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 3k2w_1_D DATA FIRST_RESID 5 DATA SEQUENCE DLHFKNKVNF IGGQYVPSNE SDTIDILSPS TGKVIGEIPA GCKADAENAL DATA SEQUENCE EVAQAAQKAW AKLTARTRQN MLRTFANKIR ENKHILAPML VAEQGKLLSV DATA SEQUENCE AEMEVDVTAT FIDYGCDNAL TIEGDILPSD NQDEKIYIHK VPRGVVVGIT DATA SEQUENCE AWNFPLALAG RKIGPALITG NTMVLKPTQE TPLATTELGR IAKEAGLPDG DATA SEQUENCE VLNVINGTGS VVGQTLCESP ITKMITMTGS TVAGKQIYKT SAEYMTPVML DATA SEQUENCE ELGGKAPMVV MDDADLDKAA EDALWGRFAN CGQVCTCVER LYVHASVYDE DATA SEQUENCE FMAKFLPLVK GLKVGDPMDA DSQMGPKCNQ REIDNIDHIV HEAIKQGATV DATA SEQUENCE ATGGKTATVE GFEGGCWYEP TVLVDVKQDN IVVHEETFGP ILPIVKVSSM DATA SEQUENCE EQAIEFCNDS IYGLSAYVHT QSFANINQAI SDLEVGEVYI NRGMGEQHQG DATA SEQUENCE FHNGWKQSGF GGEDGKFGLE QYLEKKTVYI NEA 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.291 176.300 -0.015 0.000 2.045 5 D CA 0.000 54.000 54.000 -0.001 0.000 0.868 5 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 6 L N 3.224 124.354 121.223 -0.155 0.000 2.372 6 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 6 L C -0.450 176.207 176.870 -0.355 0.000 0.988 6 L CA -0.837 53.825 54.840 -0.297 0.000 0.833 6 L CB 1.685 43.370 42.059 -0.623 0.000 1.236 6 L HN 0.494 nan 8.230 nan 0.000 0.410 7 H N 3.467 122.349 119.070 -0.313 0.000 3.981 7 H HA 0.121 4.677 4.556 -0.000 0.000 0.208 7 H C -0.384 174.858 175.328 -0.143 0.000 1.611 7 H CA -0.461 55.478 56.048 -0.181 0.000 1.470 7 H CB -1.052 28.645 29.762 -0.109 0.000 1.777 7 H HN 0.191 nan 8.280 nan 0.000 0.727 8 F N 1.036 121.016 119.950 0.050 0.000 2.642 8 F HA -0.062 4.465 4.527 -0.000 0.000 0.371 8 F C 1.223 177.005 175.800 -0.030 0.000 1.120 8 F CA 0.212 58.218 58.000 0.009 0.000 1.331 8 F CB 0.567 39.571 39.000 0.007 0.000 1.044 8 F HN 0.109 nan 8.300 nan 0.000 0.594 9 K N 3.611 124.104 120.400 0.155 0.000 2.219 9 K HA 0.150 4.470 4.320 -0.000 0.000 0.280 9 K C -0.475 176.153 176.600 0.046 0.000 1.104 9 K CA -0.266 56.011 56.287 -0.016 0.000 0.925 9 K CB -0.145 32.246 32.500 -0.182 0.000 1.261 9 K HN 0.470 nan 8.250 nan 0.000 0.445 10 N N 2.051 120.775 118.700 0.040 0.000 2.479 10 N HA 0.101 4.841 4.740 -0.000 0.000 0.285 10 N C -0.029 175.503 175.510 0.038 0.000 1.075 10 N CA -0.252 52.822 53.050 0.039 0.000 0.967 10 N CB 1.006 39.515 38.487 0.036 0.000 1.137 10 N HN 0.318 nan 8.380 nan 0.000 0.472 11 K N -1.460 118.964 120.400 0.039 0.000 3.117 11 K HA -0.165 4.155 4.320 -0.000 0.000 0.269 11 K C -0.685 175.955 176.600 0.066 0.000 1.098 11 K CA 0.376 56.688 56.287 0.042 0.000 0.785 11 K CB -1.778 30.739 32.500 0.029 0.000 1.242 11 K HN 0.438 nan 8.250 nan 0.000 0.491 12 V N -2.849 117.125 119.914 0.100 0.000 3.049 12 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 12 V C -0.214 175.998 176.094 0.196 0.000 1.148 12 V CA -1.303 61.093 62.300 0.160 0.000 0.990 12 V CB 2.232 34.199 31.823 0.239 0.000 1.039 12 V HN 0.102 nan 8.190 nan 0.000 0.430 13 N N 1.000 119.804 118.700 0.174 0.000 2.485 13 N HA 0.596 5.336 4.740 -0.000 0.000 0.280 13 N C -1.432 174.186 175.510 0.180 0.000 1.205 13 N CA -0.386 52.759 53.050 0.159 0.000 0.959 13 N CB 2.183 40.713 38.487 0.071 0.000 1.206 13 N HN 0.872 nan 8.380 nan 0.000 0.545 14 F N 1.377 121.290 119.950 -0.063 0.000 2.347 14 F HA 0.566 5.093 4.527 -0.000 0.000 0.366 14 F C -0.869 174.818 175.800 -0.188 0.000 1.107 14 F CA -0.582 57.250 58.000 -0.281 0.000 1.058 14 F CB 0.298 39.017 39.000 -0.469 0.000 1.236 14 F HN 0.257 nan 8.300 nan 0.000 0.456 15 I N 4.920 125.130 120.570 -0.600 0.000 2.569 15 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 15 I C 0.488 176.291 176.117 -0.524 0.000 1.088 15 I CA -0.839 60.220 61.300 -0.402 0.000 1.047 15 I CB 2.129 40.011 38.000 -0.197 0.000 1.237 15 I HN 0.748 nan 8.210 nan 0.000 0.421 16 G N 3.839 112.391 108.800 -0.412 0.000 2.198 16 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.260 16 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.260 16 G C 0.962 175.633 174.900 -0.381 0.000 1.025 16 G CA 0.489 45.400 45.100 -0.314 0.000 0.769 16 G HN 1.722 nan 8.290 nan 0.000 0.507 17 G N -2.376 106.051 108.800 -0.623 0.000 2.176 17 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.253 17 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.253 17 G C 0.132 174.630 174.900 -0.670 0.000 0.979 17 G CA 1.121 45.924 45.100 -0.496 0.000 0.641 17 G HN 1.412 nan 8.290 nan 0.000 0.530 18 Q N -0.610 118.642 119.800 -0.913 0.000 2.394 18 Q HA 0.567 4.907 4.340 -0.000 0.000 0.273 18 Q C -1.088 174.569 176.000 -0.571 0.000 1.089 18 Q CA -0.991 54.509 55.803 -0.506 0.000 0.812 18 Q CB 1.309 29.908 28.738 -0.231 0.000 1.353 18 Q HN 0.288 nan 8.270 nan 0.000 0.438 19 Y N 0.913 121.184 120.300 -0.048 0.000 2.539 19 Y HA 0.275 4.825 4.550 0.000 0.000 0.352 19 Y C 0.584 176.485 175.900 0.001 0.000 1.004 19 Y CA -0.416 57.722 58.100 0.064 0.000 1.278 19 Y CB 0.466 39.024 38.460 0.164 0.000 1.136 19 Y HN 0.248 nan 8.280 nan 0.000 0.528 20 V N 3.037 123.007 119.914 0.094 0.000 2.769 20 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 20 V C -2.553 173.580 176.094 0.066 0.000 1.058 20 V CA -3.041 59.285 62.300 0.044 0.000 0.952 20 V CB 1.834 33.641 31.823 -0.027 0.000 1.019 20 V HN 0.407 nan 8.190 nan 0.000 0.445 21 P HA 0.224 nan 4.420 nan 0.000 0.276 21 P C -0.033 177.284 177.300 0.029 0.000 1.252 21 P CA -0.056 63.070 63.100 0.043 0.000 0.802 21 P CB 1.227 32.946 31.700 0.032 0.000 1.035 22 S N 0.884 116.602 115.700 0.030 0.000 2.573 22 S HA 0.018 4.488 4.470 -0.000 0.000 0.277 22 S C 1.442 176.050 174.600 0.013 0.000 1.346 22 S CA -0.361 57.851 58.200 0.020 0.000 1.034 22 S CB -0.561 62.653 63.200 0.022 0.000 0.879 22 S HN 0.288 nan 8.310 nan 0.000 0.528 23 N N 1.947 120.652 118.700 0.008 0.000 2.519 23 N HA -0.016 4.724 4.740 -0.000 0.000 0.186 23 N C 0.093 175.607 175.510 0.006 0.000 1.062 23 N CA 0.829 53.882 53.050 0.005 0.000 0.910 23 N CB 0.057 38.545 38.487 0.002 0.000 0.958 23 N HN 0.662 nan 8.380 nan 0.000 0.445 24 E N -1.152 119.053 120.200 0.009 0.000 2.256 24 E HA 0.317 4.667 4.350 -0.000 0.000 0.267 24 E C -0.112 176.494 176.600 0.010 0.000 0.892 24 E CA -0.400 56.005 56.400 0.008 0.000 0.775 24 E CB 1.554 31.259 29.700 0.008 0.000 1.207 24 E HN -0.141 nan 8.360 nan 0.000 0.420 25 S N 0.943 116.649 115.700 0.009 0.000 2.501 25 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 25 S C 0.096 174.701 174.600 0.008 0.000 0.997 25 S CA 0.012 58.218 58.200 0.009 0.000 0.919 25 S CB 0.107 63.311 63.200 0.007 0.000 0.778 25 S HN 0.501 nan 8.310 nan 0.000 0.523 26 D N 2.942 123.347 120.400 0.007 0.000 2.449 26 D HA 0.142 4.782 4.640 -0.000 0.000 0.236 26 D C 0.438 176.743 176.300 0.007 0.000 1.149 26 D CA 0.885 54.889 54.000 0.006 0.000 0.878 26 D CB 0.885 41.689 40.800 0.006 0.000 1.198 26 D HN 0.342 nan 8.370 nan 0.000 0.446 27 T N -1.345 113.212 114.554 0.004 0.000 2.865 27 T HA 0.715 5.065 4.350 -0.000 0.000 0.294 27 T C -0.221 174.477 174.700 -0.003 0.000 1.119 27 T CA -0.860 61.242 62.100 0.002 0.000 1.007 27 T CB 1.325 70.194 68.868 0.001 0.000 1.225 27 T HN 0.252 nan 8.240 nan 0.000 0.515 28 I N 1.301 121.866 120.570 -0.007 0.000 2.498 28 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 28 I C -0.905 175.195 176.117 -0.027 0.000 1.032 28 I CA -1.023 60.268 61.300 -0.015 0.000 1.073 28 I CB 2.091 40.084 38.000 -0.013 0.000 1.251 28 I HN 0.619 nan 8.210 nan 0.000 0.426 29 D N 5.818 126.198 120.400 -0.033 0.000 2.302 29 D HA 0.424 5.064 4.640 -0.000 0.000 0.248 29 D C -0.395 175.866 176.300 -0.066 0.000 1.094 29 D CA 0.144 54.117 54.000 -0.045 0.000 0.897 29 D CB 1.619 42.397 40.800 -0.037 0.000 1.200 29 D HN 0.168 nan 8.370 nan 0.000 0.429 30 I N 2.345 122.859 120.570 -0.093 0.000 2.354 30 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 30 I C -0.503 175.545 176.117 -0.115 0.000 0.989 30 I CA -0.591 60.635 61.300 -0.124 0.000 1.188 30 I CB 1.084 38.971 38.000 -0.188 0.000 1.342 30 I HN 0.026 nan 8.210 nan 0.000 0.457 31 L N 4.908 126.070 121.223 -0.102 0.000 2.322 31 L HA 0.438 4.778 4.340 -0.000 0.000 0.279 31 L C 0.478 177.298 176.870 -0.083 0.000 1.036 31 L CA -0.155 54.638 54.840 -0.079 0.000 0.807 31 L CB 1.616 43.629 42.059 -0.075 0.000 1.226 31 L HN 0.590 nan 8.230 nan 0.000 0.433 32 S N 3.725 119.400 115.700 -0.041 0.000 2.510 32 S HA 0.263 4.733 4.470 -0.000 0.000 0.279 32 S C -1.718 172.844 174.600 -0.063 0.000 1.284 32 S CA -0.817 57.369 58.200 -0.024 0.000 1.059 32 S CB 0.674 63.906 63.200 0.053 0.000 0.901 32 S HN 0.479 nan 8.310 nan 0.000 0.491 33 P HA -0.023 nan 4.420 nan 0.000 0.226 33 P C 1.269 178.389 177.300 -0.300 0.000 1.153 33 P CA 0.728 63.694 63.100 -0.224 0.000 0.777 33 P CB 0.029 31.562 31.700 -0.278 0.000 0.794 34 S N -1.712 113.886 115.700 -0.169 0.000 2.421 34 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 34 S C 1.880 176.710 174.600 0.384 0.000 1.035 34 S CA 1.443 59.609 58.200 -0.055 0.000 0.953 34 S CB -1.674 61.536 63.200 0.016 0.000 0.810 34 S HN 0.234 nan 8.310 nan 0.000 0.497 35 T N -2.988 111.752 114.554 0.310 0.000 3.037 35 T HA 0.493 4.843 4.350 -0.000 0.000 0.252 35 T C 1.768 176.574 174.700 0.177 0.000 1.073 35 T CA 0.924 63.223 62.100 0.331 0.000 1.091 35 T CB -0.203 68.817 68.868 0.254 0.000 0.935 35 T HN 1.171 nan 8.240 nan 0.000 0.488 36 G N 1.618 110.475 108.800 0.096 0.000 2.205 36 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.261 36 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.261 36 G C 0.034 174.951 174.900 0.028 0.000 0.980 36 G CA 0.343 45.470 45.100 0.044 0.000 0.632 36 G HN 0.700 nan 8.290 nan 0.000 0.533 37 K N 0.170 120.596 120.400 0.043 0.000 2.118 37 K HA 0.576 4.896 4.320 -0.000 0.000 0.264 37 K C 0.454 177.062 176.600 0.015 0.000 1.000 37 K CA -0.707 55.598 56.287 0.031 0.000 0.929 37 K CB 2.034 34.562 32.500 0.046 0.000 1.021 37 K HN 0.020 nan 8.250 nan 0.000 0.463 38 V N 4.220 124.138 119.914 0.006 0.000 2.470 38 V HA 0.020 4.140 4.120 -0.000 0.000 0.276 38 V C 1.118 177.213 176.094 0.002 0.000 1.040 38 V CA 0.178 62.471 62.300 -0.011 0.000 1.008 38 V CB 0.123 31.938 31.823 -0.013 0.000 0.990 38 V HN 0.743 nan 8.190 nan 0.000 0.477 39 I N 1.868 122.422 120.570 -0.028 0.000 4.187 39 I HA 0.736 4.906 4.170 -0.000 0.000 0.326 39 I C 0.779 176.860 176.117 -0.059 0.000 1.302 39 I CA 0.441 61.745 61.300 0.006 0.000 1.196 39 I CB 0.624 38.627 38.000 0.004 0.000 1.095 39 I HN 0.653 nan 8.210 nan 0.000 0.411 40 G N 0.538 109.257 108.800 -0.135 0.000 2.340 40 G HA2 0.486 4.446 3.960 -0.000 0.000 0.299 40 G HA3 0.486 4.446 3.960 -0.000 0.000 0.299 40 G C -1.984 172.853 174.900 -0.106 0.000 1.291 40 G CA -0.537 44.483 45.100 -0.133 0.000 0.841 40 G HN 0.159 nan 8.290 nan 0.000 0.500 41 E N -0.760 119.396 120.200 -0.073 0.000 2.311 41 E HA 0.498 4.848 4.350 -0.000 0.000 0.281 41 E C -0.753 175.834 176.600 -0.022 0.000 0.905 41 E CA -0.713 55.661 56.400 -0.042 0.000 0.778 41 E CB 2.128 31.817 29.700 -0.019 0.000 1.240 41 E HN 0.734 nan 8.360 nan 0.000 0.410 42 I N -0.286 120.274 120.570 -0.016 0.000 2.863 42 I HA 0.720 4.890 4.170 -0.000 0.000 0.311 42 I C -2.543 173.583 176.117 0.015 0.000 1.026 42 I CA -2.921 58.384 61.300 0.009 0.000 1.077 42 I CB 1.505 39.511 38.000 0.010 0.000 1.262 42 I HN 0.240 nan 8.210 nan 0.000 0.461 43 P HA 0.067 nan 4.420 nan 0.000 0.267 43 P C 0.076 177.388 177.300 0.018 0.000 1.200 43 P CA -0.002 63.112 63.100 0.024 0.000 0.772 43 P CB 0.878 32.597 31.700 0.032 0.000 0.855 44 A N 2.820 125.648 122.820 0.014 0.000 2.067 44 A HA 0.357 4.677 4.320 -0.000 0.000 0.217 44 A C 1.162 178.755 177.584 0.016 0.000 1.156 44 A CA 1.171 53.216 52.037 0.012 0.000 0.683 44 A CB -1.414 17.591 19.000 0.008 0.000 0.808 44 A HN 0.785 nan 8.150 nan 0.000 0.455 45 G N -1.819 106.992 108.800 0.017 0.000 2.877 45 G HA2 0.013 3.973 3.960 -0.000 0.000 0.279 45 G HA3 0.013 3.973 3.960 -0.000 0.000 0.279 45 G C 0.034 174.943 174.900 0.014 0.000 1.431 45 G CA -0.050 45.061 45.100 0.018 0.000 0.883 45 G HN 2.207 nan 8.290 nan 0.000 0.547 46 C N -2.141 117.167 119.300 0.013 0.000 3.320 46 C HA 0.841 5.301 4.460 -0.000 0.000 0.335 46 C C 1.468 176.464 174.990 0.010 0.000 1.430 46 C CA 0.148 59.172 59.018 0.011 0.000 1.271 46 C CB 1.253 28.998 27.740 0.009 0.000 1.609 46 C HN 1.402 nan 8.230 nan 0.000 0.457 47 K N 0.729 121.134 120.400 0.009 0.000 2.103 47 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 47 K C 1.976 178.578 176.600 0.004 0.000 1.048 47 K CA 2.112 58.403 56.287 0.008 0.000 0.930 47 K CB -0.431 32.074 32.500 0.009 0.000 0.716 47 K HN 0.848 nan 8.250 nan 0.000 0.444 48 A N 1.215 124.036 122.820 0.002 0.000 1.969 48 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 48 A C 1.495 179.076 177.584 -0.004 0.000 1.169 48 A CA 1.719 53.755 52.037 -0.002 0.000 0.635 48 A CB -0.335 18.664 19.000 -0.002 0.000 0.810 48 A HN 0.382 nan 8.150 nan 0.000 0.445 49 D N 0.386 120.786 120.400 -0.001 0.000 2.084 49 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 49 D C 2.317 178.615 176.300 -0.004 0.000 0.985 49 D CA 1.597 55.596 54.000 -0.002 0.000 0.826 49 D CB -0.659 40.145 40.800 0.007 0.000 0.978 49 D HN 0.375 nan 8.370 nan 0.000 0.456 50 A N 1.396 124.217 122.820 0.001 0.000 1.917 50 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 50 A C 2.093 179.672 177.584 -0.008 0.000 1.182 50 A CA 1.523 53.560 52.037 0.001 0.000 0.633 50 A CB -0.455 18.549 19.000 0.007 0.000 0.819 50 A HN 0.071 nan 8.150 nan 0.000 0.448 51 E N -0.254 119.940 120.200 -0.010 0.000 2.150 51 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 51 E C 1.951 178.537 176.600 -0.023 0.000 0.985 51 E CA 0.913 57.303 56.400 -0.017 0.000 0.814 51 E CB -0.406 29.285 29.700 -0.014 0.000 0.752 51 E HN 0.792 nan 8.360 nan 0.000 0.466 52 N N 0.512 119.199 118.700 -0.022 0.000 2.084 52 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 52 N C 1.915 177.401 175.510 -0.039 0.000 1.030 52 N CA 1.327 54.359 53.050 -0.031 0.000 0.849 52 N CB 0.039 38.508 38.487 -0.030 0.000 1.012 52 N HN 0.040 nan 8.380 nan 0.000 0.423 53 A N 1.684 124.482 122.820 -0.036 0.000 1.892 53 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 53 A C 2.363 179.925 177.584 -0.037 0.000 1.188 53 A CA 1.141 53.154 52.037 -0.040 0.000 0.631 53 A CB -0.833 18.153 19.000 -0.023 0.000 0.822 53 A HN 0.364 nan 8.150 nan 0.000 0.447 54 L N -1.103 120.102 121.223 -0.029 0.000 2.093 54 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 54 L C 2.578 179.427 176.870 -0.035 0.000 1.085 54 L CA 1.513 56.335 54.840 -0.029 0.000 0.755 54 L CB -0.491 41.551 42.059 -0.029 0.000 0.904 54 L HN 0.464 nan 8.230 nan 0.000 0.435 55 E N -0.472 119.706 120.200 -0.037 0.000 2.072 55 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 55 E C 2.306 178.882 176.600 -0.040 0.000 0.985 55 E CA 1.063 57.441 56.400 -0.037 0.000 0.801 55 E CB 0.014 29.693 29.700 -0.035 0.000 0.750 55 E HN 0.206 nan 8.360 nan 0.000 0.452 56 V N 1.234 121.118 119.914 -0.050 0.000 2.343 56 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 56 V C 2.261 178.318 176.094 -0.062 0.000 1.051 56 V CA 1.844 64.107 62.300 -0.062 0.000 1.036 56 V CB -0.589 31.183 31.823 -0.085 0.000 0.654 56 V HN 0.327 nan 8.190 nan 0.000 0.451 57 A N -0.930 121.855 122.820 -0.058 0.000 1.933 57 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 57 A C 2.237 179.801 177.584 -0.033 0.000 1.175 57 A CA 2.019 54.022 52.037 -0.056 0.000 0.628 57 A CB -0.484 18.488 19.000 -0.046 0.000 0.814 57 A HN 0.608 nan 8.150 nan 0.000 0.444 58 Q N -0.642 119.142 119.800 -0.026 0.000 2.119 58 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 58 Q C 2.122 178.118 176.000 -0.007 0.000 0.972 58 Q CA 1.306 57.101 55.803 -0.013 0.000 0.847 58 Q CB -0.299 28.426 28.738 -0.021 0.000 0.903 58 Q HN 0.600 nan 8.270 nan 0.000 0.433 59 A N 0.362 123.171 122.820 -0.017 0.000 1.969 59 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 59 A C 2.088 179.670 177.584 -0.003 0.000 1.169 59 A CA 1.395 53.424 52.037 -0.013 0.000 0.635 59 A CB -0.541 18.444 19.000 -0.024 0.000 0.810 59 A HN 0.495 nan 8.150 nan 0.000 0.445 60 A N -1.478 121.336 122.820 -0.010 0.000 2.178 60 A HA 0.025 4.345 4.320 -0.000 0.000 0.211 60 A C 2.012 179.634 177.584 0.063 0.000 1.157 60 A CA 1.041 53.081 52.037 0.005 0.000 0.780 60 A CB -0.260 18.712 19.000 -0.047 0.000 0.828 60 A HN 0.498 nan 8.150 nan 0.000 0.476 61 Q N 0.393 120.232 119.800 0.065 0.000 2.083 61 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 61 Q C 1.335 177.421 176.000 0.143 0.000 0.969 61 Q CA 1.160 57.040 55.803 0.128 0.000 0.838 61 Q CB -0.121 28.672 28.738 0.093 0.000 0.900 61 Q HN 0.413 nan 8.270 nan 0.000 0.436 62 K N 0.438 120.889 120.400 0.084 0.000 2.097 62 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 62 K C 1.954 178.596 176.600 0.070 0.000 1.049 62 K CA 1.200 57.524 56.287 0.062 0.000 0.933 62 K CB -0.530 31.990 32.500 0.034 0.000 0.717 62 K HN 0.253 nan 8.250 nan 0.000 0.442 63 A N 0.811 123.685 122.820 0.090 0.000 1.897 63 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 63 A C 2.096 179.773 177.584 0.155 0.000 1.181 63 A CA 0.983 53.078 52.037 0.096 0.000 0.620 63 A CB -0.887 18.166 19.000 0.088 0.000 0.821 63 A HN 0.571 nan 8.150 nan 0.000 0.443 64 W N 0.732 122.027 121.300 -0.010 0.000 2.338 64 W HA -0.196 4.464 4.660 -0.000 0.000 0.304 64 W C 2.110 178.627 176.519 -0.004 0.000 1.212 64 W CA 1.732 59.072 57.345 -0.008 0.000 1.264 64 W CB -0.051 29.404 29.460 -0.009 0.000 1.142 64 W HN 0.408 nan 8.180 nan 0.000 0.512 65 A N 0.261 123.095 122.820 0.024 0.000 2.067 65 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 65 A C 1.978 179.499 177.584 -0.104 0.000 1.156 65 A CA 1.217 53.195 52.037 -0.097 0.000 0.683 65 A CB -0.698 18.306 19.000 0.007 0.000 0.808 65 A HN 0.264 nan 8.150 nan 0.000 0.455 66 K N -0.211 120.156 120.400 -0.055 0.000 2.217 66 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 66 K C 0.246 176.796 176.600 -0.084 0.000 1.051 66 K CA 0.103 56.359 56.287 -0.052 0.000 0.952 66 K CB -0.312 32.177 32.500 -0.018 0.000 0.736 66 K HN 0.505 nan 8.250 nan 0.000 0.453 67 L N 2.046 123.193 121.223 -0.127 0.000 2.482 67 L HA -0.024 4.316 4.340 -0.000 0.000 0.273 67 L C 0.945 177.702 176.870 -0.189 0.000 1.228 67 L CA -0.112 54.632 54.840 -0.161 0.000 0.827 67 L CB 0.180 42.094 42.059 -0.241 0.000 1.099 67 L HN 0.230 nan 8.230 nan 0.000 0.494 68 T N -1.248 113.217 114.554 -0.149 0.000 2.828 68 T HA 0.299 4.648 4.350 -0.000 0.000 0.290 68 T C 1.146 175.744 174.700 -0.170 0.000 1.019 68 T CA -0.240 61.783 62.100 -0.129 0.000 1.031 68 T CB 1.417 70.235 68.868 -0.085 0.000 1.001 68 T HN 0.658 nan 8.240 nan 0.000 0.531 69 A N 1.162 123.900 122.820 -0.137 0.000 1.908 69 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 69 A C 2.497 180.011 177.584 -0.116 0.000 1.181 69 A CA 1.894 53.849 52.037 -0.136 0.000 0.627 69 A CB -0.909 18.035 19.000 -0.094 0.000 0.818 69 A HN 0.969 nan 8.150 nan 0.000 0.445 70 R N -0.868 119.580 120.500 -0.087 0.000 2.073 70 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 70 R C 2.204 178.467 176.300 -0.062 0.000 1.134 70 R CA 2.089 58.152 56.100 -0.061 0.000 0.952 70 R CB -0.625 29.648 30.300 -0.045 0.000 0.850 70 R HN 0.516 nan 8.270 nan 0.000 0.433 71 T N 0.557 115.061 114.554 -0.082 0.000 2.684 71 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 71 T C 1.828 176.468 174.700 -0.100 0.000 1.036 71 T CA 1.549 63.603 62.100 -0.077 0.000 1.148 71 T CB -0.218 68.593 68.868 -0.095 0.000 0.863 71 T HN 0.354 nan 8.240 nan 0.000 0.436 72 R N 0.699 121.065 120.500 -0.223 0.000 2.096 72 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 72 R C 2.730 179.004 176.300 -0.044 0.000 1.127 72 R CA 1.305 57.239 56.100 -0.275 0.000 0.968 72 R CB -0.295 29.688 30.300 -0.528 0.000 0.861 72 R HN 0.508 nan 8.270 nan 0.000 0.440 73 Q N 0.603 120.374 119.800 -0.050 0.000 2.096 73 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 73 Q C 1.477 177.499 176.000 0.036 0.000 0.982 73 Q CA 1.553 57.355 55.803 -0.001 0.000 0.850 73 Q CB 0.066 28.790 28.738 -0.023 0.000 0.901 73 Q HN 0.282 nan 8.270 nan 0.000 0.422 74 N N 0.026 118.743 118.700 0.027 0.000 2.106 74 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 74 N C 1.748 177.312 175.510 0.090 0.000 1.029 74 N CA 1.404 54.483 53.050 0.047 0.000 0.848 74 N CB -0.274 38.231 38.487 0.030 0.000 1.007 74 N HN 0.287 nan 8.380 nan 0.000 0.423 75 M N 0.359 120.031 119.600 0.120 0.000 2.080 75 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 75 M C 1.891 178.324 176.300 0.222 0.000 1.068 75 M CA 1.356 56.764 55.300 0.180 0.000 1.109 75 M CB -0.253 32.508 32.600 0.268 0.000 1.342 75 M HN 0.063 nan 8.290 nan 0.000 0.405 76 L N -1.134 120.232 121.223 0.239 0.000 2.156 76 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 76 L C 2.566 179.563 176.870 0.211 0.000 1.095 76 L CA 0.801 55.809 54.840 0.279 0.000 0.770 76 L CB -0.604 41.615 42.059 0.267 0.000 0.914 76 L HN 0.254 nan 8.230 nan 0.000 0.439 77 R N -0.373 120.211 120.500 0.138 0.000 2.075 77 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 77 R C 2.270 178.630 176.300 0.099 0.000 1.126 77 R CA 1.779 57.935 56.100 0.094 0.000 0.963 77 R CB -0.647 29.691 30.300 0.063 0.000 0.858 77 R HN 0.324 nan 8.270 nan 0.000 0.435 78 T N 1.377 116.006 114.554 0.124 0.000 2.708 78 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 78 T C 1.412 176.220 174.700 0.180 0.000 1.037 78 T CA 1.285 63.461 62.100 0.127 0.000 1.146 78 T CB -0.367 68.574 68.868 0.122 0.000 0.865 78 T HN 0.143 nan 8.240 nan 0.000 0.435 79 F N 2.557 122.535 119.950 0.047 0.000 2.095 79 F HA -0.040 4.487 4.527 0.000 0.000 0.298 79 F C 2.457 178.278 175.800 0.036 0.000 1.104 79 F CA 0.822 58.843 58.000 0.035 0.000 1.232 79 F CB -1.018 38.002 39.000 0.034 0.000 0.987 79 F HN 0.156 nan 8.300 nan 0.000 0.475 80 A N 0.179 122.949 122.820 -0.083 0.000 1.972 80 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 80 A C 2.089 179.615 177.584 -0.097 0.000 1.169 80 A CA 1.761 53.692 52.037 -0.177 0.000 0.635 80 A CB -0.777 18.193 19.000 -0.051 0.000 0.810 80 A HN 0.500 nan 8.150 nan 0.000 0.446 81 N N -0.153 118.535 118.700 -0.019 0.000 2.207 81 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 81 N C 1.581 177.093 175.510 0.003 0.000 1.020 81 N CA 0.883 53.934 53.050 0.001 0.000 0.858 81 N CB -0.230 38.273 38.487 0.026 0.000 0.991 81 N HN 0.340 nan 8.380 nan 0.000 0.427 82 K N 1.136 121.551 120.400 0.025 0.000 2.097 82 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 82 K C 2.084 178.685 176.600 0.001 0.000 1.049 82 K CA 0.504 56.819 56.287 0.048 0.000 0.933 82 K CB -0.313 32.263 32.500 0.125 0.000 0.717 82 K HN 0.238 nan 8.250 nan 0.000 0.442 83 I N 0.625 121.134 120.570 -0.102 0.000 2.163 83 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 83 I C 2.525 178.605 176.117 -0.062 0.000 1.085 83 I CA 1.359 62.577 61.300 -0.138 0.000 1.347 83 I CB -0.221 37.600 38.000 -0.299 0.000 1.044 83 I HN 0.145 nan 8.210 nan 0.000 0.408 84 R N 0.600 121.072 120.500 -0.046 0.000 2.091 84 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 84 R C 2.194 178.509 176.300 0.026 0.000 1.136 84 R CA 1.676 57.771 56.100 -0.008 0.000 0.959 84 R CB -0.340 29.957 30.300 -0.005 0.000 0.856 84 R HN 0.465 nan 8.270 nan 0.000 0.437 85 E N 0.263 120.484 120.200 0.036 0.000 2.110 85 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 85 E C 1.085 177.768 176.600 0.138 0.000 0.988 85 E CA 0.723 57.169 56.400 0.077 0.000 0.804 85 E CB -0.050 29.689 29.700 0.065 0.000 0.745 85 E HN 0.331 nan 8.360 nan 0.000 0.458 86 N N 1.217 119.950 118.700 0.056 0.000 2.421 86 N HA -0.049 4.691 4.740 -0.000 0.000 0.201 86 N C 1.210 176.652 175.510 -0.114 0.000 1.198 86 N CA 0.121 53.142 53.050 -0.049 0.000 0.838 86 N CB 0.245 38.692 38.487 -0.067 0.000 1.011 86 N HN 0.133 nan 8.380 nan 0.000 0.463 87 K N 1.516 121.925 120.400 0.015 0.000 2.074 87 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 87 K C 2.098 178.697 176.600 -0.001 0.000 1.048 87 K CA 1.399 57.698 56.287 0.019 0.000 0.926 87 K CB -0.101 32.435 32.500 0.060 0.000 0.713 87 K HN 0.380 nan 8.250 nan 0.000 0.444 88 H N -0.476 118.591 119.070 -0.005 0.000 2.521 88 H HA -0.053 4.503 4.556 -0.000 0.000 0.286 88 H C 1.819 177.136 175.328 -0.018 0.000 1.034 88 H CA 1.342 57.385 56.048 -0.010 0.000 1.278 88 H CB -0.186 29.567 29.762 -0.015 0.000 1.386 88 H HN 0.310 nan 8.280 nan 0.000 0.567 89 I N 0.335 120.550 120.570 -0.591 0.000 2.512 89 I HA -0.106 4.064 4.170 -0.000 0.000 0.247 89 I C 2.543 178.554 176.117 -0.177 0.000 1.094 89 I CA 0.270 61.338 61.300 -0.388 0.000 1.427 89 I CB 0.052 37.781 38.000 -0.450 0.000 1.149 89 I HN 0.066 nan 8.210 nan 0.000 0.438 90 L N 0.579 121.723 121.223 -0.131 0.000 2.072 90 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 90 L C 2.814 179.693 176.870 0.014 0.000 1.079 90 L CA 1.282 56.103 54.840 -0.031 0.000 0.752 90 L CB -0.705 41.344 42.059 -0.016 0.000 0.906 90 L HN 0.213 nan 8.230 nan 0.000 0.436 91 A N 0.454 123.280 122.820 0.009 0.000 1.902 91 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 91 A C -0.088 177.524 177.584 0.047 0.000 1.181 91 A CA 1.504 53.564 52.037 0.039 0.000 0.623 91 A CB -1.694 17.330 19.000 0.040 0.000 0.818 91 A HN 0.273 nan 8.150 nan 0.000 0.443 92 P HA -0.123 nan 4.420 nan 0.000 0.216 92 P C 1.706 179.051 177.300 0.076 0.000 1.153 92 P CA 1.134 64.259 63.100 0.042 0.000 0.848 92 P CB -0.219 31.489 31.700 0.014 0.000 0.787 93 M N -1.306 118.334 119.600 0.065 0.000 2.108 93 M HA -0.207 4.273 4.480 -0.000 0.000 0.257 93 M C 1.983 178.428 176.300 0.242 0.000 1.071 93 M CA 1.936 57.367 55.300 0.218 0.000 1.093 93 M CB -1.005 31.719 32.600 0.206 0.000 1.345 93 M HN -0.061 nan 8.290 nan 0.000 0.403 94 L N -1.065 120.244 121.223 0.143 0.000 2.141 94 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 94 L C 2.274 179.195 176.870 0.086 0.000 1.094 94 L CA 0.612 55.519 54.840 0.112 0.000 0.763 94 L CB -0.501 41.616 42.059 0.097 0.000 0.908 94 L HN 0.128 nan 8.230 nan 0.000 0.437 95 V N -0.234 119.731 119.914 0.086 0.000 2.453 95 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 95 V C 2.670 178.807 176.094 0.072 0.000 1.048 95 V CA 1.590 63.927 62.300 0.062 0.000 1.049 95 V CB -0.818 31.040 31.823 0.060 0.000 0.672 95 V HN 0.448 nan 8.190 nan 0.000 0.457 96 A N 1.285 124.184 122.820 0.133 0.000 1.828 96 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 96 A C 2.277 179.907 177.584 0.076 0.000 1.203 96 A CA 1.993 54.128 52.037 0.163 0.000 0.614 96 A CB -0.671 18.541 19.000 0.353 0.000 0.844 96 A HN 0.736 nan 8.150 nan 0.000 0.445 97 E N -1.651 118.584 120.200 0.059 0.000 2.106 97 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 97 E C 1.973 178.548 176.600 -0.042 0.000 0.984 97 E CA 1.410 57.785 56.400 -0.040 0.000 0.806 97 E CB -0.201 29.452 29.700 -0.079 0.000 0.750 97 E HN 0.628 nan 8.360 nan 0.000 0.458 98 Q N 0.007 119.801 119.800 -0.010 0.000 2.402 98 Q HA 0.074 4.414 4.340 -0.000 0.000 0.231 98 Q C 1.108 177.067 176.000 -0.069 0.000 0.888 98 Q CA 1.084 56.872 55.803 -0.026 0.000 0.938 98 Q CB 1.116 29.870 28.738 0.028 0.000 1.086 98 Q HN 0.495 nan 8.270 nan 0.000 0.543 99 G N 2.325 111.092 108.800 -0.055 0.000 2.157 99 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.239 99 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.239 99 G C -0.056 174.801 174.900 -0.072 0.000 0.982 99 G CA 0.511 45.555 45.100 -0.093 0.000 0.650 99 G HN 0.430 nan 8.290 nan 0.000 0.527 100 K N 0.763 121.139 120.400 -0.040 0.000 2.202 100 K HA 0.680 5.000 4.320 -0.000 0.000 0.264 100 K C 0.939 177.549 176.600 0.017 0.000 1.010 100 K CA -0.990 55.287 56.287 -0.018 0.000 0.940 100 K CB 1.106 33.588 32.500 -0.031 0.000 0.983 100 K HN 0.194 nan 8.250 nan 0.000 0.475 101 L N 2.903 124.148 121.223 0.037 0.000 2.554 101 L HA -0.153 4.187 4.340 -0.000 0.000 0.293 101 L C 1.874 178.769 176.870 0.041 0.000 1.252 101 L CA -0.057 54.809 54.840 0.043 0.000 0.862 101 L CB -0.103 41.987 42.059 0.052 0.000 1.113 101 L HN 0.752 nan 8.230 nan 0.000 0.510 102 L N 1.892 123.138 121.223 0.037 0.000 2.043 102 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 102 L C 2.671 179.562 176.870 0.036 0.000 1.075 102 L CA 2.176 57.039 54.840 0.039 0.000 0.752 102 L CB -0.048 42.032 42.059 0.035 0.000 0.891 102 L HN 1.031 nan 8.230 nan 0.000 0.432 103 S N -1.420 114.296 115.700 0.027 0.000 2.368 103 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 103 S C 1.826 176.438 174.600 0.021 0.000 1.029 103 S CA 1.136 59.345 58.200 0.014 0.000 0.988 103 S CB -0.858 62.338 63.200 -0.006 0.000 0.838 103 S HN 0.245 nan 8.310 nan 0.000 0.462 104 V N 2.728 122.664 119.914 0.036 0.000 2.407 104 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 104 V C 3.097 179.259 176.094 0.113 0.000 1.055 104 V CA 1.663 64.008 62.300 0.076 0.000 1.049 104 V CB -1.518 30.369 31.823 0.107 0.000 0.662 104 V HN 0.675 nan 8.190 nan 0.000 0.455 105 A N -0.614 122.260 122.820 0.091 0.000 2.014 105 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 105 A C 2.186 179.817 177.584 0.077 0.000 1.163 105 A CA 1.589 53.683 52.037 0.096 0.000 0.652 105 A CB -0.356 18.689 19.000 0.075 0.000 0.808 105 A HN 0.596 nan 8.150 nan 0.000 0.449 106 E N -1.011 119.222 120.200 0.055 0.000 2.047 106 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 106 E C 2.070 178.691 176.600 0.035 0.000 0.987 106 E CA 1.051 57.475 56.400 0.040 0.000 0.799 106 E CB -0.180 29.537 29.700 0.028 0.000 0.752 106 E HN 0.413 nan 8.360 nan 0.000 0.449 107 M N 0.688 120.306 119.600 0.030 0.000 2.108 107 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 107 M C 2.233 178.556 176.300 0.039 0.000 1.066 107 M CA 1.590 56.900 55.300 0.016 0.000 1.107 107 M CB -0.646 31.953 32.600 -0.001 0.000 1.356 107 M HN 0.135 nan 8.290 nan 0.000 0.406 108 E N -0.462 119.792 120.200 0.091 0.000 2.118 108 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 108 E C 1.859 178.522 176.600 0.105 0.000 0.992 108 E CA 1.468 57.950 56.400 0.136 0.000 0.804 108 E CB 0.097 29.944 29.700 0.245 0.000 0.741 108 E HN 0.289 nan 8.360 nan 0.000 0.458 109 V N 1.746 121.705 119.914 0.074 0.000 2.343 109 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 109 V C 1.804 177.913 176.094 0.026 0.000 1.051 109 V CA 2.121 64.447 62.300 0.044 0.000 1.036 109 V CB -0.488 31.352 31.823 0.029 0.000 0.654 109 V HN 0.322 nan 8.190 nan 0.000 0.451 110 D N -0.038 120.374 120.400 0.021 0.000 2.144 110 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 110 D C 2.107 178.413 176.300 0.010 0.000 0.978 110 D CA 1.172 55.175 54.000 0.004 0.000 0.833 110 D CB -0.143 40.651 40.800 -0.011 0.000 0.961 110 D HN 0.361 nan 8.370 nan 0.000 0.470 111 V N 0.888 120.816 119.914 0.024 0.000 2.548 111 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 111 V C 2.434 178.621 176.094 0.154 0.000 1.055 111 V CA 1.506 63.825 62.300 0.031 0.000 1.065 111 V CB -0.777 31.046 31.823 -0.000 0.000 0.681 111 V HN 0.175 nan 8.190 nan 0.000 0.462 112 T N 0.913 115.567 114.554 0.167 0.000 2.720 112 T HA -0.203 4.146 4.350 -0.000 0.000 0.268 112 T C 2.085 176.845 174.700 0.100 0.000 1.037 112 T CA 1.842 64.044 62.100 0.171 0.000 1.144 112 T CB -0.395 68.511 68.868 0.063 0.000 0.864 112 T HN 0.579 nan 8.240 nan 0.000 0.444 113 A N 1.708 124.545 122.820 0.029 0.000 1.897 113 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 113 A C 2.634 180.248 177.584 0.050 0.000 1.181 113 A CA 2.036 54.067 52.037 -0.010 0.000 0.620 113 A CB -1.131 17.849 19.000 -0.034 0.000 0.821 113 A HN 0.624 nan 8.150 nan 0.000 0.443 114 T N -3.551 111.047 114.554 0.073 0.000 2.951 114 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 114 T C 1.677 176.474 174.700 0.162 0.000 1.073 114 T CA 1.090 63.262 62.100 0.120 0.000 1.134 114 T CB -0.601 68.317 68.868 0.083 0.000 0.884 114 T HN 0.306 nan 8.240 nan 0.000 0.479 115 F N 1.175 121.122 119.950 -0.005 0.000 2.134 115 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 115 F C 2.266 178.043 175.800 -0.038 0.000 1.097 115 F CA 0.932 58.778 58.000 -0.257 0.000 1.264 115 F CB -0.268 38.571 39.000 -0.267 0.000 1.001 115 F HN 0.107 nan 8.300 nan 0.000 0.479 116 I N -0.332 120.354 120.570 0.193 0.000 2.202 116 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 116 I C 1.936 178.129 176.117 0.127 0.000 1.091 116 I CA 1.192 62.573 61.300 0.134 0.000 1.368 116 I CB -0.461 37.584 38.000 0.075 0.000 1.058 116 I HN 0.037 nan 8.210 nan 0.000 0.410 117 D N 0.081 120.553 120.400 0.119 0.000 2.123 117 D HA -0.249 4.391 4.640 -0.000 0.000 0.196 117 D C 1.930 178.300 176.300 0.117 0.000 0.992 117 D CA 1.393 55.454 54.000 0.102 0.000 0.833 117 D CB -0.339 40.517 40.800 0.092 0.000 0.954 117 D HN 0.368 nan 8.370 nan 0.000 0.455 118 Y N 1.352 121.703 120.300 0.084 0.000 2.145 118 Y HA -0.157 4.393 4.550 0.000 0.000 0.286 118 Y C 2.339 178.279 175.900 0.067 0.000 1.145 118 Y CA 2.162 60.316 58.100 0.089 0.000 1.148 118 Y CB -0.563 37.980 38.460 0.138 0.000 0.981 118 Y HN -0.038 nan 8.280 nan 0.000 0.507 119 G N -0.584 108.268 108.800 0.087 0.000 2.476 119 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 119 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 119 G C 1.709 176.561 174.900 -0.079 0.000 1.164 119 G CA 1.323 46.415 45.100 -0.013 0.000 0.768 119 G HN 0.555 nan 8.290 nan 0.000 0.560 120 C N 0.692 119.978 119.300 -0.025 0.000 2.413 120 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 120 C C 2.494 177.437 174.990 -0.078 0.000 1.265 120 C CA 0.713 59.716 59.018 -0.026 0.000 1.752 120 C CB -0.734 27.017 27.740 0.019 0.000 1.998 120 C HN 0.440 nan 8.230 nan 0.000 0.489 121 D N 0.848 121.172 120.400 -0.127 0.000 2.271 121 D HA -0.095 4.544 4.640 -0.000 0.000 0.207 121 D C 1.704 177.890 176.300 -0.190 0.000 0.983 121 D CA 1.017 54.922 54.000 -0.158 0.000 0.878 121 D CB -0.551 40.122 40.800 -0.211 0.000 0.920 121 D HN 0.593 nan 8.370 nan 0.000 0.479 122 N N -0.148 118.414 118.700 -0.230 0.000 2.353 122 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 122 N C 1.549 176.993 175.510 -0.110 0.000 1.098 122 N CA 0.272 53.211 53.050 -0.186 0.000 0.872 122 N CB 0.530 38.885 38.487 -0.219 0.000 0.970 122 N HN 0.067 nan 8.380 nan 0.000 0.467 123 A N 1.312 124.077 122.820 -0.092 0.000 1.883 123 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 123 A C 1.964 179.508 177.584 -0.066 0.000 1.186 123 A CA 1.111 53.105 52.037 -0.072 0.000 0.624 123 A CB -0.468 18.492 19.000 -0.066 0.000 0.822 123 A HN 0.223 nan 8.150 nan 0.000 0.444 124 L N -0.287 120.898 121.223 -0.062 0.000 2.607 124 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 124 L C 1.948 178.788 176.870 -0.050 0.000 1.123 124 L CA 0.924 55.733 54.840 -0.052 0.000 0.890 124 L CB -0.057 41.975 42.059 -0.045 0.000 1.103 124 L HN 0.576 nan 8.230 nan 0.000 0.468 125 T N -3.861 110.657 114.554 -0.060 0.000 2.990 125 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 125 T C 0.773 175.440 174.700 -0.055 0.000 1.041 125 T CA -0.228 61.837 62.100 -0.058 0.000 1.010 125 T CB -0.009 68.817 68.868 -0.069 0.000 1.003 125 T HN -0.010 nan 8.240 nan 0.000 0.499 126 I N 2.302 122.840 120.570 -0.054 0.000 2.741 126 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 126 I C 0.334 176.432 176.117 -0.031 0.000 1.192 126 I CA 0.563 61.839 61.300 -0.040 0.000 1.426 126 I CB 0.309 38.292 38.000 -0.029 0.000 1.367 126 I HN 0.276 nan 8.210 nan 0.000 0.563 127 E N 3.714 123.896 120.200 -0.030 0.000 2.272 127 E HA 0.521 4.871 4.350 -0.000 0.000 0.269 127 E C -0.102 176.480 176.600 -0.030 0.000 0.877 127 E CA -0.608 55.773 56.400 -0.031 0.000 0.755 127 E CB 1.989 31.666 29.700 -0.038 0.000 1.192 127 E HN 0.705 nan 8.360 nan 0.000 0.422 128 G N 1.838 110.615 108.800 -0.040 0.000 2.532 128 G HA2 0.300 4.260 3.960 -0.000 0.000 0.291 128 G HA3 0.300 4.260 3.960 -0.000 0.000 0.291 128 G C -0.705 174.151 174.900 -0.074 0.000 1.349 128 G CA -0.370 44.695 45.100 -0.059 0.000 1.038 128 G HN 0.469 nan 8.290 nan 0.000 0.518 129 D N -0.555 119.791 120.400 -0.090 0.000 2.350 129 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 129 D C -0.431 175.784 176.300 -0.141 0.000 1.036 129 D CA -0.071 53.870 54.000 -0.097 0.000 0.848 129 D CB 2.449 43.199 40.800 -0.083 0.000 1.307 129 D HN 0.164 nan 8.370 nan 0.000 0.469 130 I N 1.874 122.345 120.570 -0.165 0.000 2.362 130 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 130 I C -0.475 175.486 176.117 -0.259 0.000 0.994 130 I CA -0.591 60.534 61.300 -0.292 0.000 1.158 130 I CB 1.152 39.015 38.000 -0.227 0.000 1.315 130 I HN 0.042 nan 8.210 nan 0.000 0.451 131 L N 7.721 128.749 121.223 -0.324 0.000 2.333 131 L HA 0.651 4.991 4.340 -0.000 0.000 0.263 131 L C -2.309 174.440 176.870 -0.202 0.000 1.014 131 L CA -1.600 53.108 54.840 -0.220 0.000 0.820 131 L CB 2.185 44.127 42.059 -0.195 0.000 1.352 131 L HN 0.371 nan 8.230 nan 0.000 0.421 132 P HA 0.179 nan 4.420 nan 0.000 0.276 132 P C -1.123 176.137 177.300 -0.067 0.000 1.244 132 P CA -0.401 62.645 63.100 -0.091 0.000 0.801 132 P CB 1.750 33.415 31.700 -0.059 0.000 1.006 133 S N -0.079 115.599 115.700 -0.036 0.000 2.568 133 S HA 0.298 4.768 4.470 -0.000 0.000 0.302 133 S C 0.421 175.034 174.600 0.021 0.000 1.082 133 S CA -0.548 57.657 58.200 0.010 0.000 1.009 133 S CB 0.678 63.899 63.200 0.035 0.000 1.069 133 S HN 0.209 nan 8.310 nan 0.000 0.500 134 D N 1.629 122.054 120.400 0.042 0.000 2.347 134 D HA 0.137 4.777 4.640 -0.000 0.000 0.215 134 D C -0.269 176.049 176.300 0.030 0.000 0.976 134 D CA 0.768 54.787 54.000 0.032 0.000 0.884 134 D CB -0.023 40.799 40.800 0.036 0.000 0.915 134 D HN 0.367 nan 8.370 nan 0.000 0.526 135 N N 1.143 119.867 118.700 0.040 0.000 2.421 135 N HA 0.128 4.868 4.740 -0.000 0.000 0.285 135 N C -0.109 175.418 175.510 0.029 0.000 1.027 135 N CA -0.342 52.729 53.050 0.034 0.000 0.918 135 N CB 1.423 39.937 38.487 0.045 0.000 1.152 135 N HN 0.081 nan 8.380 nan 0.000 0.485 136 Q N 0.579 120.392 119.800 0.021 0.000 2.428 136 Q HA -0.041 4.299 4.340 -0.000 0.000 0.276 136 Q C -0.405 175.609 176.000 0.023 0.000 1.059 136 Q CA 0.551 56.364 55.803 0.017 0.000 0.923 136 Q CB 0.389 29.135 28.738 0.013 0.000 1.283 136 Q HN 0.509 nan 8.270 nan 0.000 0.447 137 D N 1.109 121.521 120.400 0.021 0.000 2.837 137 D HA -0.211 4.429 4.640 -0.000 0.000 0.230 137 D C -0.763 175.562 176.300 0.042 0.000 1.152 137 D CA 1.442 55.459 54.000 0.028 0.000 0.736 137 D CB -0.692 40.124 40.800 0.027 0.000 1.084 137 D HN 0.607 nan 8.370 nan 0.000 0.429 138 E N -0.107 120.117 120.200 0.041 0.000 2.314 138 E HA 0.487 4.837 4.350 -0.000 0.000 0.272 138 E C -0.966 175.649 176.600 0.024 0.000 0.884 138 E CA -0.746 55.690 56.400 0.061 0.000 0.753 138 E CB 1.797 31.547 29.700 0.083 0.000 1.213 138 E HN -0.096 nan 8.360 nan 0.000 0.432 139 K N 3.190 123.606 120.400 0.026 0.000 2.318 139 K HA 0.540 4.860 4.320 -0.000 0.000 0.249 139 K C -0.801 175.691 176.600 -0.180 0.000 0.942 139 K CA -0.755 55.452 56.287 -0.133 0.000 0.808 139 K CB 1.807 34.171 32.500 -0.227 0.000 1.189 139 K HN 0.439 nan 8.250 nan 0.000 0.428 140 I N 2.829 123.174 120.570 -0.375 0.000 2.378 140 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 140 I C -1.101 174.719 176.117 -0.494 0.000 0.992 140 I CA -0.842 60.212 61.300 -0.410 0.000 1.154 140 I CB 0.780 38.505 38.000 -0.458 0.000 1.315 140 I HN 0.443 nan 8.210 nan 0.000 0.448 141 Y N 6.052 126.239 120.300 -0.188 0.000 2.429 141 Y HA 0.617 5.167 4.550 0.000 0.000 0.342 141 Y C -0.085 175.737 175.900 -0.130 0.000 1.004 141 Y CA -0.824 57.179 58.100 -0.160 0.000 1.075 141 Y CB 1.933 40.328 38.460 -0.107 0.000 1.214 141 Y HN 0.315 nan 8.280 nan 0.000 0.455 142 I N 4.036 124.595 120.570 -0.018 0.000 2.495 142 I HA 0.230 4.400 4.170 -0.000 0.000 0.277 142 I C -0.585 175.521 176.117 -0.018 0.000 1.045 142 I CA -0.513 60.797 61.300 0.017 0.000 1.135 142 I CB 0.529 38.523 38.000 -0.011 0.000 1.241 142 I HN 0.620 nan 8.210 nan 0.000 0.469 143 H N 5.354 124.453 119.070 0.048 0.000 2.562 143 H HA 0.378 4.934 4.556 0.000 0.000 0.352 143 H C -0.446 174.897 175.328 0.025 0.000 1.125 143 H CA -0.395 55.672 56.048 0.032 0.000 1.379 143 H CB 1.591 31.362 29.762 0.015 0.000 1.464 143 H HN 0.368 nan 8.280 nan 0.000 0.563 144 K N 2.112 122.592 120.400 0.135 0.000 2.235 144 K HA 0.404 4.724 4.320 -0.000 0.000 0.266 144 K C -0.461 176.190 176.600 0.085 0.000 0.980 144 K CA -0.619 55.723 56.287 0.091 0.000 0.849 144 K CB 1.905 34.440 32.500 0.059 0.000 1.098 144 K HN 0.367 nan 8.250 nan 0.000 0.445 145 V N 0.027 119.985 119.914 0.075 0.000 3.102 145 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 145 V C -2.856 173.278 176.094 0.066 0.000 1.135 145 V CA -2.978 59.356 62.300 0.057 0.000 1.022 145 V CB 1.702 33.549 31.823 0.041 0.000 1.056 145 V HN 0.507 nan 8.190 nan 0.000 0.436 146 P HA 0.425 nan 4.420 nan 0.000 0.272 146 P C 0.158 177.509 177.300 0.086 0.000 1.240 146 P CA -0.260 62.894 63.100 0.090 0.000 0.791 146 P CB 0.653 32.408 31.700 0.093 0.000 0.978 147 R N 0.628 121.191 120.500 0.104 0.000 2.090 147 R HA 0.262 4.602 4.340 -0.000 0.000 0.219 147 R C 1.243 177.585 176.300 0.070 0.000 1.100 147 R CA 1.109 57.258 56.100 0.083 0.000 0.991 147 R CB -0.408 29.946 30.300 0.089 0.000 0.893 147 R HN 0.778 nan 8.270 nan 0.000 0.443 148 G N 0.258 109.109 108.800 0.086 0.000 2.181 148 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.098 148 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.098 148 G C -1.044 173.901 174.900 0.075 0.000 1.237 148 G CA -0.247 44.895 45.100 0.069 0.000 1.238 148 G HN 0.192 nan 8.290 nan 0.000 0.468 149 V N 0.749 120.691 119.914 0.047 0.000 2.509 149 V HA 0.788 4.908 4.120 -0.000 0.000 0.284 149 V C 0.000 176.128 176.094 0.056 0.000 1.047 149 V CA -0.504 61.821 62.300 0.042 0.000 0.952 149 V CB 1.280 33.110 31.823 0.011 0.000 0.988 149 V HN 1.076 nan 8.190 nan 0.000 0.469 150 V N 6.114 126.073 119.914 0.077 0.000 2.513 150 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 150 V C -0.057 176.083 176.094 0.078 0.000 1.035 150 V CA -0.508 61.855 62.300 0.104 0.000 0.889 150 V CB 1.902 33.842 31.823 0.194 0.000 0.988 150 V HN 0.824 nan 8.190 nan 0.000 0.440 151 V N 3.731 123.685 119.914 0.067 0.000 2.394 151 V HA 0.699 4.819 4.120 -0.000 0.000 0.282 151 V C 0.681 176.819 176.094 0.073 0.000 1.031 151 V CA -0.183 62.151 62.300 0.055 0.000 0.881 151 V CB 1.644 33.489 31.823 0.037 0.000 0.982 151 V HN 0.977 nan 8.190 nan 0.000 0.451 152 G N 4.857 113.700 108.800 0.071 0.000 2.416 152 G HA2 0.725 4.685 3.960 -0.000 0.000 0.324 152 G HA3 0.725 4.685 3.960 -0.000 0.000 0.324 152 G C -1.077 173.860 174.900 0.061 0.000 1.194 152 G CA -0.417 44.729 45.100 0.076 0.000 0.922 152 G HN 0.596 nan 8.290 nan 0.000 0.467 153 I N 2.185 122.790 120.570 0.058 0.000 2.410 153 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 153 I C 0.456 176.602 176.117 0.049 0.000 1.009 153 I CA -0.499 60.833 61.300 0.052 0.000 1.111 153 I CB 2.351 40.380 38.000 0.048 0.000 1.262 153 I HN 0.577 nan 8.210 nan 0.000 0.443 154 T N 2.658 117.243 114.554 0.052 0.000 2.944 154 T HA 0.878 5.228 4.350 -0.000 0.000 0.284 154 T C 0.095 174.822 174.700 0.045 0.000 1.010 154 T CA -0.795 61.334 62.100 0.049 0.000 1.025 154 T CB 1.966 70.871 68.868 0.061 0.000 1.079 154 T HN 0.526 nan 8.240 nan 0.000 0.516 155 A N 0.942 123.774 122.820 0.019 0.000 2.247 155 A HA 0.598 4.918 4.320 -0.000 0.000 0.313 155 A C 1.054 178.654 177.584 0.026 0.000 1.109 155 A CA -1.034 50.973 52.037 -0.050 0.000 0.890 155 A CB 0.341 19.236 19.000 -0.175 0.000 1.239 155 A HN 1.120 nan 8.150 nan 0.000 0.506 156 W N 0.290 121.630 121.300 0.066 0.000 2.737 156 W HA -0.034 4.626 4.660 -0.000 0.000 0.262 156 W C 1.042 177.567 176.519 0.010 0.000 1.282 156 W CA 0.782 58.151 57.345 0.040 0.000 1.386 156 W CB -0.570 28.905 29.460 0.024 0.000 1.099 156 W HN 0.831 nan 8.180 nan 0.000 0.621 157 N N 1.825 120.497 118.700 -0.047 0.000 2.216 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.183 157 N C -0.049 175.180 175.510 -0.469 0.000 1.017 157 N CA 0.806 53.761 53.050 -0.159 0.000 0.861 157 N CB -1.178 37.111 38.487 -0.330 0.000 0.986 157 N HN 0.131 nan 8.380 nan 0.000 0.428 158 F N -0.087 119.912 119.950 0.082 0.000 2.622 158 F HA 0.441 4.968 4.527 -0.000 0.000 0.338 158 F C -1.794 174.054 175.800 0.080 0.000 1.334 158 F CA -2.029 56.022 58.000 0.085 0.000 1.179 158 F CB 2.157 41.202 39.000 0.075 0.000 1.471 158 F HN -0.129 nan 8.300 nan 0.000 0.576 159 P HA -0.179 nan 4.420 nan 0.000 0.215 159 P C 1.870 179.256 177.300 0.143 0.000 1.153 159 P CA 1.143 64.335 63.100 0.154 0.000 0.853 159 P CB 0.569 32.350 31.700 0.136 0.000 0.788 160 L N -1.111 120.207 121.223 0.158 0.000 2.127 160 L HA 0.084 4.424 4.340 -0.000 0.000 0.203 160 L C 2.375 179.321 176.870 0.128 0.000 1.080 160 L CA 1.392 56.308 54.840 0.127 0.000 0.768 160 L CB -1.319 40.811 42.059 0.118 0.000 0.924 160 L HN -0.153 nan 8.230 nan 0.000 0.444 161 A N -0.458 122.475 122.820 0.189 0.000 1.877 161 A HA -0.196 4.123 4.320 -0.000 0.000 0.216 161 A C 2.208 179.814 177.584 0.037 0.000 1.186 161 A CA 1.926 54.087 52.037 0.206 0.000 0.620 161 A CB -0.936 18.206 19.000 0.237 0.000 0.822 161 A HN 0.418 nan 8.150 nan 0.000 0.443 162 L N -0.873 120.374 121.223 0.040 0.000 2.131 162 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 162 L C 3.043 179.857 176.870 -0.094 0.000 1.092 162 L CA 0.881 55.680 54.840 -0.069 0.000 0.759 162 L CB -0.525 41.552 42.059 0.029 0.000 0.903 162 L HN 0.470 nan 8.230 nan 0.000 0.435 163 A N 0.367 123.179 122.820 -0.015 0.000 1.855 163 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 163 A C 2.437 180.001 177.584 -0.033 0.000 1.191 163 A CA 1.572 53.611 52.037 0.004 0.000 0.613 163 A CB -1.289 17.744 19.000 0.055 0.000 0.829 163 A HN 0.401 nan 8.150 nan 0.000 0.442 164 G N -0.582 108.200 108.800 -0.031 0.000 2.440 164 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 164 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 164 G C 1.709 176.512 174.900 -0.161 0.000 1.154 164 G CA 1.144 46.237 45.100 -0.012 0.000 0.767 164 G HN 0.557 nan 8.290 nan 0.000 0.552 165 R N 0.383 120.519 120.500 -0.606 0.000 2.154 165 R HA -0.126 4.214 4.340 -0.000 0.000 0.248 165 R C 2.286 178.361 176.300 -0.375 0.000 1.155 165 R CA 1.874 57.333 56.100 -1.068 0.000 0.979 165 R CB -0.094 29.397 30.300 -1.349 0.000 0.869 165 R HN 0.366 nan 8.270 nan 0.000 0.452 166 K N -0.913 119.375 120.400 -0.188 0.000 2.262 166 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 166 K C 2.009 178.564 176.600 -0.074 0.000 1.058 166 K CA 0.403 56.664 56.287 -0.043 0.000 0.974 166 K CB 0.129 32.655 32.500 0.042 0.000 0.910 166 K HN 0.051 nan 8.250 nan 0.000 0.484 167 I N 1.467 122.021 120.570 -0.027 0.000 2.091 167 I HA -0.290 3.880 4.170 -0.000 0.000 0.239 167 I C 2.455 178.575 176.117 0.005 0.000 1.061 167 I CA 1.779 63.093 61.300 0.024 0.000 1.317 167 I CB -0.822 37.254 38.000 0.127 0.000 1.031 167 I HN 0.314 nan 8.210 nan 0.000 0.401 168 G N 1.771 110.581 108.800 0.016 0.000 2.545 168 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 168 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 168 G C -0.461 174.414 174.900 -0.041 0.000 1.218 168 G CA 1.209 46.335 45.100 0.043 0.000 0.787 168 G HN 0.322 nan 8.290 nan 0.000 0.571 169 P HA -0.005 nan 4.420 nan 0.000 0.219 169 P C 2.002 178.938 177.300 -0.607 0.000 1.150 169 P CA 1.942 64.844 63.100 -0.330 0.000 0.814 169 P CB -0.140 31.336 31.700 -0.372 0.000 0.787 170 A N 0.517 122.891 122.820 -0.744 0.000 1.858 170 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 170 A C 2.444 180.016 177.584 -0.020 0.000 1.190 170 A CA 1.438 53.229 52.037 -0.410 0.000 0.617 170 A CB -1.526 17.394 19.000 -0.135 0.000 0.827 170 A HN 0.114 nan 8.150 nan 0.000 0.443 171 L N -1.228 120.027 121.223 0.053 0.000 2.131 171 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 171 L C 2.457 179.561 176.870 0.390 0.000 1.087 171 L CA 0.692 55.711 54.840 0.299 0.000 0.767 171 L CB -0.475 41.725 42.059 0.236 0.000 0.917 171 L HN 0.364 nan 8.230 nan 0.000 0.441 172 I N 0.693 121.364 120.570 0.168 0.000 2.361 172 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 172 I C 2.358 178.481 176.117 0.011 0.000 1.133 172 I CA 1.804 63.147 61.300 0.072 0.000 1.413 172 I CB -0.309 37.703 38.000 0.020 0.000 1.073 172 I HN 0.291 nan 8.210 nan 0.000 0.424 173 T N -2.311 112.269 114.554 0.043 0.000 3.194 173 T HA 0.351 4.701 4.350 -0.000 0.000 0.251 173 T C 1.470 176.205 174.700 0.058 0.000 1.132 173 T CA 0.320 62.447 62.100 0.045 0.000 1.028 173 T CB -0.393 68.529 68.868 0.090 0.000 0.976 173 T HN 0.578 nan 8.240 nan 0.000 0.535 174 G N 1.404 110.249 108.800 0.076 0.000 2.175 174 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 174 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 174 G C -0.050 175.034 174.900 0.307 0.000 0.982 174 G CA -0.340 44.793 45.100 0.056 0.000 0.641 174 G HN 0.586 nan 8.290 nan 0.000 0.527 175 N N 1.022 119.909 118.700 0.311 0.000 2.445 175 N HA 0.514 5.254 4.740 -0.000 0.000 0.264 175 N C 0.660 176.321 175.510 0.251 0.000 1.227 175 N CA 0.829 54.034 53.050 0.259 0.000 0.963 175 N CB 1.035 39.646 38.487 0.206 0.000 1.188 175 N HN 0.546 nan 8.380 nan 0.000 0.491 176 T N -2.407 112.207 114.554 0.100 0.000 2.948 176 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 176 T C -0.016 174.667 174.700 -0.028 0.000 1.019 176 T CA -0.877 61.179 62.100 -0.072 0.000 1.013 176 T CB 1.658 70.456 68.868 -0.116 0.000 1.117 176 T HN 0.430 nan 8.240 nan 0.000 0.533 177 M N 1.834 121.391 119.600 -0.073 0.000 2.327 177 M HA 0.563 5.043 4.480 -0.000 0.000 0.298 177 M C -1.946 174.341 176.300 -0.022 0.000 1.065 177 M CA -0.900 54.388 55.300 -0.020 0.000 0.916 177 M CB 1.944 34.540 32.600 -0.007 0.000 1.630 177 M HN 0.541 nan 8.290 nan 0.000 0.442 178 V N 5.546 125.462 119.914 0.004 0.000 2.350 178 V HA 0.416 4.536 4.120 -0.000 0.000 0.276 178 V C -0.767 175.345 176.094 0.029 0.000 1.028 178 V CA -0.726 61.581 62.300 0.010 0.000 0.860 178 V CB 1.229 33.056 31.823 0.006 0.000 0.990 178 V HN 0.693 nan 8.190 nan 0.000 0.453 179 L N 5.732 126.976 121.223 0.036 0.000 2.307 179 L HA 0.712 5.052 4.340 -0.000 0.000 0.284 179 L C -0.374 176.529 176.870 0.054 0.000 1.023 179 L CA -0.567 54.302 54.840 0.048 0.000 0.810 179 L CB 1.462 43.551 42.059 0.050 0.000 1.231 179 L HN 0.621 nan 8.230 nan 0.000 0.423 180 K N 7.285 127.718 120.400 0.055 0.000 2.572 180 K HA 0.608 4.928 4.320 -0.000 0.000 0.244 180 K C -2.791 173.847 176.600 0.064 0.000 0.965 180 K CA -1.989 54.332 56.287 0.057 0.000 0.943 180 K CB 1.195 33.724 32.500 0.050 0.000 1.154 180 K HN 0.335 nan 8.250 nan 0.000 0.447 181 P HA 0.148 nan 4.420 nan 0.000 0.278 181 P C -0.521 176.828 177.300 0.082 0.000 1.266 181 P CA -0.420 62.728 63.100 0.080 0.000 0.807 181 P CB 0.651 32.402 31.700 0.084 0.000 1.094 182 T N -2.124 112.493 114.554 0.105 0.000 2.856 182 T HA 0.027 4.377 4.350 -0.000 0.000 0.306 182 T C 1.537 176.285 174.700 0.079 0.000 1.062 182 T CA -0.179 61.990 62.100 0.114 0.000 1.083 182 T CB 0.066 69.052 68.868 0.196 0.000 0.984 182 T HN 0.565 nan 8.240 nan 0.000 0.542 183 Q N 0.393 120.229 119.800 0.059 0.000 2.291 183 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 183 Q C 1.798 177.798 176.000 -0.001 0.000 0.976 183 Q CA 1.542 57.360 55.803 0.025 0.000 0.875 183 Q CB -0.258 28.490 28.738 0.017 0.000 0.927 183 Q HN 0.836 nan 8.270 nan 0.000 0.450 184 E N 1.472 121.676 120.200 0.006 0.000 2.072 184 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 184 E C 0.312 176.890 176.600 -0.036 0.000 0.985 184 E CA 1.693 58.062 56.400 -0.052 0.000 0.801 184 E CB 0.383 30.017 29.700 -0.110 0.000 0.750 184 E HN 0.536 nan 8.360 nan 0.000 0.452 185 T N -2.769 111.807 114.554 0.035 0.000 3.542 185 T HA 0.330 4.679 4.350 -0.000 0.000 0.276 185 T C -2.535 172.197 174.700 0.054 0.000 1.412 185 T CA -1.359 60.767 62.100 0.044 0.000 1.664 185 T CB 1.347 70.284 68.868 0.115 0.000 0.863 185 T HN -0.073 nan 8.240 nan 0.000 0.661 186 P HA 0.342 nan 4.420 nan 0.000 0.264 186 P C 1.281 178.613 177.300 0.052 0.000 1.259 186 P CA -0.235 62.891 63.100 0.043 0.000 0.841 186 P CB 0.451 32.170 31.700 0.031 0.000 1.232 187 L N -0.298 120.935 121.223 0.017 0.000 2.102 187 L HA 0.081 4.421 4.340 -0.000 0.000 0.202 187 L C 2.667 179.643 176.870 0.176 0.000 1.076 187 L CA 1.375 56.249 54.840 0.058 0.000 0.761 187 L CB -1.218 40.749 42.059 -0.154 0.000 0.921 187 L HN -0.118 nan 8.230 nan 0.000 0.444 188 A N -0.160 122.765 122.820 0.175 0.000 1.933 188 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 188 A C 2.344 180.003 177.584 0.125 0.000 1.175 188 A CA 2.340 54.474 52.037 0.162 0.000 0.628 188 A CB -0.927 18.160 19.000 0.144 0.000 0.814 188 A HN 0.408 nan 8.150 nan 0.000 0.444 189 T N -0.199 114.424 114.554 0.115 0.000 2.777 189 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 189 T C 1.942 176.707 174.700 0.108 0.000 1.040 189 T CA 1.844 64.007 62.100 0.104 0.000 1.141 189 T CB -0.562 68.364 68.868 0.097 0.000 0.868 189 T HN 0.557 nan 8.240 nan 0.000 0.444 190 T N 2.007 116.643 114.554 0.137 0.000 2.833 190 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 190 T C 1.898 176.741 174.700 0.238 0.000 1.054 190 T CA 0.775 62.994 62.100 0.199 0.000 1.135 190 T CB -0.202 68.804 68.868 0.230 0.000 0.869 190 T HN 0.254 nan 8.240 nan 0.000 0.466 191 E N 1.297 121.602 120.200 0.176 0.000 2.118 191 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 191 E C 2.138 178.789 176.600 0.085 0.000 0.992 191 E CA 0.755 57.240 56.400 0.142 0.000 0.804 191 E CB -0.456 29.300 29.700 0.093 0.000 0.741 191 E HN 0.515 nan 8.360 nan 0.000 0.458 192 L N -0.230 121.024 121.223 0.053 0.000 2.261 192 L HA -0.136 4.204 4.340 -0.000 0.000 0.216 192 L C 2.352 179.125 176.870 -0.162 0.000 1.114 192 L CA 0.963 55.844 54.840 0.068 0.000 0.777 192 L CB -0.658 41.501 42.059 0.166 0.000 0.910 192 L HN 0.155 nan 8.230 nan 0.000 0.440 193 G N 0.042 108.531 108.800 -0.519 0.000 2.433 193 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 193 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 193 G C 1.706 175.916 174.900 -1.150 0.000 1.186 193 G CA 0.725 44.829 45.100 -1.660 0.000 0.779 193 G HN 0.285 nan 8.290 nan 0.000 0.543 194 R N 0.286 120.562 120.500 -0.374 0.000 2.094 194 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 194 R C 2.622 178.912 176.300 -0.017 0.000 1.137 194 R CA 1.741 57.845 56.100 0.007 0.000 0.943 194 R CB -0.456 29.952 30.300 0.181 0.000 0.850 194 R HN 0.425 nan 8.270 nan 0.000 0.433 195 I N 0.827 121.412 120.570 0.025 0.000 2.335 195 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 195 I C 2.546 178.777 176.117 0.189 0.000 1.129 195 I CA 1.348 62.737 61.300 0.148 0.000 1.402 195 I CB -0.424 37.704 38.000 0.213 0.000 1.069 195 I HN 0.349 nan 8.210 nan 0.000 0.424 196 A N 0.385 123.156 122.820 -0.082 0.000 1.968 196 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 196 A C 2.403 179.861 177.584 -0.211 0.000 1.169 196 A CA 1.222 52.976 52.037 -0.472 0.000 0.638 196 A CB -0.337 18.130 19.000 -0.889 0.000 0.812 196 A HN 0.290 nan 8.150 nan 0.000 0.446 197 K N -0.187 120.151 120.400 -0.102 0.000 2.057 197 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 197 K C 1.879 178.497 176.600 0.030 0.000 1.050 197 K CA 1.423 57.715 56.287 0.010 0.000 0.935 197 K CB -0.127 32.436 32.500 0.105 0.000 0.715 197 K HN 0.602 nan 8.250 nan 0.000 0.439 198 E N -0.085 120.143 120.200 0.046 0.000 2.118 198 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 198 E C 1.780 178.424 176.600 0.073 0.000 0.992 198 E CA 1.130 57.570 56.400 0.066 0.000 0.804 198 E CB -0.079 29.668 29.700 0.077 0.000 0.741 198 E HN 0.359 nan 8.360 nan 0.000 0.458 199 A N 0.040 122.913 122.820 0.090 0.000 2.121 199 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 199 A C 1.856 179.483 177.584 0.073 0.000 1.154 199 A CA 1.231 53.335 52.037 0.112 0.000 0.679 199 A CB -0.364 18.754 19.000 0.197 0.000 0.795 199 A HN 0.394 nan 8.150 nan 0.000 0.458 200 G N -2.375 106.447 108.800 0.038 0.000 2.144 200 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 200 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 200 G C -0.086 174.834 174.900 0.033 0.000 0.988 200 G CA 0.031 45.155 45.100 0.041 0.000 0.659 200 G HN 0.371 nan 8.290 nan 0.000 0.522 201 L N 1.927 123.130 121.223 -0.033 0.000 2.499 201 L HA 0.379 4.719 4.340 -0.000 0.000 0.273 201 L C -1.288 175.531 176.870 -0.084 0.000 1.195 201 L CA -0.836 53.944 54.840 -0.099 0.000 0.882 201 L CB 0.121 41.996 42.059 -0.307 0.000 1.133 201 L HN -0.010 nan 8.230 nan 0.000 0.483 202 P HA 0.025 nan 4.420 nan 0.000 0.267 202 P C -0.991 176.246 177.300 -0.105 0.000 1.200 202 P CA -0.367 62.711 63.100 -0.036 0.000 0.772 202 P CB 0.339 32.066 31.700 0.044 0.000 0.855 203 D N 1.469 121.826 120.400 -0.072 0.000 2.493 203 D HA 0.196 4.836 4.640 -0.000 0.000 0.240 203 D C 1.632 177.855 176.300 -0.129 0.000 1.142 203 D CA 1.764 55.703 54.000 -0.102 0.000 0.872 203 D CB -0.018 40.724 40.800 -0.096 0.000 1.173 203 D HN 0.688 nan 8.370 nan 0.000 0.467 204 G N 1.151 109.857 108.800 -0.156 0.000 2.179 204 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 204 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 204 G C 1.205 175.996 174.900 -0.182 0.000 0.977 204 G CA 0.281 45.289 45.100 -0.154 0.000 0.641 204 G HN 0.454 nan 8.290 nan 0.000 0.533 205 V N -0.372 119.378 119.914 -0.273 0.000 2.379 205 V HA 0.228 4.348 4.120 -0.000 0.000 0.245 205 V C 1.215 177.078 176.094 -0.385 0.000 1.044 205 V CA 1.943 63.955 62.300 -0.479 0.000 1.036 205 V CB 0.005 31.268 31.823 -0.932 0.000 0.664 205 V HN 0.491 nan 8.190 nan 0.000 0.453 206 L N 1.765 122.819 121.223 -0.281 0.000 2.343 206 L HA 0.513 4.852 4.340 -0.000 0.000 0.278 206 L C -0.693 176.172 176.870 -0.009 0.000 0.996 206 L CA -0.091 54.645 54.840 -0.172 0.000 0.831 206 L CB 1.166 43.075 42.059 -0.250 0.000 1.232 206 L HN 0.167 nan 8.230 nan 0.000 0.413 207 N N 4.515 123.216 118.700 0.003 0.000 2.321 207 N HA 0.541 5.281 4.740 -0.000 0.000 0.299 207 N C -1.365 174.194 175.510 0.083 0.000 1.048 207 N CA -0.524 52.566 53.050 0.066 0.000 0.836 207 N CB 2.776 41.251 38.487 -0.019 0.000 1.269 207 N HN 0.305 nan 8.380 nan 0.000 0.486 208 V N 2.776 122.777 119.914 0.146 0.000 2.378 208 V HA 0.463 4.583 4.120 -0.000 0.000 0.288 208 V C 0.073 176.230 176.094 0.105 0.000 1.016 208 V CA -0.751 61.617 62.300 0.114 0.000 0.840 208 V CB 1.564 33.459 31.823 0.119 0.000 0.994 208 V HN 0.603 nan 8.190 nan 0.000 0.431 209 I N 4.880 125.494 120.570 0.074 0.000 2.530 209 I HA 0.582 4.752 4.170 -0.000 0.000 0.297 209 I C -0.469 175.686 176.117 0.064 0.000 1.011 209 I CA -0.253 61.083 61.300 0.061 0.000 1.107 209 I CB 1.633 39.655 38.000 0.037 0.000 1.285 209 I HN 0.577 nan 8.210 nan 0.000 0.436 210 N N 4.388 123.125 118.700 0.062 0.000 2.362 210 N HA 0.840 5.580 4.740 -0.000 0.000 0.299 210 N C -0.313 175.222 175.510 0.042 0.000 1.170 210 N CA -0.154 52.929 53.050 0.056 0.000 0.825 210 N CB 2.070 40.594 38.487 0.063 0.000 1.299 210 N HN 0.960 nan 8.380 nan 0.000 0.502 211 G N -0.639 108.183 108.800 0.036 0.000 2.320 211 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.274 211 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.274 211 G C -0.947 173.970 174.900 0.028 0.000 1.324 211 G CA -0.494 44.623 45.100 0.028 0.000 0.957 211 G HN 0.623 nan 8.290 nan 0.000 0.481 212 T N -0.930 113.638 114.554 0.024 0.000 2.904 212 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 212 T C 1.750 176.468 174.700 0.030 0.000 1.018 212 T CA 0.862 62.977 62.100 0.025 0.000 1.075 212 T CB 1.406 70.285 68.868 0.019 0.000 0.986 212 T HN 1.849 nan 8.240 nan 0.000 0.523 213 G N 1.056 109.876 108.800 0.034 0.000 2.402 213 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 213 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 213 G C 1.798 176.715 174.900 0.029 0.000 1.162 213 G CA 0.816 45.937 45.100 0.035 0.000 0.777 213 G HN 0.948 nan 8.290 nan 0.000 0.539 214 S N -0.144 115.571 115.700 0.025 0.000 2.419 214 S HA -0.024 4.446 4.470 -0.000 0.000 0.233 214 S C 2.013 176.624 174.600 0.020 0.000 1.016 214 S CA 1.501 59.714 58.200 0.021 0.000 0.974 214 S CB -0.083 63.127 63.200 0.018 0.000 0.786 214 S HN 0.156 nan 8.310 nan 0.000 0.492 215 V N 0.349 120.274 119.914 0.020 0.000 2.735 215 V HA 0.133 4.253 4.120 -0.000 0.000 0.234 215 V C 2.475 178.580 176.094 0.019 0.000 1.121 215 V CA 0.669 62.980 62.300 0.018 0.000 1.160 215 V CB -0.510 31.322 31.823 0.015 0.000 0.908 215 V HN 0.369 nan 8.190 nan 0.000 0.495 216 V N 1.464 121.391 119.914 0.021 0.000 2.270 216 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 216 V C 2.703 178.811 176.094 0.025 0.000 1.043 216 V CA 2.415 64.729 62.300 0.022 0.000 1.014 216 V CB -1.409 30.429 31.823 0.025 0.000 0.645 216 V HN 0.596 nan 8.190 nan 0.000 0.447 217 G N -0.746 108.071 108.800 0.029 0.000 2.446 217 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.217 217 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.217 217 G C 1.545 176.462 174.900 0.028 0.000 1.168 217 G CA 1.238 46.357 45.100 0.031 0.000 0.771 217 G HN 0.499 nan 8.290 nan 0.000 0.551 218 Q N 0.276 120.092 119.800 0.027 0.000 2.124 218 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 218 Q C 2.605 178.621 176.000 0.027 0.000 0.977 218 Q CA 2.165 57.984 55.803 0.026 0.000 0.850 218 Q CB -0.725 28.027 28.738 0.024 0.000 0.901 218 Q HN 0.407 nan 8.270 nan 0.000 0.429 219 T N 1.000 115.568 114.554 0.023 0.000 2.720 219 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 219 T C 1.688 176.399 174.700 0.018 0.000 1.037 219 T CA 1.512 63.624 62.100 0.021 0.000 1.144 219 T CB -0.299 68.578 68.868 0.015 0.000 0.864 219 T HN 0.257 nan 8.240 nan 0.000 0.444 220 L N 0.386 121.619 121.223 0.017 0.000 2.083 220 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 220 L C 2.785 179.665 176.870 0.017 0.000 1.083 220 L CA 0.954 55.802 54.840 0.014 0.000 0.752 220 L CB -0.819 41.251 42.059 0.019 0.000 0.899 220 L HN 0.362 nan 8.230 nan 0.000 0.433 221 C N -0.510 118.805 119.300 0.025 0.000 2.464 221 C HA -0.050 4.410 4.460 -0.000 0.000 0.278 221 C C 2.590 177.606 174.990 0.045 0.000 1.375 221 C CA 0.232 59.267 59.018 0.027 0.000 1.761 221 C CB -0.626 27.129 27.740 0.025 0.000 1.944 221 C HN 0.492 nan 8.230 nan 0.000 0.509 222 E N 0.567 120.799 120.200 0.054 0.000 2.170 222 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 222 E C 1.143 177.813 176.600 0.117 0.000 0.981 222 E CA 0.190 56.649 56.400 0.099 0.000 0.830 222 E CB 0.012 29.760 29.700 0.079 0.000 0.775 222 E HN 0.464 nan 8.360 nan 0.000 0.470 223 S N 1.715 117.429 115.700 0.022 0.000 2.549 223 S HA 0.012 4.482 4.470 -0.000 0.000 0.286 223 S C -1.562 172.893 174.600 -0.242 0.000 1.314 223 S CA -1.246 56.910 58.200 -0.073 0.000 1.062 223 S CB 0.814 63.977 63.200 -0.062 0.000 0.865 223 S HN -0.061 nan 8.310 nan 0.000 0.498 224 P HA 0.035 nan 4.420 nan 0.000 0.233 224 P C 1.262 178.347 177.300 -0.358 0.000 1.167 224 P CA 0.643 63.243 63.100 -0.834 0.000 0.770 224 P CB -0.045 30.971 31.700 -1.140 0.000 0.837 225 I N -0.402 120.038 120.570 -0.216 0.000 2.394 225 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 225 I C 0.714 176.784 176.117 -0.079 0.000 1.136 225 I CA 0.845 62.073 61.300 -0.119 0.000 1.425 225 I CB -1.070 36.881 38.000 -0.082 0.000 1.079 225 I HN -0.109 nan 8.210 nan 0.000 0.425 226 T N 2.702 117.211 114.554 -0.074 0.000 2.853 226 T HA 0.055 4.405 4.350 -0.000 0.000 0.298 226 T C 1.023 175.710 174.700 -0.022 0.000 0.978 226 T CA -0.043 62.038 62.100 -0.031 0.000 1.152 226 T CB 0.923 69.781 68.868 -0.016 0.000 0.914 226 T HN 0.092 nan 8.240 nan 0.000 0.539 227 K N 2.192 122.594 120.400 0.003 0.000 2.374 227 K HA 0.367 4.687 4.320 -0.000 0.000 0.202 227 K C 0.078 176.690 176.600 0.020 0.000 1.040 227 K CA 0.094 56.390 56.287 0.014 0.000 1.085 227 K CB 0.574 33.089 32.500 0.026 0.000 0.873 227 K HN 0.631 nan 8.250 nan 0.000 0.539 228 M N 0.360 119.972 119.600 0.020 0.000 2.569 228 M HA 0.306 4.786 4.480 -0.000 0.000 0.287 228 M C -1.979 174.331 176.300 0.016 0.000 1.130 228 M CA -0.424 54.880 55.300 0.007 0.000 0.885 228 M CB 1.649 34.252 32.600 0.005 0.000 1.759 228 M HN -0.121 nan 8.290 nan 0.000 0.515 229 I N 2.352 122.923 120.570 0.001 0.000 2.411 229 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 229 I C -0.251 175.882 176.117 0.027 0.000 1.012 229 I CA -0.521 60.791 61.300 0.020 0.000 1.119 229 I CB 2.068 40.075 38.000 0.012 0.000 1.261 229 I HN 0.598 nan 8.210 nan 0.000 0.448 230 T N 7.792 122.381 114.554 0.058 0.000 2.749 230 T HA 0.574 4.924 4.350 -0.000 0.000 0.287 230 T C -0.618 174.128 174.700 0.077 0.000 0.970 230 T CA -0.421 61.723 62.100 0.074 0.000 0.980 230 T CB 0.627 69.577 68.868 0.136 0.000 0.924 230 T HN 0.504 nan 8.240 nan 0.000 0.456 231 M N 4.549 124.192 119.600 0.072 0.000 2.386 231 M HA 0.467 4.947 4.480 -0.000 0.000 0.293 231 M C -1.451 174.884 176.300 0.058 0.000 1.120 231 M CA -0.306 55.031 55.300 0.061 0.000 0.909 231 M CB 2.135 34.768 32.600 0.055 0.000 1.661 231 M HN 0.620 nan 8.290 nan 0.000 0.452 232 T N 2.870 117.448 114.554 0.041 0.000 2.829 232 T HA 0.919 5.269 4.350 -0.000 0.000 0.280 232 T C 0.031 174.722 174.700 -0.014 0.000 0.999 232 T CA -0.106 62.009 62.100 0.025 0.000 0.983 232 T CB 1.838 70.723 68.868 0.030 0.000 0.968 232 T HN 1.002 nan 8.240 nan 0.000 0.446 233 G N 1.525 110.295 108.800 -0.050 0.000 2.404 233 G HA2 0.410 4.370 3.960 -0.000 0.000 0.253 233 G HA3 0.410 4.370 3.960 -0.000 0.000 0.253 233 G C -0.617 174.202 174.900 -0.135 0.000 1.253 233 G CA -0.243 44.787 45.100 -0.116 0.000 0.917 233 G HN 1.009 nan 8.290 nan 0.000 0.480 234 S N -0.724 114.903 115.700 -0.122 0.000 2.603 234 S HA 0.454 4.924 4.470 -0.000 0.000 0.268 234 S C 1.772 176.357 174.600 -0.024 0.000 1.317 234 S CA 1.134 59.271 58.200 -0.106 0.000 1.012 234 S CB 1.374 64.528 63.200 -0.077 0.000 0.926 234 S HN 2.001 nan 8.310 nan 0.000 0.539 235 T N -0.038 114.526 114.554 0.018 0.000 2.788 235 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 235 T C 1.666 176.388 174.700 0.035 0.000 1.044 235 T CA 1.445 63.580 62.100 0.059 0.000 1.139 235 T CB -0.992 67.956 68.868 0.133 0.000 0.867 235 T HN 0.441 nan 8.240 nan 0.000 0.454 236 V N 2.312 122.244 119.914 0.029 0.000 2.343 236 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 236 V C 3.319 179.425 176.094 0.020 0.000 1.051 236 V CA 1.688 63.999 62.300 0.020 0.000 1.036 236 V CB -1.556 30.279 31.823 0.020 0.000 0.654 236 V HN 0.719 nan 8.190 nan 0.000 0.451 237 A N 0.597 123.428 122.820 0.019 0.000 1.898 237 A HA -0.020 4.299 4.320 -0.000 0.000 0.216 237 A C 2.422 180.026 177.584 0.033 0.000 1.181 237 A CA 1.779 53.830 52.037 0.024 0.000 0.620 237 A CB -1.178 17.834 19.000 0.020 0.000 0.819 237 A HN 0.514 nan 8.150 nan 0.000 0.442 238 G N -0.232 108.590 108.800 0.036 0.000 2.418 238 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 238 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 238 G C 1.654 176.596 174.900 0.070 0.000 1.158 238 G CA 1.061 46.196 45.100 0.058 0.000 0.771 238 G HN 0.551 nan 8.290 nan 0.000 0.545 239 K N -0.280 120.144 120.400 0.039 0.000 2.152 239 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 239 K C 2.561 179.190 176.600 0.050 0.000 1.048 239 K CA 0.980 57.277 56.287 0.017 0.000 0.933 239 K CB -0.084 32.404 32.500 -0.022 0.000 0.721 239 K HN 0.246 nan 8.250 nan 0.000 0.447 240 Q N 0.668 120.494 119.800 0.043 0.000 2.172 240 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 240 Q C 2.025 178.055 176.000 0.051 0.000 0.964 240 Q CA 0.925 56.752 55.803 0.040 0.000 0.855 240 Q CB 0.135 28.890 28.738 0.028 0.000 0.918 240 Q HN 0.384 nan 8.270 nan 0.000 0.444 241 I N -0.283 120.321 120.570 0.057 0.000 2.252 241 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 241 I C 2.168 178.307 176.117 0.038 0.000 1.102 241 I CA 0.964 62.290 61.300 0.044 0.000 1.385 241 I CB -0.405 37.621 38.000 0.044 0.000 1.064 241 I HN 0.190 nan 8.210 nan 0.000 0.414 242 Y N 2.212 122.472 120.300 -0.067 0.000 2.128 242 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 242 Y C 2.502 178.341 175.900 -0.101 0.000 1.154 242 Y CA 1.780 59.807 58.100 -0.122 0.000 1.149 242 Y CB -0.203 38.156 38.460 -0.169 0.000 0.976 242 Y HN -0.004 nan 8.280 nan 0.000 0.505 243 K N -1.059 119.445 120.400 0.174 0.000 2.063 243 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 243 K C 1.957 178.562 176.600 0.009 0.000 1.048 243 K CA 1.997 58.336 56.287 0.087 0.000 0.928 243 K CB -0.470 32.065 32.500 0.058 0.000 0.713 243 K HN 0.274 nan 8.250 nan 0.000 0.442 244 T N 0.978 115.534 114.554 0.004 0.000 2.788 244 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 244 T C 2.076 176.760 174.700 -0.026 0.000 1.044 244 T CA 1.740 63.836 62.100 -0.005 0.000 1.139 244 T CB -0.290 68.585 68.868 0.011 0.000 0.867 244 T HN 0.385 nan 8.240 nan 0.000 0.454 245 S N 1.703 117.359 115.700 -0.073 0.000 2.474 245 S HA 0.128 4.598 4.470 -0.000 0.000 0.235 245 S C 2.345 176.874 174.600 -0.119 0.000 0.997 245 S CA 0.674 58.813 58.200 -0.102 0.000 0.949 245 S CB -0.493 62.585 63.200 -0.204 0.000 0.766 245 S HN 0.498 nan 8.310 nan 0.000 0.517 246 A N 1.961 124.703 122.820 -0.130 0.000 1.917 246 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 246 A C 2.159 179.668 177.584 -0.125 0.000 1.182 246 A CA 1.949 53.915 52.037 -0.119 0.000 0.633 246 A CB -0.965 17.987 19.000 -0.080 0.000 0.819 246 A HN 0.567 nan 8.150 nan 0.000 0.448 247 E N -0.677 119.428 120.200 -0.158 0.000 2.023 247 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 247 E C 1.114 177.443 176.600 -0.451 0.000 1.003 247 E CA 1.811 58.011 56.400 -0.334 0.000 0.809 247 E CB -0.405 29.030 29.700 -0.442 0.000 0.755 247 E HN 0.709 nan 8.360 nan 0.000 0.449 248 Y N -0.663 119.615 120.300 -0.037 0.000 2.493 248 Y HA 0.351 4.901 4.550 -0.000 0.000 0.275 248 Y C 0.183 176.059 175.900 -0.040 0.000 1.183 248 Y CA 0.082 58.163 58.100 -0.031 0.000 1.258 248 Y CB -0.186 38.260 38.460 -0.025 0.000 1.108 248 Y HN -0.047 nan 8.280 nan 0.000 0.521 249 M N 0.890 120.500 119.600 0.017 0.000 2.303 249 M HA -0.227 4.253 4.480 -0.000 0.000 0.189 249 M C -0.685 175.607 176.300 -0.015 0.000 0.688 249 M CA 0.728 56.013 55.300 -0.026 0.000 0.479 249 M CB -1.530 31.058 32.600 -0.021 0.000 1.094 249 M HN 0.113 nan 8.290 nan 0.000 0.907 250 T N 1.684 116.224 114.554 -0.023 0.000 2.749 250 T HA 0.406 4.756 4.350 -0.000 0.000 0.295 250 T C -2.025 172.632 174.700 -0.071 0.000 0.936 250 T CA -1.075 61.014 62.100 -0.017 0.000 1.060 250 T CB 0.737 69.609 68.868 0.007 0.000 0.904 250 T HN 0.165 nan 8.240 nan 0.000 0.500 251 P HA 0.118 nan 4.420 nan 0.000 0.262 251 P C -0.456 176.816 177.300 -0.048 0.000 1.182 251 P CA -0.207 62.871 63.100 -0.036 0.000 0.761 251 P CB 0.179 31.875 31.700 -0.007 0.000 0.795 252 V N 1.343 121.229 119.914 -0.047 0.000 2.628 252 V HA 0.709 4.829 4.120 -0.000 0.000 0.306 252 V C -0.477 175.699 176.094 0.137 0.000 1.045 252 V CA -1.031 61.266 62.300 -0.005 0.000 0.905 252 V CB 2.226 33.998 31.823 -0.085 0.000 0.997 252 V HN 0.499 nan 8.190 nan 0.000 0.436 253 M N 5.712 125.374 119.600 0.103 0.000 2.190 253 M HA 0.695 5.175 4.480 -0.000 0.000 0.312 253 M C -2.254 174.131 176.300 0.142 0.000 0.990 253 M CA -0.559 54.827 55.300 0.142 0.000 0.927 253 M CB 1.466 34.093 32.600 0.046 0.000 1.571 253 M HN 0.807 nan 8.290 nan 0.000 0.427 254 L N 4.560 125.896 121.223 0.189 0.000 2.409 254 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 254 L C -0.839 176.104 176.870 0.121 0.000 0.980 254 L CA -0.759 54.173 54.840 0.154 0.000 0.826 254 L CB 2.066 44.239 42.059 0.190 0.000 1.268 254 L HN 0.595 nan 8.230 nan 0.000 0.407 255 E N 4.640 124.893 120.200 0.087 0.000 2.218 255 E HA 0.674 5.024 4.350 -0.000 0.000 0.263 255 E C -0.845 175.784 176.600 0.049 0.000 0.879 255 E CA -0.304 56.135 56.400 0.065 0.000 0.762 255 E CB 2.828 32.587 29.700 0.098 0.000 1.166 255 E HN 0.472 nan 8.360 nan 0.000 0.415 256 L N -0.026 121.217 121.223 0.033 0.000 2.426 256 L HA 0.702 5.042 4.340 -0.000 0.000 0.260 256 L C 1.133 177.986 176.870 -0.027 0.000 1.233 256 L CA -1.380 53.465 54.840 0.009 0.000 1.267 256 L CB 0.150 42.239 42.059 0.050 0.000 1.814 256 L HN 0.472 nan 8.230 nan 0.000 0.561 257 G N -1.291 107.476 108.800 -0.055 0.000 2.667 257 G HA2 0.496 4.456 3.960 -0.000 0.000 0.250 257 G HA3 0.496 4.456 3.960 -0.000 0.000 0.250 257 G C -0.459 174.243 174.900 -0.329 0.000 1.212 257 G CA 0.336 45.297 45.100 -0.232 0.000 0.874 257 G HN 0.790 nan 8.290 nan 0.000 0.561 258 G N -1.222 107.272 108.800 -0.510 0.000 2.695 258 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 258 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 258 G C -1.063 173.524 174.900 -0.522 0.000 1.410 258 G CA -0.705 44.128 45.100 -0.444 0.000 0.844 258 G HN 0.567 nan 8.290 nan 0.000 0.478 259 K N 0.344 120.634 120.400 -0.184 0.000 3.084 259 K HA 0.596 4.916 4.320 -0.000 0.000 0.172 259 K C 0.271 176.909 176.600 0.063 0.000 1.078 259 K CA -0.359 55.916 56.287 -0.021 0.000 0.875 259 K CB 0.377 32.962 32.500 0.142 0.000 1.064 259 K HN 0.742 nan 8.250 nan 0.000 0.597 260 A N 3.047 125.907 122.820 0.067 0.000 2.515 260 A HA 0.293 4.613 4.320 -0.000 0.000 0.263 260 A C -2.233 175.454 177.584 0.171 0.000 1.096 260 A CA -0.752 51.359 52.037 0.123 0.000 0.769 260 A CB -0.421 18.697 19.000 0.196 0.000 1.040 260 A HN 0.383 nan 8.150 nan 0.000 0.505 261 P HA 0.347 nan 4.420 nan 0.000 0.286 261 P C -0.567 176.919 177.300 0.310 0.000 1.261 261 P CA -0.448 62.806 63.100 0.258 0.000 0.821 261 P CB 1.235 33.160 31.700 0.375 0.000 1.013 262 M N 3.097 122.857 119.600 0.266 0.000 2.364 262 M HA 0.414 4.894 4.480 -0.000 0.000 0.334 262 M C -1.546 174.889 176.300 0.225 0.000 1.107 262 M CA -0.817 54.638 55.300 0.258 0.000 0.988 262 M CB 1.450 34.128 32.600 0.130 0.000 1.673 262 M HN -0.006 nan 8.290 nan 0.000 0.441 263 V N 5.320 125.359 119.914 0.208 0.000 2.435 263 V HA 0.485 4.605 4.120 -0.000 0.000 0.290 263 V C -0.661 175.495 176.094 0.103 0.000 1.030 263 V CA -0.732 61.666 62.300 0.163 0.000 0.881 263 V CB 1.651 33.542 31.823 0.113 0.000 0.983 263 V HN 0.687 nan 8.190 nan 0.000 0.445 264 V N 5.917 125.838 119.914 0.012 0.000 2.326 264 V HA 0.408 4.528 4.120 -0.000 0.000 0.281 264 V C 0.229 176.325 176.094 0.003 0.000 1.015 264 V CA -0.380 61.890 62.300 -0.051 0.000 0.823 264 V CB 1.296 32.903 31.823 -0.360 0.000 1.009 264 V HN 0.744 nan 8.190 nan 0.000 0.436 265 M N 2.794 122.417 119.600 0.038 0.000 2.245 265 M HA 0.276 4.756 4.480 -0.000 0.000 0.292 265 M C 1.376 177.649 176.300 -0.045 0.000 1.176 265 M CA -0.286 55.015 55.300 0.002 0.000 1.035 265 M CB 0.866 33.448 32.600 -0.029 0.000 1.440 265 M HN 0.790 nan 8.290 nan 0.000 0.494 266 D N 0.135 120.393 120.400 -0.236 0.000 2.309 266 D HA -0.179 4.461 4.640 -0.000 0.000 0.212 266 D C 0.457 176.709 176.300 -0.080 0.000 0.968 266 D CA 1.044 54.919 54.000 -0.208 0.000 0.882 266 D CB -0.605 39.910 40.800 -0.475 0.000 0.918 266 D HN 0.563 nan 8.370 nan 0.000 0.503 267 D N -0.468 119.897 120.400 -0.057 0.000 2.501 267 D HA 0.358 4.998 4.640 -0.000 0.000 0.226 267 D C 0.232 176.555 176.300 0.038 0.000 1.198 267 D CA -0.672 53.324 54.000 -0.006 0.000 0.830 267 D CB -0.155 40.638 40.800 -0.012 0.000 1.014 267 D HN 0.263 nan 8.370 nan 0.000 0.496 268 A N 0.217 123.071 122.820 0.057 0.000 2.304 268 A HA 0.314 4.634 4.320 -0.000 0.000 0.271 268 A C 0.175 177.818 177.584 0.098 0.000 1.091 268 A CA -0.581 51.521 52.037 0.109 0.000 0.812 268 A CB 0.422 19.495 19.000 0.122 0.000 1.056 268 A HN 0.150 nan 8.150 nan 0.000 0.489 269 D N 1.831 122.306 120.400 0.124 0.000 2.383 269 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 269 D C 0.787 177.117 176.300 0.051 0.000 1.263 269 D CA -0.316 53.736 54.000 0.087 0.000 0.936 269 D CB 0.375 41.238 40.800 0.105 0.000 1.053 269 D HN 0.266 nan 8.370 nan 0.000 0.507 270 L N 3.776 125.037 121.223 0.064 0.000 2.127 270 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 270 L C 1.885 178.756 176.870 0.001 0.000 1.089 270 L CA 1.419 56.314 54.840 0.091 0.000 0.757 270 L CB -0.501 41.624 42.059 0.109 0.000 0.899 270 L HN 0.469 nan 8.230 nan 0.000 0.434 271 D N -1.016 119.377 120.400 -0.012 0.000 2.149 271 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 271 D C 2.091 178.375 176.300 -0.027 0.000 0.972 271 D CA 0.858 54.838 54.000 -0.034 0.000 0.835 271 D CB 0.335 41.130 40.800 -0.008 0.000 0.966 271 D HN 0.248 nan 8.370 nan 0.000 0.476 272 K N 0.956 121.350 120.400 -0.010 0.000 2.062 272 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 272 K C 2.060 178.582 176.600 -0.130 0.000 1.051 272 K CA 0.879 57.175 56.287 0.015 0.000 0.941 272 K CB -0.004 32.567 32.500 0.119 0.000 0.719 272 K HN -0.038 nan 8.250 nan 0.000 0.440 273 A N 0.830 123.427 122.820 -0.371 0.000 1.902 273 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 273 A C 2.308 179.836 177.584 -0.094 0.000 1.181 273 A CA 1.999 53.712 52.037 -0.540 0.000 0.623 273 A CB -0.932 17.881 19.000 -0.311 0.000 0.818 273 A HN 0.396 nan 8.150 nan 0.000 0.443 274 A N -0.745 122.020 122.820 -0.092 0.000 1.877 274 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 274 A C 2.049 179.626 177.584 -0.011 0.000 1.186 274 A CA 1.670 53.578 52.037 -0.215 0.000 0.620 274 A CB -0.518 18.261 19.000 -0.368 0.000 0.822 274 A HN 0.596 nan 8.150 nan 0.000 0.443 275 E N -0.486 119.717 120.200 0.004 0.000 2.150 275 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 275 E C 1.153 177.839 176.600 0.143 0.000 0.985 275 E CA 1.206 57.654 56.400 0.080 0.000 0.814 275 E CB -0.075 29.706 29.700 0.135 0.000 0.752 275 E HN 0.526 nan 8.360 nan 0.000 0.466 276 D N -0.051 120.405 120.400 0.093 0.000 2.123 276 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 276 D C 1.762 178.076 176.300 0.024 0.000 0.976 276 D CA 1.198 55.256 54.000 0.096 0.000 0.831 276 D CB -0.230 40.667 40.800 0.161 0.000 0.974 276 D HN 0.176 nan 8.370 nan 0.000 0.469 277 A N 0.666 123.480 122.820 -0.010 0.000 1.933 277 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 277 A C 2.170 179.841 177.584 0.146 0.000 1.175 277 A CA 0.985 52.995 52.037 -0.044 0.000 0.628 277 A CB -0.735 18.108 19.000 -0.261 0.000 0.814 277 A HN 0.251 nan 8.150 nan 0.000 0.444 278 L N -1.425 119.953 121.223 0.258 0.000 1.970 278 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 278 L C 2.276 179.166 176.870 0.035 0.000 1.071 278 L CA 2.161 57.117 54.840 0.192 0.000 0.751 278 L CB -0.587 41.338 42.059 -0.224 0.000 0.889 278 L HN 0.598 nan 8.230 nan 0.000 0.432 279 W N -0.658 120.741 121.300 0.165 0.000 2.518 279 W HA 0.117 4.777 4.660 -0.000 0.000 0.273 279 W C 2.374 178.903 176.519 0.017 0.000 1.247 279 W CA 0.485 57.891 57.345 0.101 0.000 1.288 279 W CB -0.728 28.762 29.460 0.051 0.000 1.107 279 W HN 0.303 nan 8.180 nan 0.000 0.586 280 G N 1.001 109.872 108.800 0.118 0.000 2.491 280 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 280 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 280 G C 1.441 176.282 174.900 -0.097 0.000 1.180 280 G CA 1.584 46.629 45.100 -0.093 0.000 0.774 280 G HN 0.135 nan 8.290 nan 0.000 0.562 281 R N -0.130 120.280 120.500 -0.150 0.000 2.073 281 R HA 0.137 4.477 4.340 -0.000 0.000 0.229 281 R C 1.919 177.971 176.300 -0.413 0.000 1.120 281 R CA 1.262 57.119 56.100 -0.404 0.000 0.967 281 R CB -0.572 29.274 30.300 -0.758 0.000 0.862 281 R HN 0.408 nan 8.270 nan 0.000 0.436 282 F N 0.134 120.119 119.950 0.058 0.000 2.721 282 F HA 0.481 5.008 4.527 -0.000 0.000 0.301 282 F C 0.831 176.738 175.800 0.178 0.000 1.096 282 F CA -0.185 57.851 58.000 0.059 0.000 1.308 282 F CB 0.116 39.083 39.000 -0.055 0.000 1.086 282 F HN 0.027 nan 8.300 nan 0.000 0.587 283 A N 0.624 123.695 122.820 0.419 0.000 2.483 283 A HA 0.098 4.418 4.320 -0.000 0.000 0.238 283 A C 1.133 178.843 177.584 0.210 0.000 1.070 283 A CA 0.176 52.436 52.037 0.371 0.000 0.770 283 A CB -0.312 18.868 19.000 0.300 0.000 1.008 283 A HN 0.522 nan 8.150 nan 0.000 0.497 284 N N -1.306 117.500 118.700 0.177 0.000 2.681 284 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 284 N C 0.345 175.858 175.510 0.006 0.000 1.133 284 N CA 1.581 54.668 53.050 0.061 0.000 0.732 284 N CB -1.915 36.583 38.487 0.018 0.000 1.107 284 N HN 1.856 nan 8.380 nan 0.000 0.559 285 C N -1.980 117.373 119.300 0.088 0.000 4.454 285 C HA -0.019 4.441 4.460 -0.000 0.000 0.298 285 C C 1.660 176.651 174.990 0.001 0.000 1.384 285 C CA 1.455 60.528 59.018 0.092 0.000 2.002 285 C CB -2.062 25.711 27.740 0.056 0.000 1.249 285 C HN 1.756 nan 8.230 nan 0.000 0.783 286 G N -0.113 108.659 108.800 -0.046 0.000 2.179 286 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 286 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 286 G C 0.064 174.722 174.900 -0.403 0.000 0.977 286 G CA 0.709 45.703 45.100 -0.177 0.000 0.641 286 G HN 1.063 nan 8.290 nan 0.000 0.533 287 Q N 0.419 119.904 119.800 -0.526 0.000 3.207 287 Q HA 0.499 4.839 4.340 -0.000 0.000 0.335 287 Q C -0.409 175.104 176.000 -0.812 0.000 1.374 287 Q CA -0.044 55.024 55.803 -1.224 0.000 1.023 287 Q CB 0.956 29.297 28.738 -0.662 0.000 1.576 287 Q HN 0.366 nan 8.270 nan 0.000 0.515 288 V N -0.915 118.742 119.914 -0.428 0.000 2.808 288 V HA 0.093 4.213 4.120 -0.000 0.000 0.308 288 V C 0.529 176.796 176.094 0.288 0.000 1.099 288 V CA -0.905 61.479 62.300 0.139 0.000 0.920 288 V CB 1.752 33.703 31.823 0.212 0.000 1.014 288 V HN 0.544 nan 8.190 nan 0.000 0.425 289 C N 1.493 121.024 119.300 0.387 0.000 2.472 289 C HA -0.055 4.405 4.460 -0.000 0.000 0.278 289 C C 2.505 177.606 174.990 0.185 0.000 1.447 289 C CA 1.235 60.411 59.018 0.263 0.000 1.773 289 C CB -1.323 26.509 27.740 0.153 0.000 1.793 289 C HN 1.056 nan 8.230 nan 0.000 0.544 290 T N -3.268 111.412 114.554 0.209 0.000 3.081 290 T HA 0.057 4.407 4.350 -0.000 0.000 0.255 290 T C 0.639 175.459 174.700 0.200 0.000 1.113 290 T CA -0.002 62.229 62.100 0.218 0.000 1.082 290 T CB -0.630 68.377 68.868 0.231 0.000 0.939 290 T HN 0.444 nan 8.240 nan 0.000 0.506 291 C N 2.719 122.088 119.300 0.114 0.000 2.597 291 C HA 0.191 4.651 4.460 -0.000 0.000 0.412 291 C C 1.113 176.125 174.990 0.037 0.000 1.348 291 C CA -0.996 58.037 59.018 0.026 0.000 1.769 291 C CB -0.604 27.116 27.740 -0.033 0.000 2.641 291 C HN 0.433 nan 8.230 nan 0.000 0.612 292 V N 5.979 125.861 119.914 -0.054 0.000 2.458 292 V HA 0.004 4.124 4.120 -0.000 0.000 0.287 292 V C 1.191 177.249 176.094 -0.061 0.000 1.009 292 V CA 1.016 63.295 62.300 -0.036 0.000 1.091 292 V CB 0.208 31.951 31.823 -0.134 0.000 0.960 292 V HN 0.878 nan 8.190 nan 0.000 0.476 293 E N 4.846 125.036 120.200 -0.016 0.000 2.489 293 E HA 0.159 4.509 4.350 -0.000 0.000 0.204 293 E C 0.359 176.925 176.600 -0.057 0.000 1.006 293 E CA 0.035 56.413 56.400 -0.037 0.000 0.936 293 E CB 0.644 30.341 29.700 -0.005 0.000 1.002 293 E HN 0.836 nan 8.360 nan 0.000 0.488 294 R N -0.123 120.332 120.500 -0.074 0.000 2.633 294 R HA 0.458 4.798 4.340 -0.000 0.000 0.255 294 R C -1.542 174.610 176.300 -0.247 0.000 1.106 294 R CA -0.807 55.185 56.100 -0.178 0.000 0.959 294 R CB 0.667 30.849 30.300 -0.197 0.000 1.259 294 R HN -0.102 nan 8.270 nan 0.000 0.453 295 L N 2.581 123.586 121.223 -0.363 0.000 2.376 295 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 295 L C -1.770 174.850 176.870 -0.417 0.000 0.987 295 L CA -0.744 53.921 54.840 -0.291 0.000 0.828 295 L CB 1.478 43.417 42.059 -0.199 0.000 1.249 295 L HN 0.656 nan 8.230 nan 0.000 0.409 296 Y N 4.647 124.931 120.300 -0.026 0.000 2.342 296 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 296 Y C -0.148 175.705 175.900 -0.079 0.000 0.965 296 Y CA -0.797 57.303 58.100 -0.001 0.000 1.159 296 Y CB 1.670 40.163 38.460 0.055 0.000 1.157 296 Y HN 0.303 nan 8.280 nan 0.000 0.486 297 V N 3.542 123.478 119.914 0.038 0.000 2.417 297 V HA 0.156 4.276 4.120 -0.000 0.000 0.291 297 V C 0.137 176.280 176.094 0.083 0.000 1.024 297 V CA -1.063 61.206 62.300 -0.052 0.000 0.861 297 V CB 1.071 32.797 31.823 -0.161 0.000 0.985 297 V HN 0.727 nan 8.190 nan 0.000 0.436 298 H N 3.233 122.303 119.070 0.000 0.000 2.972 298 H HA 0.088 4.644 4.556 -0.000 0.000 0.343 298 H C 1.294 176.658 175.328 0.059 0.000 1.054 298 H CA 0.596 56.657 56.048 0.021 0.000 1.412 298 H CB 1.676 31.442 29.762 0.007 0.000 1.385 298 H HN 0.838 nan 8.280 nan 0.000 0.600 299 A N 3.892 126.499 122.820 -0.355 0.000 1.892 299 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 299 A C 2.513 180.142 177.584 0.074 0.000 1.188 299 A CA 2.057 54.003 52.037 -0.150 0.000 0.631 299 A CB -0.745 18.103 19.000 -0.252 0.000 0.822 299 A HN 0.745 nan 8.150 nan 0.000 0.447 300 S N -1.057 114.777 115.700 0.223 0.000 2.469 300 S HA -0.062 4.408 4.470 -0.000 0.000 0.238 300 S C 1.439 176.165 174.600 0.210 0.000 0.998 300 S CA 1.494 59.845 58.200 0.252 0.000 0.957 300 S CB -0.271 63.114 63.200 0.308 0.000 0.764 300 S HN 0.939 nan 8.310 nan 0.000 0.514 301 V N -2.597 117.459 119.914 0.236 0.000 3.432 301 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 301 V C 1.297 177.517 176.094 0.211 0.000 1.464 301 V CA -0.472 61.941 62.300 0.187 0.000 1.046 301 V CB -1.245 30.669 31.823 0.151 0.000 0.887 301 V HN 0.360 nan 8.190 nan 0.000 0.441 302 Y N 2.732 123.092 120.300 0.100 0.000 2.081 302 Y HA -0.257 4.293 4.550 -0.000 0.000 0.280 302 Y C 2.298 178.291 175.900 0.155 0.000 1.163 302 Y CA 2.586 60.749 58.100 0.104 0.000 1.135 302 Y CB -0.043 38.453 38.460 0.060 0.000 0.970 302 Y HN 0.306 nan 8.280 nan 0.000 0.498 303 D N -0.010 120.472 120.400 0.136 0.000 2.117 303 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 303 D C 1.922 178.226 176.300 0.007 0.000 0.987 303 D CA 1.892 55.918 54.000 0.043 0.000 0.829 303 D CB -0.464 40.402 40.800 0.111 0.000 0.961 303 D HN 0.759 nan 8.370 nan 0.000 0.460 304 E N 0.229 120.463 120.200 0.057 0.000 2.107 304 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 304 E C 2.149 178.772 176.600 0.038 0.000 0.982 304 E CA 0.322 56.747 56.400 0.042 0.000 0.809 304 E CB -0.676 29.056 29.700 0.055 0.000 0.756 304 E HN 0.232 nan 8.360 nan 0.000 0.459 305 F N 1.886 121.797 119.950 -0.065 0.000 2.069 305 F HA -0.189 4.337 4.527 -0.000 0.000 0.298 305 F C 2.333 178.092 175.800 -0.068 0.000 1.113 305 F CA 1.586 59.540 58.000 -0.076 0.000 1.214 305 F CB -0.052 38.887 39.000 -0.101 0.000 0.978 305 F HN -0.089 nan 8.300 nan 0.000 0.474 306 M N 0.496 120.108 119.600 0.019 0.000 2.149 306 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 306 M C 2.466 178.711 176.300 -0.091 0.000 1.064 306 M CA 1.597 56.859 55.300 -0.062 0.000 1.102 306 M CB -2.053 30.373 32.600 -0.289 0.000 1.369 306 M HN 0.355 nan 8.290 nan 0.000 0.408 307 A N -0.298 122.467 122.820 -0.092 0.000 1.933 307 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 307 A C 2.329 179.844 177.584 -0.115 0.000 1.175 307 A CA 1.729 53.716 52.037 -0.084 0.000 0.628 307 A CB -0.410 18.557 19.000 -0.054 0.000 0.814 307 A HN 0.454 nan 8.150 nan 0.000 0.444 308 K N -1.850 118.455 120.400 -0.158 0.000 2.076 308 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 308 K C 1.727 178.202 176.600 -0.208 0.000 1.051 308 K CA 1.171 57.345 56.287 -0.189 0.000 0.949 308 K CB -0.255 32.105 32.500 -0.234 0.000 0.726 308 K HN 0.432 nan 8.250 nan 0.000 0.443 309 F N 1.308 120.967 119.950 -0.485 0.000 2.098 309 F HA -0.114 4.413 4.527 -0.000 0.000 0.294 309 F C 1.765 177.409 175.800 -0.260 0.000 1.107 309 F CA 0.877 58.596 58.000 -0.468 0.000 1.234 309 F CB -0.421 38.185 39.000 -0.656 0.000 1.002 309 F HN -0.129 nan 8.300 nan 0.000 0.472 310 L N 1.095 122.109 121.223 -0.349 0.000 2.013 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 310 L C -0.652 176.006 176.870 -0.353 0.000 1.073 310 L CA 2.347 56.961 54.840 -0.378 0.000 0.753 310 L CB -2.108 39.839 42.059 -0.187 0.000 0.890 310 L HN 0.047 nan 8.230 nan 0.000 0.432 311 P HA -0.103 nan 4.420 nan 0.000 0.221 311 P C 1.837 178.977 177.300 -0.266 0.000 1.150 311 P CA 0.689 63.653 63.100 -0.226 0.000 0.800 311 P CB 0.108 31.711 31.700 -0.162 0.000 0.787 312 L N -0.976 120.058 121.223 -0.316 0.000 2.046 312 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 312 L C 2.397 178.995 176.870 -0.455 0.000 1.077 312 L CA 1.748 56.386 54.840 -0.338 0.000 0.747 312 L CB -1.597 40.275 42.059 -0.311 0.000 0.896 312 L HN -0.125 nan 8.230 nan 0.000 0.432 313 V N -0.710 118.846 119.914 -0.596 0.000 2.307 313 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 313 V C 2.429 178.218 176.094 -0.508 0.000 1.045 313 V CA 1.640 63.525 62.300 -0.692 0.000 1.024 313 V CB -0.589 30.771 31.823 -0.771 0.000 0.651 313 V HN 0.407 nan 8.190 nan 0.000 0.449 314 K N 0.504 120.678 120.400 -0.377 0.000 2.147 314 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 314 K C 1.950 178.412 176.600 -0.230 0.000 1.049 314 K CA 1.324 57.449 56.287 -0.269 0.000 0.936 314 K CB -0.490 31.885 32.500 -0.208 0.000 0.722 314 K HN 0.551 nan 8.250 nan 0.000 0.446 315 G N 0.565 109.224 108.800 -0.234 0.000 2.920 315 G HA2 0.035 3.995 3.960 -0.000 0.000 0.208 315 G HA3 0.035 3.995 3.960 -0.000 0.000 0.208 315 G C 0.184 174.983 174.900 -0.169 0.000 1.159 315 G CA -0.257 44.738 45.100 -0.175 0.000 0.784 315 G HN 0.049 nan 8.290 nan 0.000 0.535 316 L N 1.049 122.134 121.223 -0.231 0.000 2.418 316 L HA 0.234 4.574 4.340 -0.000 0.000 0.274 316 L C 0.491 177.286 176.870 -0.125 0.000 1.135 316 L CA -0.472 54.248 54.840 -0.199 0.000 0.870 316 L CB 1.015 42.881 42.059 -0.322 0.000 1.154 316 L HN -0.037 nan 8.230 nan 0.000 0.462 317 K N 3.964 124.327 120.400 -0.062 0.000 2.285 317 K HA 0.348 4.668 4.320 -0.000 0.000 0.286 317 K C -0.765 175.825 176.600 -0.016 0.000 1.072 317 K CA -0.458 55.802 56.287 -0.045 0.000 0.913 317 K CB 1.223 33.707 32.500 -0.027 0.000 1.067 317 K HN 0.333 nan 8.250 nan 0.000 0.479 318 V N 3.859 123.756 119.914 -0.028 0.000 2.394 318 V HA 0.943 5.063 4.120 -0.000 0.000 0.282 318 V C -0.073 175.980 176.094 -0.068 0.000 1.031 318 V CA 0.599 62.918 62.300 0.033 0.000 0.881 318 V CB 0.424 32.309 31.823 0.104 0.000 0.982 318 V HN 0.946 nan 8.190 nan 0.000 0.451 319 G N 3.854 112.649 108.800 -0.009 0.000 2.427 319 G HA2 0.242 4.202 3.960 -0.000 0.000 0.306 319 G HA3 0.242 4.202 3.960 -0.000 0.000 0.306 319 G C -1.201 173.641 174.900 -0.097 0.000 1.280 319 G CA -0.404 44.542 45.100 -0.256 0.000 0.837 319 G HN 0.850 nan 8.290 nan 0.000 0.482 320 D N 0.978 121.159 120.400 -0.365 0.000 2.662 320 D HA 0.102 4.742 4.640 -0.000 0.000 0.237 320 D C -0.959 175.275 176.300 -0.110 0.000 1.154 320 D CA -0.901 52.835 54.000 -0.439 0.000 0.861 320 D CB 1.385 41.917 40.800 -0.447 0.000 1.146 320 D HN 0.026 nan 8.370 nan 0.000 0.518 321 P HA -0.032 nan 4.420 nan 0.000 0.245 321 P C 1.131 178.439 177.300 0.013 0.000 1.212 321 P CA 0.365 63.473 63.100 0.013 0.000 0.774 321 P CB 0.183 31.892 31.700 0.017 0.000 0.999 322 M N -1.038 118.566 119.600 0.006 0.000 2.556 322 M HA 0.087 4.567 4.480 -0.000 0.000 0.245 322 M C 0.527 176.846 176.300 0.031 0.000 1.128 322 M CA 0.523 55.844 55.300 0.034 0.000 1.069 322 M CB -0.608 32.029 32.600 0.062 0.000 1.469 322 M HN -0.038 nan 8.290 nan 0.000 0.494 323 D N 0.738 121.145 120.400 0.013 0.000 2.313 323 D HA 0.340 4.980 4.640 -0.000 0.000 0.239 323 D C 0.701 177.010 176.300 0.015 0.000 1.142 323 D CA 0.031 54.040 54.000 0.015 0.000 0.847 323 D CB 1.825 42.625 40.800 -0.001 0.000 1.082 323 D HN 0.132 nan 8.370 nan 0.000 0.480 324 A N 4.147 126.979 122.820 0.019 0.000 2.070 324 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 324 A C 1.452 179.048 177.584 0.019 0.000 1.159 324 A CA 1.036 53.084 52.037 0.018 0.000 0.656 324 A CB 0.040 19.049 19.000 0.016 0.000 0.800 324 A HN 0.588 nan 8.150 nan 0.000 0.453 325 D N 0.216 120.625 120.400 0.015 0.000 2.347 325 D HA 0.030 4.670 4.640 -0.000 0.000 0.213 325 D C 0.126 176.438 176.300 0.019 0.000 0.985 325 D CA 0.360 54.369 54.000 0.014 0.000 0.879 325 D CB 0.010 40.813 40.800 0.005 0.000 0.919 325 D HN 0.265 nan 8.370 nan 0.000 0.526 326 S N 0.981 116.693 115.700 0.021 0.000 2.505 326 S HA 0.101 4.571 4.470 -0.000 0.000 0.276 326 S C 1.120 175.763 174.600 0.072 0.000 1.274 326 S CA -0.291 57.929 58.200 0.033 0.000 1.053 326 S CB 2.018 65.235 63.200 0.028 0.000 0.919 326 S HN 0.064 nan 8.310 nan 0.000 0.490 327 Q N 1.859 121.716 119.800 0.095 0.000 2.302 327 Q HA 0.305 4.645 4.340 -0.000 0.000 0.202 327 Q C 0.280 176.404 176.000 0.207 0.000 0.936 327 Q CA 0.774 56.684 55.803 0.178 0.000 0.886 327 Q CB 0.296 29.143 28.738 0.182 0.000 0.986 327 Q HN 0.684 nan 8.270 nan 0.000 0.487 328 M N -0.765 118.926 119.600 0.151 0.000 2.446 328 M HA 0.537 5.017 4.480 -0.000 0.000 0.294 328 M C -0.559 175.849 176.300 0.180 0.000 1.158 328 M CA -0.702 54.698 55.300 0.166 0.000 0.899 328 M CB 1.740 34.429 32.600 0.148 0.000 1.687 328 M HN 0.156 nan 8.290 nan 0.000 0.455 329 G N 2.575 111.459 108.800 0.141 0.000 2.543 329 G HA2 0.705 4.665 3.960 -0.000 0.000 0.267 329 G HA3 0.705 4.665 3.960 -0.000 0.000 0.267 329 G C -2.922 171.968 174.900 -0.018 0.000 1.406 329 G CA -1.011 44.152 45.100 0.105 0.000 1.048 329 G HN 0.457 nan 8.290 nan 0.000 0.548 330 P HA 0.237 nan 4.420 nan 0.000 0.276 330 P C -0.487 176.612 177.300 -0.335 0.000 1.244 330 P CA -0.503 62.157 63.100 -0.733 0.000 0.801 330 P CB 1.079 32.009 31.700 -1.283 0.000 1.006 331 K N 0.588 120.838 120.400 -0.250 0.000 2.230 331 K HA 0.038 4.358 4.320 -0.000 0.000 0.253 331 K C 1.378 177.816 176.600 -0.270 0.000 1.008 331 K CA -0.087 56.100 56.287 -0.167 0.000 0.910 331 K CB -0.115 32.328 32.500 -0.095 0.000 0.994 331 K HN 0.518 nan 8.250 nan 0.000 0.495 332 C N 1.514 120.614 119.300 -0.333 0.000 2.448 332 C HA -0.086 4.374 4.460 -0.000 0.000 0.280 332 C C 0.557 175.274 174.990 -0.455 0.000 1.398 332 C CA 0.656 59.355 59.018 -0.530 0.000 1.774 332 C CB -1.225 25.798 27.740 -1.194 0.000 1.888 332 C HN 0.935 nan 8.230 nan 0.000 0.519 333 N N -3.302 115.187 118.700 -0.351 0.000 3.116 333 N HA 0.141 4.881 4.740 -0.000 0.000 0.244 333 N C -0.148 175.270 175.510 -0.153 0.000 1.485 333 N CA -0.602 52.300 53.050 -0.246 0.000 0.884 333 N CB 0.209 38.541 38.487 -0.258 0.000 1.415 333 N HN -0.245 nan 8.380 nan 0.000 0.524 334 Q N -0.180 119.559 119.800 -0.100 0.000 2.119 334 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 334 Q C 1.673 177.654 176.000 -0.032 0.000 0.972 334 Q CA 1.349 57.125 55.803 -0.044 0.000 0.847 334 Q CB -0.292 28.434 28.738 -0.020 0.000 0.903 334 Q HN 0.720 nan 8.270 nan 0.000 0.433 335 R N 1.155 121.627 120.500 -0.047 0.000 2.113 335 R HA -0.187 4.153 4.340 -0.000 0.000 0.244 335 R C 1.885 178.176 176.300 -0.015 0.000 1.142 335 R CA 1.754 57.837 56.100 -0.030 0.000 0.953 335 R CB -0.134 30.142 30.300 -0.040 0.000 0.860 335 R HN 0.108 nan 8.270 nan 0.000 0.438 336 E N 0.341 120.520 120.200 -0.035 0.000 2.077 336 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 336 E C 2.083 178.667 176.600 -0.028 0.000 0.989 336 E CA 1.265 57.664 56.400 -0.000 0.000 0.800 336 E CB -0.189 29.502 29.700 -0.014 0.000 0.746 336 E HN 0.403 nan 8.360 nan 0.000 0.452 337 I N 1.899 122.444 120.570 -0.042 0.000 2.163 337 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 337 I C 1.825 177.927 176.117 -0.026 0.000 1.085 337 I CA 1.417 62.692 61.300 -0.041 0.000 1.347 337 I CB -1.014 37.017 38.000 0.051 0.000 1.044 337 I HN 0.037 nan 8.210 nan 0.000 0.408 338 D N 0.555 120.968 120.400 0.021 0.000 2.117 338 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 338 D C 1.891 178.231 176.300 0.067 0.000 0.987 338 D CA 1.236 55.269 54.000 0.055 0.000 0.829 338 D CB -0.534 40.290 40.800 0.040 0.000 0.961 338 D HN 0.297 nan 8.370 nan 0.000 0.460 339 N N 0.956 119.679 118.700 0.039 0.000 2.018 339 N HA -0.155 4.585 4.740 -0.000 0.000 0.196 339 N C 1.982 177.530 175.510 0.064 0.000 1.043 339 N CA 1.704 54.792 53.050 0.063 0.000 0.856 339 N CB -0.302 38.219 38.487 0.055 0.000 1.042 339 N HN 0.354 nan 8.380 nan 0.000 0.423 340 I N -2.376 118.167 120.570 -0.045 0.000 2.315 340 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 340 I C 1.837 177.866 176.117 -0.145 0.000 1.117 340 I CA 1.667 62.885 61.300 -0.137 0.000 1.404 340 I CB -0.655 37.161 38.000 -0.306 0.000 1.071 340 I HN 0.016 nan 8.210 nan 0.000 0.419 341 D N 1.083 121.407 120.400 -0.127 0.000 2.104 341 D HA -0.313 4.327 4.640 -0.000 0.000 0.194 341 D C 2.188 178.645 176.300 0.261 0.000 0.994 341 D CA 2.024 56.089 54.000 0.108 0.000 0.830 341 D CB -0.208 40.745 40.800 0.254 0.000 0.959 341 D HN 0.615 nan 8.370 nan 0.000 0.452 342 H N -0.220 118.942 119.070 0.153 0.000 2.352 342 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 342 H C 2.083 177.490 175.328 0.131 0.000 1.097 342 H CA 1.970 58.116 56.048 0.162 0.000 1.311 342 H CB -0.301 29.512 29.762 0.086 0.000 1.377 342 H HN 0.224 nan 8.280 nan 0.000 0.504 343 I N -0.442 120.140 120.570 0.021 0.000 2.315 343 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 343 I C 2.250 178.324 176.117 -0.071 0.000 1.117 343 I CA 0.839 62.116 61.300 -0.038 0.000 1.404 343 I CB -0.219 37.810 38.000 0.049 0.000 1.071 343 I HN 0.187 nan 8.210 nan 0.000 0.419 344 V N 0.838 120.709 119.914 -0.071 0.000 2.255 344 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 344 V C 2.354 178.338 176.094 -0.184 0.000 1.051 344 V CA 2.282 64.505 62.300 -0.128 0.000 1.018 344 V CB -1.114 30.618 31.823 -0.151 0.000 0.641 344 V HN 0.438 nan 8.190 nan 0.000 0.445 345 H N -0.493 118.554 119.070 -0.039 0.000 2.353 345 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 345 H C 2.342 177.612 175.328 -0.096 0.000 1.090 345 H CA 1.568 57.585 56.048 -0.052 0.000 1.327 345 H CB -0.040 29.698 29.762 -0.039 0.000 1.383 345 H HN 0.351 nan 8.280 nan 0.000 0.508 346 E N 0.638 120.784 120.200 -0.089 0.000 2.153 346 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 346 E C 2.236 178.810 176.600 -0.045 0.000 0.988 346 E CA 0.967 57.303 56.400 -0.107 0.000 0.811 346 E CB -0.201 29.369 29.700 -0.217 0.000 0.746 346 E HN 0.488 nan 8.360 nan 0.000 0.466 347 A N 0.074 122.869 122.820 -0.042 0.000 1.898 347 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 347 A C 2.236 179.815 177.584 -0.008 0.000 1.181 347 A CA 1.275 53.302 52.037 -0.017 0.000 0.620 347 A CB -0.581 18.410 19.000 -0.015 0.000 0.819 347 A HN 0.283 nan 8.150 nan 0.000 0.442 348 I N -0.380 120.183 120.570 -0.011 0.000 2.179 348 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 348 I C 2.416 178.543 176.117 0.018 0.000 1.088 348 I CA 1.646 62.950 61.300 0.007 0.000 1.357 348 I CB -0.259 37.749 38.000 0.013 0.000 1.051 348 I HN 0.230 nan 8.210 nan 0.000 0.409 349 K N 0.272 120.686 120.400 0.022 0.000 2.160 349 K HA -0.243 4.077 4.320 -0.000 0.000 0.206 349 K C 2.084 178.690 176.600 0.011 0.000 1.047 349 K CA 1.445 57.744 56.287 0.020 0.000 0.930 349 K CB -0.121 32.389 32.500 0.017 0.000 0.720 349 K HN 0.424 nan 8.250 nan 0.000 0.450 350 Q N -1.628 118.175 119.800 0.005 0.000 2.398 350 Q HA 0.029 4.369 4.340 -0.000 0.000 0.204 350 Q C 0.855 176.857 176.000 0.004 0.000 0.932 350 Q CA 0.748 56.553 55.803 0.002 0.000 0.916 350 Q CB 0.944 29.681 28.738 -0.001 0.000 1.024 350 Q HN 0.509 nan 8.270 nan 0.000 0.504 351 G N -0.705 108.099 108.800 0.007 0.000 2.507 351 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.205 351 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.205 351 G C -0.124 174.782 174.900 0.010 0.000 0.996 351 G CA -0.247 44.857 45.100 0.008 0.000 0.776 351 G HN 0.355 nan 8.290 nan 0.000 0.532 352 A N 0.384 123.210 122.820 0.010 0.000 2.302 352 A HA 0.826 5.146 4.320 -0.000 0.000 0.285 352 A C 0.440 178.035 177.584 0.018 0.000 1.105 352 A CA 0.635 52.680 52.037 0.014 0.000 0.816 352 A CB 0.648 19.655 19.000 0.011 0.000 1.067 352 A HN 0.723 nan 8.150 nan 0.000 0.489 353 T N 0.705 115.275 114.554 0.026 0.000 2.856 353 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 353 T C -0.253 174.465 174.700 0.030 0.000 1.008 353 T CA -0.555 61.562 62.100 0.027 0.000 0.997 353 T CB 1.435 70.323 68.868 0.034 0.000 0.992 353 T HN 0.413 nan 8.240 nan 0.000 0.454 354 V N 2.783 122.709 119.914 0.020 0.000 2.479 354 V HA 0.310 4.430 4.120 -0.000 0.000 0.281 354 V C 1.278 177.385 176.094 0.022 0.000 1.031 354 V CA 0.118 62.429 62.300 0.018 0.000 1.038 354 V CB 0.368 32.193 31.823 0.003 0.000 0.981 354 V HN 1.184 nan 8.190 nan 0.000 0.478 355 A N 4.244 127.082 122.820 0.031 0.000 2.044 355 A HA 0.325 4.645 4.320 -0.000 0.000 0.213 355 A C 1.042 178.618 177.584 -0.013 0.000 1.169 355 A CA 1.131 53.181 52.037 0.022 0.000 0.724 355 A CB 0.322 19.351 19.000 0.049 0.000 0.840 355 A HN 0.786 nan 8.150 nan 0.000 0.463 356 T N -3.712 110.830 114.554 -0.019 0.000 2.775 356 T HA 0.520 4.870 4.350 -0.000 0.000 0.320 356 T C 0.300 174.978 174.700 -0.037 0.000 1.597 356 T CA 0.586 62.655 62.100 -0.051 0.000 1.022 356 T CB 0.617 69.425 68.868 -0.100 0.000 1.485 356 T HN 2.082 nan 8.240 nan 0.000 0.494 357 G N 1.563 110.324 108.800 -0.064 0.000 2.552 357 G HA2 0.276 4.236 3.960 -0.000 0.000 0.265 357 G HA3 0.276 4.236 3.960 -0.000 0.000 0.265 357 G C 1.124 175.988 174.900 -0.061 0.000 1.234 357 G CA 1.269 46.326 45.100 -0.071 0.000 0.944 357 G HN 2.607 nan 8.290 nan 0.000 0.568 358 G N -1.234 107.547 108.800 -0.032 0.000 2.149 358 G HA2 0.228 4.188 3.960 -0.000 0.000 0.235 358 G HA3 0.228 4.188 3.960 -0.000 0.000 0.235 358 G C 0.121 174.977 174.900 -0.073 0.000 1.018 358 G CA 1.831 46.945 45.100 0.024 0.000 0.728 358 G HN 2.098 nan 8.290 nan 0.000 0.508 359 K N -1.803 118.349 120.400 -0.414 0.000 2.571 359 K HA 0.666 4.986 4.320 -0.000 0.000 0.289 359 K C -0.032 176.070 176.600 -0.830 0.000 1.028 359 K CA -0.527 55.524 56.287 -0.394 0.000 0.895 359 K CB 0.221 32.633 32.500 -0.147 0.000 1.534 359 K HN 0.129 nan 8.250 nan 0.000 0.421 360 T N 0.568 114.920 114.554 -0.337 0.000 2.802 360 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 360 T C 0.201 174.819 174.700 -0.137 0.000 1.053 360 T CA -0.249 61.758 62.100 -0.156 0.000 1.058 360 T CB 0.776 69.680 68.868 0.060 0.000 0.988 360 T HN 0.653 nan 8.240 nan 0.000 0.539 361 A N 1.427 124.252 122.820 0.008 0.000 2.340 361 A HA 0.694 5.014 4.320 -0.000 0.000 0.331 361 A C 0.281 177.866 177.584 0.002 0.000 1.140 361 A CA -0.945 51.094 52.037 0.003 0.000 0.801 361 A CB 0.849 19.888 19.000 0.066 0.000 1.234 361 A HN 0.826 nan 8.150 nan 0.000 0.469 362 T N 0.066 114.569 114.554 -0.085 0.000 2.767 362 T HA 0.580 4.930 4.350 -0.000 0.000 0.284 362 T C -0.590 173.953 174.700 -0.262 0.000 0.973 362 T CA -0.557 61.466 62.100 -0.128 0.000 0.996 362 T CB 1.109 69.929 68.868 -0.080 0.000 0.927 362 T HN 0.541 nan 8.240 nan 0.000 0.456 363 V N 3.721 123.402 119.914 -0.388 0.000 2.398 363 V HA 0.241 4.361 4.120 -0.000 0.000 0.282 363 V C 0.186 176.170 176.094 -0.185 0.000 1.014 363 V CA -1.100 60.917 62.300 -0.472 0.000 0.838 363 V CB 0.970 32.077 31.823 -1.194 0.000 1.018 363 V HN 1.039 nan 8.190 nan 0.000 0.432 364 E N 3.364 123.504 120.200 -0.100 0.000 2.351 364 E HA 0.487 4.837 4.350 -0.000 0.000 0.266 364 E C 1.111 177.684 176.600 -0.045 0.000 1.031 364 E CA 0.389 56.754 56.400 -0.058 0.000 0.911 364 E CB 0.650 30.317 29.700 -0.055 0.000 0.986 364 E HN 0.951 nan 8.360 nan 0.000 0.446 365 G N 2.976 111.697 108.800 -0.132 0.000 2.194 365 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 365 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 365 G C 0.040 174.533 174.900 -0.677 0.000 0.987 365 G CA -0.040 44.843 45.100 -0.361 0.000 0.635 365 G HN 0.501 nan 8.290 nan 0.000 0.520 366 F N 0.842 120.784 119.950 -0.013 0.000 2.576 366 F HA 0.531 5.058 4.527 -0.000 0.000 0.365 366 F C 1.048 176.947 175.800 0.165 0.000 1.506 366 F CA -0.476 57.593 58.000 0.115 0.000 1.113 366 F CB 1.097 40.196 39.000 0.165 0.000 1.293 366 F HN 0.047 nan 8.300 nan 0.000 0.540 367 E N 0.315 120.622 120.200 0.180 0.000 2.250 367 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 367 E C 2.432 179.163 176.600 0.218 0.000 0.986 367 E CA 0.853 57.353 56.400 0.167 0.000 0.849 367 E CB -0.001 29.740 29.700 0.067 0.000 0.797 367 E HN 0.536 nan 8.360 nan 0.000 0.482 368 G N 0.470 109.386 108.800 0.193 0.000 2.471 368 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.219 368 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.219 368 G C 0.894 175.899 174.900 0.174 0.000 1.125 368 G CA 0.548 45.739 45.100 0.152 0.000 0.775 368 G HN 0.327 nan 8.290 nan 0.000 0.548 369 G N -1.165 107.818 108.800 0.305 0.000 2.563 369 G HA2 0.362 4.322 3.960 -0.000 0.000 0.283 369 G HA3 0.362 4.322 3.960 -0.000 0.000 0.283 369 G C -0.563 174.313 174.900 -0.039 0.000 1.309 369 G CA -0.165 45.012 45.100 0.128 0.000 1.022 369 G HN 0.262 nan 8.290 nan 0.000 0.501 370 C N -0.032 118.999 119.300 -0.448 0.000 2.258 370 C HA 0.506 4.966 4.460 -0.000 0.000 0.321 370 C C -0.944 173.783 174.990 -0.440 0.000 1.168 370 C CA -0.990 57.854 59.018 -0.291 0.000 1.531 370 C CB -1.514 26.101 27.740 -0.208 0.000 2.095 370 C HN 0.547 nan 8.230 nan 0.000 0.449 371 W N 1.576 122.930 121.300 0.089 0.000 2.587 371 W HA 0.622 5.282 4.660 0.000 0.000 0.324 371 W C -0.331 176.281 176.519 0.156 0.000 1.040 371 W CA -0.610 56.789 57.345 0.091 0.000 1.222 371 W CB 0.894 30.384 29.460 0.050 0.000 1.381 371 W HN 0.566 nan 8.180 nan 0.000 0.483 372 Y N 1.105 121.532 120.300 0.213 0.000 2.545 372 Y HA 0.365 4.915 4.550 -0.000 0.000 0.348 372 Y C -0.027 175.952 175.900 0.131 0.000 1.002 372 Y CA -1.220 56.968 58.100 0.146 0.000 1.039 372 Y CB 1.824 40.345 38.460 0.101 0.000 1.271 372 Y HN 0.358 nan 8.280 nan 0.000 0.467 373 E N 5.298 125.345 120.200 -0.254 0.000 2.259 373 E HA 0.239 4.589 4.350 -0.000 0.000 0.281 373 E C -2.522 174.111 176.600 0.055 0.000 1.027 373 E CA -2.070 54.261 56.400 -0.116 0.000 0.838 373 E CB 0.818 30.381 29.700 -0.228 0.000 1.066 373 E HN 0.285 nan 8.360 nan 0.000 0.401 374 P HA -0.085 nan 4.420 nan 0.000 0.258 374 P C -1.051 176.277 177.300 0.047 0.000 1.172 374 P CA 0.655 63.749 63.100 -0.011 0.000 0.762 374 P CB 0.393 31.808 31.700 -0.475 0.000 0.764 375 T N 3.058 117.778 114.554 0.277 0.000 2.848 375 T HA 0.475 4.825 4.350 -0.000 0.000 0.285 375 T C -0.563 174.274 174.700 0.229 0.000 0.995 375 T CA -0.425 61.797 62.100 0.203 0.000 0.970 375 T CB 1.146 70.168 68.868 0.256 0.000 0.976 375 T HN -0.059 nan 8.240 nan 0.000 0.441 376 V N 4.469 124.466 119.914 0.138 0.000 2.531 376 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 376 V C -1.145 175.014 176.094 0.107 0.000 1.034 376 V CA -0.933 61.459 62.300 0.152 0.000 0.865 376 V CB 1.800 33.703 31.823 0.133 0.000 0.995 376 V HN 0.598 nan 8.190 nan 0.000 0.424 377 L N 6.022 127.308 121.223 0.105 0.000 2.296 377 L HA 0.710 5.050 4.340 -0.000 0.000 0.286 377 L C 0.156 177.082 176.870 0.094 0.000 1.023 377 L CA -0.088 54.797 54.840 0.076 0.000 0.812 377 L CB 1.559 43.646 42.059 0.048 0.000 1.223 377 L HN 0.632 nan 8.230 nan 0.000 0.421 378 V N -0.673 119.299 119.914 0.096 0.000 3.234 378 V HA 0.671 4.791 4.120 -0.000 0.000 0.317 378 V C 0.278 176.414 176.094 0.070 0.000 1.147 378 V CA -0.824 61.550 62.300 0.122 0.000 1.037 378 V CB 1.687 33.618 31.823 0.180 0.000 1.148 378 V HN 0.800 nan 8.190 nan 0.000 0.455 379 D N -1.008 119.423 120.400 0.052 0.000 3.012 379 D HA -0.142 4.498 4.640 -0.000 0.000 0.222 379 D C 0.049 176.352 176.300 0.005 0.000 1.167 379 D CA 1.005 55.014 54.000 0.014 0.000 0.854 379 D CB -0.905 39.908 40.800 0.021 0.000 1.107 379 D HN 0.543 nan 8.370 nan 0.000 0.421 380 V N 1.508 121.425 119.914 0.004 0.000 2.530 380 V HA 0.111 4.231 4.120 -0.000 0.000 0.282 380 V C 1.080 177.165 176.094 -0.016 0.000 1.048 380 V CA -0.087 62.210 62.300 -0.005 0.000 0.997 380 V CB 1.565 33.382 31.823 -0.010 0.000 0.987 380 V HN 0.008 nan 8.190 nan 0.000 0.477 381 K N 3.521 123.910 120.400 -0.017 0.000 2.090 381 K HA 0.398 4.718 4.320 -0.000 0.000 0.249 381 K C 0.661 177.223 176.600 -0.063 0.000 0.995 381 K CA -0.773 55.495 56.287 -0.032 0.000 0.914 381 K CB 1.300 33.785 32.500 -0.025 0.000 1.057 381 K HN 0.368 nan 8.250 nan 0.000 0.462 382 Q N 1.332 121.034 119.800 -0.163 0.000 2.170 382 Q HA -0.185 4.155 4.340 -0.000 0.000 0.203 382 Q C 0.875 176.870 176.000 -0.007 0.000 0.976 382 Q CA 2.281 57.917 55.803 -0.278 0.000 0.858 382 Q CB -0.270 27.915 28.738 -0.921 0.000 0.907 382 Q HN 0.778 nan 8.270 nan 0.000 0.433 383 D N -1.018 119.382 120.400 0.000 0.000 2.328 383 D HA -0.043 4.597 4.640 -0.000 0.000 0.226 383 D C -0.101 176.206 176.300 0.012 0.000 1.066 383 D CA -0.163 53.852 54.000 0.026 0.000 0.861 383 D CB -0.671 40.098 40.800 -0.051 0.000 0.912 383 D HN 0.139 nan 8.370 nan 0.000 0.521 384 N N 1.277 120.016 118.700 0.065 0.000 2.492 384 N HA -0.037 4.703 4.740 -0.000 0.000 0.260 384 N C 1.259 176.845 175.510 0.127 0.000 1.215 384 N CA -0.238 52.846 53.050 0.058 0.000 0.923 384 N CB 1.014 39.523 38.487 0.035 0.000 1.092 384 N HN 0.101 nan 8.380 nan 0.000 0.448 385 I N 3.532 124.141 120.570 0.065 0.000 2.300 385 I HA -0.250 3.920 4.170 -0.000 0.000 0.252 385 I C 1.750 177.942 176.117 0.124 0.000 1.119 385 I CA 1.163 62.512 61.300 0.083 0.000 1.384 385 I CB 0.189 38.214 38.000 0.042 0.000 1.062 385 I HN 0.396 nan 8.210 nan 0.000 0.426 386 V N 0.014 119.980 119.914 0.087 0.000 3.306 386 V HA -0.068 4.052 4.120 -0.000 0.000 0.264 386 V C 1.834 177.957 176.094 0.049 0.000 1.149 386 V CA 0.968 63.304 62.300 0.060 0.000 1.143 386 V CB 0.421 32.260 31.823 0.026 0.000 0.767 386 V HN 0.326 nan 8.190 nan 0.000 0.476 387 V N -0.306 119.651 119.914 0.072 0.000 3.649 387 V HA 0.067 4.187 4.120 -0.000 0.000 0.275 387 V C 1.750 177.737 176.094 -0.179 0.000 1.281 387 V CA 1.094 63.362 62.300 -0.053 0.000 1.143 387 V CB -0.724 31.046 31.823 -0.088 0.000 0.892 387 V HN 0.673 nan 8.190 nan 0.000 0.441 388 H N -0.695 118.414 119.070 0.066 0.000 2.545 388 H HA 0.277 4.833 4.556 -0.000 0.000 0.251 388 H C 0.785 176.205 175.328 0.153 0.000 0.934 388 H CA -0.122 55.986 56.048 0.100 0.000 1.116 388 H CB 1.259 31.056 29.762 0.058 0.000 1.439 388 H HN 0.392 nan 8.280 nan 0.000 0.445 389 E N 2.468 122.812 120.200 0.241 0.000 2.259 389 E HA 0.059 4.409 4.350 -0.000 0.000 0.281 389 E C -0.324 176.365 176.600 0.148 0.000 1.027 389 E CA -0.202 56.318 56.400 0.200 0.000 0.838 389 E CB 1.184 30.976 29.700 0.153 0.000 1.066 389 E HN 0.232 nan 8.360 nan 0.000 0.401 390 E N 2.807 123.088 120.200 0.135 0.000 2.366 390 E HA -0.027 4.323 4.350 -0.000 0.000 0.266 390 E C 0.507 177.153 176.600 0.076 0.000 1.015 390 E CA 0.242 56.664 56.400 0.036 0.000 0.906 390 E CB 0.761 30.391 29.700 -0.117 0.000 0.979 390 E HN 0.703 nan 8.360 nan 0.000 0.443 391 T N 2.212 116.816 114.554 0.082 0.000 3.031 391 T HA -0.024 4.326 4.350 -0.000 0.000 0.254 391 T C 1.028 175.841 174.700 0.190 0.000 1.060 391 T CA 0.158 62.315 62.100 0.095 0.000 1.135 391 T CB -0.313 68.578 68.868 0.038 0.000 0.896 391 T HN 0.698 nan 8.240 nan 0.000 0.472 392 F N 1.729 121.665 119.950 -0.023 0.000 3.090 392 F HA -0.140 4.387 4.527 -0.000 0.000 0.282 392 F C 0.438 176.257 175.800 0.033 0.000 0.923 392 F CA 0.357 58.353 58.000 -0.006 0.000 0.977 392 F CB -1.040 37.964 39.000 0.007 0.000 0.954 392 F HN 0.729 nan 8.300 nan 0.000 0.695 393 G N -0.294 108.489 108.800 -0.029 0.000 2.606 393 G HA2 0.490 4.450 3.960 -0.000 0.000 0.300 393 G HA3 0.490 4.450 3.960 -0.000 0.000 0.300 393 G C -3.062 171.815 174.900 -0.039 0.000 1.360 393 G CA -0.390 44.680 45.100 -0.049 0.000 0.783 393 G HN -0.200 nan 8.290 nan 0.000 0.484 394 P HA 0.269 nan 4.420 nan 0.000 0.238 394 P C -0.725 176.705 177.300 0.216 0.000 1.714 394 P CA 0.119 63.339 63.100 0.201 0.000 0.908 394 P CB -0.409 31.557 31.700 0.443 0.000 1.893 395 I N 1.375 121.956 120.570 0.018 0.000 2.410 395 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 395 I C -0.343 175.758 176.117 -0.026 0.000 1.009 395 I CA -0.716 60.615 61.300 0.051 0.000 1.111 395 I CB 2.195 40.215 38.000 0.033 0.000 1.262 395 I HN -0.128 nan 8.210 nan 0.000 0.443 396 L N 10.141 131.386 121.223 0.036 0.000 2.388 396 L HA 0.676 5.016 4.340 -0.000 0.000 0.267 396 L C -2.520 174.387 176.870 0.061 0.000 0.995 396 L CA -1.792 53.059 54.840 0.019 0.000 0.864 396 L CB 1.365 43.454 42.059 0.050 0.000 1.216 396 L HN 0.254 nan 8.230 nan 0.000 0.430 397 P HA 0.261 nan 4.420 nan 0.000 0.276 397 P C -0.825 176.450 177.300 -0.043 0.000 1.230 397 P CA 0.082 63.175 63.100 -0.011 0.000 0.776 397 P CB 1.063 32.732 31.700 -0.052 0.000 0.888 398 I N 3.131 123.706 120.570 0.008 0.000 2.382 398 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 398 I C -0.170 175.941 176.117 -0.011 0.000 1.002 398 I CA -1.054 60.255 61.300 0.014 0.000 1.135 398 I CB 2.030 40.144 38.000 0.189 0.000 1.288 398 I HN -0.021 nan 8.210 nan 0.000 0.448 399 V N 5.695 125.540 119.914 -0.115 0.000 2.513 399 V HA 0.337 4.457 4.120 -0.000 0.000 0.299 399 V C 0.129 176.273 176.094 0.084 0.000 1.035 399 V CA -0.936 61.348 62.300 -0.026 0.000 0.889 399 V CB 2.064 33.870 31.823 -0.027 0.000 0.988 399 V HN 0.565 nan 8.190 nan 0.000 0.440 400 K N 3.202 123.623 120.400 0.035 0.000 2.322 400 K HA 0.490 4.810 4.320 -0.000 0.000 0.283 400 K C -0.572 176.096 176.600 0.113 0.000 1.042 400 K CA -0.009 56.266 56.287 -0.019 0.000 0.958 400 K CB 0.992 33.394 32.500 -0.163 0.000 0.984 400 K HN 0.649 nan 8.250 nan 0.000 0.473 401 V N 0.392 120.324 119.914 0.031 0.000 2.864 401 V HA 0.588 4.708 4.120 -0.000 0.000 0.314 401 V C 0.296 176.227 176.094 -0.272 0.000 1.073 401 V CA -0.138 62.122 62.300 -0.067 0.000 0.956 401 V CB 1.931 33.719 31.823 -0.058 0.000 1.023 401 V HN 0.774 nan 8.190 nan 0.000 0.435 402 S N 0.316 115.852 115.700 -0.273 0.000 2.540 402 S HA 0.434 4.904 4.470 -0.000 0.000 0.222 402 S C 0.582 175.112 174.600 -0.118 0.000 1.008 402 S CA 0.372 58.369 58.200 -0.339 0.000 0.939 402 S CB -0.277 62.810 63.200 -0.189 0.000 0.865 402 S HN 1.972 nan 8.310 nan 0.000 0.499 403 S N -0.282 115.391 115.700 -0.046 0.000 2.615 403 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 403 S C 0.344 174.937 174.600 -0.011 0.000 1.161 403 S CA -0.522 57.705 58.200 0.046 0.000 0.817 403 S CB 0.926 64.109 63.200 -0.029 0.000 1.131 403 S HN 0.016 nan 8.310 nan 0.000 0.467 404 M N 1.178 120.767 119.600 -0.019 0.000 2.132 404 M HA 0.151 4.631 4.480 -0.000 0.000 0.263 404 M C 1.578 177.811 176.300 -0.112 0.000 1.065 404 M CA 2.011 57.275 55.300 -0.060 0.000 1.122 404 M CB -1.098 31.470 32.600 -0.053 0.000 1.365 404 M HN 0.847 nan 8.290 nan 0.000 0.411 405 E N -0.084 120.050 120.200 -0.109 0.000 2.038 405 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 405 E C 2.024 178.504 176.600 -0.200 0.000 1.000 405 E CA 1.876 58.201 56.400 -0.125 0.000 0.803 405 E CB -0.520 29.122 29.700 -0.097 0.000 0.750 405 E HN 0.697 nan 8.360 nan 0.000 0.448 406 Q N 0.104 119.738 119.800 -0.277 0.000 2.061 406 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 406 Q C 2.122 177.695 176.000 -0.712 0.000 0.984 406 Q CA 1.711 57.199 55.803 -0.524 0.000 0.846 406 Q CB -0.230 28.160 28.738 -0.579 0.000 0.902 406 Q HN 0.298 nan 8.270 nan 0.000 0.421 407 A N 0.829 123.353 122.820 -0.495 0.000 1.908 407 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 407 A C 2.002 179.367 177.584 -0.365 0.000 1.181 407 A CA 1.591 53.354 52.037 -0.457 0.000 0.627 407 A CB -0.739 18.120 19.000 -0.236 0.000 0.818 407 A HN 0.518 nan 8.150 nan 0.000 0.445 408 I N -0.974 119.454 120.570 -0.237 0.000 2.202 408 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 408 I C 2.587 178.635 176.117 -0.115 0.000 1.091 408 I CA 1.540 62.749 61.300 -0.151 0.000 1.368 408 I CB -0.439 37.495 38.000 -0.110 0.000 1.058 408 I HN 0.452 nan 8.210 nan 0.000 0.410 409 E N 0.577 120.704 120.200 -0.121 0.000 2.049 409 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 409 E C 2.232 178.905 176.600 0.121 0.000 1.007 409 E CA 1.628 58.018 56.400 -0.016 0.000 0.809 409 E CB -0.057 29.623 29.700 -0.033 0.000 0.749 409 E HN 0.311 nan 8.360 nan 0.000 0.450 410 F N 0.439 120.260 119.950 -0.215 0.000 2.134 410 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 410 F C 2.574 178.215 175.800 -0.265 0.000 1.097 410 F CA 0.410 58.246 58.000 -0.273 0.000 1.264 410 F CB -1.211 37.453 39.000 -0.559 0.000 1.001 410 F HN 0.196 nan 8.300 nan 0.000 0.479 411 C N 0.361 119.581 119.300 -0.134 0.000 2.429 411 C HA -0.189 4.271 4.460 -0.000 0.000 0.277 411 C C 2.467 177.466 174.990 0.016 0.000 1.262 411 C CA 1.145 60.135 59.018 -0.047 0.000 1.733 411 C CB -1.161 26.534 27.740 -0.076 0.000 2.010 411 C HN 0.422 nan 8.230 nan 0.000 0.483 412 N N 0.663 119.371 118.700 0.012 0.000 2.494 412 N HA -0.039 4.701 4.740 -0.000 0.000 0.182 412 N C 0.319 175.862 175.510 0.055 0.000 1.076 412 N CA 0.777 53.847 53.050 0.033 0.000 0.908 412 N CB -0.495 38.008 38.487 0.027 0.000 0.967 412 N HN 0.535 nan 8.380 nan 0.000 0.449 413 D N 0.594 121.034 120.400 0.067 0.000 2.545 413 D HA 0.157 4.797 4.640 -0.000 0.000 0.227 413 D C -0.875 175.466 176.300 0.067 0.000 1.150 413 D CA 0.114 54.167 54.000 0.087 0.000 1.046 413 D CB -0.234 40.630 40.800 0.108 0.000 1.098 413 D HN -0.090 nan 8.370 nan 0.000 0.502 414 S N 1.872 117.618 115.700 0.076 0.000 2.558 414 S HA 0.201 4.671 4.470 -0.000 0.000 0.277 414 S C 0.555 175.162 174.600 0.011 0.000 1.143 414 S CA -0.839 57.403 58.200 0.070 0.000 0.865 414 S CB 0.351 63.607 63.200 0.094 0.000 1.102 414 S HN 0.314 nan 8.310 nan 0.000 0.454 415 I N 0.978 121.482 120.570 -0.110 0.000 3.578 415 I HA 0.388 4.558 4.170 -0.000 0.000 0.295 415 I C -0.276 175.616 176.117 -0.375 0.000 1.280 415 I CA -0.006 61.131 61.300 -0.271 0.000 1.347 415 I CB -0.250 37.517 38.000 -0.389 0.000 1.051 415 I HN 0.452 nan 8.210 nan 0.000 0.460 416 Y N 1.200 121.529 120.300 0.048 0.000 2.519 416 Y HA 0.709 5.259 4.550 -0.000 0.000 0.324 416 Y C 1.011 176.934 175.900 0.039 0.000 1.214 416 Y CA -0.674 57.449 58.100 0.039 0.000 1.260 416 Y CB 1.706 40.184 38.460 0.030 0.000 1.311 416 Y HN -0.061 nan 8.280 nan 0.000 0.505 417 G N 0.818 109.743 108.800 0.207 0.000 5.114 417 G HA2 0.184 4.144 3.960 -0.000 0.000 0.209 417 G HA3 0.184 4.144 3.960 -0.000 0.000 0.209 417 G C -0.433 174.445 174.900 -0.036 0.000 1.021 417 G CA -0.175 44.975 45.100 0.082 0.000 0.608 417 G HN 0.498 nan 8.290 nan 0.000 0.360 418 L N 0.163 121.366 121.223 -0.032 0.000 2.116 418 L HA 0.586 4.926 4.340 -0.000 0.000 0.200 418 L C 0.774 177.551 176.870 -0.155 0.000 1.084 418 L CA 1.402 56.175 54.840 -0.111 0.000 0.766 418 L CB 0.055 42.078 42.059 -0.060 0.000 0.930 418 L HN 0.128 nan 8.230 nan 0.000 0.453 419 S N -1.310 114.331 115.700 -0.098 0.000 2.595 419 S HA 0.883 5.353 4.470 -0.000 0.000 0.281 419 S C -1.110 173.363 174.600 -0.212 0.000 1.117 419 S CA -0.197 57.925 58.200 -0.129 0.000 0.873 419 S CB 2.005 65.170 63.200 -0.060 0.000 1.108 419 S HN 0.501 nan 8.310 nan 0.000 0.477 420 A N 1.405 124.021 122.820 -0.340 0.000 2.574 420 A HA 0.772 5.092 4.320 -0.000 0.000 0.297 420 A C -2.350 175.035 177.584 -0.333 0.000 1.062 420 A CA -0.638 51.240 52.037 -0.265 0.000 0.686 420 A CB 0.976 19.905 19.000 -0.119 0.000 1.285 420 A HN 0.685 nan 8.150 nan 0.000 0.403 421 Y N 0.400 120.765 120.300 0.108 0.000 2.361 421 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 421 Y C -0.249 175.700 175.900 0.081 0.000 0.965 421 Y CA -0.835 57.328 58.100 0.105 0.000 1.091 421 Y CB 2.470 40.966 38.460 0.061 0.000 1.182 421 Y HN 0.441 nan 8.280 nan 0.000 0.450 422 V N 3.648 123.666 119.914 0.174 0.000 2.483 422 V HA 0.317 4.437 4.120 -0.000 0.000 0.297 422 V C -0.716 175.400 176.094 0.037 0.000 1.027 422 V CA -0.847 61.514 62.300 0.103 0.000 0.855 422 V CB 1.412 33.258 31.823 0.039 0.000 0.995 422 V HN 0.726 nan 8.190 nan 0.000 0.424 423 H N 2.884 121.998 119.070 0.074 0.000 2.581 423 H HA 0.693 5.249 4.556 -0.000 0.000 0.308 423 H C -0.261 175.089 175.328 0.037 0.000 1.040 423 H CA 0.179 56.264 56.048 0.062 0.000 1.231 423 H CB 1.935 31.733 29.762 0.060 0.000 1.396 423 H HN 0.730 nan 8.280 nan 0.000 0.467 424 T N 2.260 116.879 114.554 0.109 0.000 2.827 424 T HA 0.089 4.439 4.350 -0.000 0.000 0.328 424 T C 0.115 174.850 174.700 0.058 0.000 1.598 424 T CA -0.472 61.668 62.100 0.067 0.000 1.043 424 T CB 1.757 70.644 68.868 0.031 0.000 1.447 424 T HN 0.663 nan 8.240 nan 0.000 0.491 425 Q N 0.634 120.464 119.800 0.050 0.000 2.317 425 Q HA 0.272 4.612 4.340 -0.000 0.000 0.220 425 Q C 0.422 176.461 176.000 0.064 0.000 0.873 425 Q CA -0.105 55.731 55.803 0.054 0.000 0.936 425 Q CB 0.771 29.537 28.738 0.047 0.000 1.105 425 Q HN 0.543 nan 8.270 nan 0.000 0.520 426 S N -0.194 115.538 115.700 0.053 0.000 2.499 426 S HA 0.084 4.554 4.470 -0.000 0.000 0.275 426 S C 0.572 175.238 174.600 0.110 0.000 1.257 426 S CA -0.531 57.711 58.200 0.070 0.000 1.050 426 S CB 0.297 63.511 63.200 0.025 0.000 0.937 426 S HN 0.399 nan 8.310 nan 0.000 0.490 427 F N 5.245 125.189 119.950 -0.010 0.000 2.126 427 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 427 F C 2.200 177.993 175.800 -0.013 0.000 1.096 427 F CA 1.708 59.702 58.000 -0.011 0.000 1.255 427 F CB -0.437 38.558 39.000 -0.008 0.000 0.997 427 F HN 0.765 nan 8.300 nan 0.000 0.479 428 A N 0.537 123.310 122.820 -0.078 0.000 1.902 428 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 428 A C 1.943 179.430 177.584 -0.160 0.000 1.181 428 A CA 1.950 53.880 52.037 -0.178 0.000 0.623 428 A CB -0.917 18.050 19.000 -0.056 0.000 0.818 428 A HN 0.501 nan 8.150 nan 0.000 0.443 429 N N 0.009 118.655 118.700 -0.089 0.000 2.142 429 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 429 N C 1.597 177.052 175.510 -0.092 0.000 1.023 429 N CA 1.377 54.383 53.050 -0.075 0.000 0.852 429 N CB -0.425 38.038 38.487 -0.039 0.000 0.998 429 N HN 0.569 nan 8.380 nan 0.000 0.424 430 I N 1.202 121.714 120.570 -0.097 0.000 2.179 430 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 430 I C 1.636 177.663 176.117 -0.150 0.000 1.088 430 I CA 0.875 62.120 61.300 -0.090 0.000 1.357 430 I CB -0.204 37.780 38.000 -0.027 0.000 1.051 430 I HN 0.105 nan 8.210 nan 0.000 0.409 431 N N 0.449 118.986 118.700 -0.271 0.000 2.120 431 N HA -0.247 4.493 4.740 -0.000 0.000 0.188 431 N C 1.789 177.193 175.510 -0.177 0.000 1.024 431 N CA 1.204 54.086 53.050 -0.280 0.000 0.852 431 N CB -0.404 37.810 38.487 -0.456 0.000 1.003 431 N HN 0.467 nan 8.380 nan 0.000 0.424 432 Q N 0.376 120.081 119.800 -0.158 0.000 2.084 432 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 432 Q C 1.927 177.870 176.000 -0.094 0.000 0.978 432 Q CA 1.422 57.158 55.803 -0.111 0.000 0.844 432 Q CB -0.046 28.633 28.738 -0.100 0.000 0.898 432 Q HN 0.375 nan 8.270 nan 0.000 0.426 433 A N 0.688 123.451 122.820 -0.094 0.000 1.883 433 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 433 A C 1.949 179.476 177.584 -0.096 0.000 1.186 433 A CA 1.442 53.427 52.037 -0.086 0.000 0.624 433 A CB -0.688 18.269 19.000 -0.072 0.000 0.822 433 A HN 0.441 nan 8.150 nan 0.000 0.444 434 I N -0.747 119.764 120.570 -0.098 0.000 2.315 434 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 434 I C 2.814 178.884 176.117 -0.078 0.000 1.117 434 I CA 1.485 62.727 61.300 -0.096 0.000 1.404 434 I CB -0.101 37.848 38.000 -0.085 0.000 1.071 434 I HN 0.423 nan 8.210 nan 0.000 0.419 435 S N 0.072 115.731 115.700 -0.069 0.000 2.395 435 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 435 S C 1.551 176.136 174.600 -0.024 0.000 1.027 435 S CA 1.471 59.647 58.200 -0.041 0.000 0.965 435 S CB -0.029 63.141 63.200 -0.050 0.000 0.812 435 S HN 0.353 nan 8.310 nan 0.000 0.482 436 D N 0.338 120.712 120.400 -0.044 0.000 2.423 436 D HA 0.274 4.914 4.640 -0.000 0.000 0.208 436 D C 0.045 176.324 176.300 -0.036 0.000 1.068 436 D CA -0.013 53.970 54.000 -0.030 0.000 0.860 436 D CB 0.037 40.812 40.800 -0.041 0.000 0.992 436 D HN 0.354 nan 8.370 nan 0.000 0.504 437 L N 1.763 122.939 121.223 -0.077 0.000 2.462 437 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 437 L C 0.527 177.305 176.870 -0.152 0.000 1.166 437 L CA 0.310 55.084 54.840 -0.110 0.000 0.880 437 L CB 0.538 42.511 42.059 -0.142 0.000 1.142 437 L HN -0.221 nan 8.230 nan 0.000 0.473 438 E N 3.577 123.724 120.200 -0.089 0.000 2.232 438 E HA 0.190 4.540 4.350 -0.000 0.000 0.296 438 E C -0.575 175.892 176.600 -0.221 0.000 1.372 438 E CA -0.258 56.136 56.400 -0.009 0.000 1.527 438 E CB 0.358 30.162 29.700 0.173 0.000 1.424 438 E HN 0.441 nan 8.360 nan 0.000 0.485 439 V N -3.352 116.134 119.914 -0.713 0.000 3.141 439 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 439 V C 0.956 176.115 176.094 -1.559 0.000 1.157 439 V CA -0.733 61.077 62.300 -0.818 0.000 1.041 439 V CB 1.515 33.078 31.823 -0.434 0.000 1.071 439 V HN 0.189 nan 8.190 nan 0.000 0.441 440 G N -0.248 107.850 108.800 -1.171 0.000 2.683 440 G HA2 0.245 4.205 3.960 -0.000 0.000 0.213 440 G HA3 0.245 4.205 3.960 -0.000 0.000 0.213 440 G C 0.320 174.925 174.900 -0.491 0.000 1.142 440 G CA 0.159 44.691 45.100 -0.946 0.000 0.793 440 G HN 0.771 nan 8.290 nan 0.000 0.534 441 E N 0.157 120.098 120.200 -0.432 0.000 2.255 441 E HA 0.435 4.785 4.350 -0.000 0.000 0.256 441 E C -1.345 175.019 176.600 -0.394 0.000 0.887 441 E CA -0.484 55.693 56.400 -0.371 0.000 0.782 441 E CB 2.803 32.370 29.700 -0.223 0.000 1.214 441 E HN -0.062 nan 8.360 nan 0.000 0.417 442 V N 3.810 123.473 119.914 -0.418 0.000 2.394 442 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 442 V C -0.863 175.010 176.094 -0.368 0.000 1.031 442 V CA -0.651 61.464 62.300 -0.308 0.000 0.881 442 V CB 0.337 32.025 31.823 -0.224 0.000 0.982 442 V HN 0.574 nan 8.190 nan 0.000 0.451 443 Y N 4.410 124.597 120.300 -0.189 0.000 2.364 443 Y HA 0.628 5.177 4.550 -0.000 0.000 0.340 443 Y C -0.007 175.870 175.900 -0.037 0.000 0.975 443 Y CA -1.001 57.056 58.100 -0.071 0.000 1.089 443 Y CB 1.807 40.287 38.460 0.033 0.000 1.192 443 Y HN 0.355 nan 8.280 nan 0.000 0.454 444 I N 3.955 124.576 120.570 0.085 0.000 2.382 444 I HA 0.199 4.368 4.170 -0.000 0.000 0.286 444 I C -0.279 175.801 176.117 -0.063 0.000 1.002 444 I CA -0.925 60.374 61.300 -0.002 0.000 1.135 444 I CB 1.203 39.198 38.000 -0.009 0.000 1.288 444 I HN 0.778 nan 8.210 nan 0.000 0.448 445 N N 4.460 123.010 118.700 -0.251 0.000 2.725 445 N HA -0.253 4.487 4.740 -0.000 0.000 0.249 445 N C -0.132 175.181 175.510 -0.329 0.000 1.103 445 N CA 0.911 53.676 53.050 -0.474 0.000 0.707 445 N CB -0.778 37.624 38.487 -0.142 0.000 1.043 445 N HN 0.839 nan 8.380 nan 0.000 0.553 446 R N -2.957 117.416 120.500 -0.213 0.000 2.747 446 R HA 0.840 5.180 4.340 -0.000 0.000 0.272 446 R C 0.455 176.834 176.300 0.132 0.000 1.032 446 R CA -0.476 55.659 56.100 0.057 0.000 0.896 446 R CB 0.165 30.532 30.300 0.110 0.000 1.253 446 R HN -0.052 nan 8.270 nan 0.000 0.461 447 G N -0.097 108.746 108.800 0.071 0.000 2.890 447 G HA2 0.408 4.368 3.960 -0.000 0.000 0.189 447 G HA3 0.408 4.368 3.960 -0.000 0.000 0.189 447 G C -0.484 174.258 174.900 -0.262 0.000 1.342 447 G CA -1.215 43.786 45.100 -0.166 0.000 1.026 447 G HN 0.453 nan 8.290 nan 0.000 0.579 448 M N 0.765 120.141 119.600 -0.373 0.000 2.250 448 M HA 0.381 4.861 4.480 -0.000 0.000 0.337 448 M C 0.520 176.760 176.300 -0.100 0.000 1.161 448 M CA 1.483 56.645 55.300 -0.229 0.000 1.088 448 M CB 0.367 32.884 32.600 -0.139 0.000 1.639 448 M HN 0.906 nan 8.290 nan 0.000 0.447 449 G N 3.838 112.606 108.800 -0.054 0.000 2.588 449 G HA2 0.001 3.961 3.960 -0.000 0.000 0.239 449 G HA3 0.001 3.961 3.960 -0.000 0.000 0.239 449 G C -0.919 174.061 174.900 0.134 0.000 1.275 449 G CA -0.868 44.239 45.100 0.011 0.000 1.181 449 G HN 0.759 nan 8.290 nan 0.000 0.595 450 E N 2.085 122.357 120.200 0.120 0.000 2.280 450 E HA 0.596 4.946 4.350 -0.000 0.000 0.264 450 E C -0.389 176.229 176.600 0.030 0.000 1.064 450 E CA -0.474 56.022 56.400 0.160 0.000 0.900 450 E CB 1.677 31.478 29.700 0.168 0.000 1.123 450 E HN 0.542 nan 8.360 nan 0.000 0.418 451 Q N -0.193 119.619 119.800 0.021 0.000 2.351 451 Q HA 0.249 4.589 4.340 -0.000 0.000 0.273 451 Q C 0.483 176.460 176.000 -0.038 0.000 1.077 451 Q CA -1.025 54.718 55.803 -0.101 0.000 0.843 451 Q CB 1.404 30.074 28.738 -0.113 0.000 1.367 451 Q HN 0.547 nan 8.270 nan 0.000 0.449 452 H N 0.874 119.776 119.070 -0.279 0.000 2.489 452 H HA -0.127 4.429 4.556 -0.000 0.000 0.293 452 H C 1.630 176.554 175.328 -0.672 0.000 1.066 452 H CA 1.263 57.049 56.048 -0.437 0.000 1.305 452 H CB 0.259 29.687 29.762 -0.557 0.000 1.386 452 H HN 0.555 nan 8.280 nan 0.000 0.551 453 Q N 0.628 120.232 119.800 -0.327 0.000 2.392 453 Q HA 0.128 4.468 4.340 -0.000 0.000 0.203 453 Q C 1.170 177.165 176.000 -0.007 0.000 0.917 453 Q CA 0.462 56.145 55.803 -0.201 0.000 0.939 453 Q CB 0.095 28.827 28.738 -0.010 0.000 1.063 453 Q HN 0.264 nan 8.270 nan 0.000 0.516 454 G N 1.139 109.961 108.800 0.036 0.000 2.489 454 G HA2 0.311 4.271 3.960 -0.000 0.000 0.271 454 G HA3 0.311 4.271 3.960 -0.000 0.000 0.271 454 G C -1.241 173.848 174.900 0.315 0.000 1.427 454 G CA -0.475 44.713 45.100 0.147 0.000 1.057 454 G HN 0.237 nan 8.290 nan 0.000 0.532 455 F N -0.076 119.958 119.950 0.140 0.000 2.716 455 F HA 0.359 4.886 4.527 -0.000 0.000 0.354 455 F C -0.532 175.375 175.800 0.179 0.000 1.168 455 F CA -1.435 56.678 58.000 0.189 0.000 1.045 455 F CB 1.032 40.168 39.000 0.226 0.000 1.311 455 F HN 0.460 nan 8.300 nan 0.000 0.477 456 H N 4.374 123.451 119.070 0.012 0.000 3.205 456 H HA 0.255 4.811 4.556 -0.000 0.000 0.262 456 H C -0.579 174.549 175.328 -0.333 0.000 1.333 456 H CA 0.476 56.466 56.048 -0.097 0.000 1.499 456 H CB -0.009 29.773 29.762 0.032 0.000 1.609 456 H HN 0.501 nan 8.280 nan 0.000 0.498 457 N N 3.292 121.648 118.700 -0.574 0.000 2.690 457 N HA 0.229 4.969 4.740 -0.000 0.000 0.255 457 N C -0.452 174.898 175.510 -0.267 0.000 1.195 457 N CA -0.389 52.306 53.050 -0.592 0.000 0.790 457 N CB 0.757 38.651 38.487 -0.988 0.000 1.216 457 N HN 0.618 nan 8.380 nan 0.000 0.528 458 G N 1.553 110.215 108.800 -0.229 0.000 2.365 458 G HA2 0.177 4.136 3.960 -0.000 0.000 0.249 458 G HA3 0.177 4.136 3.960 -0.000 0.000 0.249 458 G C -0.353 174.648 174.900 0.168 0.000 1.288 458 G CA -0.211 44.849 45.100 -0.067 0.000 0.887 458 G HN 0.371 nan 8.290 nan 0.000 0.524 459 W N 1.317 122.553 121.300 -0.107 0.000 2.260 459 W HA 0.517 5.177 4.660 -0.000 0.000 0.366 459 W C 1.158 177.655 176.519 -0.037 0.000 1.315 459 W CA -1.224 56.075 57.345 -0.078 0.000 1.458 459 W CB 0.459 29.878 29.460 -0.069 0.000 1.255 459 W HN 0.808 nan 8.180 nan 0.000 0.671 460 K N -0.445 120.059 120.400 0.175 0.000 1.791 460 K HA -0.321 3.999 4.320 -0.000 0.000 0.140 460 K C 1.011 177.642 176.600 0.050 0.000 1.312 460 K CA 1.799 58.132 56.287 0.076 0.000 0.382 460 K CB -1.170 31.375 32.500 0.076 0.000 0.635 460 K HN 0.418 nan 8.250 nan 0.000 0.838 461 Q N 0.664 120.472 119.800 0.015 0.000 2.444 461 Q HA 0.088 4.428 4.340 -0.000 0.000 0.206 461 Q C 1.245 177.333 176.000 0.148 0.000 0.948 461 Q CA 0.724 56.538 55.803 0.018 0.000 0.946 461 Q CB 0.513 29.175 28.738 -0.127 0.000 1.027 461 Q HN 0.351 nan 8.270 nan 0.000 0.513 462 S N -0.193 115.616 115.700 0.182 0.000 2.558 462 S HA 0.242 4.712 4.470 -0.000 0.000 0.217 462 S C 0.793 175.444 174.600 0.086 0.000 0.975 462 S CA 0.481 58.785 58.200 0.174 0.000 0.912 462 S CB 0.541 63.823 63.200 0.136 0.000 0.776 462 S HN 0.568 nan 8.310 nan 0.000 0.526 463 G N 0.376 109.233 108.800 0.095 0.000 2.333 463 G HA2 0.424 4.384 3.960 -0.000 0.000 0.288 463 G HA3 0.424 4.384 3.960 -0.000 0.000 0.288 463 G C -2.246 172.758 174.900 0.174 0.000 1.286 463 G CA -0.851 44.312 45.100 0.106 0.000 0.865 463 G HN 0.123 nan 8.290 nan 0.000 0.506 464 F N -0.224 119.744 119.950 0.030 0.000 2.615 464 F HA 0.561 5.088 4.527 -0.000 0.000 0.312 464 F C 0.926 176.759 175.800 0.054 0.000 1.119 464 F CA 1.047 59.081 58.000 0.057 0.000 0.979 464 F CB 1.888 40.974 39.000 0.143 0.000 1.266 464 F HN 2.024 nan 8.300 nan 0.000 0.444 465 G N 2.482 110.989 108.800 -0.489 0.000 2.498 465 G HA2 0.214 4.174 3.960 -0.000 0.000 0.229 465 G HA3 0.214 4.174 3.960 -0.000 0.000 0.229 465 G C 0.893 175.788 174.900 -0.008 0.000 1.156 465 G CA 0.429 45.416 45.100 -0.189 0.000 0.680 465 G HN 2.424 nan 8.290 nan 0.000 0.512 466 G N -0.428 108.311 108.800 -0.102 0.000 2.777 466 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 466 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 466 G C -0.692 174.254 174.900 0.077 0.000 1.177 466 G CA 0.884 45.782 45.100 -0.338 0.000 0.775 466 G HN 1.396 nan 8.290 nan 0.000 0.613 467 E N 0.894 121.122 120.200 0.047 0.000 2.277 467 E HA 0.612 4.962 4.350 -0.000 0.000 0.266 467 E C -0.372 176.474 176.600 0.409 0.000 0.901 467 E CA -0.273 56.295 56.400 0.279 0.000 0.782 467 E CB 1.368 31.195 29.700 0.211 0.000 1.228 467 E HN 0.778 nan 8.360 nan 0.000 0.424 468 D N 0.448 121.090 120.400 0.404 0.000 10.694 468 D HA -0.035 4.605 4.640 -0.000 0.000 0.343 468 D C 0.242 176.764 176.300 0.371 0.000 3.140 468 D CA 1.500 55.710 54.000 0.350 0.000 2.670 468 D CB -0.884 40.101 40.800 0.308 0.000 1.232 468 D HN 0.940 nan 8.370 nan 0.000 0.946 469 G N 0.482 109.391 108.800 0.182 0.000 2.601 469 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.252 469 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.252 469 G C 0.882 175.937 174.900 0.260 0.000 1.294 469 G CA 1.101 46.306 45.100 0.174 0.000 0.912 469 G HN 0.827 nan 8.290 nan 0.000 0.574 470 K N -0.594 119.832 120.400 0.043 0.000 2.026 470 K HA 0.027 4.347 4.320 -0.000 0.000 0.208 470 K C 2.461 178.914 176.600 -0.245 0.000 1.048 470 K CA 2.339 58.514 56.287 -0.187 0.000 0.929 470 K CB -0.254 31.938 32.500 -0.514 0.000 0.713 470 K HN 0.457 nan 8.250 nan 0.000 0.439 471 F N 0.117 119.949 119.950 -0.198 0.000 2.293 471 F HA 0.051 4.578 4.527 -0.000 0.000 0.297 471 F C 2.402 178.164 175.800 -0.063 0.000 1.089 471 F CA 0.684 58.469 58.000 -0.357 0.000 1.377 471 F CB -0.405 37.915 39.000 -1.132 0.000 1.051 471 F HN 0.206 nan 8.300 nan 0.000 0.511 472 G N 0.338 109.328 108.800 0.318 0.000 2.421 472 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 472 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 472 G C 1.700 176.848 174.900 0.413 0.000 1.171 472 G CA 0.421 45.792 45.100 0.452 0.000 0.775 472 G HN 0.290 nan 8.290 nan 0.000 0.543 473 L N 0.057 121.493 121.223 0.355 0.000 2.093 473 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 473 L C 2.857 179.914 176.870 0.311 0.000 1.085 473 L CA 1.687 56.742 54.840 0.359 0.000 0.755 473 L CB -0.214 41.970 42.059 0.207 0.000 0.904 473 L HN 0.258 nan 8.230 nan 0.000 0.435 474 E N 0.306 120.618 120.200 0.187 0.000 2.118 474 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 474 E C 2.095 178.778 176.600 0.137 0.000 0.992 474 E CA 1.519 57.998 56.400 0.132 0.000 0.804 474 E CB -0.089 29.669 29.700 0.096 0.000 0.741 474 E HN 0.477 nan 8.360 nan 0.000 0.458 475 Q N -1.342 118.532 119.800 0.122 0.000 2.297 475 Q HA -0.171 4.169 4.340 -0.000 0.000 0.208 475 Q C 1.163 177.110 176.000 -0.089 0.000 0.981 475 Q CA 1.247 57.050 55.803 -0.000 0.000 0.876 475 Q CB -0.162 28.542 28.738 -0.058 0.000 0.921 475 Q HN 0.469 nan 8.270 nan 0.000 0.446 476 Y N -0.409 119.952 120.300 0.103 0.000 2.490 476 Y HA 0.137 4.687 4.550 -0.000 0.000 0.281 476 Y C 0.184 176.131 175.900 0.079 0.000 1.174 476 Y CA 0.133 58.288 58.100 0.092 0.000 1.295 476 Y CB 0.442 38.961 38.460 0.097 0.000 1.062 476 Y HN -0.015 nan 8.280 nan 0.000 0.522 477 L N 0.437 121.770 121.223 0.183 0.000 2.341 477 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 477 L C -0.251 176.675 176.870 0.094 0.000 1.005 477 L CA -0.905 54.013 54.840 0.130 0.000 0.818 477 L CB 1.794 43.920 42.059 0.112 0.000 1.259 477 L HN -0.121 nan 8.230 nan 0.000 0.418 478 E N 2.580 122.830 120.200 0.084 0.000 2.283 478 E HA 0.433 4.783 4.350 -0.000 0.000 0.271 478 E C -1.163 175.480 176.600 0.071 0.000 1.031 478 E CA -0.508 55.933 56.400 0.070 0.000 0.868 478 E CB 1.142 30.879 29.700 0.062 0.000 1.094 478 E HN 0.199 nan 8.360 nan 0.000 0.401 479 K N 1.692 122.133 120.400 0.069 0.000 2.156 479 K HA 0.453 4.773 4.320 -0.000 0.000 0.254 479 K C -0.921 175.728 176.600 0.081 0.000 0.950 479 K CA -0.624 55.709 56.287 0.077 0.000 0.849 479 K CB 1.503 34.044 32.500 0.068 0.000 1.100 479 K HN 0.292 nan 8.250 nan 0.000 0.434 480 K N 1.554 122.017 120.400 0.106 0.000 2.640 480 K HA 0.288 4.608 4.320 -0.000 0.000 0.245 480 K C -1.205 175.487 176.600 0.152 0.000 0.962 480 K CA -0.323 56.026 56.287 0.103 0.000 0.896 480 K CB 1.107 33.641 32.500 0.058 0.000 1.147 480 K HN 0.616 nan 8.250 nan 0.000 0.445 481 T N 3.125 117.755 114.554 0.126 0.000 2.761 481 T HA 0.203 4.553 4.350 -0.000 0.000 0.296 481 T C -0.177 174.615 174.700 0.153 0.000 0.934 481 T CA -0.441 61.728 62.100 0.115 0.000 1.091 481 T CB 0.854 69.775 68.868 0.087 0.000 0.896 481 T HN 0.232 nan 8.240 nan 0.000 0.515 482 V N 4.465 124.480 119.914 0.168 0.000 2.384 482 V HA 0.341 4.461 4.120 -0.000 0.000 0.287 482 V C -0.917 175.279 176.094 0.169 0.000 1.020 482 V CA -1.045 61.377 62.300 0.203 0.000 0.850 482 V CB 0.608 32.544 31.823 0.189 0.000 0.987 482 V HN 0.763 nan 8.190 nan 0.000 0.436 483 Y N 4.760 125.146 120.300 0.144 0.000 2.434 483 Y HA 0.553 5.103 4.550 -0.000 0.000 0.341 483 Y C 0.334 176.310 175.900 0.125 0.000 0.965 483 Y CA -0.633 57.542 58.100 0.125 0.000 1.205 483 Y CB 1.051 39.554 38.460 0.073 0.000 1.121 483 Y HN 0.475 nan 8.280 nan 0.000 0.507 484 I N 3.698 124.440 120.570 0.285 0.000 2.307 484 I HA 0.158 4.328 4.170 -0.000 0.000 0.289 484 I C -0.214 176.004 176.117 0.168 0.000 1.021 484 I CA -0.707 60.721 61.300 0.213 0.000 1.224 484 I CB 0.916 39.058 38.000 0.236 0.000 1.376 484 I HN 0.544 nan 8.210 nan 0.000 0.470 485 N N 5.504 124.280 118.700 0.126 0.000 2.411 485 N HA 0.077 4.817 4.740 -0.000 0.000 0.259 485 N C 0.472 176.025 175.510 0.072 0.000 1.103 485 N CA 0.055 53.159 53.050 0.090 0.000 0.954 485 N CB 0.768 39.296 38.487 0.069 0.000 1.085 485 N HN 0.476 nan 8.380 nan 0.000 0.485 486 E N 1.810 122.049 120.200 0.066 0.000 2.474 486 E HA 0.167 4.517 4.350 -0.000 0.000 0.195 486 E C 0.415 177.038 176.600 0.038 0.000 1.039 486 E CA -0.360 56.073 56.400 0.054 0.000 0.881 486 E CB 0.392 30.126 29.700 0.057 0.000 0.970 486 E HN 0.670 nan 8.360 nan 0.000 0.486 487 A N 0.000 122.841 122.820 0.035 0.000 2.254 487 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 487 A CA 0.000 52.053 52.037 0.026 0.000 0.836 487 A CB 0.000 19.015 19.000 0.024 0.000 0.831 487 A HN 0.000 nan 8.150 nan 0.000 0.486