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 2ah0_1_A DATA FIRST_RESID 73 DATA SEQUENCE REVLTGGHSV SAPQENRIYV MDSVFMHLTE SRVHVYDYTN GKFLGMVPTA DATA SEQUENCE FNGHVQVSND GKKIYTMTTY HERITRGKRS DVVEVWDADK LTFEKEISLP DATA SEQUENCE PKRVQGLNYD GLFRQTTDGK FIVLQNASPA TSIGIVDVAK GDYVEDVTAA DATA SEQUENCE AGcWSVIPQP NRPRSFMTIc GDGGLLTINL GEDGKVASQS RSKQMFSVKD DATA SEQUENCE DPIFIAPALD KDKAHFVSYY GNVYSADFSG DEVKVDGPWS LLNDEDKAKN DATA SEQUENCE WVPGGYNLVG LHRASGRMYV FMHPDGKEGT HKFPAAEIWV MDTKTKQRVA DATA SEQUENCE RIPGRDALSM TIDQQRNLML TLDGGNVNVY DISQPEPKLL RTIEGAAEAS DATA SEQUENCE LQVQFHPVGG 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 73 R HA 0.000 nan 4.340 nan 0.000 0.208 73 R C 0.000 176.305 176.300 0.008 0.000 0.893 73 R CA 0.000 56.103 56.100 0.006 0.000 0.921 73 R CB 0.000 30.304 30.300 0.006 0.000 0.687 74 E N 1.771 121.976 120.200 0.008 0.000 2.390 74 E HA 0.335 4.687 4.350 0.004 0.000 0.261 74 E C -0.734 175.875 176.600 0.015 0.000 1.076 74 E CA -0.415 55.992 56.400 0.010 0.000 0.905 74 E CB 1.625 31.330 29.700 0.008 0.000 0.984 74 E HN 0.241 nan 8.360 nan 0.000 0.427 75 V N 3.147 123.073 119.914 0.021 0.000 2.623 75 V HA 0.135 4.257 4.120 0.004 0.000 0.304 75 V C -0.741 175.376 176.094 0.039 0.000 1.054 75 V CA -0.883 61.433 62.300 0.026 0.000 0.882 75 V CB 1.630 33.469 31.823 0.026 0.000 1.002 75 V HN 0.476 nan 8.190 nan 0.000 0.424 76 L N 5.758 127.004 121.223 0.039 0.000 2.410 76 L HA 0.633 4.976 4.340 0.004 0.000 0.273 76 L C 0.506 177.420 176.870 0.073 0.000 1.152 76 L CA 1.001 55.874 54.840 0.055 0.000 0.855 76 L CB 1.042 43.127 42.059 0.044 0.000 1.129 76 L HN 0.951 nan 8.230 nan 0.000 0.463 77 T N 1.863 116.495 114.554 0.130 0.000 2.907 77 T HA 0.896 5.249 4.350 0.004 0.000 0.292 77 T C 0.037 174.831 174.700 0.156 0.000 1.043 77 T CA -0.291 61.889 62.100 0.133 0.000 1.003 77 T CB 1.592 70.563 68.868 0.171 0.000 1.084 77 T HN 0.783 nan 8.240 nan 0.000 0.483 78 G N -1.187 107.611 108.800 -0.003 0.000 2.938 78 G HA2 0.609 4.571 3.960 0.004 0.000 0.258 78 G HA3 0.609 4.571 3.960 0.004 0.000 0.258 78 G C 0.793 175.506 174.900 -0.311 0.000 1.356 78 G CA -0.577 44.498 45.100 -0.040 0.000 1.052 78 G HN 1.952 nan 8.290 nan 0.000 0.550 79 G N -1.659 107.029 108.800 -0.187 0.000 2.141 79 G HA2 -0.213 3.749 3.960 0.004 0.000 0.242 79 G HA3 -0.213 3.749 3.960 0.004 0.000 0.242 79 G C 0.331 175.101 174.900 -0.216 0.000 0.982 79 G CA 0.437 45.419 45.100 -0.196 0.000 0.662 79 G HN 0.794 nan 8.290 nan 0.000 0.527 80 H N 0.471 119.561 119.070 0.033 0.000 2.505 80 H HA 0.601 5.158 4.556 0.001 0.000 0.355 80 H C 0.435 175.783 175.328 0.032 0.000 1.179 80 H CA 0.498 56.563 56.048 0.027 0.000 1.343 80 H CB 1.452 31.228 29.762 0.023 0.000 1.501 80 H HN 0.212 nan 8.280 nan 0.000 0.569 81 S N 0.433 116.228 115.700 0.159 0.000 2.687 81 S HA 0.207 4.679 4.470 0.004 0.000 0.283 81 S C 0.204 174.848 174.600 0.073 0.000 1.170 81 S CA -0.893 57.365 58.200 0.096 0.000 1.008 81 S CB 1.550 64.791 63.200 0.067 0.000 1.026 81 S HN 0.291 nan 8.310 nan 0.000 0.541 82 V N 2.940 122.883 119.914 0.047 0.000 2.694 82 V HA -0.010 4.112 4.120 0.004 0.000 0.306 82 V C 1.589 177.677 176.094 -0.009 0.000 1.054 82 V CA 0.679 62.983 62.300 0.008 0.000 1.161 82 V CB 0.941 32.761 31.823 -0.004 0.000 0.916 82 V HN 1.125 nan 8.190 nan 0.000 0.490 83 S N 2.959 118.641 115.700 -0.030 0.000 2.489 83 S HA 0.215 4.688 4.470 0.004 0.000 0.228 83 S C 0.716 175.290 174.600 -0.043 0.000 0.995 83 S CA 0.361 58.541 58.200 -0.034 0.000 0.934 83 S CB 0.075 63.249 63.200 -0.042 0.000 0.771 83 S HN 1.067 nan 8.310 nan 0.000 0.522 84 A N 2.543 125.329 122.820 -0.056 0.000 2.337 84 A HA 0.772 5.094 4.320 0.004 0.000 0.331 84 A C -2.704 174.840 177.584 -0.068 0.000 1.137 84 A CA -2.306 49.691 52.037 -0.066 0.000 0.807 84 A CB 0.592 19.541 19.000 -0.085 0.000 1.250 84 A HN 0.278 nan 8.150 nan 0.000 0.468 85 P HA 0.060 nan 4.420 nan 0.000 0.269 85 P C 0.264 177.502 177.300 -0.104 0.000 1.215 85 P CA 0.086 63.144 63.100 -0.070 0.000 0.780 85 P CB 0.574 32.243 31.700 -0.052 0.000 0.898 86 Q N 1.101 120.802 119.800 -0.165 0.000 2.133 86 Q HA -0.235 4.107 4.340 0.004 0.000 0.208 86 Q C 1.883 177.778 176.000 -0.176 0.000 0.991 86 Q CA 1.998 57.576 55.803 -0.375 0.000 0.867 86 Q CB -0.161 28.244 28.738 -0.556 0.000 0.911 86 Q HN 0.657 nan 8.270 nan 0.000 0.417 87 E N 0.047 120.225 120.200 -0.037 0.000 2.401 87 E HA -0.170 4.183 4.350 0.004 0.000 0.199 87 E C 0.840 177.556 176.600 0.192 0.000 1.023 87 E CA 0.953 57.411 56.400 0.097 0.000 0.859 87 E CB -0.074 29.668 29.700 0.070 0.000 0.780 87 E HN 0.278 nan 8.360 nan 0.000 0.523 88 N N 0.494 119.228 118.700 0.058 0.000 2.353 88 N HA 0.073 4.816 4.740 0.004 0.000 0.185 88 N C -0.210 175.358 175.510 0.096 0.000 1.098 88 N CA 0.146 53.159 53.050 -0.062 0.000 0.872 88 N CB 0.336 38.712 38.487 -0.185 0.000 0.970 88 N HN 0.121 nan 8.380 nan 0.000 0.467 89 R N 0.734 121.328 120.500 0.156 0.000 2.404 89 R HA 0.496 4.839 4.340 0.004 0.000 0.291 89 R C 0.126 176.480 176.300 0.089 0.000 1.025 89 R CA -0.434 55.690 56.100 0.041 0.000 0.991 89 R CB 1.404 31.690 30.300 -0.024 0.000 1.053 89 R HN 0.131 nan 8.270 nan 0.000 0.479 90 I N -1.550 118.914 120.570 -0.176 0.000 3.002 90 I HA 0.521 4.693 4.170 0.004 0.000 0.310 90 I C -1.358 174.419 176.117 -0.567 0.000 1.087 90 I CA -1.289 59.862 61.300 -0.249 0.000 1.017 90 I CB 1.998 39.862 38.000 -0.227 0.000 1.226 90 I HN 0.425 nan 8.210 nan 0.000 0.443 91 Y N 2.965 123.270 120.300 0.008 0.000 2.332 91 Y HA 0.576 5.128 4.550 0.003 0.000 0.326 91 Y C -0.570 175.333 175.900 0.005 0.000 0.978 91 Y CA -0.905 57.204 58.100 0.016 0.000 1.205 91 Y CB 2.118 40.574 38.460 -0.008 0.000 1.131 91 Y HN 0.277 nan 8.280 nan 0.000 0.462 92 V N 5.239 125.230 119.914 0.127 0.000 2.333 92 V HA 0.234 4.357 4.120 0.004 0.000 0.274 92 V C -0.041 176.066 176.094 0.021 0.000 1.028 92 V CA -0.705 61.642 62.300 0.080 0.000 0.851 92 V CB 1.096 33.003 31.823 0.141 0.000 1.000 92 V HN 0.709 nan 8.190 nan 0.000 0.456 93 M N 4.929 124.513 119.600 -0.027 0.000 2.201 93 M HA 0.331 4.814 4.480 0.004 0.000 0.345 93 M C -0.373 175.842 176.300 -0.140 0.000 1.352 93 M CA -0.099 55.146 55.300 -0.092 0.000 1.218 93 M CB 0.104 32.646 32.600 -0.097 0.000 1.512 93 M HN 0.566 nan 8.290 nan 0.000 0.447 94 D N 2.370 122.649 120.400 -0.202 0.000 2.380 94 D HA 0.177 4.819 4.640 0.004 0.000 0.230 94 D C 0.835 177.041 176.300 -0.157 0.000 1.154 94 D CA 0.153 54.040 54.000 -0.189 0.000 0.859 94 D CB 1.059 41.678 40.800 -0.301 0.000 1.045 94 D HN 0.754 nan 8.370 nan 0.000 0.495 95 S N 2.193 117.817 115.700 -0.126 0.000 2.423 95 S HA -0.127 4.345 4.470 0.004 0.000 0.231 95 S C 1.126 175.694 174.600 -0.054 0.000 1.014 95 S CA 0.455 58.592 58.200 -0.105 0.000 0.965 95 S CB -0.426 62.730 63.200 -0.073 0.000 0.785 95 S HN 0.512 nan 8.310 nan 0.000 0.495 96 V N 1.713 121.617 119.914 -0.017 0.000 5.830 96 V HA -0.234 3.888 4.120 0.004 0.000 0.274 96 V C 0.791 176.905 176.094 0.033 0.000 0.632 96 V CA 0.969 63.286 62.300 0.028 0.000 0.594 96 V CB -2.979 28.867 31.823 0.038 0.000 0.249 96 V HN 0.610 nan 8.190 nan 0.000 0.697 97 F N 0.662 120.549 119.950 -0.104 0.000 2.202 97 F HA -0.199 4.330 4.527 0.004 0.000 0.301 97 F C 2.093 177.816 175.800 -0.129 0.000 1.082 97 F CA 2.444 60.373 58.000 -0.117 0.000 1.313 97 F CB 0.063 38.993 39.000 -0.116 0.000 1.024 97 F HN 0.342 nan 8.300 nan 0.000 0.495 98 M N -1.028 118.522 119.600 -0.084 0.000 2.358 98 M HA -0.150 4.332 4.480 0.004 0.000 0.264 98 M C 0.124 175.970 176.300 -0.757 0.000 1.064 98 M CA 1.532 56.618 55.300 -0.356 0.000 1.093 98 M CB -0.902 31.528 32.600 -0.283 0.000 1.401 98 M HN 0.127 nan 8.290 nan 0.000 0.440 99 H N -0.566 118.461 119.070 -0.071 0.000 2.514 99 H HA 0.180 4.740 4.556 0.007 0.000 0.226 99 H C 0.605 175.897 175.328 -0.060 0.000 1.421 99 H CA -0.397 55.619 56.048 -0.053 0.000 1.394 99 H CB 0.272 30.024 29.762 -0.017 0.000 1.701 99 H HN 0.096 nan 8.280 nan 0.000 0.515 100 L N 2.010 123.187 121.223 -0.077 0.000 2.362 100 L HA -0.080 4.262 4.340 0.004 0.000 0.219 100 L C 2.222 179.079 176.870 -0.022 0.000 1.134 100 L CA 1.754 56.506 54.840 -0.146 0.000 0.807 100 L CB -0.293 41.550 42.059 -0.360 0.000 0.927 100 L HN 0.428 nan 8.230 nan 0.000 0.447 101 T N -4.190 110.466 114.554 0.169 0.000 3.113 101 T HA -0.087 4.265 4.350 0.004 0.000 0.263 101 T C 1.207 175.973 174.700 0.110 0.000 1.143 101 T CA 0.750 62.986 62.100 0.226 0.000 1.090 101 T CB -0.295 68.697 68.868 0.206 0.000 0.922 101 T HN 0.493 nan 8.240 nan 0.000 0.521 102 E N 1.938 122.181 120.200 0.070 0.000 3.167 102 E HA 0.223 4.575 4.350 0.004 0.000 0.210 102 E C -0.131 176.476 176.600 0.012 0.000 1.004 102 E CA -0.381 56.048 56.400 0.049 0.000 1.256 102 E CB 0.441 30.176 29.700 0.058 0.000 1.193 102 E HN 0.632 nan 8.360 nan 0.000 0.448 103 S N 1.232 116.910 115.700 -0.036 0.000 2.576 103 S HA 0.285 4.757 4.470 0.004 0.000 0.272 103 S C 0.219 174.766 174.600 -0.089 0.000 1.352 103 S CA -0.490 57.659 58.200 -0.085 0.000 1.021 103 S CB 1.161 64.277 63.200 -0.140 0.000 0.887 103 S HN 0.389 nan 8.310 nan 0.000 0.542 104 R N -0.366 120.048 120.500 -0.143 0.000 2.712 104 R HA 0.501 4.843 4.340 0.004 0.000 0.272 104 R C -2.236 173.927 176.300 -0.228 0.000 1.032 104 R CA -0.910 55.098 56.100 -0.155 0.000 0.874 104 R CB 0.461 30.713 30.300 -0.081 0.000 1.256 104 R HN 0.496 nan 8.270 nan 0.000 0.468 105 V N 2.378 122.194 119.914 -0.162 0.000 2.394 105 V HA 0.365 4.487 4.120 0.004 0.000 0.282 105 V C -0.326 175.766 176.094 -0.004 0.000 1.031 105 V CA -0.735 61.506 62.300 -0.098 0.000 0.881 105 V CB 0.989 32.795 31.823 -0.028 0.000 0.982 105 V HN 0.569 nan 8.190 nan 0.000 0.451 106 H N 3.170 122.279 119.070 0.064 0.000 2.517 106 H HA 0.510 5.068 4.556 0.003 0.000 0.317 106 H C -0.402 174.848 175.328 -0.129 0.000 1.080 106 H CA -0.654 55.404 56.048 0.018 0.000 1.301 106 H CB 1.799 31.743 29.762 0.302 0.000 1.425 106 H HN 0.402 nan 8.280 nan 0.000 0.471 107 V N 5.477 125.180 119.914 -0.353 0.000 2.370 107 V HA 0.232 4.354 4.120 0.004 0.000 0.279 107 V C -0.468 175.250 176.094 -0.627 0.000 1.029 107 V CA -0.586 61.432 62.300 -0.469 0.000 0.870 107 V CB 0.197 31.771 31.823 -0.415 0.000 0.984 107 V HN 0.605 nan 8.190 nan 0.000 0.451 108 Y N 1.412 121.504 120.300 -0.346 0.000 2.562 108 Y HA 0.446 4.999 4.550 0.005 0.000 0.343 108 Y C 0.149 175.947 175.900 -0.171 0.000 1.025 108 Y CA -0.895 57.079 58.100 -0.210 0.000 1.082 108 Y CB 1.819 40.221 38.460 -0.097 0.000 1.264 108 Y HN 0.554 nan 8.280 nan 0.000 0.478 109 D N 1.505 121.941 120.400 0.059 0.000 2.347 109 D HA 0.007 4.650 4.640 0.004 0.000 0.235 109 D C 0.356 176.669 176.300 0.021 0.000 1.149 109 D CA -0.235 53.754 54.000 -0.018 0.000 0.850 109 D CB 0.605 41.364 40.800 -0.068 0.000 1.061 109 D HN 0.615 nan 8.370 nan 0.000 0.487 110 Y N 1.916 122.234 120.300 0.031 0.000 2.497 110 Y HA -0.090 4.462 4.550 0.004 0.000 0.292 110 Y C 1.971 177.890 175.900 0.032 0.000 1.137 110 Y CA 1.322 59.434 58.100 0.019 0.000 1.285 110 Y CB -0.800 37.678 38.460 0.031 0.000 0.991 110 Y HN 0.293 nan 8.280 nan 0.000 0.556 111 T N -1.435 112.849 114.554 -0.449 0.000 2.985 111 T HA -0.093 4.259 4.350 0.004 0.000 0.266 111 T C 1.068 175.713 174.700 -0.091 0.000 1.076 111 T CA 1.172 63.100 62.100 -0.286 0.000 1.135 111 T CB -0.469 68.181 68.868 -0.364 0.000 0.890 111 T HN 0.629 nan 8.240 nan 0.000 0.480 112 N N -0.341 118.320 118.700 -0.063 0.000 2.082 112 N HA 0.250 4.992 4.740 0.004 0.000 0.228 112 N C 1.320 176.843 175.510 0.022 0.000 1.341 112 N CA 0.360 53.399 53.050 -0.019 0.000 0.873 112 N CB -0.000 38.469 38.487 -0.029 0.000 1.137 112 N HN 0.531 nan 8.380 nan 0.000 0.505 113 G N 0.808 109.640 108.800 0.053 0.000 2.162 113 G HA2 -0.370 3.592 3.960 0.004 0.000 0.260 113 G HA3 -0.370 3.592 3.960 0.004 0.000 0.260 113 G C -0.148 174.903 174.900 0.252 0.000 0.976 113 G CA 0.524 45.691 45.100 0.113 0.000 0.655 113 G HN 0.668 nan 8.290 nan 0.000 0.533 114 K N 0.002 120.503 120.400 0.167 0.000 2.368 114 K HA 0.436 4.758 4.320 0.004 0.000 0.282 114 K C -0.040 176.618 176.600 0.096 0.000 1.035 114 K CA -0.846 55.521 56.287 0.132 0.000 0.973 114 K CB 0.099 32.620 32.500 0.034 0.000 0.957 114 K HN 0.074 nan 8.250 nan 0.000 0.474 115 F N 5.966 125.801 119.950 -0.192 0.000 2.506 115 F HA 0.081 4.610 4.527 0.003 0.000 0.371 115 F C 0.446 176.042 175.800 -0.340 0.000 1.078 115 F CA 0.036 57.684 58.000 -0.586 0.000 1.195 115 F CB 0.427 39.121 39.000 -0.509 0.000 1.099 115 F HN 0.535 nan 8.300 nan 0.000 0.548 116 L N 5.029 125.794 121.223 -0.763 0.000 2.515 116 L HA 0.461 4.803 4.340 0.004 0.000 0.223 116 L C 1.070 177.658 176.870 -0.471 0.000 1.079 116 L CA 0.416 54.987 54.840 -0.448 0.000 0.857 116 L CB -0.326 41.529 42.059 -0.340 0.000 1.050 116 L HN 0.851 nan 8.230 nan 0.000 0.476 117 G N 0.409 108.658 108.800 -0.919 0.000 2.343 117 G HA2 0.399 4.361 3.960 0.004 0.000 0.289 117 G HA3 0.399 4.361 3.960 0.004 0.000 0.289 117 G C -1.689 172.914 174.900 -0.494 0.000 1.295 117 G CA -0.254 44.563 45.100 -0.471 0.000 0.869 117 G HN -0.036 nan 8.290 nan 0.000 0.522 118 M N -1.917 117.622 119.600 -0.101 0.000 2.603 118 M HA 0.820 5.302 4.480 0.004 0.000 0.275 118 M C -1.515 174.774 176.300 -0.018 0.000 1.226 118 M CA -0.981 54.329 55.300 0.016 0.000 0.870 118 M CB 1.819 34.580 32.600 0.268 0.000 1.716 118 M HN 0.848 nan 8.290 nan 0.000 0.482 119 V N 2.179 122.023 119.914 -0.117 0.000 2.443 119 V HA 0.685 4.807 4.120 0.004 0.000 0.293 119 V C -2.363 173.551 176.094 -0.299 0.000 1.021 119 V CA -1.230 60.827 62.300 -0.404 0.000 0.848 119 V CB 1.906 33.310 31.823 -0.699 0.000 0.998 119 V HN 0.814 nan 8.190 nan 0.000 0.424 120 P HA 0.201 nan 4.420 nan 0.000 0.276 120 P C 0.234 177.497 177.300 -0.062 0.000 1.230 120 P CA 0.061 63.135 63.100 -0.044 0.000 0.776 120 P CB 1.069 32.827 31.700 0.097 0.000 0.888 121 T N -0.594 113.927 114.554 -0.055 0.000 3.288 121 T HA 0.529 4.881 4.350 0.004 0.000 0.293 121 T C 0.774 175.423 174.700 -0.085 0.000 1.008 121 T CA 0.261 62.322 62.100 -0.065 0.000 0.929 121 T CB -0.382 68.422 68.868 -0.107 0.000 1.152 121 T HN 0.597 nan 8.240 nan 0.000 0.517 122 A N 1.945 124.739 122.820 -0.043 0.000 5.483 122 A HA -0.189 4.133 4.320 0.004 0.000 0.309 122 A C -0.004 177.571 177.584 -0.015 0.000 1.898 122 A CA 0.858 52.862 52.037 -0.056 0.000 0.716 122 A CB -1.758 17.054 19.000 -0.314 0.000 1.309 122 A HN 1.077 nan 8.150 nan 0.000 0.380 123 F N 2.400 122.254 119.950 -0.160 0.000 2.444 123 F HA 0.484 5.013 4.527 0.002 0.000 0.360 123 F C 0.963 176.727 175.800 -0.059 0.000 1.106 123 F CA 0.572 58.522 58.000 -0.082 0.000 1.170 123 F CB -0.140 38.831 39.000 -0.049 0.000 1.113 123 F HN 1.000 nan 8.300 nan 0.000 0.521 124 N N 3.666 121.988 118.700 -0.630 0.000 2.671 124 N HA -0.181 4.561 4.740 0.004 0.000 0.261 124 N C -0.239 175.178 175.510 -0.155 0.000 1.053 124 N CA 0.764 53.520 53.050 -0.491 0.000 0.732 124 N CB -0.913 37.140 38.487 -0.722 0.000 0.887 124 N HN 0.979 nan 8.380 nan 0.000 0.546 125 G N 0.662 109.378 108.800 -0.139 0.000 2.569 125 G HA2 0.347 4.309 3.960 0.004 0.000 0.249 125 G HA3 0.347 4.309 3.960 0.004 0.000 0.249 125 G C -0.491 174.377 174.900 -0.053 0.000 1.216 125 G CA -0.344 44.714 45.100 -0.071 0.000 0.845 125 G HN 0.595 nan 8.290 nan 0.000 0.568 126 H N -1.198 117.747 119.070 -0.208 0.000 2.731 126 H HA 0.641 5.199 4.556 0.004 0.000 0.368 126 H C -0.977 174.309 175.328 -0.069 0.000 1.168 126 H CA -0.649 55.306 56.048 -0.154 0.000 1.181 126 H CB 2.632 32.242 29.762 -0.254 0.000 1.743 126 H HN 0.410 nan 8.280 nan 0.000 0.547 127 V N 1.754 121.822 119.914 0.257 0.000 3.012 127 V HA 0.332 4.454 4.120 0.004 0.000 0.307 127 V C -1.636 174.651 176.094 0.322 0.000 1.166 127 V CA -0.413 62.058 62.300 0.285 0.000 0.974 127 V CB 2.460 34.320 31.823 0.060 0.000 1.040 127 V HN 0.997 nan 8.190 nan 0.000 0.428 128 Q N 3.509 123.430 119.800 0.202 0.000 2.482 128 Q HA 0.774 5.116 4.340 0.004 0.000 0.286 128 Q C -2.178 173.684 176.000 -0.230 0.000 1.007 128 Q CA -0.918 54.862 55.803 -0.038 0.000 0.801 128 Q CB 2.363 31.035 28.738 -0.110 0.000 1.455 128 Q HN 0.486 nan 8.270 nan 0.000 0.398 129 V N 1.744 121.444 119.914 -0.356 0.000 2.532 129 V HA 0.414 4.537 4.120 0.004 0.000 0.295 129 V C 0.226 176.024 176.094 -0.493 0.000 1.041 129 V CA -0.413 61.561 62.300 -0.543 0.000 0.926 129 V CB 1.590 33.006 31.823 -0.679 0.000 0.992 129 V HN 0.924 nan 8.190 nan 0.000 0.457 130 S N 3.234 118.523 115.700 -0.685 0.000 2.563 130 S HA 0.042 4.514 4.470 0.004 0.000 0.284 130 S C 0.967 175.437 174.600 -0.217 0.000 1.331 130 S CA -0.282 57.626 58.200 -0.486 0.000 1.047 130 S CB 0.246 63.154 63.200 -0.487 0.000 0.859 130 S HN 0.692 nan 8.310 nan 0.000 0.514 131 N N 2.168 120.814 118.700 -0.089 0.000 2.205 131 N HA -0.129 4.614 4.740 0.004 0.000 0.186 131 N C 1.058 176.550 175.510 -0.031 0.000 1.015 131 N CA 1.598 54.620 53.050 -0.047 0.000 0.862 131 N CB -0.574 37.908 38.487 -0.007 0.000 0.986 131 N HN 0.942 nan 8.380 nan 0.000 0.429 132 D N -1.172 119.210 120.400 -0.030 0.000 2.349 132 D HA 0.095 4.737 4.640 0.004 0.000 0.224 132 D C 1.231 177.540 176.300 0.016 0.000 1.029 132 D CA 0.670 54.669 54.000 -0.002 0.000 0.879 132 D CB -0.476 40.325 40.800 0.002 0.000 0.906 132 D HN 0.210 nan 8.370 nan 0.000 0.528 133 G N 0.565 109.353 108.800 -0.020 0.000 2.184 133 G HA2 -0.409 3.553 3.960 0.004 0.000 0.264 133 G HA3 -0.409 3.553 3.960 0.004 0.000 0.264 133 G C 1.095 176.072 174.900 0.127 0.000 0.975 133 G CA 0.638 45.783 45.100 0.074 0.000 0.642 133 G HN 0.488 nan 8.290 nan 0.000 0.536 134 K N -0.686 119.722 120.400 0.013 0.000 2.314 134 K HA 0.155 4.477 4.320 0.004 0.000 0.198 134 K C 0.822 177.418 176.600 -0.007 0.000 1.045 134 K CA 0.642 56.947 56.287 0.030 0.000 0.988 134 K CB 0.155 32.666 32.500 0.017 0.000 0.783 134 K HN 0.172 nan 8.250 nan 0.000 0.484 135 K N 0.744 121.065 120.400 -0.131 0.000 2.435 135 K HA 0.435 4.757 4.320 0.004 0.000 0.251 135 K C -0.664 175.717 176.600 -0.364 0.000 0.954 135 K CA -0.589 55.596 56.287 -0.169 0.000 0.820 135 K CB 2.227 34.644 32.500 -0.138 0.000 1.292 135 K HN -0.097 nan 8.250 nan 0.000 0.436 136 I N 2.048 122.506 120.570 -0.188 0.000 2.377 136 I HA 0.331 4.504 4.170 0.004 0.000 0.293 136 I C -0.630 175.484 176.117 -0.006 0.000 0.987 136 I CA -0.874 60.286 61.300 -0.234 0.000 1.185 136 I CB 0.868 38.797 38.000 -0.120 0.000 1.341 136 I HN 0.374 nan 8.210 nan 0.000 0.455 137 Y N 3.719 124.070 120.300 0.085 0.000 2.341 137 Y HA 0.471 5.023 4.550 0.003 0.000 0.337 137 Y C 0.655 176.769 175.900 0.357 0.000 1.014 137 Y CA -0.977 57.266 58.100 0.237 0.000 1.111 137 Y CB 1.943 40.505 38.460 0.170 0.000 1.194 137 Y HN 0.495 nan 8.280 nan 0.000 0.462 138 T N 1.212 116.066 114.554 0.501 0.000 2.932 138 T HA 0.680 5.032 4.350 0.004 0.000 0.289 138 T C -0.750 174.004 174.700 0.090 0.000 1.039 138 T CA -1.008 61.245 62.100 0.255 0.000 1.024 138 T CB 2.181 71.109 68.868 0.098 0.000 1.090 138 T HN 0.708 nan 8.240 nan 0.000 0.496 139 M N 2.131 121.556 119.600 -0.291 0.000 2.327 139 M HA 0.611 5.094 4.480 0.004 0.000 0.298 139 M C -1.150 175.021 176.300 -0.213 0.000 1.065 139 M CA -0.144 54.918 55.300 -0.396 0.000 0.916 139 M CB 1.981 33.951 32.600 -1.051 0.000 1.630 139 M HN 1.035 nan 8.290 nan 0.000 0.442 140 T N 1.564 116.045 114.554 -0.122 0.000 2.711 140 T HA 0.617 4.969 4.350 0.004 0.000 0.302 140 T C -1.549 173.069 174.700 -0.137 0.000 1.373 140 T CA -0.319 61.699 62.100 -0.136 0.000 1.000 140 T CB 2.183 70.928 68.868 -0.206 0.000 1.483 140 T HN 0.696 nan 8.240 nan 0.000 0.499 141 T N 2.036 116.493 114.554 -0.161 0.000 2.848 141 T HA 0.695 5.047 4.350 0.004 0.000 0.285 141 T C -1.597 172.928 174.700 -0.293 0.000 0.995 141 T CA -0.235 61.785 62.100 -0.134 0.000 0.970 141 T CB 0.600 69.486 68.868 0.030 0.000 0.976 141 T HN 0.438 nan 8.240 nan 0.000 0.441 142 Y N 1.455 121.707 120.300 -0.079 0.000 2.549 142 Y HA 0.544 5.095 4.550 0.003 0.000 0.339 142 Y C 0.845 176.590 175.900 -0.259 0.000 1.053 142 Y CA -1.003 57.058 58.100 -0.066 0.000 1.105 142 Y CB 1.533 39.969 38.460 -0.040 0.000 1.258 142 Y HN 0.572 nan 8.280 nan 0.000 0.478 143 H N 0.326 119.480 119.070 0.140 0.000 2.747 143 H HA 0.204 4.761 4.556 0.003 0.000 0.371 143 H C 0.048 175.410 175.328 0.058 0.000 1.161 143 H CA -0.617 55.468 56.048 0.060 0.000 1.167 143 H CB 2.169 31.926 29.762 -0.010 0.000 1.732 143 H HN 0.808 nan 8.280 nan 0.000 0.544 144 E N 0.796 121.081 120.200 0.142 0.000 2.130 144 E HA -0.158 4.194 4.350 0.004 0.000 0.196 144 E C 0.518 177.158 176.600 0.066 0.000 0.998 144 E CA 1.095 57.538 56.400 0.071 0.000 0.806 144 E CB 0.319 30.045 29.700 0.044 0.000 0.738 144 E HN 0.220 nan 8.360 nan 0.000 0.459 145 R N -0.410 120.135 120.500 0.074 0.000 2.690 145 R HA 0.270 4.612 4.340 0.004 0.000 0.419 145 R C 0.725 177.046 176.300 0.035 0.000 1.090 145 R CA -0.130 55.995 56.100 0.042 0.000 1.064 145 R CB 0.105 30.414 30.300 0.016 0.000 1.391 145 R HN 0.210 nan 8.270 nan 0.000 0.586 146 I N -0.708 119.911 120.570 0.083 0.000 4.701 146 I HA -0.476 3.696 4.170 0.004 0.000 0.046 146 I C 1.357 177.419 176.117 -0.092 0.000 0.626 146 I CA 2.531 63.865 61.300 0.056 0.000 0.723 146 I CB -1.425 36.600 38.000 0.042 0.000 0.675 146 I HN 0.252 nan 8.210 nan 0.000 0.157 147 T N 0.240 114.723 114.554 -0.118 0.000 3.086 147 T HA 0.366 4.718 4.350 0.004 0.000 0.250 147 T C 0.352 174.927 174.700 -0.207 0.000 1.074 147 T CA 0.265 62.245 62.100 -0.199 0.000 0.988 147 T CB -0.068 68.727 68.868 -0.122 0.000 0.988 147 T HN 0.749 nan 8.240 nan 0.000 0.530 148 R N -0.762 119.647 120.500 -0.151 0.000 2.752 148 R HA 0.672 5.014 4.340 0.004 0.000 0.271 148 R C -0.102 176.183 176.300 -0.025 0.000 1.026 148 R CA -0.603 55.434 56.100 -0.106 0.000 0.901 148 R CB 0.527 30.792 30.300 -0.060 0.000 1.243 148 R HN 0.353 nan 8.270 nan 0.000 0.463 149 G N 0.977 109.783 108.800 0.011 0.000 0.000 149 G HA2 -0.182 3.780 3.960 0.004 0.000 0.000 149 G HA3 -0.182 3.780 3.960 0.004 0.000 0.000 149 G C -1.260 173.722 174.900 0.136 0.000 0.000 149 G CA -0.238 44.898 45.100 0.060 0.000 0.000 149 G HN 0.799 nan 8.290 nan 0.000 0.000 150 K N 0.119 120.576 120.400 0.095 0.000 2.401 150 K HA 0.350 4.672 4.320 0.004 0.000 0.278 150 K C 0.942 177.575 176.600 0.056 0.000 1.018 150 K CA -0.252 56.081 56.287 0.076 0.000 0.981 150 K CB 0.381 32.897 32.500 0.027 0.000 0.933 150 K HN 0.685 nan 8.250 nan 0.000 0.477 151 R N 2.030 122.520 120.500 -0.016 0.000 2.390 151 R HA 0.124 4.467 4.340 0.004 0.000 0.291 151 R C -1.122 175.073 176.300 -0.175 0.000 1.070 151 R CA -0.109 55.792 56.100 -0.332 0.000 1.014 151 R CB 0.835 30.982 30.300 -0.255 0.000 1.007 151 R HN 0.529 nan 8.270 nan 0.000 0.466 152 S N 3.371 118.970 115.700 -0.168 0.000 2.756 152 S HA 0.203 4.675 4.470 0.004 0.000 0.303 152 S C -1.588 173.014 174.600 0.003 0.000 1.135 152 S CA -0.916 57.264 58.200 -0.034 0.000 1.066 152 S CB 1.382 64.602 63.200 0.034 0.000 1.008 152 S HN 0.574 nan 8.310 nan 0.000 0.482 153 D N 2.612 122.995 120.400 -0.027 0.000 2.256 153 D HA 0.535 5.177 4.640 0.004 0.000 0.250 153 D C 0.057 176.375 176.300 0.031 0.000 1.093 153 D CA -0.134 53.858 54.000 -0.013 0.000 0.882 153 D CB 1.549 42.321 40.800 -0.048 0.000 1.185 153 D HN 0.382 nan 8.370 nan 0.000 0.437 154 V N -0.829 119.127 119.914 0.070 0.000 3.114 154 V HA 0.679 4.801 4.120 0.004 0.000 0.308 154 V C -0.733 175.431 176.094 0.116 0.000 1.168 154 V CA -0.898 61.478 62.300 0.126 0.000 1.015 154 V CB 1.917 33.880 31.823 0.234 0.000 1.050 154 V HN 0.192 nan 8.190 nan 0.000 0.433 155 V N 2.089 122.098 119.914 0.159 0.000 2.483 155 V HA 0.567 4.689 4.120 0.004 0.000 0.295 155 V C -0.057 176.209 176.094 0.285 0.000 1.035 155 V CA -0.282 62.144 62.300 0.210 0.000 0.896 155 V CB 1.523 33.477 31.823 0.219 0.000 0.986 155 V HN 1.048 nan 8.190 nan 0.000 0.447 156 E N 2.770 123.208 120.200 0.396 0.000 2.212 156 E HA 0.584 4.936 4.350 0.004 0.000 0.268 156 E C -1.449 175.471 176.600 0.533 0.000 0.902 156 E CA -0.722 55.988 56.400 0.518 0.000 0.779 156 E CB 2.640 32.834 29.700 0.823 0.000 1.172 156 E HN 0.404 nan 8.360 nan 0.000 0.409 157 V N 2.748 122.849 119.914 0.311 0.000 2.394 157 V HA 0.323 4.445 4.120 0.004 0.000 0.282 157 V C -0.978 175.192 176.094 0.126 0.000 1.031 157 V CA -0.681 61.811 62.300 0.319 0.000 0.881 157 V CB 0.320 32.243 31.823 0.166 0.000 0.982 157 V HN 0.597 nan 8.190 nan 0.000 0.451 158 W N 1.784 123.130 121.300 0.076 0.000 2.761 158 W HA 0.475 5.136 4.660 0.000 0.000 0.340 158 W C -0.079 176.446 176.519 0.010 0.000 1.072 158 W CA -0.914 56.460 57.345 0.048 0.000 1.215 158 W CB 1.177 30.702 29.460 0.108 0.000 1.420 158 W HN 0.562 nan 8.180 nan 0.000 0.519 159 D N 1.108 121.617 120.400 0.180 0.000 2.425 159 D HA 0.315 4.957 4.640 0.004 0.000 0.247 159 D C 1.084 177.493 176.300 0.181 0.000 1.147 159 D CA 0.487 54.565 54.000 0.130 0.000 0.879 159 D CB 1.528 42.375 40.800 0.079 0.000 1.179 159 D HN 0.430 nan 8.370 nan 0.000 0.456 160 A N 3.624 126.526 122.820 0.138 0.000 1.969 160 A HA -0.132 4.191 4.320 0.004 0.000 0.218 160 A C 1.610 179.310 177.584 0.192 0.000 1.169 160 A CA 1.176 53.322 52.037 0.182 0.000 0.635 160 A CB -0.100 19.033 19.000 0.222 0.000 0.810 160 A HN 0.644 nan 8.150 nan 0.000 0.445 161 D N -0.817 119.666 120.400 0.138 0.000 2.277 161 D HA 0.015 4.658 4.640 0.004 0.000 0.209 161 D C 1.614 177.976 176.300 0.103 0.000 0.970 161 D CA 0.727 54.789 54.000 0.103 0.000 0.874 161 D CB -0.025 40.816 40.800 0.068 0.000 0.982 161 D HN 0.156 nan 8.370 nan 0.000 0.504 162 K N 0.412 120.880 120.400 0.113 0.000 2.379 162 K HA 0.185 4.507 4.320 0.004 0.000 0.194 162 K C 0.648 177.350 176.600 0.170 0.000 1.031 162 K CA -0.148 56.208 56.287 0.115 0.000 1.037 162 K CB 0.585 33.135 32.500 0.083 0.000 0.824 162 K HN 0.157 nan 8.250 nan 0.000 0.516 163 L N 2.436 123.795 121.223 0.226 0.000 3.660 163 L HA -0.220 4.122 4.340 0.004 0.000 0.440 163 L C -0.262 176.926 176.870 0.531 0.000 1.262 163 L CA 0.739 55.788 54.840 0.348 0.000 0.837 163 L CB -2.277 39.919 42.059 0.230 0.000 1.689 163 L HN 0.219 nan 8.230 nan 0.000 0.890 164 T N -3.207 111.589 114.554 0.403 0.000 2.912 164 T HA 0.592 4.945 4.350 0.004 0.000 0.288 164 T C -0.464 174.065 174.700 -0.286 0.000 1.030 164 T CA -0.790 61.399 62.100 0.148 0.000 1.020 164 T CB 2.343 71.236 68.868 0.043 0.000 1.056 164 T HN 0.144 nan 8.240 nan 0.000 0.480 165 F N 1.525 120.847 119.950 -1.046 0.000 2.495 165 F HA 0.358 4.887 4.527 0.004 0.000 0.365 165 F C 1.008 176.462 175.800 -0.577 0.000 1.090 165 F CA -0.268 56.903 58.000 -1.381 0.000 1.235 165 F CB 0.716 39.013 39.000 -1.173 0.000 1.119 165 F HN 0.831 nan 8.300 nan 0.000 0.562 166 E N 3.031 122.432 120.200 -1.333 0.000 2.288 166 E HA 0.139 4.491 4.350 0.004 0.000 0.200 166 E C -0.405 175.516 176.600 -1.131 0.000 0.880 166 E CA -0.109 55.733 56.400 -0.929 0.000 0.971 166 E CB 0.575 30.011 29.700 -0.439 0.000 0.954 166 E HN 0.469 nan 8.360 nan 0.000 0.489 167 K N 1.015 120.698 120.400 -1.196 0.000 2.523 167 K HA 0.204 4.526 4.320 0.004 0.000 0.257 167 K C -1.829 174.664 176.600 -0.178 0.000 0.932 167 K CA -0.403 55.555 56.287 -0.549 0.000 0.812 167 K CB 2.406 34.767 32.500 -0.232 0.000 1.326 167 K HN -0.103 nan 8.250 nan 0.000 0.433 168 E N 4.597 124.903 120.200 0.176 0.000 2.166 168 E HA 0.360 4.713 4.350 0.004 0.000 0.275 168 E C -1.141 175.551 176.600 0.152 0.000 0.941 168 E CA -0.658 55.916 56.400 0.290 0.000 0.784 168 E CB 1.010 30.909 29.700 0.332 0.000 1.115 168 E HN 0.454 nan 8.360 nan 0.000 0.399 169 I N 3.448 124.107 120.570 0.148 0.000 2.382 169 I HA 0.179 4.352 4.170 0.004 0.000 0.286 169 I C -0.273 175.910 176.117 0.110 0.000 1.002 169 I CA -0.677 60.690 61.300 0.111 0.000 1.135 169 I CB 1.922 39.983 38.000 0.101 0.000 1.288 169 I HN 0.418 nan 8.210 nan 0.000 0.448 170 S N 7.117 122.865 115.700 0.080 0.000 2.531 170 S HA 0.461 4.933 4.470 0.004 0.000 0.279 170 S C -0.081 174.517 174.600 -0.003 0.000 1.305 170 S CA -0.399 57.824 58.200 0.039 0.000 1.058 170 S CB 0.417 63.627 63.200 0.017 0.000 0.899 170 S HN 0.329 nan 8.310 nan 0.000 0.493 171 L N 4.040 125.222 121.223 -0.069 0.000 2.322 171 L HA 0.564 4.906 4.340 0.004 0.000 0.269 171 L C -2.093 174.596 176.870 -0.302 0.000 1.012 171 L CA -2.644 52.047 54.840 -0.248 0.000 0.815 171 L CB 0.908 42.887 42.059 -0.133 0.000 1.295 171 L HN 0.365 nan 8.230 nan 0.000 0.438 172 P HA 0.106 nan 4.420 nan 0.000 0.269 172 P C -2.515 174.687 177.300 -0.164 0.000 1.215 172 P CA -1.367 61.562 63.100 -0.286 0.000 0.780 172 P CB -0.148 31.358 31.700 -0.324 0.000 0.898 173 P HA 0.094 nan 4.420 nan 0.000 0.226 173 P C 0.045 177.329 177.300 -0.026 0.000 1.783 173 P CA 0.197 63.262 63.100 -0.058 0.000 0.980 173 P CB -0.566 31.108 31.700 -0.044 0.000 1.967 174 K N 0.124 120.508 120.400 -0.026 0.000 2.637 174 K HA 0.159 4.481 4.320 0.004 0.000 0.184 174 K C 0.249 176.864 176.600 0.025 0.000 1.200 174 K CA -0.727 55.569 56.287 0.014 0.000 1.122 174 K CB 0.039 32.553 32.500 0.022 0.000 0.926 174 K HN -0.037 nan 8.250 nan 0.000 0.535 175 R N 0.634 121.132 120.500 -0.003 0.000 2.679 175 R HA 0.181 4.523 4.340 0.004 0.000 0.268 175 R C 0.065 176.367 176.300 0.003 0.000 1.044 175 R CA -0.499 55.591 56.100 -0.016 0.000 1.105 175 R CB 0.392 30.655 30.300 -0.061 0.000 0.989 175 R HN 0.029 nan 8.270 nan 0.000 0.447 176 V N 3.124 123.025 119.914 -0.022 0.000 2.540 176 V HA -0.001 4.121 4.120 0.004 0.000 0.297 176 V C -0.383 175.727 176.094 0.027 0.000 1.024 176 V CA 0.532 62.864 62.300 0.054 0.000 1.105 176 V CB 0.276 32.119 31.823 0.033 0.000 0.938 176 V HN 0.844 nan 8.190 nan 0.000 0.482 177 Q N 5.471 125.363 119.800 0.153 0.000 2.372 177 Q HA 0.715 5.057 4.340 0.004 0.000 0.259 177 Q C 0.094 176.246 176.000 0.253 0.000 0.993 177 Q CA 0.104 56.027 55.803 0.201 0.000 0.854 177 Q CB 1.782 30.691 28.738 0.286 0.000 1.231 177 Q HN 1.072 nan 8.270 nan 0.000 0.462 178 G N 1.320 110.296 108.800 0.294 0.000 2.349 178 G HA2 0.262 4.225 3.960 0.004 0.000 0.294 178 G HA3 0.262 4.225 3.960 0.004 0.000 0.294 178 G C -1.239 173.853 174.900 0.320 0.000 1.380 178 G CA -1.061 44.232 45.100 0.322 0.000 0.811 178 G HN 0.424 nan 8.290 nan 0.000 0.519 179 L N 0.532 121.904 121.223 0.248 0.000 2.482 179 L HA 0.148 4.491 4.340 0.004 0.000 0.273 179 L C 0.581 177.496 176.870 0.075 0.000 1.228 179 L CA -0.485 54.389 54.840 0.057 0.000 0.827 179 L CB 0.312 42.330 42.059 -0.069 0.000 1.099 179 L HN 0.452 nan 8.230 nan 0.000 0.494 180 N N 1.677 120.262 118.700 -0.192 0.000 3.254 180 N HA 0.077 4.819 4.740 0.004 0.000 0.308 180 N C -0.751 174.730 175.510 -0.048 0.000 1.281 180 N CA 0.080 52.995 53.050 -0.224 0.000 1.212 180 N CB -0.172 38.107 38.487 -0.347 0.000 1.478 180 N HN 0.355 nan 8.380 nan 0.000 0.548 181 Y N 0.520 120.925 120.300 0.175 0.000 2.497 181 Y HA -0.045 4.507 4.550 0.004 0.000 0.334 181 Y C 1.758 177.767 175.900 0.181 0.000 1.199 181 Y CA -0.221 58.003 58.100 0.206 0.000 1.425 181 Y CB 0.752 39.371 38.460 0.264 0.000 1.291 181 Y HN 0.176 nan 8.280 nan 0.000 0.562 182 D N 2.416 122.997 120.400 0.302 0.000 2.133 182 D HA -0.159 4.484 4.640 0.004 0.000 0.195 182 D C 2.100 178.517 176.300 0.194 0.000 0.997 182 D CA 1.703 55.831 54.000 0.213 0.000 0.840 182 D CB -0.396 40.505 40.800 0.169 0.000 0.947 182 D HN 0.886 nan 8.370 nan 0.000 0.452 183 G N -0.184 108.730 108.800 0.190 0.000 2.776 183 G HA2 -0.051 3.911 3.960 0.004 0.000 0.209 183 G HA3 -0.051 3.911 3.960 0.004 0.000 0.209 183 G C 1.385 176.279 174.900 -0.011 0.000 1.145 183 G CA -0.053 45.093 45.100 0.077 0.000 0.791 183 G HN 0.267 nan 8.290 nan 0.000 0.530 184 L N -1.283 119.988 121.223 0.080 0.000 2.509 184 L HA 0.385 4.727 4.340 0.004 0.000 0.222 184 L C 0.091 177.022 176.870 0.101 0.000 1.123 184 L CA 0.095 54.926 54.840 -0.014 0.000 0.856 184 L CB 0.280 42.380 42.059 0.068 0.000 0.985 184 L HN 0.169 nan 8.230 nan 0.000 0.456 185 F N 1.055 120.994 119.950 -0.019 0.000 3.051 185 F HA 0.467 4.996 4.527 0.004 0.000 0.363 185 F C -0.460 175.345 175.800 0.008 0.000 1.257 185 F CA -0.784 57.210 58.000 -0.011 0.000 1.126 185 F CB 0.447 39.490 39.000 0.071 0.000 1.476 185 F HN -0.237 nan 8.300 nan 0.000 0.576 186 R N 2.893 123.236 120.500 -0.262 0.000 3.003 186 R HA 0.612 4.954 4.340 0.004 0.000 0.251 186 R C -1.123 175.003 176.300 -0.289 0.000 1.265 186 R CA -0.801 55.155 56.100 -0.240 0.000 1.026 186 R CB 2.041 32.252 30.300 -0.149 0.000 1.307 186 R HN 0.715 nan 8.270 nan 0.000 0.475 187 Q N -0.779 118.919 119.800 -0.170 0.000 2.511 187 Q HA 0.423 4.765 4.340 0.004 0.000 0.289 187 Q C -0.916 175.065 176.000 -0.032 0.000 1.021 187 Q CA -0.898 54.841 55.803 -0.107 0.000 0.785 187 Q CB 1.661 30.367 28.738 -0.054 0.000 1.472 187 Q HN 0.612 nan 8.270 nan 0.000 0.411 188 T N -1.206 113.373 114.554 0.041 0.000 2.860 188 T HA 0.103 4.455 4.350 0.004 0.000 0.299 188 T C 0.997 175.742 174.700 0.075 0.000 1.045 188 T CA 0.373 62.535 62.100 0.104 0.000 1.071 188 T CB 0.757 69.749 68.868 0.207 0.000 0.985 188 T HN 0.612 nan 8.240 nan 0.000 0.537 189 T N 1.499 116.102 114.554 0.080 0.000 2.759 189 T HA -0.143 4.209 4.350 0.004 0.000 0.269 189 T C 1.580 176.313 174.700 0.055 0.000 1.042 189 T CA 1.842 63.980 62.100 0.063 0.000 1.140 189 T CB -0.596 68.314 68.868 0.071 0.000 0.864 189 T HN 0.944 nan 8.240 nan 0.000 0.455 190 D N 0.433 120.873 120.400 0.068 0.000 2.363 190 D HA 0.139 4.781 4.640 0.004 0.000 0.226 190 D C 1.540 177.853 176.300 0.021 0.000 1.020 190 D CA 0.850 54.879 54.000 0.048 0.000 0.892 190 D CB -0.835 40.001 40.800 0.060 0.000 0.900 190 D HN 0.468 nan 8.370 nan 0.000 0.531 191 G N 0.578 109.393 108.800 0.026 0.000 2.184 191 G HA2 -0.395 3.567 3.960 0.004 0.000 0.264 191 G HA3 -0.395 3.567 3.960 0.004 0.000 0.264 191 G C 1.071 175.935 174.900 -0.061 0.000 0.975 191 G CA 0.565 45.670 45.100 0.009 0.000 0.642 191 G HN 0.478 nan 8.290 nan 0.000 0.536 192 K N -1.156 119.158 120.400 -0.143 0.000 2.361 192 K HA 0.328 4.650 4.320 0.004 0.000 0.196 192 K C 0.016 176.089 176.600 -0.878 0.000 1.039 192 K CA 0.477 56.483 56.287 -0.469 0.000 1.001 192 K CB 0.238 32.424 32.500 -0.524 0.000 0.795 192 K HN 0.395 nan 8.250 nan 0.000 0.495 193 F N 0.307 120.227 119.950 -0.050 0.000 2.556 193 F HA 0.400 4.929 4.527 0.004 0.000 0.314 193 F C -0.092 175.623 175.800 -0.142 0.000 1.106 193 F CA -1.109 56.836 58.000 -0.091 0.000 0.911 193 F CB 1.319 40.282 39.000 -0.063 0.000 1.190 193 F HN -0.287 nan 8.300 nan 0.000 0.448 194 I N 3.334 123.880 120.570 -0.040 0.000 2.396 194 I HA 0.433 4.605 4.170 0.004 0.000 0.292 194 I C -0.793 175.255 176.117 -0.116 0.000 0.999 194 I CA -0.725 60.477 61.300 -0.162 0.000 1.310 194 I CB 1.296 39.136 38.000 -0.266 0.000 1.404 194 I HN 0.222 nan 8.210 nan 0.000 0.496 195 V N 7.268 127.058 119.914 -0.207 0.000 2.443 195 V HA 0.466 4.588 4.120 0.004 0.000 0.293 195 V C -0.444 175.523 176.094 -0.212 0.000 1.021 195 V CA -0.605 61.517 62.300 -0.297 0.000 0.848 195 V CB 1.412 32.878 31.823 -0.596 0.000 0.998 195 V HN 0.531 nan 8.190 nan 0.000 0.424 196 L N 2.299 123.460 121.223 -0.104 0.000 2.371 196 L HA 0.897 5.240 4.340 0.004 0.000 0.262 196 L C -0.626 176.202 176.870 -0.070 0.000 1.006 196 L CA -0.954 53.899 54.840 0.022 0.000 0.818 196 L CB 1.875 44.065 42.059 0.218 0.000 1.354 196 L HN 0.471 nan 8.230 nan 0.000 0.415 197 Q N 1.791 121.509 119.800 -0.137 0.000 2.267 197 Q HA 0.477 4.819 4.340 0.004 0.000 0.255 197 Q C -1.170 174.763 176.000 -0.111 0.000 0.923 197 Q CA 0.255 55.920 55.803 -0.230 0.000 0.925 197 Q CB 0.918 29.325 28.738 -0.552 0.000 1.195 197 Q HN 0.747 nan 8.270 nan 0.000 0.417 198 N N 1.647 120.336 118.700 -0.017 0.000 2.384 198 N HA 0.808 5.550 4.740 0.004 0.000 0.301 198 N C -1.617 173.989 175.510 0.159 0.000 1.133 198 N CA -0.400 52.690 53.050 0.068 0.000 0.853 198 N CB 1.998 40.541 38.487 0.093 0.000 1.241 198 N HN 0.623 nan 8.380 nan 0.000 0.502 199 A N -0.099 122.826 122.820 0.176 0.000 2.456 199 A HA 0.442 4.764 4.320 0.004 0.000 0.288 199 A C 0.120 177.784 177.584 0.133 0.000 1.042 199 A CA -0.557 51.610 52.037 0.217 0.000 0.738 199 A CB 0.545 19.740 19.000 0.324 0.000 1.266 199 A HN 0.614 nan 8.150 nan 0.000 0.407 200 S N 1.624 117.386 115.700 0.103 0.000 2.578 200 S HA 0.222 4.694 4.470 0.004 0.000 0.228 200 S C -0.673 173.960 174.600 0.056 0.000 1.022 200 S CA 0.493 58.736 58.200 0.071 0.000 0.967 200 S CB -0.306 62.928 63.200 0.057 0.000 0.914 200 S HN 0.607 nan 8.310 nan 0.000 0.515 201 P HA 0.497 nan 4.420 nan 0.000 0.267 201 P C 0.278 177.621 177.300 0.072 0.000 1.289 201 P CA -0.037 63.100 63.100 0.063 0.000 0.866 201 P CB 0.077 31.797 31.700 0.033 0.000 1.309 202 A N 1.534 124.394 122.820 0.065 0.000 2.565 202 A HA 0.334 4.656 4.320 0.004 0.000 0.237 202 A C 0.760 178.414 177.584 0.115 0.000 1.053 202 A CA 0.408 52.489 52.037 0.073 0.000 0.755 202 A CB -0.312 18.722 19.000 0.058 0.000 0.980 202 A HN 0.389 nan 8.150 nan 0.000 0.506 203 T N 0.329 114.968 114.554 0.142 0.000 2.875 203 T HA 0.691 5.044 4.350 0.004 0.000 0.284 203 T C 0.006 174.793 174.700 0.146 0.000 0.995 203 T CA 0.116 62.340 62.100 0.205 0.000 1.060 203 T CB 1.039 70.109 68.868 0.337 0.000 0.967 203 T HN 1.760 nan 8.240 nan 0.000 0.476 204 S N 1.849 117.628 115.700 0.132 0.000 2.625 204 S HA 0.683 5.155 4.470 0.004 0.000 0.271 204 S C -1.172 173.474 174.600 0.077 0.000 1.161 204 S CA -1.154 57.107 58.200 0.102 0.000 0.820 204 S CB 0.890 64.151 63.200 0.101 0.000 1.137 204 S HN 0.791 nan 8.310 nan 0.000 0.470 205 I N 1.389 122.000 120.570 0.068 0.000 2.354 205 I HA 0.574 4.746 4.170 0.004 0.000 0.292 205 I C 0.735 176.867 176.117 0.025 0.000 0.989 205 I CA -0.586 60.727 61.300 0.021 0.000 1.188 205 I CB 1.685 39.703 38.000 0.030 0.000 1.342 205 I HN 0.928 nan 8.210 nan 0.000 0.457 206 G N 7.038 115.856 108.800 0.031 0.000 2.367 206 G HA2 0.633 4.595 3.960 0.004 0.000 0.314 206 G HA3 0.633 4.595 3.960 0.004 0.000 0.314 206 G C -0.619 174.176 174.900 -0.175 0.000 1.130 206 G CA -0.360 44.746 45.100 0.011 0.000 0.864 206 G HN 0.342 nan 8.290 nan 0.000 0.486 207 I N 1.926 122.236 120.570 -0.433 0.000 2.406 207 I HA 0.307 4.479 4.170 0.004 0.000 0.290 207 I C -0.359 175.585 176.117 -0.289 0.000 0.999 207 I CA -0.955 60.175 61.300 -0.284 0.000 1.124 207 I CB 1.435 39.282 38.000 -0.254 0.000 1.289 207 I HN 0.043 nan 8.210 nan 0.000 0.441 208 V N 5.075 124.961 119.914 -0.048 0.000 2.417 208 V HA 0.250 4.373 4.120 0.004 0.000 0.291 208 V C 0.007 176.178 176.094 0.128 0.000 1.024 208 V CA -0.663 61.657 62.300 0.033 0.000 0.861 208 V CB 2.024 33.876 31.823 0.049 0.000 0.985 208 V HN 0.642 nan 8.190 nan 0.000 0.436 209 D N 4.196 124.679 120.400 0.139 0.000 2.352 209 D HA 0.148 4.790 4.640 0.004 0.000 0.245 209 D C 0.956 177.185 176.300 -0.117 0.000 1.224 209 D CA 0.025 54.051 54.000 0.044 0.000 0.879 209 D CB 1.896 42.787 40.800 0.152 0.000 1.057 209 D HN 0.254 nan 8.370 nan 0.000 0.491 210 V N 4.749 124.509 119.914 -0.257 0.000 2.295 210 V HA -0.255 3.867 4.120 0.004 0.000 0.246 210 V C 2.529 178.540 176.094 -0.138 0.000 1.049 210 V CA 2.145 64.319 62.300 -0.210 0.000 1.024 210 V CB -0.804 30.881 31.823 -0.229 0.000 0.648 210 V HN 0.706 nan 8.190 nan 0.000 0.447 211 A N -0.210 122.513 122.820 -0.163 0.000 1.908 211 A HA -0.255 4.068 4.320 0.004 0.000 0.218 211 A C 2.269 179.817 177.584 -0.060 0.000 1.181 211 A CA 2.102 54.079 52.037 -0.100 0.000 0.627 211 A CB -0.433 18.501 19.000 -0.109 0.000 0.818 211 A HN 0.564 nan 8.150 nan 0.000 0.445 212 K N -1.642 118.729 120.400 -0.050 0.000 2.365 212 K HA 0.169 4.491 4.320 0.004 0.000 0.197 212 K C 0.998 177.596 176.600 -0.004 0.000 1.042 212 K CA 0.459 56.738 56.287 -0.013 0.000 0.987 212 K CB -0.141 32.367 32.500 0.014 0.000 0.779 212 K HN 0.683 nan 8.250 nan 0.000 0.484 213 G N 2.783 111.573 108.800 -0.016 0.000 2.295 213 G HA2 -0.207 3.755 3.960 0.004 0.000 0.287 213 G HA3 -0.207 3.755 3.960 0.004 0.000 0.287 213 G C -0.884 174.038 174.900 0.037 0.000 1.055 213 G CA 0.377 45.477 45.100 0.000 0.000 0.922 213 G HN 0.258 nan 8.290 nan 0.000 0.503 214 D N -1.517 118.915 120.400 0.053 0.000 2.819 214 D HA 0.390 5.033 4.640 0.004 0.000 0.232 214 D C -0.458 175.927 176.300 0.141 0.000 1.160 214 D CA -0.644 53.414 54.000 0.097 0.000 0.858 214 D CB 1.044 41.893 40.800 0.082 0.000 1.610 214 D HN 0.120 nan 8.370 nan 0.000 0.481 215 Y N 1.706 122.030 120.300 0.041 0.000 2.480 215 Y HA 0.227 4.780 4.550 0.004 0.000 0.341 215 Y C 1.179 177.106 175.900 0.046 0.000 1.031 215 Y CA 0.280 58.407 58.100 0.044 0.000 1.295 215 Y CB 0.594 39.075 38.460 0.036 0.000 1.162 215 Y HN 0.190 nan 8.280 nan 0.000 0.523 216 V N 1.127 120.924 119.914 -0.195 0.000 3.604 216 V HA 0.410 4.532 4.120 0.004 0.000 0.277 216 V C -0.452 175.544 176.094 -0.163 0.000 1.399 216 V CA 0.344 62.589 62.300 -0.092 0.000 1.034 216 V CB 0.537 32.354 31.823 -0.009 0.000 0.824 216 V HN 0.615 nan 8.190 nan 0.000 0.439 217 E N 0.103 120.086 120.200 -0.362 0.000 2.354 217 E HA 0.410 4.762 4.350 0.004 0.000 0.283 217 E C -2.137 174.292 176.600 -0.286 0.000 0.938 217 E CA -0.291 55.965 56.400 -0.239 0.000 0.777 217 E CB 1.906 31.489 29.700 -0.194 0.000 1.222 217 E HN 0.240 nan 8.360 nan 0.000 0.423 218 D N 3.747 124.110 120.400 -0.061 0.000 2.471 218 D HA 0.281 4.923 4.640 0.004 0.000 0.245 218 D C -0.828 175.494 176.300 0.036 0.000 1.116 218 D CA -0.457 53.573 54.000 0.050 0.000 0.853 218 D CB 1.609 42.515 40.800 0.175 0.000 1.123 218 D HN 0.269 nan 8.370 nan 0.000 0.540 219 V N 4.544 124.481 119.914 0.039 0.000 2.276 219 V HA 0.037 4.159 4.120 0.004 0.000 0.249 219 V C 1.864 177.992 176.094 0.057 0.000 1.160 219 V CA -0.035 62.293 62.300 0.046 0.000 1.042 219 V CB 0.018 31.893 31.823 0.087 0.000 1.224 219 V HN 0.628 nan 8.190 nan 0.000 0.496 220 T N 0.322 114.904 114.554 0.047 0.000 3.035 220 T HA -0.072 4.280 4.350 0.004 0.000 0.268 220 T C 1.923 176.647 174.700 0.039 0.000 1.109 220 T CA 0.913 63.042 62.100 0.049 0.000 1.119 220 T CB 0.022 68.916 68.868 0.043 0.000 0.900 220 T HN 0.616 nan 8.240 nan 0.000 0.503 221 A N 1.615 124.451 122.820 0.027 0.000 2.076 221 A HA 0.308 4.630 4.320 0.004 0.000 0.220 221 A C 2.466 180.066 177.584 0.028 0.000 1.160 221 A CA 1.370 53.416 52.037 0.016 0.000 0.653 221 A CB -1.002 17.995 19.000 -0.004 0.000 0.801 221 A HN 0.745 nan 8.150 nan 0.000 0.455 222 A N -0.719 122.131 122.820 0.051 0.000 2.302 222 A HA 0.603 4.925 4.320 0.004 0.000 0.219 222 A C 1.152 178.786 177.584 0.083 0.000 1.243 222 A CA 0.497 52.577 52.037 0.071 0.000 0.856 222 A CB -0.962 18.098 19.000 0.101 0.000 0.893 222 A HN 1.026 nan 8.150 nan 0.000 0.491 223 A N -0.759 122.102 122.820 0.069 0.000 2.565 223 A HA 0.409 4.732 4.320 0.004 0.000 0.237 223 A C 1.682 179.305 177.584 0.066 0.000 1.053 223 A CA 0.723 52.803 52.037 0.072 0.000 0.755 223 A CB -0.628 18.402 19.000 0.050 0.000 0.980 223 A HN 1.987 nan 8.150 nan 0.000 0.506 224 G N 0.623 109.470 108.800 0.079 0.000 2.168 224 G HA2 -0.269 3.693 3.960 0.004 0.000 0.263 224 G HA3 -0.269 3.693 3.960 0.004 0.000 0.263 224 G C 0.374 175.326 174.900 0.086 0.000 0.977 224 G CA 0.461 45.597 45.100 0.060 0.000 0.659 224 G HN 1.194 nan 8.290 nan 0.000 0.533 225 c N -0.808 117.876 118.600 0.140 0.000 2.423 225 c HA 0.915 5.488 4.570 0.004 0.000 0.378 225 c C 0.206 174.506 174.090 0.351 0.000 1.244 225 c CA -0.874 55.562 56.329 0.178 0.000 1.978 225 c CB 1.570 44.156 42.510 0.125 0.000 2.252 225 c HN 0.509 nan 8.230 nan 0.000 0.526 226 W N 1.105 122.418 121.300 0.022 0.000 3.439 226 W HA 0.477 5.139 4.660 0.003 0.000 0.323 226 W C -0.526 176.012 176.519 0.031 0.000 1.174 226 W CA 0.197 57.555 57.345 0.021 0.000 1.224 226 W CB 1.711 31.169 29.460 -0.003 0.000 1.348 226 W HN 1.214 nan 8.180 nan 0.000 0.498 227 S N 1.798 117.195 115.700 -0.505 0.000 3.661 227 S HA -0.168 4.304 4.470 0.004 0.000 0.772 227 S C -1.864 172.659 174.600 -0.128 0.000 1.194 227 S CA -0.284 57.689 58.200 -0.378 0.000 1.148 227 S CB -1.116 61.954 63.200 -0.217 0.000 0.564 227 S HN 0.895 nan 8.310 nan 0.000 0.482 228 V N 2.045 121.898 119.914 -0.101 0.000 2.444 228 V HA 0.673 4.796 4.120 0.004 0.000 0.294 228 V C -0.132 175.973 176.094 0.017 0.000 1.022 228 V CA -0.496 61.765 62.300 -0.065 0.000 0.850 228 V CB 1.319 32.996 31.823 -0.243 0.000 0.992 228 V HN 0.785 nan 8.190 nan 0.000 0.426 229 I N 7.367 127.994 120.570 0.095 0.000 2.405 229 I HA 0.407 4.579 4.170 0.004 0.000 0.280 229 I C -2.496 173.653 176.117 0.052 0.000 1.027 229 I CA -1.766 59.587 61.300 0.088 0.000 1.161 229 I CB 1.746 39.835 38.000 0.148 0.000 1.300 229 I HN 0.428 nan 8.210 nan 0.000 0.463 230 P HA 0.126 nan 4.420 nan 0.000 0.271 230 P C -1.008 176.253 177.300 -0.065 0.000 1.218 230 P CA -0.401 62.723 63.100 0.040 0.000 0.780 230 P CB 0.457 32.178 31.700 0.035 0.000 0.901 231 Q N 3.957 123.680 119.800 -0.128 0.000 2.349 231 Q HA 0.168 4.510 4.340 0.004 0.000 0.254 231 Q C -1.703 174.356 176.000 0.099 0.000 0.980 231 Q CA -1.568 54.103 55.803 -0.220 0.000 0.924 231 Q CB 0.703 29.220 28.738 -0.367 0.000 1.209 231 Q HN 0.349 nan 8.270 nan 0.000 0.445 232 P HA -0.124 nan 4.420 nan 0.000 0.230 232 P C 0.413 177.806 177.300 0.156 0.000 1.158 232 P CA 0.906 64.104 63.100 0.163 0.000 0.769 232 P CB 0.251 32.044 31.700 0.155 0.000 0.807 233 N N -1.058 117.775 118.700 0.222 0.000 2.280 233 N HA 0.020 4.763 4.740 0.004 0.000 0.192 233 N C 0.321 175.905 175.510 0.125 0.000 1.109 233 N CA 0.174 53.319 53.050 0.157 0.000 0.855 233 N CB 0.123 38.707 38.487 0.161 0.000 0.974 233 N HN 0.067 nan 8.380 nan 0.000 0.482 234 R N 0.073 120.642 120.500 0.116 0.000 2.795 234 R HA 0.353 4.695 4.340 0.004 0.000 0.275 234 R C -1.896 174.446 176.300 0.070 0.000 0.981 234 R CA -1.648 54.499 56.100 0.078 0.000 0.917 234 R CB 2.252 32.589 30.300 0.061 0.000 1.202 234 R HN -0.084 nan 8.270 nan 0.000 0.469 235 P HA -0.042 nan 4.420 nan 0.000 0.220 235 P C 0.005 177.368 177.300 0.105 0.000 1.152 235 P CA 1.106 64.253 63.100 0.078 0.000 0.812 235 P CB 0.475 32.219 31.700 0.074 0.000 0.792 236 R N -0.855 119.701 120.500 0.092 0.000 2.635 236 R HA 0.366 4.708 4.340 0.004 0.000 0.393 236 R C -0.453 175.888 176.300 0.069 0.000 1.070 236 R CA -0.032 56.139 56.100 0.118 0.000 1.118 236 R CB 0.825 31.185 30.300 0.101 0.000 1.341 236 R HN -0.027 nan 8.270 nan 0.000 0.628 237 S N 0.884 116.617 115.700 0.054 0.000 2.536 237 S HA 0.773 5.245 4.470 0.004 0.000 0.298 237 S C -0.868 173.745 174.600 0.021 0.000 1.083 237 S CA -0.663 57.496 58.200 -0.069 0.000 0.995 237 S CB 1.425 64.563 63.200 -0.103 0.000 1.058 237 S HN 0.314 nan 8.310 nan 0.000 0.488 238 F N -0.808 119.071 119.950 -0.119 0.000 2.686 238 F HA 0.780 5.310 4.527 0.004 0.000 0.311 238 F C -1.305 174.416 175.800 -0.132 0.000 1.128 238 F CA -1.360 56.557 58.000 -0.139 0.000 0.946 238 F CB 1.023 39.966 39.000 -0.094 0.000 1.336 238 F HN 0.375 nan 8.300 nan 0.000 0.457 239 M N 1.322 120.977 119.600 0.092 0.000 2.662 239 M HA 0.668 5.150 4.480 0.004 0.000 0.310 239 M C -0.813 175.588 176.300 0.168 0.000 1.204 239 M CA -0.767 54.555 55.300 0.036 0.000 0.891 239 M CB 2.548 35.134 32.600 -0.022 0.000 1.732 239 M HN 0.847 nan 8.290 nan 0.000 0.467 240 T N 1.148 115.769 114.554 0.112 0.000 2.903 240 T HA 0.699 5.052 4.350 0.004 0.000 0.299 240 T C -1.349 173.395 174.700 0.073 0.000 1.093 240 T CA -0.637 61.531 62.100 0.112 0.000 1.002 240 T CB 1.081 70.029 68.868 0.132 0.000 1.127 240 T HN 0.541 nan 8.240 nan 0.000 0.488 241 I N 3.275 123.890 120.570 0.076 0.000 2.342 241 I HA 0.392 4.564 4.170 0.004 0.000 0.291 241 I C 0.288 176.463 176.117 0.098 0.000 1.010 241 I CA -0.608 60.728 61.300 0.061 0.000 1.308 241 I CB 0.763 38.780 38.000 0.029 0.000 1.400 241 I HN 0.576 nan 8.210 nan 0.000 0.488 242 c N 3.458 122.092 118.600 0.057 0.000 2.407 242 c HA 0.428 5.000 4.570 0.004 0.000 0.366 242 c C 1.851 175.929 174.090 -0.021 0.000 1.213 242 c CA -0.496 55.850 56.329 0.029 0.000 2.011 242 c CB 1.307 43.817 42.510 0.000 0.000 2.306 242 c HN 0.991 nan 8.230 nan 0.000 0.527 243 G N 0.571 109.352 108.800 -0.031 0.000 2.559 243 G HA2 -0.147 3.816 3.960 0.004 0.000 0.216 243 G HA3 -0.147 3.816 3.960 0.004 0.000 0.216 243 G C 0.856 175.670 174.900 -0.143 0.000 1.126 243 G CA 1.135 46.190 45.100 -0.074 0.000 0.778 243 G HN 0.925 nan 8.290 nan 0.000 0.543 244 D N -0.675 119.633 120.400 -0.153 0.000 2.340 244 D HA 0.174 4.816 4.640 0.004 0.000 0.220 244 D C 1.682 177.783 176.300 -0.332 0.000 1.039 244 D CA 0.503 54.387 54.000 -0.194 0.000 0.866 244 D CB -0.502 40.220 40.800 -0.131 0.000 0.913 244 D HN 0.399 nan 8.370 nan 0.000 0.523 245 G N -0.780 107.725 108.800 -0.491 0.000 2.159 245 G HA2 -0.152 3.810 3.960 0.004 0.000 0.256 245 G HA3 -0.152 3.810 3.960 0.004 0.000 0.256 245 G C 0.566 175.126 174.900 -0.565 0.000 0.977 245 G CA 0.158 44.641 45.100 -1.027 0.000 0.652 245 G HN 0.831 nan 8.290 nan 0.000 0.531 246 G N -1.130 107.521 108.800 -0.248 0.000 2.753 246 G HA2 0.766 4.728 3.960 0.004 0.000 0.285 246 G HA3 0.766 4.728 3.960 0.004 0.000 0.285 246 G C -0.494 174.389 174.900 -0.028 0.000 1.344 246 G CA -1.095 43.946 45.100 -0.098 0.000 1.050 246 G HN 0.662 nan 8.290 nan 0.000 0.532 247 L N -0.087 121.135 121.223 -0.003 0.000 2.365 247 L HA 0.480 4.822 4.340 0.004 0.000 0.273 247 L C -0.944 175.925 176.870 -0.002 0.000 1.000 247 L CA -0.867 53.980 54.840 0.011 0.000 0.819 247 L CB 2.076 44.158 42.059 0.038 0.000 1.284 247 L HN 0.339 nan 8.230 nan 0.000 0.418 248 L N 2.228 123.448 121.223 -0.005 0.000 2.282 248 L HA 0.526 4.868 4.340 0.004 0.000 0.288 248 L C -0.205 176.623 176.870 -0.071 0.000 1.033 248 L CA 0.460 55.282 54.840 -0.030 0.000 0.807 248 L CB 1.629 43.678 42.059 -0.017 0.000 1.209 248 L HN 0.489 nan 8.230 nan 0.000 0.423 249 T N 6.459 120.946 114.554 -0.112 0.000 2.795 249 T HA 0.587 4.939 4.350 0.004 0.000 0.282 249 T C -0.331 174.191 174.700 -0.297 0.000 0.980 249 T CA -0.250 61.729 62.100 -0.201 0.000 1.012 249 T CB 0.768 69.551 68.868 -0.141 0.000 0.936 249 T HN 0.327 nan 8.240 nan 0.000 0.457 250 I N 4.083 124.316 120.570 -0.561 0.000 2.406 250 I HA 0.366 4.538 4.170 0.004 0.000 0.290 250 I C -0.310 175.432 176.117 -0.624 0.000 0.999 250 I CA -0.895 60.017 61.300 -0.646 0.000 1.124 250 I CB 1.759 39.164 38.000 -0.991 0.000 1.289 250 I HN 0.540 nan 8.210 nan 0.000 0.441 251 N N 7.582 126.074 118.700 -0.348 0.000 2.476 251 N HA 0.454 5.196 4.740 0.004 0.000 0.257 251 N C -0.561 174.839 175.510 -0.184 0.000 0.970 251 N CA -0.473 52.438 53.050 -0.231 0.000 0.938 251 N CB 2.308 40.709 38.487 -0.143 0.000 1.144 251 N HN 0.433 nan 8.380 nan 0.000 0.500 252 L N 0.840 121.965 121.223 -0.163 0.000 2.371 252 L HA 0.444 4.786 4.340 0.004 0.000 0.272 252 L C 1.588 178.370 176.870 -0.147 0.000 1.124 252 L CA -0.659 54.072 54.840 -0.182 0.000 0.816 252 L CB 0.661 42.555 42.059 -0.275 0.000 1.129 252 L HN 0.416 nan 8.230 nan 0.000 0.448 253 G N 0.800 109.510 108.800 -0.150 0.000 2.621 253 G HA2 0.132 4.094 3.960 0.004 0.000 0.271 253 G HA3 0.132 4.094 3.960 0.004 0.000 0.271 253 G C 0.416 175.274 174.900 -0.069 0.000 1.236 253 G CA -0.413 44.635 45.100 -0.086 0.000 0.958 253 G HN 0.822 nan 8.290 nan 0.000 0.512 254 E N -0.252 119.963 120.200 0.026 0.000 2.478 254 E HA -0.079 4.273 4.350 0.004 0.000 0.198 254 E C 0.948 177.671 176.600 0.205 0.000 1.046 254 E CA 0.865 57.349 56.400 0.140 0.000 0.870 254 E CB 0.212 29.976 29.700 0.107 0.000 0.818 254 E HN 0.604 nan 8.360 nan 0.000 0.527 255 D N -0.998 119.444 120.400 0.071 0.000 2.349 255 D HA 0.055 4.698 4.640 0.004 0.000 0.214 255 D C 1.331 177.608 176.300 -0.039 0.000 1.063 255 D CA 0.544 54.593 54.000 0.082 0.000 0.847 255 D CB 0.236 41.051 40.800 0.025 0.000 0.933 255 D HN 0.128 nan 8.370 nan 0.000 0.513 256 G N 0.307 108.839 108.800 -0.447 0.000 2.179 256 G HA2 -0.325 3.638 3.960 0.004 0.000 0.260 256 G HA3 -0.325 3.638 3.960 0.004 0.000 0.260 256 G C 0.214 174.849 174.900 -0.442 0.000 0.977 256 G CA 0.341 44.874 45.100 -0.946 0.000 0.641 256 G HN 0.466 nan 8.290 nan 0.000 0.533 257 K N 0.133 120.384 120.400 -0.248 0.000 2.098 257 K HA 0.551 4.873 4.320 0.004 0.000 0.257 257 K C 0.704 177.214 176.600 -0.150 0.000 0.999 257 K CA -0.764 55.428 56.287 -0.159 0.000 0.924 257 K CB 1.880 34.324 32.500 -0.093 0.000 1.028 257 K HN 0.015 nan 8.250 nan 0.000 0.466 258 V N 2.614 122.460 119.914 -0.113 0.000 2.493 258 V HA -0.077 4.045 4.120 0.004 0.000 0.292 258 V C 1.042 177.079 176.094 -0.095 0.000 1.016 258 V CA 0.613 62.847 62.300 -0.109 0.000 1.097 258 V CB 0.535 32.306 31.823 -0.087 0.000 0.947 258 V HN 1.009 nan 8.190 nan 0.000 0.479 259 A N 4.350 127.109 122.820 -0.102 0.000 1.997 259 A HA 0.416 4.738 4.320 0.004 0.000 0.212 259 A C 0.943 178.485 177.584 -0.070 0.000 1.178 259 A CA 0.855 52.846 52.037 -0.077 0.000 0.698 259 A CB 0.159 19.116 19.000 -0.071 0.000 0.842 259 A HN 1.106 nan 8.150 nan 0.000 0.458 260 S N -1.505 114.142 115.700 -0.088 0.000 2.615 260 S HA 0.546 5.018 4.470 0.004 0.000 0.268 260 S C -1.206 173.329 174.600 -0.108 0.000 1.146 260 S CA -0.301 57.851 58.200 -0.080 0.000 0.818 260 S CB 0.782 63.944 63.200 -0.064 0.000 1.111 260 S HN 0.949 nan 8.310 nan 0.000 0.465 261 Q N -0.256 119.488 119.800 -0.092 0.000 2.534 261 Q HA 0.804 5.146 4.340 0.004 0.000 0.290 261 Q C -1.524 174.430 176.000 -0.076 0.000 0.991 261 Q CA -0.917 54.822 55.803 -0.107 0.000 0.783 261 Q CB 1.789 30.466 28.738 -0.101 0.000 1.470 261 Q HN 1.439 nan 8.270 nan 0.000 0.406 262 S N 0.568 116.223 115.700 -0.075 0.000 2.570 262 S HA 0.761 5.233 4.470 0.004 0.000 0.270 262 S C -1.236 173.339 174.600 -0.042 0.000 1.149 262 S CA -1.099 57.072 58.200 -0.047 0.000 0.837 262 S CB 2.070 65.250 63.200 -0.034 0.000 1.124 262 S HN 0.606 nan 8.310 nan 0.000 0.465 263 R N 1.564 122.048 120.500 -0.027 0.000 2.534 263 R HA 0.626 4.968 4.340 0.004 0.000 0.301 263 R C 0.110 176.404 176.300 -0.010 0.000 0.961 263 R CA -0.487 55.600 56.100 -0.022 0.000 0.871 263 R CB 1.870 32.155 30.300 -0.025 0.000 1.170 263 R HN 1.000 nan 8.270 nan 0.000 0.446 264 S N 1.677 117.376 115.700 -0.001 0.000 2.634 264 S HA 0.331 4.804 4.470 0.004 0.000 0.261 264 S C 0.254 174.854 174.600 -0.001 0.000 1.271 264 S CA -0.614 57.595 58.200 0.014 0.000 0.985 264 S CB 1.219 64.442 63.200 0.038 0.000 0.968 264 S HN 0.372 nan 8.310 nan 0.000 0.568 265 K N 0.399 120.804 120.400 0.009 0.000 2.187 265 K HA 0.080 4.402 4.320 0.004 0.000 0.247 265 K C 0.435 177.022 176.600 -0.022 0.000 1.019 265 K CA -0.303 55.981 56.287 -0.004 0.000 0.893 265 K CB 0.141 32.649 32.500 0.012 0.000 1.025 265 K HN 0.682 nan 8.250 nan 0.000 0.500 266 Q N 1.759 121.528 119.800 -0.051 0.000 2.263 266 Q HA -0.110 4.232 4.340 0.004 0.000 0.289 266 Q C 0.521 176.487 176.000 -0.056 0.000 1.061 266 Q CA 0.266 56.005 55.803 -0.107 0.000 0.927 266 Q CB 0.610 29.265 28.738 -0.139 0.000 1.154 266 Q HN 0.591 nan 8.270 nan 0.000 0.378 267 M N 5.169 124.725 119.600 -0.073 0.000 2.412 267 M HA 0.147 4.629 4.480 0.004 0.000 0.263 267 M C -0.538 175.763 176.300 0.002 0.000 1.122 267 M CA 0.760 56.097 55.300 0.063 0.000 1.179 267 M CB 0.532 33.224 32.600 0.154 0.000 1.335 267 M HN 0.609 nan 8.290 nan 0.000 0.465 268 F N -1.502 118.233 119.950 -0.359 0.000 2.588 268 F HA 0.608 5.137 4.527 0.004 0.000 0.314 268 F C -0.543 175.088 175.800 -0.282 0.000 1.069 268 F CA -1.359 56.297 58.000 -0.574 0.000 0.931 268 F CB 1.002 39.380 39.000 -1.038 0.000 1.260 268 F HN -0.232 nan 8.300 nan 0.000 0.465 269 S N 1.814 117.417 115.700 -0.162 0.000 2.455 269 S HA 0.250 4.723 4.470 0.004 0.000 0.278 269 S C 0.802 175.321 174.600 -0.135 0.000 1.216 269 S CA -0.556 57.537 58.200 -0.178 0.000 1.055 269 S CB 0.756 63.933 63.200 -0.038 0.000 0.939 269 S HN 0.640 nan 8.310 nan 0.000 0.494 270 V N 6.644 126.367 119.914 -0.317 0.000 2.332 270 V HA -0.125 3.997 4.120 0.004 0.000 0.248 270 V C 2.508 178.551 176.094 -0.086 0.000 1.055 270 V CA 1.599 63.801 62.300 -0.162 0.000 1.038 270 V CB -0.448 31.235 31.823 -0.234 0.000 0.651 270 V HN 0.752 nan 8.190 nan 0.000 0.450 271 K N -0.337 120.007 120.400 -0.093 0.000 2.076 271 K HA -0.076 4.246 4.320 0.004 0.000 0.204 271 K C 1.652 178.236 176.600 -0.027 0.000 1.051 271 K CA 1.272 57.517 56.287 -0.069 0.000 0.949 271 K CB -0.257 32.205 32.500 -0.064 0.000 0.726 271 K HN 0.473 nan 8.250 nan 0.000 0.443 272 D N -0.118 120.284 120.400 0.003 0.000 2.355 272 D HA -0.026 4.617 4.640 0.004 0.000 0.206 272 D C -0.076 176.317 176.300 0.156 0.000 1.010 272 D CA 0.614 54.641 54.000 0.044 0.000 0.875 272 D CB 0.443 41.251 40.800 0.013 0.000 0.966 272 D HN 0.037 nan 8.370 nan 0.000 0.512 273 D N 0.266 120.768 120.400 0.170 0.000 3.118 273 D HA 0.121 4.763 4.640 0.004 0.000 0.286 273 D C -2.725 173.647 176.300 0.120 0.000 1.255 273 D CA -1.493 52.673 54.000 0.275 0.000 0.748 273 D CB 1.133 42.139 40.800 0.343 0.000 1.332 273 D HN -0.109 nan 8.370 nan 0.000 0.575 274 P HA 0.156 nan 4.420 nan 0.000 0.268 274 P C 0.414 177.454 177.300 -0.433 0.000 1.204 274 P CA -0.257 62.652 63.100 -0.319 0.000 0.768 274 P CB 0.776 32.033 31.700 -0.737 0.000 0.842 275 I N -0.605 119.557 120.570 -0.680 0.000 2.577 275 I HA 0.427 4.600 4.170 0.004 0.000 0.300 275 I C 0.092 176.081 176.117 -0.214 0.000 0.990 275 I CA -1.077 59.963 61.300 -0.434 0.000 1.283 275 I CB 0.265 37.825 38.000 -0.734 0.000 1.411 275 I HN 0.012 nan 8.210 nan 0.000 0.515 276 F N 3.764 123.742 119.950 0.048 0.000 2.518 276 F HA 0.188 4.717 4.527 0.003 0.000 0.359 276 F C 1.575 177.445 175.800 0.116 0.000 1.118 276 F CA -0.226 57.840 58.000 0.111 0.000 1.287 276 F CB 0.710 39.785 39.000 0.125 0.000 1.132 276 F HN 0.535 nan 8.300 nan 0.000 0.587 277 I N 0.335 121.067 120.570 0.271 0.000 2.676 277 I HA 0.134 4.306 4.170 0.004 0.000 0.259 277 I C 1.079 177.428 176.117 0.388 0.000 1.194 277 I CA 0.214 61.657 61.300 0.238 0.000 1.473 277 I CB -0.648 37.425 38.000 0.121 0.000 1.096 277 I HN 0.436 nan 8.210 nan 0.000 0.443 278 A N 4.369 127.419 122.820 0.384 0.000 2.484 278 A HA 0.400 4.722 4.320 0.004 0.000 0.268 278 A C -2.230 175.466 177.584 0.186 0.000 1.114 278 A CA -1.056 51.163 52.037 0.303 0.000 0.780 278 A CB -0.724 18.448 19.000 0.285 0.000 1.061 278 A HN 0.262 nan 8.150 nan 0.000 0.505 279 P HA 0.391 nan 4.420 nan 0.000 0.281 279 P C -0.629 176.578 177.300 -0.155 0.000 1.249 279 P CA -0.310 62.609 63.100 -0.302 0.000 0.810 279 P CB 1.517 33.077 31.700 -0.233 0.000 1.008 280 A N 3.546 126.250 122.820 -0.193 0.000 2.478 280 A HA 0.388 4.710 4.320 0.004 0.000 0.327 280 A C -0.472 177.115 177.584 0.005 0.000 1.431 280 A CA -0.469 51.559 52.037 -0.015 0.000 1.014 280 A CB -0.674 18.366 19.000 0.066 0.000 1.143 280 A HN 0.500 nan 8.150 nan 0.000 0.532 281 L N 2.691 123.928 121.223 0.023 0.000 2.257 281 L HA 0.470 4.813 4.340 0.004 0.000 0.290 281 L C -0.289 176.626 176.870 0.075 0.000 1.044 281 L CA -0.039 54.828 54.840 0.045 0.000 0.810 281 L CB 0.890 42.989 42.059 0.067 0.000 1.193 281 L HN 0.665 nan 8.230 nan 0.000 0.425 282 D N 2.317 122.752 120.400 0.058 0.000 2.529 282 D HA 0.158 4.801 4.640 0.004 0.000 0.273 282 D C 0.740 177.066 176.300 0.042 0.000 1.197 282 D CA -0.337 53.682 54.000 0.031 0.000 1.070 282 D CB 1.548 42.343 40.800 -0.008 0.000 1.134 282 D HN 0.553 nan 8.370 nan 0.000 0.590 283 K N -0.614 119.785 120.400 -0.002 0.000 2.097 283 K HA -0.135 4.187 4.320 0.004 0.000 0.206 283 K C 0.581 177.159 176.600 -0.038 0.000 1.049 283 K CA 1.746 58.046 56.287 0.022 0.000 0.933 283 K CB 0.207 32.706 32.500 -0.001 0.000 0.717 283 K HN 0.387 nan 8.250 nan 0.000 0.442 284 D N -0.868 119.334 120.400 -0.330 0.000 2.556 284 D HA 0.038 4.680 4.640 0.004 0.000 0.237 284 D C -0.622 174.776 176.300 -1.502 0.000 1.296 284 D CA -0.343 53.162 54.000 -0.825 0.000 0.807 284 D CB 0.169 40.739 40.800 -0.384 0.000 1.084 284 D HN 0.291 nan 8.370 nan 0.000 0.510 285 K N -1.011 118.749 120.400 -1.067 0.000 2.555 285 K HA 0.803 5.126 4.320 0.004 0.000 0.279 285 K C -1.775 174.687 176.600 -0.231 0.000 0.986 285 K CA -1.165 54.706 56.287 -0.694 0.000 0.880 285 K CB 1.988 34.245 32.500 -0.406 0.000 1.474 285 K HN -0.033 nan 8.250 nan 0.000 0.433 286 A N 1.436 124.179 122.820 -0.128 0.000 2.449 286 A HA 0.608 4.930 4.320 0.004 0.000 0.302 286 A C -1.454 175.829 177.584 -0.501 0.000 1.048 286 A CA -0.805 51.092 52.037 -0.234 0.000 0.708 286 A CB 1.014 20.000 19.000 -0.024 0.000 1.274 286 A HN 0.739 nan 8.150 nan 0.000 0.410 287 H N 0.496 119.427 119.070 -0.230 0.000 2.569 287 H HA 0.669 5.227 4.556 0.004 0.000 0.357 287 H C -1.596 173.464 175.328 -0.446 0.000 1.153 287 H CA -0.263 55.703 56.048 -0.137 0.000 1.193 287 H CB 1.596 31.356 29.762 -0.003 0.000 1.602 287 H HN 0.525 nan 8.280 nan 0.000 0.523 288 F N 0.572 120.640 119.950 0.197 0.000 2.551 288 F HA 0.321 4.850 4.527 0.004 0.000 0.316 288 F C 0.288 176.149 175.800 0.102 0.000 1.089 288 F CA -1.118 56.960 58.000 0.131 0.000 0.915 288 F CB 1.935 40.985 39.000 0.084 0.000 1.186 288 F HN 0.279 nan 8.300 nan 0.000 0.456 289 V N -0.231 119.836 119.914 0.256 0.000 2.834 289 V HA 0.890 5.012 4.120 0.004 0.000 0.313 289 V C -0.160 176.153 176.094 0.364 0.000 1.060 289 V CA -0.622 61.782 62.300 0.173 0.000 0.989 289 V CB 1.375 33.196 31.823 -0.003 0.000 1.041 289 V HN 0.854 nan 8.190 nan 0.000 0.459 290 S N 1.944 117.832 115.700 0.313 0.000 2.718 290 S HA 0.492 4.964 4.470 0.004 0.000 0.300 290 S C 0.534 175.356 174.600 0.370 0.000 1.117 290 S CA -0.596 57.798 58.200 0.323 0.000 1.002 290 S CB 1.015 64.401 63.200 0.310 0.000 1.092 290 S HN 0.710 nan 8.310 nan 0.000 0.542 291 Y N -0.535 119.658 120.300 -0.178 0.000 2.384 291 Y HA -0.135 4.417 4.550 0.004 0.000 0.289 291 Y C 0.940 176.596 175.900 -0.406 0.000 1.152 291 Y CA 1.228 59.090 58.100 -0.396 0.000 1.258 291 Y CB -0.212 37.726 38.460 -0.870 0.000 0.979 291 Y HN 0.705 nan 8.280 nan 0.000 0.549 292 Y N -1.311 119.118 120.300 0.215 0.000 2.584 292 Y HA 0.342 4.894 4.550 0.004 0.000 0.254 292 Y C 1.394 177.345 175.900 0.085 0.000 1.177 292 Y CA 0.061 58.234 58.100 0.123 0.000 1.216 292 Y CB 0.926 39.448 38.460 0.103 0.000 1.172 292 Y HN 0.055 nan 8.280 nan 0.000 0.529 293 G N 0.651 109.551 108.800 0.166 0.000 2.142 293 G HA2 -0.252 3.711 3.960 0.004 0.000 0.225 293 G HA3 -0.252 3.711 3.960 0.004 0.000 0.225 293 G C -0.319 174.588 174.900 0.012 0.000 1.015 293 G CA -0.350 44.788 45.100 0.064 0.000 0.716 293 G HN 0.276 nan 8.290 nan 0.000 0.508 294 N N -0.843 117.876 118.700 0.031 0.000 2.482 294 N HA 0.678 5.420 4.740 0.004 0.000 0.279 294 N C -0.113 175.223 175.510 -0.289 0.000 1.182 294 N CA -0.255 52.712 53.050 -0.139 0.000 0.969 294 N CB 1.995 40.438 38.487 -0.074 0.000 1.201 294 N HN 0.138 nan 8.380 nan 0.000 0.523 295 V N 1.616 121.132 119.914 -0.662 0.000 2.540 295 V HA 0.416 4.539 4.120 0.004 0.000 0.302 295 V C -1.137 174.592 176.094 -0.607 0.000 1.035 295 V CA -0.676 61.203 62.300 -0.700 0.000 0.873 295 V CB 0.770 31.671 31.823 -1.538 0.000 0.992 295 V HN 0.495 nan 8.190 nan 0.000 0.428 296 Y N 1.311 121.625 120.300 0.024 0.000 2.509 296 Y HA 0.739 5.291 4.550 0.004 0.000 0.341 296 Y C 0.543 176.637 175.900 0.324 0.000 1.038 296 Y CA -0.531 57.681 58.100 0.188 0.000 1.089 296 Y CB 2.485 41.061 38.460 0.193 0.000 1.241 296 Y HN 0.587 nan 8.280 nan 0.000 0.468 297 S N 0.897 116.875 115.700 0.462 0.000 2.548 297 S HA 0.856 5.328 4.470 0.004 0.000 0.286 297 S C -1.274 173.517 174.600 0.318 0.000 1.098 297 S CA -0.900 57.518 58.200 0.364 0.000 0.930 297 S CB 1.783 65.189 63.200 0.344 0.000 1.070 297 S HN 0.716 nan 8.310 nan 0.000 0.480 298 A N 1.910 124.894 122.820 0.273 0.000 2.332 298 A HA 0.612 4.934 4.320 0.004 0.000 0.300 298 A C -1.123 176.578 177.584 0.194 0.000 1.153 298 A CA -0.600 51.610 52.037 0.287 0.000 0.764 298 A CB 0.653 19.905 19.000 0.419 0.000 1.174 298 A HN 0.696 nan 8.150 nan 0.000 0.467 299 D N 2.989 123.464 120.400 0.125 0.000 2.317 299 D HA 0.416 5.059 4.640 0.004 0.000 0.234 299 D C -0.535 175.807 176.300 0.070 0.000 1.112 299 D CA -0.229 53.761 54.000 -0.016 0.000 0.840 299 D CB 0.578 41.369 40.800 -0.015 0.000 1.078 299 D HN 0.424 nan 8.370 nan 0.000 0.486 300 F N 1.609 121.577 119.950 0.029 0.000 2.855 300 F HA 0.215 4.744 4.527 0.004 0.000 0.317 300 F C 1.601 177.412 175.800 0.018 0.000 1.169 300 F CA -0.695 57.320 58.000 0.026 0.000 1.299 300 F CB -0.301 38.717 39.000 0.030 0.000 0.962 300 F HN 0.158 nan 8.300 nan 0.000 0.506 301 S N -0.497 115.156 115.700 -0.077 0.000 2.419 301 S HA 0.156 4.629 4.470 0.004 0.000 0.233 301 S C 1.199 175.820 174.600 0.035 0.000 1.016 301 S CA 0.556 58.731 58.200 -0.042 0.000 0.974 301 S CB -0.714 62.443 63.200 -0.071 0.000 0.786 301 S HN 0.546 nan 8.310 nan 0.000 0.492 302 G N 0.256 109.090 108.800 0.056 0.000 2.613 302 G HA2 0.450 4.413 3.960 0.004 0.000 0.303 302 G HA3 0.450 4.413 3.960 0.004 0.000 0.303 302 G C -0.279 174.667 174.900 0.077 0.000 1.312 302 G CA -0.329 44.805 45.100 0.057 0.000 1.036 302 G HN 0.083 nan 8.290 nan 0.000 0.513 303 D N -0.214 120.216 120.400 0.050 0.000 2.144 303 D HA -0.022 4.620 4.640 0.004 0.000 0.200 303 D C 0.487 176.809 176.300 0.037 0.000 0.978 303 D CA 0.973 54.996 54.000 0.038 0.000 0.833 303 D CB 0.282 41.092 40.800 0.017 0.000 0.961 303 D HN 0.272 nan 8.370 nan 0.000 0.470 304 E N 1.034 121.258 120.200 0.041 0.000 2.200 304 E HA 0.244 4.597 4.350 0.004 0.000 0.283 304 E C -0.192 176.450 176.600 0.071 0.000 1.015 304 E CA -0.494 55.931 56.400 0.041 0.000 0.819 304 E CB 2.355 32.072 29.700 0.030 0.000 1.081 304 E HN -0.152 nan 8.360 nan 0.000 0.397 305 V N 3.889 123.854 119.914 0.084 0.000 2.508 305 V HA 0.068 4.190 4.120 0.004 0.000 0.281 305 V C 0.593 176.750 176.094 0.106 0.000 1.041 305 V CA -0.097 62.281 62.300 0.130 0.000 1.016 305 V CB 0.254 32.164 31.823 0.145 0.000 0.984 305 V HN 0.419 nan 8.190 nan 0.000 0.478 306 K N 3.914 124.381 120.400 0.111 0.000 2.185 306 K HA 0.659 4.981 4.320 0.004 0.000 0.269 306 K C -0.596 176.080 176.600 0.126 0.000 0.987 306 K CA -0.562 55.783 56.287 0.097 0.000 0.865 306 K CB 1.981 34.526 32.500 0.075 0.000 1.090 306 K HN 0.636 nan 8.250 nan 0.000 0.450 307 V N -0.486 119.506 119.914 0.129 0.000 2.715 307 V HA 0.659 4.781 4.120 0.004 0.000 0.310 307 V C -0.805 175.399 176.094 0.183 0.000 1.054 307 V CA -0.679 61.725 62.300 0.172 0.000 0.928 307 V CB 1.665 33.586 31.823 0.165 0.000 1.007 307 V HN 0.944 nan 8.190 nan 0.000 0.437 308 D N 1.024 121.568 120.400 0.241 0.000 2.692 308 D HA 0.802 5.444 4.640 0.004 0.000 0.303 308 D C -0.069 176.415 176.300 0.307 0.000 1.278 308 D CA 0.077 54.221 54.000 0.241 0.000 0.852 308 D CB 1.203 42.115 40.800 0.186 0.000 1.375 308 D HN 2.019 nan 8.370 nan 0.000 0.453 309 G N -0.617 108.315 108.800 0.219 0.000 2.539 309 G HA2 0.308 4.270 3.960 0.004 0.000 0.686 309 G HA3 0.308 4.270 3.960 0.004 0.000 0.686 309 G C -3.196 171.724 174.900 0.033 0.000 1.258 309 G CA -0.599 44.517 45.100 0.027 0.000 0.846 309 G HN 0.669 nan 8.290 nan 0.000 0.647 310 P HA 0.635 nan 4.420 nan 0.000 0.290 310 P C -0.412 176.848 177.300 -0.067 0.000 1.283 310 P CA -0.707 62.088 63.100 -0.508 0.000 0.869 310 P CB 0.994 32.416 31.700 -0.463 0.000 1.100 311 W N 0.051 121.241 121.300 -0.183 0.000 2.639 311 W HA 0.599 5.262 4.660 0.004 0.000 0.347 311 W C -0.941 175.542 176.519 -0.060 0.000 1.067 311 W CA -1.146 56.149 57.345 -0.084 0.000 1.218 311 W CB 0.747 30.176 29.460 -0.052 0.000 1.393 311 W HN 0.251 nan 8.180 nan 0.000 0.557 312 S N 1.282 117.127 115.700 0.243 0.000 2.525 312 S HA 0.299 4.771 4.470 0.004 0.000 0.278 312 S C 1.001 175.720 174.600 0.198 0.000 1.234 312 S CA -0.661 57.607 58.200 0.114 0.000 1.058 312 S CB 0.826 64.108 63.200 0.135 0.000 0.983 312 S HN 0.524 nan 8.310 nan 0.000 0.495 313 L N 4.011 125.258 121.223 0.041 0.000 2.456 313 L HA 0.095 4.437 4.340 0.004 0.000 0.224 313 L C 0.042 177.105 176.870 0.321 0.000 1.148 313 L CA 0.686 55.635 54.840 0.182 0.000 0.825 313 L CB -0.385 41.739 42.059 0.108 0.000 0.937 313 L HN 0.476 nan 8.230 nan 0.000 0.450 314 L N 0.362 121.736 121.223 0.251 0.000 2.317 314 L HA 0.302 4.644 4.340 0.004 0.000 0.281 314 L C -0.127 176.835 176.870 0.154 0.000 1.024 314 L CA -0.840 54.152 54.840 0.254 0.000 0.810 314 L CB 1.236 43.434 42.059 0.232 0.000 1.240 314 L HN 0.106 nan 8.230 nan 0.000 0.427 315 N N -0.037 118.719 118.700 0.093 0.000 2.476 315 N HA 0.146 4.888 4.740 0.004 0.000 0.287 315 N C 0.216 175.767 175.510 0.069 0.000 1.262 315 N CA -0.625 52.454 53.050 0.049 0.000 0.980 315 N CB 0.503 38.980 38.487 -0.016 0.000 1.163 315 N HN 0.391 nan 8.380 nan 0.000 0.592 316 D N -1.094 119.336 120.400 0.050 0.000 2.144 316 D HA -0.109 4.534 4.640 0.004 0.000 0.199 316 D C 1.880 178.226 176.300 0.076 0.000 0.984 316 D CA 2.141 56.177 54.000 0.061 0.000 0.834 316 D CB -0.653 40.172 40.800 0.042 0.000 0.955 316 D HN 0.817 nan 8.370 nan 0.000 0.465 317 E N 1.446 121.682 120.200 0.060 0.000 2.072 317 E HA -0.184 4.168 4.350 0.004 0.000 0.191 317 E C 1.690 178.380 176.600 0.151 0.000 0.985 317 E CA 1.469 57.917 56.400 0.079 0.000 0.801 317 E CB -0.670 29.051 29.700 0.035 0.000 0.750 317 E HN 0.236 nan 8.360 nan 0.000 0.452 318 D N 0.395 120.883 120.400 0.147 0.000 2.117 318 D HA -0.121 4.522 4.640 0.004 0.000 0.197 318 D C 1.956 178.487 176.300 0.384 0.000 0.987 318 D CA 1.456 55.632 54.000 0.293 0.000 0.829 318 D CB -0.208 40.758 40.800 0.277 0.000 0.961 318 D HN 0.455 nan 8.370 nan 0.000 0.460 319 K N 0.723 121.268 120.400 0.241 0.000 2.097 319 K HA -0.034 4.288 4.320 0.004 0.000 0.206 319 K C 2.134 178.836 176.600 0.170 0.000 1.049 319 K CA 1.020 57.423 56.287 0.194 0.000 0.933 319 K CB -0.072 32.508 32.500 0.134 0.000 0.717 319 K HN 0.021 nan 8.250 nan 0.000 0.442 320 A N 1.578 124.494 122.820 0.160 0.000 2.019 320 A HA -0.149 4.173 4.320 0.004 0.000 0.219 320 A C 1.624 179.290 177.584 0.137 0.000 1.164 320 A CA 1.398 53.511 52.037 0.127 0.000 0.644 320 A CB -0.107 18.958 19.000 0.109 0.000 0.805 320 A HN 0.177 nan 8.150 nan 0.000 0.449 321 K N -0.623 119.904 120.400 0.213 0.000 2.397 321 K HA 0.107 4.429 4.320 0.004 0.000 0.202 321 K C -0.334 176.287 176.600 0.035 0.000 1.022 321 K CA -0.074 56.306 56.287 0.157 0.000 1.141 321 K CB 0.255 32.922 32.500 0.278 0.000 0.857 321 K HN 0.401 nan 8.250 nan 0.000 0.514 322 N N 0.387 119.155 118.700 0.113 0.000 2.754 322 N HA -0.173 4.570 4.740 0.004 0.000 0.248 322 N C -1.255 174.246 175.510 -0.014 0.000 1.093 322 N CA 0.786 53.866 53.050 0.051 0.000 0.699 322 N CB -1.275 37.210 38.487 -0.003 0.000 1.016 322 N HN 0.250 nan 8.380 nan 0.000 0.552 323 W N 0.630 121.940 121.300 0.016 0.000 2.251 323 W HA 0.335 4.997 4.660 0.003 0.000 0.327 323 W C 1.161 177.555 176.519 -0.207 0.000 1.361 323 W CA -0.107 57.180 57.345 -0.095 0.000 1.234 323 W CB 0.595 30.075 29.460 0.034 0.000 1.212 323 W HN 0.049 nan 8.180 nan 0.000 0.557 324 V N 1.713 121.501 119.914 -0.210 0.000 3.188 324 V HA 0.674 4.796 4.120 0.004 0.000 0.305 324 V C -2.846 173.000 176.094 -0.413 0.000 1.232 324 V CA -3.502 58.646 62.300 -0.253 0.000 1.043 324 V CB 1.803 33.499 31.823 -0.211 0.000 1.068 324 V HN 0.218 nan 8.190 nan 0.000 0.439 325 P HA 0.606 nan 4.420 nan 0.000 0.274 325 P C -0.151 177.086 177.300 -0.105 0.000 1.231 325 P CA 0.395 63.339 63.100 -0.260 0.000 0.790 325 P CB 1.018 32.515 31.700 -0.339 0.000 0.951 326 G N -0.445 108.345 108.800 -0.016 0.000 2.742 326 G HA2 0.666 4.629 3.960 0.004 0.000 0.296 326 G HA3 0.666 4.629 3.960 0.004 0.000 0.296 326 G C -0.882 174.026 174.900 0.013 0.000 1.436 326 G CA -0.245 44.929 45.100 0.123 0.000 0.928 326 G HN 0.791 nan 8.290 nan 0.000 0.520 327 G N -0.733 108.044 108.800 -0.038 0.000 2.320 327 G HA2 0.332 4.295 3.960 0.004 0.000 0.274 327 G HA3 0.332 4.295 3.960 0.004 0.000 0.274 327 G C -0.545 174.273 174.900 -0.137 0.000 1.324 327 G CA 0.092 45.184 45.100 -0.013 0.000 0.957 327 G HN 0.712 nan 8.290 nan 0.000 0.481 328 Y N 0.008 120.403 120.300 0.157 0.000 3.031 328 Y HA 0.393 4.945 4.550 0.005 0.000 0.193 328 Y C 1.617 177.656 175.900 0.231 0.000 0.940 328 Y CA 0.249 58.437 58.100 0.146 0.000 1.653 328 Y CB 0.288 38.646 38.460 -0.169 0.000 1.333 328 Y HN 0.309 nan 8.280 nan 0.000 0.451 329 N N 2.948 121.833 118.700 0.308 0.000 3.050 329 N HA 0.124 4.866 4.740 0.004 0.000 0.289 329 N C 0.539 176.169 175.510 0.201 0.000 1.209 329 N CA 0.210 53.414 53.050 0.256 0.000 1.154 329 N CB 0.214 38.810 38.487 0.182 0.000 1.444 329 N HN 0.486 nan 8.380 nan 0.000 0.529 330 L N -0.828 120.473 121.223 0.130 0.000 2.607 330 L HA 0.298 4.641 4.340 0.004 0.000 0.228 330 L C 0.321 177.018 176.870 -0.289 0.000 1.123 330 L CA -0.030 54.818 54.840 0.012 0.000 0.890 330 L CB 0.213 42.240 42.059 -0.053 0.000 1.103 330 L HN -0.076 nan 8.230 nan 0.000 0.468 331 V N -2.519 117.295 119.914 -0.167 0.000 3.126 331 V HA 1.051 5.173 4.120 0.004 0.000 0.314 331 V C -0.095 175.954 176.094 -0.074 0.000 1.138 331 V CA 0.034 62.237 62.300 -0.160 0.000 1.034 331 V CB 1.209 32.975 31.823 -0.095 0.000 1.075 331 V HN 0.122 nan 8.190 nan 0.000 0.442 332 G N 0.487 109.283 108.800 -0.006 0.000 2.673 332 G HA2 0.641 4.603 3.960 0.004 0.000 0.292 332 G HA3 0.641 4.603 3.960 0.004 0.000 0.292 332 G C -2.389 172.619 174.900 0.180 0.000 1.450 332 G CA -0.728 44.412 45.100 0.067 0.000 0.837 332 G HN 1.121 nan 8.290 nan 0.000 0.505 333 L N 1.030 122.355 121.223 0.170 0.000 2.385 333 L HA 0.550 4.892 4.340 0.004 0.000 0.273 333 L C -0.365 176.645 176.870 0.233 0.000 0.990 333 L CA -0.870 54.094 54.840 0.207 0.000 0.821 333 L CB 1.834 43.981 42.059 0.148 0.000 1.279 333 L HN 0.719 nan 8.230 nan 0.000 0.412 334 H N 4.971 124.170 119.070 0.216 0.000 2.761 334 H HA 0.281 4.839 4.556 0.004 0.000 0.284 334 H C 0.475 175.856 175.328 0.089 0.000 1.105 334 H CA -0.085 56.052 56.048 0.148 0.000 1.352 334 H CB 0.933 30.836 29.762 0.235 0.000 1.423 334 H HN 0.732 nan 8.280 nan 0.000 0.464 335 R N 2.969 123.338 120.500 -0.219 0.000 2.092 335 R HA -0.086 4.256 4.340 0.004 0.000 0.231 335 R C 2.192 178.396 176.300 -0.159 0.000 1.119 335 R CA 1.238 57.261 56.100 -0.129 0.000 0.970 335 R CB 0.108 30.349 30.300 -0.100 0.000 0.864 335 R HN 0.606 nan 8.270 nan 0.000 0.440 336 A N 0.854 123.469 122.820 -0.341 0.000 1.933 336 A HA -0.169 4.154 4.320 0.004 0.000 0.218 336 A C 2.156 179.735 177.584 -0.008 0.000 1.175 336 A CA 1.980 53.919 52.037 -0.164 0.000 0.628 336 A CB -0.305 18.594 19.000 -0.167 0.000 0.814 336 A HN 0.428 nan 8.150 nan 0.000 0.444 337 S N -2.919 112.852 115.700 0.119 0.000 2.492 337 S HA 0.396 4.869 4.470 0.004 0.000 0.218 337 S C 1.501 176.156 174.600 0.092 0.000 1.016 337 S CA 1.156 59.459 58.200 0.172 0.000 0.916 337 S CB 0.009 63.385 63.200 0.293 0.000 0.791 337 S HN 1.914 nan 8.310 nan 0.000 0.513 338 G N 1.624 110.477 108.800 0.088 0.000 2.159 338 G HA2 -0.261 3.701 3.960 0.004 0.000 0.256 338 G HA3 -0.261 3.701 3.960 0.004 0.000 0.256 338 G C 0.071 174.984 174.900 0.021 0.000 0.977 338 G CA -0.030 45.098 45.100 0.045 0.000 0.652 338 G HN 0.579 nan 8.290 nan 0.000 0.531 339 R N -0.180 120.356 120.500 0.060 0.000 2.442 339 R HA 0.518 4.861 4.340 0.004 0.000 0.291 339 R C 0.471 176.689 176.300 -0.137 0.000 1.069 339 R CA 0.043 56.083 56.100 -0.100 0.000 1.022 339 R CB 0.724 30.924 30.300 -0.168 0.000 0.976 339 R HN 0.418 nan 8.270 nan 0.000 0.443 340 M N 3.441 122.886 119.600 -0.259 0.000 2.294 340 M HA 0.314 4.796 4.480 0.004 0.000 0.335 340 M C -1.583 174.489 176.300 -0.381 0.000 1.079 340 M CA -0.663 54.533 55.300 -0.173 0.000 0.982 340 M CB 1.064 33.612 32.600 -0.086 0.000 1.651 340 M HN 0.439 nan 8.290 nan 0.000 0.437 341 Y N 3.636 123.894 120.300 -0.070 0.000 2.341 341 Y HA 0.647 5.200 4.550 0.004 0.000 0.337 341 Y C -0.519 175.249 175.900 -0.220 0.000 1.014 341 Y CA -0.688 57.334 58.100 -0.132 0.000 1.111 341 Y CB 1.593 39.949 38.460 -0.174 0.000 1.194 341 Y HN 0.382 nan 8.280 nan 0.000 0.462 342 V N 4.089 123.934 119.914 -0.115 0.000 2.733 342 V HA 0.326 4.448 4.120 0.004 0.000 0.306 342 V C -0.721 175.250 176.094 -0.204 0.000 1.084 342 V CA -1.516 60.648 62.300 -0.227 0.000 0.905 342 V CB 1.590 33.309 31.823 -0.174 0.000 1.010 342 V HN 0.582 nan 8.190 nan 0.000 0.424 343 F N 5.139 125.023 119.950 -0.110 0.000 2.504 343 F HA 0.513 5.042 4.527 0.004 0.000 0.369 343 F C 0.541 176.229 175.800 -0.186 0.000 1.082 343 F CA 0.044 57.984 58.000 -0.101 0.000 1.216 343 F CB 0.775 39.741 39.000 -0.058 0.000 1.108 343 F HN 0.245 nan 8.300 nan 0.000 0.554 344 M N 4.278 123.891 119.600 0.022 0.000 2.619 344 M HA 0.389 4.871 4.480 0.004 0.000 0.297 344 M C -0.549 175.870 176.300 0.198 0.000 1.229 344 M CA -0.647 54.564 55.300 -0.147 0.000 0.860 344 M CB 2.482 34.604 32.600 -0.796 0.000 1.741 344 M HN 0.628 nan 8.290 nan 0.000 0.462 345 H N -0.480 118.631 119.070 0.068 0.000 3.012 345 H HA 0.673 5.231 4.556 0.004 0.000 0.367 345 H C -3.285 171.687 175.328 -0.593 0.000 1.211 345 H CA -1.771 54.185 56.048 -0.153 0.000 1.139 345 H CB 1.857 31.591 29.762 -0.048 0.000 1.838 345 H HN 0.283 nan 8.280 nan 0.000 0.550 346 P HA 0.072 nan 4.420 nan 0.000 0.282 346 P C -0.492 176.564 177.300 -0.408 0.000 1.287 346 P CA -0.110 62.278 63.100 -1.186 0.000 0.792 346 P CB 0.822 31.783 31.700 -1.232 0.000 1.163 347 D N -2.636 117.581 120.400 -0.304 0.000 2.751 347 D HA -0.133 4.509 4.640 0.004 0.000 0.233 347 D C 0.756 177.022 176.300 -0.057 0.000 1.149 347 D CA 1.280 55.212 54.000 -0.113 0.000 0.682 347 D CB -2.033 38.732 40.800 -0.059 0.000 1.068 347 D HN 0.643 nan 8.370 nan 0.000 0.429 348 G N 0.439 109.180 108.800 -0.099 0.000 2.491 348 G HA2 0.367 4.329 3.960 0.004 0.000 0.242 348 G HA3 0.367 4.329 3.960 0.004 0.000 0.242 348 G C 0.463 175.349 174.900 -0.024 0.000 1.266 348 G CA 0.187 45.241 45.100 -0.075 0.000 0.844 348 G HN 0.435 nan 8.290 nan 0.000 0.571 349 K N 0.095 120.475 120.400 -0.032 0.000 2.617 349 K HA 0.440 4.762 4.320 0.004 0.000 0.293 349 K C -1.021 175.585 176.600 0.010 0.000 1.034 349 K CA -1.069 55.228 56.287 0.017 0.000 0.884 349 K CB 0.924 33.428 32.500 0.006 0.000 1.541 349 K HN 0.337 nan 8.250 nan 0.000 0.409 350 E N 0.237 120.475 120.200 0.063 0.000 2.558 350 E HA 0.186 4.538 4.350 0.004 0.000 0.255 350 E C 0.810 177.428 176.600 0.031 0.000 0.968 350 E CA 2.392 58.838 56.400 0.076 0.000 0.939 350 E CB -0.244 29.508 29.700 0.086 0.000 0.921 350 E HN 0.852 nan 8.360 nan 0.000 0.477 351 G N 2.959 111.805 108.800 0.077 0.000 2.179 351 G HA2 -0.273 3.689 3.960 0.004 0.000 0.220 351 G HA3 -0.273 3.689 3.960 0.004 0.000 0.220 351 G C 0.720 175.460 174.900 -0.267 0.000 0.990 351 G CA 0.561 45.666 45.100 0.008 0.000 0.646 351 G HN 0.915 nan 8.290 nan 0.000 0.517 352 T N -1.548 112.767 114.554 -0.399 0.000 3.134 352 T HA 0.240 4.592 4.350 0.004 0.000 0.260 352 T C 1.760 176.144 174.700 -0.528 0.000 1.027 352 T CA 0.859 62.345 62.100 -1.022 0.000 0.913 352 T CB -0.496 67.631 68.868 -1.235 0.000 1.046 352 T HN 0.728 nan 8.240 nan 0.000 0.553 353 H N 1.189 120.054 119.070 -0.341 0.000 2.545 353 H HA 0.212 4.770 4.556 0.004 0.000 0.282 353 H C 0.911 176.197 175.328 -0.069 0.000 1.020 353 H CA 0.468 56.359 56.048 -0.261 0.000 1.243 353 H CB -0.117 29.068 29.762 -0.962 0.000 1.377 353 H HN 0.408 nan 8.280 nan 0.000 0.581 354 K N 0.226 120.409 120.400 -0.362 0.000 2.414 354 K HA 0.156 4.478 4.320 0.004 0.000 0.204 354 K C -0.606 175.980 176.600 -0.024 0.000 1.026 354 K CA -0.532 55.581 56.287 -0.290 0.000 1.108 354 K CB 0.510 32.736 32.500 -0.457 0.000 0.855 354 K HN -0.065 nan 8.250 nan 0.000 0.517 355 F N 2.449 122.197 119.950 -0.338 0.000 2.506 355 F HA 0.141 4.670 4.527 0.004 0.000 0.351 355 F C -1.765 173.855 175.800 -0.300 0.000 1.136 355 F CA -2.851 54.900 58.000 -0.415 0.000 1.298 355 F CB -0.077 38.406 39.000 -0.861 0.000 1.145 355 F HN -0.087 nan 8.300 nan 0.000 0.593 356 P HA 0.120 nan 4.420 nan 0.000 0.268 356 P C -1.087 176.149 177.300 -0.107 0.000 1.208 356 P CA -0.287 62.719 63.100 -0.158 0.000 0.777 356 P CB 0.398 31.986 31.700 -0.187 0.000 0.875 357 A N 2.433 125.150 122.820 -0.172 0.000 2.492 357 A HA 0.383 4.705 4.320 0.004 0.000 0.254 357 A C 1.482 179.099 177.584 0.055 0.000 1.091 357 A CA 0.404 52.424 52.037 -0.027 0.000 0.768 357 A CB -0.396 18.514 19.000 -0.151 0.000 1.028 357 A HN 0.588 nan 8.150 nan 0.000 0.498 358 A N 2.600 125.527 122.820 0.178 0.000 1.930 358 A HA 0.173 4.495 4.320 0.004 0.000 0.215 358 A C 0.821 178.593 177.584 0.314 0.000 1.176 358 A CA 1.166 53.338 52.037 0.225 0.000 0.632 358 A CB -0.023 19.125 19.000 0.247 0.000 0.819 358 A HN 0.834 nan 8.150 nan 0.000 0.445 359 E N -1.511 118.918 120.200 0.382 0.000 2.408 359 E HA 0.562 4.914 4.350 0.004 0.000 0.275 359 E C -1.611 175.192 176.600 0.339 0.000 0.935 359 E CA -0.692 55.933 56.400 0.376 0.000 0.775 359 E CB 1.977 31.976 29.700 0.499 0.000 1.277 359 E HN 0.263 nan 8.360 nan 0.000 0.455 360 I N 1.544 122.315 120.570 0.335 0.000 2.336 360 I HA 0.305 4.477 4.170 0.004 0.000 0.292 360 I C -0.757 175.595 176.117 0.392 0.000 0.991 360 I CA -0.632 60.848 61.300 0.300 0.000 1.227 360 I CB 0.603 38.717 38.000 0.189 0.000 1.366 360 I HN 0.246 nan 8.210 nan 0.000 0.466 361 W N 5.443 126.728 121.300 -0.024 0.000 2.496 361 W HA 0.530 5.192 4.660 0.004 0.000 0.327 361 W C -0.573 175.852 176.519 -0.157 0.000 1.086 361 W CA -0.967 56.318 57.345 -0.100 0.000 1.222 361 W CB 1.199 30.585 29.460 -0.123 0.000 1.304 361 W HN -0.002 nan 8.180 nan 0.000 0.547 362 V N 5.831 125.738 119.914 -0.010 0.000 2.357 362 V HA 0.400 4.523 4.120 0.004 0.000 0.284 362 V C -0.014 175.963 176.094 -0.195 0.000 1.018 362 V CA -0.877 61.265 62.300 -0.264 0.000 0.841 362 V CB 0.870 32.534 31.823 -0.265 0.000 0.991 362 V HN 0.324 nan 8.190 nan 0.000 0.437 363 M N 3.462 122.941 119.600 -0.201 0.000 2.294 363 M HA 0.447 4.929 4.480 0.004 0.000 0.335 363 M C -0.501 175.737 176.300 -0.102 0.000 1.079 363 M CA -0.721 54.543 55.300 -0.060 0.000 0.982 363 M CB 1.558 34.216 32.600 0.098 0.000 1.651 363 M HN 0.552 nan 8.290 nan 0.000 0.437 364 D N 2.484 122.826 120.400 -0.096 0.000 2.339 364 D HA 0.131 4.773 4.640 0.004 0.000 0.241 364 D C 0.986 177.196 176.300 -0.150 0.000 1.183 364 D CA 0.123 54.051 54.000 -0.119 0.000 0.859 364 D CB 1.153 41.878 40.800 -0.125 0.000 1.067 364 D HN 0.757 nan 8.370 nan 0.000 0.484 365 T N 1.219 115.695 114.554 -0.129 0.000 3.035 365 T HA -0.050 4.302 4.350 0.004 0.000 0.268 365 T C 1.525 176.079 174.700 -0.242 0.000 1.109 365 T CA 0.709 62.707 62.100 -0.170 0.000 1.119 365 T CB 0.205 68.947 68.868 -0.210 0.000 0.900 365 T HN 0.299 nan 8.240 nan 0.000 0.503 366 K N 1.361 121.651 120.400 -0.184 0.000 2.007 366 K HA -0.021 4.301 4.320 0.004 0.000 0.206 366 K C 2.742 179.198 176.600 -0.240 0.000 1.047 366 K CA 1.742 57.926 56.287 -0.171 0.000 0.937 366 K CB -0.353 32.083 32.500 -0.108 0.000 0.718 366 K HN 0.566 nan 8.250 nan 0.000 0.438 367 T N -1.256 113.152 114.554 -0.243 0.000 3.067 367 T HA 0.080 4.432 4.350 0.004 0.000 0.261 367 T C 0.325 174.794 174.700 -0.386 0.000 1.110 367 T CA 0.040 61.989 62.100 -0.252 0.000 1.113 367 T CB -0.168 68.593 68.868 -0.178 0.000 0.917 367 T HN 0.145 nan 8.240 nan 0.000 0.499 368 K N 1.051 121.098 120.400 -0.589 0.000 3.125 368 K HA -0.127 4.195 4.320 0.004 0.000 0.268 368 K C -0.680 175.631 176.600 -0.482 0.000 1.078 368 K CA 0.413 56.041 56.287 -1.098 0.000 0.775 368 K CB -1.257 30.342 32.500 -1.502 0.000 1.253 368 K HN 0.519 nan 8.250 nan 0.000 0.486 369 Q N 0.268 119.927 119.800 -0.234 0.000 2.389 369 Q HA 0.321 4.663 4.340 0.004 0.000 0.277 369 Q C -0.535 175.428 176.000 -0.063 0.000 1.082 369 Q CA -0.899 54.850 55.803 -0.091 0.000 0.810 369 Q CB 2.195 30.862 28.738 -0.118 0.000 1.374 369 Q HN 0.251 nan 8.270 nan 0.000 0.422 370 R N 0.713 121.169 120.500 -0.072 0.000 2.491 370 R HA 0.177 4.520 4.340 0.004 0.000 0.283 370 R C 0.922 177.118 176.300 -0.173 0.000 1.072 370 R CA 0.214 56.229 56.100 -0.142 0.000 1.048 370 R CB 0.517 30.631 30.300 -0.310 0.000 0.983 370 R HN 0.563 nan 8.270 nan 0.000 0.450 371 V N 0.545 120.358 119.914 -0.168 0.000 3.455 371 V HA 0.511 4.633 4.120 0.004 0.000 0.250 371 V C 0.300 176.299 176.094 -0.159 0.000 1.230 371 V CA 0.706 62.915 62.300 -0.151 0.000 1.105 371 V CB 0.183 31.933 31.823 -0.122 0.000 0.850 371 V HN 0.708 nan 8.190 nan 0.000 0.461 372 A N 1.182 123.894 122.820 -0.180 0.000 2.609 372 A HA 0.913 5.235 4.320 0.004 0.000 0.291 372 A C -0.777 176.687 177.584 -0.199 0.000 1.096 372 A CA -0.856 51.084 52.037 -0.162 0.000 0.684 372 A CB 1.570 20.518 19.000 -0.087 0.000 1.282 372 A HN 0.669 nan 8.150 nan 0.000 0.412 373 R N 0.423 120.820 120.500 -0.171 0.000 2.584 373 R HA 0.800 5.142 4.340 0.004 0.000 0.276 373 R C -1.304 174.998 176.300 0.003 0.000 1.046 373 R CA -0.529 55.499 56.100 -0.120 0.000 0.906 373 R CB 1.220 31.293 30.300 -0.379 0.000 1.215 373 R HN 1.191 nan 8.270 nan 0.000 0.449 374 I N -2.083 118.548 120.570 0.102 0.000 3.074 374 I HA 0.622 4.794 4.170 0.004 0.000 0.310 374 I C -2.837 173.384 176.117 0.173 0.000 1.153 374 I CA -3.302 58.069 61.300 0.118 0.000 0.993 374 I CB 2.645 40.710 38.000 0.108 0.000 1.237 374 I HN 0.339 nan 8.210 nan 0.000 0.443 375 P HA 0.118 nan 4.420 nan 0.000 0.266 375 P C 0.573 177.992 177.300 0.199 0.000 1.195 375 P CA 0.193 63.403 63.100 0.183 0.000 0.768 375 P CB 0.778 32.570 31.700 0.152 0.000 0.838 376 G N 2.798 111.710 108.800 0.187 0.000 2.838 376 G HA2 -0.086 3.876 3.960 0.004 0.000 0.210 376 G HA3 -0.086 3.876 3.960 0.004 0.000 0.210 376 G C 0.380 175.333 174.900 0.088 0.000 1.153 376 G CA -0.239 44.958 45.100 0.161 0.000 0.778 376 G HN 0.517 nan 8.290 nan 0.000 0.539 377 R N 0.209 120.761 120.500 0.087 0.000 3.516 377 R HA -0.163 4.180 4.340 0.004 0.000 0.271 377 R C -0.119 176.164 176.300 -0.028 0.000 1.098 377 R CA 0.577 56.705 56.100 0.046 0.000 0.732 377 R CB -1.902 28.450 30.300 0.087 0.000 1.152 377 R HN 0.351 nan 8.270 nan 0.000 0.455 378 D N -2.879 117.485 120.400 -0.061 0.000 2.911 378 D HA -0.207 4.435 4.640 0.004 0.000 0.227 378 D C 0.324 176.496 176.300 -0.212 0.000 1.164 378 D CA 1.675 55.601 54.000 -0.123 0.000 0.782 378 D CB -1.024 39.715 40.800 -0.102 0.000 1.094 378 D HN 0.683 nan 8.370 nan 0.000 0.425 379 A N -0.341 122.284 122.820 -0.326 0.000 2.386 379 A HA 0.502 4.824 4.320 0.004 0.000 0.248 379 A C 1.385 178.502 177.584 -0.778 0.000 1.082 379 A CA -0.028 51.694 52.037 -0.525 0.000 0.789 379 A CB 0.522 19.157 19.000 -0.608 0.000 1.025 379 A HN 0.247 nan 8.150 nan 0.000 0.490 380 L N 0.364 121.301 121.223 -0.477 0.000 2.653 380 L HA 0.206 4.548 4.340 0.004 0.000 0.230 380 L C 0.562 177.511 176.870 0.133 0.000 1.055 380 L CA 0.414 55.146 54.840 -0.179 0.000 0.880 380 L CB 0.411 42.493 42.059 0.038 0.000 1.195 380 L HN 0.607 nan 8.230 nan 0.000 0.492 381 S N 0.210 116.034 115.700 0.207 0.000 2.595 381 S HA 0.808 5.280 4.470 0.004 0.000 0.281 381 S C -0.692 174.179 174.600 0.451 0.000 1.117 381 S CA -0.633 57.796 58.200 0.382 0.000 0.873 381 S CB 2.498 65.788 63.200 0.150 0.000 1.108 381 S HN 0.165 nan 8.310 nan 0.000 0.477 382 M N -0.005 119.774 119.600 0.298 0.000 2.664 382 M HA 0.853 5.336 4.480 0.004 0.000 0.279 382 M C -0.969 175.385 176.300 0.089 0.000 1.275 382 M CA -0.535 54.865 55.300 0.168 0.000 0.829 382 M CB 2.055 34.652 32.600 -0.006 0.000 1.727 382 M HN 0.516 nan 8.290 nan 0.000 0.459 383 T N 0.526 115.128 114.554 0.079 0.000 2.853 383 T HA 0.712 5.065 4.350 0.004 0.000 0.311 383 T C -1.934 172.870 174.700 0.174 0.000 1.307 383 T CA -0.658 61.511 62.100 0.115 0.000 1.019 383 T CB 1.709 70.656 68.868 0.132 0.000 1.264 383 T HN 0.625 nan 8.240 nan 0.000 0.497 384 I N 2.821 123.493 120.570 0.171 0.000 2.509 384 I HA 0.428 4.600 4.170 0.004 0.000 0.293 384 I C -0.479 175.646 176.117 0.013 0.000 1.020 384 I CA -0.687 60.669 61.300 0.092 0.000 1.088 384 I CB 1.744 39.756 38.000 0.019 0.000 1.267 384 I HN 0.764 nan 8.210 nan 0.000 0.430 385 D N 4.276 124.503 120.400 -0.289 0.000 2.349 385 D HA 0.247 4.889 4.640 0.004 0.000 0.232 385 D C 0.872 177.004 176.300 -0.279 0.000 1.071 385 D CA -0.320 53.318 54.000 -0.604 0.000 0.832 385 D CB 1.429 41.316 40.800 -1.520 0.000 1.086 385 D HN 0.284 nan 8.370 nan 0.000 0.504 386 Q N 2.158 121.854 119.800 -0.173 0.000 2.049 386 Q HA -0.142 4.200 4.340 0.004 0.000 0.198 386 Q C 1.443 177.389 176.000 -0.091 0.000 0.971 386 Q CA 1.385 57.121 55.803 -0.111 0.000 0.833 386 Q CB -0.125 28.545 28.738 -0.112 0.000 0.896 386 Q HN 0.707 nan 8.270 nan 0.000 0.434 387 Q N 0.132 119.868 119.800 -0.106 0.000 2.297 387 Q HA -0.040 4.303 4.340 0.004 0.000 0.204 387 Q C 1.325 177.297 176.000 -0.047 0.000 0.962 387 Q CA 0.696 56.462 55.803 -0.062 0.000 0.879 387 Q CB 0.169 28.878 28.738 -0.048 0.000 0.947 387 Q HN 0.078 nan 8.270 nan 0.000 0.462 388 R N 0.334 120.777 120.500 -0.095 0.000 2.397 388 R HA 0.114 4.456 4.340 0.004 0.000 0.241 388 R C -0.490 175.785 176.300 -0.043 0.000 0.914 388 R CA -0.066 56.000 56.100 -0.057 0.000 1.071 388 R CB 0.345 30.606 30.300 -0.066 0.000 1.116 388 R HN 0.137 nan 8.270 nan 0.000 0.524 389 N N 0.830 119.515 118.700 -0.025 0.000 2.708 389 N HA -0.200 4.543 4.740 0.004 0.000 0.255 389 N C -1.187 174.300 175.510 -0.038 0.000 1.046 389 N CA 0.931 54.004 53.050 0.038 0.000 0.715 389 N CB -1.137 37.391 38.487 0.067 0.000 0.895 389 N HN 0.233 nan 8.380 nan 0.000 0.545 390 L N -0.208 120.954 121.223 -0.102 0.000 2.354 390 L HA 0.653 4.995 4.340 0.004 0.000 0.264 390 L C 0.245 177.102 176.870 -0.021 0.000 1.008 390 L CA -0.632 54.170 54.840 -0.063 0.000 0.819 390 L CB 2.277 44.270 42.059 -0.110 0.000 1.339 390 L HN 0.151 nan 8.230 nan 0.000 0.420 391 M N 3.252 122.880 119.600 0.047 0.000 2.326 391 M HA 0.560 5.043 4.480 0.004 0.000 0.306 391 M C -1.858 174.557 176.300 0.191 0.000 1.054 391 M CA -0.482 54.845 55.300 0.045 0.000 0.922 391 M CB 1.799 34.278 32.600 -0.202 0.000 1.632 391 M HN 0.462 nan 8.290 nan 0.000 0.436 392 L N 3.816 125.137 121.223 0.165 0.000 2.322 392 L HA 0.697 5.039 4.340 0.004 0.000 0.279 392 L C 0.179 177.144 176.870 0.159 0.000 1.036 392 L CA -0.681 54.218 54.840 0.099 0.000 0.807 392 L CB 1.813 43.800 42.059 -0.119 0.000 1.226 392 L HN 0.788 nan 8.230 nan 0.000 0.433 393 T N 0.533 115.224 114.554 0.228 0.000 2.924 393 T HA 0.776 5.128 4.350 0.004 0.000 0.291 393 T C -0.977 173.801 174.700 0.129 0.000 1.045 393 T CA -0.803 61.460 62.100 0.271 0.000 1.015 393 T CB 2.221 71.342 68.868 0.422 0.000 1.103 393 T HN 0.380 nan 8.240 nan 0.000 0.496 394 L N 1.920 123.192 121.223 0.082 0.000 2.505 394 L HA 0.581 4.923 4.340 0.004 0.000 0.266 394 L C -0.575 176.258 176.870 -0.061 0.000 0.954 394 L CA -0.349 54.487 54.840 -0.005 0.000 0.852 394 L CB 2.093 44.147 42.059 -0.009 0.000 1.282 394 L HN 0.874 nan 8.230 nan 0.000 0.403 395 D N 1.995 122.348 120.400 -0.079 0.000 2.363 395 D HA 0.390 5.032 4.640 0.004 0.000 0.214 395 D C 1.114 177.351 176.300 -0.105 0.000 1.093 395 D CA 0.544 54.478 54.000 -0.109 0.000 0.837 395 D CB 0.752 41.493 40.800 -0.098 0.000 0.948 395 D HN 0.955 nan 8.370 nan 0.000 0.507 396 G N -0.756 107.984 108.800 -0.100 0.000 2.339 396 G HA2 -0.185 3.777 3.960 0.004 0.000 0.209 396 G HA3 -0.185 3.777 3.960 0.004 0.000 0.209 396 G C 1.098 175.952 174.900 -0.076 0.000 1.015 396 G CA 0.065 45.100 45.100 -0.108 0.000 0.635 396 G HN 0.760 nan 8.290 nan 0.000 0.499 397 G N -0.351 108.411 108.800 -0.064 0.000 2.649 397 G HA2 0.366 4.329 3.960 0.004 0.000 0.199 397 G HA3 0.366 4.329 3.960 0.004 0.000 0.199 397 G C 0.144 175.012 174.900 -0.053 0.000 1.085 397 G CA 0.613 45.688 45.100 -0.042 0.000 0.804 397 G HN 0.466 nan 8.290 nan 0.000 0.671 398 N N 0.327 118.986 118.700 -0.068 0.000 2.269 398 N HA 0.548 5.290 4.740 0.004 0.000 0.304 398 N C -1.380 174.077 175.510 -0.088 0.000 1.072 398 N CA -0.259 52.740 53.050 -0.085 0.000 0.802 398 N CB 3.015 41.460 38.487 -0.070 0.000 1.348 398 N HN -0.147 nan 8.380 nan 0.000 0.484 399 V N 2.219 122.061 119.914 -0.120 0.000 2.417 399 V HA 0.343 4.465 4.120 0.004 0.000 0.291 399 V C -0.215 175.827 176.094 -0.086 0.000 1.024 399 V CA -0.870 61.368 62.300 -0.103 0.000 0.861 399 V CB 1.275 33.002 31.823 -0.159 0.000 0.985 399 V HN 0.535 nan 8.190 nan 0.000 0.436 400 N N 3.316 121.995 118.700 -0.036 0.000 2.430 400 N HA 0.517 5.260 4.740 0.004 0.000 0.292 400 N C -0.855 174.609 175.510 -0.077 0.000 1.051 400 N CA -0.335 52.663 53.050 -0.087 0.000 0.917 400 N CB 2.504 40.969 38.487 -0.036 0.000 1.164 400 N HN 0.367 nan 8.380 nan 0.000 0.484 401 V N 3.121 122.930 119.914 -0.176 0.000 2.384 401 V HA 0.363 4.486 4.120 0.004 0.000 0.287 401 V C -0.919 175.078 176.094 -0.161 0.000 1.020 401 V CA -0.610 61.650 62.300 -0.067 0.000 0.850 401 V CB 0.071 31.908 31.823 0.024 0.000 0.987 401 V HN 0.505 nan 8.190 nan 0.000 0.436 402 Y N 1.770 122.083 120.300 0.022 0.000 2.429 402 Y HA 0.483 5.035 4.550 0.004 0.000 0.342 402 Y C 0.140 176.036 175.900 -0.008 0.000 1.004 402 Y CA -0.974 57.131 58.100 0.009 0.000 1.075 402 Y CB 1.655 40.109 38.460 -0.010 0.000 1.214 402 Y HN 0.642 nan 8.280 nan 0.000 0.455 403 D N 3.782 124.278 120.400 0.160 0.000 2.316 403 D HA 0.171 4.813 4.640 0.004 0.000 0.245 403 D C 0.122 176.453 176.300 0.053 0.000 1.171 403 D CA -0.224 53.826 54.000 0.083 0.000 0.856 403 D CB 0.612 41.453 40.800 0.068 0.000 1.090 403 D HN 0.594 nan 8.370 nan 0.000 0.476 404 I N 1.066 121.619 120.570 -0.028 0.000 3.762 404 I HA 0.196 4.368 4.170 0.004 0.000 0.333 404 I C 1.006 177.018 176.117 -0.175 0.000 1.566 404 I CA -0.469 60.770 61.300 -0.102 0.000 1.129 404 I CB 0.186 38.039 38.000 -0.246 0.000 1.218 404 I HN 0.192 nan 8.210 nan 0.000 0.456 405 S N -0.505 115.144 115.700 -0.085 0.000 2.447 405 S HA 0.071 4.543 4.470 0.004 0.000 0.233 405 S C 0.933 175.495 174.600 -0.062 0.000 1.006 405 S CA 0.405 58.563 58.200 -0.069 0.000 0.957 405 S CB -0.247 62.952 63.200 -0.002 0.000 0.773 405 S HN 0.567 nan 8.310 nan 0.000 0.507 406 Q N 0.416 120.190 119.800 -0.042 0.000 2.359 406 Q HA 0.468 4.810 4.340 0.004 0.000 0.275 406 Q C -2.250 173.736 176.000 -0.022 0.000 1.082 406 Q CA -2.422 53.366 55.803 -0.025 0.000 0.849 406 Q CB 0.685 29.421 28.738 -0.004 0.000 1.377 406 Q HN -0.021 nan 8.270 nan 0.000 0.452 407 P HA -0.148 nan 4.420 nan 0.000 0.216 407 P C -0.171 177.132 177.300 0.005 0.000 1.150 407 P CA 1.230 64.317 63.100 -0.021 0.000 0.837 407 P CB 0.398 32.074 31.700 -0.040 0.000 0.786 408 E N 0.395 120.602 120.200 0.011 0.000 2.152 408 E HA 0.174 4.526 4.350 0.004 0.000 0.285 408 E C -2.299 174.339 176.600 0.063 0.000 1.043 408 E CA -2.822 53.597 56.400 0.031 0.000 0.839 408 E CB 0.460 30.173 29.700 0.022 0.000 1.069 408 E HN 0.029 nan 8.360 nan 0.000 0.399 409 P HA 0.028 nan 4.420 nan 0.000 0.269 409 P C -1.246 176.174 177.300 0.199 0.000 1.209 409 P CA -0.012 63.156 63.100 0.115 0.000 0.776 409 P CB 0.511 32.209 31.700 -0.003 0.000 0.876 410 K N 2.936 123.473 120.400 0.229 0.000 2.323 410 K HA 0.421 4.743 4.320 0.004 0.000 0.259 410 K C -1.250 175.454 176.600 0.175 0.000 0.947 410 K CA -0.857 55.541 56.287 0.185 0.000 0.819 410 K CB 0.422 32.980 32.500 0.096 0.000 1.109 410 K HN 0.215 nan 8.250 nan 0.000 0.429 411 L N 6.339 127.599 121.223 0.060 0.000 2.418 411 L HA 0.210 4.552 4.340 0.004 0.000 0.274 411 L C -0.067 176.711 176.870 -0.152 0.000 1.135 411 L CA 0.561 55.234 54.840 -0.279 0.000 0.870 411 L CB 0.185 42.073 42.059 -0.284 0.000 1.154 411 L HN 0.905 nan 8.230 nan 0.000 0.462 412 L N 4.927 126.051 121.223 -0.164 0.000 2.221 412 L HA 0.281 4.623 4.340 0.004 0.000 0.202 412 L C 0.802 177.631 176.870 -0.069 0.000 1.074 412 L CA 0.190 54.992 54.840 -0.064 0.000 0.795 412 L CB -0.276 41.783 42.059 -0.001 0.000 0.960 412 L HN 0.768 nan 8.230 nan 0.000 0.458 413 R N -1.573 118.862 120.500 -0.108 0.000 2.741 413 R HA 0.431 4.773 4.340 0.004 0.000 0.276 413 R C -1.554 174.677 176.300 -0.114 0.000 1.028 413 R CA -0.713 55.337 56.100 -0.083 0.000 0.865 413 R CB 1.203 31.482 30.300 -0.035 0.000 1.268 413 R HN -0.315 nan 8.270 nan 0.000 0.475 414 T N 1.730 116.230 114.554 -0.090 0.000 2.824 414 T HA 0.495 4.847 4.350 0.004 0.000 0.282 414 T C -0.213 174.435 174.700 -0.087 0.000 0.993 414 T CA -0.641 61.402 62.100 -0.095 0.000 0.967 414 T CB 1.064 69.881 68.868 -0.084 0.000 0.960 414 T HN 0.379 nan 8.240 nan 0.000 0.441 415 I N 3.477 123.976 120.570 -0.119 0.000 2.306 415 I HA 0.229 4.401 4.170 0.004 0.000 0.288 415 I C 0.508 176.529 176.117 -0.160 0.000 1.036 415 I CA -0.663 60.539 61.300 -0.162 0.000 1.221 415 I CB 0.659 38.481 38.000 -0.297 0.000 1.385 415 I HN 0.430 nan 8.210 nan 0.000 0.472 416 E N 4.899 125.037 120.200 -0.102 0.000 2.313 416 E HA 0.245 4.597 4.350 0.004 0.000 0.276 416 E C 0.923 177.483 176.600 -0.068 0.000 1.031 416 E CA 0.003 56.357 56.400 -0.076 0.000 0.857 416 E CB 1.415 31.087 29.700 -0.048 0.000 1.040 416 E HN 0.886 nan 8.360 nan 0.000 0.408 417 G N 2.345 111.113 108.800 -0.052 0.000 2.198 417 G HA2 -0.331 3.631 3.960 0.004 0.000 0.257 417 G HA3 -0.331 3.631 3.960 0.004 0.000 0.257 417 G C 0.900 175.811 174.900 0.019 0.000 1.042 417 G CA 0.408 45.499 45.100 -0.015 0.000 0.791 417 G HN 0.613 nan 8.290 nan 0.000 0.502 418 A N -1.323 121.466 122.820 -0.053 0.000 2.067 418 A HA 0.668 4.990 4.320 0.004 0.000 0.219 418 A C 1.515 179.267 177.584 0.280 0.000 1.158 418 A CA 2.129 54.142 52.037 -0.040 0.000 0.661 418 A CB 0.024 18.813 19.000 -0.352 0.000 0.801 418 A HN 2.384 nan 8.150 nan 0.000 0.452 419 A N -1.812 121.110 122.820 0.171 0.000 2.610 419 A HA 0.605 4.927 4.320 0.004 0.000 0.291 419 A C 0.101 177.744 177.584 0.097 0.000 1.086 419 A CA -0.122 52.035 52.037 0.200 0.000 0.677 419 A CB 0.295 19.350 19.000 0.091 0.000 1.278 419 A HN 0.093 nan 8.150 nan 0.000 0.414 420 E N -0.094 120.161 120.200 0.091 0.000 2.140 420 E HA 0.295 4.647 4.350 0.004 0.000 0.191 420 E C 0.558 177.161 176.600 0.006 0.000 0.973 420 E CA 1.045 57.473 56.400 0.047 0.000 0.829 420 E CB 0.320 30.060 29.700 0.066 0.000 0.781 420 E HN 0.847 nan 8.360 nan 0.000 0.466 421 A N 1.240 124.052 122.820 -0.013 0.000 3.158 421 A HA 0.297 4.619 4.320 0.004 0.000 0.302 421 A C -0.766 176.759 177.584 -0.098 0.000 1.162 421 A CA -0.429 51.574 52.037 -0.057 0.000 0.824 421 A CB 1.020 20.008 19.000 -0.021 0.000 1.322 421 A HN 0.003 nan 8.150 nan 0.000 0.510 422 S N 0.942 116.577 115.700 -0.107 0.000 2.472 422 S HA 0.721 5.193 4.470 0.004 0.000 0.303 422 S C 0.177 174.671 174.600 -0.175 0.000 1.099 422 S CA -0.483 57.639 58.200 -0.130 0.000 1.077 422 S CB 0.760 63.911 63.200 -0.081 0.000 1.031 422 S HN 0.575 nan 8.310 nan 0.000 0.487 423 L N 3.671 124.760 121.223 -0.222 0.000 3.014 423 L HA 0.468 4.810 4.340 0.004 0.000 0.263 423 L C 0.233 177.009 176.870 -0.157 0.000 1.207 423 L CA 0.003 54.688 54.840 -0.258 0.000 1.017 423 L CB 0.332 42.093 42.059 -0.496 0.000 1.360 423 L HN 0.627 nan 8.230 nan 0.000 0.560 424 Q N 0.992 120.728 119.800 -0.107 0.000 2.280 424 Q HA 0.427 4.769 4.340 0.004 0.000 0.259 424 Q C -2.079 173.906 176.000 -0.025 0.000 0.964 424 Q CA -0.132 55.641 55.803 -0.050 0.000 0.844 424 Q CB 3.543 32.246 28.738 -0.058 0.000 1.334 424 Q HN -0.056 nan 8.270 nan 0.000 0.423 425 V N 3.651 123.561 119.914 -0.006 0.000 2.823 425 V HA 0.646 4.768 4.120 0.004 0.000 0.312 425 V C -1.624 174.467 176.094 -0.006 0.000 1.072 425 V CA -0.127 62.162 62.300 -0.018 0.000 0.937 425 V CB 2.366 34.147 31.823 -0.070 0.000 1.013 425 V HN 0.909 nan 8.190 nan 0.000 0.430 426 Q N 4.045 123.855 119.800 0.016 0.000 2.345 426 Q HA 0.499 4.841 4.340 0.004 0.000 0.275 426 Q C -1.698 174.363 176.000 0.102 0.000 1.063 426 Q CA -0.470 55.382 55.803 0.082 0.000 0.819 426 Q CB 2.986 31.798 28.738 0.124 0.000 1.356 426 Q HN 0.701 nan 8.270 nan 0.000 0.418 427 F N 0.802 120.837 119.950 0.143 0.000 2.382 427 F HA 0.118 4.647 4.527 0.004 0.000 0.331 427 F C 1.052 177.019 175.800 0.278 0.000 1.121 427 F CA -0.222 57.889 58.000 0.185 0.000 1.183 427 F CB 0.583 39.636 39.000 0.089 0.000 1.207 427 F HN 0.442 nan 8.300 nan 0.000 0.555 428 H N 3.456 122.842 119.070 0.527 0.000 2.964 428 H HA 0.078 4.636 4.556 0.003 0.000 0.328 428 H C -2.204 173.275 175.328 0.251 0.000 1.030 428 H CA -1.293 55.003 56.048 0.414 0.000 1.445 428 H CB 0.804 30.805 29.762 0.398 0.000 1.449 428 H HN 0.211 nan 8.280 nan 0.000 0.581 429 P HA -0.076 nan 4.420 nan 0.000 0.268 429 P C 0.611 178.040 177.300 0.214 0.000 1.205 429 P CA 0.166 63.347 63.100 0.136 0.000 0.771 429 P CB 0.754 32.466 31.700 0.019 0.000 0.858 430 V N -0.130 119.859 119.914 0.126 0.000 3.562 430 V HA 0.277 4.399 4.120 0.004 0.000 0.270 430 V C 1.824 177.952 176.094 0.056 0.000 1.418 430 V CA 1.216 63.576 62.300 0.101 0.000 1.033 430 V CB -0.571 31.299 31.823 0.079 0.000 0.820 430 V HN 0.519 nan 8.190 nan 0.000 0.441 431 G N 1.220 110.043 108.800 0.039 0.000 2.448 431 G HA2 0.315 4.277 3.960 0.004 0.000 0.219 431 G HA3 0.315 4.277 3.960 0.004 0.000 0.219 431 G C 1.145 176.060 174.900 0.025 0.000 1.127 431 G CA 0.993 46.107 45.100 0.023 0.000 0.766 431 G HN 1.647 nan 8.290 nan 0.000 0.552 432 G N 0.000 108.819 108.800 0.032 0.000 5.446 432 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 432 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 432 G CA 0.000 45.116 45.100 0.027 0.000 0.502 432 G HN 0.000 nan 8.290 nan 0.000 0.925