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 2ftw_1_A DATA FIRST_RESID 7 DATA SEQUENCE TGTILIKNGT VVNDDRYFKS DVLVENGIIK EISKNIEPKE GIKVVDATDK DATA SEQUENCE LLLPGGIDTH THFQLPFMGT VSVDDFDIGT QAAVAGGTTF IIDFVIPTRG DATA SEQUENCE QSLLEAYDQW KKWADEKVNC DYSLHVAITW WSEQVSREME ILVKERGVNS DATA SEQUENCE FXCFMAYKNS FMVTDQEMYH IFKRCKELGA IAQVHAENGD MVFEGQKKML DATA SEQUENCE EMGITGPEGH ELSRPEALEA EATNRAIVIA DSVCTPVYIV HVQSIGAADV DATA SEQUENCE ICKHRKEGVR VYGEPIAAGL GVDGSHMWNH DWRHAAAFVM GPPIRPDPRT DATA SEQUENCE KGVLMDYLAR GDLDCVGTDN CTFCADQKAM GKDDFTKIPN GVNGVEDRMS DATA SEQUENCE IVWENGVNTG KLTWCQFVRA TSSERARIFN IYPRKGRIDV GCDGDIVIWD DATA SEQUENCE PNQSKTISKD THHHAVDFNI FEGIKVTGIA VTTIVAGNIV WSDNKLSCVK DATA SEQUENCE GSGRFVPRPP FGPVFDGIEQ RDKVRNELLR KVDR 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.706 174.700 0.010 0.000 1.109 7 T CA 0.000 62.105 62.100 0.008 0.000 1.349 7 T CB 0.000 68.872 68.868 0.006 0.000 0.612 8 G N 1.558 110.365 108.800 0.012 0.000 2.198 8 G HA2 -0.165 3.804 3.960 0.015 0.000 0.260 8 G HA3 -0.165 3.804 3.960 0.015 0.000 0.260 8 G C -0.016 174.892 174.900 0.012 0.000 1.025 8 G CA 0.516 45.624 45.100 0.014 0.000 0.769 8 G HN 1.044 nan 8.290 nan 0.000 0.507 9 T N 0.088 114.648 114.554 0.010 0.000 2.812 9 T HA 0.705 5.064 4.350 0.015 0.000 0.282 9 T C -0.296 174.408 174.700 0.008 0.000 0.990 9 T CA -0.225 61.880 62.100 0.009 0.000 0.960 9 T CB 2.087 70.959 68.868 0.007 0.000 0.948 9 T HN 0.660 nan 8.240 nan 0.000 0.438 10 I N 3.079 123.654 120.570 0.009 0.000 2.908 10 I HA 0.599 4.778 4.170 0.015 0.000 0.300 10 I C -2.133 173.989 176.117 0.008 0.000 1.385 10 I CA -1.204 60.101 61.300 0.007 0.000 1.004 10 I CB 2.175 40.180 38.000 0.008 0.000 1.309 10 I HN 0.472 nan 8.210 nan 0.000 0.449 11 L N 7.742 128.969 121.223 0.006 0.000 2.343 11 L HA 0.640 4.989 4.340 0.015 0.000 0.278 11 L C -1.470 175.404 176.870 0.005 0.000 0.996 11 L CA -0.109 54.736 54.840 0.008 0.000 0.831 11 L CB 1.366 43.430 42.059 0.008 0.000 1.232 11 L HN 0.366 nan 8.230 nan 0.000 0.413 12 I N 5.236 125.809 120.570 0.006 0.000 2.339 12 I HA 0.423 4.602 4.170 0.015 0.000 0.290 12 I C -0.101 176.017 176.117 0.003 0.000 0.994 12 I CA -0.424 60.877 61.300 0.002 0.000 1.191 12 I CB 0.984 38.984 38.000 0.001 0.000 1.343 12 I HN 0.519 nan 8.210 nan 0.000 0.458 13 K N 5.091 125.492 120.400 0.002 0.000 2.267 13 K HA 0.497 4.826 4.320 0.015 0.000 0.246 13 K C -0.027 176.575 176.600 0.005 0.000 0.954 13 K CA -0.785 55.506 56.287 0.006 0.000 0.824 13 K CB 1.426 33.931 32.500 0.008 0.000 1.167 13 K HN 0.589 nan 8.250 nan 0.000 0.431 14 N N -1.000 117.707 118.700 0.012 0.000 2.965 14 N HA -0.134 4.615 4.740 0.015 0.000 0.232 14 N C 0.020 175.538 175.510 0.014 0.000 0.913 14 N CA 1.306 54.366 53.050 0.016 0.000 0.981 14 N CB -1.255 37.240 38.487 0.013 0.000 1.077 14 N HN 0.820 nan 8.380 nan 0.000 0.589 15 G N -0.618 108.183 108.800 0.001 0.000 2.531 15 G HA2 0.627 4.596 3.960 0.015 0.000 0.313 15 G HA3 0.627 4.596 3.960 0.015 0.000 0.313 15 G C -0.511 174.379 174.900 -0.017 0.000 1.238 15 G CA -0.008 45.086 45.100 -0.010 0.000 0.994 15 G HN 0.026 nan 8.290 nan 0.000 0.493 16 T N 0.444 114.983 114.554 -0.025 0.000 2.758 16 T HA 0.408 4.767 4.350 0.015 0.000 0.285 16 T C 0.160 174.781 174.700 -0.131 0.000 0.981 16 T CA -0.254 61.829 62.100 -0.029 0.000 0.965 16 T CB 1.508 70.442 68.868 0.110 0.000 0.927 16 T HN 0.292 nan 8.240 nan 0.000 0.448 17 V N 4.317 124.027 119.914 -0.340 0.000 2.637 17 V HA 0.259 4.388 4.120 0.015 0.000 0.296 17 V C 0.098 176.066 176.094 -0.209 0.000 1.046 17 V CA -0.267 61.788 62.300 -0.409 0.000 1.066 17 V CB 1.122 32.436 31.823 -0.848 0.000 0.968 17 V HN 0.677 nan 8.190 nan 0.000 0.483 18 V N 5.435 125.330 119.914 -0.031 0.000 2.409 18 V HA 0.471 4.600 4.120 0.015 0.000 0.290 18 V C -0.067 176.118 176.094 0.153 0.000 1.017 18 V CA -0.764 61.622 62.300 0.143 0.000 0.841 18 V CB 1.438 33.334 31.823 0.122 0.000 1.003 18 V HN 0.860 nan 8.190 nan 0.000 0.426 19 N N 2.567 121.402 118.700 0.225 0.000 2.563 19 N HA 0.312 5.061 4.740 0.015 0.000 0.288 19 N C 0.701 176.341 175.510 0.217 0.000 1.246 19 N CA -0.440 52.736 53.050 0.210 0.000 0.946 19 N CB 1.524 40.154 38.487 0.238 0.000 1.213 19 N HN 0.791 nan 8.380 nan 0.000 0.578 20 D N -0.961 119.547 120.400 0.181 0.000 2.349 20 D HA -0.098 4.551 4.640 0.015 0.000 0.224 20 D C 0.386 176.775 176.300 0.148 0.000 1.029 20 D CA 0.564 54.656 54.000 0.152 0.000 0.879 20 D CB 0.038 40.897 40.800 0.098 0.000 0.906 20 D HN 0.557 nan 8.370 nan 0.000 0.528 21 D N 0.408 120.906 120.400 0.163 0.000 2.380 21 D HA -0.016 4.633 4.640 0.015 0.000 0.212 21 D C 1.028 177.412 176.300 0.139 0.000 1.021 21 D CA 0.214 54.292 54.000 0.131 0.000 0.884 21 D CB 0.409 41.275 40.800 0.109 0.000 1.001 21 D HN 0.411 nan 8.370 nan 0.000 0.506 22 R N -1.021 119.600 120.500 0.201 0.000 2.741 22 R HA 0.430 4.779 4.340 0.015 0.000 0.276 22 R C -1.741 174.780 176.300 0.368 0.000 1.028 22 R CA -1.058 55.160 56.100 0.196 0.000 0.865 22 R CB 0.471 30.831 30.300 0.101 0.000 1.268 22 R HN 0.054 nan 8.270 nan 0.000 0.475 23 Y N -0.131 120.357 120.300 0.314 0.000 2.524 23 Y HA 0.886 5.445 4.550 0.015 0.000 0.344 23 Y C -1.118 175.032 175.900 0.416 0.000 1.012 23 Y CA -1.399 56.898 58.100 0.328 0.000 1.068 23 Y CB 1.709 40.368 38.460 0.333 0.000 1.249 23 Y HN 0.709 nan 8.280 nan 0.000 0.468 24 F N -0.585 119.519 119.950 0.257 0.000 2.703 24 F HA 0.523 5.059 4.527 0.015 0.000 0.308 24 F C -1.447 174.456 175.800 0.172 0.000 1.126 24 F CA -1.841 56.246 58.000 0.145 0.000 0.959 24 F CB 1.331 40.366 39.000 0.057 0.000 1.297 24 F HN 0.348 nan 8.300 nan 0.000 0.441 25 K N 2.475 123.016 120.400 0.234 0.000 2.412 25 K HA 0.525 4.854 4.320 0.015 0.000 0.284 25 K C -0.731 175.964 176.600 0.158 0.000 1.046 25 K CA 0.201 56.567 56.287 0.132 0.000 0.999 25 K CB 0.999 33.588 32.500 0.148 0.000 0.941 25 K HN 0.784 nan 8.250 nan 0.000 0.474 26 S N 1.963 117.680 115.700 0.028 0.000 2.543 26 S HA 0.174 4.653 4.470 0.015 0.000 0.274 26 S C -1.578 173.038 174.600 0.028 0.000 1.149 26 S CA -0.965 57.289 58.200 0.091 0.000 0.866 26 S CB 1.536 64.881 63.200 0.241 0.000 1.111 26 S HN 0.443 nan 8.310 nan 0.000 0.457 27 D N 1.407 121.839 120.400 0.053 0.000 2.264 27 D HA 0.504 5.153 4.640 0.015 0.000 0.249 27 D C -0.555 175.769 176.300 0.039 0.000 1.070 27 D CA -0.087 53.932 54.000 0.033 0.000 0.912 27 D CB 1.254 42.074 40.800 0.034 0.000 1.193 27 D HN 0.173 nan 8.370 nan 0.000 0.427 28 V N 2.259 122.187 119.914 0.023 0.000 2.487 28 V HA 0.289 4.418 4.120 0.015 0.000 0.298 28 V C -0.471 175.636 176.094 0.022 0.000 1.028 28 V CA -0.914 61.402 62.300 0.027 0.000 0.860 28 V CB 1.795 33.627 31.823 0.016 0.000 0.991 28 V HN 0.314 nan 8.190 nan 0.000 0.427 29 L N 6.630 127.868 121.223 0.025 0.000 2.307 29 L HA 0.770 5.119 4.340 0.015 0.000 0.284 29 L C -0.598 176.282 176.870 0.017 0.000 1.023 29 L CA 0.086 54.937 54.840 0.019 0.000 0.810 29 L CB 1.751 43.821 42.059 0.019 0.000 1.231 29 L HN 0.441 nan 8.230 nan 0.000 0.423 30 V N 4.687 124.610 119.914 0.014 0.000 2.495 30 V HA 0.576 4.705 4.120 0.015 0.000 0.298 30 V C -0.438 175.662 176.094 0.011 0.000 1.031 30 V CA -0.606 61.701 62.300 0.012 0.000 0.871 30 V CB 1.561 33.392 31.823 0.013 0.000 0.988 30 V HN 0.854 nan 8.190 nan 0.000 0.432 31 E N 3.568 123.774 120.200 0.009 0.000 2.293 31 E HA 0.396 4.755 4.350 0.015 0.000 0.270 31 E C -0.131 176.473 176.600 0.007 0.000 0.879 31 E CA -0.689 55.716 56.400 0.008 0.000 0.756 31 E CB 1.081 30.786 29.700 0.007 0.000 1.208 31 E HN 0.649 nan 8.360 nan 0.000 0.428 32 N N 3.010 121.715 118.700 0.008 0.000 2.701 32 N HA -0.272 4.477 4.740 0.015 0.000 0.252 32 N C 0.623 176.139 175.510 0.009 0.000 1.002 32 N CA 1.571 54.626 53.050 0.008 0.000 0.758 32 N CB -1.273 37.218 38.487 0.007 0.000 0.937 32 N HN 0.960 nan 8.380 nan 0.000 0.538 33 G N -1.935 106.871 108.800 0.011 0.000 2.179 33 G HA2 -0.298 3.671 3.960 0.015 0.000 0.260 33 G HA3 -0.298 3.671 3.960 0.015 0.000 0.260 33 G C -0.016 174.889 174.900 0.007 0.000 0.977 33 G CA 0.500 45.608 45.100 0.012 0.000 0.641 33 G HN 0.440 nan 8.290 nan 0.000 0.533 34 I N 0.898 121.471 120.570 0.004 0.000 2.603 34 I HA 0.467 4.646 4.170 0.015 0.000 0.300 34 I C 0.897 177.015 176.117 0.001 0.000 1.017 34 I CA -1.704 59.595 61.300 -0.002 0.000 1.098 34 I CB 1.612 39.609 38.000 -0.006 0.000 1.279 34 I HN -0.030 nan 8.210 nan 0.000 0.437 35 I N 4.879 125.449 120.570 -0.001 0.000 2.587 35 I HA -0.017 4.162 4.170 0.015 0.000 0.284 35 I C 1.416 177.537 176.117 0.007 0.000 1.134 35 I CA 0.421 61.725 61.300 0.007 0.000 1.410 35 I CB 0.537 38.542 38.000 0.009 0.000 1.392 35 I HN 0.665 nan 8.210 nan 0.000 0.545 36 K N 4.906 125.313 120.400 0.012 0.000 2.262 36 K HA 0.206 4.535 4.320 0.015 0.000 0.200 36 K C 0.417 177.027 176.600 0.017 0.000 1.058 36 K CA 0.491 56.785 56.287 0.011 0.000 0.974 36 K CB 0.569 33.076 32.500 0.011 0.000 0.910 36 K HN 0.645 nan 8.250 nan 0.000 0.484 37 E N 0.390 120.605 120.200 0.024 0.000 2.321 37 E HA 0.332 4.691 4.350 0.015 0.000 0.278 37 E C -1.635 174.995 176.600 0.049 0.000 0.902 37 E CA -0.563 55.856 56.400 0.033 0.000 0.758 37 E CB 1.798 31.515 29.700 0.028 0.000 1.213 37 E HN 0.092 nan 8.360 nan 0.000 0.426 38 I N 2.332 122.943 120.570 0.068 0.000 2.466 38 I HA 0.431 4.610 4.170 0.015 0.000 0.289 38 I C -0.482 175.703 176.117 0.113 0.000 1.026 38 I CA -0.420 60.946 61.300 0.109 0.000 1.078 38 I CB 2.025 40.125 38.000 0.168 0.000 1.249 38 I HN 0.286 nan 8.210 nan 0.000 0.429 39 S N 3.872 119.641 115.700 0.116 0.000 2.552 39 S HA 0.253 4.731 4.470 0.015 0.000 0.272 39 S C 0.367 175.028 174.600 0.102 0.000 1.150 39 S CA -0.699 57.560 58.200 0.099 0.000 0.849 39 S CB 1.982 65.219 63.200 0.061 0.000 1.113 39 S HN 0.715 nan 8.310 nan 0.000 0.458 40 K N 1.185 121.644 120.400 0.099 0.000 2.152 40 K HA -0.001 4.328 4.320 0.015 0.000 0.206 40 K C 0.167 176.807 176.600 0.066 0.000 1.048 40 K CA 0.925 57.268 56.287 0.094 0.000 0.933 40 K CB 0.030 32.580 32.500 0.084 0.000 0.721 40 K HN 0.457 nan 8.250 nan 0.000 0.447 41 N N 0.317 119.048 118.700 0.053 0.000 2.558 41 N HA 0.200 4.949 4.740 0.015 0.000 0.285 41 N C -1.718 173.812 175.510 0.034 0.000 1.112 41 N CA -0.319 52.755 53.050 0.040 0.000 0.857 41 N CB 1.019 39.526 38.487 0.034 0.000 1.376 41 N HN -0.057 nan 8.380 nan 0.000 0.526 42 I N 1.832 122.420 120.570 0.031 0.000 2.339 42 I HA 0.247 4.426 4.170 0.015 0.000 0.290 42 I C 0.953 177.081 176.117 0.019 0.000 0.994 42 I CA -0.730 60.585 61.300 0.025 0.000 1.191 42 I CB 1.461 39.477 38.000 0.027 0.000 1.343 42 I HN 0.436 nan 8.210 nan 0.000 0.458 43 E N 8.517 128.727 120.200 0.017 0.000 2.344 43 E HA 0.285 4.644 4.350 0.015 0.000 0.270 43 E C -2.457 174.150 176.600 0.011 0.000 1.021 43 E CA -1.583 54.825 56.400 0.013 0.000 0.887 43 E CB -0.340 29.367 29.700 0.012 0.000 0.997 43 E HN 0.410 nan 8.360 nan 0.000 0.429 44 P HA 0.375 nan 4.420 nan 0.000 0.276 44 P C 0.062 177.365 177.300 0.006 0.000 1.243 44 P CA -0.079 63.025 63.100 0.007 0.000 0.768 44 P CB 0.822 32.525 31.700 0.005 0.000 0.856 45 K N 1.814 122.218 120.400 0.006 0.000 2.525 45 K HA 0.490 4.819 4.320 0.015 0.000 0.262 45 K C 0.767 177.369 176.600 0.004 0.000 1.049 45 K CA 0.326 56.616 56.287 0.005 0.000 0.961 45 K CB -1.061 31.442 32.500 0.005 0.000 1.258 45 K HN 0.678 nan 8.250 nan 0.000 0.501 46 E N -0.445 119.757 120.200 0.003 0.000 2.316 46 E HA 0.436 4.795 4.350 0.015 0.000 0.275 46 E C 1.326 177.927 176.600 0.002 0.000 1.029 46 E CA 0.270 56.672 56.400 0.002 0.000 0.871 46 E CB -0.335 29.366 29.700 0.002 0.000 1.022 46 E HN 2.187 nan 8.360 nan 0.000 0.418 47 G N 1.765 110.566 108.800 0.000 0.000 2.212 47 G HA2 -0.268 3.701 3.960 0.015 0.000 0.266 47 G HA3 -0.268 3.701 3.960 0.015 0.000 0.266 47 G C 0.610 175.510 174.900 -0.000 0.000 0.978 47 G CA 0.291 45.391 45.100 -0.000 0.000 0.632 47 G HN 1.145 nan 8.290 nan 0.000 0.537 48 I N 1.195 121.765 120.570 0.001 0.000 2.529 48 I HA 0.393 4.572 4.170 0.015 0.000 0.284 48 I C 0.901 177.017 176.117 -0.000 0.000 1.082 48 I CA -0.627 60.673 61.300 0.001 0.000 1.406 48 I CB 0.521 38.523 38.000 0.003 0.000 1.405 48 I HN 0.121 nan 8.210 nan 0.000 0.548 49 K N 6.079 126.479 120.400 -0.001 0.000 2.412 49 K HA 0.271 4.600 4.320 0.015 0.000 0.281 49 K C -1.326 175.272 176.600 -0.003 0.000 1.027 49 K CA -0.244 56.041 56.287 -0.004 0.000 0.989 49 K CB 0.636 33.134 32.500 -0.004 0.000 0.935 49 K HN 0.478 nan 8.250 nan 0.000 0.475 50 V N 5.063 124.974 119.914 -0.006 0.000 2.540 50 V HA 0.320 4.449 4.120 0.015 0.000 0.302 50 V C -0.568 175.520 176.094 -0.010 0.000 1.035 50 V CA -0.976 61.320 62.300 -0.005 0.000 0.873 50 V CB 1.800 33.621 31.823 -0.004 0.000 0.992 50 V HN 0.507 nan 8.190 nan 0.000 0.428 51 V N 2.855 122.763 119.914 -0.010 0.000 2.513 51 V HA 0.454 4.583 4.120 0.015 0.000 0.299 51 V C -0.452 175.634 176.094 -0.014 0.000 1.035 51 V CA -0.588 61.703 62.300 -0.016 0.000 0.889 51 V CB 2.029 33.844 31.823 -0.014 0.000 0.988 51 V HN 0.872 nan 8.190 nan 0.000 0.440 52 D N 3.160 123.548 120.400 -0.020 0.000 2.249 52 D HA 0.586 5.235 4.640 0.015 0.000 0.246 52 D C 0.208 176.494 176.300 -0.022 0.000 1.114 52 D CA -0.233 53.756 54.000 -0.018 0.000 0.854 52 D CB 1.971 42.759 40.800 -0.020 0.000 1.132 52 D HN 0.666 nan 8.370 nan 0.000 0.461 53 A N 3.112 125.921 122.820 -0.017 0.000 2.701 53 A HA 0.225 4.554 4.320 0.015 0.000 0.297 53 A C 0.549 178.123 177.584 -0.016 0.000 1.197 53 A CA -0.449 51.575 52.037 -0.023 0.000 0.963 53 A CB -0.203 18.784 19.000 -0.022 0.000 1.175 53 A HN 0.460 nan 8.150 nan 0.000 0.531 54 T N 1.862 116.409 114.554 -0.010 0.000 2.905 54 T HA 0.150 4.509 4.350 0.015 0.000 0.299 54 T C 0.312 175.011 174.700 -0.003 0.000 1.024 54 T CA 1.245 63.345 62.100 0.000 0.000 1.151 54 T CB 0.061 68.929 68.868 0.001 0.000 0.987 54 T HN 0.521 nan 8.240 nan 0.000 0.535 55 D N 0.734 121.143 120.400 0.015 0.000 3.070 55 D HA -0.143 4.506 4.640 0.015 0.000 0.220 55 D C 0.250 176.547 176.300 -0.005 0.000 1.176 55 D CA 1.455 55.468 54.000 0.022 0.000 0.924 55 D CB -0.579 40.232 40.800 0.018 0.000 1.124 55 D HN 0.599 nan 8.370 nan 0.000 0.411 56 K N -0.685 119.698 120.400 -0.028 0.000 2.306 56 K HA 0.748 5.077 4.320 0.015 0.000 0.236 56 K C 0.037 176.587 176.600 -0.084 0.000 1.013 56 K CA -0.830 55.417 56.287 -0.067 0.000 0.857 56 K CB 1.707 34.166 32.500 -0.068 0.000 1.214 56 K HN -0.119 nan 8.250 nan 0.000 0.449 57 L N 1.855 123.009 121.223 -0.115 0.000 2.334 57 L HA 0.450 4.799 4.340 0.015 0.000 0.276 57 L C -1.065 175.765 176.870 -0.065 0.000 1.014 57 L CA -1.182 53.566 54.840 -0.153 0.000 0.815 57 L CB 1.025 42.883 42.059 -0.334 0.000 1.268 57 L HN 0.241 nan 8.230 nan 0.000 0.428 58 L N 4.437 125.618 121.223 -0.069 0.000 2.264 58 L HA 0.477 4.826 4.340 0.015 0.000 0.287 58 L C -0.233 176.623 176.870 -0.024 0.000 1.039 58 L CA 0.247 55.067 54.840 -0.033 0.000 0.829 58 L CB 0.961 42.991 42.059 -0.049 0.000 1.211 58 L HN 0.357 nan 8.230 nan 0.000 0.427 59 L N 4.436 125.667 121.223 0.014 0.000 2.331 59 L HA 0.644 4.993 4.340 0.015 0.000 0.275 59 L C -2.211 174.686 176.870 0.046 0.000 1.022 59 L CA -2.196 52.662 54.840 0.029 0.000 0.812 59 L CB 1.371 43.446 42.059 0.026 0.000 1.257 59 L HN 0.306 nan 8.230 nan 0.000 0.435 60 P HA 0.032 nan 4.420 nan 0.000 0.268 60 P C 0.104 177.434 177.300 0.050 0.000 1.205 60 P CA -0.128 62.998 63.100 0.045 0.000 0.771 60 P CB 0.475 32.204 31.700 0.048 0.000 0.858 61 G N 2.824 111.658 108.800 0.057 0.000 2.287 61 G HA2 0.266 4.235 3.960 0.015 0.000 0.235 61 G HA3 0.266 4.235 3.960 0.015 0.000 0.235 61 G C 0.661 175.603 174.900 0.070 0.000 1.258 61 G CA 0.003 45.149 45.100 0.077 0.000 0.884 61 G HN 0.639 nan 8.290 nan 0.000 0.518 62 G N 0.127 108.974 108.800 0.079 0.000 2.491 62 G HA2 0.389 4.358 3.960 0.015 0.000 0.238 62 G HA3 0.389 4.358 3.960 0.015 0.000 0.238 62 G C -0.075 174.893 174.900 0.113 0.000 1.277 62 G CA -0.466 44.671 45.100 0.062 0.000 0.851 62 G HN 0.671 nan 8.290 nan 0.000 0.573 63 I N 1.544 122.179 120.570 0.108 0.000 2.410 63 I HA 0.170 4.349 4.170 0.015 0.000 0.286 63 I C -0.864 175.348 176.117 0.158 0.000 1.009 63 I CA -0.696 60.716 61.300 0.187 0.000 1.111 63 I CB 2.027 40.125 38.000 0.164 0.000 1.262 63 I HN 0.335 nan 8.210 nan 0.000 0.443 64 D N 4.982 125.479 120.400 0.161 0.000 2.373 64 D HA 0.132 4.781 4.640 0.015 0.000 0.227 64 D C 1.103 177.465 176.300 0.103 0.000 1.091 64 D CA -0.241 53.838 54.000 0.131 0.000 0.840 64 D CB 1.557 42.429 40.800 0.120 0.000 1.060 64 D HN 0.646 nan 8.370 nan 0.000 0.502 65 T N 0.553 115.189 114.554 0.137 0.000 3.113 65 T HA -0.017 4.341 4.350 0.015 0.000 0.256 65 T C 0.764 175.531 174.700 0.112 0.000 1.131 65 T CA 0.510 62.646 62.100 0.060 0.000 1.074 65 T CB -0.170 68.820 68.868 0.203 0.000 0.944 65 T HN 0.527 nan 8.240 nan 0.000 0.516 66 H N 1.277 120.400 119.070 0.090 0.000 2.808 66 H HA 0.415 4.980 4.556 0.014 0.000 0.268 66 H C -0.853 174.467 175.328 -0.012 0.000 1.306 66 H CA -0.587 55.564 56.048 0.171 0.000 1.565 66 H CB 0.608 30.526 29.762 0.259 0.000 1.632 66 H HN 0.337 nan 8.280 nan 0.000 0.525 67 T N 0.529 115.090 114.554 0.012 0.000 2.908 67 T HA 0.319 4.678 4.350 0.015 0.000 0.290 67 T C -0.318 174.099 174.700 -0.471 0.000 1.034 67 T CA -0.919 60.964 62.100 -0.362 0.000 1.010 67 T CB 1.946 70.358 68.868 -0.759 0.000 1.068 67 T HN 0.579 nan 8.240 nan 0.000 0.481 68 H N 1.307 120.239 119.070 -0.231 0.000 2.616 68 H HA 0.281 4.846 4.556 0.015 0.000 0.229 68 H C -0.955 174.282 175.328 -0.151 0.000 1.418 68 H CA -0.680 55.364 56.048 -0.007 0.000 1.248 68 H CB -0.282 29.558 29.762 0.130 0.000 1.822 68 H HN 0.471 nan 8.280 nan 0.000 0.522 69 F N 1.263 121.138 119.950 -0.125 0.000 2.538 69 F HA 0.046 4.582 4.527 0.016 0.000 0.371 69 F C 1.705 177.211 175.800 -0.490 0.000 1.087 69 F CA 0.386 58.110 58.000 -0.461 0.000 1.250 69 F CB 0.555 38.979 39.000 -0.961 0.000 1.110 69 F HN 0.385 nan 8.300 nan 0.000 0.570 70 Q N 0.814 120.488 119.800 -0.211 0.000 2.503 70 Q HA -0.236 4.113 4.340 0.015 0.000 0.267 70 Q C -0.660 175.177 176.000 -0.272 0.000 1.030 70 Q CA -0.113 55.486 55.803 -0.340 0.000 1.041 70 Q CB -0.922 27.497 28.738 -0.532 0.000 1.406 70 Q HN 0.605 nan 8.270 nan 0.000 0.524 71 L N 1.705 122.908 121.223 -0.032 0.000 2.477 71 L HA 0.297 4.646 4.340 0.015 0.000 0.272 71 L C -2.170 174.813 176.870 0.189 0.000 1.157 71 L CA -1.009 53.951 54.840 0.201 0.000 0.889 71 L CB 0.604 42.842 42.059 0.298 0.000 1.158 71 L HN -0.103 nan 8.230 nan 0.000 0.473 72 P HA 0.171 nan 4.420 nan 0.000 0.271 72 P C -1.520 176.012 177.300 0.387 0.000 1.220 72 P CA 0.257 63.497 63.100 0.233 0.000 0.768 72 P CB 0.292 32.132 31.700 0.234 0.000 0.848 73 F N 3.808 123.868 119.950 0.182 0.000 2.730 73 F HA 0.465 5.000 4.527 0.015 0.000 0.335 73 F C 0.442 176.287 175.800 0.075 0.000 1.212 73 F CA -0.569 57.520 58.000 0.149 0.000 1.016 73 F CB 0.882 40.002 39.000 0.199 0.000 1.290 73 F HN 0.461 nan 8.300 nan 0.000 0.495 74 M N 3.765 123.006 119.600 -0.598 0.000 2.249 74 M HA 0.126 4.615 4.480 0.015 0.000 0.198 74 M C 1.733 177.918 176.300 -0.192 0.000 0.394 74 M CA 1.939 56.923 55.300 -0.527 0.000 0.427 74 M CB -2.716 29.367 32.600 -0.862 0.000 1.307 74 M HN 2.600 nan 8.290 nan 0.000 0.924 75 G N -2.444 106.308 108.800 -0.079 0.000 2.347 75 G HA2 0.024 3.993 3.960 0.015 0.000 0.247 75 G HA3 0.024 3.993 3.960 0.015 0.000 0.247 75 G C 1.175 176.097 174.900 0.037 0.000 1.037 75 G CA 1.536 46.629 45.100 -0.011 0.000 0.622 75 G HN 2.680 nan 8.290 nan 0.000 0.521 76 T N -0.768 113.834 114.554 0.081 0.000 2.849 76 T HA 0.660 5.019 4.350 0.015 0.000 0.276 76 T C -0.215 174.608 174.700 0.206 0.000 0.971 76 T CA 0.328 62.515 62.100 0.144 0.000 0.949 76 T CB 1.609 70.595 68.868 0.196 0.000 1.093 76 T HN 0.985 nan 8.240 nan 0.000 0.545 77 V N 1.084 121.107 119.914 0.181 0.000 2.925 77 V HA 0.586 4.714 4.120 0.015 0.000 0.311 77 V C 0.016 176.128 176.094 0.030 0.000 1.104 77 V CA -0.746 61.612 62.300 0.097 0.000 0.954 77 V CB 2.322 34.099 31.823 -0.076 0.000 1.022 77 V HN 1.038 nan 8.190 nan 0.000 0.427 78 S N 2.880 118.482 115.700 -0.164 0.000 2.558 78 S HA 0.076 4.554 4.470 0.015 0.000 0.293 78 S C 1.018 175.433 174.600 -0.309 0.000 1.292 78 S CA 0.217 58.092 58.200 -0.540 0.000 1.063 78 S CB 1.119 64.041 63.200 -0.464 0.000 0.831 78 S HN 0.616 nan 8.310 nan 0.000 0.499 79 V N 3.581 123.316 119.914 -0.298 0.000 2.453 79 V HA -0.028 4.101 4.120 0.015 0.000 0.247 79 V C 0.643 176.653 176.094 -0.139 0.000 1.048 79 V CA 1.192 63.401 62.300 -0.152 0.000 1.049 79 V CB -0.525 31.246 31.823 -0.085 0.000 0.672 79 V HN 0.735 nan 8.190 nan 0.000 0.457 80 D N 1.754 122.078 120.400 -0.125 0.000 2.346 80 D HA 0.248 4.897 4.640 0.015 0.000 0.260 80 D C -0.072 176.135 176.300 -0.154 0.000 1.252 80 D CA 0.067 54.003 54.000 -0.106 0.000 0.895 80 D CB 0.733 41.557 40.800 0.040 0.000 1.097 80 D HN 0.561 nan 8.370 nan 0.000 0.489 81 D N 0.318 120.552 120.400 -0.277 0.000 2.564 81 D HA 0.129 4.778 4.640 0.015 0.000 0.273 81 D C 0.733 176.700 176.300 -0.554 0.000 1.192 81 D CA -0.661 53.125 54.000 -0.356 0.000 1.080 81 D CB 0.030 40.674 40.800 -0.260 0.000 1.160 81 D HN 0.071 nan 8.370 nan 0.000 0.607 82 F N -0.455 119.308 119.950 -0.311 0.000 2.407 82 F HA 0.001 4.536 4.527 0.014 0.000 0.299 82 F C 1.953 177.514 175.800 -0.399 0.000 1.097 82 F CA 0.884 58.655 58.000 -0.382 0.000 1.422 82 F CB -0.203 38.663 39.000 -0.223 0.000 1.067 82 F HN 0.351 nan 8.300 nan 0.000 0.539 83 D N 0.485 120.794 120.400 -0.153 0.000 2.255 83 D HA -0.090 4.559 4.640 0.015 0.000 0.224 83 D C 2.106 178.273 176.300 -0.222 0.000 0.997 83 D CA 1.382 55.293 54.000 -0.149 0.000 0.906 83 D CB -0.256 40.487 40.800 -0.095 0.000 1.047 83 D HN 0.190 nan 8.370 nan 0.000 0.458 84 I N -0.327 120.104 120.570 -0.231 0.000 2.493 84 I HA 0.166 4.345 4.170 0.015 0.000 0.254 84 I C 2.282 178.180 176.117 -0.365 0.000 1.160 84 I CA 1.375 62.536 61.300 -0.232 0.000 1.445 84 I CB -1.282 36.618 38.000 -0.167 0.000 1.086 84 I HN 0.034 nan 8.210 nan 0.000 0.433 85 G N 1.331 109.781 108.800 -0.583 0.000 2.421 85 G HA2 -0.250 3.719 3.960 0.015 0.000 0.216 85 G HA3 -0.250 3.719 3.960 0.015 0.000 0.216 85 G C 1.682 176.147 174.900 -0.725 0.000 1.171 85 G CA 1.696 46.227 45.100 -0.947 0.000 0.775 85 G HN 0.551 nan 8.290 nan 0.000 0.543 86 T N -1.254 112.955 114.554 -0.576 0.000 2.995 86 T HA 0.001 4.360 4.350 0.015 0.000 0.269 86 T C 2.190 176.774 174.700 -0.194 0.000 1.091 86 T CA 1.299 63.235 62.100 -0.273 0.000 1.128 86 T CB -0.156 68.615 68.868 -0.162 0.000 0.891 86 T HN 0.396 nan 8.240 nan 0.000 0.492 87 Q N 1.105 120.776 119.800 -0.214 0.000 2.046 87 Q HA 0.067 4.416 4.340 0.015 0.000 0.200 87 Q C 2.846 178.701 176.000 -0.242 0.000 0.975 87 Q CA 1.463 57.162 55.803 -0.173 0.000 0.836 87 Q CB -0.452 28.209 28.738 -0.129 0.000 0.896 87 Q HN 0.696 nan 8.270 nan 0.000 0.428 88 A N 1.180 123.833 122.820 -0.278 0.000 1.902 88 A HA -0.158 4.171 4.320 0.015 0.000 0.217 88 A C 2.298 179.729 177.584 -0.256 0.000 1.181 88 A CA 1.609 53.458 52.037 -0.314 0.000 0.623 88 A CB -0.847 17.832 19.000 -0.536 0.000 0.818 88 A HN 0.408 nan 8.150 nan 0.000 0.443 89 A N 0.052 122.766 122.820 -0.177 0.000 1.851 89 A HA -0.102 4.227 4.320 0.015 0.000 0.216 89 A C 2.364 179.878 177.584 -0.118 0.000 1.195 89 A CA 2.764 54.759 52.037 -0.070 0.000 0.622 89 A CB -1.418 17.589 19.000 0.012 0.000 0.831 89 A HN 1.206 nan 8.150 nan 0.000 0.444 90 V N -2.546 117.278 119.914 -0.150 0.000 2.626 90 V HA 0.035 4.164 4.120 0.015 0.000 0.252 90 V C 2.474 178.328 176.094 -0.399 0.000 1.067 90 V CA 1.699 63.910 62.300 -0.148 0.000 1.081 90 V CB -1.465 30.328 31.823 -0.049 0.000 0.686 90 V HN 0.565 nan 8.190 nan 0.000 0.468 91 A N 1.051 123.439 122.820 -0.718 0.000 2.070 91 A HA 0.139 4.468 4.320 0.015 0.000 0.220 91 A C 2.144 179.087 177.584 -1.068 0.000 1.159 91 A CA 1.612 52.663 52.037 -1.644 0.000 0.656 91 A CB -0.992 17.007 19.000 -1.668 0.000 0.800 91 A HN 0.812 nan 8.150 nan 0.000 0.453 92 G N -2.672 105.848 108.800 -0.467 0.000 3.277 92 G HA2 0.408 4.377 3.960 0.015 0.000 0.243 92 G HA3 0.408 4.377 3.960 0.015 0.000 0.243 92 G C 0.979 175.890 174.900 0.018 0.000 1.107 92 G CA 0.437 45.434 45.100 -0.172 0.000 0.771 92 G HN 1.541 nan 8.290 nan 0.000 0.544 93 G N -0.582 108.213 108.800 -0.010 0.000 2.157 93 G HA2 -0.232 3.737 3.960 0.015 0.000 0.239 93 G HA3 -0.232 3.737 3.960 0.015 0.000 0.239 93 G C 0.218 175.191 174.900 0.121 0.000 0.982 93 G CA 0.259 45.445 45.100 0.142 0.000 0.650 93 G HN 0.554 nan 8.290 nan 0.000 0.527 94 T N 1.279 115.878 114.554 0.075 0.000 2.749 94 T HA 0.541 4.900 4.350 0.015 0.000 0.287 94 T C 1.165 175.920 174.700 0.093 0.000 0.970 94 T CA 0.500 62.656 62.100 0.094 0.000 0.980 94 T CB 1.383 70.309 68.868 0.097 0.000 0.924 94 T HN 0.675 nan 8.240 nan 0.000 0.456 95 T N 0.038 114.671 114.554 0.132 0.000 3.132 95 T HA 0.430 4.789 4.350 0.015 0.000 0.274 95 T C -0.208 174.640 174.700 0.247 0.000 1.011 95 T CA -0.378 61.810 62.100 0.148 0.000 0.899 95 T CB -0.235 68.711 68.868 0.130 0.000 1.089 95 T HN 0.399 nan 8.240 nan 0.000 0.543 96 F N 2.034 122.019 119.950 0.057 0.000 2.605 96 F HA 0.609 5.145 4.527 0.015 0.000 0.320 96 F C -1.861 173.981 175.800 0.070 0.000 1.159 96 F CA -2.042 55.990 58.000 0.054 0.000 0.999 96 F CB 1.522 40.529 39.000 0.012 0.000 1.258 96 F HN 0.207 nan 8.300 nan 0.000 0.464 97 I N 4.299 124.688 120.570 -0.302 0.000 2.569 97 I HA 0.705 4.884 4.170 0.015 0.000 0.296 97 I C -1.365 174.544 176.117 -0.345 0.000 1.028 97 I CA -0.810 60.414 61.300 -0.127 0.000 1.082 97 I CB 2.009 40.097 38.000 0.146 0.000 1.264 97 I HN 0.419 nan 8.210 nan 0.000 0.429 98 I N 3.712 124.130 120.570 -0.253 0.000 2.382 98 I HA 0.458 4.637 4.170 0.015 0.000 0.286 98 I C -0.856 175.049 176.117 -0.354 0.000 1.002 98 I CA -0.278 60.760 61.300 -0.437 0.000 1.135 98 I CB 1.485 39.047 38.000 -0.730 0.000 1.288 98 I HN 0.689 nan 8.210 nan 0.000 0.448 99 D N 4.344 124.609 120.400 -0.225 0.000 2.326 99 D HA 0.533 5.182 4.640 0.015 0.000 0.248 99 D C -1.236 174.966 176.300 -0.163 0.000 1.001 99 D CA -0.263 53.720 54.000 -0.028 0.000 0.961 99 D CB 1.477 42.520 40.800 0.405 0.000 1.183 99 D HN 0.174 nan 8.370 nan 0.000 0.502 100 F N 1.252 121.208 119.950 0.011 0.000 2.404 100 F HA 0.323 4.859 4.527 0.015 0.000 0.354 100 F C -0.048 175.514 175.800 -0.397 0.000 1.122 100 F CA -0.861 57.113 58.000 -0.044 0.000 1.080 100 F CB 1.449 40.502 39.000 0.088 0.000 1.131 100 F HN 0.007 nan 8.300 nan 0.000 0.471 101 V N 5.654 125.288 119.914 -0.468 0.000 2.508 101 V HA 0.159 4.288 4.120 0.015 0.000 0.281 101 V C 0.310 176.038 176.094 -0.610 0.000 1.041 101 V CA -0.159 61.483 62.300 -1.097 0.000 1.016 101 V CB 0.689 32.237 31.823 -0.458 0.000 0.984 101 V HN 0.510 nan 8.190 nan 0.000 0.478 102 I N 7.043 127.093 120.570 -0.867 0.000 2.537 102 I HA 0.321 4.500 4.170 0.015 0.000 0.276 102 I C -2.427 173.690 176.117 0.001 0.000 1.063 102 I CA -1.733 59.448 61.300 -0.199 0.000 1.144 102 I CB 1.752 39.788 38.000 0.060 0.000 1.252 102 I HN 0.456 nan 8.210 nan 0.000 0.480 103 P HA 0.093 nan 4.420 nan 0.000 0.269 103 P C 0.189 177.586 177.300 0.163 0.000 1.209 103 P CA -0.014 63.196 63.100 0.182 0.000 0.776 103 P CB 0.417 32.279 31.700 0.270 0.000 0.876 104 T N 0.481 115.151 114.554 0.193 0.000 2.860 104 T HA 0.235 4.594 4.350 0.015 0.000 0.299 104 T C 0.467 175.185 174.700 0.031 0.000 1.045 104 T CA -0.868 61.326 62.100 0.157 0.000 1.071 104 T CB 0.379 69.318 68.868 0.117 0.000 0.985 104 T HN 0.220 nan 8.240 nan 0.000 0.537 105 R N 0.800 121.302 120.500 0.002 0.000 2.522 105 R HA 0.339 4.688 4.340 0.015 0.000 0.284 105 R C 1.651 177.518 176.300 -0.721 0.000 1.032 105 R CA 0.906 56.841 56.100 -0.275 0.000 1.049 105 R CB -0.136 30.133 30.300 -0.053 0.000 0.956 105 R HN 1.155 nan 8.270 nan 0.000 0.422 106 G N 1.574 109.261 108.800 -1.856 0.000 2.212 106 G HA2 -0.352 3.617 3.960 0.015 0.000 0.266 106 G HA3 -0.352 3.617 3.960 0.015 0.000 0.266 106 G C 0.221 174.577 174.900 -0.905 0.000 0.978 106 G CA 0.359 44.405 45.100 -1.755 0.000 0.632 106 G HN 0.616 nan 8.290 nan 0.000 0.537 107 Q N 0.964 120.506 119.800 -0.430 0.000 2.288 107 Q HA 0.537 4.885 4.340 0.015 0.000 0.254 107 Q C 0.679 176.909 176.000 0.384 0.000 0.932 107 Q CA 0.148 55.975 55.803 0.040 0.000 0.902 107 Q CB 0.800 29.596 28.738 0.097 0.000 1.203 107 Q HN 0.323 nan 8.270 nan 0.000 0.415 108 S N 3.289 119.167 115.700 0.298 0.000 2.552 108 S HA -0.001 4.478 4.470 0.015 0.000 0.289 108 S C 1.387 176.137 174.600 0.250 0.000 1.304 108 S CA -0.244 58.127 58.200 0.285 0.000 1.063 108 S CB 0.237 63.539 63.200 0.169 0.000 0.848 108 S HN 0.688 nan 8.310 nan 0.000 0.499 109 L N 5.142 126.490 121.223 0.208 0.000 2.093 109 L HA -0.113 4.236 4.340 0.015 0.000 0.208 109 L C 2.184 179.160 176.870 0.177 0.000 1.085 109 L CA 1.062 56.011 54.840 0.182 0.000 0.755 109 L CB -0.622 41.514 42.059 0.128 0.000 0.904 109 L HN 0.689 nan 8.230 nan 0.000 0.435 110 L N -0.253 121.045 121.223 0.125 0.000 2.056 110 L HA -0.179 4.170 4.340 0.015 0.000 0.207 110 L C 2.505 179.468 176.870 0.156 0.000 1.078 110 L CA 1.314 56.218 54.840 0.105 0.000 0.749 110 L CB -0.529 41.554 42.059 0.040 0.000 0.901 110 L HN 0.273 nan 8.230 nan 0.000 0.433 111 E N 0.296 120.576 120.200 0.133 0.000 2.106 111 E HA -0.177 4.182 4.350 0.015 0.000 0.192 111 E C 2.320 179.002 176.600 0.136 0.000 0.984 111 E CA 1.073 57.541 56.400 0.113 0.000 0.806 111 E CB -0.144 29.614 29.700 0.096 0.000 0.750 111 E HN 0.496 nan 8.360 nan 0.000 0.458 112 A N 0.801 123.738 122.820 0.195 0.000 1.873 112 A HA -0.196 4.133 4.320 0.015 0.000 0.215 112 A C 2.032 179.793 177.584 0.296 0.000 1.186 112 A CA 1.203 53.398 52.037 0.264 0.000 0.616 112 A CB -0.803 18.350 19.000 0.256 0.000 0.823 112 A HN 0.393 nan 8.150 nan 0.000 0.442 113 Y N 1.269 121.637 120.300 0.114 0.000 2.151 113 Y HA -0.281 4.278 4.550 0.014 0.000 0.284 113 Y C 1.848 177.780 175.900 0.052 0.000 1.166 113 Y CA 2.237 60.386 58.100 0.082 0.000 1.163 113 Y CB -0.215 38.261 38.460 0.027 0.000 0.974 113 Y HN 0.352 nan 8.280 nan 0.000 0.511 114 D N -0.292 120.212 120.400 0.172 0.000 2.144 114 D HA -0.192 4.457 4.640 0.015 0.000 0.199 114 D C 2.079 178.277 176.300 -0.169 0.000 0.984 114 D CA 1.498 55.506 54.000 0.013 0.000 0.834 114 D CB -0.394 40.429 40.800 0.040 0.000 0.955 114 D HN 0.415 nan 8.370 nan 0.000 0.465 115 Q N -0.382 119.300 119.800 -0.195 0.000 2.050 115 Q HA -0.123 4.226 4.340 0.015 0.000 0.202 115 Q C 2.090 177.597 176.000 -0.821 0.000 0.980 115 Q CA 1.356 56.814 55.803 -0.575 0.000 0.840 115 Q CB -0.462 27.924 28.738 -0.588 0.000 0.898 115 Q HN 0.407 nan 8.270 nan 0.000 0.424 116 W N 0.879 121.852 121.300 -0.544 0.000 2.355 116 W HA -0.170 4.499 4.660 0.015 0.000 0.309 116 W C 2.131 178.492 176.519 -0.262 0.000 1.206 116 W CA 1.758 58.968 57.345 -0.224 0.000 1.284 116 W CB -0.294 29.156 29.460 -0.016 0.000 1.145 116 W HN 0.272 nan 8.180 nan 0.000 0.502 117 K N 0.866 121.138 120.400 -0.213 0.000 2.147 117 K HA -0.222 4.107 4.320 0.015 0.000 0.205 117 K C 2.103 178.579 176.600 -0.206 0.000 1.049 117 K CA 1.479 57.610 56.287 -0.259 0.000 0.936 117 K CB -0.222 31.982 32.500 -0.493 0.000 0.722 117 K HN -0.046 nan 8.250 nan 0.000 0.446 118 K N -0.320 119.933 120.400 -0.245 0.000 2.025 118 K HA -0.142 4.187 4.320 0.015 0.000 0.207 118 K C 1.801 178.344 176.600 -0.097 0.000 1.049 118 K CA 1.250 57.424 56.287 -0.188 0.000 0.933 118 K CB -0.080 32.275 32.500 -0.241 0.000 0.714 118 K HN 0.190 nan 8.250 nan 0.000 0.438 119 W N 0.667 121.862 121.300 -0.176 0.000 2.338 119 W HA -0.123 4.546 4.660 0.014 0.000 0.304 119 W C 2.300 178.633 176.519 -0.310 0.000 1.212 119 W CA 1.205 58.451 57.345 -0.166 0.000 1.264 119 W CB -0.993 28.407 29.460 -0.100 0.000 1.142 119 W HN 0.268 nan 8.180 nan 0.000 0.512 120 A N 0.116 122.653 122.820 -0.471 0.000 1.855 120 A HA -0.147 4.182 4.320 0.015 0.000 0.213 120 A C 1.821 179.079 177.584 -0.543 0.000 1.195 120 A CA 1.760 53.147 52.037 -1.083 0.000 0.610 120 A CB -0.921 16.989 19.000 -1.817 0.000 0.837 120 A HN 0.052 nan 8.150 nan 0.000 0.444 121 D N 0.015 120.257 120.400 -0.265 0.000 2.158 121 D HA -0.137 4.511 4.640 0.015 0.000 0.197 121 D C 1.722 177.986 176.300 -0.060 0.000 0.995 121 D CA 1.147 55.109 54.000 -0.063 0.000 0.846 121 D CB -0.163 40.635 40.800 -0.003 0.000 0.941 121 D HN 0.377 nan 8.370 nan 0.000 0.456 122 E N -0.029 120.131 120.200 -0.067 0.000 2.274 122 E HA -0.047 4.312 4.350 0.015 0.000 0.194 122 E C 1.565 178.142 176.600 -0.037 0.000 0.996 122 E CA 0.677 57.059 56.400 -0.031 0.000 0.840 122 E CB 0.259 29.959 29.700 -0.001 0.000 0.772 122 E HN 0.340 nan 8.360 nan 0.000 0.491 123 K N -0.230 120.127 120.400 -0.072 0.000 2.474 123 K HA 0.093 4.422 4.320 0.015 0.000 0.202 123 K C 0.582 177.139 176.600 -0.072 0.000 1.248 123 K CA 0.092 56.347 56.287 -0.053 0.000 0.946 123 K CB 1.174 33.672 32.500 -0.005 0.000 1.102 123 K HN -0.055 nan 8.250 nan 0.000 0.541 124 V N 1.193 121.032 119.914 -0.126 0.000 2.655 124 V HA 0.080 4.209 4.120 0.015 0.000 0.300 124 V C 0.404 176.472 176.094 -0.044 0.000 1.044 124 V CA -0.093 62.141 62.300 -0.111 0.000 1.095 124 V CB 0.763 32.470 31.823 -0.193 0.000 0.952 124 V HN 0.204 nan 8.190 nan 0.000 0.485 125 N N 2.423 121.100 118.700 -0.039 0.000 2.280 125 N HA 0.187 4.935 4.740 0.015 0.000 0.192 125 N C 0.196 175.717 175.510 0.018 0.000 1.109 125 N CA 0.857 53.899 53.050 -0.014 0.000 0.855 125 N CB 0.602 39.069 38.487 -0.033 0.000 0.974 125 N HN 1.009 nan 8.380 nan 0.000 0.482 126 C N -1.318 118.003 119.300 0.034 0.000 3.318 126 C HA 0.489 4.958 4.460 0.015 0.000 0.322 126 C C -0.788 174.269 174.990 0.112 0.000 1.398 126 C CA -1.296 57.767 59.018 0.075 0.000 1.339 126 C CB 1.062 28.847 27.740 0.074 0.000 1.668 126 C HN -0.026 nan 8.230 nan 0.000 0.462 127 D N 1.019 121.513 120.400 0.157 0.000 2.382 127 D HA 0.516 5.165 4.640 0.015 0.000 0.240 127 D C -0.366 175.887 176.300 -0.079 0.000 1.146 127 D CA 0.866 54.971 54.000 0.175 0.000 0.897 127 D CB 0.361 41.357 40.800 0.327 0.000 1.197 127 D HN 0.807 nan 8.370 nan 0.000 0.432 128 Y N -1.803 118.244 120.300 -0.421 0.000 2.689 128 Y HA 0.711 5.270 4.550 0.014 0.000 0.333 128 Y C -0.835 174.670 175.900 -0.659 0.000 1.190 128 Y CA -1.045 56.596 58.100 -0.764 0.000 1.063 128 Y CB 1.075 39.344 38.460 -0.318 0.000 1.294 128 Y HN 0.283 nan 8.280 nan 0.000 0.466 129 S N 0.020 115.281 115.700 -0.731 0.000 2.752 129 S HA 0.841 5.320 4.470 0.015 0.000 0.284 129 S C -2.254 172.177 174.600 -0.282 0.000 1.189 129 S CA -0.861 56.942 58.200 -0.662 0.000 0.835 129 S CB 1.197 64.043 63.200 -0.589 0.000 1.192 129 S HN 0.750 nan 8.310 nan 0.000 0.506 130 L N 2.712 123.810 121.223 -0.208 0.000 2.436 130 L HA 0.553 4.902 4.340 0.015 0.000 0.268 130 L C -0.746 175.886 176.870 -0.397 0.000 0.974 130 L CA -0.856 53.862 54.840 -0.203 0.000 0.826 130 L CB 2.001 44.114 42.059 0.090 0.000 1.291 130 L HN 0.705 nan 8.230 nan 0.000 0.406 131 H N 1.971 120.775 119.070 -0.443 0.000 2.488 131 H HA 0.537 5.102 4.556 0.015 0.000 0.347 131 H C -0.698 174.483 175.328 -0.246 0.000 1.174 131 H CA -0.665 55.089 56.048 -0.490 0.000 1.307 131 H CB 2.379 31.621 29.762 -0.867 0.000 1.517 131 H HN 0.180 nan 8.280 nan 0.000 0.554 132 V N 1.233 121.149 119.914 0.002 0.000 2.444 132 V HA 0.375 4.504 4.120 0.015 0.000 0.294 132 V C 0.321 176.587 176.094 0.287 0.000 1.022 132 V CA -0.966 61.423 62.300 0.149 0.000 0.850 132 V CB 1.184 33.147 31.823 0.232 0.000 0.992 132 V HN 0.929 nan 8.190 nan 0.000 0.426 133 A N 5.775 128.745 122.820 0.250 0.000 2.354 133 A HA 0.723 5.052 4.320 0.015 0.000 0.269 133 A C -0.120 177.584 177.584 0.201 0.000 1.109 133 A CA -0.302 51.884 52.037 0.249 0.000 0.800 133 A CB 0.141 19.296 19.000 0.258 0.000 1.045 133 A HN 0.818 nan 8.150 nan 0.000 0.489 134 I N 3.532 124.220 120.570 0.196 0.000 2.316 134 I HA 0.093 4.272 4.170 0.015 0.000 0.286 134 I C 1.354 177.570 176.117 0.165 0.000 1.107 134 I CA -0.015 61.367 61.300 0.137 0.000 1.219 134 I CB 0.578 38.635 38.000 0.094 0.000 1.455 134 I HN 0.887 nan 8.210 nan 0.000 0.498 135 T N 1.286 115.916 114.554 0.127 0.000 3.067 135 T HA 0.022 4.381 4.350 0.015 0.000 0.261 135 T C 0.171 175.109 174.700 0.396 0.000 1.110 135 T CA 0.057 62.190 62.100 0.056 0.000 1.113 135 T CB 0.173 68.789 68.868 -0.420 0.000 0.917 135 T HN 0.611 nan 8.240 nan 0.000 0.499 136 W N -1.062 120.325 121.300 0.145 0.000 3.118 136 W HA 0.608 5.271 4.660 0.005 0.000 0.328 136 W C -2.046 174.646 176.519 0.289 0.000 1.239 136 W CA -2.848 54.615 57.345 0.196 0.000 1.176 136 W CB 0.289 29.832 29.460 0.139 0.000 1.433 136 W HN 0.066 nan 8.180 nan 0.000 0.562 137 W N 3.621 124.897 121.300 -0.040 0.000 2.702 137 W HA 0.525 5.188 4.660 0.005 0.000 0.331 137 W C -1.141 175.275 176.519 -0.170 0.000 1.049 137 W CA -0.609 56.611 57.345 -0.208 0.000 1.230 137 W CB 2.178 31.596 29.460 -0.069 0.000 1.408 137 W HN 0.698 nan 8.180 nan 0.000 0.492 138 S N 0.994 116.077 115.700 -1.028 0.000 2.636 138 S HA 0.326 4.805 4.470 0.015 0.000 0.266 138 S C 0.367 174.401 174.600 -0.943 0.000 1.147 138 S CA 0.172 57.904 58.200 -0.780 0.000 0.815 138 S CB 1.006 63.995 63.200 -0.352 0.000 1.119 138 S HN 0.635 nan 8.310 nan 0.000 0.470 139 E N 0.477 120.337 120.200 -0.566 0.000 2.058 139 E HA -0.183 4.176 4.350 0.015 0.000 0.194 139 E C 1.923 178.287 176.600 -0.394 0.000 0.997 139 E CA 2.228 58.361 56.400 -0.444 0.000 0.801 139 E CB -1.232 28.315 29.700 -0.255 0.000 0.746 139 E HN 0.718 nan 8.360 nan 0.000 0.450 140 Q N -0.007 119.606 119.800 -0.313 0.000 2.124 140 Q HA -0.069 4.280 4.340 0.015 0.000 0.202 140 Q C 2.256 178.071 176.000 -0.309 0.000 0.977 140 Q CA 1.688 57.354 55.803 -0.228 0.000 0.850 140 Q CB -0.508 28.172 28.738 -0.097 0.000 0.901 140 Q HN 0.449 nan 8.270 nan 0.000 0.429 141 V N -0.180 119.419 119.914 -0.526 0.000 2.255 141 V HA -0.287 3.842 4.120 0.015 0.000 0.247 141 V C 2.312 178.158 176.094 -0.413 0.000 1.051 141 V CA 1.981 63.949 62.300 -0.553 0.000 1.018 141 V CB -1.182 30.150 31.823 -0.819 0.000 0.641 141 V HN 0.500 nan 8.190 nan 0.000 0.445 142 S N -0.441 114.910 115.700 -0.582 0.000 2.380 142 S HA -0.298 4.181 4.470 0.015 0.000 0.229 142 S C 2.164 176.640 174.600 -0.207 0.000 1.043 142 S CA 2.164 60.151 58.200 -0.355 0.000 1.038 142 S CB -0.295 62.645 63.200 -0.434 0.000 0.872 142 S HN 0.585 nan 8.310 nan 0.000 0.456 143 R N 0.364 120.737 120.500 -0.212 0.000 2.092 143 R HA 0.018 4.367 4.340 0.015 0.000 0.231 143 R C 2.434 178.672 176.300 -0.103 0.000 1.119 143 R CA 1.612 57.633 56.100 -0.132 0.000 0.970 143 R CB -0.239 29.988 30.300 -0.121 0.000 0.864 143 R HN 0.576 nan 8.270 nan 0.000 0.440 144 E N 0.287 120.416 120.200 -0.118 0.000 2.208 144 E HA -0.116 4.243 4.350 0.015 0.000 0.193 144 E C 1.906 178.476 176.600 -0.050 0.000 0.988 144 E CA 0.812 57.168 56.400 -0.072 0.000 0.828 144 E CB 0.022 29.688 29.700 -0.056 0.000 0.763 144 E HN 0.309 nan 8.360 nan 0.000 0.478 145 M N 0.560 120.097 119.600 -0.104 0.000 2.149 145 M HA -0.220 4.269 4.480 0.015 0.000 0.261 145 M C 2.363 178.682 176.300 0.031 0.000 1.064 145 M CA 1.467 56.695 55.300 -0.119 0.000 1.102 145 M CB -0.166 32.159 32.600 -0.459 0.000 1.369 145 M HN 0.075 nan 8.290 nan 0.000 0.408 146 E N 1.062 121.251 120.200 -0.018 0.000 2.110 146 E HA -0.186 4.173 4.350 0.015 0.000 0.193 146 E C 1.795 178.400 176.600 0.010 0.000 0.988 146 E CA 1.212 57.617 56.400 0.008 0.000 0.804 146 E CB -0.061 29.632 29.700 -0.011 0.000 0.745 146 E HN 0.525 nan 8.360 nan 0.000 0.458 147 I N 0.550 121.112 120.570 -0.013 0.000 2.252 147 I HA -0.230 3.949 4.170 0.015 0.000 0.245 147 I C 2.157 178.239 176.117 -0.058 0.000 1.102 147 I CA 0.272 61.551 61.300 -0.036 0.000 1.385 147 I CB -0.175 37.795 38.000 -0.050 0.000 1.064 147 I HN 0.238 nan 8.210 nan 0.000 0.414 148 L N 0.362 121.559 121.223 -0.043 0.000 2.012 148 L HA -0.198 4.151 4.340 0.015 0.000 0.210 148 L C 2.578 179.423 176.870 -0.041 0.000 1.073 148 L CA 1.830 56.614 54.840 -0.094 0.000 0.748 148 L CB -1.205 40.884 42.059 0.051 0.000 0.891 148 L HN 0.096 nan 8.230 nan 0.000 0.431 149 V N -0.077 119.874 119.914 0.061 0.000 2.358 149 V HA -0.234 3.895 4.120 0.015 0.000 0.246 149 V C 2.924 179.023 176.094 0.008 0.000 1.047 149 V CA 2.169 64.493 62.300 0.040 0.000 1.035 149 V CB -1.016 30.861 31.823 0.091 0.000 0.658 149 V HN 0.569 nan 8.190 nan 0.000 0.452 150 K N -0.385 120.019 120.400 0.007 0.000 2.137 150 K HA -0.037 4.292 4.320 0.015 0.000 0.202 150 K C 1.885 178.480 176.600 -0.008 0.000 1.052 150 K CA 1.401 57.691 56.287 0.004 0.000 0.961 150 K CB -0.260 32.244 32.500 0.006 0.000 0.741 150 K HN 0.645 nan 8.250 nan 0.000 0.452 151 E N -1.125 119.056 120.200 -0.032 0.000 2.364 151 E HA 0.103 4.462 4.350 0.015 0.000 0.203 151 E C 1.247 177.812 176.600 -0.059 0.000 0.888 151 E CA -0.177 56.198 56.400 -0.042 0.000 0.989 151 E CB 0.745 30.411 29.700 -0.057 0.000 0.985 151 E HN 0.173 nan 8.360 nan 0.000 0.499 152 R N 0.150 120.580 120.500 -0.117 0.000 2.507 152 R HA 0.203 4.552 4.340 0.015 0.000 0.298 152 R C 0.595 176.910 176.300 0.025 0.000 0.999 152 R CA 0.419 56.403 56.100 -0.194 0.000 1.082 152 R CB 0.731 30.622 30.300 -0.682 0.000 1.246 152 R HN 0.222 nan 8.270 nan 0.000 0.553 153 G N 1.189 110.040 108.800 0.085 0.000 2.225 153 G HA2 -0.261 3.708 3.960 0.015 0.000 0.267 153 G HA3 -0.261 3.708 3.960 0.015 0.000 0.267 153 G C 0.015 174.977 174.900 0.102 0.000 1.024 153 G CA 0.419 45.615 45.100 0.160 0.000 0.784 153 G HN 0.166 nan 8.290 nan 0.000 0.507 154 V N 0.686 120.602 119.914 0.004 0.000 2.483 154 V HA 0.630 4.759 4.120 0.015 0.000 0.295 154 V C 0.503 176.488 176.094 -0.182 0.000 1.035 154 V CA -0.108 62.125 62.300 -0.112 0.000 0.896 154 V CB 1.923 33.631 31.823 -0.192 0.000 0.986 154 V HN 0.597 nan 8.190 nan 0.000 0.447 155 N N 1.062 119.634 118.700 -0.212 0.000 2.387 155 N HA 0.124 4.873 4.740 0.015 0.000 0.259 155 N C -0.510 174.892 175.510 -0.179 0.000 1.369 155 N CA -0.080 52.865 53.050 -0.176 0.000 0.867 155 N CB 0.944 39.376 38.487 -0.093 0.000 1.341 155 N HN 0.575 nan 8.380 nan 0.000 0.495 156 S N -0.943 114.534 115.700 -0.372 0.000 2.566 156 S HA 0.754 5.233 4.470 0.015 0.000 0.273 156 S C -1.274 173.026 174.600 -0.500 0.000 1.157 156 S CA -0.723 57.339 58.200 -0.230 0.000 0.938 156 S CB 0.744 64.014 63.200 0.116 0.000 1.087 156 S HN 0.033 nan 8.310 nan 0.000 0.474 160 F N 1.754 121.810 119.950 0.176 0.000 2.427 160 F HA 0.660 5.195 4.527 0.014 0.000 0.346 160 F C 1.347 177.264 175.800 0.194 0.000 1.120 160 F CA -0.843 57.301 58.000 0.239 0.000 1.033 160 F CB 1.801 40.991 39.000 0.316 0.000 1.126 160 F HN 0.596 nan 8.300 nan 0.000 0.462 161 M N 1.766 121.574 119.600 0.346 0.000 2.510 161 M HA 0.220 4.709 4.480 0.015 0.000 0.256 161 M C 0.905 177.338 176.300 0.222 0.000 1.132 161 M CA 0.233 55.676 55.300 0.239 0.000 1.105 161 M CB 0.213 32.929 32.600 0.193 0.000 1.375 161 M HN 0.654 nan 8.290 nan 0.000 0.477 162 A N -0.900 122.070 122.820 0.250 0.000 2.378 162 A HA 0.506 4.835 4.320 0.015 0.000 0.293 162 A C -0.645 177.033 177.584 0.157 0.000 1.250 162 A CA -0.465 51.612 52.037 0.066 0.000 0.915 162 A CB -0.065 18.803 19.000 -0.219 0.000 1.402 162 A HN 0.477 nan 8.150 nan 0.000 0.502 163 Y N -1.557 118.745 120.300 0.003 0.000 3.004 163 Y HA -0.160 4.397 4.550 0.012 0.000 0.160 163 Y C 0.534 176.405 175.900 -0.049 0.000 1.739 163 Y CA 0.981 59.035 58.100 -0.077 0.000 0.959 163 Y CB -1.595 36.705 38.460 -0.266 0.000 1.460 163 Y HN 0.747 nan 8.280 nan 0.000 0.385 164 K N 1.892 122.337 120.400 0.074 0.000 2.414 164 K HA 0.045 4.374 4.320 0.015 0.000 0.272 164 K C 0.980 177.565 176.600 -0.024 0.000 0.993 164 K CA 0.635 56.913 56.287 -0.013 0.000 0.964 164 K CB 0.211 32.616 32.500 -0.158 0.000 0.925 164 K HN 0.593 nan 8.250 nan 0.000 0.487 165 N N 0.150 118.817 118.700 -0.055 0.000 2.815 165 N HA -0.243 4.505 4.740 0.015 0.000 0.247 165 N C -0.051 175.446 175.510 -0.022 0.000 1.030 165 N CA 1.519 54.547 53.050 -0.038 0.000 0.881 165 N CB -1.442 37.020 38.487 -0.041 0.000 1.134 165 N HN 0.721 nan 8.380 nan 0.000 0.582 166 S N -1.399 114.288 115.700 -0.022 0.000 4.002 166 S HA 0.362 4.841 4.470 0.015 0.000 0.167 166 S C 0.854 175.526 174.600 0.120 0.000 0.914 166 S CA -0.167 57.986 58.200 -0.079 0.000 1.110 166 S CB -0.159 62.802 63.200 -0.399 0.000 1.714 166 S HN -0.086 nan 8.310 nan 0.000 0.858 167 F N 2.413 122.341 119.950 -0.038 0.000 2.615 167 F HA 0.491 5.024 4.527 0.011 0.000 0.297 167 F C 1.299 177.179 175.800 0.134 0.000 1.124 167 F CA -0.880 57.102 58.000 -0.031 0.000 1.451 167 F CB -0.854 37.879 39.000 -0.444 0.000 1.103 167 F HN 0.305 nan 8.300 nan 0.000 0.569 168 M N 1.757 121.541 119.600 0.306 0.000 2.248 168 M HA 0.179 4.667 4.480 0.015 0.000 0.343 168 M C -0.317 176.113 176.300 0.216 0.000 1.243 168 M CA 0.155 55.613 55.300 0.264 0.000 1.025 168 M CB 0.461 33.159 32.600 0.164 0.000 1.759 168 M HN -0.055 nan 8.290 nan 0.000 0.452 169 V N 2.046 122.068 119.914 0.181 0.000 2.769 169 V HA 0.783 4.912 4.120 0.015 0.000 0.312 169 V C 0.111 176.234 176.094 0.050 0.000 1.058 169 V CA -0.612 61.748 62.300 0.100 0.000 0.952 169 V CB 1.274 33.111 31.823 0.025 0.000 1.019 169 V HN 0.934 nan 8.190 nan 0.000 0.445 170 T N -1.103 113.468 114.554 0.028 0.000 2.824 170 T HA 0.310 4.669 4.350 0.015 0.000 0.277 170 T C 0.580 175.259 174.700 -0.036 0.000 0.975 170 T CA 0.054 62.161 62.100 0.011 0.000 0.966 170 T CB 0.968 69.854 68.868 0.030 0.000 1.054 170 T HN 0.667 nan 8.240 nan 0.000 0.533 171 D N -0.504 119.876 120.400 -0.034 0.000 2.178 171 D HA -0.098 4.551 4.640 0.015 0.000 0.201 171 D C 1.995 178.251 176.300 -0.073 0.000 0.980 171 D CA 1.178 55.139 54.000 -0.065 0.000 0.842 171 D CB -0.166 40.603 40.800 -0.052 0.000 0.948 171 D HN 0.705 nan 8.370 nan 0.000 0.472 172 Q N 0.239 120.025 119.800 -0.024 0.000 2.083 172 Q HA -0.118 4.231 4.340 0.015 0.000 0.198 172 Q C 1.760 177.825 176.000 0.108 0.000 0.969 172 Q CA 0.923 56.750 55.803 0.040 0.000 0.838 172 Q CB 0.211 29.006 28.738 0.094 0.000 0.900 172 Q HN 0.323 nan 8.270 nan 0.000 0.436 173 E N 0.416 120.629 120.200 0.021 0.000 2.047 173 E HA -0.212 4.147 4.350 0.015 0.000 0.191 173 E C 2.002 178.350 176.600 -0.419 0.000 0.987 173 E CA 1.339 57.651 56.400 -0.146 0.000 0.799 173 E CB -0.176 29.453 29.700 -0.118 0.000 0.752 173 E HN 0.366 nan 8.360 nan 0.000 0.449 174 M N 0.292 119.662 119.600 -0.383 0.000 2.108 174 M HA -0.251 4.238 4.480 0.015 0.000 0.261 174 M C 2.268 178.119 176.300 -0.749 0.000 1.066 174 M CA 1.559 56.465 55.300 -0.657 0.000 1.107 174 M CB -0.221 32.031 32.600 -0.580 0.000 1.356 174 M HN 0.143 nan 8.290 nan 0.000 0.406 175 Y N 0.507 120.486 120.300 -0.534 0.000 2.081 175 Y HA -0.344 4.214 4.550 0.013 0.000 0.280 175 Y C 1.966 177.642 175.900 -0.373 0.000 1.163 175 Y CA 2.631 60.480 58.100 -0.418 0.000 1.135 175 Y CB -0.925 37.300 38.460 -0.393 0.000 0.970 175 Y HN 0.441 nan 8.280 nan 0.000 0.498 176 H N -0.787 118.139 119.070 -0.241 0.000 2.423 176 H HA -0.080 4.484 4.556 0.013 0.000 0.297 176 H C 2.283 177.392 175.328 -0.364 0.000 1.075 176 H CA 1.683 57.587 56.048 -0.239 0.000 1.342 176 H CB -0.172 29.628 29.762 0.063 0.000 1.395 176 H HN 0.355 nan 8.280 nan 0.000 0.530 177 I N -0.165 120.026 120.570 -0.632 0.000 2.226 177 I HA -0.257 3.922 4.170 0.015 0.000 0.245 177 I C 1.430 177.466 176.117 -0.135 0.000 1.100 177 I CA 0.812 61.699 61.300 -0.688 0.000 1.374 177 I CB -0.128 37.372 38.000 -0.832 0.000 1.057 177 I HN 0.216 nan 8.210 nan 0.000 0.413 178 F N 1.415 121.212 119.950 -0.255 0.000 2.186 178 F HA -0.118 4.422 4.527 0.021 0.000 0.299 178 F C 2.408 178.123 175.800 -0.142 0.000 1.090 178 F CA 1.062 58.966 58.000 -0.159 0.000 1.307 178 F CB -1.025 37.889 39.000 -0.145 0.000 1.019 178 F HN -0.001 nan 8.300 nan 0.000 0.489 179 K N -0.321 120.059 120.400 -0.034 0.000 2.097 179 K HA -0.190 4.139 4.320 0.015 0.000 0.206 179 K C 2.228 178.844 176.600 0.027 0.000 1.049 179 K CA 1.108 57.358 56.287 -0.062 0.000 0.933 179 K CB -0.098 32.297 32.500 -0.176 0.000 0.717 179 K HN -0.062 nan 8.250 nan 0.000 0.442 180 R N 1.035 121.560 120.500 0.041 0.000 2.073 180 R HA -0.029 4.319 4.340 0.015 0.000 0.229 180 R C 2.029 178.355 176.300 0.043 0.000 1.120 180 R CA 1.430 57.566 56.100 0.061 0.000 0.967 180 R CB -0.976 29.393 30.300 0.116 0.000 0.862 180 R HN 0.178 nan 8.270 nan 0.000 0.436 181 C N 0.745 120.081 119.300 0.060 0.000 2.413 181 C HA -0.096 4.373 4.460 0.015 0.000 0.276 181 C C 2.552 177.620 174.990 0.130 0.000 1.236 181 C CA 1.249 60.339 59.018 0.121 0.000 1.735 181 C CB -0.737 27.104 27.740 0.168 0.000 2.031 181 C HN 0.566 nan 8.230 nan 0.000 0.474 182 K N 0.778 121.268 120.400 0.150 0.000 2.032 182 K HA -0.243 4.086 4.320 0.015 0.000 0.209 182 K C 2.103 178.797 176.600 0.157 0.000 1.048 182 K CA 1.952 58.380 56.287 0.235 0.000 0.927 182 K CB -0.350 32.257 32.500 0.178 0.000 0.712 182 K HN 0.597 nan 8.250 nan 0.000 0.441 183 E N 0.346 120.613 120.200 0.113 0.000 2.110 183 E HA -0.170 4.189 4.350 0.015 0.000 0.193 183 E C 1.694 178.361 176.600 0.111 0.000 0.988 183 E CA 1.037 57.510 56.400 0.122 0.000 0.804 183 E CB 0.054 29.804 29.700 0.084 0.000 0.745 183 E HN 0.354 nan 8.360 nan 0.000 0.458 184 L N -0.722 120.493 121.223 -0.013 0.000 2.592 184 L HA 0.250 4.599 4.340 0.015 0.000 0.227 184 L C 1.234 177.788 176.870 -0.527 0.000 1.127 184 L CA 0.259 55.048 54.840 -0.085 0.000 0.884 184 L CB 0.329 42.391 42.059 0.004 0.000 1.065 184 L HN 0.334 nan 8.230 nan 0.000 0.457 185 G N 0.979 109.116 108.800 -1.106 0.000 2.221 185 G HA2 -0.220 3.749 3.960 0.015 0.000 0.265 185 G HA3 -0.220 3.749 3.960 0.015 0.000 0.265 185 G C 0.169 174.453 174.900 -1.026 0.000 1.041 185 G CA 0.211 43.868 45.100 -2.405 0.000 0.807 185 G HN 0.496 nan 8.290 nan 0.000 0.502 186 A N -0.616 122.045 122.820 -0.265 0.000 2.325 186 A HA 0.830 5.159 4.320 0.015 0.000 0.333 186 A C 0.382 178.109 177.584 0.238 0.000 1.155 186 A CA -0.498 51.570 52.037 0.052 0.000 0.814 186 A CB 1.137 20.279 19.000 0.237 0.000 1.206 186 A HN 1.278 nan 8.150 nan 0.000 0.482 187 I N 1.490 122.133 120.570 0.121 0.000 2.634 187 I HA 0.416 4.595 4.170 0.015 0.000 0.284 187 I C 0.610 176.741 176.117 0.024 0.000 1.124 187 I CA 0.041 61.339 61.300 -0.004 0.000 1.417 187 I CB 1.099 38.993 38.000 -0.177 0.000 1.396 187 I HN 0.674 nan 8.210 nan 0.000 0.571 188 A N 7.663 130.450 122.820 -0.054 0.000 2.253 188 A HA 0.445 4.774 4.320 0.015 0.000 0.316 188 A C -0.468 177.112 177.584 -0.007 0.000 1.327 188 A CA -0.514 51.503 52.037 -0.032 0.000 0.917 188 A CB 0.341 19.137 19.000 -0.339 0.000 1.162 188 A HN 0.799 nan 8.150 nan 0.000 0.535 189 Q N 0.723 120.574 119.800 0.085 0.000 2.259 189 Q HA 0.601 4.950 4.340 0.015 0.000 0.246 189 Q C -0.910 175.160 176.000 0.116 0.000 0.920 189 Q CA -0.502 55.370 55.803 0.115 0.000 0.895 189 Q CB 2.161 30.935 28.738 0.060 0.000 1.220 189 Q HN 0.499 nan 8.270 nan 0.000 0.439 190 V N 1.049 121.022 119.914 0.098 0.000 2.569 190 V HA 0.135 4.264 4.120 0.015 0.000 0.301 190 V C -1.041 175.073 176.094 0.034 0.000 1.044 190 V CA -0.810 61.543 62.300 0.088 0.000 0.874 190 V CB 1.491 33.416 31.823 0.170 0.000 1.002 190 V HN 0.792 nan 8.190 nan 0.000 0.424 191 H N 4.034 123.037 119.070 -0.112 0.000 3.004 191 H HA 0.603 5.169 4.556 0.017 0.000 0.267 191 H C 0.314 175.746 175.328 0.173 0.000 1.165 191 H CA -0.080 56.003 56.048 0.059 0.000 1.450 191 H CB 0.777 30.617 29.762 0.131 0.000 1.488 191 H HN 0.878 nan 8.280 nan 0.000 0.478 192 A N 5.874 128.860 122.820 0.277 0.000 2.690 192 A HA 0.283 4.612 4.320 0.015 0.000 0.342 192 A C -0.475 177.249 177.584 0.233 0.000 1.410 192 A CA -0.593 51.583 52.037 0.231 0.000 0.958 192 A CB 0.097 19.171 19.000 0.124 0.000 1.153 192 A HN 0.869 nan 8.150 nan 0.000 0.497 193 E N 1.180 121.560 120.200 0.300 0.000 2.317 193 E HA 0.167 4.526 4.350 0.015 0.000 0.270 193 E C -0.884 175.804 176.600 0.147 0.000 0.885 193 E CA -1.043 55.474 56.400 0.195 0.000 0.760 193 E CB 1.635 31.457 29.700 0.204 0.000 1.227 193 E HN 0.563 nan 8.360 nan 0.000 0.434 194 N N 1.762 120.521 118.700 0.099 0.000 2.406 194 N HA -0.019 4.730 4.740 0.015 0.000 0.274 194 N C 0.804 176.359 175.510 0.075 0.000 1.249 194 N CA 0.255 53.353 53.050 0.081 0.000 0.951 194 N CB 0.957 39.482 38.487 0.064 0.000 1.241 194 N HN 0.775 nan 8.380 nan 0.000 0.485 195 G N 3.264 112.111 108.800 0.078 0.000 2.440 195 G HA2 -0.260 3.709 3.960 0.015 0.000 0.218 195 G HA3 -0.260 3.709 3.960 0.015 0.000 0.218 195 G C 1.062 176.010 174.900 0.079 0.000 1.154 195 G CA 0.483 45.622 45.100 0.066 0.000 0.767 195 G HN 0.533 nan 8.290 nan 0.000 0.552 196 D N 0.240 120.676 120.400 0.060 0.000 2.117 196 D HA -0.069 4.580 4.640 0.015 0.000 0.197 196 D C 2.557 178.939 176.300 0.137 0.000 0.987 196 D CA 0.744 54.784 54.000 0.067 0.000 0.829 196 D CB -0.131 40.689 40.800 0.033 0.000 0.961 196 D HN 0.169 nan 8.370 nan 0.000 0.460 197 M N 0.042 119.703 119.600 0.101 0.000 2.288 197 M HA -0.036 4.453 4.480 0.015 0.000 0.266 197 M C 2.244 178.600 176.300 0.093 0.000 1.072 197 M CA 0.435 55.790 55.300 0.093 0.000 1.132 197 M CB -0.542 32.095 32.600 0.062 0.000 1.386 197 M HN -0.089 nan 8.290 nan 0.000 0.432 198 V N 0.052 120.021 119.914 0.090 0.000 2.407 198 V HA -0.264 3.865 4.120 0.015 0.000 0.248 198 V C 2.209 178.367 176.094 0.106 0.000 1.055 198 V CA 1.619 63.957 62.300 0.064 0.000 1.049 198 V CB -0.853 30.985 31.823 0.026 0.000 0.662 198 V HN 0.309 nan 8.190 nan 0.000 0.455 199 F N 1.076 121.024 119.950 -0.003 0.000 2.146 199 F HA -0.109 4.435 4.527 0.029 0.000 0.298 199 F C 2.474 178.282 175.800 0.013 0.000 1.096 199 F CA 1.644 59.645 58.000 0.002 0.000 1.275 199 F CB -0.064 38.936 39.000 0.000 0.000 1.008 199 F HN 0.106 nan 8.300 nan 0.000 0.480 200 E N 0.301 120.613 120.200 0.186 0.000 2.150 200 E HA -0.101 4.258 4.350 0.015 0.000 0.193 200 E C 2.461 179.054 176.600 -0.011 0.000 0.985 200 E CA 1.075 57.513 56.400 0.062 0.000 0.814 200 E CB -1.003 28.773 29.700 0.125 0.000 0.752 200 E HN 0.556 nan 8.360 nan 0.000 0.466 201 G N 0.973 109.782 108.800 0.015 0.000 2.421 201 G HA2 -0.255 3.714 3.960 0.015 0.000 0.217 201 G HA3 -0.255 3.714 3.960 0.015 0.000 0.217 201 G C 1.549 176.471 174.900 0.036 0.000 1.143 201 G CA 0.292 45.401 45.100 0.016 0.000 0.784 201 G HN 0.229 nan 8.290 nan 0.000 0.541 202 Q N -0.108 119.706 119.800 0.022 0.000 2.046 202 Q HA -0.044 4.305 4.340 0.015 0.000 0.200 202 Q C 2.467 178.434 176.000 -0.056 0.000 0.975 202 Q CA 1.357 57.206 55.803 0.076 0.000 0.836 202 Q CB -0.153 28.565 28.738 -0.034 0.000 0.896 202 Q HN 0.460 nan 8.270 nan 0.000 0.428 203 K N 1.243 121.520 120.400 -0.205 0.000 2.032 203 K HA -0.230 4.099 4.320 0.015 0.000 0.209 203 K C 2.098 178.649 176.600 -0.081 0.000 1.048 203 K CA 1.471 57.635 56.287 -0.204 0.000 0.927 203 K CB -0.009 32.321 32.500 -0.283 0.000 0.712 203 K HN -0.033 nan 8.250 nan 0.000 0.441 204 K N -0.201 120.176 120.400 -0.038 0.000 2.026 204 K HA -0.138 4.191 4.320 0.015 0.000 0.208 204 K C 2.176 178.794 176.600 0.029 0.000 1.048 204 K CA 1.395 57.681 56.287 -0.002 0.000 0.929 204 K CB 0.010 32.515 32.500 0.008 0.000 0.713 204 K HN 0.094 nan 8.250 nan 0.000 0.439 205 M N 1.001 120.647 119.600 0.076 0.000 2.086 205 M HA -0.124 4.365 4.480 0.015 0.000 0.261 205 M C 2.225 178.613 176.300 0.146 0.000 1.067 205 M CA 1.445 56.821 55.300 0.127 0.000 1.116 205 M CB -0.905 31.816 32.600 0.200 0.000 1.348 205 M HN 0.193 nan 8.290 nan 0.000 0.407 206 L N -0.562 120.737 121.223 0.127 0.000 2.046 206 L HA -0.217 4.132 4.340 0.015 0.000 0.208 206 L C 2.260 179.132 176.870 0.004 0.000 1.077 206 L CA 1.221 56.080 54.840 0.032 0.000 0.747 206 L CB -0.647 41.351 42.059 -0.103 0.000 0.896 206 L HN 0.365 nan 8.230 nan 0.000 0.432 207 E N -0.256 119.939 120.200 -0.008 0.000 2.209 207 E HA -0.219 4.140 4.350 0.015 0.000 0.196 207 E C 2.097 178.700 176.600 0.005 0.000 0.993 207 E CA 1.109 57.504 56.400 -0.010 0.000 0.819 207 E CB -0.052 29.639 29.700 -0.015 0.000 0.745 207 E HN 0.505 nan 8.360 nan 0.000 0.477 208 M N -1.061 118.551 119.600 0.019 0.000 2.618 208 M HA 0.084 4.573 4.480 0.015 0.000 0.240 208 M C 1.134 177.449 176.300 0.025 0.000 1.123 208 M CA 0.633 55.946 55.300 0.021 0.000 1.060 208 M CB 0.718 33.334 32.600 0.026 0.000 1.535 208 M HN 0.262 nan 8.290 nan 0.000 0.507 209 G N 1.638 110.455 108.800 0.028 0.000 2.143 209 G HA2 -0.245 3.724 3.960 0.015 0.000 0.249 209 G HA3 -0.245 3.724 3.960 0.015 0.000 0.249 209 G C 0.112 175.041 174.900 0.049 0.000 0.981 209 G CA -0.304 44.814 45.100 0.030 0.000 0.665 209 G HN 0.508 nan 8.290 nan 0.000 0.528 210 I N 2.642 123.255 120.570 0.071 0.000 2.224 210 I HA 0.215 4.394 4.170 0.015 0.000 0.293 210 I C 1.810 178.036 176.117 0.182 0.000 1.155 210 I CA 0.469 61.813 61.300 0.074 0.000 1.297 210 I CB 0.390 38.407 38.000 0.028 0.000 1.487 210 I HN 0.260 nan 8.210 nan 0.000 0.564 211 T N 0.101 114.756 114.554 0.168 0.000 3.051 211 T HA 0.134 4.493 4.350 0.015 0.000 0.255 211 T C 1.137 176.040 174.700 0.339 0.000 1.085 211 T CA 0.052 62.299 62.100 0.246 0.000 1.109 211 T CB 0.115 69.052 68.868 0.114 0.000 0.921 211 T HN 0.478 nan 8.240 nan 0.000 0.488 212 G N 2.177 111.101 108.800 0.207 0.000 2.684 212 G HA2 0.395 4.364 3.960 0.015 0.000 0.255 212 G HA3 0.395 4.364 3.960 0.015 0.000 0.255 212 G C -1.556 173.342 174.900 -0.004 0.000 1.219 212 G CA -1.204 43.999 45.100 0.170 0.000 0.901 212 G HN 0.050 nan 8.290 nan 0.000 0.548 213 P HA -0.131 nan 4.420 nan 0.000 0.216 213 P C 1.876 178.889 177.300 -0.479 0.000 1.150 213 P CA 1.498 64.405 63.100 -0.322 0.000 0.837 213 P CB 0.134 31.555 31.700 -0.465 0.000 0.786 214 E N 0.082 119.872 120.200 -0.684 0.000 2.209 214 E HA -0.168 4.191 4.350 0.015 0.000 0.196 214 E C 2.115 178.228 176.600 -0.812 0.000 0.993 214 E CA 1.941 57.655 56.400 -1.143 0.000 0.819 214 E CB -1.768 26.922 29.700 -1.685 0.000 0.745 214 E HN 0.225 nan 8.360 nan 0.000 0.477 215 G N 0.489 108.877 108.800 -0.686 0.000 2.450 215 G HA2 -0.344 3.625 3.960 0.015 0.000 0.220 215 G HA3 -0.344 3.625 3.960 0.015 0.000 0.220 215 G C 1.454 175.498 174.900 -1.427 0.000 1.130 215 G CA 1.134 45.692 45.100 -0.903 0.000 0.760 215 G HN 0.468 nan 8.290 nan 0.000 0.557 216 H N 0.741 118.976 119.070 -1.392 0.000 2.267 216 H HA -0.119 4.446 4.556 0.015 0.000 0.297 216 H C 2.488 177.561 175.328 -0.426 0.000 1.080 216 H CA 2.188 57.738 56.048 -0.830 0.000 1.278 216 H CB -0.111 29.421 29.762 -0.384 0.000 1.365 216 H HN 0.371 nan 8.280 nan 0.000 0.489 217 E N 0.455 120.465 120.200 -0.318 0.000 2.051 217 E HA -0.125 4.234 4.350 0.015 0.000 0.192 217 E C 2.320 178.838 176.600 -0.138 0.000 0.991 217 E CA 1.597 57.903 56.400 -0.156 0.000 0.799 217 E CB -0.559 29.187 29.700 0.076 0.000 0.748 217 E HN 0.632 nan 8.360 nan 0.000 0.449 218 L N 0.740 121.860 121.223 -0.172 0.000 2.141 218 L HA -0.116 4.233 4.340 0.015 0.000 0.209 218 L C 2.552 179.351 176.870 -0.117 0.000 1.094 218 L CA 1.275 56.060 54.840 -0.091 0.000 0.763 218 L CB -0.674 41.336 42.059 -0.083 0.000 0.908 218 L HN 0.222 nan 8.230 nan 0.000 0.437 219 S N 0.246 115.819 115.700 -0.212 0.000 2.474 219 S HA -0.096 4.383 4.470 0.015 0.000 0.235 219 S C 1.168 175.714 174.600 -0.091 0.000 0.997 219 S CA 0.383 58.514 58.200 -0.114 0.000 0.949 219 S CB -0.048 63.119 63.200 -0.055 0.000 0.766 219 S HN 0.477 nan 8.310 nan 0.000 0.517 220 R N 1.401 121.822 120.500 -0.132 0.000 2.627 220 R HA 0.368 4.717 4.340 0.015 0.000 0.251 220 R C -3.009 173.253 176.300 -0.063 0.000 1.524 220 R CA -1.392 54.649 56.100 -0.099 0.000 1.606 220 R CB 1.200 31.400 30.300 -0.167 0.000 1.396 220 R HN 0.354 nan 8.270 nan 0.000 0.724 221 P HA -0.072 nan 4.420 nan 0.000 0.271 221 P C 0.257 177.560 177.300 0.005 0.000 1.244 221 P CA -0.013 63.084 63.100 -0.004 0.000 0.793 221 P CB 0.763 32.468 31.700 0.007 0.000 0.984 222 E N 0.205 120.414 120.200 0.015 0.000 2.265 222 E HA -0.144 4.215 4.350 0.015 0.000 0.196 222 E C 1.679 178.293 176.600 0.024 0.000 0.996 222 E CA 1.094 57.507 56.400 0.021 0.000 0.832 222 E CB -0.754 28.962 29.700 0.027 0.000 0.756 222 E HN 0.385 nan 8.360 nan 0.000 0.491 223 A N 1.659 124.492 122.820 0.022 0.000 2.070 223 A HA -0.059 4.270 4.320 0.015 0.000 0.220 223 A C 2.203 179.805 177.584 0.030 0.000 1.159 223 A CA 0.867 52.919 52.037 0.024 0.000 0.656 223 A CB -0.519 18.494 19.000 0.021 0.000 0.800 223 A HN 0.305 nan 8.150 nan 0.000 0.453 224 L N -1.138 120.104 121.223 0.031 0.000 2.240 224 L HA -0.079 4.270 4.340 0.015 0.000 0.211 224 L C 2.489 179.391 176.870 0.054 0.000 1.106 224 L CA 1.414 56.278 54.840 0.040 0.000 0.793 224 L CB -0.414 41.666 42.059 0.035 0.000 0.927 224 L HN 0.608 nan 8.230 nan 0.000 0.446 225 E N 0.954 121.184 120.200 0.049 0.000 2.076 225 E HA -0.146 4.213 4.350 0.015 0.000 0.190 225 E C 2.249 178.881 176.600 0.053 0.000 0.979 225 E CA 0.965 57.401 56.400 0.060 0.000 0.807 225 E CB 0.124 29.853 29.700 0.049 0.000 0.761 225 E HN 0.381 nan 8.360 nan 0.000 0.454 226 A N 1.528 124.372 122.820 0.041 0.000 1.930 226 A HA -0.172 4.157 4.320 0.015 0.000 0.217 226 A C 2.138 179.748 177.584 0.045 0.000 1.175 226 A CA 1.369 53.428 52.037 0.035 0.000 0.627 226 A CB -0.461 18.555 19.000 0.028 0.000 0.815 226 A HN 0.310 nan 8.150 nan 0.000 0.443 227 E N 0.631 120.859 120.200 0.046 0.000 2.031 227 E HA -0.146 4.213 4.350 0.015 0.000 0.193 227 E C 2.196 178.831 176.600 0.057 0.000 0.994 227 E CA 1.417 57.847 56.400 0.050 0.000 0.800 227 E CB -0.382 29.345 29.700 0.045 0.000 0.752 227 E HN 0.430 nan 8.360 nan 0.000 0.447 228 A N 0.279 123.139 122.820 0.065 0.000 1.972 228 A HA -0.129 4.200 4.320 0.015 0.000 0.219 228 A C 2.439 180.068 177.584 0.074 0.000 1.169 228 A CA 2.032 54.116 52.037 0.078 0.000 0.635 228 A CB -0.856 18.207 19.000 0.106 0.000 0.810 228 A HN 0.353 nan 8.150 nan 0.000 0.446 229 T N 0.268 114.859 114.554 0.062 0.000 2.708 229 T HA -0.163 4.196 4.350 0.015 0.000 0.266 229 T C 1.971 176.686 174.700 0.024 0.000 1.037 229 T CA 1.636 63.760 62.100 0.039 0.000 1.146 229 T CB -0.456 68.426 68.868 0.023 0.000 0.865 229 T HN 0.640 nan 8.240 nan 0.000 0.435 230 N N 0.903 119.636 118.700 0.054 0.000 2.094 230 N HA -0.138 4.611 4.740 0.015 0.000 0.191 230 N C 1.917 177.449 175.510 0.035 0.000 1.023 230 N CA 1.485 54.588 53.050 0.089 0.000 0.857 230 N CB -0.154 38.409 38.487 0.128 0.000 1.013 230 N HN 0.325 nan 8.380 nan 0.000 0.426 231 R N -0.285 120.241 120.500 0.044 0.000 2.075 231 R HA 0.044 4.393 4.340 0.015 0.000 0.232 231 R C 2.039 178.366 176.300 0.045 0.000 1.126 231 R CA 1.355 57.479 56.100 0.040 0.000 0.963 231 R CB -0.437 29.888 30.300 0.042 0.000 0.858 231 R HN 0.257 nan 8.270 nan 0.000 0.435 232 A N 0.941 123.802 122.820 0.069 0.000 1.933 232 A HA -0.135 4.194 4.320 0.015 0.000 0.218 232 A C 2.134 179.787 177.584 0.115 0.000 1.175 232 A CA 1.499 53.630 52.037 0.155 0.000 0.628 232 A CB -0.521 18.584 19.000 0.174 0.000 0.814 232 A HN 0.394 nan 8.150 nan 0.000 0.444 233 I N -0.747 119.783 120.570 -0.067 0.000 2.315 233 I HA -0.170 4.009 4.170 0.015 0.000 0.248 233 I C 2.285 178.278 176.117 -0.206 0.000 1.117 233 I CA 0.827 61.989 61.300 -0.231 0.000 1.404 233 I CB -0.341 37.344 38.000 -0.526 0.000 1.071 233 I HN 0.133 nan 8.210 nan 0.000 0.419 234 V N 1.321 121.145 119.914 -0.150 0.000 2.343 234 V HA -0.268 3.861 4.120 0.015 0.000 0.247 234 V C 2.329 178.442 176.094 0.032 0.000 1.051 234 V CA 1.871 64.145 62.300 -0.042 0.000 1.036 234 V CB -0.336 31.500 31.823 0.021 0.000 0.654 234 V HN 0.326 nan 8.190 nan 0.000 0.451 235 I N 0.262 120.885 120.570 0.089 0.000 2.202 235 I HA -0.211 3.968 4.170 0.015 0.000 0.242 235 I C 2.653 178.928 176.117 0.263 0.000 1.091 235 I CA 1.457 62.865 61.300 0.179 0.000 1.368 235 I CB -0.593 37.514 38.000 0.177 0.000 1.058 235 I HN 0.283 nan 8.210 nan 0.000 0.410 236 A N 0.329 123.296 122.820 0.245 0.000 1.902 236 A HA -0.291 4.037 4.320 0.015 0.000 0.217 236 A C 1.992 179.560 177.584 -0.027 0.000 1.181 236 A CA 2.281 54.340 52.037 0.036 0.000 0.623 236 A CB -0.693 18.140 19.000 -0.277 0.000 0.818 236 A HN 0.437 nan 8.150 nan 0.000 0.443 237 D N -0.854 119.524 120.400 -0.036 0.000 2.178 237 D HA -0.119 4.530 4.640 0.015 0.000 0.201 237 D C 2.148 178.459 176.300 0.017 0.000 0.980 237 D CA 1.495 55.475 54.000 -0.034 0.000 0.842 237 D CB -0.062 40.713 40.800 -0.041 0.000 0.948 237 D HN 0.340 nan 8.370 nan 0.000 0.472 238 S N -1.130 114.606 115.700 0.061 0.000 2.355 238 S HA -0.108 4.371 4.470 0.015 0.000 0.222 238 S C 2.045 176.713 174.600 0.113 0.000 1.031 238 S CA 1.279 59.535 58.200 0.093 0.000 0.993 238 S CB -0.388 62.887 63.200 0.125 0.000 0.859 238 S HN 0.157 nan 8.310 nan 0.000 0.453 239 V N 0.374 120.363 119.914 0.126 0.000 2.626 239 V HA -0.052 4.077 4.120 0.015 0.000 0.252 239 V C 1.553 177.669 176.094 0.036 0.000 1.067 239 V CA 0.913 63.255 62.300 0.070 0.000 1.081 239 V CB -1.319 30.529 31.823 0.042 0.000 0.686 239 V HN 0.805 nan 8.190 nan 0.000 0.468 240 C N 1.021 120.328 119.300 0.013 0.000 4.024 240 C HA -0.125 4.344 4.460 0.015 0.000 0.310 240 C C 0.418 175.384 174.990 -0.040 0.000 1.182 240 C CA 0.700 59.711 59.018 -0.013 0.000 2.238 240 C CB -2.280 25.470 27.740 0.016 0.000 1.361 240 C HN 0.754 nan 8.230 nan 0.000 0.626 241 T N 3.737 118.221 114.554 -0.117 0.000 2.889 241 T HA 0.695 5.054 4.350 0.015 0.000 0.315 241 T C -2.859 171.644 174.700 -0.330 0.000 1.291 241 T CA -0.685 61.289 62.100 -0.210 0.000 1.028 241 T CB 2.093 70.900 68.868 -0.102 0.000 1.235 241 T HN 0.299 nan 8.240 nan 0.000 0.491 242 P HA 0.309 nan 4.420 nan 0.000 0.271 242 P C -0.873 176.263 177.300 -0.273 0.000 1.220 242 P CA -0.206 62.699 63.100 -0.325 0.000 0.768 242 P CB 0.881 32.353 31.700 -0.380 0.000 0.848 243 V N 5.030 124.824 119.914 -0.201 0.000 2.815 243 V HA 0.544 4.673 4.120 0.015 0.000 0.314 243 V C -1.612 174.508 176.094 0.043 0.000 1.064 243 V CA -0.901 61.274 62.300 -0.208 0.000 0.952 243 V CB 1.872 33.481 31.823 -0.357 0.000 1.020 243 V HN 0.478 nan 8.190 nan 0.000 0.439 244 Y N 6.230 126.480 120.300 -0.084 0.000 2.331 244 Y HA 0.582 5.140 4.550 0.014 0.000 0.326 244 Y C -0.633 175.254 175.900 -0.021 0.000 1.020 244 Y CA -1.149 56.944 58.100 -0.011 0.000 1.136 244 Y CB 1.369 39.799 38.460 -0.050 0.000 1.157 244 Y HN 0.494 nan 8.280 nan 0.000 0.444 245 I N 8.406 128.890 120.570 -0.143 0.000 2.301 245 I HA 0.195 4.374 4.170 0.015 0.000 0.292 245 I C 0.352 176.371 176.117 -0.164 0.000 1.046 245 I CA -0.585 60.651 61.300 -0.106 0.000 1.282 245 I CB 0.272 38.206 38.000 -0.110 0.000 1.409 245 I HN 0.464 nan 8.210 nan 0.000 0.484 246 V N 4.496 124.364 119.914 -0.076 0.000 2.953 246 V HA 0.299 4.428 4.120 0.015 0.000 0.304 246 V C 0.455 176.345 176.094 -0.341 0.000 1.073 246 V CA -0.548 61.691 62.300 -0.102 0.000 1.064 246 V CB 0.325 32.069 31.823 -0.131 0.000 1.047 246 V HN 1.011 nan 8.190 nan 0.000 0.478 247 H N 0.401 119.560 119.070 0.150 0.000 2.133 247 H HA -0.127 4.438 4.556 0.014 0.000 0.319 247 H C -0.374 174.947 175.328 -0.011 0.000 0.911 247 H CA 0.397 56.463 56.048 0.029 0.000 1.058 247 H CB -2.690 27.046 29.762 -0.044 0.000 1.594 247 H HN 0.667 nan 8.280 nan 0.000 0.331 248 V N 2.441 122.414 119.914 0.099 0.000 2.403 248 V HA -0.029 4.100 4.120 0.015 0.000 0.265 248 V C 1.335 177.473 176.094 0.074 0.000 1.034 248 V CA 0.334 62.667 62.300 0.055 0.000 1.036 248 V CB 1.101 32.914 31.823 -0.017 0.000 1.032 248 V HN 0.755 nan 8.190 nan 0.000 0.478 249 Q N 2.354 122.199 119.800 0.075 0.000 2.352 249 Q HA 0.152 4.501 4.340 0.015 0.000 0.212 249 Q C 0.858 176.898 176.000 0.067 0.000 0.888 249 Q CA 0.231 56.078 55.803 0.073 0.000 0.934 249 Q CB 1.229 30.000 28.738 0.054 0.000 1.093 249 Q HN 0.817 nan 8.270 nan 0.000 0.523 250 S N -0.977 114.755 115.700 0.054 0.000 2.568 250 S HA 0.377 4.856 4.470 0.015 0.000 0.293 250 S C 0.939 175.571 174.600 0.053 0.000 1.089 250 S CA -0.705 57.526 58.200 0.052 0.000 0.945 250 S CB 1.161 64.386 63.200 0.041 0.000 1.077 250 S HN -0.107 nan 8.310 nan 0.000 0.485 251 I N 2.318 122.930 120.570 0.070 0.000 2.163 251 I HA -0.027 4.152 4.170 0.015 0.000 0.243 251 I C 2.716 178.871 176.117 0.064 0.000 1.085 251 I CA 2.079 63.439 61.300 0.100 0.000 1.347 251 I CB -2.279 35.780 38.000 0.097 0.000 1.044 251 I HN 0.958 nan 8.210 nan 0.000 0.408 252 G N 0.617 109.441 108.800 0.041 0.000 2.476 252 G HA2 -0.241 3.728 3.960 0.015 0.000 0.218 252 G HA3 -0.241 3.728 3.960 0.015 0.000 0.218 252 G C 1.822 176.722 174.900 -0.000 0.000 1.164 252 G CA 1.302 46.416 45.100 0.024 0.000 0.768 252 G HN 0.526 nan 8.290 nan 0.000 0.560 253 A N 0.915 123.732 122.820 -0.006 0.000 1.929 253 A HA 0.387 4.716 4.320 0.015 0.000 0.216 253 A C 2.806 180.333 177.584 -0.095 0.000 1.176 253 A CA 2.008 54.030 52.037 -0.025 0.000 0.628 253 A CB -0.684 18.313 19.000 -0.005 0.000 0.816 253 A HN 0.785 nan 8.150 nan 0.000 0.444 254 A N 0.310 123.045 122.820 -0.141 0.000 1.902 254 A HA -0.190 4.139 4.320 0.015 0.000 0.217 254 A C 1.752 178.999 177.584 -0.560 0.000 1.181 254 A CA 1.911 53.717 52.037 -0.384 0.000 0.623 254 A CB -0.588 18.183 19.000 -0.383 0.000 0.818 254 A HN 0.447 nan 8.150 nan 0.000 0.443 255 D N -0.247 119.994 120.400 -0.266 0.000 2.117 255 D HA -0.111 4.538 4.640 0.015 0.000 0.197 255 D C 2.065 178.305 176.300 -0.100 0.000 0.987 255 D CA 1.397 55.332 54.000 -0.109 0.000 0.829 255 D CB -0.572 40.246 40.800 0.031 0.000 0.961 255 D HN 0.194 nan 8.370 nan 0.000 0.460 256 V N 1.268 121.142 119.914 -0.067 0.000 2.287 256 V HA -0.241 3.888 4.120 0.015 0.000 0.248 256 V C 2.528 178.644 176.094 0.036 0.000 1.053 256 V CA 1.229 63.528 62.300 -0.002 0.000 1.027 256 V CB -0.371 31.484 31.823 0.053 0.000 0.646 256 V HN 0.207 nan 8.190 nan 0.000 0.447 257 I N -0.537 119.999 120.570 -0.057 0.000 2.226 257 I HA -0.314 3.865 4.170 0.015 0.000 0.245 257 I C 2.707 178.766 176.117 -0.098 0.000 1.100 257 I CA 1.771 63.021 61.300 -0.082 0.000 1.374 257 I CB -0.540 37.355 38.000 -0.176 0.000 1.057 257 I HN 0.501 nan 8.210 nan 0.000 0.413 258 C N 1.529 120.725 119.300 -0.173 0.000 2.432 258 C HA -0.205 4.264 4.460 0.015 0.000 0.277 258 C C 2.972 177.936 174.990 -0.043 0.000 1.249 258 C CA 1.419 60.382 59.018 -0.092 0.000 1.725 258 C CB -0.888 26.836 27.740 -0.027 0.000 2.028 258 C HN 0.469 nan 8.230 nan 0.000 0.477 259 K N -0.544 119.817 120.400 -0.064 0.000 2.001 259 K HA -0.252 4.077 4.320 0.015 0.000 0.214 259 K C 2.148 178.667 176.600 -0.136 0.000 1.050 259 K CA 2.205 58.424 56.287 -0.114 0.000 0.934 259 K CB -0.694 31.694 32.500 -0.188 0.000 0.718 259 K HN 0.684 nan 8.250 nan 0.000 0.443 260 H N 0.209 119.241 119.070 -0.064 0.000 2.353 260 H HA -0.064 4.501 4.556 0.015 0.000 0.300 260 H C 2.410 177.685 175.328 -0.088 0.000 1.090 260 H CA 1.554 57.560 56.048 -0.071 0.000 1.327 260 H CB -0.019 29.695 29.762 -0.080 0.000 1.383 260 H HN 0.281 nan 8.280 nan 0.000 0.508 261 R N 0.848 121.357 120.500 0.015 0.000 2.081 261 R HA -0.120 4.229 4.340 0.015 0.000 0.235 261 R C 2.423 178.694 176.300 -0.048 0.000 1.131 261 R CA 0.997 57.061 56.100 -0.059 0.000 0.960 261 R CB -0.111 30.131 30.300 -0.096 0.000 0.856 261 R HN 0.221 nan 8.270 nan 0.000 0.436 262 K N 1.197 121.577 120.400 -0.034 0.000 2.089 262 K HA -0.202 4.127 4.320 0.015 0.000 0.210 262 K C 1.349 177.932 176.600 -0.029 0.000 1.048 262 K CA 1.762 58.032 56.287 -0.029 0.000 0.926 262 K CB 0.075 32.559 32.500 -0.027 0.000 0.714 262 K HN 0.262 nan 8.250 nan 0.000 0.448 263 E N -1.371 118.813 120.200 -0.027 0.000 2.502 263 E HA 0.021 4.380 4.350 0.015 0.000 0.194 263 E C 0.721 177.309 176.600 -0.019 0.000 1.062 263 E CA 0.424 56.812 56.400 -0.020 0.000 0.867 263 E CB 0.415 30.106 29.700 -0.015 0.000 0.888 263 E HN 0.592 nan 8.360 nan 0.000 0.510 264 G N 1.053 109.834 108.800 -0.032 0.000 2.159 264 G HA2 -0.257 3.712 3.960 0.015 0.000 0.227 264 G HA3 -0.257 3.712 3.960 0.015 0.000 0.227 264 G C 0.390 175.252 174.900 -0.065 0.000 0.986 264 G CA -0.016 45.055 45.100 -0.048 0.000 0.651 264 G HN 0.153 nan 8.290 nan 0.000 0.523 265 V N 0.657 120.539 119.914 -0.054 0.000 2.740 265 V HA 0.346 4.475 4.120 0.015 0.000 0.303 265 V C 1.327 177.320 176.094 -0.168 0.000 1.054 265 V CA 0.188 62.439 62.300 -0.081 0.000 1.106 265 V CB 1.293 33.093 31.823 -0.039 0.000 0.957 265 V HN 0.395 nan 8.190 nan 0.000 0.486 266 R N 4.009 124.390 120.500 -0.198 0.000 3.266 266 R HA 0.412 4.761 4.340 0.015 0.000 0.224 266 R C -0.924 175.163 176.300 -0.355 0.000 1.525 266 R CA 0.100 56.024 56.100 -0.293 0.000 1.364 266 R CB 0.111 30.281 30.300 -0.217 0.000 1.276 266 R HN 0.524 nan 8.270 nan 0.000 0.660 267 V N 4.679 124.314 119.914 -0.465 0.000 2.656 267 V HA 0.578 4.707 4.120 0.015 0.000 0.307 267 V C -1.557 174.179 176.094 -0.596 0.000 1.051 267 V CA -0.760 61.309 62.300 -0.385 0.000 0.893 267 V CB 1.465 33.137 31.823 -0.252 0.000 0.999 267 V HN 0.597 nan 8.190 nan 0.000 0.426 268 Y N 3.506 123.694 120.300 -0.187 0.000 2.509 268 Y HA 0.878 5.437 4.550 0.014 0.000 0.341 268 Y C 0.666 176.328 175.900 -0.397 0.000 1.038 268 Y CA -0.358 57.593 58.100 -0.248 0.000 1.089 268 Y CB 2.517 40.860 38.460 -0.195 0.000 1.241 268 Y HN 0.822 nan 8.280 nan 0.000 0.468 269 G N 0.637 109.280 108.800 -0.261 0.000 2.638 269 G HA2 0.519 4.488 3.960 0.015 0.000 0.302 269 G HA3 0.519 4.488 3.960 0.015 0.000 0.302 269 G C -1.860 172.850 174.900 -0.317 0.000 1.365 269 G CA -0.760 44.150 45.100 -0.316 0.000 0.987 269 G HN 0.537 nan 8.290 nan 0.000 0.495 270 E N 2.773 122.802 120.200 -0.286 0.000 2.331 270 E HA 0.352 4.711 4.350 0.015 0.000 0.243 270 E C -2.506 174.103 176.600 0.016 0.000 0.925 270 E CA -2.019 54.316 56.400 -0.108 0.000 0.760 270 E CB 2.649 32.323 29.700 -0.042 0.000 1.254 270 E HN 0.282 nan 8.360 nan 0.000 0.419 271 P HA 0.201 nan 4.420 nan 0.000 0.274 271 P C -0.093 177.277 177.300 0.116 0.000 1.256 271 P CA -0.179 62.970 63.100 0.082 0.000 0.795 271 P CB 0.991 32.740 31.700 0.082 0.000 1.038 272 I N -4.278 116.369 120.570 0.129 0.000 3.002 272 I HA 0.683 4.862 4.170 0.015 0.000 0.310 272 I C 1.202 177.418 176.117 0.165 0.000 1.087 272 I CA -1.279 60.105 61.300 0.140 0.000 1.017 272 I CB 1.547 39.618 38.000 0.119 0.000 1.226 272 I HN 0.234 nan 8.210 nan 0.000 0.443 273 A N 2.760 125.695 122.820 0.191 0.000 1.940 273 A HA -0.071 4.258 4.320 0.015 0.000 0.219 273 A C 2.297 180.118 177.584 0.394 0.000 1.176 273 A CA 2.308 54.487 52.037 0.237 0.000 0.631 273 A CB -1.153 17.981 19.000 0.225 0.000 0.814 273 A HN 1.072 nan 8.150 nan 0.000 0.446 274 A N -0.569 122.483 122.820 0.387 0.000 1.902 274 A HA 0.093 4.422 4.320 0.015 0.000 0.217 274 A C 2.403 180.145 177.584 0.264 0.000 1.181 274 A CA 1.960 54.183 52.037 0.310 0.000 0.623 274 A CB -1.351 17.712 19.000 0.106 0.000 0.818 274 A HN 0.781 nan 8.150 nan 0.000 0.443 275 G N -0.696 108.225 108.800 0.202 0.000 2.443 275 G HA2 -0.030 3.939 3.960 0.015 0.000 0.219 275 G HA3 -0.030 3.939 3.960 0.015 0.000 0.219 275 G C 1.412 176.419 174.900 0.177 0.000 1.131 275 G CA 0.874 46.076 45.100 0.170 0.000 0.775 275 G HN 0.441 nan 8.290 nan 0.000 0.547 276 L N 0.080 121.418 121.223 0.192 0.000 2.446 276 L HA 0.240 4.589 4.340 0.015 0.000 0.219 276 L C 2.591 179.577 176.870 0.192 0.000 1.116 276 L CA 0.668 55.608 54.840 0.168 0.000 0.844 276 L CB 0.277 42.421 42.059 0.142 0.000 0.970 276 L HN 0.318 nan 8.230 nan 0.000 0.457 277 G N -0.648 108.323 108.800 0.286 0.000 2.728 277 G HA2 0.290 4.259 3.960 0.015 0.000 0.203 277 G HA3 0.290 4.259 3.960 0.015 0.000 0.203 277 G C 0.261 175.399 174.900 0.396 0.000 1.073 277 G CA 0.737 46.052 45.100 0.358 0.000 0.778 277 G HN 0.095 nan 8.290 nan 0.000 0.553 278 V N -0.963 119.170 119.914 0.365 0.000 3.181 278 V HA 0.767 4.896 4.120 0.015 0.000 0.308 278 V C -1.912 174.351 176.094 0.281 0.000 1.214 278 V CA -0.861 61.647 62.300 0.347 0.000 1.053 278 V CB 2.130 34.193 31.823 0.399 0.000 1.069 278 V HN 0.174 nan 8.190 nan 0.000 0.441 279 D N 0.475 121.036 120.400 0.268 0.000 2.414 279 D HA 0.581 5.230 4.640 0.015 0.000 0.241 279 D C 0.824 177.234 176.300 0.182 0.000 1.008 279 D CA -0.080 54.021 54.000 0.168 0.000 1.001 279 D CB 1.551 42.392 40.800 0.067 0.000 1.277 279 D HN 0.879 nan 8.370 nan 0.000 0.538 280 G N -1.124 107.757 108.800 0.135 0.000 2.920 280 G HA2 -0.051 3.918 3.960 0.015 0.000 0.208 280 G HA3 -0.051 3.918 3.960 0.015 0.000 0.208 280 G C 1.118 176.139 174.900 0.201 0.000 1.159 280 G CA 0.550 45.764 45.100 0.191 0.000 0.784 280 G HN 0.538 nan 8.290 nan 0.000 0.535 281 S N -0.045 115.653 115.700 -0.002 0.000 2.469 281 S HA -0.131 4.348 4.470 0.015 0.000 0.238 281 S C 1.741 176.306 174.600 -0.058 0.000 0.998 281 S CA 1.038 59.194 58.200 -0.074 0.000 0.957 281 S CB -0.555 62.494 63.200 -0.250 0.000 0.764 281 S HN 0.570 nan 8.310 nan 0.000 0.514 282 H N 0.739 119.754 119.070 -0.093 0.000 2.521 282 H HA 0.230 4.794 4.556 0.015 0.000 0.286 282 H C 1.895 177.135 175.328 -0.146 0.000 1.034 282 H CA 1.461 57.340 56.048 -0.281 0.000 1.278 282 H CB -0.306 28.784 29.762 -1.121 0.000 1.386 282 H HN 0.396 nan 8.280 nan 0.000 0.567 283 M N -0.942 118.705 119.600 0.079 0.000 2.476 283 M HA -0.131 4.358 4.480 0.015 0.000 0.262 283 M C 0.864 177.035 176.300 -0.215 0.000 1.079 283 M CA 0.941 56.186 55.300 -0.092 0.000 1.104 283 M CB 0.233 32.720 32.600 -0.189 0.000 1.409 283 M HN 0.456 nan 8.290 nan 0.000 0.467 284 W N 0.706 121.925 121.300 -0.136 0.000 3.316 284 W HA 0.143 4.812 4.660 0.015 0.000 0.327 284 W C 0.703 177.115 176.519 -0.179 0.000 1.232 284 W CA -0.475 56.775 57.345 -0.159 0.000 1.805 284 W CB -0.205 29.166 29.460 -0.147 0.000 1.090 284 W HN 0.146 nan 8.180 nan 0.000 0.654 285 N N 1.121 119.853 118.700 0.054 0.000 2.412 285 N HA -0.106 4.643 4.740 0.015 0.000 0.254 285 N C 0.707 176.221 175.510 0.007 0.000 1.232 285 N CA 0.783 53.858 53.050 0.043 0.000 0.880 285 N CB 0.738 39.251 38.487 0.043 0.000 1.076 285 N HN 0.103 nan 8.380 nan 0.000 0.458 286 H N 0.627 119.714 119.070 0.028 0.000 2.456 286 H HA -0.048 4.517 4.556 0.015 0.000 0.296 286 H C 0.072 175.442 175.328 0.071 0.000 1.079 286 H CA 0.888 56.964 56.048 0.047 0.000 1.322 286 H CB 0.057 29.843 29.762 0.039 0.000 1.388 286 H HN 0.533 nan 8.280 nan 0.000 0.538 287 D N -0.483 120.019 120.400 0.170 0.000 2.339 287 D HA -0.107 4.542 4.640 0.015 0.000 0.256 287 D C 0.512 176.915 176.300 0.171 0.000 1.214 287 D CA -0.251 53.853 54.000 0.174 0.000 0.877 287 D CB 0.388 41.285 40.800 0.163 0.000 1.111 287 D HN 0.369 nan 8.370 nan 0.000 0.478 288 W N 5.756 127.083 121.300 0.045 0.000 2.338 288 W HA -0.182 4.486 4.660 0.014 0.000 0.304 288 W C 2.304 178.825 176.519 0.004 0.000 1.212 288 W CA 0.924 58.276 57.345 0.011 0.000 1.264 288 W CB 0.099 29.557 29.460 -0.003 0.000 1.142 288 W HN 0.446 nan 8.180 nan 0.000 0.512 289 R N -0.341 120.333 120.500 0.289 0.000 2.073 289 R HA -0.232 4.117 4.340 0.015 0.000 0.234 289 R C 2.339 178.535 176.300 -0.174 0.000 1.134 289 R CA 2.133 58.300 56.100 0.113 0.000 0.952 289 R CB -1.605 28.792 30.300 0.160 0.000 0.850 289 R HN 0.357 nan 8.270 nan 0.000 0.433 290 H N 0.194 119.196 119.070 -0.114 0.000 2.321 290 H HA -0.069 4.496 4.556 0.015 0.000 0.300 290 H C 1.687 176.960 175.328 -0.091 0.000 1.087 290 H CA 1.932 57.943 56.048 -0.062 0.000 1.319 290 H CB 0.034 29.880 29.762 0.140 0.000 1.379 290 H HN 0.309 nan 8.280 nan 0.000 0.501 291 A N 1.239 124.042 122.820 -0.028 0.000 1.865 291 A HA -0.137 4.192 4.320 0.015 0.000 0.217 291 A C 2.731 180.101 177.584 -0.356 0.000 1.191 291 A CA 2.222 54.150 52.037 -0.182 0.000 0.623 291 A CB -1.263 17.556 19.000 -0.300 0.000 0.826 291 A HN 0.551 nan 8.150 nan 0.000 0.444 292 A N -0.394 121.992 122.820 -0.723 0.000 2.024 292 A HA 0.163 4.492 4.320 0.015 0.000 0.220 292 A C 2.368 179.673 177.584 -0.465 0.000 1.164 292 A CA 1.939 53.504 52.037 -0.787 0.000 0.643 292 A CB -0.868 17.256 19.000 -1.460 0.000 0.806 292 A HN 1.155 nan 8.150 nan 0.000 0.451 293 A N -1.769 120.778 122.820 -0.454 0.000 2.121 293 A HA 0.110 4.439 4.320 0.015 0.000 0.218 293 A C 1.491 178.873 177.584 -0.337 0.000 1.154 293 A CA 1.036 52.766 52.037 -0.512 0.000 0.679 293 A CB -0.566 17.721 19.000 -1.189 0.000 0.795 293 A HN 0.465 nan 8.150 nan 0.000 0.458 294 F N -0.845 118.922 119.950 -0.305 0.000 2.727 294 F HA 0.205 4.740 4.527 0.014 0.000 0.302 294 F C 0.633 176.335 175.800 -0.163 0.000 1.097 294 F CA -0.366 57.525 58.000 -0.181 0.000 1.330 294 F CB 0.230 39.170 39.000 -0.100 0.000 1.084 294 F HN -0.170 nan 8.300 nan 0.000 0.578 295 V N 3.851 123.701 119.914 -0.107 0.000 2.521 295 V HA 0.219 4.347 4.120 0.015 0.000 0.286 295 V C 0.194 176.172 176.094 -0.194 0.000 1.034 295 V CA 0.199 62.356 62.300 -0.238 0.000 1.045 295 V CB 0.251 31.811 31.823 -0.439 0.000 0.974 295 V HN 0.331 nan 8.190 nan 0.000 0.480 296 M N 3.975 123.512 119.600 -0.107 0.000 3.008 296 M HA 0.898 5.387 4.480 0.015 0.000 0.271 296 M C -0.503 175.888 176.300 0.152 0.000 1.265 296 M CA -0.702 54.588 55.300 -0.017 0.000 0.817 296 M CB 2.317 34.908 32.600 -0.016 0.000 1.638 296 M HN 0.510 nan 8.290 nan 0.000 0.479 297 G N 1.045 109.912 108.800 0.111 0.000 2.666 297 G HA2 0.716 4.685 3.960 0.015 0.000 0.303 297 G HA3 0.716 4.685 3.960 0.015 0.000 0.303 297 G C -3.254 171.563 174.900 -0.139 0.000 1.412 297 G CA -1.491 43.686 45.100 0.128 0.000 0.979 297 G HN 0.494 nan 8.290 nan 0.000 0.507 298 P HA 0.211 nan 4.420 nan 0.000 0.270 298 P C -2.612 174.687 177.300 -0.002 0.000 1.223 298 P CA -1.183 61.879 63.100 -0.064 0.000 0.785 298 P CB 0.361 32.020 31.700 -0.068 0.000 0.923 299 P HA 0.151 nan 4.420 nan 0.000 0.272 299 P C 0.079 177.434 177.300 0.091 0.000 1.223 299 P CA 0.084 63.252 63.100 0.112 0.000 0.784 299 P CB 0.195 31.948 31.700 0.088 0.000 0.923 300 I N 2.284 122.930 120.570 0.126 0.000 2.618 300 I HA 0.039 4.218 4.170 0.015 0.000 0.284 300 I C 1.245 177.446 176.117 0.141 0.000 1.146 300 I CA 0.044 61.428 61.300 0.140 0.000 1.425 300 I CB 0.107 38.224 38.000 0.195 0.000 1.383 300 I HN 0.098 nan 8.210 nan 0.000 0.562 301 R N 8.098 128.667 120.500 0.114 0.000 2.357 301 R HA 0.247 4.596 4.340 0.015 0.000 0.296 301 R C -1.662 174.683 176.300 0.075 0.000 1.052 301 R CA -2.303 53.852 56.100 0.090 0.000 0.988 301 R CB 0.420 30.759 30.300 0.066 0.000 1.025 301 R HN 0.379 nan 8.270 nan 0.000 0.469 302 P HA -0.067 nan 4.420 nan 0.000 0.231 302 P C 0.049 177.302 177.300 -0.078 0.000 1.168 302 P CA 0.329 63.399 63.100 -0.050 0.000 0.779 302 P CB 0.201 31.788 31.700 -0.188 0.000 0.844 303 D N 1.655 122.031 120.400 -0.040 0.000 2.451 303 D HA -0.022 4.627 4.640 0.015 0.000 0.254 303 D C -1.420 174.870 176.300 -0.016 0.000 1.204 303 D CA -1.559 52.421 54.000 -0.034 0.000 0.896 303 D CB 0.764 41.558 40.800 -0.009 0.000 1.136 303 D HN 0.034 nan 8.370 nan 0.000 0.499 304 P HA -0.074 nan 4.420 nan 0.000 0.220 304 P C 1.074 178.379 177.300 0.009 0.000 1.148 304 P CA 0.905 63.996 63.100 -0.014 0.000 0.803 304 P CB 0.199 31.880 31.700 -0.031 0.000 0.782 305 R N -1.265 119.239 120.500 0.007 0.000 2.280 305 R HA 0.007 4.356 4.340 0.015 0.000 0.207 305 R C 1.848 178.168 176.300 0.034 0.000 1.043 305 R CA 1.030 57.139 56.100 0.015 0.000 1.006 305 R CB -0.844 29.460 30.300 0.008 0.000 0.885 305 R HN 0.220 nan 8.270 nan 0.000 0.467 306 T N 1.745 116.325 114.554 0.044 0.000 2.652 306 T HA -0.218 4.141 4.350 0.015 0.000 0.267 306 T C 1.745 176.494 174.700 0.082 0.000 1.039 306 T CA 1.935 64.075 62.100 0.066 0.000 1.153 306 T CB -0.078 68.832 68.868 0.069 0.000 0.863 306 T HN 0.463 nan 8.240 nan 0.000 0.428 307 K N 1.084 121.536 120.400 0.086 0.000 2.148 307 K HA 0.045 4.374 4.320 0.015 0.000 0.204 307 K C 2.544 179.194 176.600 0.083 0.000 1.050 307 K CA 1.434 57.781 56.287 0.101 0.000 0.942 307 K CB -0.682 31.891 32.500 0.121 0.000 0.724 307 K HN 0.326 nan 8.250 nan 0.000 0.446 308 G N 1.493 110.329 108.800 0.061 0.000 2.418 308 G HA2 -0.175 3.794 3.960 0.015 0.000 0.217 308 G HA3 -0.175 3.794 3.960 0.015 0.000 0.217 308 G C 1.551 176.463 174.900 0.021 0.000 1.158 308 G CA 0.813 45.935 45.100 0.036 0.000 0.771 308 G HN 0.171 nan 8.290 nan 0.000 0.545 309 V N 0.911 120.842 119.914 0.029 0.000 2.453 309 V HA -0.060 4.069 4.120 0.015 0.000 0.247 309 V C 2.893 179.048 176.094 0.102 0.000 1.048 309 V CA 1.124 63.431 62.300 0.011 0.000 1.049 309 V CB -0.358 31.494 31.823 0.049 0.000 0.672 309 V HN 0.331 nan 8.190 nan 0.000 0.457 310 L N -1.084 120.233 121.223 0.157 0.000 2.042 310 L HA -0.253 4.096 4.340 0.015 0.000 0.210 310 L C 2.504 179.466 176.870 0.153 0.000 1.076 310 L CA 1.885 56.842 54.840 0.194 0.000 0.749 310 L CB -0.507 41.637 42.059 0.142 0.000 0.893 310 L HN 0.380 nan 8.230 nan 0.000 0.432 311 M N -0.012 119.645 119.600 0.094 0.000 2.200 311 M HA -0.161 4.328 4.480 0.015 0.000 0.265 311 M C 1.632 177.953 176.300 0.035 0.000 1.066 311 M CA 1.667 57.008 55.300 0.067 0.000 1.127 311 M CB -0.390 32.241 32.600 0.053 0.000 1.379 311 M HN 0.076 nan 8.290 nan 0.000 0.420 312 D N -0.702 119.689 120.400 -0.016 0.000 2.106 312 D HA -0.218 4.431 4.640 0.015 0.000 0.191 312 D C 1.880 178.130 176.300 -0.085 0.000 0.997 312 D CA 1.728 55.669 54.000 -0.098 0.000 0.834 312 D CB -0.592 40.076 40.800 -0.220 0.000 0.956 312 D HN 0.421 nan 8.370 nan 0.000 0.448 313 Y N 0.304 120.606 120.300 0.003 0.000 2.224 313 Y HA -0.094 4.466 4.550 0.016 0.000 0.289 313 Y C 2.221 178.119 175.900 -0.004 0.000 1.146 313 Y CA 0.331 58.429 58.100 -0.003 0.000 1.182 313 Y CB -0.618 37.840 38.460 -0.004 0.000 0.983 313 Y HN -0.043 nan 8.280 nan 0.000 0.524 314 L N 0.060 121.382 121.223 0.166 0.000 1.989 314 L HA -0.186 4.163 4.340 0.015 0.000 0.211 314 L C 2.452 179.359 176.870 0.063 0.000 1.071 314 L CA 2.084 56.980 54.840 0.094 0.000 0.749 314 L CB -1.189 40.916 42.059 0.077 0.000 0.890 314 L HN 0.143 nan 8.230 nan 0.000 0.431 315 A N -0.801 122.047 122.820 0.046 0.000 1.917 315 A HA -0.230 4.099 4.320 0.015 0.000 0.219 315 A C 2.287 179.886 177.584 0.025 0.000 1.182 315 A CA 1.697 53.749 52.037 0.025 0.000 0.633 315 A CB -0.565 18.438 19.000 0.004 0.000 0.819 315 A HN 0.422 nan 8.150 nan 0.000 0.448 316 R N -1.489 119.030 120.500 0.032 0.000 2.189 316 R HA 0.013 4.362 4.340 0.015 0.000 0.218 316 R C 1.565 177.890 176.300 0.042 0.000 1.074 316 R CA 0.868 56.988 56.100 0.034 0.000 0.991 316 R CB -1.011 29.318 30.300 0.048 0.000 0.883 316 R HN 0.997 nan 8.270 nan 0.000 0.457 317 G N 0.780 109.610 108.800 0.050 0.000 2.141 317 G HA2 -0.232 3.737 3.960 0.015 0.000 0.242 317 G HA3 -0.232 3.737 3.960 0.015 0.000 0.242 317 G C 0.455 175.372 174.900 0.027 0.000 0.982 317 G CA 0.460 45.581 45.100 0.035 0.000 0.662 317 G HN 0.289 nan 8.290 nan 0.000 0.527 318 D N -0.248 120.192 120.400 0.066 0.000 2.289 318 D HA 0.129 4.778 4.640 0.015 0.000 0.207 318 D C 1.351 177.631 176.300 -0.033 0.000 0.966 318 D CA 0.664 54.683 54.000 0.031 0.000 0.868 318 D CB 0.392 41.278 40.800 0.144 0.000 0.943 318 D HN 0.443 nan 8.370 nan 0.000 0.514 319 L N 0.290 121.525 121.223 0.020 0.000 2.342 319 L HA 0.239 4.588 4.340 0.015 0.000 0.271 319 L C 0.435 177.311 176.870 0.012 0.000 1.008 319 L CA -0.606 54.227 54.840 -0.013 0.000 0.818 319 L CB 2.218 44.286 42.059 0.016 0.000 1.296 319 L HN -0.314 nan 8.230 nan 0.000 0.427 320 D N -0.207 120.194 120.400 0.000 0.000 2.566 320 D HA 0.091 4.740 4.640 0.015 0.000 0.253 320 D C -0.038 176.284 176.300 0.037 0.000 0.992 320 D CA 0.568 54.589 54.000 0.035 0.000 0.940 320 D CB 0.487 41.335 40.800 0.081 0.000 1.095 320 D HN 0.613 nan 8.370 nan 0.000 0.480 321 C N -0.897 118.433 119.300 0.050 0.000 3.173 321 C HA 0.780 5.249 4.460 0.015 0.000 0.310 321 C C -0.707 174.341 174.990 0.097 0.000 1.306 321 C CA -1.240 57.824 59.018 0.077 0.000 1.426 321 C CB 1.059 28.883 27.740 0.140 0.000 1.800 321 C HN -0.014 nan 8.230 nan 0.000 0.470 322 V N 2.199 122.164 119.914 0.084 0.000 2.394 322 V HA 0.764 4.893 4.120 0.015 0.000 0.282 322 V C 0.907 177.087 176.094 0.144 0.000 1.031 322 V CA 0.767 63.127 62.300 0.101 0.000 0.881 322 V CB 0.897 32.757 31.823 0.062 0.000 0.982 322 V HN 1.348 nan 8.190 nan 0.000 0.451 323 G N 2.597 111.508 108.800 0.186 0.000 2.753 323 G HA2 0.569 4.538 3.960 0.015 0.000 0.285 323 G HA3 0.569 4.538 3.960 0.015 0.000 0.285 323 G C 0.669 175.668 174.900 0.164 0.000 1.344 323 G CA 0.335 45.562 45.100 0.213 0.000 1.050 323 G HN 0.722 nan 8.290 nan 0.000 0.532 324 T N -4.290 110.352 114.554 0.146 0.000 2.964 324 T HA 0.154 4.513 4.350 0.015 0.000 0.250 324 T C 0.687 175.412 174.700 0.043 0.000 0.982 324 T CA 1.060 63.231 62.100 0.118 0.000 0.959 324 T CB 0.221 69.174 68.868 0.141 0.000 1.141 324 T HN 0.530 nan 8.240 nan 0.000 0.494 325 D N 1.779 122.147 120.400 -0.054 0.000 2.723 325 D HA -0.181 4.468 4.640 0.015 0.000 0.236 325 D C -0.318 176.035 176.300 0.090 0.000 1.138 325 D CA 0.335 54.265 54.000 -0.116 0.000 0.676 325 D CB -2.164 38.515 40.800 -0.201 0.000 1.069 325 D HN 0.695 nan 8.370 nan 0.000 0.430 326 N N 0.301 119.032 118.700 0.051 0.000 2.416 326 N HA 0.170 4.919 4.740 0.015 0.000 0.271 326 N C -0.769 174.765 175.510 0.039 0.000 1.245 326 N CA 0.204 53.277 53.050 0.037 0.000 0.940 326 N CB 0.286 38.780 38.487 0.011 0.000 1.175 326 N HN 0.284 nan 8.380 nan 0.000 0.483 327 C N 4.467 123.791 119.300 0.040 0.000 3.418 327 C HA 0.337 4.806 4.460 0.015 0.000 0.238 327 C C -0.146 174.727 174.990 -0.196 0.000 1.205 327 C CA -0.496 58.509 59.018 -0.021 0.000 1.376 327 C CB -1.606 26.189 27.740 0.091 0.000 1.826 327 C HN 0.806 nan 8.230 nan 0.000 0.513 328 T N 0.484 114.850 114.554 -0.314 0.000 2.845 328 T HA 0.781 5.140 4.350 0.015 0.000 0.288 328 T C -0.771 173.559 174.700 -0.617 0.000 0.980 328 T CA -0.212 61.719 62.100 -0.281 0.000 1.071 328 T CB 1.137 69.952 68.868 -0.089 0.000 0.941 328 T HN 0.353 nan 8.240 nan 0.000 0.487 329 F N 0.252 120.181 119.950 -0.034 0.000 2.576 329 F HA 0.544 5.080 4.527 0.015 0.000 0.313 329 F C 0.465 176.253 175.800 -0.020 0.000 1.078 329 F CA -1.174 56.810 58.000 -0.027 0.000 0.921 329 F CB 1.422 40.390 39.000 -0.053 0.000 1.232 329 F HN 0.690 nan 8.300 nan 0.000 0.459 330 C N 1.036 120.442 119.300 0.177 0.000 2.470 330 C HA 0.509 4.978 4.460 0.015 0.000 0.350 330 C C 2.025 177.075 174.990 0.100 0.000 1.341 330 C CA 0.188 59.274 59.018 0.114 0.000 2.440 330 C CB 1.041 28.837 27.740 0.094 0.000 2.295 330 C HN 1.046 nan 8.230 nan 0.000 0.645 331 A N 0.795 123.659 122.820 0.073 0.000 1.903 331 A HA -0.181 4.148 4.320 0.015 0.000 0.219 331 A C 1.900 179.541 177.584 0.095 0.000 1.191 331 A CA 3.071 55.150 52.037 0.070 0.000 0.638 331 A CB -1.561 17.483 19.000 0.073 0.000 0.823 331 A HN 1.045 nan 8.150 nan 0.000 0.451 332 D N -1.124 119.325 120.400 0.082 0.000 2.123 332 D HA -0.196 4.453 4.640 0.015 0.000 0.196 332 D C 2.068 178.413 176.300 0.076 0.000 0.992 332 D CA 1.671 55.712 54.000 0.068 0.000 0.833 332 D CB -0.558 40.275 40.800 0.056 0.000 0.954 332 D HN 0.759 nan 8.370 nan 0.000 0.455 333 Q N -0.508 119.354 119.800 0.102 0.000 2.016 333 Q HA -0.122 4.227 4.340 0.015 0.000 0.200 333 Q C 2.504 178.540 176.000 0.060 0.000 0.978 333 Q CA 1.223 57.088 55.803 0.104 0.000 0.833 333 Q CB 0.031 28.893 28.738 0.207 0.000 0.895 333 Q HN 0.300 nan 8.270 nan 0.000 0.427 334 K N 0.602 121.049 120.400 0.078 0.000 2.074 334 K HA -0.162 4.167 4.320 0.015 0.000 0.209 334 K C 1.963 178.721 176.600 0.263 0.000 1.048 334 K CA 1.383 57.724 56.287 0.090 0.000 0.926 334 K CB -0.483 32.046 32.500 0.048 0.000 0.713 334 K HN 0.216 nan 8.250 nan 0.000 0.444 335 A N 1.112 124.066 122.820 0.223 0.000 2.178 335 A HA -0.107 4.222 4.320 0.015 0.000 0.218 335 A C 2.091 179.661 177.584 -0.023 0.000 1.157 335 A CA 1.036 53.119 52.037 0.076 0.000 0.689 335 A CB -0.535 18.457 19.000 -0.013 0.000 0.787 335 A HN 0.255 nan 8.150 nan 0.000 0.465 336 M N -0.773 118.846 119.600 0.031 0.000 2.192 336 M HA -0.189 4.299 4.480 0.015 0.000 0.259 336 M C 1.715 178.019 176.300 0.007 0.000 1.071 336 M CA 1.493 56.797 55.300 0.007 0.000 1.082 336 M CB -0.275 32.341 32.600 0.026 0.000 1.373 336 M HN 0.509 nan 8.290 nan 0.000 0.408 337 G N 0.209 109.061 108.800 0.087 0.000 3.707 337 G HA2 0.091 4.060 3.960 0.015 0.000 0.286 337 G HA3 0.091 4.060 3.960 0.015 0.000 0.286 337 G C 1.106 176.092 174.900 0.142 0.000 1.112 337 G CA -0.355 44.819 45.100 0.122 0.000 0.861 337 G HN 0.541 nan 8.290 nan 0.000 0.534 338 K N -0.120 120.151 120.400 -0.214 0.000 2.209 338 K HA -0.059 4.270 4.320 0.015 0.000 0.204 338 K C 0.428 176.795 176.600 -0.389 0.000 1.048 338 K CA 1.348 57.177 56.287 -0.764 0.000 0.940 338 K CB 0.125 32.078 32.500 -0.912 0.000 0.729 338 K HN 0.102 nan 8.250 nan 0.000 0.451 339 D N 0.468 120.763 120.400 -0.175 0.000 2.402 339 D HA 0.080 4.729 4.640 0.015 0.000 0.216 339 D C -0.615 175.667 176.300 -0.030 0.000 1.128 339 D CA 0.140 54.085 54.000 -0.091 0.000 0.833 339 D CB 0.523 41.261 40.800 -0.103 0.000 0.971 339 D HN 0.184 nan 8.370 nan 0.000 0.503 340 D N 0.362 120.766 120.400 0.007 0.000 2.333 340 D HA -0.030 4.619 4.640 0.015 0.000 0.225 340 D C 0.710 176.981 176.300 -0.048 0.000 1.345 340 D CA -0.582 53.370 54.000 -0.079 0.000 0.971 340 D CB 0.215 40.932 40.800 -0.140 0.000 1.451 340 D HN -0.111 nan 8.370 nan 0.000 0.561 341 F N 1.855 121.847 119.950 0.071 0.000 2.269 341 F HA -0.072 4.464 4.527 0.015 0.000 0.301 341 F C 1.997 177.820 175.800 0.038 0.000 1.082 341 F CA 1.441 59.474 58.000 0.055 0.000 1.360 341 F CB -1.282 37.733 39.000 0.025 0.000 1.041 341 F HN 0.270 nan 8.300 nan 0.000 0.512 342 T N -2.319 111.948 114.554 -0.479 0.000 3.051 342 T HA -0.040 4.319 4.350 0.015 0.000 0.269 342 T C 1.368 176.039 174.700 -0.050 0.000 1.127 342 T CA 1.077 63.041 62.100 -0.225 0.000 1.107 342 T CB -0.470 68.174 68.868 -0.373 0.000 0.898 342 T HN 0.496 nan 8.240 nan 0.000 0.517 343 K N 0.257 120.632 120.400 -0.040 0.000 2.358 343 K HA 0.374 4.703 4.320 0.015 0.000 0.200 343 K C 0.094 176.726 176.600 0.054 0.000 1.030 343 K CA -0.232 56.068 56.287 0.021 0.000 1.097 343 K CB 0.380 32.871 32.500 -0.015 0.000 0.862 343 K HN 0.415 nan 8.250 nan 0.000 0.534 344 I N 5.096 125.691 120.570 0.042 0.000 2.664 344 I HA -0.005 4.174 4.170 0.015 0.000 0.284 344 I C -2.034 173.981 176.117 -0.170 0.000 1.154 344 I CA -1.723 59.566 61.300 -0.017 0.000 1.402 344 I CB 0.038 38.011 38.000 -0.045 0.000 1.395 344 I HN -0.153 nan 8.210 nan 0.000 0.545 345 P HA -0.032 nan 4.420 nan 0.000 0.262 345 P C -0.765 176.125 177.300 -0.683 0.000 1.199 345 P CA 0.271 62.836 63.100 -0.892 0.000 0.763 345 P CB 0.242 31.015 31.700 -1.544 0.000 0.790 346 N N 1.916 120.285 118.700 -0.552 0.000 2.470 346 N HA 0.440 5.189 4.740 0.015 0.000 0.268 346 N C 0.375 175.846 175.510 -0.066 0.000 1.136 346 N CA 0.174 53.079 53.050 -0.241 0.000 0.961 346 N CB 0.590 39.020 38.487 -0.094 0.000 1.067 346 N HN 0.602 nan 8.380 nan 0.000 0.468 347 G N 0.191 108.985 108.800 -0.009 0.000 2.318 347 G HA2 0.221 4.190 3.960 0.015 0.000 0.302 347 G HA3 0.221 4.190 3.960 0.015 0.000 0.302 347 G C -1.028 173.878 174.900 0.010 0.000 1.633 347 G CA -0.748 44.389 45.100 0.062 0.000 0.965 347 G HN 0.484 nan 8.290 nan 0.000 0.698 348 V N -1.197 118.695 119.914 -0.037 0.000 3.164 348 V HA 0.893 5.022 4.120 0.015 0.000 0.313 348 V C 0.228 176.271 176.094 -0.084 0.000 1.188 348 V CA -0.786 61.442 62.300 -0.119 0.000 1.058 348 V CB 1.912 33.602 31.823 -0.222 0.000 1.110 348 V HN 1.292 nan 8.190 nan 0.000 0.453 349 N N 0.136 118.744 118.700 -0.153 0.000 2.463 349 N HA 0.631 5.380 4.740 0.015 0.000 0.270 349 N C 0.350 175.882 175.510 0.037 0.000 1.205 349 N CA 0.154 53.142 53.050 -0.102 0.000 0.974 349 N CB 1.811 40.054 38.487 -0.407 0.000 1.197 349 N HN 1.449 nan 8.380 nan 0.000 0.504 350 G N -1.144 107.785 108.800 0.216 0.000 4.474 350 G HA2 -0.124 3.845 3.960 0.015 0.000 0.202 350 G HA3 -0.124 3.845 3.960 0.015 0.000 0.202 350 G C 0.733 175.828 174.900 0.324 0.000 0.708 350 G CA 0.258 45.571 45.100 0.354 0.000 0.806 350 G HN 0.426 nan 8.290 nan 0.000 0.508 351 V N 1.018 121.138 119.914 0.343 0.000 2.324 351 V HA -0.156 3.973 4.120 0.015 0.000 0.250 351 V C 2.372 178.580 176.094 0.190 0.000 1.060 351 V CA 3.297 65.746 62.300 0.248 0.000 1.042 351 V CB 0.299 32.291 31.823 0.281 0.000 0.650 351 V HN 0.570 nan 8.190 nan 0.000 0.450 352 E N -0.967 119.389 120.200 0.261 0.000 2.072 352 E HA -0.194 4.165 4.350 0.015 0.000 0.190 352 E C 1.547 178.223 176.600 0.126 0.000 0.982 352 E CA 1.459 57.945 56.400 0.144 0.000 0.803 352 E CB -0.029 29.794 29.700 0.206 0.000 0.755 352 E HN 0.676 nan 8.360 nan 0.000 0.453 353 D N -0.344 120.153 120.400 0.162 0.000 2.349 353 D HA -0.023 4.626 4.640 0.015 0.000 0.214 353 D C 1.654 177.922 176.300 -0.053 0.000 1.063 353 D CA -0.041 53.972 54.000 0.022 0.000 0.847 353 D CB 0.044 40.818 40.800 -0.044 0.000 0.933 353 D HN 0.144 nan 8.370 nan 0.000 0.513 354 R N 0.923 121.451 120.500 0.047 0.000 2.115 354 R HA -0.163 4.186 4.340 0.015 0.000 0.239 354 R C 2.121 178.491 176.300 0.116 0.000 1.133 354 R CA 1.473 57.609 56.100 0.060 0.000 0.935 354 R CB -0.116 30.251 30.300 0.110 0.000 0.853 354 R HN 0.070 nan 8.270 nan 0.000 0.433 355 M N 0.254 119.977 119.600 0.205 0.000 2.175 355 M HA -0.128 4.361 4.480 0.015 0.000 0.264 355 M C 2.433 179.089 176.300 0.592 0.000 1.063 355 M CA 1.996 57.525 55.300 0.382 0.000 1.119 355 M CB -0.034 32.813 32.600 0.412 0.000 1.377 355 M HN 0.352 nan 8.290 nan 0.000 0.415 356 S N 0.357 116.336 115.700 0.466 0.000 2.387 356 S HA -0.081 4.398 4.470 0.015 0.000 0.226 356 S C 1.677 176.447 174.600 0.283 0.000 1.026 356 S CA 0.788 59.233 58.200 0.407 0.000 0.972 356 S CB -0.580 62.710 63.200 0.151 0.000 0.814 356 S HN 0.229 nan 8.310 nan 0.000 0.477 357 I N 2.105 122.728 120.570 0.088 0.000 2.226 357 I HA -0.071 4.108 4.170 0.015 0.000 0.245 357 I C 2.525 178.726 176.117 0.140 0.000 1.100 357 I CA 0.449 61.739 61.300 -0.016 0.000 1.374 357 I CB -0.811 36.974 38.000 -0.358 0.000 1.057 357 I HN 0.162 nan 8.210 nan 0.000 0.413 358 V N -0.244 119.807 119.914 0.228 0.000 2.358 358 V HA -0.285 3.844 4.120 0.015 0.000 0.246 358 V C 2.194 178.515 176.094 0.378 0.000 1.047 358 V CA 1.640 64.109 62.300 0.281 0.000 1.035 358 V CB -0.809 31.176 31.823 0.270 0.000 0.658 358 V HN 0.599 nan 8.190 nan 0.000 0.452 359 W N 1.311 122.799 121.300 0.314 0.000 2.333 359 W HA -0.252 4.417 4.660 0.015 0.000 0.316 359 W C 2.526 179.107 176.519 0.103 0.000 1.215 359 W CA 2.535 59.942 57.345 0.103 0.000 1.278 359 W CB -0.191 29.323 29.460 0.090 0.000 1.154 359 W HN 0.376 nan 8.180 nan 0.000 0.486 360 E N 0.641 121.064 120.200 0.372 0.000 2.051 360 E HA -0.206 4.153 4.350 0.015 0.000 0.192 360 E C 1.748 178.416 176.600 0.114 0.000 0.991 360 E CA 1.836 58.379 56.400 0.238 0.000 0.799 360 E CB -0.876 28.947 29.700 0.204 0.000 0.748 360 E HN 0.166 nan 8.360 nan 0.000 0.449 361 N N -0.889 117.876 118.700 0.109 0.000 2.446 361 N HA 0.015 4.764 4.740 0.015 0.000 0.179 361 N C 1.337 176.872 175.510 0.041 0.000 1.054 361 N CA 0.904 54.001 53.050 0.077 0.000 0.905 361 N CB 0.528 39.073 38.487 0.096 0.000 0.973 361 N HN 0.296 nan 8.380 nan 0.000 0.448 362 G N 0.309 109.121 108.800 0.020 0.000 2.789 362 G HA2 0.016 3.985 3.960 0.015 0.000 0.207 362 G HA3 0.016 3.985 3.960 0.015 0.000 0.207 362 G C 1.560 176.386 174.900 -0.122 0.000 1.153 362 G CA 0.039 45.130 45.100 -0.016 0.000 0.847 362 G HN 0.048 nan 8.290 nan 0.000 0.615 363 V N 1.994 121.725 119.914 -0.305 0.000 2.283 363 V HA -0.105 4.024 4.120 0.015 0.000 0.243 363 V C 2.419 178.347 176.094 -0.277 0.000 1.039 363 V CA 1.735 63.745 62.300 -0.483 0.000 1.016 363 V CB -0.494 30.564 31.823 -1.275 0.000 0.650 363 V HN 0.243 nan 8.190 nan 0.000 0.449 364 N N 0.638 119.220 118.700 -0.198 0.000 2.512 364 N HA -0.097 4.652 4.740 0.015 0.000 0.183 364 N C 1.814 177.313 175.510 -0.019 0.000 1.073 364 N CA 1.545 54.572 53.050 -0.039 0.000 0.911 364 N CB -0.366 38.162 38.487 0.069 0.000 0.964 364 N HN 0.725 nan 8.380 nan 0.000 0.447 365 T N -3.817 110.717 114.554 -0.033 0.000 3.113 365 T HA 0.234 4.592 4.350 0.015 0.000 0.256 365 T C 1.467 176.146 174.700 -0.035 0.000 1.131 365 T CA 0.662 62.751 62.100 -0.019 0.000 1.074 365 T CB 0.078 68.942 68.868 -0.007 0.000 0.944 365 T HN 0.241 nan 8.240 nan 0.000 0.516 366 G N 1.444 110.207 108.800 -0.061 0.000 2.176 366 G HA2 -0.306 3.663 3.960 0.015 0.000 0.253 366 G HA3 -0.306 3.663 3.960 0.015 0.000 0.253 366 G C 0.833 175.696 174.900 -0.062 0.000 0.979 366 G CA 0.505 45.565 45.100 -0.066 0.000 0.641 366 G HN 0.548 nan 8.290 nan 0.000 0.530 367 K N -0.776 119.590 120.400 -0.056 0.000 2.103 367 K HA 0.294 4.623 4.320 0.015 0.000 0.204 367 K C 0.973 177.549 176.600 -0.039 0.000 1.052 367 K CA 0.725 56.988 56.287 -0.041 0.000 0.945 367 K CB 0.062 32.547 32.500 -0.025 0.000 0.722 367 K HN 0.423 nan 8.250 nan 0.000 0.443 368 L N 1.020 122.208 121.223 -0.057 0.000 2.365 368 L HA 0.229 4.578 4.340 0.015 0.000 0.273 368 L C 0.301 177.125 176.870 -0.076 0.000 1.000 368 L CA -0.974 53.843 54.840 -0.039 0.000 0.819 368 L CB 1.895 43.952 42.059 -0.002 0.000 1.284 368 L HN 0.099 nan 8.230 nan 0.000 0.418 369 T N -2.768 111.766 114.554 -0.033 0.000 2.754 369 T HA 0.100 4.459 4.350 0.015 0.000 0.286 369 T C 0.935 175.683 174.700 0.080 0.000 0.997 369 T CA -0.271 61.805 62.100 -0.040 0.000 0.982 369 T CB 0.760 69.628 68.868 0.000 0.000 1.027 369 T HN 0.461 nan 8.240 nan 0.000 0.529 370 W N 0.027 121.245 121.300 -0.137 0.000 2.335 370 W HA -0.039 4.630 4.660 0.015 0.000 0.311 370 W C 2.873 179.439 176.519 0.079 0.000 1.213 370 W CA -0.502 56.782 57.345 -0.100 0.000 1.274 370 W CB -1.765 27.597 29.460 -0.165 0.000 1.148 370 W HN 0.755 nan 8.180 nan 0.000 0.498 371 C N -0.574 118.935 119.300 0.349 0.000 2.429 371 C HA -0.192 4.277 4.460 0.015 0.000 0.277 371 C C 2.490 177.594 174.990 0.191 0.000 1.262 371 C CA 1.048 60.231 59.018 0.275 0.000 1.733 371 C CB -1.311 26.589 27.740 0.266 0.000 2.010 371 C HN 0.412 nan 8.230 nan 0.000 0.483 372 Q N -0.637 119.257 119.800 0.157 0.000 2.224 372 Q HA -0.161 4.188 4.340 0.015 0.000 0.203 372 Q C 1.915 177.980 176.000 0.108 0.000 0.970 372 Q CA 1.325 57.190 55.803 0.103 0.000 0.865 372 Q CB -0.296 28.484 28.738 0.071 0.000 0.922 372 Q HN 0.812 nan 8.270 nan 0.000 0.445 373 F N 0.377 120.326 119.950 -0.002 0.000 2.146 373 F HA -0.170 4.366 4.527 0.015 0.000 0.298 373 F C 1.885 177.680 175.800 -0.009 0.000 1.096 373 F CA 0.887 58.868 58.000 -0.030 0.000 1.275 373 F CB -0.037 38.907 39.000 -0.093 0.000 1.008 373 F HN -0.213 nan 8.300 nan 0.000 0.480 374 V N 1.397 121.367 119.914 0.094 0.000 2.343 374 V HA -0.275 3.854 4.120 0.015 0.000 0.247 374 V C 2.651 178.707 176.094 -0.064 0.000 1.051 374 V CA 2.174 64.466 62.300 -0.013 0.000 1.036 374 V CB -0.792 31.104 31.823 0.121 0.000 0.654 374 V HN 0.332 nan 8.190 nan 0.000 0.451 375 R N 0.393 120.888 120.500 -0.009 0.000 2.094 375 R HA -0.220 4.129 4.340 0.015 0.000 0.239 375 R C 2.270 178.535 176.300 -0.059 0.000 1.137 375 R CA 2.029 58.118 56.100 -0.019 0.000 0.943 375 R CB -0.553 29.751 30.300 0.007 0.000 0.850 375 R HN 0.481 nan 8.270 nan 0.000 0.433 376 A N -0.256 122.508 122.820 -0.093 0.000 2.070 376 A HA -0.136 4.193 4.320 0.015 0.000 0.220 376 A C 1.947 179.433 177.584 -0.163 0.000 1.159 376 A CA 2.050 54.023 52.037 -0.107 0.000 0.656 376 A CB -0.439 18.498 19.000 -0.104 0.000 0.800 376 A HN 0.686 nan 8.150 nan 0.000 0.453 377 T N -4.990 109.390 114.554 -0.291 0.000 2.985 377 T HA 0.237 4.596 4.350 0.015 0.000 0.254 377 T C 1.294 175.920 174.700 -0.122 0.000 1.021 377 T CA 1.120 63.052 62.100 -0.280 0.000 0.957 377 T CB 0.123 68.634 68.868 -0.595 0.000 1.047 377 T HN 0.682 nan 8.240 nan 0.000 0.511 378 S N 0.227 115.880 115.700 -0.079 0.000 3.916 378 S HA 0.184 4.663 4.470 0.015 0.000 0.231 378 S C 1.845 176.461 174.600 0.027 0.000 1.161 378 S CA 0.426 58.624 58.200 -0.003 0.000 0.938 378 S CB -0.292 62.910 63.200 0.004 0.000 1.170 378 S HN 0.220 nan 8.310 nan 0.000 0.508 379 S N 2.038 117.755 115.700 0.027 0.000 2.383 379 S HA 0.016 4.495 4.470 0.015 0.000 0.227 379 S C 1.786 176.343 174.600 -0.071 0.000 1.026 379 S CA 1.691 59.921 58.200 0.049 0.000 0.981 379 S CB -0.373 62.870 63.200 0.073 0.000 0.818 379 S HN 0.580 nan 8.310 nan 0.000 0.472 380 E N 1.706 121.871 120.200 -0.058 0.000 2.076 380 E HA -0.018 4.341 4.350 0.015 0.000 0.190 380 E C 2.429 179.007 176.600 -0.036 0.000 0.979 380 E CA 1.407 57.761 56.400 -0.077 0.000 0.807 380 E CB -0.425 29.255 29.700 -0.032 0.000 0.761 380 E HN 0.408 nan 8.360 nan 0.000 0.454 381 R N 0.802 121.335 120.500 0.056 0.000 2.096 381 R HA -0.040 4.309 4.340 0.015 0.000 0.240 381 R C 2.478 178.877 176.300 0.166 0.000 1.139 381 R CA 2.108 58.319 56.100 0.185 0.000 0.952 381 R CB -1.751 28.688 30.300 0.231 0.000 0.854 381 R HN 0.341 nan 8.270 nan 0.000 0.436 382 A N 0.913 123.779 122.820 0.077 0.000 1.877 382 A HA -0.157 4.172 4.320 0.015 0.000 0.216 382 A C 2.477 180.080 177.584 0.032 0.000 1.186 382 A CA 1.623 53.695 52.037 0.059 0.000 0.620 382 A CB -0.398 18.670 19.000 0.112 0.000 0.822 382 A HN 0.606 nan 8.150 nan 0.000 0.443 383 R N -0.740 119.711 120.500 -0.083 0.000 2.075 383 R HA -0.006 4.343 4.340 0.015 0.000 0.232 383 R C 2.020 178.206 176.300 -0.189 0.000 1.126 383 R CA 1.507 57.510 56.100 -0.161 0.000 0.963 383 R CB -0.456 29.642 30.300 -0.336 0.000 0.858 383 R HN 0.571 nan 8.270 nan 0.000 0.435 384 I N -0.264 120.136 120.570 -0.284 0.000 2.226 384 I HA -0.235 3.944 4.170 0.015 0.000 0.245 384 I C 1.066 176.782 176.117 -0.669 0.000 1.100 384 I CA 1.345 62.298 61.300 -0.579 0.000 1.374 384 I CB -0.003 37.541 38.000 -0.760 0.000 1.057 384 I HN 0.053 nan 8.210 nan 0.000 0.413 385 F N 0.312 120.172 119.950 -0.150 0.000 2.660 385 F HA 0.207 4.743 4.527 0.014 0.000 0.302 385 F C 0.818 176.549 175.800 -0.114 0.000 1.103 385 F CA -0.256 57.659 58.000 -0.142 0.000 1.340 385 F CB -0.669 38.254 39.000 -0.129 0.000 1.048 385 F HN 0.044 nan 8.300 nan 0.000 0.551 386 N N 1.529 120.231 118.700 0.003 0.000 2.746 386 N HA -0.214 4.535 4.740 0.015 0.000 0.250 386 N C 0.073 175.582 175.510 -0.002 0.000 1.055 386 N CA 0.915 53.967 53.050 0.004 0.000 0.699 386 N CB -1.256 37.230 38.487 -0.002 0.000 0.919 386 N HN 0.576 nan 8.380 nan 0.000 0.548 387 I N -3.891 116.676 120.570 -0.006 0.000 3.813 387 I HA 0.281 4.460 4.170 0.015 0.000 0.323 387 I C -0.176 175.915 176.117 -0.042 0.000 1.536 387 I CA -0.721 60.530 61.300 -0.083 0.000 1.083 387 I CB -0.130 37.737 38.000 -0.222 0.000 1.265 387 I HN 0.086 nan 8.210 nan 0.000 0.507 388 Y N 4.801 125.041 120.300 -0.099 0.000 2.334 388 Y HA 0.607 5.166 4.550 0.015 0.000 0.328 388 Y C -1.741 174.126 175.900 -0.055 0.000 1.130 388 Y CA -1.479 56.576 58.100 -0.075 0.000 1.163 388 Y CB 1.465 39.893 38.460 -0.053 0.000 1.207 388 Y HN 0.022 nan 8.280 nan 0.000 0.471 389 P HA 0.165 nan 4.420 nan 0.000 0.266 389 P C 0.902 177.979 177.300 -0.372 0.000 1.381 389 P CA 0.093 62.684 63.100 -0.850 0.000 0.940 389 P CB 0.185 31.309 31.700 -0.960 0.000 1.435 390 R N 1.006 121.371 120.500 -0.226 0.000 2.096 390 R HA -0.095 4.254 4.340 0.015 0.000 0.240 390 R C 0.380 176.576 176.300 -0.173 0.000 1.139 390 R CA 1.312 57.311 56.100 -0.167 0.000 0.952 390 R CB 0.046 30.260 30.300 -0.143 0.000 0.854 390 R HN 0.003 nan 8.270 nan 0.000 0.436 391 K N -1.172 119.109 120.400 -0.198 0.000 2.221 391 K HA 0.278 4.607 4.320 0.015 0.000 0.243 391 K C 0.193 176.749 176.600 -0.073 0.000 0.968 391 K CA -0.015 56.155 56.287 -0.195 0.000 0.846 391 K CB 1.560 33.819 32.500 -0.402 0.000 1.141 391 K HN 0.340 nan 8.250 nan 0.000 0.434 392 G N 1.168 109.955 108.800 -0.022 0.000 2.160 392 G HA2 -0.307 3.662 3.960 0.015 0.000 0.251 392 G HA3 -0.307 3.662 3.960 0.015 0.000 0.251 392 G C 0.064 175.041 174.900 0.127 0.000 1.008 392 G CA 0.870 46.021 45.100 0.085 0.000 0.724 392 G HN 0.538 nan 8.290 nan 0.000 0.514 393 R N -0.750 119.757 120.500 0.011 0.000 2.561 393 R HA 0.543 4.892 4.340 0.015 0.000 0.266 393 R C -0.609 175.686 176.300 -0.008 0.000 1.091 393 R CA -1.081 55.022 56.100 0.005 0.000 0.927 393 R CB 0.877 31.093 30.300 -0.140 0.000 1.240 393 R HN 0.125 nan 8.270 nan 0.000 0.449 394 I N 4.234 124.828 120.570 0.040 0.000 2.269 394 I HA 0.303 4.482 4.170 0.015 0.000 0.293 394 I C -0.653 175.507 176.117 0.071 0.000 1.106 394 I CA -0.041 61.286 61.300 0.045 0.000 1.248 394 I CB 0.759 38.787 38.000 0.048 0.000 1.444 394 I HN 0.471 nan 8.210 nan 0.000 0.497 395 D N 3.659 124.076 120.400 0.028 0.000 2.602 395 D HA 0.309 4.958 4.640 0.015 0.000 0.236 395 D C -0.620 175.685 176.300 0.008 0.000 1.209 395 D CA -0.317 53.700 54.000 0.029 0.000 0.831 395 D CB 2.945 43.737 40.800 -0.013 0.000 1.478 395 D HN -0.076 nan 8.370 nan 0.000 0.438 396 V N 1.239 121.161 119.914 0.014 0.000 2.694 396 V HA 0.379 4.508 4.120 0.015 0.000 0.306 396 V C 1.657 177.740 176.094 -0.018 0.000 1.054 396 V CA 1.763 64.065 62.300 0.003 0.000 1.161 396 V CB 0.677 32.505 31.823 0.007 0.000 0.916 396 V HN 0.950 nan 8.190 nan 0.000 0.490 397 G N 3.003 111.791 108.800 -0.019 0.000 2.241 397 G HA2 -0.236 3.733 3.960 0.015 0.000 0.244 397 G HA3 -0.236 3.733 3.960 0.015 0.000 0.244 397 G C 0.325 175.198 174.900 -0.045 0.000 0.998 397 G CA 0.001 45.083 45.100 -0.030 0.000 0.621 397 G HN 0.788 nan 8.290 nan 0.000 0.519 398 C N 1.458 120.728 119.300 -0.050 0.000 2.422 398 C HA 0.613 5.082 4.460 0.015 0.000 0.364 398 C C 0.541 175.503 174.990 -0.046 0.000 1.251 398 C CA -0.795 58.182 59.018 -0.069 0.000 2.441 398 C CB 0.984 28.671 27.740 -0.089 0.000 2.393 398 C HN 0.496 nan 8.230 nan 0.000 0.606 399 D N 0.862 121.230 120.400 -0.054 0.000 2.424 399 D HA 0.282 4.931 4.640 0.015 0.000 0.244 399 D C 0.744 177.036 176.300 -0.013 0.000 1.134 399 D CA 0.616 54.597 54.000 -0.031 0.000 0.881 399 D CB 0.555 41.333 40.800 -0.037 0.000 1.191 399 D HN 0.805 nan 8.370 nan 0.000 0.445 400 G N 2.126 110.927 108.800 0.002 0.000 3.353 400 G HA2 0.019 3.988 3.960 0.015 0.000 0.247 400 G HA3 0.019 3.988 3.960 0.015 0.000 0.247 400 G C -0.428 174.486 174.900 0.024 0.000 1.025 400 G CA -0.421 44.687 45.100 0.012 0.000 1.863 400 G HN 0.271 nan 8.290 nan 0.000 0.635 401 D N 1.020 121.435 120.400 0.025 0.000 2.412 401 D HA 0.438 5.087 4.640 0.015 0.000 0.224 401 D C 0.206 176.533 176.300 0.045 0.000 1.093 401 D CA 0.141 54.167 54.000 0.043 0.000 0.850 401 D CB 1.637 42.469 40.800 0.052 0.000 1.046 401 D HN 0.187 nan 8.370 nan 0.000 0.507 402 I N 1.066 121.668 120.570 0.053 0.000 2.686 402 I HA 0.324 4.503 4.170 0.015 0.000 0.295 402 I C -0.598 175.566 176.117 0.077 0.000 1.114 402 I CA -1.202 60.131 61.300 0.054 0.000 1.038 402 I CB 2.594 40.616 38.000 0.037 0.000 1.238 402 I HN -0.113 nan 8.210 nan 0.000 0.420 403 V N 6.068 126.039 119.914 0.094 0.000 2.417 403 V HA 0.418 4.547 4.120 0.015 0.000 0.291 403 V C 0.090 176.261 176.094 0.130 0.000 1.024 403 V CA -0.518 61.866 62.300 0.141 0.000 0.861 403 V CB 1.816 33.766 31.823 0.212 0.000 0.985 403 V HN 0.453 nan 8.190 nan 0.000 0.436 404 I N 5.108 125.741 120.570 0.105 0.000 2.308 404 I HA 0.178 4.357 4.170 0.015 0.000 0.293 404 I C -0.215 175.938 176.117 0.060 0.000 1.078 404 I CA 0.143 61.478 61.300 0.059 0.000 1.292 404 I CB 0.366 38.373 38.000 0.012 0.000 1.423 404 I HN 0.627 nan 8.210 nan 0.000 0.493 405 W N 7.288 128.477 121.300 -0.186 0.000 2.433 405 W HA 0.251 4.919 4.660 0.015 0.000 0.315 405 W C -0.810 175.501 176.519 -0.346 0.000 1.087 405 W CA -0.375 56.786 57.345 -0.306 0.000 1.205 405 W CB 1.642 30.837 29.460 -0.442 0.000 1.288 405 W HN 0.399 nan 8.180 nan 0.000 0.504 406 D N 8.004 127.961 120.400 -0.738 0.000 2.454 406 D HA 0.200 4.849 4.640 0.015 0.000 0.225 406 D C -1.393 174.551 176.300 -0.593 0.000 1.081 406 D CA -2.279 51.427 54.000 -0.490 0.000 0.864 406 D CB 1.846 42.434 40.800 -0.353 0.000 1.040 406 D HN 0.113 nan 8.370 nan 0.000 0.517 407 P HA -0.016 nan 4.420 nan 0.000 0.234 407 P C 0.351 177.648 177.300 -0.006 0.000 1.167 407 P CA 0.508 63.523 63.100 -0.141 0.000 0.763 407 P CB 0.614 32.438 31.700 0.206 0.000 0.835 408 N N -1.142 117.515 118.700 -0.073 0.000 2.181 408 N HA 0.033 4.782 4.740 0.015 0.000 0.207 408 N C 0.565 176.036 175.510 -0.065 0.000 1.182 408 N CA 0.096 53.136 53.050 -0.017 0.000 0.893 408 N CB 0.229 38.722 38.487 0.011 0.000 1.032 408 N HN 0.141 nan 8.380 nan 0.000 0.513 409 Q N 1.141 120.851 119.800 -0.149 0.000 2.286 409 Q HA 0.301 4.650 4.340 0.015 0.000 0.257 409 Q C -0.570 175.355 176.000 -0.126 0.000 0.941 409 Q CA 0.195 55.914 55.803 -0.141 0.000 0.912 409 Q CB 0.794 29.416 28.738 -0.194 0.000 1.192 409 Q HN -0.096 nan 8.270 nan 0.000 0.410 410 S N 3.307 118.965 115.700 -0.069 0.000 2.687 410 S HA 0.735 5.214 4.470 0.015 0.000 0.283 410 S C -0.954 173.623 174.600 -0.039 0.000 1.170 410 S CA -0.750 57.425 58.200 -0.041 0.000 1.008 410 S CB 1.003 64.199 63.200 -0.007 0.000 1.026 410 S HN 0.582 nan 8.310 nan 0.000 0.541 411 K N 0.717 121.105 120.400 -0.019 0.000 2.572 411 K HA 0.346 4.675 4.320 0.015 0.000 0.263 411 K C -1.708 174.901 176.600 0.014 0.000 0.932 411 K CA -0.446 55.838 56.287 -0.005 0.000 0.838 411 K CB 1.505 33.998 32.500 -0.013 0.000 1.366 411 K HN 0.559 nan 8.250 nan 0.000 0.425 412 T N 3.954 118.520 114.554 0.019 0.000 2.767 412 T HA 0.411 4.770 4.350 0.015 0.000 0.284 412 T C 0.198 174.914 174.700 0.027 0.000 0.973 412 T CA -0.525 61.592 62.100 0.028 0.000 0.996 412 T CB 0.332 69.214 68.868 0.024 0.000 0.927 412 T HN 0.375 nan 8.240 nan 0.000 0.456 413 I N 2.817 123.412 120.570 0.042 0.000 2.529 413 I HA 0.410 4.589 4.170 0.015 0.000 0.284 413 I C 0.676 176.795 176.117 0.003 0.000 1.082 413 I CA 0.175 61.503 61.300 0.046 0.000 1.406 413 I CB 1.032 39.090 38.000 0.097 0.000 1.405 413 I HN 0.516 nan 8.210 nan 0.000 0.548 414 S N 4.202 119.873 115.700 -0.048 0.000 2.547 414 S HA 0.240 4.719 4.470 0.015 0.000 0.270 414 S C 0.474 174.881 174.600 -0.323 0.000 1.150 414 S CA -0.940 57.172 58.200 -0.146 0.000 0.850 414 S CB 1.500 64.635 63.200 -0.108 0.000 1.118 414 S HN 0.759 nan 8.310 nan 0.000 0.461 415 K N 1.346 121.455 120.400 -0.484 0.000 2.211 415 K HA -0.051 4.278 4.320 0.015 0.000 0.203 415 K C 0.251 176.484 176.600 -0.612 0.000 1.050 415 K CA 1.583 57.306 56.287 -0.940 0.000 0.945 415 K CB -0.342 31.835 32.500 -0.538 0.000 0.732 415 K HN 0.474 nan 8.250 nan 0.000 0.451 416 D N 1.428 121.646 120.400 -0.304 0.000 2.310 416 D HA -0.092 4.557 4.640 0.015 0.000 0.212 416 D C 1.395 177.613 176.300 -0.137 0.000 0.965 416 D CA 1.759 55.660 54.000 -0.165 0.000 0.879 416 D CB 0.269 41.010 40.800 -0.099 0.000 0.921 416 D HN 0.622 nan 8.370 nan 0.000 0.510 417 T N -3.284 111.171 114.554 -0.165 0.000 3.058 417 T HA 0.038 4.397 4.350 0.015 0.000 0.278 417 T C 0.799 175.398 174.700 -0.169 0.000 0.974 417 T CA -0.574 61.458 62.100 -0.114 0.000 0.893 417 T CB -0.250 68.598 68.868 -0.034 0.000 1.138 417 T HN 0.379 nan 8.240 nan 0.000 0.529 418 H N 0.115 119.077 119.070 -0.180 0.000 2.639 418 H HA 0.386 4.951 4.556 0.015 0.000 0.373 418 H C -0.043 175.050 175.328 -0.393 0.000 1.372 418 H CA -0.447 55.503 56.048 -0.164 0.000 1.448 418 H CB 0.485 30.276 29.762 0.047 0.000 1.544 418 H HN 0.209 nan 8.280 nan 0.000 0.615 419 H N -1.787 117.365 119.070 0.136 0.000 2.581 419 H HA 0.198 4.763 4.556 0.015 0.000 0.275 419 H C -0.243 174.953 175.328 -0.220 0.000 1.126 419 H CA -0.403 55.628 56.048 -0.028 0.000 1.097 419 H CB -0.100 29.612 29.762 -0.084 0.000 1.626 419 H HN 0.526 nan 8.280 nan 0.000 0.565 420 H N -0.018 118.776 119.070 -0.459 0.000 2.690 420 H HA 0.222 4.787 4.556 0.015 0.000 0.365 420 H C 0.887 176.033 175.328 -0.303 0.000 1.142 420 H CA 0.487 56.251 56.048 -0.474 0.000 1.417 420 H CB 1.610 30.929 29.762 -0.738 0.000 1.446 420 H HN 0.409 nan 8.280 nan 0.000 0.599 421 A N 3.315 126.091 122.820 -0.073 0.000 2.119 421 A HA 0.010 4.339 4.320 0.015 0.000 0.216 421 A C 1.013 178.615 177.584 0.030 0.000 1.152 421 A CA 0.336 52.359 52.037 -0.024 0.000 0.708 421 A CB -0.287 18.681 19.000 -0.053 0.000 0.805 421 A HN 0.434 nan 8.150 nan 0.000 0.460 422 V N -3.093 116.846 119.914 0.042 0.000 2.732 422 V HA 0.632 4.761 4.120 0.015 0.000 0.297 422 V C 0.320 176.538 176.094 0.206 0.000 1.060 422 V CA 0.055 62.411 62.300 0.093 0.000 1.038 422 V CB 0.944 32.806 31.823 0.065 0.000 1.003 422 V HN 0.369 nan 8.190 nan 0.000 0.481 423 D N 2.725 123.240 120.400 0.192 0.000 2.538 423 D HA 0.522 5.171 4.640 0.015 0.000 0.234 423 D C -0.448 175.994 176.300 0.237 0.000 1.191 423 D CA -0.073 54.046 54.000 0.198 0.000 0.828 423 D CB -0.194 40.689 40.800 0.138 0.000 0.981 423 D HN 0.688 nan 8.370 nan 0.000 0.490 424 F N 0.077 120.064 119.950 0.062 0.000 2.665 424 F HA 0.464 5.000 4.527 0.015 0.000 0.308 424 F C -1.738 174.031 175.800 -0.051 0.000 1.112 424 F CA -1.221 56.757 58.000 -0.036 0.000 0.972 424 F CB 2.267 41.214 39.000 -0.088 0.000 1.295 424 F HN -0.031 nan 8.300 nan 0.000 0.440 425 N N 5.029 123.324 118.700 -0.676 0.000 2.352 425 N HA 0.319 5.068 4.740 0.015 0.000 0.291 425 N C 0.618 175.657 175.510 -0.784 0.000 1.040 425 N CA -0.428 52.329 53.050 -0.487 0.000 0.864 425 N CB 1.892 40.237 38.487 -0.237 0.000 1.440 425 N HN 0.839 nan 8.380 nan 0.000 0.483 426 I N -0.318 119.798 120.570 -0.758 0.000 2.676 426 I HA 0.065 4.244 4.170 0.015 0.000 0.259 426 I C 0.237 175.967 176.117 -0.645 0.000 1.194 426 I CA 0.982 61.675 61.300 -1.012 0.000 1.473 426 I CB -0.209 36.949 38.000 -1.403 0.000 1.096 426 I HN 0.169 nan 8.210 nan 0.000 0.443 427 F N 1.826 121.682 119.950 -0.156 0.000 2.664 427 F HA 0.308 4.844 4.527 0.015 0.000 0.301 427 F C 0.975 176.741 175.800 -0.057 0.000 1.126 427 F CA -0.763 57.211 58.000 -0.042 0.000 1.373 427 F CB -1.020 37.977 39.000 -0.006 0.000 1.042 427 F HN 0.058 nan 8.300 nan 0.000 0.535 428 E N 0.783 120.949 120.200 -0.056 0.000 2.608 428 E HA 0.255 4.614 4.350 0.015 0.000 0.259 428 E C 1.450 178.071 176.600 0.035 0.000 0.951 428 E CA 1.092 57.447 56.400 -0.075 0.000 0.945 428 E CB 0.115 29.686 29.700 -0.214 0.000 0.916 428 E HN 0.491 nan 8.360 nan 0.000 0.477 429 G N 4.001 112.820 108.800 0.032 0.000 2.184 429 G HA2 -0.303 3.666 3.960 0.015 0.000 0.264 429 G HA3 -0.303 3.666 3.960 0.015 0.000 0.264 429 G C 0.361 175.310 174.900 0.082 0.000 0.975 429 G CA 0.231 45.364 45.100 0.055 0.000 0.642 429 G HN 0.545 nan 8.290 nan 0.000 0.536 430 I N 1.248 121.884 120.570 0.110 0.000 2.396 430 I HA 0.204 4.383 4.170 0.015 0.000 0.289 430 I C 0.838 177.009 176.117 0.091 0.000 1.056 430 I CA -0.179 61.196 61.300 0.125 0.000 1.365 430 I CB 1.114 39.224 38.000 0.183 0.000 1.407 430 I HN 0.002 nan 8.210 nan 0.000 0.509 431 K N 7.201 127.649 120.400 0.080 0.000 2.258 431 K HA 0.467 4.796 4.320 0.015 0.000 0.284 431 K C -0.829 175.815 176.600 0.074 0.000 1.051 431 K CA -0.467 55.859 56.287 0.065 0.000 0.923 431 K CB 1.091 33.625 32.500 0.056 0.000 1.046 431 K HN 0.516 nan 8.250 nan 0.000 0.474 432 V N 0.529 120.481 119.914 0.063 0.000 2.769 432 V HA 0.607 4.736 4.120 0.015 0.000 0.312 432 V C -0.643 175.489 176.094 0.063 0.000 1.061 432 V CA -0.648 61.703 62.300 0.084 0.000 0.931 432 V CB 1.873 33.741 31.823 0.075 0.000 1.010 432 V HN 0.689 nan 8.190 nan 0.000 0.433 433 T N 2.596 117.218 114.554 0.113 0.000 2.864 433 T HA 0.802 5.161 4.350 0.015 0.000 0.299 433 T C 0.062 174.808 174.700 0.077 0.000 1.011 433 T CA 0.148 62.292 62.100 0.074 0.000 0.975 433 T CB 0.659 69.595 68.868 0.113 0.000 0.962 433 T HN 2.041 nan 8.240 nan 0.000 0.448 434 G N 3.604 112.271 108.800 -0.222 0.000 2.949 434 G HA2 0.132 4.101 3.960 0.015 0.000 0.658 434 G HA3 0.132 4.101 3.960 0.015 0.000 0.658 434 G C -0.737 173.561 174.900 -1.003 0.000 1.194 434 G CA -0.584 44.093 45.100 -0.704 0.000 1.204 434 G HN 1.036 nan 8.290 nan 0.000 0.524 435 I N -0.488 119.228 120.570 -1.424 0.000 3.074 435 I HA 0.931 5.110 4.170 0.015 0.000 0.310 435 I C 0.385 175.525 176.117 -1.628 0.000 1.153 435 I CA -1.589 58.876 61.300 -1.391 0.000 0.993 435 I CB 2.258 39.919 38.000 -0.564 0.000 1.237 435 I HN 1.104 nan 8.210 nan 0.000 0.443 436 A N 2.962 125.169 122.820 -1.022 0.000 2.451 436 A HA 0.476 4.805 4.320 0.015 0.000 0.266 436 A C 0.775 178.330 177.584 -0.048 0.000 1.119 436 A CA 0.126 51.961 52.037 -0.337 0.000 0.786 436 A CB 0.308 19.309 19.000 0.002 0.000 1.061 436 A HN 1.128 nan 8.150 nan 0.000 0.503 437 V N 0.454 120.341 119.914 -0.045 0.000 3.379 437 V HA 0.290 4.419 4.120 0.015 0.000 0.249 437 V C 0.564 176.662 176.094 0.007 0.000 1.184 437 V CA 1.070 63.366 62.300 -0.006 0.000 1.106 437 V CB -0.399 31.346 31.823 -0.130 0.000 0.826 437 V HN 0.635 nan 8.190 nan 0.000 0.465 438 T N 1.114 115.722 114.554 0.090 0.000 2.971 438 T HA 0.576 4.935 4.350 0.015 0.000 0.304 438 T C -0.589 174.229 174.700 0.197 0.000 1.038 438 T CA -0.150 62.011 62.100 0.103 0.000 1.007 438 T CB 2.014 70.882 68.868 0.001 0.000 1.055 438 T HN 0.348 nan 8.240 nan 0.000 0.451 439 T N 3.088 117.796 114.554 0.257 0.000 2.856 439 T HA 0.724 5.083 4.350 0.015 0.000 0.283 439 T C -0.403 174.373 174.700 0.128 0.000 1.008 439 T CA -0.588 61.624 62.100 0.187 0.000 0.997 439 T CB 0.860 69.838 68.868 0.183 0.000 0.992 439 T HN 0.452 nan 8.240 nan 0.000 0.454 440 I N 2.417 123.043 120.570 0.094 0.000 2.478 440 I HA 0.464 4.643 4.170 0.015 0.000 0.287 440 I C -0.903 175.254 176.117 0.066 0.000 1.042 440 I CA -0.984 60.357 61.300 0.068 0.000 1.067 440 I CB 2.022 40.052 38.000 0.050 0.000 1.233 440 I HN 0.273 nan 8.210 nan 0.000 0.431 441 V N 5.604 125.555 119.914 0.062 0.000 2.448 441 V HA 0.551 4.680 4.120 0.015 0.000 0.295 441 V C 0.685 176.809 176.094 0.050 0.000 1.025 441 V CA -0.557 61.780 62.300 0.062 0.000 0.859 441 V CB 1.494 33.358 31.823 0.069 0.000 0.988 441 V HN 0.980 nan 8.190 nan 0.000 0.431 442 A N 4.123 126.970 122.820 0.046 0.000 2.687 442 A HA 0.022 4.351 4.320 0.015 0.000 0.299 442 A C 1.708 179.309 177.584 0.028 0.000 1.497 442 A CA 1.364 53.422 52.037 0.035 0.000 0.751 442 A CB -1.570 17.453 19.000 0.038 0.000 1.048 442 A HN 2.680 nan 8.150 nan 0.000 0.464 443 G N -1.798 107.018 108.800 0.027 0.000 2.168 443 G HA2 -0.297 3.672 3.960 0.015 0.000 0.263 443 G HA3 -0.297 3.672 3.960 0.015 0.000 0.263 443 G C -0.126 174.787 174.900 0.022 0.000 0.977 443 G CA 0.592 45.705 45.100 0.022 0.000 0.659 443 G HN 1.288 nan 8.290 nan 0.000 0.533 444 N N -0.189 118.527 118.700 0.027 0.000 2.321 444 N HA 0.517 5.266 4.740 0.015 0.000 0.299 444 N C 0.149 175.678 175.510 0.031 0.000 1.048 444 N CA -0.603 52.462 53.050 0.025 0.000 0.836 444 N CB 1.469 39.971 38.487 0.025 0.000 1.269 444 N HN 0.179 nan 8.380 nan 0.000 0.486 445 I N 1.869 122.453 120.570 0.023 0.000 2.517 445 I HA -0.031 4.148 4.170 0.015 0.000 0.285 445 I C 1.551 177.691 176.117 0.040 0.000 1.106 445 I CA -0.122 61.194 61.300 0.028 0.000 1.402 445 I CB 0.636 38.637 38.000 0.001 0.000 1.399 445 I HN 0.406 nan 8.210 nan 0.000 0.535 446 V N 3.985 123.945 119.914 0.076 0.000 3.612 446 V HA 0.291 4.420 4.120 0.015 0.000 0.268 446 V C -0.021 176.186 176.094 0.188 0.000 1.365 446 V CA -0.315 62.043 62.300 0.097 0.000 1.044 446 V CB 0.395 32.268 31.823 0.084 0.000 0.820 446 V HN 0.805 nan 8.190 nan 0.000 0.444 447 W N 1.968 123.239 121.300 -0.049 0.000 3.042 447 W HA 0.710 5.379 4.660 0.016 0.000 0.337 447 W C -1.292 175.192 176.519 -0.059 0.000 1.086 447 W CA 0.162 57.465 57.345 -0.070 0.000 1.236 447 W CB 2.090 31.499 29.460 -0.086 0.000 1.381 447 W HN 0.277 nan 8.180 nan 0.000 0.472 448 S N 3.504 118.825 115.700 -0.632 0.000 2.586 448 S HA 0.252 4.731 4.470 0.015 0.000 0.277 448 S C -0.817 173.414 174.600 -0.614 0.000 1.131 448 S CA -0.482 57.397 58.200 -0.535 0.000 0.848 448 S CB 1.541 64.596 63.200 -0.242 0.000 1.091 448 S HN 0.512 nan 8.310 nan 0.000 0.453 449 D N 1.203 121.330 120.400 -0.456 0.000 2.701 449 D HA -0.173 4.476 4.640 0.015 0.000 0.235 449 D C 0.445 176.481 176.300 -0.440 0.000 1.155 449 D CA 1.859 55.650 54.000 -0.349 0.000 0.649 449 D CB -1.668 38.990 40.800 -0.235 0.000 1.050 449 D HN 0.965 nan 8.370 nan 0.000 0.425 450 N N -1.293 116.993 118.700 -0.690 0.000 2.714 450 N HA -0.270 4.479 4.740 0.015 0.000 0.250 450 N C -0.764 174.283 175.510 -0.771 0.000 1.117 450 N CA 1.916 54.535 53.050 -0.719 0.000 0.719 450 N CB -0.384 37.979 38.487 -0.208 0.000 1.081 450 N HN 0.791 nan 8.380 nan 0.000 0.557 451 K N -0.965 118.867 120.400 -0.947 0.000 2.469 451 K HA 0.567 4.896 4.320 0.015 0.000 0.254 451 K C -0.657 175.786 176.600 -0.262 0.000 0.939 451 K CA -1.016 55.023 56.287 -0.413 0.000 0.812 451 K CB 1.519 33.899 32.500 -0.200 0.000 1.301 451 K HN -0.003 nan 8.250 nan 0.000 0.433 452 L N 1.738 123.007 121.223 0.076 0.000 2.350 452 L HA 0.282 4.630 4.340 0.015 0.000 0.275 452 L C 0.026 176.929 176.870 0.056 0.000 1.099 452 L CA -0.350 54.590 54.840 0.167 0.000 0.808 452 L CB 1.597 43.755 42.059 0.165 0.000 1.149 452 L HN 0.978 nan 8.230 nan 0.000 0.442 453 S N 0.111 115.844 115.700 0.054 0.000 2.399 453 S HA 0.302 4.781 4.470 0.015 0.000 0.198 453 S C -0.301 174.317 174.600 0.031 0.000 1.294 453 S CA -0.874 57.340 58.200 0.024 0.000 1.237 453 S CB -0.073 63.127 63.200 -0.000 0.000 1.286 453 S HN 0.489 nan 8.310 nan 0.000 0.404 454 C N 1.209 120.529 119.300 0.033 0.000 2.500 454 C HA 0.688 5.157 4.460 0.015 0.000 0.367 454 C C 0.645 175.642 174.990 0.012 0.000 1.283 454 C CA -0.389 58.642 59.018 0.022 0.000 2.456 454 C CB 0.729 28.474 27.740 0.009 0.000 2.457 454 C HN 0.605 nan 8.230 nan 0.000 0.632 455 V N 2.682 122.602 119.914 0.010 0.000 2.376 455 V HA 0.272 4.401 4.120 0.015 0.000 0.287 455 V C 0.190 176.284 176.094 0.000 0.000 1.015 455 V CA -0.567 61.736 62.300 0.006 0.000 0.834 455 V CB 1.185 33.014 31.823 0.011 0.000 1.001 455 V HN 0.830 nan 8.190 nan 0.000 0.428 456 K N 3.555 123.951 120.400 -0.007 0.000 2.472 456 K HA 0.261 4.590 4.320 0.015 0.000 0.280 456 K C 1.175 177.769 176.600 -0.010 0.000 1.028 456 K CA 1.210 57.488 56.287 -0.015 0.000 1.045 456 K CB 0.194 32.684 32.500 -0.018 0.000 0.902 456 K HN 1.159 nan 8.250 nan 0.000 0.478 457 G N 2.753 111.543 108.800 -0.015 0.000 2.155 457 G HA2 -0.287 3.682 3.960 0.015 0.000 0.257 457 G HA3 -0.287 3.682 3.960 0.015 0.000 0.257 457 G C 0.794 175.704 174.900 0.016 0.000 0.983 457 G CA 0.608 45.704 45.100 -0.006 0.000 0.676 457 G HN 0.646 nan 8.290 nan 0.000 0.528 458 S N -0.117 115.594 115.700 0.019 0.000 2.383 458 S HA 0.200 4.679 4.470 0.015 0.000 0.227 458 S C 1.937 176.569 174.600 0.054 0.000 1.026 458 S CA 0.912 59.132 58.200 0.033 0.000 0.981 458 S CB -0.196 63.022 63.200 0.029 0.000 0.818 458 S HN 1.403 nan 8.310 nan 0.000 0.472 459 G N 1.318 110.156 108.800 0.064 0.000 2.554 459 G HA2 0.394 4.363 3.960 0.015 0.000 0.238 459 G HA3 0.394 4.363 3.960 0.015 0.000 0.238 459 G C -0.322 174.674 174.900 0.160 0.000 1.259 459 G CA -0.435 44.731 45.100 0.110 0.000 0.843 459 G HN 0.352 nan 8.290 nan 0.000 0.582 460 R N -0.141 120.462 120.500 0.171 0.000 2.778 460 R HA 0.385 4.734 4.340 0.015 0.000 0.277 460 R C -0.879 175.471 176.300 0.083 0.000 0.977 460 R CA -0.833 55.361 56.100 0.158 0.000 0.950 460 R CB 1.973 32.329 30.300 0.095 0.000 1.165 460 R HN 0.489 nan 8.270 nan 0.000 0.474 461 F N 1.898 121.735 119.950 -0.187 0.000 2.484 461 F HA 0.241 4.776 4.527 0.015 0.000 0.360 461 F C -0.496 175.149 175.800 -0.258 0.000 1.101 461 F CA -0.213 57.430 58.000 -0.596 0.000 1.251 461 F CB 0.822 39.520 39.000 -0.503 0.000 1.132 461 F HN 0.065 nan 8.300 nan 0.000 0.570 462 V N 8.382 127.728 119.914 -0.946 0.000 2.334 462 V HA 0.338 4.467 4.120 0.015 0.000 0.281 462 V C -2.051 173.534 176.094 -0.849 0.000 1.016 462 V CA -1.792 60.174 62.300 -0.558 0.000 0.832 462 V CB 1.048 32.790 31.823 -0.136 0.000 0.999 462 V HN 0.653 nan 8.190 nan 0.000 0.439 463 P HA 0.332 nan 4.420 nan 0.000 0.274 463 P C -0.838 176.362 177.300 -0.166 0.000 1.231 463 P CA -0.466 62.503 63.100 -0.217 0.000 0.790 463 P CB 0.864 32.591 31.700 0.045 0.000 0.951 464 R N 2.242 122.679 120.500 -0.106 0.000 2.412 464 R HA 0.411 4.760 4.340 0.015 0.000 0.304 464 R C -2.505 173.769 176.300 -0.043 0.000 1.066 464 R CA -2.035 54.018 56.100 -0.078 0.000 0.923 464 R CB 1.132 31.384 30.300 -0.082 0.000 1.156 464 R HN 0.351 nan 8.270 nan 0.000 0.513 465 P HA 0.024 nan 4.420 nan 0.000 0.267 465 P C -2.245 175.038 177.300 -0.029 0.000 1.200 465 P CA -0.904 62.189 63.100 -0.012 0.000 0.772 465 P CB 0.209 31.913 31.700 0.006 0.000 0.855 466 P HA 0.148 nan 4.420 nan 0.000 0.275 466 P C -0.309 176.946 177.300 -0.075 0.000 1.266 466 P CA -0.226 62.778 63.100 -0.161 0.000 0.793 466 P CB 0.174 31.747 31.700 -0.210 0.000 1.074 467 F N -3.045 116.734 119.950 -0.285 0.000 3.039 467 F HA -0.164 4.372 4.527 0.015 0.000 0.287 467 F C 1.368 177.146 175.800 -0.036 0.000 0.956 467 F CA 0.982 58.803 58.000 -0.298 0.000 0.971 467 F CB -2.276 36.558 39.000 -0.277 0.000 0.943 467 F HN 0.414 nan 8.300 nan 0.000 0.766 468 G N -0.087 108.791 108.800 0.129 0.000 2.553 468 G HA2 0.401 4.370 3.960 0.015 0.000 0.278 468 G HA3 0.401 4.370 3.960 0.015 0.000 0.278 468 G C -1.258 173.737 174.900 0.157 0.000 1.349 468 G CA -0.536 44.633 45.100 0.116 0.000 1.037 468 G HN 0.076 nan 8.290 nan 0.000 0.508 469 P HA -0.182 nan 4.420 nan 0.000 0.218 469 P C 2.102 179.431 177.300 0.048 0.000 1.150 469 P CA 1.975 65.103 63.100 0.046 0.000 0.841 469 P CB -0.176 31.510 31.700 -0.024 0.000 0.784 470 V N -5.673 114.239 119.914 -0.003 0.000 3.078 470 V HA -0.100 4.029 4.120 0.015 0.000 0.265 470 V C 1.530 177.545 176.094 -0.133 0.000 1.122 470 V CA 1.558 63.812 62.300 -0.077 0.000 1.141 470 V CB -1.678 29.971 31.823 -0.290 0.000 0.735 470 V HN -0.052 nan 8.190 nan 0.000 0.498 471 F N 0.234 120.203 119.950 0.031 0.000 2.695 471 F HA 0.393 4.929 4.527 0.014 0.000 0.303 471 F C 0.741 176.592 175.800 0.086 0.000 1.091 471 F CA -0.829 57.221 58.000 0.083 0.000 1.300 471 F CB 0.030 39.133 39.000 0.173 0.000 1.071 471 F HN 0.148 nan 8.300 nan 0.000 0.578 472 D N 0.159 120.663 120.400 0.173 0.000 2.425 472 D HA 0.349 4.998 4.640 0.015 0.000 0.247 472 D C 1.395 177.739 176.300 0.073 0.000 1.147 472 D CA 1.276 55.345 54.000 0.115 0.000 0.879 472 D CB 1.011 41.857 40.800 0.077 0.000 1.179 472 D HN 0.357 nan 8.370 nan 0.000 0.456 473 G N 1.868 110.708 108.800 0.066 0.000 2.268 473 G HA2 -0.323 3.646 3.960 0.015 0.000 0.240 473 G HA3 -0.323 3.646 3.960 0.015 0.000 0.240 473 G C 1.221 176.149 174.900 0.045 0.000 1.010 473 G CA 0.218 45.342 45.100 0.041 0.000 0.618 473 G HN 0.533 nan 8.290 nan 0.000 0.516 474 I N 1.334 121.949 120.570 0.075 0.000 2.353 474 I HA 0.067 4.246 4.170 0.015 0.000 0.248 474 I C 3.123 179.296 176.117 0.093 0.000 1.119 474 I CA 1.989 63.337 61.300 0.080 0.000 1.417 474 I CB -0.561 37.511 38.000 0.120 0.000 1.078 474 I HN 0.468 nan 8.210 nan 0.000 0.421 475 E N 0.761 121.023 120.200 0.103 0.000 2.085 475 E HA -0.341 4.018 4.350 0.015 0.000 0.194 475 E C 1.999 178.626 176.600 0.044 0.000 0.994 475 E CA 1.830 58.271 56.400 0.069 0.000 0.801 475 E CB -0.783 28.945 29.700 0.046 0.000 0.743 475 E HN 0.496 nan 8.360 nan 0.000 0.453 476 Q N -0.041 119.781 119.800 0.037 0.000 2.079 476 Q HA -0.050 4.299 4.340 0.015 0.000 0.200 476 Q C 2.303 178.317 176.000 0.023 0.000 0.974 476 Q CA 1.824 57.642 55.803 0.025 0.000 0.840 476 Q CB -0.118 28.631 28.738 0.020 0.000 0.898 476 Q HN 0.594 nan 8.270 nan 0.000 0.430 477 R N 0.139 120.654 120.500 0.024 0.000 2.083 477 R HA -0.151 4.198 4.340 0.015 0.000 0.237 477 R C 1.809 178.124 176.300 0.024 0.000 1.137 477 R CA 1.521 57.632 56.100 0.018 0.000 0.951 477 R CB -0.313 29.993 30.300 0.010 0.000 0.851 477 R HN 0.392 nan 8.270 nan 0.000 0.434 478 D N 0.345 120.766 120.400 0.035 0.000 2.123 478 D HA -0.179 4.470 4.640 0.015 0.000 0.196 478 D C 1.703 178.021 176.300 0.031 0.000 0.992 478 D CA 1.095 55.118 54.000 0.039 0.000 0.833 478 D CB -0.119 40.712 40.800 0.052 0.000 0.954 478 D HN 0.178 nan 8.370 nan 0.000 0.455 479 K N 0.730 121.146 120.400 0.026 0.000 2.009 479 K HA -0.144 4.185 4.320 0.015 0.000 0.210 479 K C 2.155 178.765 176.600 0.017 0.000 1.049 479 K CA 1.631 57.931 56.287 0.020 0.000 0.929 479 K CB -0.031 32.479 32.500 0.017 0.000 0.714 479 K HN 0.143 nan 8.250 nan 0.000 0.440 480 V N -1.478 118.446 119.914 0.016 0.000 2.667 480 V HA -0.062 4.067 4.120 0.015 0.000 0.252 480 V C 1.781 177.884 176.094 0.014 0.000 1.065 480 V CA 1.158 63.466 62.300 0.013 0.000 1.083 480 V CB -0.549 31.280 31.823 0.010 0.000 0.692 480 V HN 0.215 nan 8.190 nan 0.000 0.468 481 R N 0.906 121.417 120.500 0.017 0.000 2.297 481 R HA 0.154 4.503 4.340 0.015 0.000 0.197 481 R C 0.754 177.068 176.300 0.023 0.000 0.943 481 R CA 0.105 56.217 56.100 0.020 0.000 1.038 481 R CB -0.398 29.916 30.300 0.022 0.000 0.957 481 R HN 0.557 nan 8.270 nan 0.000 0.484 482 N N 2.345 121.059 118.700 0.023 0.000 2.236 482 N HA -0.130 4.619 4.740 0.015 0.000 0.274 482 N C 0.213 175.736 175.510 0.022 0.000 1.339 482 N CA 0.489 53.553 53.050 0.024 0.000 0.845 482 N CB 0.747 39.246 38.487 0.021 0.000 1.091 482 N HN 0.052 nan 8.380 nan 0.000 0.489 483 E N 2.925 123.140 120.200 0.025 0.000 2.338 483 E HA -0.042 4.317 4.350 0.015 0.000 0.197 483 E C 1.390 178.001 176.600 0.019 0.000 1.007 483 E CA 0.561 56.974 56.400 0.022 0.000 0.849 483 E CB 0.010 29.725 29.700 0.025 0.000 0.774 483 E HN 0.655 nan 8.360 nan 0.000 0.506 484 L N 0.051 121.286 121.223 0.019 0.000 2.275 484 L HA -0.125 4.224 4.340 0.015 0.000 0.215 484 L C 1.887 178.765 176.870 0.014 0.000 1.119 484 L CA 0.628 55.478 54.840 0.016 0.000 0.790 484 L CB -0.316 41.754 42.059 0.017 0.000 0.919 484 L HN 0.215 nan 8.230 nan 0.000 0.443 485 L N -0.509 120.722 121.223 0.014 0.000 2.353 485 L HA -0.147 4.202 4.340 0.015 0.000 0.220 485 L C 2.000 178.877 176.870 0.010 0.000 1.133 485 L CA 1.058 55.905 54.840 0.011 0.000 0.798 485 L CB -0.258 41.808 42.059 0.011 0.000 0.922 485 L HN 0.231 nan 8.230 nan 0.000 0.445 486 R N -0.514 119.993 120.500 0.011 0.000 2.543 486 R HA 0.113 4.462 4.340 0.015 0.000 0.323 486 R C 0.342 176.648 176.300 0.010 0.000 1.002 486 R CA -0.195 55.912 56.100 0.010 0.000 1.106 486 R CB 0.478 30.785 30.300 0.011 0.000 1.280 486 R HN 0.067 nan 8.270 nan 0.000 0.549 487 K N 1.448 121.855 120.400 0.011 0.000 2.298 487 K HA 0.166 4.495 4.320 0.015 0.000 0.280 487 K C -0.410 176.195 176.600 0.009 0.000 1.032 487 K CA -0.205 56.088 56.287 0.010 0.000 0.958 487 K CB 1.031 33.538 32.500 0.011 0.000 0.978 487 K HN -0.189 nan 8.250 nan 0.000 0.472 488 V N 4.085 124.004 119.914 0.008 0.000 2.461 488 V HA 0.016 4.145 4.120 0.015 0.000 0.275 488 V C -0.138 175.960 176.094 0.007 0.000 1.047 488 V CA -0.517 61.787 62.300 0.007 0.000 0.955 488 V CB 1.122 32.948 31.823 0.006 0.000 0.988 488 V HN 0.810 nan 8.190 nan 0.000 0.471 489 D N 5.553 125.956 120.400 0.006 0.000 2.352 489 D HA 0.256 4.905 4.640 0.015 0.000 0.245 489 D C 0.339 176.642 176.300 0.005 0.000 1.224 489 D CA 0.061 54.065 54.000 0.006 0.000 0.879 489 D CB 0.325 41.128 40.800 0.006 0.000 1.057 489 D HN 0.464 nan 8.370 nan 0.000 0.491 490 R N 0.000 120.503 120.500 0.005 0.000 2.786 490 R HA 0.000 4.349 4.340 0.015 0.000 0.208 490 R CA 0.000 56.103 56.100 0.005 0.000 0.921 490 R CB 0.000 30.303 30.300 0.005 0.000 0.687 490 R HN 0.000 nan 8.270 nan 0.000 0.535