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 3bep_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.353 176.300 0.088 0.000 1.140 1 M CA 0.000 55.353 55.300 0.089 0.000 0.988 1 M CB 0.000 32.658 32.600 0.097 0.000 1.302 2 K N 4.531 125.024 120.400 0.155 0.000 2.557 2 K HA 0.770 5.091 4.320 0.002 0.000 0.257 2 K C -2.263 174.498 176.600 0.268 0.000 0.933 2 K CA -0.493 55.854 56.287 0.100 0.000 0.820 2 K CB 1.955 34.486 32.500 0.051 0.000 1.330 2 K HN 0.593 nan 8.250 nan 0.000 0.432 3 F N -1.248 118.753 119.950 0.085 0.000 2.703 3 F HA 0.497 5.025 4.527 0.001 0.000 0.308 3 F C -1.623 174.229 175.800 0.086 0.000 1.126 3 F CA -0.737 57.324 58.000 0.101 0.000 0.959 3 F CB 1.920 40.965 39.000 0.076 0.000 1.297 3 F HN 0.202 nan 8.300 nan 0.000 0.441 4 T N 2.970 117.699 114.554 0.292 0.000 2.840 4 T HA 0.690 5.041 4.350 0.002 0.000 0.287 4 T C -0.872 173.975 174.700 0.245 0.000 0.991 4 T CA -0.588 61.622 62.100 0.184 0.000 0.964 4 T CB 1.443 70.373 68.868 0.103 0.000 0.954 4 T HN 1.049 nan 8.240 nan 0.000 0.438 5 V N 0.477 120.537 119.914 0.243 0.000 3.130 5 V HA 0.670 4.791 4.120 0.002 0.000 0.310 5 V C -0.377 175.768 176.094 0.085 0.000 1.158 5 V CA -1.312 61.101 62.300 0.189 0.000 1.029 5 V CB 2.044 34.015 31.823 0.247 0.000 1.057 5 V HN 0.815 nan 8.190 nan 0.000 0.436 6 E N 1.139 121.328 120.200 -0.018 0.000 2.338 6 E HA 0.208 4.559 4.350 0.002 0.000 0.272 6 E C 1.107 177.642 176.600 -0.109 0.000 1.029 6 E CA -0.130 56.178 56.400 -0.154 0.000 0.872 6 E CB 1.159 30.579 29.700 -0.466 0.000 1.015 6 E HN 0.755 nan 8.360 nan 0.000 0.417 7 R N 3.183 123.632 120.500 -0.085 0.000 2.113 7 R HA -0.262 4.079 4.340 0.002 0.000 0.244 7 R C 1.254 177.526 176.300 -0.046 0.000 1.142 7 R CA 2.399 58.461 56.100 -0.065 0.000 0.953 7 R CB 0.007 30.260 30.300 -0.077 0.000 0.860 7 R HN 0.532 nan 8.270 nan 0.000 0.438 8 E N -0.435 119.723 120.200 -0.070 0.000 2.153 8 E HA -0.147 4.204 4.350 0.002 0.000 0.194 8 E C 1.641 178.318 176.600 0.128 0.000 0.988 8 E CA 1.556 57.961 56.400 0.007 0.000 0.811 8 E CB -0.210 29.490 29.700 -0.001 0.000 0.746 8 E HN 0.666 nan 8.360 nan 0.000 0.466 9 H N -1.216 117.870 119.070 0.025 0.000 2.555 9 H HA 0.047 4.603 4.556 0.001 0.000 0.269 9 H C 1.291 176.637 175.328 0.030 0.000 0.988 9 H CA -0.057 56.004 56.048 0.021 0.000 1.178 9 H CB 0.406 30.174 29.762 0.010 0.000 1.373 9 H HN 0.035 nan 8.280 nan 0.000 0.588 10 L N -0.078 121.233 121.223 0.147 0.000 2.388 10 L HA 0.068 4.409 4.340 0.002 0.000 0.209 10 L C 1.766 178.707 176.870 0.119 0.000 1.061 10 L CA 0.799 55.706 54.840 0.113 0.000 0.834 10 L CB 0.010 42.120 42.059 0.085 0.000 1.029 10 L HN 0.188 nan 8.230 nan 0.000 0.473 11 L N -0.231 121.061 121.223 0.116 0.000 2.079 11 L HA -0.234 4.107 4.340 0.002 0.000 0.210 11 L C 2.520 179.534 176.870 0.239 0.000 1.081 11 L CA 1.459 56.425 54.840 0.209 0.000 0.752 11 L CB -0.612 41.529 42.059 0.136 0.000 0.896 11 L HN 0.255 nan 8.230 nan 0.000 0.433 12 K N 0.738 121.249 120.400 0.184 0.000 1.991 12 K HA -0.135 4.186 4.320 0.002 0.000 0.212 12 K C -0.538 176.206 176.600 0.241 0.000 1.049 12 K CA 1.633 58.036 56.287 0.194 0.000 0.932 12 K CB -1.365 31.260 32.500 0.209 0.000 0.717 12 K HN 0.057 nan 8.250 nan 0.000 0.441 13 P HA -0.132 nan 4.420 nan 0.000 0.214 13 P C 1.319 178.732 177.300 0.189 0.000 1.163 13 P CA 1.360 64.674 63.100 0.357 0.000 0.883 13 P CB -0.027 31.787 31.700 0.191 0.000 0.788 14 L N -0.731 120.568 121.223 0.127 0.000 2.013 14 L HA -0.259 4.082 4.340 0.002 0.000 0.212 14 L C 2.791 179.535 176.870 -0.209 0.000 1.073 14 L CA 1.633 56.501 54.840 0.048 0.000 0.753 14 L CB -1.004 41.163 42.059 0.180 0.000 0.890 14 L HN 0.066 nan 8.230 nan 0.000 0.432 15 Q N -0.248 119.362 119.800 -0.317 0.000 2.084 15 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 15 Q C 2.174 177.984 176.000 -0.317 0.000 0.978 15 Q CA 1.632 57.115 55.803 -0.532 0.000 0.844 15 Q CB -0.054 28.490 28.738 -0.323 0.000 0.898 15 Q HN 0.516 nan 8.270 nan 0.000 0.426 16 Q N -0.120 119.542 119.800 -0.230 0.000 2.046 16 Q HA -0.093 4.248 4.340 0.002 0.000 0.200 16 Q C 2.127 178.012 176.000 -0.191 0.000 0.975 16 Q CA 1.730 57.343 55.803 -0.317 0.000 0.836 16 Q CB -0.356 27.965 28.738 -0.694 0.000 0.896 16 Q HN 0.461 nan 8.270 nan 0.000 0.428 17 V N -2.074 117.801 119.914 -0.065 0.000 3.305 17 V HA 0.015 4.136 4.120 0.002 0.000 0.269 17 V C 1.632 177.723 176.094 -0.005 0.000 1.157 17 V CA 1.313 63.621 62.300 0.014 0.000 1.157 17 V CB -0.157 31.718 31.823 0.086 0.000 0.772 17 V HN 0.035 nan 8.190 nan 0.000 0.498 18 S N 1.046 116.696 115.700 -0.084 0.000 2.528 18 S HA 0.192 4.663 4.470 0.002 0.000 0.219 18 S C 2.006 176.563 174.600 -0.071 0.000 0.985 18 S CA 0.740 58.891 58.200 -0.081 0.000 0.914 18 S CB 0.065 63.151 63.200 -0.191 0.000 0.776 18 S HN 0.797 nan 8.310 nan 0.000 0.526 19 G N 3.325 112.068 108.800 -0.094 0.000 2.586 19 G HA2 -0.221 3.740 3.960 0.002 0.000 0.218 19 G HA3 -0.221 3.740 3.960 0.002 0.000 0.218 19 G C -0.792 174.088 174.900 -0.033 0.000 1.216 19 G CA 1.051 46.099 45.100 -0.087 0.000 0.786 19 G HN 0.400 nan 8.290 nan 0.000 0.583 20 P HA -0.048 nan 4.420 nan 0.000 0.217 20 P C 0.458 177.778 177.300 0.033 0.000 1.151 20 P CA 0.558 63.687 63.100 0.049 0.000 0.849 20 P CB -0.093 31.663 31.700 0.093 0.000 0.787 21 L N -0.757 120.483 121.223 0.028 0.000 2.453 21 L HA 0.279 4.620 4.340 0.002 0.000 0.272 21 L C 1.603 178.482 176.870 0.014 0.000 1.182 21 L CA 1.100 55.957 54.840 0.027 0.000 0.858 21 L CB -0.255 41.825 42.059 0.035 0.000 1.120 21 L HN -0.052 nan 8.230 nan 0.000 0.474 22 G N 1.027 109.837 108.800 0.017 0.000 4.379 22 G HA2 0.516 4.477 3.960 0.002 0.000 0.290 22 G HA3 0.516 4.477 3.960 0.002 0.000 0.290 22 G C 0.410 175.320 174.900 0.016 0.000 1.065 22 G CA 0.150 45.259 45.100 0.014 0.000 0.833 22 G HN 1.020 nan 8.290 nan 0.000 0.512 23 G N 1.420 110.232 108.800 0.020 0.000 2.856 23 G HA2 0.037 3.998 3.960 0.002 0.000 0.674 23 G HA3 0.037 3.998 3.960 0.002 0.000 0.674 23 G C 0.512 175.424 174.900 0.020 0.000 1.519 23 G CA 0.067 45.180 45.100 0.022 0.000 0.940 23 G HN 1.974 nan 8.290 nan 0.000 0.564 24 R N -1.799 118.713 120.500 0.020 0.000 2.965 24 R HA -0.168 4.173 4.340 0.002 0.000 0.245 24 R C -1.671 174.638 176.300 0.014 0.000 0.861 24 R CA 0.889 56.999 56.100 0.017 0.000 0.614 24 R CB -2.019 28.289 30.300 0.014 0.000 1.229 24 R HN 0.748 nan 8.270 nan 0.000 0.503 25 P HA 0.086 nan 4.420 nan 0.000 0.274 25 P C 0.206 177.509 177.300 0.005 0.000 1.231 25 P CA -0.286 62.820 63.100 0.010 0.000 0.790 25 P CB 1.188 32.897 31.700 0.015 0.000 0.951 26 T N 0.616 115.168 114.554 -0.003 0.000 3.043 26 T HA 0.136 4.487 4.350 0.002 0.000 0.263 26 T C 0.769 175.464 174.700 -0.008 0.000 1.094 26 T CA 0.737 62.834 62.100 -0.006 0.000 1.127 26 T CB -0.197 68.664 68.868 -0.011 0.000 0.905 26 T HN 0.268 nan 8.240 nan 0.000 0.490 27 L N 1.701 122.917 121.223 -0.011 0.000 2.410 27 L HA 0.329 4.670 4.340 0.002 0.000 0.270 27 L C -1.632 175.238 176.870 -0.000 0.000 0.983 27 L CA -2.292 52.541 54.840 -0.012 0.000 0.822 27 L CB 2.881 44.922 42.059 -0.031 0.000 1.285 27 L HN -0.212 nan 8.230 nan 0.000 0.409 28 P HA -0.193 nan 4.420 nan 0.000 0.218 28 P C 1.467 178.791 177.300 0.041 0.000 1.148 28 P CA 1.325 64.442 63.100 0.027 0.000 0.822 28 P CB 0.665 32.382 31.700 0.028 0.000 0.784 29 I N -0.556 120.034 120.570 0.032 0.000 2.614 29 I HA -0.139 4.032 4.170 0.002 0.000 0.258 29 I C 2.004 178.154 176.117 0.055 0.000 1.189 29 I CA 0.766 62.103 61.300 0.062 0.000 1.462 29 I CB -0.184 37.839 38.000 0.037 0.000 1.092 29 I HN -0.185 nan 8.210 nan 0.000 0.442 30 L N 0.253 121.472 121.223 -0.006 0.000 2.622 30 L HA 0.015 4.356 4.340 0.002 0.000 0.233 30 L C 2.041 178.944 176.870 0.055 0.000 1.156 30 L CA 0.673 55.502 54.840 -0.018 0.000 0.866 30 L CB -0.697 41.336 42.059 -0.044 0.000 0.980 30 L HN 0.323 nan 8.230 nan 0.000 0.448 31 G N -1.214 107.632 108.800 0.077 0.000 3.088 31 G HA2 0.029 3.990 3.960 0.002 0.000 0.217 31 G HA3 0.029 3.990 3.960 0.002 0.000 0.217 31 G C 0.338 175.312 174.900 0.124 0.000 1.159 31 G CA -0.234 44.919 45.100 0.087 0.000 0.760 31 G HN 0.222 nan 8.290 nan 0.000 0.550 32 N N -0.254 118.550 118.700 0.175 0.000 2.459 32 N HA 0.627 5.368 4.740 0.002 0.000 0.288 32 N C -0.773 174.888 175.510 0.251 0.000 1.186 32 N CA -0.498 52.667 53.050 0.192 0.000 0.917 32 N CB 1.828 40.425 38.487 0.183 0.000 1.219 32 N HN -0.102 nan 8.380 nan 0.000 0.525 33 L N 1.152 122.447 121.223 0.119 0.000 2.317 33 L HA 0.469 4.810 4.340 0.002 0.000 0.281 33 L C -0.556 176.177 176.870 -0.228 0.000 1.024 33 L CA -1.136 53.714 54.840 0.018 0.000 0.810 33 L CB 1.383 43.491 42.059 0.083 0.000 1.240 33 L HN 0.264 nan 8.230 nan 0.000 0.427 34 L N 4.617 125.478 121.223 -0.603 0.000 2.319 34 L HA 0.401 4.742 4.340 0.002 0.000 0.280 34 L C -0.735 175.951 176.870 -0.308 0.000 1.099 34 L CA 0.338 54.760 54.840 -0.697 0.000 0.828 34 L CB 0.492 41.827 42.059 -1.206 0.000 1.150 34 L HN 0.385 nan 8.230 nan 0.000 0.442 35 L N 5.968 127.075 121.223 -0.195 0.000 2.322 35 L HA 0.562 4.903 4.340 0.002 0.000 0.281 35 L C -0.513 176.306 176.870 -0.084 0.000 1.014 35 L CA -0.559 54.222 54.840 -0.099 0.000 0.815 35 L CB 1.534 43.581 42.059 -0.021 0.000 1.247 35 L HN 0.644 nan 8.230 nan 0.000 0.421 36 Q N 2.716 122.463 119.800 -0.089 0.000 2.285 36 Q HA 0.519 4.860 4.340 0.002 0.000 0.269 36 Q C -1.369 174.588 176.000 -0.070 0.000 1.030 36 Q CA -0.557 55.209 55.803 -0.062 0.000 0.788 36 Q CB 3.555 32.254 28.738 -0.065 0.000 1.266 36 Q HN 0.355 nan 8.270 nan 0.000 0.438 37 V N 1.602 121.505 119.914 -0.018 0.000 2.417 37 V HA 0.928 5.049 4.120 0.002 0.000 0.291 37 V C -0.597 175.512 176.094 0.025 0.000 1.024 37 V CA -0.382 61.915 62.300 -0.006 0.000 0.861 37 V CB 1.343 33.223 31.823 0.096 0.000 0.985 37 V HN 0.847 nan 8.190 nan 0.000 0.436 38 A N 3.126 125.951 122.820 0.009 0.000 2.577 38 A HA 0.625 4.946 4.320 0.002 0.000 0.297 38 A C -0.238 177.361 177.584 0.025 0.000 1.060 38 A CA -0.432 51.623 52.037 0.029 0.000 0.697 38 A CB 1.007 20.010 19.000 0.005 0.000 1.281 38 A HN 0.879 nan 8.150 nan 0.000 0.402 39 D N 0.988 121.423 120.400 0.059 0.000 2.720 39 D HA 0.001 4.642 4.640 0.002 0.000 0.229 39 D C 1.339 177.671 176.300 0.054 0.000 1.198 39 D CA 2.969 57.005 54.000 0.059 0.000 0.639 39 D CB -0.778 40.033 40.800 0.018 0.000 1.003 39 D HN 2.378 nan 8.370 nan 0.000 0.411 40 G N -0.311 108.568 108.800 0.131 0.000 2.166 40 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 40 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 40 G C 0.423 175.162 174.900 -0.267 0.000 0.986 40 G CA 0.634 45.678 45.100 -0.094 0.000 0.683 40 G HN 0.656 nan 8.290 nan 0.000 0.527 41 T N -0.117 114.317 114.554 -0.200 0.000 2.893 41 T HA 0.580 4.931 4.350 0.002 0.000 0.293 41 T C -0.691 173.879 174.700 -0.217 0.000 1.027 41 T CA -0.526 61.455 62.100 -0.200 0.000 0.988 41 T CB 2.304 71.093 68.868 -0.132 0.000 1.043 41 T HN 0.778 nan 8.240 nan 0.000 0.461 42 L N 2.674 123.736 121.223 -0.267 0.000 2.272 42 L HA 0.726 5.067 4.340 0.002 0.000 0.289 42 L C -0.498 176.238 176.870 -0.223 0.000 1.032 42 L CA 0.091 54.736 54.840 -0.326 0.000 0.810 42 L CB 1.126 42.846 42.059 -0.565 0.000 1.205 42 L HN 0.568 nan 8.230 nan 0.000 0.422 43 S N 6.056 121.655 115.700 -0.169 0.000 2.472 43 S HA 0.789 5.260 4.470 0.002 0.000 0.303 43 S C -0.992 173.550 174.600 -0.096 0.000 1.099 43 S CA -0.636 57.498 58.200 -0.112 0.000 1.077 43 S CB 1.327 64.478 63.200 -0.081 0.000 1.031 43 S HN 0.462 nan 8.310 nan 0.000 0.487 44 L N 2.932 124.125 121.223 -0.050 0.000 2.362 44 L HA 0.643 4.984 4.340 0.002 0.000 0.275 44 L C -0.028 176.844 176.870 0.003 0.000 0.998 44 L CA -0.382 54.445 54.840 -0.020 0.000 0.820 44 L CB 1.049 43.137 42.059 0.047 0.000 1.270 44 L HN 0.572 nan 8.230 nan 0.000 0.415 45 T N 1.118 115.645 114.554 -0.046 0.000 2.893 45 T HA 0.786 5.137 4.350 0.002 0.000 0.293 45 T C 0.066 174.823 174.700 0.095 0.000 1.027 45 T CA -0.694 61.421 62.100 0.025 0.000 0.988 45 T CB 2.386 71.264 68.868 0.016 0.000 1.043 45 T HN 0.816 nan 8.240 nan 0.000 0.461 46 G N 0.455 109.369 108.800 0.190 0.000 2.542 46 G HA2 0.692 4.653 3.960 0.002 0.000 0.311 46 G HA3 0.692 4.653 3.960 0.002 0.000 0.311 46 G C -1.052 173.995 174.900 0.245 0.000 1.298 46 G CA -0.569 44.672 45.100 0.236 0.000 0.973 46 G HN 0.783 nan 8.290 nan 0.000 0.487 47 T N -0.843 113.843 114.554 0.220 0.000 2.802 47 T HA 0.472 4.823 4.350 0.002 0.000 0.311 47 T C -1.229 173.480 174.700 0.015 0.000 1.405 47 T CA -0.196 61.960 62.100 0.094 0.000 1.016 47 T CB 1.979 70.864 68.868 0.030 0.000 1.352 47 T HN 0.627 nan 8.240 nan 0.000 0.498 48 D N 1.861 122.257 120.400 -0.006 0.000 2.582 48 D HA 0.295 4.936 4.640 0.002 0.000 0.246 48 D C 1.449 177.721 176.300 -0.048 0.000 1.334 48 D CA -0.131 53.855 54.000 -0.023 0.000 0.805 48 D CB -0.479 40.326 40.800 0.007 0.000 1.087 48 D HN 0.593 nan 8.370 nan 0.000 0.499 49 L N -1.448 119.730 121.223 -0.076 0.000 3.704 49 L HA -0.319 4.022 4.340 0.002 0.000 0.396 49 L C 1.544 178.375 176.870 -0.066 0.000 0.713 49 L CA 1.669 56.459 54.840 -0.083 0.000 2.823 49 L CB -1.191 40.821 42.059 -0.078 0.000 0.891 49 L HN 0.185 nan 8.230 nan 0.000 0.687 50 E N 0.579 120.750 120.200 -0.047 0.000 2.216 50 E HA 0.140 4.491 4.350 0.002 0.000 0.192 50 E C 0.609 177.166 176.600 -0.072 0.000 0.973 50 E CA 1.266 57.636 56.400 -0.050 0.000 0.851 50 E CB 0.376 30.064 29.700 -0.020 0.000 0.804 50 E HN 0.535 nan 8.360 nan 0.000 0.477 51 M N -1.144 118.429 119.600 -0.044 0.000 2.813 51 M HA 0.514 4.995 4.480 0.002 0.000 0.270 51 M C -1.680 174.613 176.300 -0.012 0.000 1.267 51 M CA -0.917 54.334 55.300 -0.081 0.000 0.822 51 M CB 2.426 35.040 32.600 0.023 0.000 1.671 51 M HN -0.116 nan 8.290 nan 0.000 0.468 52 E N 1.275 121.454 120.200 -0.036 0.000 2.372 52 E HA 0.689 5.040 4.350 0.002 0.000 0.279 52 E C -1.976 174.715 176.600 0.153 0.000 0.946 52 E CA -0.970 55.476 56.400 0.077 0.000 0.769 52 E CB 2.770 32.510 29.700 0.067 0.000 1.230 52 E HN 0.738 nan 8.360 nan 0.000 0.442 53 M N 2.835 122.558 119.600 0.206 0.000 2.253 53 M HA 0.414 4.895 4.480 0.002 0.000 0.314 53 M C -2.154 174.253 176.300 0.179 0.000 1.019 53 M CA -0.715 54.724 55.300 0.233 0.000 0.932 53 M CB 1.943 34.647 32.600 0.173 0.000 1.606 53 M HN 0.479 nan 8.290 nan 0.000 0.430 54 V N 4.315 124.339 119.914 0.184 0.000 2.495 54 V HA 0.959 5.080 4.120 0.002 0.000 0.298 54 V C -0.408 175.810 176.094 0.207 0.000 1.031 54 V CA -0.713 61.676 62.300 0.149 0.000 0.871 54 V CB 1.343 33.217 31.823 0.085 0.000 0.988 54 V HN 0.971 nan 8.190 nan 0.000 0.432 55 A N 5.434 128.349 122.820 0.158 0.000 2.365 55 A HA 0.904 5.225 4.320 0.002 0.000 0.318 55 A C -0.438 177.095 177.584 -0.084 0.000 1.091 55 A CA -0.830 51.239 52.037 0.053 0.000 0.763 55 A CB 1.376 20.510 19.000 0.223 0.000 1.248 55 A HN 0.815 nan 8.150 nan 0.000 0.442 56 R N 0.927 121.308 120.500 -0.199 0.000 2.534 56 R HA 0.630 4.971 4.340 0.002 0.000 0.301 56 R C -1.525 174.651 176.300 -0.206 0.000 0.961 56 R CA -0.648 55.350 56.100 -0.171 0.000 0.871 56 R CB 2.259 32.474 30.300 -0.142 0.000 1.170 56 R HN 0.428 nan 8.270 nan 0.000 0.446 57 V N 2.013 121.818 119.914 -0.182 0.000 2.487 57 V HA 0.453 4.574 4.120 0.002 0.000 0.298 57 V C 0.047 176.037 176.094 -0.174 0.000 1.028 57 V CA -1.051 61.145 62.300 -0.173 0.000 0.860 57 V CB 1.772 33.510 31.823 -0.143 0.000 0.991 57 V HN 0.936 nan 8.190 nan 0.000 0.427 58 A N 5.782 128.509 122.820 -0.155 0.000 2.450 58 A HA 0.607 4.928 4.320 0.002 0.000 0.255 58 A C -0.247 177.259 177.584 -0.129 0.000 1.096 58 A CA -0.089 51.864 52.037 -0.140 0.000 0.778 58 A CB -0.055 18.875 19.000 -0.116 0.000 1.031 58 A HN 0.830 nan 8.150 nan 0.000 0.494 59 L N 4.347 125.459 121.223 -0.184 0.000 2.270 59 L HA 0.213 4.554 4.340 0.002 0.000 0.286 59 L C 1.173 178.000 176.870 -0.072 0.000 1.059 59 L CA -0.549 54.181 54.840 -0.184 0.000 0.839 59 L CB 1.191 42.958 42.059 -0.488 0.000 1.221 59 L HN 0.761 nan 8.230 nan 0.000 0.431 60 V N -0.239 119.686 119.914 0.019 0.000 3.541 60 V HA 0.104 4.225 4.120 0.002 0.000 0.267 60 V C 0.818 176.973 176.094 0.100 0.000 1.213 60 V CA 0.304 62.638 62.300 0.057 0.000 1.149 60 V CB -0.494 31.363 31.823 0.057 0.000 0.822 60 V HN 0.763 nan 8.190 nan 0.000 0.462 61 Q N 0.460 120.340 119.800 0.133 0.000 2.297 61 Q HA 0.496 4.837 4.340 0.002 0.000 0.269 61 Q C -2.657 173.492 176.000 0.250 0.000 1.051 61 Q CA -2.378 53.517 55.803 0.153 0.000 0.869 61 Q CB 1.235 30.051 28.738 0.130 0.000 1.346 61 Q HN 0.152 nan 8.270 nan 0.000 0.457 62 P HA -0.105 nan 4.420 nan 0.000 0.263 62 P C -1.198 176.221 177.300 0.199 0.000 1.175 62 P CA 0.837 64.006 63.100 0.115 0.000 0.761 62 P CB 0.340 32.067 31.700 0.046 0.000 0.794 63 H N 0.111 119.223 119.070 0.071 0.000 2.990 63 H HA 0.571 5.128 4.556 0.002 0.000 0.336 63 H C -1.198 174.173 175.328 0.072 0.000 1.306 63 H CA -1.006 55.101 56.048 0.099 0.000 1.118 63 H CB 1.553 31.392 29.762 0.128 0.000 1.856 63 H HN 0.336 nan 8.280 nan 0.000 0.538 64 E N 1.476 121.769 120.200 0.155 0.000 2.292 64 E HA 0.288 4.639 4.350 0.002 0.000 0.272 64 E C -2.816 173.869 176.600 0.142 0.000 0.881 64 E CA -2.085 54.359 56.400 0.073 0.000 0.754 64 E CB 3.352 33.078 29.700 0.044 0.000 1.201 64 E HN 0.368 nan 8.360 nan 0.000 0.425 65 P HA 0.258 nan 4.420 nan 0.000 0.272 65 P C 0.023 177.367 177.300 0.073 0.000 1.240 65 P CA 0.207 63.367 63.100 0.099 0.000 0.791 65 P CB 1.033 32.774 31.700 0.068 0.000 0.978 66 G N -1.008 107.828 108.800 0.060 0.000 2.368 66 G HA2 0.512 4.473 3.960 0.002 0.000 0.302 66 G HA3 0.512 4.473 3.960 0.002 0.000 0.302 66 G C -2.104 172.818 174.900 0.037 0.000 1.329 66 G CA -0.038 45.089 45.100 0.044 0.000 0.935 66 G HN 0.644 nan 8.290 nan 0.000 0.590 67 A N -1.307 121.526 122.820 0.022 0.000 2.612 67 A HA 1.059 5.380 4.320 0.002 0.000 0.293 67 A C -0.326 177.254 177.584 -0.007 0.000 1.075 67 A CA 0.538 52.576 52.037 0.001 0.000 0.680 67 A CB 1.712 20.701 19.000 -0.017 0.000 1.279 67 A HN 2.288 nan 8.150 nan 0.000 0.411 68 T N -0.665 113.870 114.554 -0.031 0.000 2.693 68 T HA 0.756 5.107 4.350 0.002 0.000 0.304 68 T C -1.205 173.449 174.700 -0.078 0.000 1.471 68 T CA 0.446 62.525 62.100 -0.036 0.000 0.993 68 T CB 1.464 70.314 68.868 -0.029 0.000 1.554 68 T HN 2.111 nan 8.240 nan 0.000 0.496 69 T N -0.408 114.112 114.554 -0.056 0.000 2.900 69 T HA 0.808 5.159 4.350 0.002 0.000 0.295 69 T C -0.597 174.081 174.700 -0.038 0.000 1.044 69 T CA -0.370 61.690 62.100 -0.066 0.000 0.995 69 T CB 1.117 69.994 68.868 0.016 0.000 1.072 69 T HN 1.279 nan 8.240 nan 0.000 0.473 70 V N -1.515 118.373 119.914 -0.044 0.000 3.114 70 V HA 0.782 4.903 4.120 0.002 0.000 0.308 70 V C -3.248 172.870 176.094 0.041 0.000 1.168 70 V CA -3.243 59.036 62.300 -0.035 0.000 1.015 70 V CB 1.510 33.238 31.823 -0.158 0.000 1.050 70 V HN 0.698 nan 8.190 nan 0.000 0.433 71 P HA 0.184 nan 4.420 nan 0.000 0.260 71 P C 0.735 178.136 177.300 0.168 0.000 1.185 71 P CA 0.966 64.132 63.100 0.110 0.000 0.763 71 P CB 0.921 32.682 31.700 0.102 0.000 0.776 72 A N 5.533 128.453 122.820 0.167 0.000 1.845 72 A HA -0.228 4.093 4.320 0.002 0.000 0.215 72 A C 2.275 179.996 177.584 0.229 0.000 1.195 72 A CA 1.328 53.487 52.037 0.204 0.000 0.616 72 A CB -0.829 18.256 19.000 0.140 0.000 0.832 72 A HN 0.352 nan 8.150 nan 0.000 0.443 73 R N 0.248 120.850 120.500 0.171 0.000 2.097 73 R HA -0.151 4.190 4.340 0.002 0.000 0.236 73 R C 2.110 178.522 176.300 0.188 0.000 1.135 73 R CA 2.196 58.403 56.100 0.178 0.000 0.934 73 R CB -0.698 29.675 30.300 0.122 0.000 0.846 73 R HN 0.661 nan 8.270 nan 0.000 0.431 74 K N -0.831 119.662 120.400 0.157 0.000 2.032 74 K HA -0.182 4.139 4.320 0.002 0.000 0.209 74 K C 2.075 178.765 176.600 0.150 0.000 1.048 74 K CA 1.646 58.009 56.287 0.128 0.000 0.927 74 K CB -0.419 32.155 32.500 0.123 0.000 0.712 74 K HN 0.099 nan 8.250 nan 0.000 0.441 75 F N 1.015 120.993 119.950 0.045 0.000 2.146 75 F HA -0.159 4.369 4.527 0.003 0.000 0.298 75 F C 1.963 177.790 175.800 0.046 0.000 1.096 75 F CA 0.843 58.859 58.000 0.028 0.000 1.275 75 F CB -0.456 38.588 39.000 0.073 0.000 1.008 75 F HN -0.051 nan 8.300 nan 0.000 0.480 76 F N 1.374 121.254 119.950 -0.117 0.000 2.113 76 F HA -0.147 4.378 4.527 -0.004 0.000 0.297 76 F C 2.171 177.855 175.800 -0.194 0.000 1.103 76 F CA 2.012 59.882 58.000 -0.216 0.000 1.248 76 F CB -0.850 38.102 39.000 -0.080 0.000 0.999 76 F HN -0.096 nan 8.300 nan 0.000 0.475 77 D N 0.630 120.883 120.400 -0.245 0.000 2.117 77 D HA -0.175 4.466 4.640 0.002 0.000 0.197 77 D C 2.541 178.624 176.300 -0.363 0.000 0.987 77 D CA 1.624 55.429 54.000 -0.325 0.000 0.829 77 D CB -0.428 40.306 40.800 -0.111 0.000 0.961 77 D HN 0.354 nan 8.370 nan 0.000 0.460 78 I N 0.507 120.869 120.570 -0.348 0.000 2.127 78 I HA -0.317 3.854 4.170 0.002 0.000 0.241 78 I C 2.431 178.258 176.117 -0.483 0.000 1.075 78 I CA 0.855 61.851 61.300 -0.507 0.000 1.334 78 I CB -0.238 37.384 38.000 -0.631 0.000 1.040 78 I HN 0.087 nan 8.210 nan 0.000 0.405 79 C N 0.124 119.128 119.300 -0.494 0.000 2.429 79 C HA -0.166 4.295 4.460 0.002 0.000 0.277 79 C C 2.953 177.712 174.990 -0.384 0.000 1.262 79 C CA 0.862 59.624 59.018 -0.426 0.000 1.733 79 C CB -1.262 26.176 27.740 -0.503 0.000 2.010 79 C HN 0.459 nan 8.230 nan 0.000 0.483 80 R N 0.867 121.049 120.500 -0.531 0.000 2.096 80 R HA -0.080 4.261 4.340 0.002 0.000 0.235 80 R C 2.155 178.277 176.300 -0.297 0.000 1.127 80 R CA 1.727 57.533 56.100 -0.490 0.000 0.968 80 R CB -0.506 29.334 30.300 -0.766 0.000 0.861 80 R HN 0.559 nan 8.270 nan 0.000 0.440 81 G N 0.453 109.089 108.800 -0.274 0.000 2.650 81 G HA2 0.049 4.010 3.960 0.002 0.000 0.214 81 G HA3 0.049 4.010 3.960 0.002 0.000 0.214 81 G C 0.543 175.374 174.900 -0.115 0.000 1.136 81 G CA -0.151 44.848 45.100 -0.169 0.000 0.789 81 G HN 0.103 nan 8.290 nan 0.000 0.536 82 L N 1.449 122.593 121.223 -0.133 0.000 2.466 82 L HA 0.275 4.616 4.340 0.002 0.000 0.257 82 L C -1.559 175.276 176.870 -0.059 0.000 1.189 82 L CA -1.865 52.935 54.840 -0.067 0.000 0.813 82 L CB 0.746 42.765 42.059 -0.067 0.000 1.118 82 L HN -0.019 nan 8.230 nan 0.000 0.471 83 P HA 0.048 nan 4.420 nan 0.000 0.271 83 P C -0.842 176.435 177.300 -0.037 0.000 1.218 83 P CA -0.379 62.703 63.100 -0.030 0.000 0.780 83 P CB 0.519 32.211 31.700 -0.014 0.000 0.901 84 E N 0.641 120.820 120.200 -0.036 0.000 2.502 84 E HA 0.123 4.474 4.350 0.002 0.000 0.261 84 E C 1.223 177.801 176.600 -0.036 0.000 0.974 84 E CA 1.169 57.547 56.400 -0.037 0.000 0.936 84 E CB -0.302 29.381 29.700 -0.027 0.000 0.926 84 E HN 0.824 nan 8.360 nan 0.000 0.459 85 G N 2.100 110.871 108.800 -0.048 0.000 2.179 85 G HA2 -0.336 3.625 3.960 0.002 0.000 0.260 85 G HA3 -0.336 3.625 3.960 0.002 0.000 0.260 85 G C 0.382 175.254 174.900 -0.047 0.000 0.977 85 G CA 0.071 45.139 45.100 -0.053 0.000 0.641 85 G HN 0.810 nan 8.290 nan 0.000 0.533 86 A N -0.019 122.777 122.820 -0.041 0.000 2.483 86 A HA 0.516 4.837 4.320 0.002 0.000 0.238 86 A C 0.540 178.109 177.584 -0.025 0.000 1.070 86 A CA 0.336 52.358 52.037 -0.026 0.000 0.770 86 A CB 0.318 19.305 19.000 -0.021 0.000 1.008 86 A HN 0.381 nan 8.150 nan 0.000 0.497 87 E N 1.233 121.429 120.200 -0.006 0.000 2.174 87 E HA 0.379 4.730 4.350 0.002 0.000 0.282 87 E C -0.949 175.665 176.600 0.024 0.000 0.992 87 E CA -0.057 56.347 56.400 0.007 0.000 0.803 87 E CB 1.047 30.754 29.700 0.012 0.000 1.090 87 E HN 0.534 nan 8.360 nan 0.000 0.396 88 I N 2.595 123.189 120.570 0.039 0.000 2.354 88 I HA 0.310 4.481 4.170 0.002 0.000 0.286 88 I C -0.034 176.104 176.117 0.035 0.000 1.007 88 I CA -0.661 60.670 61.300 0.052 0.000 1.167 88 I CB 1.515 39.556 38.000 0.069 0.000 1.320 88 I HN 0.364 nan 8.210 nan 0.000 0.458 89 A N 6.905 129.724 122.820 -0.003 0.000 2.274 89 A HA 0.763 5.084 4.320 0.002 0.000 0.309 89 A C -0.486 177.001 177.584 -0.161 0.000 1.226 89 A CA -0.410 51.584 52.037 -0.072 0.000 0.853 89 A CB 0.942 19.923 19.000 -0.032 0.000 1.146 89 A HN 0.475 nan 8.150 nan 0.000 0.518 90 V N 3.552 123.222 119.914 -0.407 0.000 2.604 90 V HA 0.641 4.762 4.120 0.002 0.000 0.305 90 V C -0.378 175.476 176.094 -0.401 0.000 1.043 90 V CA -0.458 61.551 62.300 -0.486 0.000 0.888 90 V CB 1.605 32.875 31.823 -0.921 0.000 0.995 90 V HN 1.080 nan 8.190 nan 0.000 0.429 91 Q N 3.662 123.333 119.800 -0.214 0.000 2.340 91 Q HA 0.690 5.031 4.340 0.002 0.000 0.276 91 Q C -1.682 174.270 176.000 -0.080 0.000 1.048 91 Q CA -0.990 54.740 55.803 -0.123 0.000 0.832 91 Q CB 2.585 31.277 28.738 -0.076 0.000 1.373 91 Q HN 0.532 nan 8.270 nan 0.000 0.409 92 L N 2.076 123.270 121.223 -0.048 0.000 2.319 92 L HA 0.287 4.628 4.340 0.002 0.000 0.280 92 L C -0.583 176.273 176.870 -0.022 0.000 1.099 92 L CA 0.672 55.493 54.840 -0.032 0.000 0.828 92 L CB 0.610 42.661 42.059 -0.014 0.000 1.150 92 L HN 0.715 nan 8.230 nan 0.000 0.442 93 E N 5.050 125.238 120.200 -0.020 0.000 3.037 93 E HA 0.384 4.735 4.350 0.002 0.000 0.220 93 E C 0.558 177.154 176.600 -0.008 0.000 1.142 93 E CA 0.354 56.746 56.400 -0.013 0.000 0.888 93 E CB 0.770 30.461 29.700 -0.014 0.000 1.329 93 E HN 0.949 nan 8.360 nan 0.000 0.409 94 G N 3.030 111.827 108.800 -0.005 0.000 2.557 94 G HA2 -0.343 3.618 3.960 0.002 0.000 0.292 94 G HA3 -0.343 3.618 3.960 0.002 0.000 0.292 94 G C 0.612 175.512 174.900 -0.000 0.000 1.162 94 G CA 0.016 45.115 45.100 -0.002 0.000 0.964 94 G HN 0.423 nan 8.290 nan 0.000 0.541 95 E N 2.052 122.253 120.200 0.002 0.000 2.476 95 E HA 0.191 4.542 4.350 0.002 0.000 0.191 95 E C 1.238 177.839 176.600 0.003 0.000 1.064 95 E CA 1.134 57.536 56.400 0.004 0.000 0.866 95 E CB 0.238 29.942 29.700 0.007 0.000 0.952 95 E HN 0.751 nan 8.360 nan 0.000 0.492 96 R N -0.571 119.928 120.500 -0.002 0.000 2.774 96 R HA 0.530 4.871 4.340 0.002 0.000 0.272 96 R C -0.713 175.577 176.300 -0.017 0.000 1.000 96 R CA -0.644 55.453 56.100 -0.005 0.000 0.906 96 R CB 0.846 31.149 30.300 0.004 0.000 1.227 96 R HN -0.092 nan 8.270 nan 0.000 0.468 97 M N 2.845 122.427 119.600 -0.029 0.000 2.205 97 M HA 0.431 4.912 4.480 0.002 0.000 0.344 97 M C -1.410 174.871 176.300 -0.032 0.000 1.085 97 M CA -1.374 53.893 55.300 -0.056 0.000 1.001 97 M CB 1.382 33.913 32.600 -0.113 0.000 1.626 97 M HN 0.764 nan 8.290 nan 0.000 0.442 98 L N 6.634 127.837 121.223 -0.033 0.000 2.292 98 L HA 0.596 4.937 4.340 0.002 0.000 0.284 98 L C -1.418 175.455 176.870 0.005 0.000 1.065 98 L CA -0.191 54.649 54.840 -0.000 0.000 0.806 98 L CB 1.473 43.525 42.059 -0.012 0.000 1.175 98 L HN 0.534 nan 8.230 nan 0.000 0.431 99 V N 6.041 126.016 119.914 0.101 0.000 2.448 99 V HA 0.624 4.745 4.120 0.002 0.000 0.295 99 V C -0.136 176.080 176.094 0.203 0.000 1.025 99 V CA -0.660 61.734 62.300 0.156 0.000 0.859 99 V CB 1.550 33.538 31.823 0.275 0.000 0.988 99 V HN 0.747 nan 8.190 nan 0.000 0.431 100 R N 2.476 123.047 120.500 0.118 0.000 2.621 100 R HA 0.813 5.154 4.340 0.002 0.000 0.292 100 R C -0.920 175.438 176.300 0.097 0.000 0.969 100 R CA -0.541 55.618 56.100 0.098 0.000 0.887 100 R CB 2.211 32.528 30.300 0.029 0.000 1.180 100 R HN 0.666 nan 8.270 nan 0.000 0.450 101 S N 0.942 116.706 115.700 0.107 0.000 2.605 101 S HA 0.500 4.971 4.470 0.002 0.000 0.279 101 S C 0.325 174.963 174.600 0.063 0.000 1.166 101 S CA 0.367 58.615 58.200 0.081 0.000 0.975 101 S CB 1.209 64.467 63.200 0.097 0.000 1.111 101 S HN 0.961 nan 8.310 nan 0.000 0.465 102 G N 5.134 113.954 108.800 0.034 0.000 2.646 102 G HA2 -0.304 3.657 3.960 0.002 0.000 0.324 102 G HA3 -0.304 3.657 3.960 0.002 0.000 0.324 102 G C 0.260 175.166 174.900 0.010 0.000 1.195 102 G CA 0.792 45.905 45.100 0.021 0.000 0.976 102 G HN 0.818 nan 8.290 nan 0.000 0.546 103 R N 0.581 121.084 120.500 0.006 0.000 2.662 103 R HA 0.462 4.803 4.340 0.002 0.000 0.396 103 R C -0.352 175.922 176.300 -0.044 0.000 1.096 103 R CA 0.256 56.345 56.100 -0.018 0.000 1.081 103 R CB 0.819 31.108 30.300 -0.018 0.000 1.382 103 R HN 0.284 nan 8.270 nan 0.000 0.580 104 S N 0.774 116.459 115.700 -0.024 0.000 2.454 104 S HA 0.510 4.981 4.470 0.002 0.000 0.306 104 S C -0.314 174.155 174.600 -0.219 0.000 1.100 104 S CA -0.720 57.414 58.200 -0.109 0.000 1.087 104 S CB 1.983 65.281 63.200 0.164 0.000 1.019 104 S HN 0.200 nan 8.310 nan 0.000 0.480 105 R N 1.444 121.594 120.500 -0.582 0.000 2.621 105 R HA 0.623 4.964 4.340 0.002 0.000 0.292 105 R C -1.690 174.095 176.300 -0.858 0.000 0.969 105 R CA -0.505 55.327 56.100 -0.448 0.000 0.887 105 R CB 1.450 31.605 30.300 -0.242 0.000 1.180 105 R HN 0.523 nan 8.270 nan 0.000 0.450 106 F N 0.112 120.070 119.950 0.014 0.000 2.557 106 F HA 0.326 4.855 4.527 0.003 0.000 0.316 106 F C 0.053 175.863 175.800 0.016 0.000 1.141 106 F CA -0.753 57.262 58.000 0.025 0.000 0.922 106 F CB 2.436 41.467 39.000 0.052 0.000 1.194 106 F HN 0.279 nan 8.300 nan 0.000 0.443 107 S N 4.910 120.693 115.700 0.140 0.000 2.474 107 S HA 0.774 5.245 4.470 0.002 0.000 0.321 107 S C -0.955 173.699 174.600 0.090 0.000 1.080 107 S CA -0.434 57.814 58.200 0.081 0.000 1.106 107 S CB 0.210 63.429 63.200 0.032 0.000 0.984 107 S HN 0.587 nan 8.310 nan 0.000 0.464 108 L N 4.069 125.333 121.223 0.068 0.000 2.325 108 L HA 0.550 4.891 4.340 0.002 0.000 0.278 108 L C 0.661 177.545 176.870 0.024 0.000 1.023 108 L CA -0.880 53.992 54.840 0.054 0.000 0.811 108 L CB 2.022 44.104 42.059 0.038 0.000 1.249 108 L HN 0.745 nan 8.230 nan 0.000 0.431 109 S N 0.430 116.148 115.700 0.030 0.000 2.585 109 S HA 0.510 4.981 4.470 0.002 0.000 0.273 109 S C 0.004 174.613 174.600 0.014 0.000 1.339 109 S CA -0.503 57.711 58.200 0.023 0.000 1.028 109 S CB 1.177 64.395 63.200 0.030 0.000 0.906 109 S HN 0.734 nan 8.310 nan 0.000 0.528 110 T N -0.272 114.289 114.554 0.012 0.000 2.888 110 T HA 0.751 5.102 4.350 0.002 0.000 0.288 110 T C -0.677 174.038 174.700 0.026 0.000 1.063 110 T CA -1.065 61.041 62.100 0.010 0.000 1.010 110 T CB 0.803 69.668 68.868 -0.005 0.000 1.214 110 T HN 0.647 nan 8.240 nan 0.000 0.533 111 L N 0.817 122.062 121.223 0.036 0.000 2.455 111 L HA 0.489 4.830 4.340 0.002 0.000 0.264 111 L C -2.740 174.164 176.870 0.056 0.000 0.968 111 L CA -2.637 52.234 54.840 0.052 0.000 0.827 111 L CB 2.803 44.908 42.059 0.077 0.000 1.317 111 L HN 0.485 nan 8.230 nan 0.000 0.407 112 P HA -0.076 nan 4.420 nan 0.000 0.260 112 P C 0.263 177.608 177.300 0.076 0.000 1.172 112 P CA 0.302 63.432 63.100 0.051 0.000 0.760 112 P CB 0.844 32.572 31.700 0.045 0.000 0.773 113 A N 5.021 127.873 122.820 0.052 0.000 1.978 113 A HA -0.182 4.139 4.320 0.002 0.000 0.220 113 A C 2.129 179.778 177.584 0.109 0.000 1.170 113 A CA 1.970 54.041 52.037 0.056 0.000 0.636 113 A CB -1.388 17.612 19.000 0.001 0.000 0.810 113 A HN 0.546 nan 8.150 nan 0.000 0.448 114 A N -0.216 122.650 122.820 0.077 0.000 2.024 114 A HA -0.159 4.162 4.320 0.002 0.000 0.220 114 A C 1.500 179.137 177.584 0.088 0.000 1.164 114 A CA 1.724 53.805 52.037 0.073 0.000 0.643 114 A CB -0.366 18.663 19.000 0.048 0.000 0.806 114 A HN 0.477 nan 8.150 nan 0.000 0.451 115 D N -1.826 118.635 120.400 0.101 0.000 2.349 115 D HA 0.098 4.739 4.640 0.002 0.000 0.215 115 D C -0.041 176.324 176.300 0.107 0.000 1.016 115 D CA -0.089 53.961 54.000 0.083 0.000 0.870 115 D CB -0.121 40.718 40.800 0.065 0.000 0.917 115 D HN 0.399 nan 8.370 nan 0.000 0.524 116 F N 2.395 122.352 119.950 0.012 0.000 2.543 116 F HA 0.176 4.704 4.527 0.000 0.000 0.375 116 F C -1.799 174.009 175.800 0.012 0.000 1.075 116 F CA -2.056 55.952 58.000 0.013 0.000 1.225 116 F CB 0.483 39.492 39.000 0.016 0.000 1.099 116 F HN -0.245 nan 8.300 nan 0.000 0.561 117 P HA -0.068 nan 4.420 nan 0.000 0.264 117 P C -1.260 175.982 177.300 -0.097 0.000 1.179 117 P CA 0.400 63.329 63.100 -0.285 0.000 0.763 117 P CB 0.276 31.733 31.700 -0.405 0.000 0.806 118 N N 2.423 121.117 118.700 -0.009 0.000 2.609 118 N HA 0.207 4.948 4.740 0.002 0.000 0.268 118 N C -0.694 174.840 175.510 0.039 0.000 1.106 118 N CA -0.446 52.640 53.050 0.061 0.000 0.823 118 N CB 0.411 38.947 38.487 0.082 0.000 1.263 118 N HN 0.275 nan 8.380 nan 0.000 0.533 119 L N 2.357 123.604 121.223 0.040 0.000 2.601 119 L HA -0.047 4.294 4.340 0.002 0.000 0.277 119 L C 0.066 176.986 176.870 0.084 0.000 1.219 119 L CA 0.340 55.204 54.840 0.039 0.000 0.915 119 L CB -0.033 42.048 42.059 0.037 0.000 1.160 119 L HN 0.516 nan 8.230 nan 0.000 0.494 120 D N 2.794 123.239 120.400 0.075 0.000 2.455 120 D HA 0.018 4.659 4.640 0.002 0.000 0.241 120 D C 0.072 176.490 176.300 0.197 0.000 1.138 120 D CA -0.009 54.050 54.000 0.099 0.000 0.877 120 D CB 0.444 41.285 40.800 0.069 0.000 1.187 120 D HN 0.318 nan 8.370 nan 0.000 0.451 121 D N 1.890 122.377 120.400 0.145 0.000 2.390 121 D HA 0.094 4.735 4.640 0.002 0.000 0.236 121 D C 0.336 176.782 176.300 0.243 0.000 1.189 121 D CA 0.378 54.453 54.000 0.125 0.000 0.887 121 D CB 0.473 41.275 40.800 0.003 0.000 1.198 121 D HN 0.437 nan 8.370 nan 0.000 0.444 122 W N -0.592 120.693 121.300 -0.024 0.000 2.961 122 W HA 0.438 5.099 4.660 0.002 0.000 0.368 122 W C -1.336 175.170 176.519 -0.022 0.000 1.213 122 W CA -0.804 56.527 57.345 -0.023 0.000 1.173 122 W CB 0.680 30.122 29.460 -0.031 0.000 1.487 122 W HN 0.158 nan 8.180 nan 0.000 0.585 123 Q N 2.015 121.914 119.800 0.165 0.000 2.340 123 Q HA 0.441 4.782 4.340 0.002 0.000 0.268 123 Q C -0.429 175.639 176.000 0.112 0.000 1.031 123 Q CA -0.364 55.426 55.803 -0.022 0.000 0.804 123 Q CB 2.094 30.844 28.738 0.020 0.000 1.286 123 Q HN 0.493 nan 8.270 nan 0.000 0.448 124 S N 3.002 118.658 115.700 -0.072 0.000 2.565 124 S HA 0.274 4.745 4.470 0.002 0.000 0.276 124 S C 0.131 174.759 174.600 0.047 0.000 1.326 124 S CA -0.342 57.898 58.200 0.067 0.000 1.045 124 S CB 0.880 64.052 63.200 -0.045 0.000 0.918 124 S HN 0.734 nan 8.310 nan 0.000 0.505 125 E N 1.166 121.394 120.200 0.046 0.000 2.399 125 E HA 0.225 4.576 4.350 0.002 0.000 0.205 125 E C -0.306 176.269 176.600 -0.042 0.000 0.906 125 E CA 0.314 56.713 56.400 -0.001 0.000 0.998 125 E CB 0.788 30.483 29.700 -0.008 0.000 1.002 125 E HN 0.504 nan 8.360 nan 0.000 0.501 126 V N 1.974 121.852 119.914 -0.061 0.000 2.760 126 V HA 0.321 4.442 4.120 0.002 0.000 0.309 126 V C -0.759 175.353 176.094 0.031 0.000 1.077 126 V CA -0.694 61.602 62.300 -0.008 0.000 0.910 126 V CB 2.438 34.236 31.823 -0.042 0.000 1.008 126 V HN 0.003 nan 8.190 nan 0.000 0.424 127 E N 4.191 124.435 120.200 0.074 0.000 2.340 127 E HA 0.825 5.176 4.350 0.002 0.000 0.273 127 E C -1.647 175.027 176.600 0.123 0.000 0.891 127 E CA -0.640 55.745 56.400 -0.025 0.000 0.757 127 E CB 3.205 32.874 29.700 -0.051 0.000 1.231 127 E HN 0.584 nan 8.360 nan 0.000 0.439 128 F N -2.261 117.699 119.950 0.016 0.000 2.769 128 F HA 0.528 5.055 4.527 0.001 0.000 0.313 128 F C -1.285 174.532 175.800 0.028 0.000 1.146 128 F CA -0.838 57.174 58.000 0.019 0.000 0.934 128 F CB 1.082 40.098 39.000 0.027 0.000 1.283 128 F HN 0.187 nan 8.300 nan 0.000 0.443 129 T N 3.272 117.982 114.554 0.259 0.000 2.912 129 T HA 0.877 5.228 4.350 0.002 0.000 0.288 129 T C -0.903 173.946 174.700 0.249 0.000 1.030 129 T CA -0.652 61.546 62.100 0.164 0.000 1.020 129 T CB 1.688 70.604 68.868 0.079 0.000 1.056 129 T HN 1.046 nan 8.240 nan 0.000 0.480 130 L N -0.370 120.969 121.223 0.193 0.000 2.653 130 L HA 0.745 5.086 4.340 0.002 0.000 0.257 130 L C -3.373 173.568 176.870 0.118 0.000 0.969 130 L CA -2.701 52.240 54.840 0.169 0.000 0.869 130 L CB 1.699 43.895 42.059 0.228 0.000 1.439 130 L HN 0.315 nan 8.230 nan 0.000 0.414 131 P HA 0.200 nan 4.420 nan 0.000 0.271 131 P C -0.135 177.211 177.300 0.077 0.000 1.218 131 P CA -0.141 63.001 63.100 0.070 0.000 0.780 131 P CB 0.749 32.482 31.700 0.054 0.000 0.901 132 Q N 1.888 121.728 119.800 0.067 0.000 2.135 132 Q HA -0.223 4.118 4.340 0.002 0.000 0.204 132 Q C 2.001 178.038 176.000 0.061 0.000 0.981 132 Q CA 1.987 57.830 55.803 0.066 0.000 0.856 132 Q CB -0.570 28.201 28.738 0.054 0.000 0.902 132 Q HN 0.573 nan 8.270 nan 0.000 0.425 133 A N 0.475 123.326 122.820 0.051 0.000 1.940 133 A HA -0.195 4.126 4.320 0.002 0.000 0.219 133 A C 2.215 179.828 177.584 0.049 0.000 1.176 133 A CA 1.892 53.956 52.037 0.044 0.000 0.631 133 A CB -0.780 18.242 19.000 0.036 0.000 0.814 133 A HN 0.322 nan 8.150 nan 0.000 0.446 134 T N -0.539 114.048 114.554 0.056 0.000 2.737 134 T HA -0.155 4.196 4.350 0.002 0.000 0.265 134 T C 1.934 176.677 174.700 0.072 0.000 1.038 134 T CA 1.860 63.993 62.100 0.056 0.000 1.144 134 T CB -0.270 68.634 68.868 0.061 0.000 0.866 134 T HN 0.449 nan 8.240 nan 0.000 0.434 135 M N 1.530 121.191 119.600 0.103 0.000 2.159 135 M HA 0.021 4.502 4.480 0.002 0.000 0.263 135 M C 2.023 178.387 176.300 0.106 0.000 1.063 135 M CA 1.624 57.007 55.300 0.139 0.000 1.110 135 M CB -0.379 32.315 32.600 0.157 0.000 1.374 135 M HN 0.049 nan 8.290 nan 0.000 0.411 136 K N -0.670 119.775 120.400 0.076 0.000 2.026 136 K HA -0.240 4.081 4.320 0.002 0.000 0.208 136 K C 2.221 178.852 176.600 0.052 0.000 1.048 136 K CA 1.747 58.069 56.287 0.058 0.000 0.929 136 K CB -0.207 32.319 32.500 0.044 0.000 0.713 136 K HN 0.293 nan 8.250 nan 0.000 0.439 137 R N 1.098 121.626 120.500 0.046 0.000 2.083 137 R HA -0.100 4.241 4.340 0.002 0.000 0.237 137 R C 2.149 178.465 176.300 0.027 0.000 1.137 137 R CA 1.665 57.788 56.100 0.038 0.000 0.951 137 R CB -0.721 29.597 30.300 0.030 0.000 0.851 137 R HN 0.267 nan 8.270 nan 0.000 0.434 138 L N -0.129 121.101 121.223 0.011 0.000 2.042 138 L HA -0.182 4.159 4.340 0.002 0.000 0.210 138 L C 2.456 179.287 176.870 -0.065 0.000 1.076 138 L CA 1.541 56.354 54.840 -0.045 0.000 0.749 138 L CB -0.402 41.625 42.059 -0.052 0.000 0.893 138 L HN 0.267 nan 8.230 nan 0.000 0.432 139 I N -0.792 119.778 120.570 -0.001 0.000 2.277 139 I HA -0.208 3.963 4.170 0.002 0.000 0.243 139 I C 2.441 178.580 176.117 0.037 0.000 1.094 139 I CA 0.999 62.305 61.300 0.010 0.000 1.393 139 I CB -0.254 37.795 38.000 0.083 0.000 1.078 139 I HN 0.217 nan 8.210 nan 0.000 0.417 140 E N 1.096 121.335 120.200 0.065 0.000 2.085 140 E HA -0.245 4.106 4.350 0.002 0.000 0.194 140 E C 2.234 178.939 176.600 0.174 0.000 0.994 140 E CA 1.388 57.851 56.400 0.106 0.000 0.801 140 E CB -0.174 29.576 29.700 0.083 0.000 0.743 140 E HN 0.502 nan 8.360 nan 0.000 0.453 141 A N 0.504 123.411 122.820 0.144 0.000 2.121 141 A HA -0.129 4.192 4.320 0.002 0.000 0.218 141 A C 2.104 179.844 177.584 0.261 0.000 1.154 141 A CA 1.896 54.076 52.037 0.239 0.000 0.679 141 A CB -0.305 18.777 19.000 0.136 0.000 0.795 141 A HN 0.401 nan 8.150 nan 0.000 0.458 142 T N -5.473 109.109 114.554 0.047 0.000 2.993 142 T HA 0.108 4.459 4.350 0.002 0.000 0.260 142 T C 1.619 176.137 174.700 -0.304 0.000 0.939 142 T CA 0.595 62.580 62.100 -0.193 0.000 0.886 142 T CB -0.296 68.439 68.868 -0.222 0.000 1.209 142 T HN 0.316 nan 8.240 nan 0.000 0.518 143 Q N 0.993 120.738 119.800 -0.091 0.000 2.096 143 Q HA -0.187 4.154 4.340 0.002 0.000 0.208 143 Q C 1.926 177.892 176.000 -0.057 0.000 0.993 143 Q CA 2.493 58.269 55.803 -0.044 0.000 0.862 143 Q CB -0.538 28.235 28.738 0.059 0.000 0.915 143 Q HN 0.820 nan 8.270 nan 0.000 0.416 144 F N -0.998 118.975 119.950 0.038 0.000 2.307 144 F HA -0.042 4.486 4.527 0.000 0.000 0.301 144 F C 1.764 177.591 175.800 0.045 0.000 1.076 144 F CA 1.105 59.137 58.000 0.053 0.000 1.383 144 F CB -0.472 38.556 39.000 0.048 0.000 1.055 144 F HN -0.122 nan 8.300 nan 0.000 0.526 145 S N 0.318 115.600 115.700 -0.697 0.000 2.593 145 S HA 0.214 4.685 4.470 0.002 0.000 0.217 145 S C 0.862 175.330 174.600 -0.221 0.000 0.966 145 S CA -0.216 57.717 58.200 -0.446 0.000 0.914 145 S CB -0.352 62.500 63.200 -0.579 0.000 0.776 145 S HN 0.256 nan 8.310 nan 0.000 0.523 146 M N 1.933 121.415 119.600 -0.197 0.000 2.245 146 M HA 0.215 4.696 4.480 0.002 0.000 0.344 146 M C 0.546 176.711 176.300 -0.224 0.000 1.170 146 M CA -0.282 54.924 55.300 -0.157 0.000 1.135 146 M CB 0.323 32.832 32.600 -0.151 0.000 1.574 146 M HN 0.168 nan 8.290 nan 0.000 0.452 147 A N 2.810 125.535 122.820 -0.159 0.000 2.366 147 A HA 0.220 4.541 4.320 0.002 0.000 0.249 147 A C -0.509 176.944 177.584 -0.218 0.000 1.084 147 A CA -0.259 51.700 52.037 -0.131 0.000 0.794 147 A CB 0.232 19.171 19.000 -0.101 0.000 1.034 147 A HN 0.794 nan 8.150 nan 0.000 0.491 148 H N 1.368 120.455 119.070 0.028 0.000 2.638 148 H HA 0.213 4.771 4.556 0.003 0.000 0.317 148 H C -0.008 175.334 175.328 0.023 0.000 1.006 148 H CA 0.634 56.702 56.048 0.033 0.000 1.222 148 H CB 1.034 30.822 29.762 0.044 0.000 1.419 148 H HN 0.939 nan 8.280 nan 0.000 0.489 149 Q N 0.915 120.785 119.800 0.116 0.000 2.395 149 Q HA -0.254 4.087 4.340 0.002 0.000 0.326 149 Q C -0.853 175.178 176.000 0.052 0.000 1.302 149 Q CA 0.785 56.633 55.803 0.076 0.000 0.949 149 Q CB -1.193 27.593 28.738 0.079 0.000 1.204 149 Q HN 0.445 nan 8.270 nan 0.000 0.444 150 D N 0.190 120.602 120.400 0.019 0.000 2.304 150 D HA 0.212 4.853 4.640 0.002 0.000 0.247 150 D C 1.522 177.800 176.300 -0.035 0.000 1.089 150 D CA -0.007 53.983 54.000 -0.016 0.000 0.910 150 D CB 1.636 42.394 40.800 -0.071 0.000 1.199 150 D HN 0.239 nan 8.370 nan 0.000 0.426 151 V N 2.048 121.944 119.914 -0.029 0.000 2.469 151 V HA -0.132 3.989 4.120 0.002 0.000 0.251 151 V C 0.992 177.058 176.094 -0.046 0.000 1.064 151 V CA 1.146 63.442 62.300 -0.007 0.000 1.066 151 V CB -0.791 31.035 31.823 0.005 0.000 0.667 151 V HN 0.372 nan 8.190 nan 0.000 0.461 152 R N 1.266 121.631 120.500 -0.224 0.000 2.609 152 R HA 0.261 4.602 4.340 0.002 0.000 0.271 152 R C 1.160 177.058 176.300 -0.670 0.000 1.403 152 R CA 0.206 55.948 56.100 -0.597 0.000 1.138 152 R CB -0.820 28.924 30.300 -0.928 0.000 1.142 152 R HN 0.761 nan 8.270 nan 0.000 0.559 153 Y N 0.698 120.845 120.300 -0.255 0.000 2.173 153 Y HA -0.388 4.163 4.550 0.001 0.000 0.282 153 Y C 1.426 177.282 175.900 -0.073 0.000 1.192 153 Y CA 1.079 59.114 58.100 -0.109 0.000 1.176 153 Y CB -0.884 37.579 38.460 0.005 0.000 0.969 153 Y HN 0.603 nan 8.280 nan 0.000 0.519 154 Y N -0.524 119.431 120.300 -0.576 0.000 2.680 154 Y HA 0.162 4.713 4.550 0.003 0.000 0.303 154 Y C 1.359 177.224 175.900 -0.059 0.000 1.166 154 Y CA 0.172 58.112 58.100 -0.267 0.000 1.344 154 Y CB -0.898 37.301 38.460 -0.434 0.000 1.002 154 Y HN 0.247 nan 8.280 nan 0.000 0.537 155 L N 0.208 121.221 121.223 -0.349 0.000 2.556 155 L HA 0.143 4.484 4.340 0.002 0.000 0.226 155 L C 0.230 177.088 176.870 -0.020 0.000 1.089 155 L CA 0.114 54.831 54.840 -0.204 0.000 0.864 155 L CB -0.186 41.633 42.059 -0.401 0.000 1.067 155 L HN 0.177 nan 8.230 nan 0.000 0.477 156 N N 1.264 119.955 118.700 -0.014 0.000 3.243 156 N HA 0.274 5.015 4.740 0.002 0.000 0.310 156 N C 0.247 175.798 175.510 0.069 0.000 1.313 156 N CA -0.116 52.942 53.050 0.014 0.000 1.204 156 N CB 0.272 38.774 38.487 0.025 0.000 1.483 156 N HN 0.283 nan 8.380 nan 0.000 0.553 157 G N 0.096 108.962 108.800 0.109 0.000 2.428 157 G HA2 0.392 4.353 3.960 0.002 0.000 0.304 157 G HA3 0.392 4.353 3.960 0.002 0.000 0.304 157 G C -1.866 173.084 174.900 0.083 0.000 1.303 157 G CA -0.751 44.412 45.100 0.106 0.000 0.825 157 G HN 0.170 nan 8.290 nan 0.000 0.484 158 M N 0.763 120.368 119.600 0.010 0.000 2.326 158 M HA 0.660 5.141 4.480 0.002 0.000 0.306 158 M C -1.439 174.703 176.300 -0.264 0.000 1.054 158 M CA -0.952 54.267 55.300 -0.135 0.000 0.922 158 M CB 1.961 34.545 32.600 -0.026 0.000 1.632 158 M HN 0.592 nan 8.290 nan 0.000 0.436 159 L N 4.864 125.652 121.223 -0.725 0.000 2.331 159 L HA 0.480 4.821 4.340 0.002 0.000 0.278 159 L C -1.869 174.794 176.870 -0.346 0.000 1.106 159 L CA 0.661 55.123 54.840 -0.630 0.000 0.824 159 L CB 0.431 41.911 42.059 -0.964 0.000 1.142 159 L HN 0.593 nan 8.230 nan 0.000 0.443 160 F N 4.257 124.103 119.950 -0.174 0.000 2.403 160 F HA 0.445 4.972 4.527 -0.000 0.000 0.355 160 F C 0.081 175.867 175.800 -0.024 0.000 1.119 160 F CA -0.485 57.476 58.000 -0.064 0.000 1.007 160 F CB 1.318 40.328 39.000 0.017 0.000 1.194 160 F HN 0.517 nan 8.300 nan 0.000 0.443 161 E N 2.344 122.574 120.200 0.050 0.000 2.222 161 E HA 0.506 4.857 4.350 0.002 0.000 0.267 161 E C -1.133 175.485 176.600 0.030 0.000 0.884 161 E CA -0.739 55.693 56.400 0.054 0.000 0.764 161 E CB 1.604 31.311 29.700 0.011 0.000 1.169 161 E HN 0.565 nan 8.360 nan 0.000 0.413 162 T N 1.434 116.022 114.554 0.057 0.000 2.829 162 T HA 0.512 4.863 4.350 0.002 0.000 0.282 162 T C -0.295 174.408 174.700 0.004 0.000 0.990 162 T CA -0.823 61.264 62.100 -0.021 0.000 1.028 162 T CB 1.393 70.249 68.868 -0.021 0.000 0.951 162 T HN 0.549 nan 8.240 nan 0.000 0.460 163 E N 1.631 121.815 120.200 -0.027 0.000 2.349 163 E HA 0.467 4.818 4.350 0.002 0.000 0.290 163 E C 0.560 177.149 176.600 -0.019 0.000 0.901 163 E CA -0.035 56.363 56.400 -0.003 0.000 0.800 163 E CB 0.640 30.351 29.700 0.017 0.000 1.303 163 E HN 1.163 nan 8.360 nan 0.000 0.397 164 G N 4.353 113.145 108.800 -0.012 0.000 2.543 164 G HA2 -0.353 3.608 3.960 0.002 0.000 0.286 164 G HA3 -0.353 3.608 3.960 0.002 0.000 0.286 164 G C 0.404 175.283 174.900 -0.034 0.000 1.153 164 G CA 0.469 45.559 45.100 -0.016 0.000 0.968 164 G HN 0.601 nan 8.290 nan 0.000 0.544 165 E N 1.590 121.766 120.200 -0.039 0.000 2.558 165 E HA 0.273 4.624 4.350 0.002 0.000 0.205 165 E C 0.164 176.717 176.600 -0.079 0.000 1.006 165 E CA -0.003 56.365 56.400 -0.054 0.000 0.961 165 E CB 0.535 30.215 29.700 -0.033 0.000 1.044 165 E HN 0.529 nan 8.360 nan 0.000 0.465 166 E N 1.066 121.215 120.200 -0.086 0.000 2.207 166 E HA 0.379 4.730 4.350 0.002 0.000 0.270 166 E C -1.237 175.276 176.600 -0.145 0.000 0.927 166 E CA -1.017 55.322 56.400 -0.101 0.000 0.799 166 E CB 2.320 31.977 29.700 -0.071 0.000 1.172 166 E HN -0.085 nan 8.360 nan 0.000 0.404 167 L N 2.536 123.665 121.223 -0.155 0.000 2.322 167 L HA 0.469 4.810 4.340 0.002 0.000 0.281 167 L C -0.847 175.947 176.870 -0.126 0.000 1.014 167 L CA -0.234 54.510 54.840 -0.160 0.000 0.815 167 L CB 1.228 43.189 42.059 -0.163 0.000 1.247 167 L HN 0.496 nan 8.230 nan 0.000 0.421 168 R N 2.138 122.556 120.500 -0.138 0.000 2.744 168 R HA 0.815 5.156 4.340 0.002 0.000 0.279 168 R C -1.324 174.788 176.300 -0.313 0.000 0.977 168 R CA -0.290 55.681 56.100 -0.214 0.000 0.906 168 R CB 1.809 31.978 30.300 -0.219 0.000 1.197 168 R HN 0.796 nan 8.270 nan 0.000 0.463 169 T N -0.127 114.183 114.554 -0.408 0.000 2.841 169 T HA 0.637 4.988 4.350 0.002 0.000 0.283 169 T C -0.690 173.757 174.700 -0.422 0.000 1.000 169 T CA -0.706 61.055 62.100 -0.565 0.000 0.977 169 T CB 1.760 70.218 68.868 -0.684 0.000 0.979 169 T HN 0.208 nan 8.240 nan 0.000 0.446 170 V N 1.256 120.937 119.914 -0.388 0.000 2.709 170 V HA 0.902 5.023 4.120 0.002 0.000 0.308 170 V C -0.217 175.814 176.094 -0.105 0.000 1.062 170 V CA -0.971 61.204 62.300 -0.209 0.000 0.901 170 V CB 1.579 33.381 31.823 -0.034 0.000 1.003 170 V HN 1.393 nan 8.190 nan 0.000 0.425 171 A N 2.462 125.278 122.820 -0.006 0.000 2.455 171 A HA 0.945 5.266 4.320 0.002 0.000 0.300 171 A C -0.596 177.003 177.584 0.025 0.000 1.040 171 A CA -0.531 51.545 52.037 0.065 0.000 0.697 171 A CB 2.275 21.197 19.000 -0.130 0.000 1.265 171 A HN 0.917 nan 8.150 nan 0.000 0.407 172 T N 0.156 114.732 114.554 0.038 0.000 2.957 172 T HA 0.487 4.838 4.350 0.002 0.000 0.336 172 T C -1.396 173.214 174.700 -0.151 0.000 1.462 172 T CA 0.166 62.203 62.100 -0.105 0.000 1.073 172 T CB 1.408 70.192 68.868 -0.141 0.000 1.319 172 T HN 0.828 nan 8.240 nan 0.000 0.485 173 D N 1.094 121.399 120.400 -0.159 0.000 2.479 173 D HA 0.369 5.010 4.640 0.002 0.000 0.218 173 D C 1.470 177.625 176.300 -0.240 0.000 1.177 173 D CA 0.693 54.605 54.000 -0.147 0.000 0.830 173 D CB 0.113 40.891 40.800 -0.036 0.000 1.014 173 D HN 1.132 nan 8.370 nan 0.000 0.503 174 G N 0.620 109.252 108.800 -0.280 0.000 2.317 174 G HA2 -0.338 3.623 3.960 0.002 0.000 0.227 174 G HA3 -0.338 3.623 3.960 0.002 0.000 0.227 174 G C 1.118 175.778 174.900 -0.400 0.000 1.042 174 G CA 0.276 45.153 45.100 -0.371 0.000 0.623 174 G HN 0.438 nan 8.290 nan 0.000 0.509 175 H N 0.901 119.910 119.070 -0.102 0.000 2.451 175 H HA 0.174 4.731 4.556 0.001 0.000 0.294 175 H C 1.659 176.872 175.328 -0.191 0.000 1.028 175 H CA 1.451 57.440 56.048 -0.097 0.000 1.349 175 H CB 0.375 30.104 29.762 -0.055 0.000 1.444 175 H HN 0.691 nan 8.280 nan 0.000 0.538 176 R N 0.688 121.066 120.500 -0.204 0.000 2.808 176 R HA 0.556 4.897 4.340 0.002 0.000 0.272 176 R C -1.426 174.801 176.300 -0.121 0.000 0.995 176 R CA -0.840 55.154 56.100 -0.176 0.000 0.917 176 R CB 1.923 32.033 30.300 -0.318 0.000 1.217 176 R HN 0.167 nan 8.270 nan 0.000 0.471 177 L N 0.278 121.471 121.223 -0.050 0.000 2.424 177 L HA 0.873 5.214 4.340 0.002 0.000 0.258 177 L C -1.565 175.281 176.870 -0.040 0.000 0.995 177 L CA -0.618 54.188 54.840 -0.058 0.000 0.821 177 L CB 2.374 44.413 42.059 -0.033 0.000 1.383 177 L HN 1.029 nan 8.230 nan 0.000 0.410 178 A N 3.206 125.947 122.820 -0.131 0.000 2.414 178 A HA 0.811 5.132 4.320 0.002 0.000 0.306 178 A C -1.768 175.634 177.584 -0.303 0.000 1.054 178 A CA -0.491 51.405 52.037 -0.234 0.000 0.724 178 A CB 2.074 20.949 19.000 -0.208 0.000 1.267 178 A HN 0.845 nan 8.150 nan 0.000 0.418 179 V N 1.257 120.902 119.914 -0.448 0.000 2.851 179 V HA 0.711 4.832 4.120 0.002 0.000 0.307 179 V C -1.366 174.462 176.094 -0.443 0.000 1.129 179 V CA -0.331 61.704 62.300 -0.442 0.000 0.932 179 V CB 1.431 32.923 31.823 -0.551 0.000 1.024 179 V HN 1.689 nan 8.190 nan 0.000 0.426 180 C N 4.860 123.938 119.300 -0.370 0.000 2.686 180 C HA 0.883 5.344 4.460 0.002 0.000 0.318 180 C C -0.240 174.602 174.990 -0.247 0.000 1.160 180 C CA -0.004 58.853 59.018 -0.268 0.000 1.396 180 C CB 1.314 28.945 27.740 -0.182 0.000 1.924 180 C HN 1.042 nan 8.230 nan 0.000 0.471 181 S N 5.638 121.225 115.700 -0.188 0.000 2.526 181 S HA 0.860 5.331 4.470 0.002 0.000 0.293 181 S C -0.982 173.561 174.600 -0.095 0.000 1.092 181 S CA -0.557 57.553 58.200 -0.150 0.000 0.980 181 S CB 1.543 64.660 63.200 -0.138 0.000 1.048 181 S HN 0.754 nan 8.310 nan 0.000 0.483 182 M N 4.125 123.676 119.600 -0.081 0.000 2.324 182 M HA 0.405 4.886 4.480 0.002 0.000 0.288 182 M C -2.946 173.322 176.300 -0.054 0.000 1.097 182 M CA -2.299 52.970 55.300 -0.052 0.000 0.928 182 M CB 2.048 34.628 32.600 -0.033 0.000 1.648 182 M HN 0.296 nan 8.290 nan 0.000 0.460 183 P HA 0.347 nan 4.420 nan 0.000 0.280 183 P C 0.023 177.302 177.300 -0.034 0.000 1.244 183 P CA -0.262 62.813 63.100 -0.042 0.000 0.784 183 P CB 0.633 32.317 31.700 -0.027 0.000 0.913 184 I N -1.217 119.322 120.570 -0.051 0.000 3.877 184 I HA 0.406 4.577 4.170 0.002 0.000 0.332 184 I C 0.956 177.067 176.117 -0.010 0.000 1.525 184 I CA -0.546 60.738 61.300 -0.027 0.000 1.146 184 I CB -0.525 37.442 38.000 -0.055 0.000 1.137 184 I HN 0.482 nan 8.210 nan 0.000 0.424 185 G N 2.060 110.852 108.800 -0.014 0.000 2.390 185 G HA2 -0.263 3.698 3.960 0.002 0.000 0.299 185 G HA3 -0.263 3.698 3.960 0.002 0.000 0.299 185 G C -0.148 174.753 174.900 0.001 0.000 1.002 185 G CA 0.408 45.506 45.100 -0.003 0.000 0.979 185 G HN 0.728 nan 8.290 nan 0.000 0.513 186 Q N -0.722 119.071 119.800 -0.012 0.000 2.281 186 Q HA 0.423 4.764 4.340 0.002 0.000 0.263 186 Q C -0.515 175.475 176.000 -0.015 0.000 0.989 186 Q CA -0.625 55.177 55.803 -0.001 0.000 0.852 186 Q CB 1.954 30.704 28.738 0.021 0.000 1.337 186 Q HN 0.269 nan 8.270 nan 0.000 0.418 187 S N 3.437 119.136 115.700 -0.002 0.000 2.481 187 S HA 0.322 4.793 4.470 0.002 0.000 0.282 187 S C -0.338 174.263 174.600 0.002 0.000 1.243 187 S CA -0.095 58.104 58.200 -0.003 0.000 1.078 187 S CB -0.191 63.012 63.200 0.005 0.000 0.916 187 S HN 0.390 nan 8.310 nan 0.000 0.495 188 L N 6.912 128.128 121.223 -0.011 0.000 2.333 188 L HA 0.640 4.981 4.340 0.002 0.000 0.269 188 L C -1.890 174.993 176.870 0.022 0.000 1.010 188 L CA -2.334 52.506 54.840 -0.000 0.000 0.818 188 L CB 1.612 43.635 42.059 -0.060 0.000 1.306 188 L HN 0.473 nan 8.230 nan 0.000 0.430 189 P HA 0.150 nan 4.420 nan 0.000 0.277 189 P C -0.885 176.468 177.300 0.089 0.000 1.240 189 P CA -0.469 62.671 63.100 0.066 0.000 0.798 189 P CB 1.086 32.834 31.700 0.081 0.000 0.979 190 S N 1.108 116.859 115.700 0.085 0.000 2.488 190 S HA 0.216 4.687 4.470 0.002 0.000 0.278 190 S C -0.087 174.603 174.600 0.149 0.000 1.259 190 S CA 0.243 58.495 58.200 0.087 0.000 1.061 190 S CB -0.622 62.608 63.200 0.049 0.000 0.910 190 S HN 0.589 nan 8.310 nan 0.000 0.491 191 H N 0.815 119.909 119.070 0.040 0.000 2.996 191 H HA 0.566 5.123 4.556 0.001 0.000 0.368 191 H C -1.216 174.146 175.328 0.057 0.000 1.185 191 H CA -0.284 55.797 56.048 0.055 0.000 1.160 191 H CB 1.514 31.323 29.762 0.079 0.000 1.820 191 H HN 0.544 nan 8.280 nan 0.000 0.547 192 S N 2.351 117.964 115.700 -0.146 0.000 2.575 192 S HA 0.591 5.062 4.470 0.002 0.000 0.278 192 S C -1.329 173.256 174.600 -0.025 0.000 1.139 192 S CA -0.457 57.731 58.200 -0.019 0.000 0.954 192 S CB 1.267 64.448 63.200 -0.033 0.000 1.054 192 S HN 0.671 nan 8.310 nan 0.000 0.483 193 V N 0.479 120.437 119.914 0.073 0.000 3.114 193 V HA 0.718 4.839 4.120 0.002 0.000 0.308 193 V C -1.275 174.839 176.094 0.034 0.000 1.168 193 V CA -1.044 61.294 62.300 0.063 0.000 1.015 193 V CB 1.597 33.489 31.823 0.115 0.000 1.050 193 V HN 0.808 nan 8.190 nan 0.000 0.433 194 I N 2.469 123.051 120.570 0.020 0.000 2.321 194 I HA 0.533 4.705 4.170 0.002 0.000 0.291 194 I C -0.433 175.708 176.117 0.041 0.000 0.998 194 I CA -0.891 60.410 61.300 0.001 0.000 1.227 194 I CB 1.797 39.839 38.000 0.069 0.000 1.368 194 I HN 0.444 nan 8.210 nan 0.000 0.466 195 V N 8.738 128.698 119.914 0.076 0.000 2.407 195 V HA 0.290 4.411 4.120 0.002 0.000 0.278 195 V C -1.865 174.276 176.094 0.078 0.000 1.037 195 V CA -1.765 60.563 62.300 0.048 0.000 0.900 195 V CB 1.239 33.065 31.823 0.004 0.000 0.983 195 V HN 0.593 nan 8.190 nan 0.000 0.459 196 P HA 0.013 nan 4.420 nan 0.000 0.266 196 P C 0.728 178.073 177.300 0.075 0.000 1.193 196 P CA -0.138 63.004 63.100 0.071 0.000 0.770 196 P CB 0.563 32.297 31.700 0.055 0.000 0.836 197 R N 3.038 123.575 120.500 0.062 0.000 2.119 197 R HA -0.219 4.122 4.340 0.002 0.000 0.246 197 R C 1.960 178.290 176.300 0.050 0.000 1.146 197 R CA 1.729 57.857 56.100 0.046 0.000 0.962 197 R CB -0.843 29.467 30.300 0.017 0.000 0.863 197 R HN 0.334 nan 8.270 nan 0.000 0.442 198 K N 0.637 121.070 120.400 0.055 0.000 2.148 198 K HA -0.062 4.259 4.320 0.002 0.000 0.204 198 K C 2.166 178.801 176.600 0.059 0.000 1.050 198 K CA 1.427 57.744 56.287 0.050 0.000 0.942 198 K CB -0.282 32.251 32.500 0.055 0.000 0.724 198 K HN 0.397 nan 8.250 nan 0.000 0.446 199 G N 0.184 109.052 108.800 0.113 0.000 2.394 199 G HA2 -0.164 3.798 3.960 0.002 0.000 0.215 199 G HA3 -0.164 3.798 3.960 0.002 0.000 0.215 199 G C 1.420 176.365 174.900 0.074 0.000 1.165 199 G CA 0.649 45.881 45.100 0.221 0.000 0.784 199 G HN 0.174 nan 8.290 nan 0.000 0.535 200 V N 1.180 121.138 119.914 0.073 0.000 2.407 200 V HA -0.140 3.981 4.120 0.002 0.000 0.248 200 V C 2.753 178.843 176.094 -0.007 0.000 1.055 200 V CA 1.325 63.672 62.300 0.078 0.000 1.049 200 V CB -0.346 31.557 31.823 0.133 0.000 0.662 200 V HN 0.384 nan 8.190 nan 0.000 0.455 201 I N -0.450 120.105 120.570 -0.026 0.000 2.179 201 I HA -0.179 3.992 4.170 0.002 0.000 0.242 201 I C 2.702 178.724 176.117 -0.158 0.000 1.088 201 I CA 1.323 62.589 61.300 -0.057 0.000 1.357 201 I CB -0.381 37.602 38.000 -0.028 0.000 1.051 201 I HN 0.300 nan 8.210 nan 0.000 0.409 202 E N 0.490 120.530 120.200 -0.267 0.000 2.077 202 E HA -0.227 4.124 4.350 0.002 0.000 0.193 202 E C 2.112 178.327 176.600 -0.642 0.000 0.989 202 E CA 1.096 57.192 56.400 -0.508 0.000 0.800 202 E CB -0.473 28.762 29.700 -0.775 0.000 0.746 202 E HN 0.279 nan 8.360 nan 0.000 0.452 203 L N 0.654 121.499 121.223 -0.631 0.000 2.012 203 L HA -0.190 4.151 4.340 0.002 0.000 0.210 203 L C 2.385 179.135 176.870 -0.199 0.000 1.073 203 L CA 1.735 56.336 54.840 -0.399 0.000 0.748 203 L CB -0.635 41.332 42.059 -0.153 0.000 0.891 203 L HN 0.118 nan 8.230 nan 0.000 0.431 204 M N -0.586 118.936 119.600 -0.129 0.000 2.117 204 M HA -0.165 4.316 4.480 0.002 0.000 0.262 204 M C 2.315 178.556 176.300 -0.098 0.000 1.065 204 M CA 1.665 56.926 55.300 -0.065 0.000 1.114 204 M CB -0.389 32.195 32.600 -0.026 0.000 1.361 204 M HN 0.154 nan 8.290 nan 0.000 0.408 205 R N -0.422 119.986 120.500 -0.153 0.000 2.235 205 R HA -0.041 4.300 4.340 0.002 0.000 0.213 205 R C 1.965 178.146 176.300 -0.198 0.000 1.059 205 R CA 1.438 57.441 56.100 -0.161 0.000 0.997 205 R CB -0.565 29.626 30.300 -0.181 0.000 0.884 205 R HN 0.600 nan 8.270 nan 0.000 0.462 206 M N -0.729 118.735 119.600 -0.227 0.000 2.561 206 M HA 0.140 4.621 4.480 0.002 0.000 0.238 206 M C -0.549 175.681 176.300 -0.116 0.000 1.131 206 M CA 0.558 55.717 55.300 -0.236 0.000 1.046 206 M CB 0.441 32.892 32.600 -0.247 0.000 1.532 206 M HN -0.166 nan 8.290 nan 0.000 0.497 207 L N 3.502 124.680 121.223 -0.074 0.000 2.283 207 L HA 0.185 4.526 4.340 0.002 0.000 0.287 207 L C 0.279 177.141 176.870 -0.013 0.000 1.073 207 L CA 0.344 55.173 54.840 -0.018 0.000 0.822 207 L CB 0.799 42.857 42.059 -0.001 0.000 1.186 207 L HN 0.349 nan 8.230 nan 0.000 0.436 208 D N 0.541 120.948 120.400 0.011 0.000 2.325 208 D HA 0.137 4.778 4.640 0.002 0.000 0.225 208 D C 1.253 177.567 176.300 0.023 0.000 1.096 208 D CA 0.337 54.348 54.000 0.018 0.000 0.844 208 D CB 0.093 40.920 40.800 0.044 0.000 0.925 208 D HN 0.623 nan 8.370 nan 0.000 0.513 209 G N -0.787 108.027 108.800 0.023 0.000 2.225 209 G HA2 -0.164 3.797 3.960 0.002 0.000 0.267 209 G HA3 -0.164 3.797 3.960 0.002 0.000 0.267 209 G C 0.608 175.525 174.900 0.028 0.000 1.024 209 G CA 0.150 45.265 45.100 0.025 0.000 0.784 209 G HN 0.799 nan 8.290 nan 0.000 0.507 210 G N -1.321 107.500 108.800 0.034 0.000 2.583 210 G HA2 0.528 4.489 3.960 0.002 0.000 0.280 210 G HA3 0.528 4.489 3.960 0.002 0.000 0.280 210 G C 0.389 175.309 174.900 0.033 0.000 1.376 210 G CA 0.377 45.497 45.100 0.033 0.000 1.043 210 G HN 0.048 nan 8.290 nan 0.000 0.538 211 D N -0.413 120.005 120.400 0.030 0.000 2.354 211 D HA 0.031 4.672 4.640 0.002 0.000 0.209 211 D C 0.485 176.804 176.300 0.031 0.000 1.015 211 D CA -0.036 53.981 54.000 0.028 0.000 0.867 211 D CB 0.015 40.829 40.800 0.022 0.000 0.933 211 D HN 0.144 nan 8.370 nan 0.000 0.520 212 N N 2.706 121.426 118.700 0.034 0.000 2.411 212 N HA 0.029 4.770 4.740 0.002 0.000 0.261 212 N C -2.348 173.189 175.510 0.044 0.000 1.248 212 N CA -0.339 52.732 53.050 0.035 0.000 0.885 212 N CB 0.685 39.197 38.487 0.041 0.000 1.062 212 N HN 0.039 nan 8.380 nan 0.000 0.471 213 P HA 0.091 nan 4.420 nan 0.000 0.273 213 P C -0.310 177.026 177.300 0.060 0.000 1.250 213 P CA -0.445 62.685 63.100 0.050 0.000 0.793 213 P CB 0.630 32.354 31.700 0.040 0.000 1.011 214 L N 1.425 122.691 121.223 0.072 0.000 2.313 214 L HA 0.580 4.921 4.340 0.002 0.000 0.283 214 L C -0.305 176.597 176.870 0.054 0.000 1.013 214 L CA -0.701 54.186 54.840 0.078 0.000 0.816 214 L CB 1.195 43.309 42.059 0.092 0.000 1.236 214 L HN 0.155 nan 8.230 nan 0.000 0.419 215 R N 4.090 124.620 120.500 0.050 0.000 2.295 215 R HA 0.737 5.078 4.340 0.002 0.000 0.324 215 R C -1.822 174.475 176.300 -0.004 0.000 0.968 215 R CA -0.413 55.677 56.100 -0.017 0.000 0.837 215 R CB 1.213 31.464 30.300 -0.081 0.000 1.133 215 R HN 0.545 nan 8.270 nan 0.000 0.450 216 V N 5.037 124.785 119.914 -0.276 0.000 2.555 216 V HA 0.444 4.565 4.120 0.002 0.000 0.302 216 V C -0.443 175.398 176.094 -0.422 0.000 1.038 216 V CA -0.699 61.358 62.300 -0.405 0.000 0.887 216 V CB 1.817 33.156 31.823 -0.806 0.000 0.991 216 V HN 0.776 nan 8.190 nan 0.000 0.434 217 Q N 4.003 123.715 119.800 -0.147 0.000 2.323 217 Q HA 0.668 5.009 4.340 0.002 0.000 0.271 217 Q C -1.403 174.650 176.000 0.089 0.000 1.048 217 Q CA -0.452 55.334 55.803 -0.028 0.000 0.792 217 Q CB 3.070 31.848 28.738 0.067 0.000 1.280 217 Q HN 0.644 nan 8.270 nan 0.000 0.441 218 I N 1.562 122.176 120.570 0.072 0.000 2.436 218 I HA 0.547 4.718 4.170 0.002 0.000 0.289 218 I C 0.280 176.474 176.117 0.128 0.000 1.010 218 I CA -0.635 60.704 61.300 0.065 0.000 1.098 218 I CB 1.847 39.840 38.000 -0.012 0.000 1.266 218 I HN 0.659 nan 8.210 nan 0.000 0.434 219 G N 2.222 111.119 108.800 0.161 0.000 2.705 219 G HA2 0.338 4.299 3.960 0.002 0.000 0.299 219 G HA3 0.338 4.299 3.960 0.002 0.000 0.299 219 G C 0.855 175.801 174.900 0.078 0.000 1.315 219 G CA -0.004 45.224 45.100 0.214 0.000 1.045 219 G HN 0.624 nan 8.290 nan 0.000 0.517 220 S N -1.407 114.356 115.700 0.105 0.000 2.399 220 S HA -0.110 4.361 4.470 0.002 0.000 0.231 220 S C 1.210 175.813 174.600 0.006 0.000 1.022 220 S CA 1.519 59.774 58.200 0.092 0.000 0.983 220 S CB -0.191 63.060 63.200 0.084 0.000 0.803 220 S HN 0.597 nan 8.310 nan 0.000 0.480 221 N N 0.676 119.316 118.700 -0.099 0.000 2.194 221 N HA 0.324 5.065 4.740 0.002 0.000 0.231 221 N C -1.240 174.047 175.510 -0.372 0.000 1.247 221 N CA -0.248 52.697 53.050 -0.176 0.000 0.884 221 N CB 0.463 38.867 38.487 -0.139 0.000 1.146 221 N HN 0.370 nan 8.380 nan 0.000 0.516 222 N N 0.413 118.774 118.700 -0.565 0.000 2.708 222 N HA 0.507 5.248 4.740 0.002 0.000 0.257 222 N C -1.809 173.276 175.510 -0.708 0.000 1.373 222 N CA -0.576 51.943 53.050 -0.885 0.000 0.843 222 N CB 2.389 39.741 38.487 -1.891 0.000 1.503 222 N HN -0.050 nan 8.380 nan 0.000 0.504 223 I N -0.145 120.098 120.570 -0.544 0.000 2.686 223 I HA 0.567 4.738 4.170 0.002 0.000 0.295 223 I C -1.416 174.587 176.117 -0.189 0.000 1.114 223 I CA -0.655 60.486 61.300 -0.265 0.000 1.038 223 I CB 1.665 39.525 38.000 -0.234 0.000 1.238 223 I HN 0.514 nan 8.210 nan 0.000 0.420 224 R N 5.819 126.331 120.500 0.020 0.000 2.686 224 R HA 0.872 5.213 4.340 0.002 0.000 0.283 224 R C -1.997 174.266 176.300 -0.061 0.000 0.978 224 R CA -0.592 55.499 56.100 -0.016 0.000 0.897 224 R CB 2.069 32.467 30.300 0.164 0.000 1.192 224 R HN 0.701 nan 8.270 nan 0.000 0.457 225 A N 3.250 126.018 122.820 -0.086 0.000 2.359 225 A HA 0.533 4.854 4.320 0.002 0.000 0.303 225 A C -1.703 175.848 177.584 -0.054 0.000 1.066 225 A CA -0.730 51.311 52.037 0.006 0.000 0.730 225 A CB 0.985 20.047 19.000 0.102 0.000 1.211 225 A HN 0.867 nan 8.150 nan 0.000 0.439 226 H N 0.316 119.411 119.070 0.042 0.000 2.481 226 H HA 0.643 5.201 4.556 0.002 0.000 0.333 226 H C -0.725 174.639 175.328 0.059 0.000 1.066 226 H CA -0.665 55.416 56.048 0.054 0.000 1.209 226 H CB 1.707 31.474 29.762 0.008 0.000 1.445 226 H HN 0.353 nan 8.280 nan 0.000 0.488 227 V N 2.609 122.648 119.914 0.208 0.000 2.668 227 V HA 0.556 4.677 4.120 0.002 0.000 0.304 227 V C 0.965 177.158 176.094 0.165 0.000 1.071 227 V CA -0.149 62.249 62.300 0.163 0.000 0.894 227 V CB 1.332 33.246 31.823 0.153 0.000 1.008 227 V HN 1.157 nan 8.190 nan 0.000 0.425 228 G N 4.167 113.021 108.800 0.091 0.000 2.651 228 G HA2 -0.260 3.701 3.960 0.002 0.000 0.315 228 G HA3 -0.260 3.701 3.960 0.002 0.000 0.315 228 G C 0.211 175.080 174.900 -0.050 0.000 1.258 228 G CA 0.784 45.900 45.100 0.026 0.000 1.002 228 G HN 0.721 nan 8.290 nan 0.000 0.551 229 D N 0.884 121.145 120.400 -0.231 0.000 2.615 229 D HA 0.416 5.057 4.640 0.002 0.000 0.236 229 D C -0.305 175.687 176.300 -0.513 0.000 1.233 229 D CA 0.295 54.077 54.000 -0.363 0.000 0.829 229 D CB 0.039 40.575 40.800 -0.441 0.000 1.024 229 D HN 0.104 nan 8.370 nan 0.000 0.490 230 F N 0.369 120.333 119.950 0.024 0.000 2.532 230 F HA 0.475 5.005 4.527 0.005 0.000 0.321 230 F C -0.029 175.789 175.800 0.030 0.000 1.089 230 F CA -1.072 56.943 58.000 0.025 0.000 0.926 230 F CB 1.556 40.568 39.000 0.020 0.000 1.168 230 F HN -0.285 nan 8.300 nan 0.000 0.459 231 I N 3.710 124.408 120.570 0.213 0.000 2.468 231 I HA 0.268 4.439 4.170 0.002 0.000 0.284 231 I C -1.131 175.043 176.117 0.094 0.000 1.038 231 I CA -0.539 60.780 61.300 0.032 0.000 1.083 231 I CB 1.362 39.329 38.000 -0.055 0.000 1.223 231 I HN 0.341 nan 8.210 nan 0.000 0.443 232 F N 5.792 125.689 119.950 -0.088 0.000 2.443 232 F HA 0.809 5.339 4.527 0.005 0.000 0.335 232 F C -0.281 175.476 175.800 -0.072 0.000 1.104 232 F CA -0.157 57.806 58.000 -0.062 0.000 1.013 232 F CB 1.505 40.465 39.000 -0.067 0.000 1.136 232 F HN 0.413 nan 8.300 nan 0.000 0.470 233 T N 4.267 118.262 114.554 -0.933 0.000 2.921 233 T HA 0.508 4.859 4.350 0.002 0.000 0.297 233 T C -1.276 172.857 174.700 -0.945 0.000 1.013 233 T CA -0.739 60.924 62.100 -0.727 0.000 0.990 233 T CB 1.486 70.230 68.868 -0.207 0.000 1.023 233 T HN 0.627 nan 8.240 nan 0.000 0.447 234 S N 1.882 117.118 115.700 -0.773 0.000 2.569 234 S HA 0.591 5.062 4.470 0.002 0.000 0.280 234 S C -0.812 173.558 174.600 -0.383 0.000 1.111 234 S CA -0.906 56.989 58.200 -0.509 0.000 0.887 234 S CB 1.047 64.033 63.200 -0.358 0.000 1.095 234 S HN 0.565 nan 8.310 nan 0.000 0.476 235 K N 1.946 122.183 120.400 -0.271 0.000 2.138 235 K HA 0.487 4.808 4.320 0.002 0.000 0.251 235 K C -0.563 175.929 176.600 -0.179 0.000 1.015 235 K CA -0.422 55.714 56.287 -0.251 0.000 0.917 235 K CB 0.432 32.829 32.500 -0.172 0.000 1.021 235 K HN 0.502 nan 8.250 nan 0.000 0.485 236 L N 0.847 121.979 121.223 -0.152 0.000 2.334 236 L HA 0.360 4.701 4.340 0.002 0.000 0.270 236 L C -0.316 176.546 176.870 -0.013 0.000 1.018 236 L CA -1.345 53.449 54.840 -0.077 0.000 0.811 236 L CB 1.626 43.640 42.059 -0.075 0.000 1.271 236 L HN 0.243 nan 8.230 nan 0.000 0.443 237 V N 0.460 120.401 119.914 0.044 0.000 2.455 237 V HA 0.001 4.122 4.120 0.002 0.000 0.273 237 V C -0.174 176.002 176.094 0.137 0.000 1.045 237 V CA -0.148 62.221 62.300 0.115 0.000 0.976 237 V CB 1.033 32.964 31.823 0.180 0.000 0.993 237 V HN 0.647 nan 8.190 nan 0.000 0.475 238 D N 4.263 124.747 120.400 0.139 0.000 2.402 238 D HA 0.532 5.173 4.640 0.002 0.000 0.235 238 D C 0.342 176.803 176.300 0.269 0.000 1.226 238 D CA 0.772 54.852 54.000 0.134 0.000 0.918 238 D CB 0.128 40.966 40.800 0.064 0.000 1.043 238 D HN 0.796 nan 8.370 nan 0.000 0.506 239 G N 2.117 111.051 108.800 0.223 0.000 2.489 239 G HA2 0.326 4.287 3.960 0.002 0.000 0.305 239 G HA3 0.326 4.287 3.960 0.002 0.000 0.305 239 G C -1.498 173.439 174.900 0.063 0.000 1.311 239 G CA -0.927 44.298 45.100 0.208 0.000 0.813 239 G HN 0.240 nan 8.290 nan 0.000 0.480 240 R N 0.086 120.527 120.500 -0.099 0.000 2.310 240 R HA 0.526 4.867 4.340 0.002 0.000 0.324 240 R C -1.559 174.645 176.300 -0.159 0.000 0.955 240 R CA -0.798 55.228 56.100 -0.123 0.000 0.830 240 R CB 1.004 31.188 30.300 -0.194 0.000 1.154 240 R HN 0.356 nan 8.270 nan 0.000 0.458 241 F N 5.593 125.474 119.950 -0.116 0.000 2.371 241 F HA 0.436 4.963 4.527 0.000 0.000 0.329 241 F C -1.313 174.452 175.800 -0.058 0.000 1.107 241 F CA -1.682 56.293 58.000 -0.041 0.000 1.137 241 F CB 0.788 39.796 39.000 0.012 0.000 1.214 241 F HN 0.443 nan 8.300 nan 0.000 0.536 242 P HA -0.012 nan 4.420 nan 0.000 0.269 242 P C -1.175 176.160 177.300 0.059 0.000 1.209 242 P CA -0.112 62.891 63.100 -0.163 0.000 0.776 242 P CB 0.571 32.107 31.700 -0.273 0.000 0.876 243 D N 1.659 122.065 120.400 0.011 0.000 2.411 243 D HA 0.005 4.646 4.640 0.002 0.000 0.225 243 D C 1.260 177.552 176.300 -0.013 0.000 1.156 243 D CA -0.505 53.503 54.000 0.013 0.000 0.874 243 D CB 0.021 40.780 40.800 -0.067 0.000 1.034 243 D HN 0.357 nan 8.370 nan 0.000 0.502 244 Y N 3.765 124.072 120.300 0.011 0.000 2.241 244 Y HA -0.221 4.330 4.550 0.002 0.000 0.286 244 Y C 1.773 177.658 175.900 -0.024 0.000 1.166 244 Y CA 1.158 59.249 58.100 -0.014 0.000 1.203 244 Y CB -0.318 38.128 38.460 -0.022 0.000 0.977 244 Y HN 0.239 nan 8.280 nan 0.000 0.529 245 R N 0.439 120.401 120.500 -0.896 0.000 2.159 245 R HA -0.055 4.286 4.340 0.002 0.000 0.237 245 R C 2.033 178.168 176.300 -0.275 0.000 1.131 245 R CA 1.686 57.380 56.100 -0.677 0.000 0.982 245 R CB -0.222 29.706 30.300 -0.620 0.000 0.868 245 R HN 0.443 nan 8.270 nan 0.000 0.453 246 R N -0.371 120.015 120.500 -0.190 0.000 2.312 246 R HA 0.098 4.439 4.340 0.002 0.000 0.205 246 R C 1.542 177.803 176.300 -0.066 0.000 0.904 246 R CA 0.233 56.269 56.100 -0.107 0.000 1.052 246 R CB 0.581 30.826 30.300 -0.092 0.000 1.014 246 R HN 0.071 nan 8.270 nan 0.000 0.503 247 V N 1.331 121.215 119.914 -0.049 0.000 2.825 247 V HA 0.020 4.141 4.120 0.002 0.000 0.246 247 V C 1.206 177.305 176.094 0.008 0.000 1.068 247 V CA 0.540 62.833 62.300 -0.012 0.000 1.088 247 V CB -0.042 31.787 31.823 0.010 0.000 0.733 247 V HN 0.172 nan 8.190 nan 0.000 0.468 248 L N 3.430 124.662 121.223 0.014 0.000 2.525 248 L HA 0.122 4.463 4.340 0.002 0.000 0.278 248 L C -1.828 175.052 176.870 0.018 0.000 1.218 248 L CA -1.164 53.696 54.840 0.032 0.000 0.878 248 L CB -0.302 41.781 42.059 0.041 0.000 1.127 248 L HN 0.152 nan 8.230 nan 0.000 0.492 249 P HA 0.020 nan 4.420 nan 0.000 0.266 249 P C -0.426 176.881 177.300 0.013 0.000 1.195 249 P CA -0.239 62.876 63.100 0.024 0.000 0.768 249 P CB 0.826 32.548 31.700 0.037 0.000 0.838 250 K N 1.738 122.140 120.400 0.004 0.000 2.025 250 K HA -0.017 4.304 4.320 0.002 0.000 0.207 250 K C 0.818 177.419 176.600 0.002 0.000 1.049 250 K CA 1.578 57.864 56.287 -0.002 0.000 0.933 250 K CB -0.171 32.325 32.500 -0.008 0.000 0.714 250 K HN 0.438 nan 8.250 nan 0.000 0.438 251 N N 1.083 119.783 118.700 0.000 0.000 2.813 251 N HA 0.146 4.887 4.740 0.002 0.000 0.282 251 N C -2.660 172.840 175.510 -0.018 0.000 1.748 251 N CA -0.901 52.147 53.050 -0.005 0.000 0.860 251 N CB 1.347 39.831 38.487 -0.005 0.000 1.204 251 N HN 0.083 nan 8.380 nan 0.000 0.490 252 P HA 0.256 nan 4.420 nan 0.000 0.219 252 P C -0.183 176.995 177.300 -0.204 0.000 1.832 252 P CA -0.175 62.882 63.100 -0.073 0.000 1.014 252 P CB 0.563 32.241 31.700 -0.038 0.000 1.939 253 D N 0.837 121.147 120.400 -0.149 0.000 2.219 253 D HA -0.079 4.562 4.640 0.002 0.000 0.205 253 D C 0.496 176.633 176.300 -0.272 0.000 0.970 253 D CA 1.113 55.004 54.000 -0.181 0.000 0.851 253 D CB 0.115 40.879 40.800 -0.060 0.000 0.943 253 D HN 0.393 nan 8.370 nan 0.000 0.488 254 K N 1.705 122.008 120.400 -0.161 0.000 2.315 254 K HA 0.101 4.422 4.320 0.002 0.000 0.291 254 K C -0.163 176.423 176.600 -0.024 0.000 1.074 254 K CA 0.009 56.297 56.287 0.002 0.000 0.936 254 K CB 0.497 33.110 32.500 0.188 0.000 1.049 254 K HN 0.121 nan 8.250 nan 0.000 0.471 255 H N 3.029 122.206 119.070 0.177 0.000 2.504 255 H HA 0.250 4.807 4.556 0.001 0.000 0.322 255 H C -0.686 174.812 175.328 0.285 0.000 1.055 255 H CA -0.638 55.513 56.048 0.171 0.000 1.231 255 H CB 1.373 31.184 29.762 0.082 0.000 1.417 255 H HN 0.426 nan 8.280 nan 0.000 0.472 256 L N 2.980 124.426 121.223 0.372 0.000 2.362 256 L HA 0.409 4.750 4.340 0.002 0.000 0.275 256 L C -0.456 176.526 176.870 0.187 0.000 0.998 256 L CA -0.594 54.430 54.840 0.307 0.000 0.820 256 L CB 1.914 44.063 42.059 0.151 0.000 1.270 256 L HN 0.604 nan 8.230 nan 0.000 0.415 257 E N 4.287 124.578 120.200 0.152 0.000 2.222 257 E HA 0.821 5.172 4.350 0.002 0.000 0.267 257 E C -1.695 174.952 176.600 0.078 0.000 0.884 257 E CA -0.668 55.791 56.400 0.099 0.000 0.764 257 E CB 2.096 31.841 29.700 0.075 0.000 1.169 257 E HN 0.808 nan 8.360 nan 0.000 0.413 258 A N 2.561 125.417 122.820 0.061 0.000 2.612 258 A HA 0.675 4.996 4.320 0.002 0.000 0.293 258 A C -0.333 177.272 177.584 0.036 0.000 1.075 258 A CA -0.332 51.732 52.037 0.045 0.000 0.680 258 A CB 1.268 20.292 19.000 0.041 0.000 1.279 258 A HN 0.678 nan 8.150 nan 0.000 0.411 259 G N -0.371 108.444 108.800 0.025 0.000 2.340 259 G HA2 0.324 4.285 3.960 0.002 0.000 0.245 259 G HA3 0.324 4.285 3.960 0.002 0.000 0.245 259 G C 1.129 176.042 174.900 0.021 0.000 1.294 259 G CA 0.491 45.603 45.100 0.019 0.000 0.896 259 G HN 1.483 nan 8.290 nan 0.000 0.522 260 C N 1.749 121.061 119.300 0.019 0.000 2.413 260 C HA -0.123 4.338 4.460 0.002 0.000 0.277 260 C C 2.281 177.281 174.990 0.017 0.000 1.228 260 C CA 1.722 60.751 59.018 0.018 0.000 1.731 260 C CB -0.663 27.080 27.740 0.006 0.000 2.042 260 C HN 0.871 nan 8.230 nan 0.000 0.468 261 D N -0.425 119.980 120.400 0.008 0.000 2.117 261 D HA -0.095 4.546 4.640 0.002 0.000 0.198 261 D C 2.234 178.538 176.300 0.006 0.000 0.982 261 D CA 1.219 55.222 54.000 0.005 0.000 0.828 261 D CB -0.201 40.599 40.800 -0.001 0.000 0.967 261 D HN 0.560 nan 8.370 nan 0.000 0.464 262 L N 0.462 121.686 121.223 0.001 0.000 2.083 262 L HA -0.193 4.148 4.340 0.002 0.000 0.209 262 L C 2.627 179.485 176.870 -0.020 0.000 1.083 262 L CA 0.440 55.273 54.840 -0.011 0.000 0.752 262 L CB -0.293 41.758 42.059 -0.014 0.000 0.899 262 L HN 0.143 nan 8.230 nan 0.000 0.433 263 L N 0.141 121.366 121.223 0.004 0.000 2.056 263 L HA -0.214 4.127 4.340 0.002 0.000 0.207 263 L C 2.546 179.483 176.870 0.112 0.000 1.078 263 L CA 1.772 56.624 54.840 0.020 0.000 0.749 263 L CB -0.592 41.521 42.059 0.090 0.000 0.901 263 L HN 0.133 nan 8.230 nan 0.000 0.433 264 K N -1.355 119.112 120.400 0.112 0.000 2.057 264 K HA -0.168 4.153 4.320 0.002 0.000 0.206 264 K C 1.982 178.638 176.600 0.093 0.000 1.050 264 K CA 1.159 57.525 56.287 0.131 0.000 0.935 264 K CB 0.008 32.534 32.500 0.044 0.000 0.715 264 K HN 0.343 nan 8.250 nan 0.000 0.439 265 Q N 0.203 120.023 119.800 0.034 0.000 2.124 265 Q HA -0.082 4.259 4.340 0.002 0.000 0.202 265 Q C 2.027 178.024 176.000 -0.005 0.000 0.977 265 Q CA 1.468 57.278 55.803 0.012 0.000 0.850 265 Q CB -0.362 28.373 28.738 -0.005 0.000 0.901 265 Q HN 0.411 nan 8.270 nan 0.000 0.429 266 A N 0.030 122.817 122.820 -0.054 0.000 1.873 266 A HA -0.125 4.196 4.320 0.002 0.000 0.215 266 A C 1.894 179.403 177.584 -0.126 0.000 1.186 266 A CA 1.056 53.010 52.037 -0.137 0.000 0.616 266 A CB -0.741 18.102 19.000 -0.261 0.000 0.823 266 A HN 0.251 nan 8.150 nan 0.000 0.442 267 F N 0.310 120.252 119.950 -0.013 0.000 2.171 267 F HA -0.070 4.457 4.527 0.001 0.000 0.300 267 F C 2.797 178.588 175.800 -0.015 0.000 1.090 267 F CA 0.769 58.762 58.000 -0.012 0.000 1.293 267 F CB -0.681 38.306 39.000 -0.021 0.000 1.013 267 F HN 0.258 nan 8.300 nan 0.000 0.486 268 A N 0.148 123.065 122.820 0.162 0.000 1.883 268 A HA -0.204 4.117 4.320 0.002 0.000 0.217 268 A C 2.371 179.985 177.584 0.050 0.000 1.186 268 A CA 1.734 53.819 52.037 0.080 0.000 0.624 268 A CB -0.631 18.396 19.000 0.045 0.000 0.822 268 A HN 0.308 nan 8.150 nan 0.000 0.444 269 R N -0.796 119.723 120.500 0.031 0.000 2.066 269 R HA -0.021 4.320 4.340 0.002 0.000 0.232 269 R C 2.522 178.834 176.300 0.019 0.000 1.131 269 R CA 1.133 57.241 56.100 0.013 0.000 0.955 269 R CB -0.462 29.835 30.300 -0.005 0.000 0.851 269 R HN 0.505 nan 8.270 nan 0.000 0.432 270 A N 1.328 124.164 122.820 0.026 0.000 1.933 270 A HA -0.111 4.210 4.320 0.002 0.000 0.218 270 A C 2.340 179.959 177.584 0.059 0.000 1.175 270 A CA 1.639 53.698 52.037 0.036 0.000 0.628 270 A CB -0.565 18.458 19.000 0.038 0.000 0.814 270 A HN 0.400 nan 8.150 nan 0.000 0.444 271 A N -0.015 122.852 122.820 0.078 0.000 2.024 271 A HA -0.090 4.231 4.320 0.002 0.000 0.220 271 A C 1.999 179.602 177.584 0.031 0.000 1.164 271 A CA 1.387 53.461 52.037 0.061 0.000 0.643 271 A CB -0.675 18.359 19.000 0.057 0.000 0.806 271 A HN 0.534 nan 8.150 nan 0.000 0.451 272 I N -0.627 119.957 120.570 0.025 0.000 2.248 272 I HA -0.242 3.929 4.170 0.002 0.000 0.248 272 I C 1.340 177.464 176.117 0.011 0.000 1.107 272 I CA 1.189 62.496 61.300 0.012 0.000 1.373 272 I CB -0.168 37.837 38.000 0.009 0.000 1.055 272 I HN 0.247 nan 8.210 nan 0.000 0.418 273 L N 0.500 121.734 121.223 0.017 0.000 2.791 273 L HA 0.174 4.515 4.340 0.002 0.000 0.239 273 L C 0.809 177.693 176.870 0.024 0.000 1.203 273 L CA -0.361 54.489 54.840 0.016 0.000 1.002 273 L CB -0.374 41.694 42.059 0.014 0.000 1.295 273 L HN 0.210 nan 8.230 nan 0.000 0.504 274 S N -1.792 113.925 115.700 0.027 0.000 2.687 274 S HA 0.216 4.687 4.470 0.002 0.000 0.283 274 S C -0.056 174.562 174.600 0.030 0.000 1.170 274 S CA -0.755 57.466 58.200 0.036 0.000 1.008 274 S CB 1.469 64.694 63.200 0.041 0.000 1.026 274 S HN 0.306 nan 8.310 nan 0.000 0.541 275 N N 0.649 119.380 118.700 0.051 0.000 2.359 275 N HA -0.017 4.724 4.740 0.002 0.000 0.261 275 N C 0.975 176.486 175.510 0.003 0.000 1.267 275 N CA 0.137 53.220 53.050 0.056 0.000 0.864 275 N CB 0.332 38.914 38.487 0.157 0.000 1.063 275 N HN 0.753 nan 8.380 nan 0.000 0.474 276 E N 2.200 122.382 120.200 -0.031 0.000 2.153 276 E HA -0.227 4.124 4.350 0.002 0.000 0.194 276 E C 1.016 177.544 176.600 -0.120 0.000 0.988 276 E CA 1.235 57.597 56.400 -0.063 0.000 0.811 276 E CB 0.248 29.913 29.700 -0.060 0.000 0.746 276 E HN 0.613 nan 8.360 nan 0.000 0.466 277 K N -0.265 120.017 120.400 -0.198 0.000 2.056 277 K HA 0.006 4.327 4.320 0.002 0.000 0.205 277 K C 1.818 178.191 176.600 -0.378 0.000 1.035 277 K CA 0.872 56.935 56.287 -0.374 0.000 0.955 277 K CB -0.143 31.964 32.500 -0.655 0.000 0.769 277 K HN 0.006 nan 8.250 nan 0.000 0.447 278 F N 1.260 121.168 119.950 -0.069 0.000 2.325 278 F HA 0.077 4.606 4.527 0.004 0.000 0.299 278 F C 0.573 176.302 175.800 -0.117 0.000 1.090 278 F CA 0.542 58.488 58.000 -0.091 0.000 1.392 278 F CB -0.218 38.743 39.000 -0.065 0.000 1.053 278 F HN -0.011 nan 8.300 nan 0.000 0.521 279 R N -0.303 120.230 120.500 0.055 0.000 3.741 279 R HA -0.167 4.174 4.340 0.002 0.000 0.292 279 R C 0.645 176.953 176.300 0.013 0.000 1.176 279 R CA 0.519 56.616 56.100 -0.005 0.000 0.794 279 R CB -2.637 27.609 30.300 -0.091 0.000 1.213 279 R HN 0.387 nan 8.270 nan 0.000 0.494 280 G N 0.776 109.611 108.800 0.058 0.000 2.406 280 G HA2 0.444 4.405 3.960 0.002 0.000 0.251 280 G HA3 0.444 4.405 3.960 0.002 0.000 0.251 280 G C 0.378 175.317 174.900 0.065 0.000 1.271 280 G CA 0.062 45.189 45.100 0.046 0.000 0.859 280 G HN 0.197 nan 8.290 nan 0.000 0.540 281 V N 0.010 119.983 119.914 0.098 0.000 2.914 281 V HA 0.865 4.986 4.120 0.002 0.000 0.314 281 V C -0.447 175.737 176.094 0.149 0.000 1.084 281 V CA -1.673 60.711 62.300 0.141 0.000 0.963 281 V CB 2.050 34.011 31.823 0.230 0.000 1.025 281 V HN 0.668 nan 8.190 nan 0.000 0.432 282 R N 2.095 122.674 120.500 0.133 0.000 2.393 282 R HA 0.819 5.160 4.340 0.002 0.000 0.310 282 R C -1.424 174.974 176.300 0.163 0.000 0.968 282 R CA -0.621 55.550 56.100 0.118 0.000 0.867 282 R CB 1.301 31.649 30.300 0.079 0.000 1.124 282 R HN 0.812 nan 8.270 nan 0.000 0.450 283 L N 4.490 125.819 121.223 0.177 0.000 2.341 283 L HA 0.442 4.783 4.340 0.002 0.000 0.278 283 L C -1.158 175.781 176.870 0.116 0.000 1.005 283 L CA -0.544 54.401 54.840 0.175 0.000 0.818 283 L CB 1.469 43.677 42.059 0.248 0.000 1.259 283 L HN 0.587 nan 8.230 nan 0.000 0.418 284 Y N 3.305 123.611 120.300 0.011 0.000 2.338 284 Y HA 0.639 5.190 4.550 0.001 0.000 0.328 284 Y C -0.777 175.091 175.900 -0.053 0.000 0.965 284 Y CA -0.780 57.312 58.100 -0.014 0.000 1.208 284 Y CB 1.736 40.190 38.460 -0.011 0.000 1.132 284 Y HN 0.365 nan 8.280 nan 0.000 0.469 285 V N 6.806 126.519 119.914 -0.334 0.000 2.472 285 V HA 0.807 4.928 4.120 0.002 0.000 0.290 285 V C -0.776 175.205 176.094 -0.188 0.000 1.037 285 V CA 0.311 62.425 62.300 -0.310 0.000 0.908 285 V CB 1.288 32.728 31.823 -0.638 0.000 0.985 285 V HN 0.905 nan 8.190 nan 0.000 0.454 286 S N 3.390 119.111 115.700 0.035 0.000 2.671 286 S HA 0.507 4.979 4.470 0.002 0.000 0.277 286 S C -0.535 174.245 174.600 0.301 0.000 1.165 286 S CA -0.798 57.541 58.200 0.232 0.000 0.822 286 S CB 1.209 64.588 63.200 0.297 0.000 1.150 286 S HN 0.923 nan 8.310 nan 0.000 0.479 287 E N 1.407 121.768 120.200 0.268 0.000 3.102 287 E HA -0.076 4.275 4.350 0.002 0.000 0.235 287 E C 0.064 176.771 176.600 0.178 0.000 0.995 287 E CA 1.391 57.916 56.400 0.207 0.000 0.950 287 E CB -1.628 28.143 29.700 0.119 0.000 0.905 287 E HN 0.658 nan 8.360 nan 0.000 0.553 288 N N 2.633 121.461 118.700 0.212 0.000 2.678 288 N HA -0.324 4.417 4.740 0.002 0.000 0.249 288 N C -0.580 174.996 175.510 0.111 0.000 1.119 288 N CA 0.889 54.030 53.050 0.152 0.000 0.718 288 N CB -0.460 38.084 38.487 0.094 0.000 1.060 288 N HN 0.693 nan 8.380 nan 0.000 0.552 289 Q N 0.511 120.380 119.800 0.114 0.000 2.377 289 Q HA 0.621 4.962 4.340 0.002 0.000 0.279 289 Q C -2.091 173.933 176.000 0.040 0.000 1.049 289 Q CA -0.857 54.986 55.803 0.066 0.000 0.825 289 Q CB 1.758 30.535 28.738 0.066 0.000 1.401 289 Q HN 0.193 nan 8.270 nan 0.000 0.404 290 L N 2.543 123.772 121.223 0.011 0.000 2.381 290 L HA 0.580 4.921 4.340 0.002 0.000 0.274 290 L C -1.689 175.175 176.870 -0.010 0.000 0.988 290 L CA -0.182 54.652 54.840 -0.011 0.000 0.824 290 L CB 1.785 43.815 42.059 -0.048 0.000 1.263 290 L HN 0.513 nan 8.230 nan 0.000 0.410 291 K N 6.214 126.635 120.400 0.036 0.000 2.339 291 K HA 0.535 4.856 4.320 0.002 0.000 0.264 291 K C -1.310 175.302 176.600 0.020 0.000 0.986 291 K CA -0.484 55.818 56.287 0.024 0.000 0.866 291 K CB 1.242 33.777 32.500 0.059 0.000 1.103 291 K HN 0.641 nan 8.250 nan 0.000 0.441 292 I N 3.234 123.775 120.570 -0.049 0.000 2.339 292 I HA 0.192 4.363 4.170 0.002 0.000 0.290 292 I C 0.396 176.510 176.117 -0.005 0.000 0.994 292 I CA -0.545 60.729 61.300 -0.044 0.000 1.191 292 I CB 1.818 39.678 38.000 -0.234 0.000 1.343 292 I HN 0.537 nan 8.210 nan 0.000 0.458 293 T N 2.721 117.303 114.554 0.046 0.000 2.887 293 T HA 0.900 5.251 4.350 0.002 0.000 0.288 293 T C -0.656 174.078 174.700 0.057 0.000 1.021 293 T CA -0.872 61.251 62.100 0.037 0.000 1.000 293 T CB 2.244 71.132 68.868 0.033 0.000 1.034 293 T HN 0.673 nan 8.240 nan 0.000 0.467 294 A N 2.291 125.136 122.820 0.042 0.000 2.455 294 A HA 0.831 5.152 4.320 0.002 0.000 0.300 294 A C -1.048 176.555 177.584 0.032 0.000 1.040 294 A CA -1.021 51.045 52.037 0.047 0.000 0.697 294 A CB 1.197 20.229 19.000 0.054 0.000 1.265 294 A HN 0.891 nan 8.150 nan 0.000 0.407 295 N N 0.754 119.473 118.700 0.032 0.000 2.284 295 N HA 0.660 5.401 4.740 0.002 0.000 0.289 295 N C -0.846 174.682 175.510 0.030 0.000 1.179 295 N CA -0.735 52.330 53.050 0.024 0.000 0.774 295 N CB 1.893 40.391 38.487 0.019 0.000 1.548 295 N HN 0.838 nan 8.380 nan 0.000 0.473 296 N N -0.463 118.253 118.700 0.026 0.000 2.966 296 N HA 0.562 5.303 4.740 0.002 0.000 0.314 296 N C -2.516 173.011 175.510 0.030 0.000 1.397 296 N CA -1.724 51.345 53.050 0.032 0.000 0.776 296 N CB 0.007 38.509 38.487 0.024 0.000 1.576 296 N HN 0.109 nan 8.380 nan 0.000 0.592 297 P HA -0.023 nan 4.420 nan 0.000 0.218 297 P C 0.182 177.492 177.300 0.018 0.000 1.149 297 P CA 1.292 64.409 63.100 0.029 0.000 0.817 297 P CB 0.172 31.892 31.700 0.032 0.000 0.785 298 E N -0.550 119.658 120.200 0.014 0.000 2.515 298 E HA -0.087 4.264 4.350 0.002 0.000 0.201 298 E C 0.419 177.023 176.600 0.008 0.000 1.071 298 E CA 0.304 56.709 56.400 0.009 0.000 0.880 298 E CB -0.643 29.061 29.700 0.006 0.000 0.828 298 E HN 0.254 nan 8.360 nan 0.000 0.540 299 Q N -0.654 119.152 119.800 0.010 0.000 2.503 299 Q HA -0.217 4.124 4.340 0.002 0.000 0.267 299 Q C -0.765 175.239 176.000 0.006 0.000 1.030 299 Q CA 0.570 56.378 55.803 0.008 0.000 1.041 299 Q CB -1.691 27.050 28.738 0.005 0.000 1.406 299 Q HN 0.461 nan 8.270 nan 0.000 0.524 300 E N 0.589 120.794 120.200 0.007 0.000 2.345 300 E HA 0.437 4.788 4.350 0.002 0.000 0.259 300 E C -0.131 176.473 176.600 0.007 0.000 1.117 300 E CA -0.182 56.222 56.400 0.005 0.000 0.913 300 E CB 0.972 30.675 29.700 0.005 0.000 1.057 300 E HN 0.165 nan 8.360 nan 0.000 0.432 301 E N -0.082 120.120 120.200 0.005 0.000 2.304 301 E HA 0.518 4.869 4.350 0.002 0.000 0.277 301 E C -1.953 174.649 176.600 0.003 0.000 0.898 301 E CA -0.607 55.796 56.400 0.005 0.000 0.764 301 E CB 1.649 31.350 29.700 0.002 0.000 1.216 301 E HN 0.507 nan 8.360 nan 0.000 0.419 302 A N 3.726 126.550 122.820 0.006 0.000 2.350 302 A HA 0.655 4.976 4.320 0.002 0.000 0.324 302 A C -0.974 176.608 177.584 -0.003 0.000 1.118 302 A CA -0.532 51.506 52.037 0.002 0.000 0.783 302 A CB 1.505 20.509 19.000 0.007 0.000 1.236 302 A HN 0.632 nan 8.150 nan 0.000 0.457 303 E N 1.575 121.767 120.200 -0.014 0.000 2.275 303 E HA 0.449 4.800 4.350 0.002 0.000 0.270 303 E C -1.468 175.110 176.600 -0.037 0.000 0.882 303 E CA -0.459 55.928 56.400 -0.022 0.000 0.758 303 E CB 1.348 31.036 29.700 -0.021 0.000 1.195 303 E HN 0.591 nan 8.360 nan 0.000 0.419 304 E N 4.263 124.429 120.200 -0.057 0.000 2.234 304 E HA 0.380 4.731 4.350 0.002 0.000 0.266 304 E C -0.623 175.930 176.600 -0.078 0.000 0.877 304 E CA -0.830 55.523 56.400 -0.078 0.000 0.758 304 E CB 1.858 31.482 29.700 -0.128 0.000 1.170 304 E HN 0.446 nan 8.360 nan 0.000 0.415 305 I N 3.842 124.375 120.570 -0.062 0.000 2.433 305 I HA 0.415 4.586 4.170 0.002 0.000 0.292 305 I C -0.429 175.657 176.117 -0.051 0.000 1.001 305 I CA -1.039 60.232 61.300 -0.049 0.000 1.119 305 I CB 0.864 38.846 38.000 -0.031 0.000 1.289 305 I HN 0.328 nan 8.210 nan 0.000 0.438 306 L N 3.297 124.491 121.223 -0.048 0.000 2.424 306 L HA 0.668 5.009 4.340 0.002 0.000 0.258 306 L C -0.795 176.065 176.870 -0.016 0.000 0.995 306 L CA -0.823 53.993 54.840 -0.040 0.000 0.821 306 L CB 0.981 43.001 42.059 -0.065 0.000 1.383 306 L HN 0.208 nan 8.230 nan 0.000 0.410 307 D N 1.704 122.101 120.400 -0.004 0.000 2.312 307 D HA 0.574 5.215 4.640 0.002 0.000 0.252 307 D C 0.221 176.534 176.300 0.022 0.000 1.150 307 D CA 0.154 54.162 54.000 0.014 0.000 0.870 307 D CB 1.944 42.752 40.800 0.014 0.000 1.153 307 D HN 0.730 nan 8.370 nan 0.000 0.457 308 V N -0.396 119.544 119.914 0.043 0.000 3.156 308 V HA 0.680 4.801 4.120 0.002 0.000 0.310 308 V C -0.316 175.832 176.094 0.092 0.000 1.234 308 V CA -0.793 61.543 62.300 0.060 0.000 1.065 308 V CB 2.024 33.882 31.823 0.059 0.000 1.088 308 V HN 0.353 nan 8.190 nan 0.000 0.451 309 T N 2.499 117.119 114.554 0.111 0.000 2.770 309 T HA 0.673 5.024 4.350 0.002 0.000 0.297 309 T C -1.439 173.389 174.700 0.213 0.000 0.997 309 T CA 0.166 62.339 62.100 0.121 0.000 0.949 309 T CB -0.056 68.862 68.868 0.082 0.000 0.941 309 T HN 0.900 nan 8.240 nan 0.000 0.457 310 Y N 1.445 121.771 120.300 0.044 0.000 2.390 310 Y HA 0.395 4.946 4.550 0.002 0.000 0.324 310 Y C -0.028 175.898 175.900 0.043 0.000 1.151 310 Y CA -0.728 57.402 58.100 0.050 0.000 1.053 310 Y CB 1.692 40.181 38.460 0.048 0.000 1.277 310 Y HN 0.498 nan 8.280 nan 0.000 0.432 311 S N 2.791 118.138 115.700 -0.589 0.000 2.730 311 S HA 0.318 4.789 4.470 0.002 0.000 0.244 311 S C 0.489 174.775 174.600 -0.522 0.000 1.022 311 S CA 0.119 58.082 58.200 -0.394 0.000 1.014 311 S CB 0.600 63.684 63.200 -0.193 0.000 0.963 311 S HN 0.921 nan 8.310 nan 0.000 0.540 312 G N 1.312 109.429 108.800 -1.140 0.000 2.532 312 G HA2 0.673 4.634 3.960 0.002 0.000 0.291 312 G HA3 0.673 4.634 3.960 0.002 0.000 0.291 312 G C -0.088 174.771 174.900 -0.070 0.000 1.349 312 G CA -0.478 44.298 45.100 -0.541 0.000 1.038 312 G HN 0.434 nan 8.290 nan 0.000 0.518 313 A N -0.563 122.296 122.820 0.065 0.000 2.462 313 A HA 0.391 4.712 4.320 0.002 0.000 0.243 313 A C 0.521 178.217 177.584 0.188 0.000 1.076 313 A CA -0.103 52.001 52.037 0.111 0.000 0.773 313 A CB -0.023 19.014 19.000 0.061 0.000 1.010 313 A HN 0.628 nan 8.150 nan 0.000 0.493 314 E N 0.684 120.960 120.200 0.126 0.000 2.398 314 E HA 0.399 4.750 4.350 0.002 0.000 0.263 314 E C -0.086 176.431 176.600 -0.139 0.000 1.046 314 E CA 0.446 56.856 56.400 0.018 0.000 0.908 314 E CB 0.514 30.279 29.700 0.109 0.000 0.963 314 E HN 0.711 nan 8.360 nan 0.000 0.431 315 M N -0.397 118.959 119.600 -0.406 0.000 2.643 315 M HA 0.441 4.922 4.480 0.002 0.000 0.276 315 M C -1.400 174.562 176.300 -0.564 0.000 1.200 315 M CA -0.914 54.170 55.300 -0.360 0.000 0.863 315 M CB 2.237 34.741 32.600 -0.160 0.000 1.711 315 M HN 0.346 nan 8.290 nan 0.000 0.492 316 E N 1.700 121.703 120.200 -0.328 0.000 2.222 316 E HA 0.843 5.194 4.350 0.002 0.000 0.267 316 E C -2.079 174.459 176.600 -0.103 0.000 0.884 316 E CA -0.868 55.412 56.400 -0.199 0.000 0.764 316 E CB 2.793 32.481 29.700 -0.020 0.000 1.169 316 E HN 0.775 nan 8.360 nan 0.000 0.413 317 I N 2.335 122.866 120.570 -0.066 0.000 2.841 317 I HA 0.548 4.719 4.170 0.002 0.000 0.298 317 I C -1.003 175.012 176.117 -0.170 0.000 1.304 317 I CA -0.596 60.620 61.300 -0.139 0.000 1.019 317 I CB 1.999 39.925 38.000 -0.123 0.000 1.282 317 I HN 0.657 nan 8.210 nan 0.000 0.432 318 G N 5.166 113.761 108.800 -0.342 0.000 2.388 318 G HA2 0.726 4.687 3.960 0.002 0.000 0.330 318 G HA3 0.726 4.687 3.960 0.002 0.000 0.330 318 G C -1.712 172.851 174.900 -0.561 0.000 1.142 318 G CA -0.308 44.631 45.100 -0.268 0.000 0.908 318 G HN 0.400 nan 8.290 nan 0.000 0.473 319 F N 0.142 120.108 119.950 0.027 0.000 2.601 319 F HA 0.338 4.866 4.527 0.001 0.000 0.309 319 F C 0.126 175.911 175.800 -0.025 0.000 1.089 319 F CA -1.241 56.769 58.000 0.017 0.000 0.940 319 F CB 2.281 41.281 39.000 -0.002 0.000 1.273 319 F HN 0.373 nan 8.300 nan 0.000 0.450 320 N N 1.858 120.650 118.700 0.153 0.000 2.431 320 N HA -0.014 4.727 4.740 0.002 0.000 0.265 320 N C 0.760 176.214 175.510 -0.095 0.000 1.184 320 N CA 0.355 53.340 53.050 -0.109 0.000 0.943 320 N CB 1.545 39.711 38.487 -0.534 0.000 1.080 320 N HN 0.670 nan 8.380 nan 0.000 0.477 321 V N 3.805 123.673 119.914 -0.076 0.000 2.594 321 V HA -0.187 3.934 4.120 0.002 0.000 0.253 321 V C 1.910 177.927 176.094 -0.128 0.000 1.069 321 V CA 1.931 64.174 62.300 -0.095 0.000 1.082 321 V CB -0.331 31.497 31.823 0.009 0.000 0.680 321 V HN 0.736 nan 8.190 nan 0.000 0.469 322 S N -0.741 114.873 115.700 -0.144 0.000 2.383 322 S HA -0.144 4.327 4.470 0.002 0.000 0.227 322 S C 1.759 176.376 174.600 0.028 0.000 1.026 322 S CA 1.540 59.688 58.200 -0.087 0.000 0.981 322 S CB -0.393 62.743 63.200 -0.107 0.000 0.818 322 S HN 0.724 nan 8.310 nan 0.000 0.472 323 Y N 1.480 121.769 120.300 -0.018 0.000 2.181 323 Y HA -0.049 4.501 4.550 -0.000 0.000 0.288 323 Y C 2.522 178.364 175.900 -0.097 0.000 1.146 323 Y CA -0.335 57.772 58.100 0.010 0.000 1.164 323 Y CB -1.334 37.164 38.460 0.064 0.000 0.982 323 Y HN 0.061 nan 8.280 nan 0.000 0.515 324 V N -0.131 119.748 119.914 -0.059 0.000 2.358 324 V HA -0.266 3.855 4.120 0.002 0.000 0.246 324 V C 2.443 178.349 176.094 -0.313 0.000 1.047 324 V CA 1.437 63.548 62.300 -0.315 0.000 1.035 324 V CB -0.853 30.552 31.823 -0.697 0.000 0.658 324 V HN 0.317 nan 8.190 nan 0.000 0.452 325 L N -0.203 120.872 121.223 -0.247 0.000 2.083 325 L HA -0.180 4.161 4.340 0.002 0.000 0.209 325 L C 2.392 179.119 176.870 -0.238 0.000 1.083 325 L CA 1.465 56.194 54.840 -0.186 0.000 0.752 325 L CB -0.711 41.284 42.059 -0.106 0.000 0.899 325 L HN 0.349 nan 8.230 nan 0.000 0.433 326 D N -0.371 119.879 120.400 -0.250 0.000 2.123 326 D HA -0.159 4.482 4.640 0.002 0.000 0.196 326 D C 2.313 178.094 176.300 -0.865 0.000 0.992 326 D CA 1.157 54.852 54.000 -0.509 0.000 0.833 326 D CB -0.224 40.363 40.800 -0.355 0.000 0.954 326 D HN 0.110 nan 8.370 nan 0.000 0.455 327 V N 1.185 120.752 119.914 -0.579 0.000 2.295 327 V HA -0.207 3.914 4.120 0.002 0.000 0.246 327 V C 2.660 178.437 176.094 -0.530 0.000 1.049 327 V CA 1.142 63.058 62.300 -0.640 0.000 1.024 327 V CB -0.489 31.084 31.823 -0.417 0.000 0.648 327 V HN 0.208 nan 8.190 nan 0.000 0.447 328 L N -0.041 120.977 121.223 -0.341 0.000 2.131 328 L HA -0.198 4.143 4.340 0.002 0.000 0.210 328 L C 2.219 178.964 176.870 -0.208 0.000 1.092 328 L CA 1.880 56.591 54.840 -0.214 0.000 0.759 328 L CB -0.851 41.139 42.059 -0.115 0.000 0.903 328 L HN 0.469 nan 8.230 nan 0.000 0.435 329 N N -0.103 118.438 118.700 -0.265 0.000 2.188 329 N HA -0.119 4.622 4.740 0.002 0.000 0.184 329 N C 1.952 177.323 175.510 -0.230 0.000 1.018 329 N CA 0.941 53.858 53.050 -0.222 0.000 0.858 329 N CB -0.073 38.270 38.487 -0.240 0.000 0.989 329 N HN 0.297 nan 8.380 nan 0.000 0.426 330 A N 1.133 123.738 122.820 -0.359 0.000 1.929 330 A HA -0.020 4.301 4.320 0.002 0.000 0.216 330 A C 2.110 179.633 177.584 -0.103 0.000 1.176 330 A CA 0.717 52.614 52.037 -0.234 0.000 0.628 330 A CB -0.532 18.295 19.000 -0.289 0.000 0.816 330 A HN 0.134 nan 8.150 nan 0.000 0.444 331 L N -1.236 119.897 121.223 -0.149 0.000 1.970 331 L HA -0.188 4.153 4.340 0.002 0.000 0.212 331 L C 0.848 177.710 176.870 -0.014 0.000 1.071 331 L CA 1.746 56.561 54.840 -0.042 0.000 0.751 331 L CB -0.548 41.476 42.059 -0.058 0.000 0.889 331 L HN 0.409 nan 8.230 nan 0.000 0.432 332 K N -0.593 119.784 120.400 -0.037 0.000 3.071 332 K HA -0.203 4.118 4.320 0.002 0.000 0.265 332 K C -0.028 176.570 176.600 -0.002 0.000 1.060 332 K CA 0.440 56.715 56.287 -0.020 0.000 0.767 332 K CB -2.305 30.187 32.500 -0.013 0.000 1.241 332 K HN 0.608 nan 8.250 nan 0.000 0.486 333 C N -2.710 116.591 119.300 0.001 0.000 2.768 333 C HA 0.449 4.910 4.460 0.002 0.000 0.411 333 C C 2.181 177.176 174.990 0.009 0.000 1.793 333 C CA -0.146 58.878 59.018 0.011 0.000 1.747 333 C CB 1.201 28.954 27.740 0.021 0.000 2.128 333 C HN 0.560 nan 8.230 nan 0.000 0.472 334 E N 1.844 122.052 120.200 0.012 0.000 2.021 334 E HA 0.035 4.386 4.350 0.002 0.000 0.189 334 E C -0.215 176.394 176.600 0.015 0.000 0.980 334 E CA 0.749 57.156 56.400 0.011 0.000 0.803 334 E CB -0.236 29.471 29.700 0.012 0.000 0.766 334 E HN 0.779 nan 8.360 nan 0.000 0.449 335 N N -0.040 118.672 118.700 0.019 0.000 2.229 335 N HA 0.429 5.170 4.740 0.002 0.000 0.298 335 N C -1.286 174.243 175.510 0.032 0.000 1.114 335 N CA -0.748 52.317 53.050 0.025 0.000 0.776 335 N CB 2.907 41.410 38.487 0.025 0.000 1.501 335 N HN 0.186 nan 8.380 nan 0.000 0.474 336 V N -1.590 118.347 119.914 0.039 0.000 3.019 336 V HA 0.676 4.797 4.120 0.002 0.000 0.317 336 V C -0.369 175.763 176.094 0.062 0.000 1.094 336 V CA -0.937 61.392 62.300 0.048 0.000 1.000 336 V CB 1.990 33.837 31.823 0.040 0.000 1.060 336 V HN 0.697 nan 8.190 nan 0.000 0.443 337 R N 2.640 123.185 120.500 0.075 0.000 2.480 337 R HA 0.711 5.052 4.340 0.002 0.000 0.306 337 R C -1.226 175.143 176.300 0.115 0.000 0.958 337 R CA -0.731 55.429 56.100 0.100 0.000 0.861 337 R CB 1.834 32.189 30.300 0.092 0.000 1.171 337 R HN 0.945 nan 8.270 nan 0.000 0.445 338 M N 5.346 125.021 119.600 0.124 0.000 2.227 338 M HA 0.393 4.874 4.480 0.002 0.000 0.335 338 M C -0.801 175.579 176.300 0.134 0.000 1.053 338 M CA -0.475 54.880 55.300 0.092 0.000 0.973 338 M CB 2.199 34.825 32.600 0.043 0.000 1.623 338 M HN 0.410 nan 8.290 nan 0.000 0.434 339 M N 4.836 124.499 119.600 0.105 0.000 2.114 339 M HA 0.496 4.977 4.480 0.002 0.000 0.332 339 M C -1.339 174.975 176.300 0.022 0.000 1.014 339 M CA -0.645 54.684 55.300 0.048 0.000 0.956 339 M CB 1.159 33.801 32.600 0.070 0.000 1.551 339 M HN 0.451 nan 8.290 nan 0.000 0.427 340 L N 1.452 122.682 121.223 0.012 0.000 2.304 340 L HA 0.721 5.062 4.340 0.002 0.000 0.268 340 L C 0.757 177.637 176.870 0.016 0.000 1.010 340 L CA -0.207 54.662 54.840 0.047 0.000 0.813 340 L CB 1.753 43.855 42.059 0.072 0.000 1.315 340 L HN 0.635 nan 8.230 nan 0.000 0.445 341 T N -1.427 113.147 114.554 0.033 0.000 3.272 341 T HA 0.275 4.626 4.350 0.002 0.000 0.247 341 T C -0.822 173.887 174.700 0.015 0.000 0.990 341 T CA 0.474 62.583 62.100 0.015 0.000 1.213 341 T CB 0.525 69.402 68.868 0.014 0.000 1.124 341 T HN 0.821 nan 8.240 nan 0.000 0.401 342 D N -0.715 119.695 120.400 0.015 0.000 2.692 342 D HA 0.395 5.036 4.640 0.002 0.000 0.303 342 D C 0.373 176.663 176.300 -0.017 0.000 1.278 342 D CA -0.565 53.434 54.000 -0.003 0.000 0.852 342 D CB 0.357 41.152 40.800 -0.008 0.000 1.375 342 D HN -0.124 nan 8.370 nan 0.000 0.453 343 S N -1.056 114.619 115.700 -0.041 0.000 2.419 343 S HA -0.070 4.401 4.470 0.002 0.000 0.233 343 S C 1.665 176.211 174.600 -0.090 0.000 1.016 343 S CA 1.150 59.305 58.200 -0.075 0.000 0.974 343 S CB -0.446 62.712 63.200 -0.070 0.000 0.786 343 S HN 0.640 nan 8.310 nan 0.000 0.492 344 V N -1.499 118.382 119.914 -0.056 0.000 3.444 344 V HA 0.408 4.529 4.120 0.002 0.000 0.308 344 V C 0.132 176.209 176.094 -0.029 0.000 1.371 344 V CA -0.424 61.845 62.300 -0.052 0.000 1.141 344 V CB -0.184 31.617 31.823 -0.036 0.000 1.037 344 V HN 0.134 nan 8.190 nan 0.000 0.433 345 S N 0.449 116.142 115.700 -0.012 0.000 2.568 345 S HA 0.642 5.113 4.470 0.002 0.000 0.302 345 S C 0.284 174.931 174.600 0.079 0.000 1.082 345 S CA -0.370 57.845 58.200 0.026 0.000 1.009 345 S CB 1.883 65.100 63.200 0.029 0.000 1.069 345 S HN 0.500 nan 8.310 nan 0.000 0.500 346 S N 0.946 116.711 115.700 0.108 0.000 2.589 346 S HA 0.347 4.818 4.470 0.002 0.000 0.265 346 S C -0.117 174.614 174.600 0.218 0.000 1.342 346 S CA -0.539 57.779 58.200 0.196 0.000 1.005 346 S CB 0.786 64.069 63.200 0.139 0.000 0.909 346 S HN 0.557 nan 8.310 nan 0.000 0.555 347 V N 1.176 121.245 119.914 0.258 0.000 2.715 347 V HA 0.503 4.624 4.120 0.002 0.000 0.310 347 V C -0.689 175.443 176.094 0.063 0.000 1.054 347 V CA -0.661 61.717 62.300 0.131 0.000 0.928 347 V CB 1.863 33.687 31.823 0.001 0.000 1.007 347 V HN 0.892 nan 8.190 nan 0.000 0.437 348 Q N 4.623 124.459 119.800 0.060 0.000 2.316 348 Q HA 0.660 5.001 4.340 0.002 0.000 0.264 348 Q C -1.453 174.596 176.000 0.081 0.000 0.987 348 Q CA -0.567 55.281 55.803 0.076 0.000 0.852 348 Q CB 1.712 30.499 28.738 0.081 0.000 1.287 348 Q HN 0.783 nan 8.270 nan 0.000 0.448 349 I N 2.908 123.550 120.570 0.121 0.000 2.509 349 I HA 0.478 4.649 4.170 0.002 0.000 0.293 349 I C -0.556 175.700 176.117 0.232 0.000 1.020 349 I CA -0.620 60.761 61.300 0.135 0.000 1.088 349 I CB 2.075 40.121 38.000 0.076 0.000 1.267 349 I HN 0.668 nan 8.210 nan 0.000 0.430 350 E N 2.647 122.953 120.200 0.177 0.000 2.433 350 E HA 0.216 4.567 4.350 0.002 0.000 0.278 350 E C -1.631 175.047 176.600 0.130 0.000 0.976 350 E CA -0.972 55.535 56.400 0.179 0.000 0.793 350 E CB 2.048 31.813 29.700 0.108 0.000 1.311 350 E HN 0.464 nan 8.360 nan 0.000 0.460 351 D N 0.517 120.990 120.400 0.121 0.000 2.424 351 D HA 0.085 4.726 4.640 0.002 0.000 0.244 351 D C 0.538 176.872 176.300 0.056 0.000 1.134 351 D CA 0.285 54.332 54.000 0.079 0.000 0.881 351 D CB 1.628 42.471 40.800 0.072 0.000 1.191 351 D HN 0.556 nan 8.370 nan 0.000 0.445 352 A N 3.638 126.484 122.820 0.043 0.000 2.019 352 A HA 0.014 4.335 4.320 0.002 0.000 0.219 352 A C 1.722 179.316 177.584 0.016 0.000 1.164 352 A CA 1.655 53.710 52.037 0.029 0.000 0.644 352 A CB -0.202 18.814 19.000 0.026 0.000 0.805 352 A HN 0.606 nan 8.150 nan 0.000 0.449 353 A N -1.415 121.417 122.820 0.020 0.000 2.460 353 A HA 0.557 4.878 4.320 0.002 0.000 0.258 353 A C 0.567 178.160 177.584 0.015 0.000 1.300 353 A CA 0.655 52.699 52.037 0.013 0.000 0.913 353 A CB -0.247 18.761 19.000 0.013 0.000 1.031 353 A HN 0.589 nan 8.150 nan 0.000 0.512 354 S N -0.899 114.813 115.700 0.021 0.000 2.563 354 S HA 0.339 4.810 4.470 0.002 0.000 0.279 354 S C -0.572 174.040 174.600 0.020 0.000 1.155 354 S CA -0.424 57.788 58.200 0.019 0.000 0.928 354 S CB 1.072 64.286 63.200 0.024 0.000 1.107 354 S HN 0.355 nan 8.310 nan 0.000 0.462 355 Q N 2.205 122.010 119.800 0.007 0.000 2.188 355 Q HA 0.231 4.572 4.340 0.002 0.000 0.212 355 Q C 1.058 177.045 176.000 -0.021 0.000 0.846 355 Q CA -0.156 55.648 55.803 0.002 0.000 0.989 355 Q CB 0.465 29.207 28.738 0.007 0.000 1.114 355 Q HN 0.672 nan 8.270 nan 0.000 0.488 356 S N 0.744 116.430 115.700 -0.023 0.000 2.402 356 S HA -0.011 4.460 4.470 0.002 0.000 0.229 356 S C 0.822 175.365 174.600 -0.095 0.000 1.021 356 S CA 0.766 58.937 58.200 -0.048 0.000 0.974 356 S CB 0.176 63.359 63.200 -0.029 0.000 0.800 356 S HN 0.434 nan 8.310 nan 0.000 0.484 357 A N 0.331 123.096 122.820 -0.090 0.000 2.386 357 A HA 0.854 5.175 4.320 0.002 0.000 0.311 357 A C -0.660 176.766 177.584 -0.265 0.000 1.068 357 A CA -0.490 51.423 52.037 -0.207 0.000 0.743 357 A CB 1.510 20.438 19.000 -0.120 0.000 1.258 357 A HN 0.383 nan 8.150 nan 0.000 0.429 358 A N 0.862 123.391 122.820 -0.485 0.000 2.435 358 A HA 0.825 5.146 4.320 0.002 0.000 0.304 358 A C -1.722 175.456 177.584 -0.676 0.000 1.064 358 A CA -0.410 51.410 52.037 -0.362 0.000 0.727 358 A CB 0.983 19.896 19.000 -0.145 0.000 1.284 358 A HN 0.858 nan 8.150 nan 0.000 0.415 359 Y N 0.190 120.508 120.300 0.029 0.000 2.406 359 Y HA 0.569 5.121 4.550 0.003 0.000 0.340 359 Y C -0.238 175.675 175.900 0.023 0.000 0.975 359 Y CA -0.811 57.308 58.100 0.032 0.000 1.056 359 Y CB 2.463 40.965 38.460 0.069 0.000 1.210 359 Y HN 0.440 nan 8.280 nan 0.000 0.448 360 V N 4.066 124.061 119.914 0.134 0.000 2.604 360 V HA 0.769 4.890 4.120 0.002 0.000 0.305 360 V C -0.845 175.304 176.094 0.091 0.000 1.043 360 V CA -0.943 61.414 62.300 0.094 0.000 0.888 360 V CB 1.926 33.787 31.823 0.063 0.000 0.995 360 V HN 0.587 nan 8.190 nan 0.000 0.429 361 V N 2.168 122.148 119.914 0.111 0.000 2.686 361 V HA 0.658 4.779 4.120 0.002 0.000 0.306 361 V C -0.464 175.813 176.094 0.305 0.000 1.065 361 V CA -0.774 61.623 62.300 0.163 0.000 0.894 361 V CB 1.849 33.759 31.823 0.145 0.000 1.004 361 V HN 0.806 nan 8.190 nan 0.000 0.424 362 M N 6.292 126.057 119.600 0.275 0.000 2.240 362 M HA 0.430 4.911 4.480 0.002 0.000 0.333 362 M C -2.091 174.372 176.300 0.272 0.000 1.110 362 M CA -1.249 54.200 55.300 0.248 0.000 1.173 362 M CB 1.542 34.252 32.600 0.183 0.000 1.458 362 M HN 0.625 nan 8.290 nan 0.000 0.458 363 P HA 0.310 nan 4.420 nan 0.000 0.278 363 P C -1.372 175.818 177.300 -0.183 0.000 1.266 363 P CA -0.364 62.515 63.100 -0.368 0.000 0.807 363 P CB 0.956 32.393 31.700 -0.439 0.000 1.094 364 M N 0.060 119.504 119.600 -0.259 0.000 2.528 364 M HA 0.393 4.874 4.480 0.002 0.000 0.321 364 M C 0.630 176.837 176.300 -0.155 0.000 1.153 364 M CA -0.897 54.316 55.300 -0.144 0.000 0.951 364 M CB 2.353 34.886 32.600 -0.112 0.000 1.705 364 M HN 0.265 nan 8.290 nan 0.000 0.451 365 R N 1.770 122.194 120.500 -0.126 0.000 2.537 365 R HA 0.278 4.619 4.340 0.002 0.000 0.280 365 R C -0.588 175.642 176.300 -0.117 0.000 1.058 365 R CA -0.412 55.619 56.100 -0.115 0.000 1.057 365 R CB 0.604 30.842 30.300 -0.104 0.000 0.973 365 R HN 0.605 nan 8.270 nan 0.000 0.438 366 L N 0.000 121.167 121.223 -0.094 0.000 2.949 366 L HA 0.000 4.341 4.340 0.002 0.000 0.249 366 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 366 L CB 0.000 42.028 42.059 -0.052 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502