HA -0.041 4.438 4.480 -0.001 0.000 0.262 253 M C 1.957 178.281 176.300 0.041 0.000 1.076 253 M CA 1.772 57.107 55.300 0.058 0.000 1.143 253 M CB -0.457 32.187 32.600 0.073 0.000 1.346 253 M HN -0.140 nan 8.290 nan 0.000 0.421 254 A N 0.060 122.902 122.820 0.036 0.000 2.139 254 A HA -0.109 4.211 4.320 -0.001 0.000 0.221 254 A C 2.074 179.642 177.584 -0.026 0.000 1.159 254 A CA 1.812 53.848 52.037 -0.002 0.000 0.662 254 A CB -1.462 17.542 19.000 0.007 0.000 0.796 254 A HN 0.697 nan 8.150 nan 0.000 0.463 255 G N -1.010 107.794 108.800 0.007 0.000 2.426 255 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.214 255 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.214 255 G C 1.734 176.642 174.900 0.013 0.000 1.156 255 G CA 0.517 45.623 45.100 0.009 0.000 0.802 255 G HN 0.544 nan 8.290 nan 0.000 0.534 256 R N -0.197 120.318 120.500 0.025 0.000 2.115 256 R HA 0.066 4.405 4.340 -0.001 0.000 0.226 256 R C 2.524 178.846 176.300 0.038 0.000 1.100 256 R CA 0.681 56.803 56.100 0.036 0.000 0.980 256 R CB -0.253 30.073 30.300 0.043 0.000 0.875 256 R HN 0.273 nan 8.270 nan 0.000 0.445 257 V N 1.102 121.025 119.914 0.015 0.000 2.453 257 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 257 V C 2.047 178.102 176.094 -0.064 0.000 1.048 257 V CA 1.183 63.492 62.300 0.014 0.000 1.049 257 V CB -0.246 31.563 31.823 -0.023 0.000 0.672 257 V HN 0.208 nan 8.190 nan 0.000 0.457 258 L N -0.202 120.923 121.223 -0.162 0.000 2.156 258 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 258 L C 2.389 179.270 176.870 0.019 0.000 1.095 258 L CA 1.782 56.486 54.840 -0.226 0.000 0.770 258 L CB -0.419 41.541 42.059 -0.165 0.000 0.914 258 L HN 0.231 nan 8.230 nan 0.000 0.439 259 S N -0.760 114.972 115.700 0.053 0.000 2.453 259 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 259 S C 1.668 176.349 174.600 0.136 0.000 1.005 259 S CA 1.045 59.302 58.200 0.095 0.000 0.949 259 S CB -0.246 62.994 63.200 0.067 0.000 0.774 259 S HN 0.407 nan 8.310 nan 0.000 0.510 260 L N 0.212 121.531 121.223 0.160 0.000 2.341 260 L HA 0.237 4.577 4.340 -0.001 0.000 0.214 260 L C 1.524 178.562 176.870 0.280 0.000 1.115 260 L CA 1.224 56.171 54.840 0.179 0.000 0.820 260 L CB -0.576 41.574 42.059 0.153 0.000 0.944 260 L HN 0.294 nan 8.230 nan 0.000 0.452 261 Y N 0.117 120.477 120.300 0.100 0.000 2.365 261 Y HA -0.205 4.345 4.550 -0.001 0.000 0.287 261 Y C -0.512 175.561 175.900 0.288 0.000 1.162 261 Y CA 0.794 59.017 58.100 0.205 0.000 1.260 261 Y CB -0.925 37.560 38.460 0.042 0.000 0.976 261 Y HN 0.373 nan 8.280 nan 0.000 0.548 262 P HA -0.133 nan 4.420 nan 0.000 0.216 262 P C 1.164 178.467 177.300 0.005 0.000 1.156 262 P CA 1.259 64.451 63.100 0.153 0.000 0.855 262 P CB -0.033 31.779 31.700 0.187 0.000 0.786 263 R N 0.039 120.566 120.500 0.044 0.000 2.377 263 R HA -0.036 4.303 4.340 -0.001 0.000 0.207 263 R C 0.109 176.398 176.300 -0.019 0.000 1.075 263 R CA 0.737 56.837 56.100 0.001 0.000 1.035 263 R CB -0.512 29.800 30.300 0.020 0.000 0.857 263 R HN 0.152 nan 8.270 nan 0.000 0.475 264 L N -0.502 120.708 121.223 -0.021 0.000 3.122 264 L HA 0.059 4.398 4.340 -0.001 0.000 0.274 264 L C 1.403 178.136 176.870 -0.229 0.000 1.222 264 L CA 0.208 55.001 54.840 -0.078 0.000 1.028 264 L CB 0.695 42.620 42.059 -0.223 0.000 1.386 264 L HN -0.117 nan 8.230 nan 0.000 0.578 265 V N 1.283 121.094 119.914 -0.171 0.000 2.439 265 V HA -0.345 3.775 4.120 -0.001 0.000 0.253 265 V C 2.739 178.731 176.094 -0.170 0.000 1.074 265 V CA 2.558 64.730 62.300 -0.212 0.000 1.076 265 V CB -0.219 31.244 31.823 -0.599 0.000 0.664 265 V HN 0.749 nan 8.190 nan 0.000 0.461 266 R N -1.307 119.001 120.500 -0.320 0.000 2.096 266 R HA -0.179 4.161 4.340 -0.001 0.000 0.235 266 R C 2.104 178.113 176.300 -0.485 0.000 1.127 266 R CA 2.363 58.218 56.100 -0.409 0.000 0.968 266 R CB -1.050 28.906 30.300 -0.572 0.000 0.861 266 R HN 0.538 nan 8.270 nan 0.000 0.440 267 Y N 0.478 120.513 120.300 -0.443 0.000 2.509 267 Y HA 0.084 4.633 4.550 -0.001 0.000 0.293 267 Y C 0.560 176.157 175.900 -0.505 0.000 1.133 267 Y CA 0.082 57.887 58.100 -0.492 0.000 1.283 267 Y CB -0.196 37.878 38.460 -0.643 0.000 1.001 267 Y HN -0.103 nan 8.280 nan 0.000 0.555 268 F N -0.311 119.638 119.950 -0.003 0.000 2.373 268 F HA 0.235 4.761 4.527 -0.001 0.000 0.302 268 F C 1.186 176.965 175.800 -0.034 0.000 1.247 268 F CA -1.370 56.621 58.000 -0.015 0.000 1.169 268 F CB -0.149 38.881 39.000 0.050 0.000 1.309 268 F HN -0.272 nan 8.300 nan 0.000 0.537 269 S N 0.016 115.824 115.700 0.181 0.000 2.600 269 S HA 0.092 4.562 4.470 -0.001 0.000 0.265 269 S C 0.921 175.557 174.600 0.059 0.000 1.325 269 S CA -0.688 57.547 58.200 0.059 0.000 1.002 269 S CB 0.805 64.014 63.200 0.016 0.000 0.921 269 S HN 0.554 nan 8.310 nan 0.000 0.554 270 E N 1.159 121.368 120.200 0.014 0.000 2.114 270 E HA -0.250 4.099 4.350 -0.001 0.000 0.199 270 E C 1.809 178.403 176.600 -0.009 0.000 1.008 270 E CA 1.832 58.233 56.400 0.002 0.000 0.810 270 E CB -0.577 29.112 29.700 -0.018 0.000 0.739 270 E HN 0.946 nan 8.360 nan 0.000 0.456 271 E N 0.765 120.954 120.200 -0.017 0.000 2.033 271 E HA -0.183 4.166 4.350 -0.001 0.000 0.199 271 E C 2.207 178.775 176.600 -0.054 0.000 1.011 271 E CA 1.811 58.172 56.400 -0.065 0.000 0.815 271 E CB 0.047 29.768 29.700 0.034 0.000 0.755 271 E HN 0.037 nan 8.360 nan 0.000 0.451 272 V N 1.370 121.317 119.914 0.056 0.000 2.324 272 V HA -0.326 3.794 4.120 -0.001 0.000 0.250 272 V C 2.481 178.721 176.094 0.244 0.000 1.060 272 V CA 2.336 64.684 62.300 0.079 0.000 1.042 272 V CB -0.697 31.133 31.823 0.011 0.000 0.650 272 V HN 0.381 nan 8.190 nan 0.000 0.450 273 Q N -0.308 119.624 119.800 0.219 0.000 2.119 273 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 273 Q C 2.462 178.544 176.000 0.137 0.000 0.972 273 Q CA 1.539 57.482 55.803 0.232 0.000 0.847 273 Q CB -0.380 28.424 28.738 0.110 0.000 0.903 273 Q HN 0.685 nan 8.270 nan 0.000 0.433 274 A N 1.210 124.027 122.820 -0.005 0.000 1.902 274 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 274 A C 1.775 179.308 177.584 -0.085 0.000 1.181 274 A CA 1.361 53.347 52.037 -0.085 0.000 0.623 274 A CB -0.669 18.214 19.000 -0.195 0.000 0.818 274 A HN 0.336 nan 8.150 nan 0.000 0.443 275 H N -1.607 117.446 119.070 -0.029 0.000 2.321 275 H HA -0.105 4.450 4.556 -0.001 0.000 0.300 275 H C 1.974 177.215 175.328 -0.145 0.000 1.087 275 H CA 1.670 57.637 56.048 -0.135 0.000 1.319 275 H CB -0.688 28.904 29.762 -0.284 0.000 1.379 275 H HN 0.535 nan 8.280 nan 0.000 0.501 276 F N 0.533 120.509 119.950 0.043 0.000 2.161 276 F HA -0.170 4.357 4.527 -0.001 0.000 0.300 276 F C 2.486 178.294 175.800 0.014 0.000 1.089 276 F CA 0.625 58.631 58.000 0.010 0.000 1.282 276 F CB -0.580 38.432 39.000 0.021 0.000 1.010 276 F HN 0.058 nan 8.300 nan 0.000 0.485 277 L N -0.016 121.322 121.223 0.193 0.000 2.353 277 L HA -0.159 4.180 4.340 -0.001 0.000 0.220 277 L C 1.458 178.372 176.870 0.074 0.000 1.133 277 L CA 1.656 56.561 54.840 0.108 0.000 0.798 277 L CB -0.670 41.425 42.059 0.060 0.000 0.922 277 L HN 0.188 nan 8.230 nan 0.000 0.445 278 Q N -0.997 118.842 119.800 0.065 0.000 2.217 278 Q HA 0.306 4.645 4.340 -0.001 0.000 0.226 278 Q C 1.277 177.303 176.000 0.043 0.000 0.875 278 Q CA 0.414 56.243 55.803 0.044 0.000 0.974 278 Q CB 0.048 28.808 28.738 0.037 0.000 1.079 278 Q HN 0.484 nan 8.270 nan 0.000 0.463 279 G N 1.286 110.125 108.800 0.066 0.000 2.186 279 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.266 279 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.266 279 G C 0.017 174.940 174.900 0.038 0.000 0.982 279 G CA 0.465 45.604 45.100 0.066 0.000 0.670 279 G HN 0.296 nan 8.290 nan 0.000 0.533 280 K N 0.090 120.479 120.400 -0.019 0.000 2.138 280 K HA 0.397 4.716 4.320 -0.001 0.000 0.263 280 K C -0.384 175.989 176.600 -0.377 0.000 0.965 280 K CA -0.863 55.355 56.287 -0.115 0.000 0.868 280 K CB 0.941 33.396 32.500 -0.075 0.000 1.083 280 K HN 0.067 nan 8.250 nan 0.000 0.443 281 N N 4.021 122.486 118.700 -0.392 0.000 2.801 281 N HA 0.115 4.854 4.740 -0.001 0.000 0.235 281 N C -1.996 172.950 175.510 -0.940 0.000 1.069 281 N CA -2.222 50.483 53.050 -0.575 0.000 0.946 281 N CB 0.791 39.214 38.487 -0.107 0.000 1.212 281 N HN 0.315 nan 8.380 nan 0.000 0.509 282 P HA -0.039 nan 4.420 nan 0.000 0.250 282 P C -0.323 176.330 177.300 -1.079 0.000 1.239 282 P CA 0.487 62.523 63.100 -1.772 0.000 0.756 282 P CB -0.312 30.654 31.700 -1.224 0.000 1.013 283 F N -0.101 119.611 119.950 -0.397 0.000 2.791 283 F HA 0.353 4.880 4.527 -0.001 0.000 0.308 283 F C 1.112 176.876 175.800 -0.060 0.000 1.138 283 F CA -0.417 57.513 58.000 -0.117 0.000 1.294 283 F CB 0.392 39.363 39.000 -0.048 0.000 0.975 283 F HN -0.224 nan 8.300 nan 0.000 0.512 284 R N 1.098 121.639 120.500 0.068 0.000 2.627 284 R HA 0.192 4.531 4.340 -0.001 0.000 0.251 284 R C -2.666 173.785 176.300 0.252 0.000 1.524 284 R CA -1.253 54.927 56.100 0.133 0.000 1.606 284 R CB 0.904 31.257 30.300 0.087 0.000 1.396 284 R HN -0.057 nan 8.270 nan 0.000 0.724 285 P HA -0.056 nan 4.420 nan 0.000 0.273 285 P C -0.115 177.210 177.300 0.042 0.000 1.252 285 P CA -0.094 63.115 63.100 0.182 0.000 0.809 285 P CB 0.619 32.382 31.700 0.106 0.000 1.017 286 A N -0.461 122.327 122.820 -0.053 0.000 2.511 286 A HA 0.422 4.742 4.320 -0.001 0.000 0.242 286 A C 1.434 178.986 177.584 -0.053 0.000 1.069 286 A CA 0.487 52.490 52.037 -0.056 0.000 0.763 286 A CB -1.476 17.475 19.000 -0.083 0.000 1.001 286 A HN 0.910 nan 8.150 nan 0.000 0.498 287 G N 0.438 109.202 108.800 -0.060 0.000 2.203 287 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.263 287 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.263 287 G C 0.050 174.863 174.900 -0.144 0.000 1.012 287 G CA 0.478 45.520 45.100 -0.097 0.000 0.749 287 G HN 1.563 nan 8.290 nan 0.000 0.512 288 L N 0.128 121.296 121.223 -0.091 0.000 2.367 288 L HA 0.789 5.128 4.340 -0.001 0.000 0.275 288 L C 0.072 176.867 176.870 -0.125 0.000 1.129 288 L CA -0.539 54.245 54.840 -0.093 0.000 0.839 288 L CB 1.240 43.292 42.059 -0.011 0.000 1.133 288 L HN 0.261 nan 8.230 nan 0.000 0.453 289 E N 2.978 123.068 120.200 -0.184 0.000 2.288 289 E HA 0.606 4.956 4.350 -0.001 0.000 0.268 289 E C -1.696 174.892 176.600 -0.019 0.000 0.885 289 E CA -0.575 55.742 56.400 -0.139 0.000 0.767 289 E CB 1.998 31.516 29.700 -0.304 0.000 1.220 289 E HN 0.361 nan 8.360 nan 0.000 0.427 290 V N 4.139 124.066 119.914 0.022 0.000 2.350 290 V HA 0.281 4.400 4.120 -0.001 0.000 0.285 290 V C -0.467 175.665 176.094 0.064 0.000 1.014 290 V CA -0.955 61.374 62.300 0.048 0.000 0.831 290 V CB 1.545 33.385 31.823 0.029 0.000 1.000 290 V HN 0.582 nan 8.190 nan 0.000 0.433 291 V N 5.393 125.369 119.914 0.103 0.000 2.485 291 V HA 0.125 4.244 4.120 -0.001 0.000 0.287 291 V C 1.148 177.276 176.094 0.058 0.000 1.022 291 V CA 0.304 62.660 62.300 0.092 0.000 1.067 291 V CB 0.696 32.594 31.823 0.126 0.000 0.967 291 V HN 0.889 nan 8.190 nan 0.000 0.479 292 E N 2.561 122.761 120.200 -0.002 0.000 2.175 292 E HA 0.133 4.482 4.350 -0.001 0.000 0.195 292 E C 0.464 177.173 176.600 0.182 0.000 0.934 292 E CA 0.691 57.101 56.400 0.017 0.000 0.870 292 E CB 0.264 29.878 29.700 -0.144 0.000 0.838 292 E HN 0.851 nan 8.360 nan 0.000 0.474 293 H N -0.457 118.635 119.070 0.037 0.000 2.525 293 H HA 0.261 4.817 4.556 -0.001 0.000 0.340 293 H C 0.885 176.222 175.328 0.014 0.000 1.168 293 H CA -0.473 55.589 56.048 0.022 0.000 1.247 293 H CB 1.664 31.435 29.762 0.015 0.000 1.568 293 H HN -0.152 nan 8.280 nan 0.000 0.536 294 T N 0.786 115.416 114.554 0.126 0.000 2.833 294 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 294 T C 1.675 176.376 174.700 0.002 0.000 1.054 294 T CA 1.583 63.703 62.100 0.033 0.000 1.135 294 T CB -0.077 68.782 68.868 -0.015 0.000 0.869 294 T HN 0.659 nan 8.240 nan 0.000 0.466 295 E N 2.309 122.528 120.200 0.033 0.000 2.033 295 E HA -0.185 4.164 4.350 -0.001 0.000 0.199 295 E C 2.567 179.164 176.600 -0.004 0.000 1.011 295 E CA 1.427 57.831 56.400 0.007 0.000 0.815 295 E CB -0.608 29.114 29.700 0.036 0.000 0.755 295 E HN 0.524 nan 8.360 nan 0.000 0.451 296 A N 1.397 124.231 122.820 0.023 0.000 2.024 296 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 296 A C 2.358 179.936 177.584 -0.009 0.000 1.164 296 A CA 1.862 53.902 52.037 0.004 0.000 0.643 296 A CB -0.623 18.387 19.000 0.017 0.000 0.806 296 A HN 0.314 nan 8.150 nan 0.000 0.451 297 S N -0.542 115.164 115.700 0.010 0.000 2.355 297 S HA -0.151 4.318 4.470 -0.001 0.000 0.222 297 S C 2.015 176.569 174.600 -0.077 0.000 1.031 297 S CA 1.682 59.895 58.200 0.021 0.000 0.993 297 S CB -0.270 62.951 63.200 0.034 0.000 0.859 297 S HN 0.605 nan 8.310 nan 0.000 0.453 298 K N 0.567 120.890 120.400 -0.127 0.000 2.288 298 K HA 0.129 4.449 4.320 -0.001 0.000 0.201 298 K C 2.226 178.752 176.600 -0.124 0.000 1.048 298 K CA 0.742 56.926 56.287 -0.171 0.000 0.956 298 K CB -0.264 32.125 32.500 -0.185 0.000 0.746 298 K HN 0.445 nan 8.250 nan 0.000 0.461 299 A N 1.339 124.104 122.820 -0.091 0.000 1.972 299 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 299 A C 1.999 179.527 177.584 -0.093 0.000 1.169 299 A CA 1.145 53.131 52.037 -0.084 0.000 0.635 299 A CB -0.496 18.465 19.000 -0.064 0.000 0.810 299 A HN 0.172 nan 8.150 nan 0.000 0.446 300 L N -0.177 120.992 121.223 -0.090 0.000 2.083 300 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 300 L C 2.249 179.118 176.870 -0.001 0.000 1.083 300 L CA 1.026 55.813 54.840 -0.088 0.000 0.752 300 L CB -0.736 41.315 42.059 -0.014 0.000 0.899 300 L HN 0.406 nan 8.230 nan 0.000 0.433 301 N N 1.046 119.746 118.700 -0.000 0.000 2.069 301 N HA -0.210 4.529 4.740 -0.001 0.000 0.191 301 N C 1.865 177.364 175.510 -0.018 0.000 1.031 301 N CA 1.792 54.864 53.050 0.037 0.000 0.852 301 N CB -0.272 38.236 38.487 0.034 0.000 1.018 301 N HN 0.546 nan 8.380 nan 0.000 0.423 302 R N 0.695 121.143 120.500 -0.087 0.000 2.210 302 R HA 0.326 4.666 4.340 -0.001 0.000 0.203 302 R C 0.724 176.990 176.300 -0.057 0.000 1.010 302 R CA 0.275 56.320 56.100 -0.091 0.000 1.008 302 R CB -0.068 30.160 30.300 -0.120 0.000 0.923 302 R HN -0.042 nan 8.270 nan 0.000 0.469 303 A N 4.670 127.455 122.820 -0.059 0.000 2.484 303 A HA 0.225 4.544 4.320 -0.001 0.000 0.268 303 A C -1.988 175.575 177.584 -0.035 0.000 1.114 303 A CA -1.401 50.603 52.037 -0.055 0.000 0.780 303 A CB -0.188 18.756 19.000 -0.093 0.000 1.061 303 A HN 0.254 nan 8.150 nan 0.000 0.505 304 P HA 0.091 nan 4.420 nan 0.000 0.268 304 P C 0.707 178.007 177.300 -0.000 0.000 1.208 304 P CA 0.321 63.416 63.100 -0.008 0.000 0.777 304 P CB 0.598 32.294 31.700 -0.007 0.000 0.875 305 G N 2.627 111.429 108.800 0.004 0.000 2.684 305 G HA2 0.325 4.285 3.960 -0.001 0.000 0.255 305 G HA3 0.325 4.285 3.960 -0.001 0.000 0.255 305 G C -2.178 172.730 174.900 0.014 0.000 1.219 305 G CA -0.834 44.272 45.100 0.011 0.000 0.901 305 G HN 0.458 nan 8.290 nan 0.000 0.548 306 P HA 0.505 nan 4.420 nan 0.000 0.281 306 P C -0.414 176.919 177.300 0.054 0.000 1.264 306 P CA -0.239 62.873 63.100 0.021 0.000 0.824 306 P CB 1.539 33.243 31.700 0.007 0.000 1.092 307 M N -1.778 117.856 119.600 0.057 0.000 3.070 307 M HA 0.319 4.799 4.480 -0.001 0.000 0.244 307 M C -2.234 174.115 176.300 0.082 0.000 0.841 307 M CA -0.914 54.458 55.300 0.120 0.000 0.809 307 M CB 0.645 33.380 32.600 0.226 0.000 1.604 307 M HN -0.087 nan 8.290 nan 0.000 0.582 308 V N 2.039 122.017 119.914 0.106 0.000 2.409 308 V HA 0.773 4.892 4.120 -0.001 0.000 0.291 308 V C -0.563 175.585 176.094 0.090 0.000 1.020 308 V CA -0.628 61.709 62.300 0.061 0.000 0.848 308 V CB 1.529 33.379 31.823 0.044 0.000 0.990 308 V HN 0.660 nan 8.190 nan 0.000 0.430 309 V N 6.252 126.174 119.914 0.013 0.000 2.628 309 V HA 0.654 4.774 4.120 -0.001 0.000 0.306 309 V C -0.683 175.368 176.094 -0.072 0.000 1.045 309 V CA -0.622 61.645 62.300 -0.056 0.000 0.905 309 V CB 1.921 33.579 31.823 -0.275 0.000 0.997 309 V HN 0.619 nan 8.190 nan 0.000 0.436 310 L N 3.398 124.592 121.223 -0.049 0.000 2.431 310 L HA 0.984 5.323 4.340 -0.001 0.000 0.266 310 L C -0.091 176.771 176.870 -0.013 0.000 0.978 310 L CA 0.009 54.837 54.840 -0.020 0.000 0.822 310 L CB 1.923 44.000 42.059 0.029 0.000 1.310 310 L HN 0.965 nan 8.230 nan 0.000 0.409 311 A N 1.069 123.887 122.820 -0.003 0.000 2.511 311 A HA 0.913 5.232 4.320 -0.001 0.000 0.293 311 A C -0.860 176.730 177.584 0.011 0.000 1.098 311 A CA -0.033 52.026 52.037 0.036 0.000 0.643 311 A CB 0.860 19.921 19.000 0.102 0.000 1.302 311 A HN 0.816 nan 8.150 nan 0.000 0.446 312 G N -0.527 108.289 108.800 0.028 0.000 2.597 312 G HA2 0.592 4.551 3.960 -0.001 0.000 0.317 312 G HA3 0.592 4.551 3.960 -0.001 0.000 0.317 312 G C 0.165 175.078 174.900 0.022 0.000 1.230 312 G CA 0.376 45.466 45.100 -0.016 0.000 0.996 312 G HN 1.452 nan 8.290 nan 0.000 0.490 313 S N -1.587 114.117 115.700 0.007 0.000 2.589 313 S HA 0.379 4.848 4.470 -0.001 0.000 0.265 313 S C 1.708 176.190 174.600 -0.197 0.000 1.342 313 S CA 0.411 58.588 58.200 -0.039 0.000 1.005 313 S CB 0.823 64.042 63.200 0.031 0.000 0.909 313 S HN 0.997 nan 8.310 nan 0.000 0.555 314 G N 1.820 110.293 108.800 -0.544 0.000 2.623 314 G HA2 0.031 3.990 3.960 -0.001 0.000 0.214 314 G HA3 0.031 3.990 3.960 -0.001 0.000 0.214 314 G C 1.007 175.674 174.900 -0.388 0.000 1.138 314 G CA 0.115 44.579 45.100 -1.060 0.000 0.794 314 G HN 0.616 nan 8.290 nan 0.000 0.535 315 M N -0.028 119.536 119.600 -0.060 0.000 2.371 315 M HA 0.391 4.870 4.480 -0.001 0.000 0.246 315 M C 0.707 177.024 176.300 0.028 0.000 1.103 315 M CA -0.078 55.272 55.300 0.084 0.000 1.010 315 M CB -0.281 32.437 32.600 0.195 0.000 1.457 315 M HN 0.134 nan 8.290 nan 0.000 0.486 316 L N 0.114 121.346 121.223 0.015 0.000 3.598 316 L HA -0.250 4.090 4.340 -0.001 0.000 0.422 316 L C 0.842 177.726 176.870 0.025 0.000 1.262 316 L CA 0.218 55.077 54.840 0.031 0.000 0.889 316 L CB -1.935 40.164 42.059 0.066 0.000 1.857 316 L HN 0.372 nan 8.230 nan 0.000 0.858 317 A N -0.915 121.926 122.820 0.034 0.000 2.387 317 A HA 0.675 4.994 4.320 -0.001 0.000 0.234 317 A C 1.215 178.814 177.584 0.025 0.000 1.253 317 A CA 1.064 53.123 52.037 0.036 0.000 0.894 317 A CB 0.355 19.392 19.000 0.063 0.000 0.963 317 A HN 1.008 nan 8.150 nan 0.000 0.508 318 G N -2.303 106.504 108.800 0.012 0.000 2.439 318 G HA2 0.496 4.456 3.960 -0.001 0.000 0.186 318 G HA3 0.496 4.456 3.960 -0.001 0.000 0.186 318 G C 0.688 175.595 174.900 0.011 0.000 1.260 318 G CA 0.430 45.530 45.100 0.000 0.000 1.020 318 G HN 1.972 nan 8.290 nan 0.000 0.470 319 G N -0.468 108.357 108.800 0.041 0.000 2.601 319 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.261 319 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.261 319 G C 0.640 175.608 174.900 0.115 0.000 1.289 319 G CA 1.101 46.248 45.100 0.079 0.000 0.920 319 G HN 1.211 nan 8.290 nan 0.000 0.571 320 R N -0.782 119.820 120.500 0.170 0.000 2.300 320 R HA 0.303 4.643 4.340 -0.001 0.000 0.199 320 R C 2.500 178.949 176.300 0.248 0.000 0.920 320 R CA 0.653 56.918 56.100 0.275 0.000 1.046 320 R CB -0.150 30.283 30.300 0.222 0.000 0.984 320 R HN 0.484 nan 8.270 nan 0.000 0.493 321 I N 0.817 121.491 120.570 0.173 0.000 2.179 321 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 321 I C 1.445 177.627 176.117 0.108 0.000 1.088 321 I CA 1.621 63.026 61.300 0.176 0.000 1.357 321 I CB -0.078 37.969 38.000 0.078 0.000 1.051 321 I HN 0.122 nan 8.210 nan 0.000 0.409 322 L N -0.160 121.051 121.223 -0.020 0.000 2.013 322 L HA -0.298 4.042 4.340 -0.001 0.000 0.212 322 L C 2.688 179.457 176.870 -0.167 0.000 1.073 322 L CA 1.633 56.398 54.840 -0.125 0.000 0.753 322 L CB -1.517 40.402 42.059 -0.232 0.000 0.890 322 L HN 0.375 nan 8.230 nan 0.000 0.432 323 H N -0.878 118.148 119.070 -0.073 0.000 2.426 323 H HA -0.160 4.396 4.556 -0.001 0.000 0.298 323 H C 2.318 177.549 175.328 -0.163 0.000 1.107 323 H CA 1.501 57.461 56.048 -0.147 0.000 1.298 323 H CB -0.253 29.410 29.762 -0.166 0.000 1.377 323 H HN 0.494 nan 8.280 nan 0.000 0.519 324 H N -0.213 118.917 119.070 0.099 0.000 2.403 324 H HA -0.038 4.518 4.556 -0.001 0.000 0.298 324 H C 2.317 177.643 175.328 -0.003 0.000 1.059 324 H CA 0.508 56.591 56.048 0.058 0.000 1.363 324 H CB 0.054 29.839 29.762 0.040 0.000 1.410 324 H HN 0.179 nan 8.280 nan 0.000 0.528 325 L N 1.160 122.427 121.223 0.073 0.000 2.156 325 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 325 L C 2.506 179.339 176.870 -0.062 0.000 1.095 325 L CA 1.185 56.023 54.840 -0.003 0.000 0.770 325 L CB -0.432 41.616 42.059 -0.017 0.000 0.914 325 L HN 0.112 nan 8.230 nan 0.000 0.439 326 K N -0.404 119.907 120.400 -0.149 0.000 1.964 326 K HA -0.158 4.161 4.320 -0.001 0.000 0.218 326 K C 1.025 177.484 176.600 -0.235 0.000 1.043 326 K CA 1.340 57.461 56.287 -0.276 0.000 0.966 326 K CB -0.192 31.989 32.500 -0.531 0.000 0.739 326 K HN 0.321 nan 8.250 nan 0.000 0.443 327 H N -0.703 118.374 119.070 0.012 0.000 3.383 327 H HA 0.099 4.655 4.556 -0.001 0.000 0.283 327 H C 0.771 176.108 175.328 0.014 0.000 1.218 327 H CA 0.802 56.854 56.048 0.008 0.000 1.223 327 H CB 0.065 29.828 29.762 0.001 0.000 1.352 327 H HN 0.593 nan 8.280 nan 0.000 0.654 328 G N -0.288 108.545 108.800 0.054 0.000 2.445 328 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.204 328 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.204 328 G C 1.250 176.152 174.900 0.003 0.000 1.542 328 G CA -0.255 44.869 45.100 0.039 0.000 0.584 328 G HN 0.198 nan 8.290 nan 0.000 1.127 329 L N 3.213 124.425 121.223 -0.018 0.000 2.261 329 L HA -0.034 4.306 4.340 -0.001 0.000 0.216 329 L C 2.877 179.734 176.870 -0.022 0.000 1.114 329 L CA 2.259 57.080 54.840 -0.031 0.000 0.777 329 L CB -1.017 41.019 42.059 -0.039 0.000 0.910 329 L HN 0.434 nan 8.230 nan 0.000 0.440 330 S N -1.862 113.832 115.700 -0.009 0.000 2.474 330 S HA -0.088 4.381 4.470 -0.001 0.000 0.235 330 S C 0.818 175.416 174.600 -0.002 0.000 0.997 330 S CA 0.170 58.368 58.200 -0.003 0.000 0.949 330 S CB -0.153 63.055 63.200 0.012 0.000 0.766 330 S HN 0.404 nan 8.310 nan 0.000 0.517 331 D N 2.055 122.453 120.400 -0.003 0.000 2.256 331 D HA 0.312 4.952 4.640 -0.001 0.000 0.240 331 D C -2.011 174.280 176.300 -0.014 0.000 1.062 331 D CA -2.531 51.466 54.000 -0.005 0.000 0.832 331 D CB 2.016 42.817 40.800 0.001 0.000 1.135 331 D HN -0.046 nan 8.370 nan 0.000 0.484 332 P HA 0.047 nan 4.420 nan 0.000 0.245 332 P C 0.587 177.876 177.300 -0.017 0.000 1.212 332 P CA 0.273 63.361 63.100 -0.020 0.000 0.774 332 P CB 0.452 32.142 31.700 -0.017 0.000 0.999 333 R N -1.035 119.456 120.500 -0.014 0.000 2.362 333 R HA 0.177 4.516 4.340 -0.001 0.000 0.227 333 R C 0.455 176.746 176.300 -0.015 0.000 0.905 333 R CA -0.143 55.949 56.100 -0.013 0.000 1.067 333 R CB 0.118 30.411 30.300 -0.012 0.000 1.078 333 R HN 0.214 nan 8.270 nan 0.000 0.516 334 N N 0.794 119.484 118.700 -0.017 0.000 2.489 334 N HA 0.405 5.145 4.740 -0.001 0.000 0.284 334 N C -0.880 174.616 175.510 -0.024 0.000 1.158 334 N CA -0.152 52.885 53.050 -0.021 0.000 0.965 334 N CB 1.793 40.268 38.487 -0.020 0.000 1.195 334 N HN 0.009 nan 8.380 nan 0.000 0.506 335 A N 0.898 123.703 122.820 -0.024 0.000 2.371 335 A HA 0.563 4.883 4.320 -0.001 0.000 0.311 335 A C -0.956 176.598 177.584 -0.049 0.000 1.068 335 A CA -0.678 51.362 52.037 0.005 0.000 0.744 335 A CB 0.986 20.032 19.000 0.077 0.000 1.239 335 A HN 0.637 nan 8.150 nan 0.000 0.435 336 L N 3.225 124.385 121.223 -0.105 0.000 2.296 336 L HA 0.711 5.051 4.340 -0.001 0.000 0.286 336 L C -1.370 175.338 176.870 -0.270 0.000 1.023 336 L CA -0.669 54.026 54.840 -0.243 0.000 0.812 336 L CB 1.413 43.253 42.059 -0.365 0.000 1.223 336 L HN 0.452 nan 8.230 nan 0.000 0.421 337 V N 5.221 124.979 119.914 -0.259 0.000 2.378 337 V HA 0.371 4.491 4.120 -0.001 0.000 0.288 337 V C -0.603 175.395 176.094 -0.159 0.000 1.016 337 V CA -0.411 61.796 62.300 -0.156 0.000 0.840 337 V CB 1.303 33.111 31.823 -0.024 0.000 0.994 337 V HN 0.451 nan 8.190 nan 0.000 0.431 338 F N 4.518 124.482 119.950 0.023 0.000 2.391 338 F HA 0.441 4.968 4.527 -0.001 0.000 0.359 338 F C 0.754 176.545 175.800 -0.014 0.000 1.122 338 F CA -0.932 57.075 58.000 0.010 0.000 1.120 338 F CB 1.775 40.787 39.000 0.021 0.000 1.142 338 F HN 0.375 nan 8.300 nan 0.000 0.483 339 V N 1.054 121.073 119.914 0.176 0.000 2.940 339 V HA 0.764 4.884 4.120 -0.001 0.000 0.366 339 V C 0.315 176.555 176.094 0.244 0.000 1.353 339 V CA -0.148 62.174 62.300 0.038 0.000 1.232 339 V CB -0.030 31.708 31.823 -0.142 0.000 1.278 339 V HN 0.762 nan 8.190 nan 0.000 0.546 340 G N -0.835 108.138 108.800 0.288 0.000 2.761 340 G HA2 0.404 4.363 3.960 -0.001 0.000 0.296 340 G HA3 0.404 4.363 3.960 -0.001 0.000 0.296 340 G C -1.332 173.766 174.900 0.329 0.000 1.416 340 G CA -0.813 44.514 45.100 0.379 0.000 1.105 340 G HN 0.256 nan 8.290 nan 0.000 0.565 341 Y N 2.227 122.679 120.300 0.253 0.000 2.881 341 Y HA 0.126 4.676 4.550 -0.001 0.000 0.335 341 Y C 0.391 176.348 175.900 0.095 0.000 1.263 341 Y CA 0.605 58.820 58.100 0.192 0.000 1.572 341 Y CB 0.648 39.278 38.460 0.282 0.000 1.237 341 Y HN 0.397 nan 8.280 nan 0.000 0.568 342 Q N 8.403 127.912 119.800 -0.486 0.000 2.230 342 Q HA 0.320 4.659 4.340 -0.001 0.000 0.253 342 Q C -2.406 173.331 176.000 -0.439 0.000 0.919 342 Q CA -2.212 53.352 55.803 -0.397 0.000 0.908 342 Q CB 1.180 29.579 28.738 -0.564 0.000 1.245 342 Q HN 0.535 nan 8.270 nan 0.000 0.437 343 P HA -0.028 nan 4.420 nan 0.000 0.271 343 P C -0.327 176.935 177.300 -0.063 0.000 1.226 343 P CA -0.216 62.897 63.100 0.021 0.000 0.765 343 P CB 0.647 32.389 31.700 0.070 0.000 0.835 344 Q N 3.353 123.138 119.800 -0.024 0.000 2.304 344 Q HA 0.270 4.610 4.340 -0.001 0.000 0.301 344 Q C 0.854 176.840 176.000 -0.022 0.000 1.063 344 Q CA 1.538 57.319 55.803 -0.038 0.000 0.947 344 Q CB -0.600 28.144 28.738 0.011 0.000 1.201 344 Q HN 0.850 nan 8.270 nan 0.000 0.389 345 G N 2.426 111.206 108.800 -0.033 0.000 2.462 345 G HA2 0.156 4.116 3.960 -0.001 0.000 0.283 345 G HA3 0.156 4.116 3.960 -0.001 0.000 0.283 345 G C -0.002 174.886 174.900 -0.019 0.000 1.043 345 G CA 0.127 45.215 45.100 -0.020 0.000 1.300 345 G HN 1.115 nan 8.290 nan 0.000 0.518 346 G N -0.562 108.218 108.800 -0.032 0.000 2.523 346 G HA2 0.618 4.578 3.960 -0.001 0.000 0.291 346 G HA3 0.618 4.578 3.960 -0.001 0.000 0.291 346 G C 0.585 175.467 174.900 -0.030 0.000 1.450 346 G CA 0.037 45.122 45.100 -0.026 0.000 0.790 346 G HN 1.403 nan 8.290 nan 0.000 0.496 347 L N 1.094 122.308 121.223 -0.014 0.000 2.197 347 L HA 0.038 4.378 4.340 -0.001 0.000 0.215 347 L C 2.298 179.175 176.870 0.012 0.000 1.095 347 L CA 3.444 58.286 54.840 0.004 0.000 0.764 347 L CB -0.670 41.397 42.059 0.013 0.000 0.897 347 L HN 0.762 nan 8.230 nan 0.000 0.436 348 G N -1.382 107.385 108.800 -0.055 0.000 2.425 348 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.213 348 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.213 348 G C 1.570 176.352 174.900 -0.197 0.000 1.201 348 G CA 0.650 45.638 45.100 -0.187 0.000 0.799 348 G HN 0.605 nan 8.290 nan 0.000 0.534 349 A N 0.694 123.409 122.820 -0.175 0.000 1.933 349 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 349 A C 2.107 179.659 177.584 -0.052 0.000 1.175 349 A CA 2.082 54.039 52.037 -0.134 0.000 0.628 349 A CB -0.532 18.396 19.000 -0.120 0.000 0.814 349 A HN 0.509 nan 8.150 nan 0.000 0.444 350 E N 0.100 120.282 120.200 -0.030 0.000 2.021 350 E HA -0.237 4.112 4.350 -0.001 0.000 0.200 350 E C 1.838 178.449 176.600 0.018 0.000 1.015 350 E CA 1.835 58.233 56.400 -0.005 0.000 0.824 350 E CB -0.334 29.366 29.700 -0.001 0.000 0.762 350 E HN 0.632 nan 8.360 nan 0.000 0.454 351 I N 0.980 121.582 120.570 0.052 0.000 2.399 351 I HA -0.302 3.867 4.170 -0.001 0.000 0.254 351 I C 2.345 178.512 176.117 0.083 0.000 1.146 351 I CA 0.979 62.328 61.300 0.082 0.000 1.412 351 I CB -0.320 37.779 38.000 0.164 0.000 1.076 351 I HN 0.289 nan 8.210 nan 0.000 0.432 352 I N 0.715 121.337 120.570 0.086 0.000 2.439 352 I HA -0.192 3.977 4.170 -0.001 0.000 0.251 352 I C 2.681 178.814 176.117 0.026 0.000 1.139 352 I CA 0.975 62.316 61.300 0.068 0.000 1.438 352 I CB -0.453 37.566 38.000 0.033 0.000 1.085 352 I HN 0.145 nan 8.210 nan 0.000 0.427 353 A N 0.593 123.420 122.820 0.012 0.000 2.172 353 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 353 A C 1.402 178.987 177.584 0.003 0.000 1.154 353 A CA 0.492 52.531 52.037 0.004 0.000 0.701 353 A CB -0.350 18.649 19.000 -0.001 0.000 0.789 353 A HN 0.462 nan 8.150 nan 0.000 0.465 354 R N -1.215 119.289 120.500 0.005 0.000 3.209 354 R HA -0.111 4.229 4.340 -0.001 0.000 0.252 354 R C -2.387 173.909 176.300 -0.007 0.000 0.958 354 R CA 0.639 56.736 56.100 -0.005 0.000 0.651 354 R CB -2.276 28.016 30.300 -0.012 0.000 1.142 354 R HN 0.483 nan 8.270 nan 0.000 0.441 355 P HA 0.143 nan 4.420 nan 0.000 0.274 355 P C -1.791 175.504 177.300 -0.009 0.000 1.260 355 P CA -0.962 62.135 63.100 -0.006 0.000 0.793 355 P CB 0.531 32.229 31.700 -0.004 0.000 1.048 356 P HA -0.067 nan 4.420 nan 0.000 0.217 356 P C 0.444 177.737 177.300 -0.011 0.000 1.150 356 P CA 1.643 64.737 63.100 -0.010 0.000 0.832 356 P CB 0.131 31.826 31.700 -0.008 0.000 0.787 357 A N -1.691 121.123 122.820 -0.010 0.000 2.568 357 A HA 0.656 4.975 4.320 -0.001 0.000 0.291 357 A C -1.563 176.014 177.584 -0.011 0.000 1.159 357 A CA -0.466 51.564 52.037 -0.012 0.000 0.679 357 A CB 1.653 20.646 19.000 -0.012 0.000 1.285 357 A HN -0.144 nan 8.150 nan 0.000 0.428 358 V N 0.247 120.152 119.914 -0.014 0.000 2.851 358 V HA 0.471 4.590 4.120 -0.001 0.000 0.307 358 V C -0.209 175.874 176.094 -0.019 0.000 1.129 358 V CA -0.605 61.687 62.300 -0.013 0.000 0.932 358 V CB 1.910 33.728 31.823 -0.008 0.000 1.024 358 V HN 0.911 nan 8.190 nan 0.000 0.426 359 R N 3.392 123.882 120.500 -0.017 0.000 2.347 359 R HA 0.605 4.944 4.340 -0.001 0.000 0.304 359 R C -1.045 175.236 176.300 -0.031 0.000 1.072 359 R CA 0.072 56.159 56.100 -0.022 0.000 0.980 359 R CB 0.354 30.644 30.300 -0.017 0.000 0.986 359 R HN 0.656 nan 8.270 nan 0.000 0.448 360 I N 6.708 127.250 120.570 -0.046 0.000 2.517 360 I HA 0.110 4.280 4.170 -0.001 0.000 0.280 360 I C 0.001 176.068 176.117 -0.082 0.000 1.061 360 I CA -0.498 60.762 61.300 -0.068 0.000 1.091 360 I CB 1.403 39.351 38.000 -0.087 0.000 1.205 360 I HN 0.756 nan 8.210 nan 0.000 0.459 361 L N 5.493 126.671 121.223 -0.074 0.000 4.140 361 L HA -0.202 4.137 4.340 -0.001 0.000 0.406 361 L C 0.927 177.775 176.870 -0.036 0.000 1.175 361 L CA 0.662 55.461 54.840 -0.068 0.000 0.939 361 L CB -1.881 40.117 42.059 -0.102 0.000 2.105 361 L HN 1.091 nan 8.230 nan 0.000 0.803 362 G N 0.655 109.437 108.800 -0.029 0.000 2.298 362 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.287 362 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.287 362 G C 0.055 174.946 174.900 -0.014 0.000 1.075 362 G CA 0.766 45.857 45.100 -0.016 0.000 0.960 362 G HN 0.647 nan 8.290 nan 0.000 0.502 363 E N -0.158 120.029 120.200 -0.022 0.000 3.957 363 E HA 0.195 4.545 4.350 -0.001 0.000 0.172 363 E C 0.280 176.865 176.600 -0.024 0.000 1.032 363 E CA -0.279 56.110 56.400 -0.018 0.000 1.491 363 E CB -0.222 29.465 29.700 -0.021 0.000 1.151 363 E HN 0.530 nan 8.360 nan 0.000 0.410 364 E N 0.737 120.925 120.200 -0.021 0.000 3.471 364 E HA -0.074 4.276 4.350 -0.001 0.000 0.240 364 E C 0.144 176.732 176.600 -0.019 0.000 0.916 364 E CA 0.855 57.243 56.400 -0.020 0.000 0.943 364 E CB 0.152 29.845 29.700 -0.013 0.000 0.889 364 E HN 0.310 nan 8.360 nan 0.000 0.575 365 V N 1.820 121.718 119.914 -0.026 0.000 3.096 365 V HA 0.687 4.806 4.120 -0.001 0.000 0.319 365 V C -2.447 173.636 176.094 -0.019 0.000 1.103 365 V CA -2.559 59.728 62.300 -0.022 0.000 1.016 365 V CB 1.540 33.342 31.823 -0.034 0.000 1.090 365 V HN 0.403 nan 8.190 nan 0.000 0.449 366 P HA 0.284 nan 4.420 nan 0.000 0.272 366 P C -0.720 176.568 177.300 -0.020 0.000 1.230 366 P CA -0.139 62.952 63.100 -0.015 0.000 0.788 366 P CB 0.378 32.072 31.700 -0.011 0.000 0.949 367 L N 2.410 123.620 121.223 -0.021 0.000 2.843 367 L HA 0.294 4.633 4.340 -0.001 0.000 0.234 367 L C 0.999 177.849 176.870 -0.032 0.000 1.264 367 L CA 0.367 55.190 54.840 -0.028 0.000 1.052 367 L CB -0.593 41.452 42.059 -0.024 0.000 1.372 367 L HN 0.203 nan 8.230 nan 0.000 0.466 368 R N 1.286 121.767 120.500 -0.031 0.000 2.112 368 R HA 0.344 4.683 4.340 -0.001 0.000 0.216 368 R C 0.901 177.175 176.300 -0.044 0.000 1.080 368 R CA 0.550 56.631 56.100 -0.032 0.000 0.996 368 R CB 0.034 30.320 30.300 -0.022 0.000 0.902 368 R HN 0.561 nan 8.270 nan 0.000 0.449 369 A N 2.547 125.338 122.820 -0.049 0.000 2.545 369 A HA 0.047 4.366 4.320 -0.001 0.000 0.253 369 A C 0.361 177.883 177.584 -0.104 0.000 1.074 369 A CA 0.030 52.029 52.037 -0.064 0.000 0.760 369 A CB -0.025 18.937 19.000 -0.062 0.000 1.005 369 A HN 0.383 nan 8.150 nan 0.000 0.506 370 S N 2.434 118.064 115.700 -0.116 0.000 2.555 370 S HA 0.295 4.764 4.470 -0.001 0.000 0.293 370 S C 0.035 174.392 174.600 -0.405 0.000 1.248 370 S CA -0.625 57.440 58.200 -0.225 0.000 1.096 370 S CB 0.054 63.156 63.200 -0.164 0.000 0.881 370 S HN 0.654 nan 8.310 nan 0.000 0.498 371 V N 5.415 125.081 119.914 -0.413 0.000 2.509 371 V HA 0.370 4.489 4.120 -0.001 0.000 0.284 371 V C 0.272 176.036 176.094 -0.551 0.000 1.047 371 V CA -0.477 61.586 62.300 -0.395 0.000 0.952 371 V CB 0.556 32.269 31.823 -0.184 0.000 0.988 371 V HN 0.877 nan 8.190 nan 0.000 0.469 372 H N 1.854 120.863 119.070 -0.103 0.000 2.690 372 H HA 0.587 5.142 4.556 -0.001 0.000 0.368 372 H C -0.704 174.653 175.328 0.048 0.000 1.150 372 H CA -0.505 55.523 56.048 -0.033 0.000 1.174 372 H CB 2.441 32.163 29.762 -0.067 0.000 1.684 372 H HN 0.564 nan 8.280 nan 0.000 0.538 373 T N 3.252 117.947 114.554 0.234 0.000 2.881 373 T HA 0.422 4.772 4.350 -0.001 0.000 0.290 373 T C -0.031 174.780 174.700 0.185 0.000 1.000 373 T CA -0.703 61.550 62.100 0.255 0.000 0.978 373 T CB 0.967 69.976 68.868 0.235 0.000 0.997 373 T HN 0.266 nan 8.240 nan 0.000 0.443 374 L N 2.680 124.003 121.223 0.166 0.000 2.353 374 L HA 0.505 4.845 4.340 -0.001 0.000 0.270 374 L C 1.243 178.237 176.870 0.207 0.000 1.003 374 L CA -0.848 54.074 54.840 0.136 0.000 0.862 374 L CB 1.283 43.327 42.059 -0.025 0.000 1.221 374 L HN 0.893 nan 8.230 nan 0.000 0.430 375 G N 1.075 110.014 108.800 0.232 0.000 3.327 375 G HA2 0.184 4.144 3.960 -0.001 0.000 0.240 375 G HA3 0.184 4.144 3.960 -0.001 0.000 0.240 375 G C 0.976 176.034 174.900 0.264 0.000 1.222 375 G CA 0.550 45.821 45.100 0.285 0.000 0.871 375 G HN 0.787 nan 8.290 nan 0.000 0.525 376 G N 0.086 109.048 108.800 0.271 0.000 2.673 376 G HA2 0.095 4.055 3.960 -0.001 0.000 0.208 376 G HA3 0.095 4.055 3.960 -0.001 0.000 0.208 376 G C 0.942 175.970 174.900 0.214 0.000 1.128 376 G CA -0.148 45.085 45.100 0.223 0.000 0.805 376 G HN 0.257 nan 8.290 nan 0.000 0.526 377 F N 2.329 122.308 119.950 0.049 0.000 2.788 377 F HA 0.260 4.787 4.527 -0.001 0.000 0.300 377 F C 1.715 177.530 175.800 0.025 0.000 1.229 377 F CA -0.622 57.423 58.000 0.075 0.000 1.446 377 F CB -0.327 38.715 39.000 0.069 0.000 1.118 377 F HN -0.024 nan 8.300 nan 0.000 0.579 378 S N 0.121 115.836 115.700 0.024 0.000 2.516 378 S HA 0.263 4.732 4.470 -0.001 0.000 0.282 378 S C 1.553 176.083 174.600 -0.117 0.000 1.286 378 S CA 0.030 58.180 58.200 -0.083 0.000 1.066 378 S CB 0.799 63.725 63.200 -0.457 0.000 0.884 378 S HN 0.430 nan 8.310 nan 0.000 0.491 379 G N 3.924 112.758 108.800 0.057 0.000 2.848 379 G HA2 0.062 4.021 3.960 -0.001 0.000 0.208 379 G HA3 0.062 4.021 3.960 -0.001 0.000 0.208 379 G C 0.549 175.465 174.900 0.027 0.000 1.152 379 G CA 0.085 45.177 45.100 -0.013 0.000 0.789 379 G HN 0.809 nan 8.290 nan 0.000 0.531 380 H N -0.281 118.811 119.070 0.037 0.000 2.525 380 H HA 0.529 5.085 4.556 -0.001 0.000 0.340 380 H C -0.022 175.345 175.328 0.066 0.000 1.168 380 H CA -0.468 55.627 56.048 0.078 0.000 1.247 380 H CB 1.893 31.747 29.762 0.154 0.000 1.568 380 H HN 0.138 nan 8.280 nan 0.000 0.536 381 A N 1.543 124.449 122.820 0.144 0.000 2.388 381 A HA 0.428 4.748 4.320 -0.001 0.000 0.257 381 A C 0.791 178.455 177.584 0.132 0.000 1.095 381 A CA 0.107 52.207 52.037 0.103 0.000 0.791 381 A CB 0.129 19.100 19.000 -0.048 0.000 1.029 381 A HN 0.761 nan 8.150 nan 0.000 0.489 382 G N -0.256 108.595 108.800 0.086 0.000 2.537 382 G HA2 0.353 4.313 3.960 -0.001 0.000 0.273 382 G HA3 0.353 4.313 3.960 -0.001 0.000 0.273 382 G C 0.662 175.540 174.900 -0.036 0.000 1.189 382 G CA 0.197 45.168 45.100 -0.215 0.000 0.881 382 G HN 0.950 nan 8.290 nan 0.000 0.535 383 Q N -0.047 119.737 119.800 -0.027 0.000 2.082 383 Q HA -0.291 4.049 4.340 -0.001 0.000 0.211 383 Q C 2.089 178.110 176.000 0.035 0.000 1.002 383 Q CA 2.711 58.528 55.803 0.023 0.000 0.868 383 Q CB -0.202 28.550 28.738 0.024 0.000 0.931 383 Q HN 0.760 nan 8.270 nan 0.000 0.414 384 D N -0.357 120.062 120.400 0.032 0.000 2.123 384 D HA -0.227 4.413 4.640 -0.001 0.000 0.196 384 D C 1.443 177.778 176.300 0.058 0.000 0.992 384 D CA 1.903 55.931 54.000 0.046 0.000 0.833 384 D CB -0.583 40.246 40.800 0.048 0.000 0.954 384 D HN 0.532 nan 8.370 nan 0.000 0.455 385 E N -0.315 119.919 120.200 0.056 0.000 2.046 385 E HA -0.053 4.297 4.350 -0.001 0.000 0.190 385 E C 2.162 178.813 176.600 0.085 0.000 0.982 385 E CA 0.275 56.713 56.400 0.063 0.000 0.800 385 E CB -0.121 29.606 29.700 0.044 0.000 0.756 385 E HN 0.090 nan 8.360 nan 0.000 0.449 386 L N 0.764 122.026 121.223 0.065 0.000 2.187 386 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 386 L C 2.015 178.972 176.870 0.146 0.000 1.100 386 L CA 1.425 56.320 54.840 0.092 0.000 0.765 386 L CB -0.335 41.764 42.059 0.067 0.000 0.904 386 L HN 0.168 nan 8.230 nan 0.000 0.437 387 L N -1.629 119.658 121.223 0.106 0.000 2.023 387 L HA -0.154 4.186 4.340 -0.001 0.000 0.205 387 L C 2.228 179.159 176.870 0.101 0.000 1.073 387 L CA 0.940 55.834 54.840 0.091 0.000 0.745 387 L CB -0.718 41.379 42.059 0.062 0.000 0.900 387 L HN 0.160 nan 8.230 nan 0.000 0.435 388 D N -0.486 119.977 120.400 0.104 0.000 2.133 388 D HA -0.262 4.378 4.640 -0.001 0.000 0.192 388 D C 1.708 178.088 176.300 0.133 0.000 1.001 388 D CA 1.332 55.392 54.000 0.100 0.000 0.844 388 D CB -0.249 40.611 40.800 0.100 0.000 0.944 388 D HN 0.319 nan 8.370 nan 0.000 0.447 389 W N 0.857 122.137 121.300 -0.034 0.000 2.315 389 W HA -0.178 4.482 4.660 0.000 0.000 0.323 389 W C 1.959 178.440 176.519 -0.064 0.000 1.233 389 W CA 0.902 58.208 57.345 -0.065 0.000 1.267 389 W CB -0.680 28.726 29.460 -0.090 0.000 1.160 389 W HN -0.047 nan 8.180 nan 0.000 0.474 390 L N 0.989 122.280 121.223 0.113 0.000 2.642 390 L HA -0.086 4.253 4.340 -0.001 0.000 0.236 390 L C 1.396 178.225 176.870 -0.068 0.000 1.169 390 L CA 1.132 55.957 54.840 -0.025 0.000 0.851 390 L CB -1.864 40.242 42.059 0.077 0.000 0.968 390 L HN -0.021 nan 8.230 nan 0.000 0.453 391 Q N 0.533 120.302 119.800 -0.051 0.000 2.263 391 Q HA 0.179 4.518 4.340 -0.001 0.000 0.289 391 Q C 1.323 177.276 176.000 -0.078 0.000 1.061 391 Q CA 1.179 56.955 55.803 -0.045 0.000 0.927 391 Q CB 0.348 29.071 28.738 -0.025 0.000 1.154 391 Q HN 0.483 nan 8.270 nan 0.000 0.378 392 G N 4.284 113.050 108.800 -0.057 0.000 2.284 392 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.230 392 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.230 392 G C -0.238 174.622 174.900 -0.067 0.000 1.021 392 G CA 0.083 45.147 45.100 -0.061 0.000 0.619 392 G HN 0.595 nan 8.290 nan 0.000 0.510 393 E N 2.052 122.201 120.200 -0.086 0.000 2.351 393 E HA 0.227 4.576 4.350 -0.001 0.000 0.266 393 E C -0.804 175.770 176.600 -0.044 0.000 1.031 393 E CA -0.958 55.394 56.400 -0.081 0.000 0.911 393 E CB 1.545 31.180 29.700 -0.109 0.000 0.986 393 E HN 0.366 nan 8.360 nan 0.000 0.446 394 P HA -0.131 nan 4.420 nan 0.000 0.214 394 P C 0.454 177.746 177.300 -0.012 0.000 1.162 394 P CA 1.103 64.191 63.100 -0.020 0.000 0.879 394 P CB 0.768 32.456 31.700 -0.019 0.000 0.786 395 R N -0.546 119.948 120.500 -0.010 0.000 2.740 395 R HA 0.595 4.934 4.340 -0.001 0.000 0.282 395 R C -1.470 174.834 176.300 0.007 0.000 0.969 395 R CA -0.691 55.409 56.100 -0.001 0.000 0.918 395 R CB 2.248 32.548 30.300 0.000 0.000 1.175 395 R HN -0.133 nan 8.270 nan 0.000 0.464 396 V N 2.199 122.124 119.914 0.017 0.000 3.188 396 V HA 0.516 4.635 4.120 -0.001 0.000 0.305 396 V C -1.177 174.940 176.094 0.039 0.000 1.232 396 V CA -0.771 61.550 62.300 0.036 0.000 1.043 396 V CB 2.683 34.533 31.823 0.045 0.000 1.068 396 V HN 0.514 nan 8.190 nan 0.000 0.439 397 V N 3.399 123.347 119.914 0.056 0.000 2.509 397 V HA 0.380 4.500 4.120 -0.001 0.000 0.289 397 V C -0.833 175.302 176.094 0.068 0.000 1.026 397 V CA -0.395 61.932 62.300 0.045 0.000 0.872 397 V CB 1.456 33.293 31.823 0.024 0.000 1.017 397 V HN 0.611 nan 8.190 nan 0.000 0.436 398 L N 5.965 127.224 121.223 0.060 0.000 2.426 398 L HA 0.667 5.006 4.340 -0.001 0.000 0.271 398 L C 0.235 177.146 176.870 0.068 0.000 1.169 398 L CA 0.609 55.493 54.840 0.074 0.000 0.836 398 L CB 1.331 43.425 42.059 0.057 0.000 1.112 398 L HN 0.638 nan 8.230 nan 0.000 0.465 399 V N -0.733 119.243 119.914 0.104 0.000 3.226 399 V HA 0.711 4.830 4.120 -0.001 0.000 0.304 399 V C -0.372 175.807 176.094 0.141 0.000 1.336 399 V CA -1.474 60.892 62.300 0.110 0.000 1.066 399 V CB 1.830 33.733 31.823 0.133 0.000 1.087 399 V HN 0.379 nan 8.190 nan 0.000 0.451 400 V N 0.616 120.615 119.914 0.141 0.000 4.190 400 V HA 0.300 4.419 4.120 -0.001 0.000 0.437 400 V C 0.583 176.713 176.094 0.060 0.000 0.680 400 V CA 1.608 63.984 62.300 0.127 0.000 1.799 400 V CB -1.511 30.430 31.823 0.197 0.000 2.188 400 V HN 2.733 nan 8.190 nan 0.000 0.488 401 G N 3.554 112.369 108.800 0.025 0.000 2.347 401 G HA2 0.337 4.297 3.960 -0.001 0.000 0.321 401 G HA3 0.337 4.297 3.960 -0.001 0.000 0.321 401 G C -0.984 173.906 174.900 -0.017 0.000 1.412 401 G CA -0.436 44.645 45.100 -0.031 0.000 0.990 401 G HN 0.723 nan 8.290 nan 0.000 0.637 402 E N 0.111 120.284 120.200 -0.046 0.000 2.366 402 E HA 0.268 4.617 4.350 -0.001 0.000 0.266 402 E C 1.046 177.637 176.600 -0.015 0.000 1.051 402 E CA -0.178 56.208 56.400 -0.024 0.000 0.884 402 E CB 1.547 31.226 29.700 -0.035 0.000 1.006 402 E HN 0.588 nan 8.360 nan 0.000 0.417 403 E N 1.906 122.104 120.200 -0.002 0.000 2.049 403 E HA -0.289 4.061 4.350 -0.001 0.000 0.198 403 E C 1.526 178.123 176.600 -0.005 0.000 1.007 403 E CA 1.663 58.064 56.400 0.001 0.000 0.809 403 E CB 0.021 29.723 29.700 0.004 0.000 0.749 403 E HN 0.431 nan 8.360 nan 0.000 0.450 404 E N 0.846 121.041 120.200 -0.009 0.000 2.097 404 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 404 E C 1.899 178.489 176.600 -0.017 0.000 1.000 404 E CA 1.183 57.577 56.400 -0.010 0.000 0.804 404 E CB -0.020 29.674 29.700 -0.010 0.000 0.740 404 E HN 0.085 nan 8.360 nan 0.000 0.454 405 K N 0.010 120.390 120.400 -0.032 0.000 2.001 405 K HA -0.075 4.245 4.320 -0.001 0.000 0.208 405 K C 2.085 178.670 176.600 -0.025 0.000 1.048 405 K CA 0.779 57.037 56.287 -0.049 0.000 0.932 405 K CB -0.567 31.875 32.500 -0.097 0.000 0.715 405 K HN 0.103 nan 8.250 nan 0.000 0.437 406 L N 1.318 122.533 121.223 -0.014 0.000 1.976 406 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 406 L C 2.420 179.296 176.870 0.010 0.000 1.071 406 L CA 1.371 56.215 54.840 0.006 0.000 0.746 406 L CB -1.243 40.824 42.059 0.014 0.000 0.890 406 L HN 0.087 nan 8.230 nan 0.000 0.432 407 L N -0.538 120.689 121.223 0.007 0.000 2.051 407 L HA -0.300 4.040 4.340 -0.001 0.000 0.214 407 L C 2.638 179.514 176.870 0.009 0.000 1.076 407 L CA 2.147 56.992 54.840 0.008 0.000 0.758 407 L CB -1.839 40.223 42.059 0.005 0.000 0.890 407 L HN 0.362 nan 8.230 nan 0.000 0.433 408 A N -0.066 122.757 122.820 0.005 0.000 1.849 408 A HA -0.283 4.036 4.320 -0.001 0.000 0.216 408 A C 2.396 179.988 177.584 0.013 0.000 1.225 408 A CA 2.138 54.179 52.037 0.007 0.000 0.653 408 A CB -1.194 17.807 19.000 0.001 0.000 0.844 408 A HN 0.403 nan 8.150 nan 0.000 0.453 409 L N -0.650 120.583 121.223 0.016 0.000 2.089 409 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 409 L C 2.528 179.414 176.870 0.027 0.000 1.079 409 L CA 1.807 56.662 54.840 0.025 0.000 0.758 409 L CB -0.879 41.199 42.059 0.032 0.000 0.891 409 L HN 0.556 nan 8.230 nan 0.000 0.433 410 G N -0.185 108.630 108.800 0.024 0.000 2.599 410 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.219 410 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.219 410 G C 1.598 176.510 174.900 0.020 0.000 1.193 410 G CA 1.264 46.378 45.100 0.023 0.000 0.778 410 G HN 0.413 nan 8.290 nan 0.000 0.589 411 K N -0.095 120.315 120.400 0.017 0.000 2.074 411 K HA -0.001 4.318 4.320 -0.001 0.000 0.209 411 K C 2.627 179.237 176.600 0.017 0.000 1.048 411 K CA 1.066 57.362 56.287 0.015 0.000 0.926 411 K CB -0.287 32.221 32.500 0.013 0.000 0.713 411 K HN 0.370 nan 8.250 nan 0.000 0.444 412 L N 0.791 122.026 121.223 0.020 0.000 2.079 412 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 412 L C 2.324 179.208 176.870 0.022 0.000 1.081 412 L CA 1.085 55.938 54.840 0.022 0.000 0.752 412 L CB -0.285 41.789 42.059 0.026 0.000 0.896 412 L HN 0.262 nan 8.230 nan 0.000 0.433 413 L N -0.973 120.264 121.223 0.024 0.000 2.056 413 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 413 L C 2.873 179.753 176.870 0.017 0.000 1.078 413 L CA 0.995 55.849 54.840 0.024 0.000 0.749 413 L CB -0.763 41.313 42.059 0.029 0.000 0.901 413 L HN 0.215 nan 8.230 nan 0.000 0.433 414 A N 0.617 123.446 122.820 0.016 0.000 1.873 414 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 414 A C 2.245 179.835 177.584 0.010 0.000 1.193 414 A CA 1.673 53.717 52.037 0.012 0.000 0.629 414 A CB -0.934 18.072 19.000 0.011 0.000 0.826 414 A HN 0.370 nan 8.150 nan 0.000 0.447 415 L N -1.336 119.894 121.223 0.012 0.000 2.129 415 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 415 L C 2.730 179.605 176.870 0.010 0.000 1.087 415 L CA 1.839 56.686 54.840 0.011 0.000 0.757 415 L CB -0.441 41.626 42.059 0.013 0.000 0.896 415 L HN 0.455 nan 8.230 nan 0.000 0.434 416 R N 0.077 120.584 120.500 0.011 0.000 2.275 416 R HA 0.006 4.345 4.340 -0.001 0.000 0.199 416 R C 1.114 177.417 176.300 0.005 0.000 0.989 416 R CA 0.745 56.850 56.100 0.009 0.000 1.016 416 R CB 0.209 30.516 30.300 0.011 0.000 0.918 416 R HN 0.392 nan 8.270 nan 0.000 0.473 417 G N 0.480 109.283 108.800 0.005 0.000 2.131 417 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.201 417 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.201 417 G C -0.557 174.344 174.900 0.001 0.000 1.000 417 G CA -0.288 44.814 45.100 0.003 0.000 0.680 417 G HN 0.394 nan 8.290 nan 0.000 0.514 418 Q N 0.326 120.129 119.800 0.004 0.000 2.331 418 Q HA 0.370 4.710 4.340 -0.001 0.000 0.257 418 Q C 0.104 176.107 176.000 0.006 0.000 0.957 418 Q CA -0.486 55.319 55.803 0.003 0.000 0.923 418 Q CB 1.518 30.259 28.738 0.005 0.000 1.212 418 Q HN 0.471 nan 8.270 nan 0.000 0.443 419 E N 3.019 123.220 120.200 0.003 0.000 2.271 419 E HA 0.063 4.413 4.350 -0.001 0.000 0.255 419 E C -1.171 175.434 176.600 0.008 0.000 1.177 419 E CA -0.068 56.334 56.400 0.004 0.000 0.946 419 E CB 0.455 30.156 29.700 0.001 0.000 1.009 419 E HN 0.279 nan 8.360 nan 0.000 0.451 420 V N 3.660 123.581 119.914 0.011 0.000 2.960 420 V HA 0.737 4.857 4.120 -0.001 0.000 0.315 420 V C -0.848 175.254 176.094 0.014 0.000 1.087 420 V CA 0.101 62.411 62.300 0.017 0.000 0.982 420 V CB 2.279 34.116 31.823 0.023 0.000 1.039 420 V HN 0.795 nan 8.190 nan 0.000 0.437 421 S N 4.558 120.268 115.700 0.016 0.000 2.615 421 S HA 0.672 5.142 4.470 -0.001 0.000 0.268 421 S C -1.702 172.905 174.600 0.012 0.000 1.146 421 S CA -0.820 57.386 58.200 0.010 0.000 0.818 421 S CB 1.229 64.431 63.200 0.004 0.000 1.111 421 S HN 0.689 nan 8.310 nan 0.000 0.465 422 L N 1.558 122.786 121.223 0.008 0.000 2.343 422 L HA 0.794 5.134 4.340 -0.001 0.000 0.275 422 L C 0.643 177.509 176.870 -0.007 0.000 1.056 422 L CA -0.260 54.585 54.840 0.007 0.000 0.804 422 L CB 1.204 43.270 42.059 0.011 0.000 1.203 422 L HN 1.053 nan 8.230 nan 0.000 0.440 423 A N 3.566 126.377 122.820 -0.016 0.000 2.362 423 A HA 0.605 4.924 4.320 -0.001 0.000 0.276 423 A C -0.062 177.500 177.584 -0.037 0.000 1.153 423 A CA -0.402 51.604 52.037 -0.052 0.000 0.813 423 A CB -0.032 18.908 19.000 -0.099 0.000 1.081 423 A HN 0.700 nan 8.150 nan 0.000 0.507 424 R N 1.679 122.154 120.500 -0.042 0.000 2.393 424 R HA 0.334 4.674 4.340 -0.001 0.000 0.310 424 R C -0.566 175.733 176.300 -0.002 0.000 0.968 424 R CA -0.507 55.595 56.100 0.004 0.000 0.867 424 R CB 1.360 31.663 30.300 0.004 0.000 1.124 424 R HN 0.732 nan 8.270 nan 0.000 0.450 425 F N 1.860 121.763 119.950 -0.079 0.000 2.623 425 F HA -0.067 4.460 4.527 -0.001 0.000 0.381 425 F C 1.572 177.271 175.800 -0.170 0.000 1.081 425 F CA 2.157 60.099 58.000 -0.096 0.000 1.293 425 F CB 0.528 39.516 39.000 -0.019 0.000 1.006 425 F HN 0.903 nan 8.300 nan 0.000 0.578 426 G N 3.477 111.898 108.800 -0.631 0.000 2.238 426 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.270 426 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.270 426 G C 0.209 174.918 174.900 -0.318 0.000 0.977 426 G CA 0.563 45.347 45.100 -0.527 0.000 0.639 426 G HN 0.698 nan 8.290 nan 0.000 0.544 427 E N 1.323 121.391 120.200 -0.220 0.000 2.052 427 E HA 0.460 4.810 4.350 -0.001 0.000 0.283 427 E C 1.272 177.770 176.600 -0.170 0.000 1.071 427 E CA -0.053 56.262 56.400 -0.141 0.000 0.851 427 E CB 0.610 30.265 29.700 -0.075 0.000 1.066 427 E HN 0.400 nan 8.360 nan 0.000 0.396 428 G N 1.826 110.540 108.800 -0.143 0.000 2.750 428 G HA2 0.225 4.184 3.960 -0.001 0.000 0.250 428 G HA3 0.225 4.184 3.960 -0.001 0.000 0.250 428 G C -0.374 174.472 174.900 -0.090 0.000 1.230 428 G CA -0.238 44.789 45.100 -0.122 0.000 0.883 428 G HN 0.364 nan 8.290 nan 0.000 0.573 429 V N 2.274 122.144 119.914 -0.074 0.000 2.752 429 V HA 0.345 4.465 4.120 -0.001 0.000 0.302 429 V C -2.107 173.966 176.094 -0.035 0.000 1.133 429 V CA -1.049 61.221 62.300 -0.051 0.000 0.919 429 V CB 2.452 34.243 31.823 -0.053 0.000 1.026 429 V HN 0.772 nan 8.190 nan 0.000 0.429 430 P HA 0.389 nan 4.420 nan 0.000 0.274 430 P C -0.762 176.532 177.300 -0.009 0.000 1.246 430 P CA 0.021 63.112 63.100 -0.015 0.000 0.795 430 P CB 1.743 33.435 31.700 -0.012 0.000 1.006 431 V N 0.000 119.911 119.914 -0.005 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 431 V CA 0.000 62.301 62.300 0.002 0.000 1.235 431 V CB 0.000 31.828 31.823 0.008 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556