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 2eq9_1_J DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.225 176.300 -0.125 0.000 1.140 7 M CA 0.000 55.227 55.300 -0.122 0.000 0.988 7 M CB 0.000 32.546 32.600 -0.090 0.000 1.302 8 K N 2.826 123.126 120.400 -0.168 0.000 2.511 8 K HA 0.237 4.557 4.320 -0.000 0.000 0.280 8 K C 0.276 176.824 176.600 -0.087 0.000 1.008 8 K CA 0.852 57.047 56.287 -0.154 0.000 1.050 8 K CB 0.280 32.717 32.500 -0.104 0.000 0.889 8 K HN 0.681 nan 8.250 nan 0.000 0.484 9 T N 0.181 114.628 114.554 -0.177 0.000 2.893 9 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 9 T C -0.925 173.661 174.700 -0.190 0.000 1.027 9 T CA -0.902 61.170 62.100 -0.047 0.000 0.988 9 T CB 0.614 69.472 68.868 -0.016 0.000 1.043 9 T HN 0.349 nan 8.240 nan 0.000 0.461 10 Y N 0.100 120.441 120.300 0.068 0.000 2.686 10 Y HA 0.492 5.042 4.550 -0.000 0.000 0.330 10 Y C 1.103 177.030 175.900 0.045 0.000 1.082 10 Y CA -1.394 56.739 58.100 0.056 0.000 1.158 10 Y CB 0.913 39.410 38.460 0.062 0.000 1.333 10 Y HN 0.536 nan 8.280 nan 0.000 0.519 11 D N 0.026 120.558 120.400 0.220 0.000 2.137 11 D HA 0.031 4.671 4.640 -0.000 0.000 0.202 11 D C -0.420 175.955 176.300 0.124 0.000 0.970 11 D CA 1.424 55.503 54.000 0.132 0.000 0.837 11 D CB 0.323 41.181 40.800 0.097 0.000 0.981 11 D HN 0.251 nan 8.370 nan 0.000 0.475 12 L N -0.071 121.227 121.223 0.124 0.000 2.472 12 L HA 0.453 4.792 4.340 -0.000 0.000 0.260 12 L C -1.804 175.074 176.870 0.014 0.000 0.963 12 L CA -0.545 54.339 54.840 0.073 0.000 0.829 12 L CB 2.272 44.357 42.059 0.043 0.000 1.348 12 L HN -0.219 nan 8.230 nan 0.000 0.408 13 I N 4.986 125.554 120.570 -0.003 0.000 2.447 13 I HA 0.496 4.666 4.170 -0.000 0.000 0.287 13 I C -0.967 175.115 176.117 -0.057 0.000 1.023 13 I CA -0.917 60.333 61.300 -0.084 0.000 1.083 13 I CB 2.058 40.013 38.000 -0.076 0.000 1.245 13 I HN 0.284 nan 8.210 nan 0.000 0.434 14 V N 7.206 127.071 119.914 -0.082 0.000 2.398 14 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 14 V C 0.192 176.242 176.094 -0.074 0.000 1.026 14 V CA -0.494 61.775 62.300 -0.052 0.000 0.868 14 V CB 1.790 33.593 31.823 -0.034 0.000 0.982 14 V HN 0.485 nan 8.190 nan 0.000 0.443 15 I N 4.962 125.494 120.570 -0.063 0.000 2.287 15 I HA 0.661 4.830 4.170 -0.000 0.000 0.290 15 I C 0.762 176.844 176.117 -0.058 0.000 1.069 15 I CA 0.207 61.455 61.300 -0.086 0.000 1.237 15 I CB 0.753 38.688 38.000 -0.108 0.000 1.418 15 I HN 0.908 nan 8.210 nan 0.000 0.481 16 G N 3.283 112.055 108.800 -0.046 0.000 2.931 16 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.675 16 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.675 16 G C -0.134 174.779 174.900 0.022 0.000 1.339 16 G CA -0.368 44.725 45.100 -0.012 0.000 0.866 16 G HN 0.611 nan 8.290 nan 0.000 0.616 17 T N -0.134 114.451 114.554 0.051 0.000 3.293 17 T HA 0.636 4.986 4.350 -0.000 0.000 0.276 17 T C 1.228 176.071 174.700 0.237 0.000 1.003 17 T CA 0.896 63.071 62.100 0.124 0.000 0.916 17 T CB 0.650 69.558 68.868 0.066 0.000 1.134 17 T HN 1.641 nan 8.240 nan 0.000 0.530 18 G N 2.029 110.929 108.800 0.167 0.000 2.508 18 G HA2 0.481 4.441 3.960 -0.000 0.000 0.278 18 G HA3 0.481 4.441 3.960 -0.000 0.000 0.278 18 G C -1.576 173.400 174.900 0.126 0.000 1.389 18 G CA -1.623 43.584 45.100 0.180 0.000 1.050 18 G HN 0.038 nan 8.290 nan 0.000 0.522 19 P HA -0.158 nan 4.420 nan 0.000 0.214 19 P C 2.066 179.070 177.300 -0.494 0.000 1.169 19 P CA 2.241 65.089 63.100 -0.419 0.000 0.908 19 P CB -0.117 31.437 31.700 -0.243 0.000 0.791 20 G N -0.749 107.904 108.800 -0.244 0.000 2.480 20 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 20 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 20 G C 1.848 176.691 174.900 -0.096 0.000 1.200 20 G CA 1.102 46.105 45.100 -0.161 0.000 0.782 20 G HN 0.385 nan 8.290 nan 0.000 0.554 21 G N 0.529 109.303 108.800 -0.044 0.000 2.446 21 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 21 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 21 G C 1.718 176.657 174.900 0.065 0.000 1.168 21 G CA 1.397 46.506 45.100 0.014 0.000 0.771 21 G HN 0.710 nan 8.290 nan 0.000 0.551 22 Y N -0.638 119.695 120.300 0.054 0.000 2.583 22 Y HA 0.291 4.841 4.550 -0.000 0.000 0.293 22 Y C 2.198 178.127 175.900 0.047 0.000 1.157 22 Y CA 0.811 58.935 58.100 0.041 0.000 1.315 22 Y CB -0.516 37.964 38.460 0.033 0.000 1.021 22 Y HN 0.263 nan 8.280 nan 0.000 0.536 23 H N 0.264 119.177 119.070 -0.261 0.000 2.431 23 H HA 0.280 4.836 4.556 -0.000 0.000 0.295 23 H C 2.294 177.574 175.328 -0.079 0.000 1.038 23 H CA 1.216 57.151 56.048 -0.187 0.000 1.360 23 H CB -0.153 29.443 29.762 -0.277 0.000 1.433 23 H HN 0.424 nan 8.280 nan 0.000 0.536 24 A N 0.568 123.407 122.820 0.032 0.000 1.898 24 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 24 A C 2.441 180.017 177.584 -0.014 0.000 1.181 24 A CA 1.587 53.620 52.037 -0.007 0.000 0.620 24 A CB -0.945 18.044 19.000 -0.019 0.000 0.819 24 A HN 0.446 nan 8.150 nan 0.000 0.442 25 A N -0.306 122.520 122.820 0.009 0.000 1.929 25 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 25 A C 2.069 179.654 177.584 0.001 0.000 1.176 25 A CA 1.373 53.412 52.037 0.004 0.000 0.628 25 A CB -0.477 18.532 19.000 0.016 0.000 0.816 25 A HN 0.491 nan 8.150 nan 0.000 0.444 26 I N -1.305 119.268 120.570 0.005 0.000 2.406 26 I HA -0.121 4.049 4.170 -0.000 0.000 0.249 26 I C 2.598 178.695 176.117 -0.033 0.000 1.122 26 I CA 1.246 62.537 61.300 -0.016 0.000 1.431 26 I CB -0.174 37.809 38.000 -0.028 0.000 1.087 26 I HN 0.259 nan 8.210 nan 0.000 0.424 27 R N 2.038 122.512 120.500 -0.042 0.000 2.073 27 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 27 R C 2.188 178.470 176.300 -0.029 0.000 1.120 27 R CA 1.735 57.812 56.100 -0.038 0.000 0.967 27 R CB -0.780 29.498 30.300 -0.037 0.000 0.862 27 R HN 0.257 nan 8.270 nan 0.000 0.436 28 A N 0.289 123.091 122.820 -0.031 0.000 1.978 28 A HA -0.065 4.254 4.320 -0.000 0.000 0.220 28 A C 2.304 179.882 177.584 -0.010 0.000 1.170 28 A CA 1.867 53.887 52.037 -0.027 0.000 0.636 28 A CB -0.894 18.086 19.000 -0.032 0.000 0.810 28 A HN 0.498 nan 8.150 nan 0.000 0.448 29 A N -0.901 121.915 122.820 -0.007 0.000 1.898 29 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 29 A C 2.041 179.624 177.584 -0.001 0.000 1.183 29 A CA 1.239 53.277 52.037 0.002 0.000 0.622 29 A CB -0.460 18.542 19.000 0.002 0.000 0.824 29 A HN 0.609 nan 8.150 nan 0.000 0.444 30 Q N -0.334 119.460 119.800 -0.010 0.000 2.226 30 Q HA -0.007 4.333 4.340 -0.000 0.000 0.204 30 Q C 0.859 176.854 176.000 -0.007 0.000 0.975 30 Q CA 0.765 56.562 55.803 -0.011 0.000 0.866 30 Q CB -0.277 28.450 28.738 -0.019 0.000 0.915 30 Q HN 0.602 nan 8.270 nan 0.000 0.440 31 L N 0.065 121.284 121.223 -0.006 0.000 2.715 31 L HA 0.185 4.525 4.340 -0.000 0.000 0.238 31 L C 0.845 177.718 176.870 0.004 0.000 1.212 31 L CA 0.050 54.889 54.840 -0.003 0.000 1.017 31 L CB -0.410 41.645 42.059 -0.007 0.000 1.269 31 L HN 0.337 nan 8.230 nan 0.000 0.452 32 G N 0.103 108.907 108.800 0.006 0.000 2.168 32 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 32 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 32 G C 0.341 175.254 174.900 0.021 0.000 0.997 32 G CA 0.187 45.295 45.100 0.012 0.000 0.708 32 G HN 0.310 nan 8.290 nan 0.000 0.520 33 L N -0.886 120.351 121.223 0.023 0.000 2.469 33 L HA 0.523 4.863 4.340 -0.000 0.000 0.253 33 L C 0.880 177.784 176.870 0.056 0.000 1.143 33 L CA -0.704 54.159 54.840 0.037 0.000 0.804 33 L CB 1.011 43.090 42.059 0.033 0.000 1.214 33 L HN 0.124 nan 8.230 nan 0.000 0.476 34 K N 1.008 121.460 120.400 0.087 0.000 2.316 34 K HA 0.531 4.850 4.320 -0.000 0.000 0.267 34 K C -1.489 175.221 176.600 0.183 0.000 1.025 34 K CA -0.403 55.971 56.287 0.145 0.000 0.896 34 K CB 1.303 33.896 32.500 0.154 0.000 1.124 34 K HN 0.326 nan 8.250 nan 0.000 0.451 35 V N 4.718 124.709 119.914 0.128 0.000 2.715 35 V HA 0.485 4.605 4.120 -0.000 0.000 0.310 35 V C -0.982 175.006 176.094 -0.178 0.000 1.054 35 V CA -1.120 61.184 62.300 0.007 0.000 0.928 35 V CB 1.712 33.526 31.823 -0.015 0.000 1.007 35 V HN 0.674 nan 8.190 nan 0.000 0.437 36 L N 3.412 124.399 121.223 -0.393 0.000 2.376 36 L HA 0.883 5.223 4.340 -0.000 0.000 0.275 36 L C -0.044 176.626 176.870 -0.333 0.000 0.987 36 L CA -0.313 54.160 54.840 -0.610 0.000 0.828 36 L CB 1.273 42.643 42.059 -1.148 0.000 1.249 36 L HN 0.779 nan 8.230 nan 0.000 0.409 37 A N 5.348 128.023 122.820 -0.242 0.000 2.260 37 A HA 0.720 5.040 4.320 -0.000 0.000 0.314 37 A C -0.990 176.491 177.584 -0.171 0.000 1.257 37 A CA -0.511 51.433 52.037 -0.156 0.000 0.871 37 A CB 0.794 19.741 19.000 -0.087 0.000 1.166 37 A HN 0.521 nan 8.150 nan 0.000 0.522 38 V N 2.596 122.413 119.914 -0.162 0.000 2.347 38 V HA 0.487 4.607 4.120 -0.000 0.000 0.280 38 V C -0.229 175.808 176.094 -0.096 0.000 1.021 38 V CA -0.493 61.711 62.300 -0.160 0.000 0.847 38 V CB 1.045 32.748 31.823 -0.200 0.000 0.990 38 V HN 0.934 nan 8.190 nan 0.000 0.444 39 E N 3.879 124.039 120.200 -0.067 0.000 2.191 39 E HA 0.695 5.044 4.350 -0.000 0.000 0.263 39 E C 0.316 176.919 176.600 0.005 0.000 0.881 39 E CA -0.263 56.121 56.400 -0.026 0.000 0.757 39 E CB 1.843 31.530 29.700 -0.022 0.000 1.147 39 E HN 0.666 nan 8.360 nan 0.000 0.414 40 A N 3.231 126.080 122.820 0.048 0.000 2.275 40 A HA 0.490 4.809 4.320 -0.000 0.000 0.212 40 A C 0.923 178.548 177.584 0.068 0.000 1.201 40 A CA 0.823 52.925 52.037 0.110 0.000 0.843 40 A CB 0.057 19.230 19.000 0.289 0.000 0.873 40 A HN 0.616 nan 8.150 nan 0.000 0.492 41 G N -1.140 107.682 108.800 0.036 0.000 3.310 41 G HA2 0.468 4.427 3.960 -0.000 0.000 0.174 41 G HA3 0.468 4.427 3.960 -0.000 0.000 0.174 41 G C -0.986 173.913 174.900 -0.002 0.000 1.097 41 G CA -0.343 44.765 45.100 0.014 0.000 0.795 41 G HN 0.057 nan 8.290 nan 0.000 0.670 42 E N 0.299 120.493 120.200 -0.009 0.000 2.313 42 E HA 0.422 4.772 4.350 -0.000 0.000 0.272 42 E C -0.161 176.428 176.600 -0.019 0.000 1.038 42 E CA -0.426 55.962 56.400 -0.020 0.000 0.863 42 E CB 2.135 31.818 29.700 -0.028 0.000 1.060 42 E HN 0.119 nan 8.360 nan 0.000 0.402 43 V N 1.570 121.464 119.914 -0.034 0.000 2.572 43 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 43 V C 1.376 177.440 176.094 -0.050 0.000 1.039 43 V CA 1.259 63.532 62.300 -0.045 0.000 1.055 43 V CB 0.550 32.328 31.823 -0.075 0.000 0.969 43 V HN 1.003 nan 8.190 nan 0.000 0.482 44 G N 2.868 111.660 108.800 -0.014 0.000 2.284 44 G HA2 0.185 4.144 3.960 -0.000 0.000 0.201 44 G HA3 0.185 4.144 3.960 -0.000 0.000 0.201 44 G C 0.826 175.786 174.900 0.100 0.000 0.998 44 G CA 0.063 45.178 45.100 0.024 0.000 0.651 44 G HN 2.162 nan 8.290 nan 0.000 0.489 45 G N -1.203 107.632 108.800 0.059 0.000 2.645 45 G HA2 0.002 3.962 3.960 -0.000 0.000 0.239 45 G HA3 0.002 3.962 3.960 -0.000 0.000 0.239 45 G C 1.073 175.988 174.900 0.025 0.000 1.331 45 G CA 0.848 45.977 45.100 0.048 0.000 0.890 45 G HN 1.282 nan 8.290 nan 0.000 0.572 46 V N 0.121 120.045 119.914 0.017 0.000 2.220 46 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 46 V C 3.222 179.318 176.094 0.004 0.000 1.049 46 V CA 3.164 65.466 62.300 0.003 0.000 1.003 46 V CB -1.256 30.568 31.823 0.001 0.000 0.634 46 V HN 1.285 nan 8.190 nan 0.000 0.444 47 c N -0.040 118.569 118.600 0.015 0.000 2.336 47 c HA -0.270 4.299 4.570 -0.000 0.000 0.272 47 c C 2.575 176.667 174.090 0.002 0.000 1.160 47 c CA 2.088 58.425 56.329 0.014 0.000 1.783 47 c CB -1.205 41.322 42.510 0.029 0.000 2.050 47 c HN 0.555 nan 8.230 nan 0.000 0.443 48 L N 1.060 122.294 121.223 0.018 0.000 2.156 48 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 48 L C 2.410 179.257 176.870 -0.038 0.000 1.095 48 L CA 1.719 56.554 54.840 -0.009 0.000 0.770 48 L CB -0.838 41.225 42.059 0.007 0.000 0.914 48 L HN 0.481 nan 8.230 nan 0.000 0.439 49 N N -0.727 117.955 118.700 -0.030 0.000 2.349 49 N HA 0.030 4.770 4.740 -0.000 0.000 0.180 49 N C 1.208 176.690 175.510 -0.048 0.000 1.024 49 N CA 1.643 54.666 53.050 -0.044 0.000 0.869 49 N CB 0.620 39.086 38.487 -0.035 0.000 1.022 49 N HN 0.312 nan 8.380 nan 0.000 0.433 50 V N -3.278 116.613 119.914 -0.037 0.000 3.199 50 V HA 0.619 4.739 4.120 -0.000 0.000 0.331 50 V C 0.662 176.741 176.094 -0.025 0.000 1.446 50 V CA -0.083 62.194 62.300 -0.038 0.000 1.120 50 V CB 0.538 32.335 31.823 -0.044 0.000 1.051 50 V HN 0.134 nan 8.190 nan 0.000 0.495 51 G N -0.232 108.555 108.800 -0.021 0.000 3.244 51 G HA2 0.183 4.143 3.960 -0.000 0.000 0.197 51 G HA3 0.183 4.143 3.960 -0.000 0.000 0.197 51 G C 1.045 175.933 174.900 -0.019 0.000 1.531 51 G CA 0.706 45.802 45.100 -0.008 0.000 0.747 51 G HN 0.243 nan 8.290 nan 0.000 0.763 52 c N 0.958 119.546 118.600 -0.021 0.000 2.303 52 c HA -0.166 4.404 4.570 -0.000 0.000 0.273 52 c C 2.800 176.830 174.090 -0.101 0.000 1.154 52 c CA 0.893 57.187 56.329 -0.060 0.000 1.784 52 c CB -1.316 41.165 42.510 -0.048 0.000 1.993 52 c HN 0.426 nan 8.230 nan 0.000 0.430 53 I N 2.320 122.838 120.570 -0.088 0.000 2.076 53 I HA -0.120 4.049 4.170 -0.000 0.000 0.237 53 I C 0.187 176.230 176.117 -0.123 0.000 1.059 53 I CA 1.929 63.161 61.300 -0.113 0.000 1.317 53 I CB -2.987 34.950 38.000 -0.105 0.000 1.037 53 I HN 0.283 nan 8.210 nan 0.000 0.398 54 P HA -0.132 nan 4.420 nan 0.000 0.216 54 P C 1.666 178.935 177.300 -0.052 0.000 1.150 54 P CA 1.766 64.805 63.100 -0.102 0.000 0.837 54 P CB -0.261 31.392 31.700 -0.080 0.000 0.786 55 T N 0.185 114.720 114.554 -0.031 0.000 2.708 55 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 55 T C 1.888 176.595 174.700 0.011 0.000 1.037 55 T CA 1.669 63.774 62.100 0.009 0.000 1.146 55 T CB -0.440 68.441 68.868 0.022 0.000 0.865 55 T HN 0.086 nan 8.240 nan 0.000 0.435 56 K N 1.281 121.649 120.400 -0.053 0.000 2.097 56 K HA 0.132 4.452 4.320 -0.000 0.000 0.206 56 K C 2.314 178.954 176.600 0.066 0.000 1.049 56 K CA 1.042 57.297 56.287 -0.053 0.000 0.933 56 K CB -0.565 31.816 32.500 -0.198 0.000 0.717 56 K HN 0.310 nan 8.250 nan 0.000 0.442 57 A N 0.513 123.353 122.820 0.034 0.000 1.877 57 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 57 A C 2.092 179.882 177.584 0.344 0.000 1.186 57 A CA 1.350 53.471 52.037 0.141 0.000 0.620 57 A CB -0.661 18.190 19.000 -0.248 0.000 0.822 57 A HN 0.214 nan 8.150 nan 0.000 0.443 58 L N -0.728 120.606 121.223 0.185 0.000 2.046 58 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 58 L C 2.580 179.540 176.870 0.150 0.000 1.077 58 L CA 1.072 56.011 54.840 0.165 0.000 0.747 58 L CB -0.595 41.514 42.059 0.083 0.000 0.896 58 L HN 0.367 nan 8.230 nan 0.000 0.432 59 L N -0.971 120.340 121.223 0.147 0.000 2.042 59 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 59 L C 2.689 179.653 176.870 0.156 0.000 1.076 59 L CA 1.298 56.222 54.840 0.140 0.000 0.749 59 L CB -0.692 41.462 42.059 0.158 0.000 0.893 59 L HN 0.308 nan 8.230 nan 0.000 0.432 60 H N -0.003 119.149 119.070 0.137 0.000 2.321 60 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 60 H C 2.112 177.489 175.328 0.083 0.000 1.087 60 H CA 1.569 57.693 56.048 0.126 0.000 1.319 60 H CB 0.023 29.895 29.762 0.182 0.000 1.379 60 H HN 0.280 nan 8.280 nan 0.000 0.501 61 A N 0.908 123.737 122.820 0.015 0.000 1.877 61 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 61 A C 2.658 180.191 177.584 -0.086 0.000 1.186 61 A CA 1.940 53.916 52.037 -0.103 0.000 0.620 61 A CB -1.454 17.557 19.000 0.018 0.000 0.822 61 A HN 0.623 nan 8.150 nan 0.000 0.443 62 A N -0.188 122.625 122.820 -0.012 0.000 1.908 62 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 62 A C 1.987 179.584 177.584 0.022 0.000 1.181 62 A CA 2.301 54.342 52.037 0.007 0.000 0.627 62 A CB -0.519 18.494 19.000 0.022 0.000 0.818 62 A HN 0.589 nan 8.150 nan 0.000 0.445 63 E N -0.175 120.024 120.200 -0.001 0.000 2.077 63 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 63 E C 1.929 178.542 176.600 0.022 0.000 0.989 63 E CA 2.095 58.514 56.400 0.032 0.000 0.800 63 E CB -0.772 28.942 29.700 0.022 0.000 0.746 63 E HN 0.476 nan 8.360 nan 0.000 0.452 64 T N 1.081 115.556 114.554 -0.132 0.000 2.746 64 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 64 T C 1.676 176.367 174.700 -0.014 0.000 1.039 64 T CA 1.329 63.355 62.100 -0.124 0.000 1.142 64 T CB -0.400 68.300 68.868 -0.281 0.000 0.866 64 T HN 0.190 nan 8.240 nan 0.000 0.444 65 L N 0.737 121.950 121.223 -0.016 0.000 2.005 65 L HA -0.041 4.298 4.340 -0.000 0.000 0.207 65 L C 2.297 179.192 176.870 0.042 0.000 1.072 65 L CA 2.142 56.985 54.840 0.005 0.000 0.744 65 L CB -1.006 41.054 42.059 0.002 0.000 0.895 65 L HN 0.339 nan 8.230 nan 0.000 0.433 66 H N -1.610 117.462 119.070 0.003 0.000 2.353 66 H HA -0.273 4.283 4.556 -0.000 0.000 0.298 66 H C 2.268 177.616 175.328 0.033 0.000 1.103 66 H CA 2.230 58.289 56.048 0.017 0.000 1.293 66 H CB -0.245 29.538 29.762 0.035 0.000 1.372 66 H HN 0.643 nan 8.280 nan 0.000 0.501 67 H N -0.103 118.965 119.070 -0.004 0.000 2.489 67 H HA -0.076 4.480 4.556 -0.000 0.000 0.295 67 H C 2.101 177.343 175.328 -0.143 0.000 1.082 67 H CA 1.442 57.461 56.048 -0.049 0.000 1.295 67 H CB -0.285 29.503 29.762 0.043 0.000 1.380 67 H HN 0.404 nan 8.280 nan 0.000 0.548 68 L N -0.099 121.037 121.223 -0.145 0.000 2.187 68 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 68 L C 2.316 179.000 176.870 -0.310 0.000 1.100 68 L CA 1.421 56.136 54.840 -0.209 0.000 0.765 68 L CB -0.304 41.687 42.059 -0.114 0.000 0.904 68 L HN 0.309 nan 8.230 nan 0.000 0.437 69 K N -0.337 119.863 120.400 -0.334 0.000 2.026 69 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 69 K C 2.038 178.419 176.600 -0.365 0.000 1.048 69 K CA 1.252 57.345 56.287 -0.323 0.000 0.929 69 K CB -0.331 31.949 32.500 -0.366 0.000 0.713 69 K HN 0.060 nan 8.250 nan 0.000 0.439 70 V N 1.355 120.996 119.914 -0.454 0.000 2.427 70 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 70 V C 2.273 177.968 176.094 -0.664 0.000 1.051 70 V CA 1.852 63.877 62.300 -0.457 0.000 1.048 70 V CB -0.578 30.993 31.823 -0.420 0.000 0.666 70 V HN 0.374 nan 8.190 nan 0.000 0.456 71 A N -0.466 121.824 122.820 -0.883 0.000 2.024 71 A HA -0.272 4.047 4.320 -0.000 0.000 0.220 71 A C 2.109 179.026 177.584 -1.112 0.000 1.164 71 A CA 1.853 53.044 52.037 -1.410 0.000 0.643 71 A CB -0.491 18.032 19.000 -0.795 0.000 0.806 71 A HN 0.634 nan 8.150 nan 0.000 0.451 72 E N -0.758 119.095 120.200 -0.578 0.000 2.171 72 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 72 E C 2.034 178.449 176.600 -0.309 0.000 0.997 72 E CA 0.717 56.908 56.400 -0.349 0.000 0.810 72 E CB -0.364 29.196 29.700 -0.234 0.000 0.738 72 E HN 0.664 nan 8.360 nan 0.000 0.467 73 G N 1.151 109.732 108.800 -0.365 0.000 2.448 73 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 73 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 73 G C 0.902 175.760 174.900 -0.069 0.000 1.127 73 G CA 0.648 45.632 45.100 -0.194 0.000 0.766 73 G HN 0.339 nan 8.290 nan 0.000 0.552 74 F N -1.135 118.788 119.950 -0.046 0.000 2.923 74 F HA 0.600 5.127 4.527 -0.000 0.000 0.314 74 F C 1.211 176.996 175.800 -0.025 0.000 1.196 74 F CA -1.872 56.111 58.000 -0.027 0.000 1.320 74 F CB -0.030 38.960 39.000 -0.017 0.000 0.953 74 F HN 0.121 nan 8.300 nan 0.000 0.505 75 G N 0.889 109.741 108.800 0.087 0.000 2.179 75 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.260 75 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.260 75 G C -0.259 174.668 174.900 0.045 0.000 0.977 75 G CA 0.124 45.266 45.100 0.070 0.000 0.641 75 G HN 0.565 nan 8.290 nan 0.000 0.533 76 L N 1.548 122.772 121.223 0.003 0.000 2.363 76 L HA 0.691 5.031 4.340 -0.000 0.000 0.286 76 L C 0.563 177.385 176.870 -0.081 0.000 1.106 76 L CA 0.282 55.118 54.840 -0.006 0.000 0.859 76 L CB -0.303 41.774 42.059 0.030 0.000 1.223 76 L HN 0.548 nan 8.230 nan 0.000 0.446 77 K N 4.101 124.475 120.400 -0.043 0.000 2.213 77 K HA 0.937 5.256 4.320 -0.000 0.000 0.270 77 K C -0.443 176.133 176.600 -0.041 0.000 1.002 77 K CA 0.034 56.289 56.287 -0.053 0.000 0.868 77 K CB 1.252 33.729 32.500 -0.038 0.000 1.093 77 K HN 1.065 nan 8.250 nan 0.000 0.454 81 P HA 0.479 nan 4.420 nan 0.000 0.264 81 P C -0.263 177.022 177.300 -0.025 0.000 1.193 81 P CA 0.515 63.597 63.100 -0.031 0.000 0.763 81 P CB 1.139 32.817 31.700 -0.036 0.000 0.810 82 E N 2.824 123.010 120.200 -0.023 0.000 2.216 82 E HA 0.423 4.773 4.350 -0.000 0.000 0.260 82 E C -1.439 175.149 176.600 -0.021 0.000 0.880 82 E CA -0.881 55.508 56.400 -0.018 0.000 0.765 82 E CB 1.364 31.055 29.700 -0.014 0.000 1.174 82 E HN 0.544 nan 8.360 nan 0.000 0.417 83 L N 2.499 123.711 121.223 -0.019 0.000 2.265 83 L HA 0.403 4.743 4.340 -0.000 0.000 0.289 83 L C -0.456 176.406 176.870 -0.013 0.000 1.033 83 L CA -0.628 54.199 54.840 -0.022 0.000 0.814 83 L CB 1.789 43.834 42.059 -0.024 0.000 1.203 83 L HN 0.603 nan 8.230 nan 0.000 0.423 84 D N 4.828 125.220 120.400 -0.012 0.000 2.352 84 D HA 0.088 4.728 4.640 -0.000 0.000 0.245 84 D C 1.170 177.473 176.300 0.004 0.000 1.224 84 D CA 0.021 54.019 54.000 -0.002 0.000 0.879 84 D CB 0.846 41.645 40.800 -0.001 0.000 1.057 84 D HN 0.651 nan 8.370 nan 0.000 0.491 85 L N 3.364 124.590 121.223 0.004 0.000 2.083 85 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 85 L C 2.260 179.140 176.870 0.017 0.000 1.083 85 L CA 0.885 55.728 54.840 0.005 0.000 0.752 85 L CB -0.305 41.753 42.059 -0.001 0.000 0.899 85 L HN 0.289 nan 8.230 nan 0.000 0.433 86 K N 1.072 121.482 120.400 0.018 0.000 2.057 86 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 86 K C 2.074 178.696 176.600 0.036 0.000 1.049 86 K CA 1.552 57.851 56.287 0.021 0.000 0.931 86 K CB -0.102 32.409 32.500 0.017 0.000 0.714 86 K HN -0.022 nan 8.250 nan 0.000 0.440 87 K N -0.134 120.288 120.400 0.037 0.000 2.097 87 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 87 K C 1.910 178.571 176.600 0.101 0.000 1.049 87 K CA 1.195 57.515 56.287 0.055 0.000 0.933 87 K CB -0.343 32.175 32.500 0.029 0.000 0.717 87 K HN 0.151 nan 8.250 nan 0.000 0.442 88 L N 0.364 121.642 121.223 0.092 0.000 2.046 88 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 88 L C 2.084 179.069 176.870 0.193 0.000 1.077 88 L CA 2.362 57.299 54.840 0.162 0.000 0.747 88 L CB -1.174 40.945 42.059 0.099 0.000 0.896 88 L HN 0.282 nan 8.230 nan 0.000 0.432 89 G N -1.017 107.841 108.800 0.097 0.000 2.422 89 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 89 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 89 G C 1.516 176.451 174.900 0.059 0.000 1.146 89 G CA 0.607 45.741 45.100 0.056 0.000 0.769 89 G HN 0.610 nan 8.290 nan 0.000 0.547 90 G N -0.113 108.736 108.800 0.082 0.000 2.418 90 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 90 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 90 G C 1.587 176.555 174.900 0.113 0.000 1.158 90 G CA 0.972 46.118 45.100 0.076 0.000 0.771 90 G HN 0.478 nan 8.290 nan 0.000 0.545 91 W N 1.420 122.716 121.300 -0.007 0.000 2.363 91 W HA -0.000 4.660 4.660 -0.000 0.000 0.296 91 W C 2.663 179.179 176.519 -0.005 0.000 1.212 91 W CA 1.394 58.738 57.345 -0.002 0.000 1.260 91 W CB -0.197 29.267 29.460 0.007 0.000 1.131 91 W HN 0.114 nan 8.180 nan 0.000 0.530 92 R N 0.413 120.849 120.500 -0.107 0.000 2.083 92 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 92 R C 1.793 177.926 176.300 -0.278 0.000 1.137 92 R CA 2.247 58.164 56.100 -0.306 0.000 0.951 92 R CB -0.780 29.465 30.300 -0.093 0.000 0.851 92 R HN 0.104 nan 8.270 nan 0.000 0.434 93 D N 0.360 120.672 120.400 -0.147 0.000 2.144 93 D HA -0.174 4.465 4.640 -0.000 0.000 0.199 93 D C 2.007 178.222 176.300 -0.142 0.000 0.984 93 D CA 1.196 55.124 54.000 -0.120 0.000 0.834 93 D CB -0.195 40.566 40.800 -0.065 0.000 0.955 93 D HN 0.452 nan 8.370 nan 0.000 0.465 94 Q N 0.258 119.963 119.800 -0.158 0.000 2.079 94 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 94 Q C 2.467 178.342 176.000 -0.208 0.000 0.974 94 Q CA 0.796 56.514 55.803 -0.141 0.000 0.840 94 Q CB 0.035 28.725 28.738 -0.079 0.000 0.898 94 Q HN 0.143 nan 8.270 nan 0.000 0.430 95 V N 0.277 119.965 119.914 -0.377 0.000 2.295 95 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 95 V C 2.255 178.206 176.094 -0.237 0.000 1.049 95 V CA 1.496 63.574 62.300 -0.370 0.000 1.024 95 V CB -0.525 30.933 31.823 -0.608 0.000 0.648 95 V HN 0.189 nan 8.190 nan 0.000 0.447 96 V N -0.007 119.772 119.914 -0.224 0.000 2.287 96 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 96 V C 2.447 178.470 176.094 -0.118 0.000 1.053 96 V CA 2.541 64.749 62.300 -0.153 0.000 1.027 96 V CB -0.700 31.043 31.823 -0.133 0.000 0.646 96 V HN 0.573 nan 8.190 nan 0.000 0.447 97 K N -0.095 120.238 120.400 -0.111 0.000 2.032 97 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 97 K C 2.418 178.969 176.600 -0.083 0.000 1.048 97 K CA 1.556 57.792 56.287 -0.085 0.000 0.927 97 K CB -0.193 32.264 32.500 -0.072 0.000 0.712 97 K HN 0.167 nan 8.250 nan 0.000 0.441 98 K N 1.123 121.469 120.400 -0.089 0.000 2.044 98 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 98 K C 2.145 178.697 176.600 -0.080 0.000 1.049 98 K CA 1.562 57.803 56.287 -0.076 0.000 0.927 98 K CB -0.398 32.057 32.500 -0.076 0.000 0.713 98 K HN 0.247 nan 8.250 nan 0.000 0.443 99 L N 0.513 121.681 121.223 -0.091 0.000 2.072 99 L HA -0.153 4.186 4.340 -0.000 0.000 0.205 99 L C 2.556 179.362 176.870 -0.106 0.000 1.079 99 L CA 1.754 56.541 54.840 -0.089 0.000 0.752 99 L CB -0.899 41.110 42.059 -0.082 0.000 0.906 99 L HN 0.307 nan 8.230 nan 0.000 0.436 100 T N -2.796 111.697 114.554 -0.101 0.000 2.746 100 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 100 T C 1.961 176.592 174.700 -0.116 0.000 1.039 100 T CA 1.069 63.103 62.100 -0.109 0.000 1.142 100 T CB -1.038 67.779 68.868 -0.085 0.000 0.866 100 T HN 0.385 nan 8.240 nan 0.000 0.444 101 G N 1.444 110.188 108.800 -0.094 0.000 2.418 101 G HA2 0.061 4.020 3.960 -0.000 0.000 0.217 101 G HA3 0.061 4.020 3.960 -0.000 0.000 0.217 101 G C 1.768 176.609 174.900 -0.098 0.000 1.158 101 G CA 0.708 45.758 45.100 -0.084 0.000 0.771 101 G HN 0.665 nan 8.290 nan 0.000 0.545 102 G N 0.472 109.211 108.800 -0.102 0.000 2.513 102 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 102 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 102 G C 1.790 176.597 174.900 -0.155 0.000 1.160 102 G CA 1.394 46.430 45.100 -0.107 0.000 0.767 102 G HN 0.346 nan 8.290 nan 0.000 0.571 103 V N 1.491 121.267 119.914 -0.231 0.000 2.307 103 V HA -0.052 4.067 4.120 -0.000 0.000 0.245 103 V C 3.182 179.132 176.094 -0.241 0.000 1.045 103 V CA 2.018 64.097 62.300 -0.368 0.000 1.024 103 V CB -1.140 30.326 31.823 -0.595 0.000 0.651 103 V HN 0.462 nan 8.190 nan 0.000 0.449 104 G N -0.306 108.390 108.800 -0.173 0.000 2.529 104 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 104 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 104 G C 1.688 176.532 174.900 -0.093 0.000 1.177 104 G CA 1.854 46.885 45.100 -0.115 0.000 0.773 104 G HN 0.463 nan 8.290 nan 0.000 0.573 105 T N 1.489 115.991 114.554 -0.087 0.000 2.622 105 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 105 T C 2.450 177.111 174.700 -0.065 0.000 1.047 105 T CA 1.291 63.352 62.100 -0.066 0.000 1.159 105 T CB -0.382 68.450 68.868 -0.060 0.000 0.863 105 T HN 0.183 nan 8.240 nan 0.000 0.422 106 L N 0.602 121.775 121.223 -0.083 0.000 2.081 106 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 106 L C 2.514 179.348 176.870 -0.059 0.000 1.080 106 L CA 1.200 55.997 54.840 -0.072 0.000 0.754 106 L CB -0.788 41.217 42.059 -0.090 0.000 0.893 106 L HN 0.273 nan 8.230 nan 0.000 0.433 107 L N -0.650 120.530 121.223 -0.073 0.000 2.191 107 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 107 L C 2.564 179.415 176.870 -0.033 0.000 1.103 107 L CA 0.939 55.750 54.840 -0.048 0.000 0.769 107 L CB -0.302 41.722 42.059 -0.058 0.000 0.908 107 L HN 0.175 nan 8.230 nan 0.000 0.438 108 K N 0.282 120.661 120.400 -0.035 0.000 2.067 108 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 108 K C 1.977 178.568 176.600 -0.015 0.000 1.048 108 K CA 1.031 57.305 56.287 -0.021 0.000 0.954 108 K CB -0.730 31.756 32.500 -0.023 0.000 0.737 108 K HN 0.169 nan 8.250 nan 0.000 0.444 109 G N 0.544 109.331 108.800 -0.022 0.000 2.535 109 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 109 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 109 G C 1.015 175.907 174.900 -0.013 0.000 1.122 109 G CA 0.636 45.726 45.100 -0.017 0.000 0.769 109 G HN 0.239 nan 8.290 nan 0.000 0.549 110 N N 0.356 119.048 118.700 -0.013 0.000 2.235 110 N HA 0.117 4.856 4.740 -0.000 0.000 0.209 110 N C 1.510 177.022 175.510 0.003 0.000 1.122 110 N CA 0.652 53.697 53.050 -0.008 0.000 0.845 110 N CB 0.589 39.068 38.487 -0.013 0.000 1.004 110 N HN 0.307 nan 8.380 nan 0.000 0.499 111 G N 0.695 109.499 108.800 0.007 0.000 2.198 111 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.260 111 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.260 111 G C 0.019 174.939 174.900 0.032 0.000 1.025 111 G CA 0.225 45.338 45.100 0.022 0.000 0.769 111 G HN 0.185 nan 8.290 nan 0.000 0.507 112 V N 0.194 120.116 119.914 0.014 0.000 2.465 112 V HA 0.433 4.552 4.120 -0.000 0.000 0.279 112 V C 0.668 176.760 176.094 -0.002 0.000 1.045 112 V CA -0.491 61.811 62.300 0.003 0.000 0.938 112 V CB 1.833 33.646 31.823 -0.016 0.000 0.986 112 V HN 0.430 nan 8.190 nan 0.000 0.467 113 E N 3.430 123.625 120.200 -0.008 0.000 2.200 113 E HA 0.379 4.728 4.350 -0.000 0.000 0.283 113 E C -1.160 175.388 176.600 -0.086 0.000 1.015 113 E CA -0.810 55.586 56.400 -0.006 0.000 0.819 113 E CB 1.431 31.187 29.700 0.093 0.000 1.081 113 E HN 0.525 nan 8.360 nan 0.000 0.397 114 L N 6.190 127.376 121.223 -0.061 0.000 2.265 114 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 114 L C -1.402 175.415 176.870 -0.090 0.000 1.058 114 L CA -0.460 54.330 54.840 -0.083 0.000 0.809 114 L CB 1.140 43.164 42.059 -0.058 0.000 1.179 114 L HN 0.520 nan 8.230 nan 0.000 0.429 115 L N 5.907 127.045 121.223 -0.143 0.000 2.295 115 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 115 L C -0.527 176.276 176.870 -0.111 0.000 1.018 115 L CA -0.374 54.374 54.840 -0.154 0.000 0.841 115 L CB 0.435 42.299 42.059 -0.325 0.000 1.218 115 L HN 0.487 nan 8.230 nan 0.000 0.424 116 R N 4.534 125.000 120.500 -0.057 0.000 2.345 116 R HA 0.696 5.036 4.340 -0.000 0.000 0.331 116 R C 0.198 176.492 176.300 -0.011 0.000 1.067 116 R CA 0.050 56.133 56.100 -0.029 0.000 0.962 116 R CB 0.010 30.302 30.300 -0.013 0.000 0.987 116 R HN 0.877 nan 8.270 nan 0.000 0.451 117 G N 1.298 110.098 108.800 0.000 0.000 2.328 117 G HA2 0.192 4.152 3.960 -0.000 0.000 0.295 117 G HA3 0.192 4.152 3.960 -0.000 0.000 0.295 117 G C -1.846 173.111 174.900 0.094 0.000 1.413 117 G CA -0.885 44.243 45.100 0.047 0.000 0.817 117 G HN 0.315 nan 8.290 nan 0.000 0.546 118 F N 2.667 122.603 119.950 -0.024 0.000 2.499 118 F HA 0.644 5.171 4.527 -0.000 0.000 0.353 118 F C 0.909 176.698 175.800 -0.017 0.000 1.196 118 F CA -0.553 57.434 58.000 -0.021 0.000 1.244 118 F CB 0.021 39.014 39.000 -0.012 0.000 1.577 118 F HN 0.725 nan 8.300 nan 0.000 0.614 119 A N 6.328 128.961 122.820 -0.312 0.000 2.546 119 A HA 0.364 4.684 4.320 -0.000 0.000 0.243 119 A C 0.251 177.571 177.584 -0.440 0.000 1.063 119 A CA -0.014 51.849 52.037 -0.290 0.000 0.757 119 A CB 0.171 19.028 19.000 -0.238 0.000 0.991 119 A HN 0.841 nan 8.150 nan 0.000 0.503 120 R N 0.787 121.152 120.500 -0.225 0.000 2.832 120 R HA 0.585 4.925 4.340 -0.000 0.000 0.271 120 R C -1.248 174.998 176.300 -0.090 0.000 0.996 120 R CA -1.000 54.996 56.100 -0.172 0.000 0.977 120 R CB 1.418 31.695 30.300 -0.037 0.000 1.168 120 R HN 0.552 nan 8.270 nan 0.000 0.482 121 L N 2.355 123.539 121.223 -0.066 0.000 2.255 121 L HA 0.242 4.582 4.340 -0.000 0.000 0.289 121 L C -0.159 176.706 176.870 -0.007 0.000 1.046 121 L CA 0.189 55.008 54.840 -0.035 0.000 0.816 121 L CB 1.298 43.334 42.059 -0.037 0.000 1.197 121 L HN 0.548 nan 8.230 nan 0.000 0.427 122 V N 3.554 123.471 119.914 0.005 0.000 3.608 122 V HA 0.494 4.614 4.120 -0.000 0.000 0.203 122 V C 1.002 177.103 176.094 0.012 0.000 1.154 122 V CA 0.426 62.735 62.300 0.014 0.000 1.386 122 V CB -0.557 31.280 31.823 0.024 0.000 1.486 122 V HN 0.748 nan 8.190 nan 0.000 0.491 123 G N 0.231 109.042 108.800 0.019 0.000 2.415 123 G HA2 0.373 4.333 3.960 -0.000 0.000 0.269 123 G HA3 0.373 4.333 3.960 -0.000 0.000 0.269 123 G C -2.022 172.887 174.900 0.015 0.000 1.209 123 G CA -0.709 44.401 45.100 0.017 0.000 0.835 123 G HN 0.326 nan 8.290 nan 0.000 0.534 124 P HA -0.091 nan 4.420 nan 0.000 0.223 124 P C 1.021 178.329 177.300 0.013 0.000 1.140 124 P CA 1.179 64.281 63.100 0.003 0.000 0.783 124 P CB 0.292 31.989 31.700 -0.004 0.000 0.759 125 K N -1.467 118.949 120.400 0.026 0.000 2.562 125 K HA 0.237 4.556 4.320 -0.000 0.000 0.201 125 K C -0.056 176.581 176.600 0.061 0.000 1.131 125 K CA 0.044 56.357 56.287 0.044 0.000 1.059 125 K CB 1.113 33.639 32.500 0.044 0.000 0.913 125 K HN 0.220 nan 8.250 nan 0.000 0.563 126 E N 0.869 121.102 120.200 0.054 0.000 2.275 126 E HA 0.395 4.745 4.350 -0.000 0.000 0.270 126 E C -1.357 175.284 176.600 0.067 0.000 0.882 126 E CA -0.611 55.833 56.400 0.073 0.000 0.758 126 E CB 1.990 31.723 29.700 0.055 0.000 1.195 126 E HN -0.232 nan 8.360 nan 0.000 0.419 127 V N 3.051 123.026 119.914 0.102 0.000 2.680 127 V HA 0.322 4.442 4.120 -0.000 0.000 0.309 127 V C -0.589 175.580 176.094 0.125 0.000 1.052 127 V CA -0.837 61.507 62.300 0.073 0.000 0.908 127 V CB 1.829 33.666 31.823 0.023 0.000 1.001 127 V HN 0.701 nan 8.190 nan 0.000 0.431 128 E N 3.301 123.545 120.200 0.074 0.000 2.055 128 E HA 0.563 4.913 4.350 -0.000 0.000 0.274 128 E C -0.898 175.751 176.600 0.082 0.000 0.949 128 E CA -0.093 56.366 56.400 0.098 0.000 0.775 128 E CB 1.193 30.932 29.700 0.066 0.000 1.097 128 E HN 0.422 nan 8.360 nan 0.000 0.404 135 G N 1.061 109.913 108.800 0.088 0.000 4.794 135 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.275 135 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.275 135 G C 0.179 175.119 174.900 0.067 0.000 1.648 135 G CA 0.023 45.163 45.100 0.068 0.000 1.154 135 G HN 0.756 nan 8.290 nan 0.000 0.680 136 E N 2.783 123.033 120.200 0.084 0.000 2.729 136 E HA 0.134 4.483 4.350 -0.000 0.000 0.246 136 E C 0.726 177.330 176.600 0.007 0.000 0.984 136 E CA 0.416 56.822 56.400 0.011 0.000 0.951 136 E CB 0.256 29.993 29.700 0.061 0.000 0.914 136 E HN 0.330 nan 8.360 nan 0.000 0.509 137 R N 2.642 123.073 120.500 -0.116 0.000 2.441 137 R HA 0.309 4.649 4.340 -0.000 0.000 0.284 137 R C -0.388 175.781 176.300 -0.217 0.000 1.070 137 R CA -0.361 55.714 56.100 -0.042 0.000 1.047 137 R CB 0.326 30.609 30.300 -0.029 0.000 1.016 137 R HN 0.380 nan 8.270 nan 0.000 0.477 138 Y N -1.054 119.280 120.300 0.056 0.000 2.462 138 Y HA 0.584 5.134 4.550 -0.000 0.000 0.346 138 Y C 0.769 176.723 175.900 0.090 0.000 0.976 138 Y CA -0.777 57.382 58.100 0.099 0.000 1.044 138 Y CB 2.631 41.151 38.460 0.101 0.000 1.230 138 Y HN 0.705 nan 8.280 nan 0.000 0.455 139 G N 0.489 109.442 108.800 0.255 0.000 2.563 139 G HA2 0.836 4.796 3.960 -0.000 0.000 0.302 139 G HA3 0.836 4.796 3.960 -0.000 0.000 0.302 139 G C -1.732 173.294 174.900 0.209 0.000 1.301 139 G CA -0.730 44.475 45.100 0.175 0.000 0.965 139 G HN 0.863 nan 8.290 nan 0.000 0.480 140 A N 0.908 123.819 122.820 0.152 0.000 2.610 140 A HA 0.715 5.035 4.320 -0.000 0.000 0.291 140 A C 0.619 178.266 177.584 0.105 0.000 1.086 140 A CA -0.484 51.644 52.037 0.152 0.000 0.677 140 A CB 1.212 20.317 19.000 0.175 0.000 1.278 140 A HN 0.511 nan 8.150 nan 0.000 0.414 141 K N 0.470 120.930 120.400 0.100 0.000 2.020 141 K HA 0.012 4.332 4.320 -0.000 0.000 0.212 141 K C 0.572 177.228 176.600 0.093 0.000 1.050 141 K CA 2.373 58.711 56.287 0.084 0.000 0.929 141 K CB -0.174 32.375 32.500 0.082 0.000 0.714 141 K HN 0.582 nan 8.250 nan 0.000 0.443 142 S N -1.008 114.763 115.700 0.117 0.000 2.599 142 S HA 0.623 5.093 4.470 -0.000 0.000 0.287 142 S C -1.012 173.671 174.600 0.139 0.000 1.105 142 S CA -0.925 57.368 58.200 0.155 0.000 0.899 142 S CB 1.829 65.200 63.200 0.286 0.000 1.100 142 S HN 0.030 nan 8.310 nan 0.000 0.482 143 L N 1.957 123.268 121.223 0.146 0.000 2.385 143 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 143 L C -1.269 175.700 176.870 0.165 0.000 0.990 143 L CA -0.535 54.369 54.840 0.107 0.000 0.821 143 L CB 1.570 43.659 42.059 0.049 0.000 1.279 143 L HN 0.522 nan 8.230 nan 0.000 0.412 144 I N 4.345 124.986 120.570 0.118 0.000 2.382 144 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 144 I C -0.442 175.706 176.117 0.053 0.000 1.002 144 I CA -0.480 60.895 61.300 0.125 0.000 1.135 144 I CB 1.683 39.727 38.000 0.073 0.000 1.288 144 I HN 0.371 nan 8.210 nan 0.000 0.448 145 L N 6.682 127.936 121.223 0.052 0.000 2.283 145 L HA 0.487 4.827 4.340 -0.000 0.000 0.287 145 L C 0.560 177.437 176.870 0.012 0.000 1.073 145 L CA -0.134 54.713 54.840 0.012 0.000 0.822 145 L CB 0.860 42.922 42.059 0.005 0.000 1.186 145 L HN 0.716 nan 8.230 nan 0.000 0.436 146 A N 1.371 124.188 122.820 -0.006 0.000 3.297 146 A HA 0.290 4.610 4.320 -0.000 0.000 0.304 146 A C 0.861 178.438 177.584 -0.013 0.000 0.963 146 A CA -0.292 51.742 52.037 -0.005 0.000 0.935 146 A CB -0.027 18.970 19.000 -0.004 0.000 1.093 146 A HN 0.723 nan 8.150 nan 0.000 0.480 147 T N -2.424 112.119 114.554 -0.019 0.000 3.169 147 T HA 0.426 4.775 4.350 -0.000 0.000 0.250 147 T C 1.324 176.017 174.700 -0.012 0.000 1.111 147 T CA 1.018 63.105 62.100 -0.021 0.000 1.010 147 T CB -0.459 68.389 68.868 -0.033 0.000 0.984 147 T HN 1.998 nan 8.240 nan 0.000 0.537 148 G N 1.831 110.625 108.800 -0.011 0.000 2.581 148 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.291 148 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.291 148 G C 0.062 174.948 174.900 -0.025 0.000 1.277 148 G CA 0.457 45.552 45.100 -0.009 0.000 0.959 148 G HN 1.655 nan 8.290 nan 0.000 0.554 149 S N -0.946 114.743 115.700 -0.019 0.000 2.794 149 S HA 0.836 5.306 4.470 -0.000 0.000 0.299 149 S C -0.656 173.930 174.600 -0.023 0.000 1.179 149 S CA 0.389 58.569 58.200 -0.034 0.000 0.838 149 S CB 2.440 65.629 63.200 -0.020 0.000 1.206 149 S HN 1.805 nan 8.310 nan 0.000 0.523 150 E N -0.980 119.205 120.200 -0.025 0.000 2.449 150 E HA 0.582 4.932 4.350 -0.000 0.000 0.278 150 E C -3.408 173.188 176.600 -0.007 0.000 0.992 150 E CA -2.553 53.833 56.400 -0.023 0.000 0.807 150 E CB 0.981 30.665 29.700 -0.027 0.000 1.350 150 E HN 0.293 nan 8.360 nan 0.000 0.462 151 P HA 0.003 nan 4.420 nan 0.000 0.264 151 P C -0.750 176.625 177.300 0.125 0.000 1.193 151 P CA -0.274 62.846 63.100 0.033 0.000 0.763 151 P CB 0.241 31.894 31.700 -0.079 0.000 0.810 152 L N 3.641 124.952 121.223 0.145 0.000 2.367 152 L HA 0.182 4.522 4.340 -0.000 0.000 0.275 152 L C 0.560 177.569 176.870 0.231 0.000 1.129 152 L CA -0.031 54.895 54.840 0.143 0.000 0.839 152 L CB -0.069 42.043 42.059 0.088 0.000 1.133 152 L HN 0.336 nan 8.230 nan 0.000 0.453 153 E N 3.116 123.436 120.200 0.201 0.000 2.349 153 E HA 0.394 4.744 4.350 -0.000 0.000 0.265 153 E C -1.415 175.188 176.600 0.006 0.000 1.064 153 E CA -0.622 55.858 56.400 0.134 0.000 0.886 153 E CB 1.110 30.895 29.700 0.141 0.000 1.036 153 E HN 0.557 nan 8.360 nan 0.000 0.413 154 L N 4.119 125.282 121.223 -0.099 0.000 2.325 154 L HA 0.315 4.655 4.340 -0.000 0.000 0.281 154 L C -0.680 176.222 176.870 0.054 0.000 1.004 154 L CA -0.468 54.364 54.840 -0.013 0.000 0.823 154 L CB 1.217 43.257 42.059 -0.032 0.000 1.236 154 L HN 0.507 nan 8.230 nan 0.000 0.415 155 K N 4.277 124.715 120.400 0.064 0.000 2.491 155 K HA 0.291 4.611 4.320 -0.000 0.000 0.279 155 K C 1.007 177.666 176.600 0.099 0.000 1.026 155 K CA 1.282 57.604 56.287 0.058 0.000 1.070 155 K CB 0.050 32.578 32.500 0.046 0.000 0.887 155 K HN 0.977 nan 8.250 nan 0.000 0.481 156 G N 3.737 112.539 108.800 0.003 0.000 2.241 156 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 156 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 156 G C 0.038 174.727 174.900 -0.353 0.000 0.998 156 G CA 0.147 45.155 45.100 -0.153 0.000 0.621 156 G HN 0.585 nan 8.290 nan 0.000 0.519 157 F N 3.009 122.961 119.950 0.002 0.000 2.523 157 F HA 0.385 4.912 4.527 -0.000 0.000 0.322 157 F C -1.933 173.749 175.800 -0.197 0.000 1.361 157 F CA -1.803 56.173 58.000 -0.040 0.000 1.151 157 F CB 1.626 40.531 39.000 -0.158 0.000 1.391 157 F HN -0.079 nan 8.300 nan 0.000 0.566 158 P HA -0.003 nan 4.420 nan 0.000 0.268 158 P C -0.246 177.030 177.300 -0.040 0.000 1.204 158 P CA -0.011 63.055 63.100 -0.057 0.000 0.768 158 P CB 0.717 32.432 31.700 0.026 0.000 0.842 159 F N 1.974 121.995 119.950 0.119 0.000 2.607 159 F HA 0.403 4.930 4.527 -0.000 0.000 0.374 159 F C 1.689 177.560 175.800 0.118 0.000 1.104 159 F CA 1.682 59.753 58.000 0.118 0.000 1.296 159 F CB -0.080 38.979 39.000 0.099 0.000 1.085 159 F HN 0.540 nan 8.300 nan 0.000 0.584 160 G N 2.144 111.148 108.800 0.340 0.000 2.570 160 G HA2 0.166 4.125 3.960 -0.000 0.000 0.310 160 G HA3 0.166 4.125 3.960 -0.000 0.000 0.310 160 G C 0.113 175.175 174.900 0.269 0.000 1.266 160 G CA -0.541 44.706 45.100 0.245 0.000 0.825 160 G HN 0.284 nan 8.290 nan 0.000 0.483 161 E N 0.111 120.439 120.200 0.213 0.000 2.160 161 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 161 E C 1.105 177.872 176.600 0.278 0.000 0.991 161 E CA 1.347 57.891 56.400 0.239 0.000 0.810 161 E CB 0.127 29.927 29.700 0.167 0.000 0.742 161 E HN 0.454 nan 8.360 nan 0.000 0.466 162 D N -0.509 119.977 120.400 0.144 0.000 2.407 162 D HA 0.046 4.685 4.640 -0.000 0.000 0.208 162 D C -0.090 176.077 176.300 -0.222 0.000 1.083 162 D CA 0.136 54.110 54.000 -0.044 0.000 0.844 162 D CB 1.328 42.106 40.800 -0.037 0.000 0.967 162 D HN -0.093 nan 8.370 nan 0.000 0.506 163 V N 2.561 122.470 119.914 -0.008 0.000 2.325 163 V HA 0.207 4.327 4.120 -0.000 0.000 0.280 163 V C -0.504 175.821 176.094 0.386 0.000 1.016 163 V CA -0.945 61.360 62.300 0.008 0.000 0.818 163 V CB 1.109 32.938 31.823 0.010 0.000 1.019 163 V HN -0.004 nan 8.190 nan 0.000 0.434 164 W N 2.821 124.218 121.300 0.162 0.000 2.359 164 W HA 0.587 5.247 4.660 -0.000 0.000 0.344 164 W C 0.253 176.937 176.519 0.276 0.000 1.170 164 W CA -1.125 56.327 57.345 0.179 0.000 1.296 164 W CB 0.752 30.234 29.460 0.037 0.000 1.197 164 W HN 0.668 nan 8.180 nan 0.000 0.618 165 D N -1.455 119.100 120.400 0.257 0.000 2.449 165 D HA 0.203 4.842 4.640 -0.000 0.000 0.250 165 D C 1.077 177.409 176.300 0.053 0.000 1.050 165 D CA -0.499 53.513 54.000 0.020 0.000 1.024 165 D CB 0.550 40.988 40.800 -0.604 0.000 1.218 165 D HN 0.221 nan 8.370 nan 0.000 0.566 166 S N -0.239 115.482 115.700 0.034 0.000 2.387 166 S HA -0.240 4.230 4.470 -0.000 0.000 0.230 166 S C 1.708 176.306 174.600 -0.002 0.000 1.035 166 S CA 1.793 60.019 58.200 0.042 0.000 1.014 166 S CB -1.173 62.048 63.200 0.037 0.000 0.836 166 S HN 0.610 nan 8.310 nan 0.000 0.466 167 T N 2.059 116.577 114.554 -0.060 0.000 2.708 167 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 167 T C 1.951 176.578 174.700 -0.121 0.000 1.037 167 T CA 1.720 63.769 62.100 -0.086 0.000 1.146 167 T CB -0.351 68.451 68.868 -0.110 0.000 0.865 167 T HN 0.468 nan 8.240 nan 0.000 0.435 168 R N 1.917 122.317 120.500 -0.166 0.000 2.081 168 R HA 0.138 4.478 4.340 -0.000 0.000 0.235 168 R C 2.300 178.349 176.300 -0.419 0.000 1.131 168 R CA 1.727 57.629 56.100 -0.330 0.000 0.960 168 R CB -1.043 29.007 30.300 -0.416 0.000 0.856 168 R HN 0.316 nan 8.270 nan 0.000 0.436 169 A N 0.459 123.179 122.820 -0.167 0.000 2.070 169 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 169 A C 2.166 179.831 177.584 0.134 0.000 1.159 169 A CA 1.292 53.353 52.037 0.040 0.000 0.656 169 A CB -0.578 18.572 19.000 0.251 0.000 0.800 169 A HN 0.385 nan 8.150 nan 0.000 0.453 170 L N -0.839 120.397 121.223 0.021 0.000 2.141 170 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 170 L C 0.862 177.718 176.870 -0.023 0.000 1.094 170 L CA 0.968 55.820 54.840 0.020 0.000 0.763 170 L CB -0.264 41.783 42.059 -0.019 0.000 0.908 170 L HN 0.250 nan 8.230 nan 0.000 0.437 171 K N 0.852 121.198 120.400 -0.091 0.000 2.480 171 K HA 0.037 4.357 4.320 -0.000 0.000 0.241 171 K C 1.420 177.970 176.600 -0.083 0.000 1.261 171 K CA -0.212 56.014 56.287 -0.102 0.000 1.193 171 K CB 0.246 32.655 32.500 -0.151 0.000 1.598 171 K HN 0.144 nan 8.250 nan 0.000 0.278 172 V N -0.855 119.031 119.914 -0.047 0.000 2.568 172 V HA -0.214 3.906 4.120 -0.000 0.000 0.253 172 V C 1.303 177.384 176.094 -0.021 0.000 1.072 172 V CA 1.199 63.467 62.300 -0.054 0.000 1.084 172 V CB -0.615 31.115 31.823 -0.155 0.000 0.676 172 V HN 0.587 nan 8.190 nan 0.000 0.469 173 E N 2.649 122.836 120.200 -0.022 0.000 3.057 173 E HA 0.158 4.508 4.350 -0.000 0.000 0.314 173 E C 0.501 177.101 176.600 0.001 0.000 1.433 173 E CA 0.569 56.966 56.400 -0.005 0.000 1.546 173 E CB -0.723 28.975 29.700 -0.004 0.000 1.224 173 E HN 0.614 nan 8.360 nan 0.000 0.483 174 G N 2.168 111.018 108.800 0.083 0.000 2.329 174 G HA2 0.432 4.392 3.960 -0.000 0.000 0.309 174 G HA3 0.432 4.392 3.960 -0.000 0.000 0.309 174 G C -0.283 174.755 174.900 0.229 0.000 1.110 174 G CA -0.718 44.463 45.100 0.135 0.000 0.923 174 G HN 0.371 nan 8.290 nan 0.000 0.430 175 L N 4.640 125.980 121.223 0.197 0.000 2.305 175 L HA 0.334 4.674 4.340 -0.000 0.000 0.281 175 L C -1.411 175.609 176.870 0.250 0.000 1.085 175 L CA -1.568 53.436 54.840 0.273 0.000 0.813 175 L CB 1.694 43.849 42.059 0.160 0.000 1.157 175 L HN 0.408 nan 8.230 nan 0.000 0.436 176 P HA 0.193 nan 4.420 nan 0.000 0.278 176 P C -0.359 177.005 177.300 0.105 0.000 1.238 176 P CA -0.597 62.586 63.100 0.139 0.000 0.794 176 P CB 1.424 33.135 31.700 0.018 0.000 0.955 177 K N 1.252 121.687 120.400 0.059 0.000 2.148 177 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 177 K C 0.650 177.266 176.600 0.027 0.000 1.050 177 K CA 1.073 57.388 56.287 0.046 0.000 0.942 177 K CB 0.028 32.546 32.500 0.030 0.000 0.724 177 K HN 0.437 nan 8.250 nan 0.000 0.446 178 R N 0.620 121.116 120.500 -0.007 0.000 2.538 178 R HA 0.371 4.711 4.340 -0.000 0.000 0.292 178 R C -1.591 174.652 176.300 -0.095 0.000 1.008 178 R CA -0.690 55.387 56.100 -0.038 0.000 0.896 178 R CB 1.805 32.076 30.300 -0.048 0.000 1.187 178 R HN -0.097 nan 8.270 nan 0.000 0.440 179 L N 3.494 124.655 121.223 -0.103 0.000 2.386 179 L HA 0.561 4.901 4.340 -0.000 0.000 0.271 179 L C -1.729 175.039 176.870 -0.170 0.000 0.993 179 L CA -0.943 53.781 54.840 -0.193 0.000 0.819 179 L CB 1.891 43.818 42.059 -0.219 0.000 1.294 179 L HN 0.589 nan 8.230 nan 0.000 0.414 180 L N 5.805 126.899 121.223 -0.215 0.000 2.313 180 L HA 0.720 5.060 4.340 -0.000 0.000 0.283 180 L C -1.291 175.455 176.870 -0.206 0.000 1.013 180 L CA -0.241 54.489 54.840 -0.184 0.000 0.816 180 L CB 1.773 43.720 42.059 -0.187 0.000 1.236 180 L HN 0.420 nan 8.230 nan 0.000 0.419 181 V N 6.904 126.724 119.914 -0.157 0.000 2.384 181 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 181 V C 0.097 176.108 176.094 -0.138 0.000 1.020 181 V CA -0.384 61.834 62.300 -0.136 0.000 0.850 181 V CB 1.440 33.214 31.823 -0.081 0.000 0.987 181 V HN 0.611 nan 8.190 nan 0.000 0.436 182 I N 4.789 125.258 120.570 -0.168 0.000 2.306 182 I HA 0.728 4.898 4.170 -0.000 0.000 0.288 182 I C 0.668 176.729 176.117 -0.094 0.000 1.036 182 I CA 0.010 61.207 61.300 -0.172 0.000 1.221 182 I CB 1.199 39.019 38.000 -0.300 0.000 1.385 182 I HN 0.846 nan 8.210 nan 0.000 0.472 183 G N 3.470 112.235 108.800 -0.059 0.000 3.088 183 G HA2 0.095 4.055 3.960 -0.000 0.000 0.620 183 G HA3 0.095 4.055 3.960 -0.000 0.000 0.620 183 G C -0.088 174.798 174.900 -0.024 0.000 1.375 183 G CA -0.541 44.542 45.100 -0.028 0.000 1.016 183 G HN 0.856 nan 8.290 nan 0.000 0.590 184 G N 0.393 109.179 108.800 -0.023 0.000 3.702 184 G HA2 0.638 4.598 3.960 -0.000 0.000 0.288 184 G HA3 0.638 4.598 3.960 -0.000 0.000 0.288 184 G C 0.834 175.702 174.900 -0.053 0.000 1.193 184 G CA 0.898 45.976 45.100 -0.037 0.000 0.952 184 G HN 1.193 nan 8.290 nan 0.000 0.544 185 G N -1.037 107.743 108.800 -0.033 0.000 2.532 185 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 185 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 185 G C 1.320 176.210 174.900 -0.018 0.000 1.349 185 G CA 0.238 45.315 45.100 -0.037 0.000 1.038 185 G HN 0.311 nan 8.290 nan 0.000 0.518 186 A N -1.201 121.621 122.820 0.003 0.000 1.917 186 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 186 A C 2.524 180.154 177.584 0.077 0.000 1.182 186 A CA 2.263 54.332 52.037 0.053 0.000 0.633 186 A CB -0.755 18.307 19.000 0.104 0.000 0.819 186 A HN 0.518 nan 8.150 nan 0.000 0.448 187 V N -0.261 119.693 119.914 0.068 0.000 2.237 187 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 187 V C 2.859 178.994 176.094 0.068 0.000 1.046 187 V CA 2.094 64.438 62.300 0.074 0.000 1.007 187 V CB -1.554 30.308 31.823 0.064 0.000 0.638 187 V HN 0.606 nan 8.190 nan 0.000 0.445 188 G N -0.385 108.442 108.800 0.044 0.000 2.422 188 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 188 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 188 G C 1.599 176.521 174.900 0.037 0.000 1.146 188 G CA 0.955 46.074 45.100 0.032 0.000 0.769 188 G HN 0.452 nan 8.290 nan 0.000 0.547 189 L N -0.104 121.138 121.223 0.032 0.000 2.017 189 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 189 L C 2.895 179.806 176.870 0.069 0.000 1.073 189 L CA 1.362 56.222 54.840 0.035 0.000 0.745 189 L CB -0.451 41.617 42.059 0.014 0.000 0.894 189 L HN 0.263 nan 8.230 nan 0.000 0.432 190 E N 0.155 120.412 120.200 0.094 0.000 2.047 190 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 190 E C 2.343 179.026 176.600 0.137 0.000 0.987 190 E CA 1.060 57.533 56.400 0.123 0.000 0.799 190 E CB -0.095 29.694 29.700 0.149 0.000 0.752 190 E HN 0.409 nan 8.360 nan 0.000 0.449 191 L N 0.142 121.453 121.223 0.147 0.000 2.156 191 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 191 L C 2.478 179.502 176.870 0.256 0.000 1.095 191 L CA 0.881 55.853 54.840 0.220 0.000 0.770 191 L CB -0.460 41.718 42.059 0.199 0.000 0.914 191 L HN 0.242 nan 8.230 nan 0.000 0.439 192 G N -0.789 108.098 108.800 0.145 0.000 2.402 192 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.216 192 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.216 192 G C 1.495 176.479 174.900 0.141 0.000 1.162 192 G CA 0.577 45.748 45.100 0.118 0.000 0.777 192 G HN 0.357 nan 8.290 nan 0.000 0.539 193 Q N -0.175 119.691 119.800 0.109 0.000 2.119 193 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 193 Q C 2.665 178.717 176.000 0.087 0.000 0.972 193 Q CA 1.194 57.042 55.803 0.076 0.000 0.847 193 Q CB -0.114 28.651 28.738 0.045 0.000 0.903 193 Q HN 0.296 nan 8.270 nan 0.000 0.433 194 V N 0.229 120.215 119.914 0.120 0.000 2.255 194 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 194 V C 1.816 177.927 176.094 0.028 0.000 1.051 194 V CA 2.021 64.362 62.300 0.069 0.000 1.018 194 V CB -0.745 31.120 31.823 0.070 0.000 0.641 194 V HN 0.460 nan 8.190 nan 0.000 0.445 195 Y N 0.021 120.363 120.300 0.069 0.000 2.224 195 Y HA -0.247 4.303 4.550 -0.000 0.000 0.289 195 Y C 2.715 178.647 175.900 0.054 0.000 1.146 195 Y CA 2.083 60.227 58.100 0.075 0.000 1.182 195 Y CB -0.261 38.252 38.460 0.090 0.000 0.983 195 Y HN 0.123 nan 8.280 nan 0.000 0.524 196 R N 1.049 121.654 120.500 0.174 0.000 2.073 196 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 196 R C 1.963 178.306 176.300 0.073 0.000 1.134 196 R CA 1.607 57.769 56.100 0.104 0.000 0.952 196 R CB -0.372 29.972 30.300 0.072 0.000 0.850 196 R HN 0.204 nan 8.270 nan 0.000 0.433 197 R N -0.426 120.107 120.500 0.054 0.000 2.237 197 R HA -0.024 4.316 4.340 -0.000 0.000 0.219 197 R C 1.164 177.485 176.300 0.035 0.000 1.080 197 R CA 0.683 56.815 56.100 0.053 0.000 0.995 197 R CB -0.133 30.189 30.300 0.035 0.000 0.875 197 R HN 0.140 nan 8.270 nan 0.000 0.462 198 L N -1.069 120.158 121.223 0.007 0.000 2.591 198 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 198 L C 1.374 178.253 176.870 0.015 0.000 1.133 198 L CA 1.152 55.979 54.840 -0.021 0.000 0.880 198 L CB 0.476 42.466 42.059 -0.115 0.000 1.033 198 L HN 0.425 nan 8.230 nan 0.000 0.450 199 G N -1.911 106.915 108.800 0.044 0.000 2.255 199 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.196 199 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.196 199 G C 0.504 175.446 174.900 0.070 0.000 0.998 199 G CA -0.126 45.005 45.100 0.051 0.000 0.656 199 G HN 0.551 nan 8.290 nan 0.000 0.490 200 A N 0.472 123.355 122.820 0.105 0.000 2.322 200 A HA 0.653 4.973 4.320 -0.000 0.000 0.269 200 A C 0.318 177.949 177.584 0.079 0.000 1.094 200 A CA -0.119 51.986 52.037 0.114 0.000 0.807 200 A CB 0.452 19.572 19.000 0.200 0.000 1.047 200 A HN 0.193 nan 8.150 nan 0.000 0.487 201 E N 0.479 120.707 120.200 0.047 0.000 2.313 201 E HA 0.429 4.778 4.350 -0.000 0.000 0.276 201 E C -0.869 175.741 176.600 0.017 0.000 1.031 201 E CA -0.076 56.339 56.400 0.025 0.000 0.857 201 E CB 1.421 31.125 29.700 0.006 0.000 1.040 201 E HN 0.287 nan 8.360 nan 0.000 0.408 202 V N 2.706 122.629 119.914 0.014 0.000 2.588 202 V HA 0.377 4.497 4.120 -0.000 0.000 0.304 202 V C -0.169 175.914 176.094 -0.018 0.000 1.042 202 V CA -0.694 61.606 62.300 -0.001 0.000 0.877 202 V CB 2.299 34.140 31.823 0.029 0.000 0.996 202 V HN 0.597 nan 8.190 nan 0.000 0.425 203 T N 5.857 120.385 114.554 -0.042 0.000 2.812 203 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 203 T C -0.793 173.872 174.700 -0.059 0.000 0.990 203 T CA -0.260 61.812 62.100 -0.046 0.000 0.960 203 T CB 1.401 70.237 68.868 -0.054 0.000 0.948 203 T HN 0.547 nan 8.240 nan 0.000 0.438 204 L N 5.713 126.908 121.223 -0.048 0.000 2.333 204 L HA 0.758 5.098 4.340 -0.000 0.000 0.280 204 L C -0.829 176.009 176.870 -0.053 0.000 1.004 204 L CA -1.069 53.738 54.840 -0.054 0.000 0.820 204 L CB 0.850 42.887 42.059 -0.036 0.000 1.247 204 L HN 0.734 nan 8.230 nan 0.000 0.416 205 I N 1.211 121.742 120.570 -0.065 0.000 2.493 205 I HA 0.727 4.897 4.170 -0.000 0.000 0.298 205 I C -1.018 175.076 176.117 -0.037 0.000 0.998 205 I CA -0.458 60.809 61.300 -0.055 0.000 1.137 205 I CB 1.931 39.891 38.000 -0.066 0.000 1.310 205 I HN 0.610 nan 8.210 nan 0.000 0.445 206 E N 4.188 124.376 120.200 -0.021 0.000 2.246 206 E HA 0.220 4.570 4.350 -0.000 0.000 0.266 206 E C -0.582 176.044 176.600 0.043 0.000 0.880 206 E CA -0.696 55.711 56.400 0.011 0.000 0.762 206 E CB 1.298 30.994 29.700 -0.007 0.000 1.180 206 E HN 0.619 nan 8.360 nan 0.000 0.416 207 Y N 4.976 125.251 120.300 -0.041 0.000 2.145 207 Y HA -0.018 4.532 4.550 -0.000 0.000 0.286 207 Y C 0.658 176.542 175.900 -0.027 0.000 1.145 207 Y CA 1.422 59.505 58.100 -0.030 0.000 1.148 207 Y CB 0.239 38.685 38.460 -0.024 0.000 0.981 207 Y HN 0.472 nan 8.280 nan 0.000 0.507 208 M N 0.627 120.381 119.600 0.257 0.000 2.167 208 M HA 0.065 4.545 4.480 -0.000 0.000 0.300 208 M C -1.224 175.093 176.300 0.029 0.000 1.171 208 M CA -2.016 53.375 55.300 0.151 0.000 1.171 208 M CB -0.717 31.943 32.600 0.099 0.000 1.396 208 M HN -0.057 nan 8.290 nan 0.000 0.466 209 P HA -0.111 nan 4.420 nan 0.000 0.219 209 P C -0.137 177.149 177.300 -0.025 0.000 1.146 209 P CA 1.455 64.545 63.100 -0.018 0.000 0.808 209 P CB 0.318 32.011 31.700 -0.012 0.000 0.779 210 E N -1.339 118.846 120.200 -0.026 0.000 2.408 210 E HA 0.378 4.728 4.350 -0.000 0.000 0.275 210 E C -0.516 176.049 176.600 -0.059 0.000 0.935 210 E CA -1.156 55.218 56.400 -0.043 0.000 0.775 210 E CB 0.907 30.578 29.700 -0.048 0.000 1.277 210 E HN -0.086 nan 8.360 nan 0.000 0.455 211 I N -0.015 120.507 120.570 -0.080 0.000 3.004 211 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 211 I C 0.260 176.272 176.117 -0.176 0.000 1.144 211 I CA -0.756 60.480 61.300 -0.107 0.000 1.353 211 I CB 0.234 38.167 38.000 -0.111 0.000 1.417 211 I HN 0.669 nan 8.210 nan 0.000 0.602 212 L N 1.944 123.042 121.223 -0.208 0.000 3.713 212 L HA -0.156 4.183 4.340 -0.000 0.000 0.499 212 L C -1.296 175.443 176.870 -0.219 0.000 1.281 212 L CA -0.368 54.289 54.840 -0.305 0.000 0.796 212 L CB -1.549 40.133 42.059 -0.628 0.000 1.535 212 L HN 0.711 nan 8.230 nan 0.000 0.851 213 P HA -0.225 nan 4.420 nan 0.000 0.218 213 P C 1.098 178.365 177.300 -0.055 0.000 1.146 213 P CA 1.497 64.555 63.100 -0.069 0.000 0.820 213 P CB 0.272 31.951 31.700 -0.034 0.000 0.778 214 Q N -0.497 119.269 119.800 -0.055 0.000 2.360 214 Q HA 0.262 4.602 4.340 -0.000 0.000 0.202 214 Q C 1.152 177.174 176.000 0.036 0.000 0.915 214 Q CA 0.219 56.021 55.803 -0.002 0.000 0.943 214 Q CB -0.037 28.715 28.738 0.023 0.000 1.064 214 Q HN 0.236 nan 8.270 nan 0.000 0.511 215 G N -0.429 108.353 108.800 -0.030 0.000 2.509 215 G HA2 0.294 4.253 3.960 -0.000 0.000 0.328 215 G HA3 0.294 4.253 3.960 -0.000 0.000 0.328 215 G C -1.212 173.660 174.900 -0.047 0.000 1.194 215 G CA -0.773 44.380 45.100 0.088 0.000 0.967 215 G HN 0.122 nan 8.290 nan 0.000 0.488 216 D N 0.803 121.063 120.400 -0.234 0.000 2.570 216 D HA 0.012 4.651 4.640 -0.000 0.000 0.243 216 D C -0.628 175.616 176.300 -0.093 0.000 1.171 216 D CA -0.825 52.922 54.000 -0.421 0.000 0.879 216 D CB 1.189 41.436 40.800 -0.921 0.000 1.143 216 D HN 0.040 nan 8.370 nan 0.000 0.511 217 P HA -0.163 nan 4.420 nan 0.000 0.221 217 P C 1.078 178.376 177.300 -0.003 0.000 1.150 217 P CA 0.880 63.954 63.100 -0.043 0.000 0.800 217 P CB 0.252 31.925 31.700 -0.045 0.000 0.787 218 E N 0.492 120.691 120.200 -0.002 0.000 2.031 218 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 218 E C 1.930 178.579 176.600 0.083 0.000 0.994 218 E CA 2.353 58.770 56.400 0.028 0.000 0.800 218 E CB -0.329 29.383 29.700 0.020 0.000 0.752 218 E HN 0.254 nan 8.360 nan 0.000 0.447 219 T N -1.433 113.212 114.554 0.151 0.000 2.951 219 T HA 0.067 4.417 4.350 -0.000 0.000 0.268 219 T C 1.939 176.843 174.700 0.339 0.000 1.073 219 T CA 0.892 63.148 62.100 0.261 0.000 1.134 219 T CB -0.165 68.891 68.868 0.313 0.000 0.884 219 T HN 0.218 nan 8.240 nan 0.000 0.479 220 A N 1.668 124.639 122.820 0.252 0.000 1.969 220 A HA 0.425 4.745 4.320 -0.000 0.000 0.218 220 A C 2.752 180.340 177.584 0.007 0.000 1.169 220 A CA 1.503 53.547 52.037 0.011 0.000 0.635 220 A CB -1.216 17.698 19.000 -0.143 0.000 0.810 220 A HN 0.699 nan 8.150 nan 0.000 0.445 221 A N -0.282 122.555 122.820 0.029 0.000 1.930 221 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 221 A C 2.115 179.720 177.584 0.035 0.000 1.175 221 A CA 1.277 53.324 52.037 0.016 0.000 0.627 221 A CB -0.508 18.500 19.000 0.012 0.000 0.815 221 A HN 0.454 nan 8.150 nan 0.000 0.443 222 L N -0.921 120.341 121.223 0.066 0.000 2.093 222 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 222 L C 2.536 179.452 176.870 0.076 0.000 1.085 222 L CA 1.057 55.939 54.840 0.070 0.000 0.755 222 L CB -0.453 41.658 42.059 0.087 0.000 0.904 222 L HN 0.494 nan 8.230 nan 0.000 0.435 223 L N 0.258 121.543 121.223 0.102 0.000 2.027 223 L HA -0.204 4.136 4.340 -0.000 0.000 0.206 223 L C 2.705 179.598 176.870 0.038 0.000 1.074 223 L CA 1.704 56.597 54.840 0.089 0.000 0.745 223 L CB -0.637 41.483 42.059 0.102 0.000 0.898 223 L HN 0.127 nan 8.230 nan 0.000 0.433 224 R N -0.541 119.967 120.500 0.014 0.000 2.083 224 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 224 R C 2.427 178.732 176.300 0.009 0.000 1.137 224 R CA 1.873 57.972 56.100 -0.001 0.000 0.951 224 R CB -0.220 30.072 30.300 -0.015 0.000 0.851 224 R HN 0.363 nan 8.270 nan 0.000 0.434 225 R N -0.145 120.365 120.500 0.016 0.000 2.096 225 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 225 R C 2.396 178.709 176.300 0.022 0.000 1.127 225 R CA 1.348 57.458 56.100 0.017 0.000 0.968 225 R CB -0.369 29.942 30.300 0.019 0.000 0.861 225 R HN 0.302 nan 8.270 nan 0.000 0.440 226 A N 1.050 123.888 122.820 0.030 0.000 1.902 226 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 226 A C 1.984 179.581 177.584 0.023 0.000 1.181 226 A CA 1.147 53.203 52.037 0.033 0.000 0.623 226 A CB -0.333 18.693 19.000 0.044 0.000 0.818 226 A HN 0.088 nan 8.150 nan 0.000 0.443 227 L N 0.162 121.395 121.223 0.017 0.000 2.093 227 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 227 L C 2.348 179.223 176.870 0.009 0.000 1.085 227 L CA 1.882 56.727 54.840 0.008 0.000 0.755 227 L CB -1.037 41.026 42.059 0.007 0.000 0.904 227 L HN 0.493 nan 8.230 nan 0.000 0.435 228 E N -0.794 119.412 120.200 0.010 0.000 2.204 228 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 228 E C 2.014 178.623 176.600 0.015 0.000 0.989 228 E CA 0.612 57.017 56.400 0.009 0.000 0.824 228 E CB -0.030 29.673 29.700 0.005 0.000 0.756 228 E HN 0.374 nan 8.360 nan 0.000 0.477 229 K N 1.284 121.696 120.400 0.020 0.000 2.283 229 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 229 K C 1.318 177.940 176.600 0.038 0.000 1.048 229 K CA 0.900 57.204 56.287 0.028 0.000 0.948 229 K CB 0.204 32.724 32.500 0.034 0.000 0.742 229 K HN 0.050 nan 8.250 nan 0.000 0.458 230 E N -1.002 119.219 120.200 0.035 0.000 2.465 230 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 230 E C 0.508 177.131 176.600 0.039 0.000 1.053 230 E CA 0.365 56.793 56.400 0.047 0.000 0.869 230 E CB 0.588 30.299 29.700 0.017 0.000 0.977 230 E HN 0.544 nan 8.360 nan 0.000 0.483 231 G N 1.748 110.564 108.800 0.027 0.000 2.157 231 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.239 231 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.239 231 G C 0.259 175.169 174.900 0.016 0.000 0.982 231 G CA -0.284 44.829 45.100 0.021 0.000 0.650 231 G HN 0.245 nan 8.290 nan 0.000 0.527 232 I N 1.270 121.849 120.570 0.014 0.000 2.363 232 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 232 I C 0.989 177.106 176.117 0.000 0.000 1.075 232 I CA -0.675 60.630 61.300 0.009 0.000 1.333 232 I CB 0.841 38.848 38.000 0.011 0.000 1.415 232 I HN 0.111 nan 8.210 nan 0.000 0.502 233 R N 6.265 126.761 120.500 -0.006 0.000 2.288 233 R HA 0.307 4.647 4.340 -0.000 0.000 0.330 233 R C -1.241 175.048 176.300 -0.019 0.000 1.069 233 R CA -0.150 55.943 56.100 -0.013 0.000 0.941 233 R CB 0.379 30.669 30.300 -0.017 0.000 0.998 233 R HN 0.450 nan 8.270 nan 0.000 0.452 234 V N 6.757 126.660 119.914 -0.018 0.000 2.333 234 V HA 0.414 4.534 4.120 -0.000 0.000 0.274 234 V C -0.005 176.073 176.094 -0.028 0.000 1.028 234 V CA -0.732 61.553 62.300 -0.024 0.000 0.851 234 V CB 1.233 33.043 31.823 -0.021 0.000 1.000 234 V HN 0.645 nan 8.190 nan 0.000 0.456 235 R N 3.355 123.834 120.500 -0.034 0.000 2.239 235 R HA 0.429 4.769 4.340 -0.000 0.000 0.332 235 R C 0.377 176.652 176.300 -0.042 0.000 0.988 235 R CA -0.284 55.794 56.100 -0.037 0.000 0.859 235 R CB 1.400 31.676 30.300 -0.040 0.000 1.148 235 R HN 0.848 nan 8.270 nan 0.000 0.482 236 T N -1.384 113.145 114.554 -0.042 0.000 2.862 236 T HA 0.257 4.607 4.350 -0.000 0.000 0.276 236 T C 0.296 174.954 174.700 -0.069 0.000 0.974 236 T CA -0.851 61.221 62.100 -0.047 0.000 0.966 236 T CB 0.979 69.823 68.868 -0.040 0.000 1.072 236 T HN 0.578 nan 8.240 nan 0.000 0.538 237 K N -0.128 120.218 120.400 -0.091 0.000 3.016 237 K HA -0.144 4.176 4.320 -0.000 0.000 0.262 237 K C -0.432 176.057 176.600 -0.185 0.000 1.043 237 K CA 0.820 57.014 56.287 -0.155 0.000 0.761 237 K CB -2.265 30.167 32.500 -0.113 0.000 1.230 237 K HN 0.782 nan 8.250 nan 0.000 0.485 238 T N 0.321 114.778 114.554 -0.161 0.000 2.906 238 T HA 0.532 4.882 4.350 -0.000 0.000 0.295 238 T C -0.737 173.903 174.700 -0.101 0.000 1.061 238 T CA -1.104 60.919 62.100 -0.127 0.000 1.000 238 T CB 2.174 70.999 68.868 -0.072 0.000 1.103 238 T HN 0.298 nan 8.240 nan 0.000 0.486 239 K N -0.105 120.258 120.400 -0.061 0.000 2.477 239 K HA 0.861 5.181 4.320 -0.000 0.000 0.255 239 K C -1.352 175.272 176.600 0.039 0.000 0.952 239 K CA -1.204 55.099 56.287 0.026 0.000 0.826 239 K CB 2.162 34.721 32.500 0.098 0.000 1.331 239 K HN 0.600 nan 8.250 nan 0.000 0.437 240 A N 2.226 125.074 122.820 0.046 0.000 2.274 240 A HA 0.431 4.751 4.320 -0.000 0.000 0.309 240 A C 0.499 178.267 177.584 0.308 0.000 1.226 240 A CA -0.820 51.285 52.037 0.115 0.000 0.853 240 A CB 0.862 19.776 19.000 -0.144 0.000 1.146 240 A HN 0.556 nan 8.150 nan 0.000 0.518 241 V N 2.532 122.623 119.914 0.295 0.000 2.492 241 V HA 0.375 4.495 4.120 -0.000 0.000 0.241 241 V C 1.412 177.613 176.094 0.177 0.000 1.041 241 V CA 1.664 64.097 62.300 0.221 0.000 1.057 241 V CB -0.510 31.379 31.823 0.110 0.000 0.711 241 V HN 1.191 nan 8.190 nan 0.000 0.468 242 G N -1.359 107.505 108.800 0.105 0.000 2.489 242 G HA2 0.549 4.509 3.960 -0.000 0.000 0.305 242 G HA3 0.549 4.509 3.960 -0.000 0.000 0.305 242 G C -1.888 172.958 174.900 -0.091 0.000 1.311 242 G CA 0.047 44.980 45.100 -0.278 0.000 0.813 242 G HN 0.354 nan 8.290 nan 0.000 0.480 243 Y N -1.453 118.623 120.300 -0.373 0.000 2.750 243 Y HA 0.796 5.346 4.550 -0.000 0.000 0.335 243 Y C -1.392 174.430 175.900 -0.129 0.000 1.252 243 Y CA -1.219 56.789 58.100 -0.154 0.000 1.064 243 Y CB 1.019 39.428 38.460 -0.084 0.000 1.321 243 Y HN 0.893 nan 8.280 nan 0.000 0.451 244 E N 1.069 121.155 120.200 -0.190 0.000 2.304 244 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 244 E C -1.895 174.710 176.600 0.009 0.000 0.898 244 E CA -1.240 54.989 56.400 -0.284 0.000 0.764 244 E CB 2.864 32.443 29.700 -0.202 0.000 1.216 244 E HN 0.655 nan 8.360 nan 0.000 0.419 245 K N 2.951 123.355 120.400 0.007 0.000 2.297 245 K HA 0.230 4.550 4.320 -0.000 0.000 0.286 245 K C -0.776 175.841 176.600 0.028 0.000 1.053 245 K CA -0.118 56.240 56.287 0.118 0.000 0.940 245 K CB 0.719 33.298 32.500 0.132 0.000 1.019 245 K HN 0.457 nan 8.250 nan 0.000 0.475 246 K N 2.203 122.635 120.400 0.055 0.000 2.349 246 K HA 0.164 4.484 4.320 -0.000 0.000 0.243 246 K C 0.666 177.294 176.600 0.046 0.000 1.058 246 K CA -0.877 55.402 56.287 -0.014 0.000 0.871 246 K CB 1.376 33.774 32.500 -0.169 0.000 1.337 246 K HN 0.511 nan 8.250 nan 0.000 0.469 247 K N 0.433 120.850 120.400 0.028 0.000 2.211 247 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 247 K C 0.651 177.290 176.600 0.064 0.000 1.047 247 K CA 2.216 58.528 56.287 0.041 0.000 0.935 247 K CB -0.043 32.472 32.500 0.026 0.000 0.728 247 K HN 0.590 nan 8.250 nan 0.000 0.452 248 D N -0.285 120.177 120.400 0.103 0.000 2.369 248 D HA 0.175 4.815 4.640 -0.000 0.000 0.211 248 D C 0.776 177.134 176.300 0.096 0.000 1.077 248 D CA 0.456 54.516 54.000 0.099 0.000 0.842 248 D CB 0.746 41.613 40.800 0.111 0.000 0.947 248 D HN 0.398 nan 8.370 nan 0.000 0.509 249 G N 0.027 108.905 108.800 0.131 0.000 2.340 249 G HA2 0.118 4.078 3.960 -0.000 0.000 0.282 249 G HA3 0.118 4.078 3.960 -0.000 0.000 0.282 249 G C -1.688 173.328 174.900 0.195 0.000 1.312 249 G CA -0.837 44.325 45.100 0.103 0.000 0.942 249 G HN 0.130 nan 8.290 nan 0.000 0.495 250 L N 1.632 122.931 121.223 0.127 0.000 2.261 250 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 250 L C 0.107 177.096 176.870 0.199 0.000 1.059 250 L CA -0.664 54.301 54.840 0.208 0.000 0.816 250 L CB 0.788 42.884 42.059 0.062 0.000 1.191 250 L HN 0.471 nan 8.230 nan 0.000 0.431 251 H N 3.652 122.795 119.070 0.123 0.000 2.846 251 H HA 0.245 4.801 4.556 -0.000 0.000 0.278 251 H C -0.500 174.910 175.328 0.137 0.000 1.117 251 H CA -0.560 55.542 56.048 0.089 0.000 1.406 251 H CB 1.291 31.083 29.762 0.049 0.000 1.445 251 H HN 0.307 nan 8.280 nan 0.000 0.469 252 V N 4.857 124.882 119.914 0.186 0.000 2.439 252 V HA 0.185 4.305 4.120 -0.000 0.000 0.282 252 V C 0.609 176.799 176.094 0.159 0.000 1.039 252 V CA -0.735 61.700 62.300 0.224 0.000 0.913 252 V CB 1.804 33.745 31.823 0.195 0.000 0.983 252 V HN 0.667 nan 8.190 nan 0.000 0.460 253 R N 4.783 125.386 120.500 0.172 0.000 2.207 253 R HA 0.608 4.948 4.340 -0.000 0.000 0.334 253 R C -1.251 175.121 176.300 0.120 0.000 1.013 253 R CA -0.421 55.747 56.100 0.113 0.000 0.858 253 R CB 0.550 30.899 30.300 0.081 0.000 1.094 253 R HN 0.703 nan 8.270 nan 0.000 0.457 254 L N 3.368 124.634 121.223 0.071 0.000 2.322 254 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 254 L C 0.353 177.239 176.870 0.025 0.000 1.012 254 L CA -0.630 54.239 54.840 0.048 0.000 0.815 254 L CB 1.995 44.064 42.059 0.016 0.000 1.295 254 L HN 0.772 nan 8.230 nan 0.000 0.438 255 E N -0.284 119.921 120.200 0.008 0.000 3.934 255 E HA 0.000 4.350 4.350 -0.000 0.000 0.107 255 E C -0.167 176.405 176.600 -0.047 0.000 1.257 255 E CA -0.517 55.876 56.400 -0.011 0.000 0.763 255 E CB 0.099 29.800 29.700 0.002 0.000 1.941 255 E HN 0.624 nan 8.360 nan 0.000 0.517 256 E N 1.490 121.559 120.200 -0.218 0.000 2.676 256 E HA -0.303 4.047 4.350 -0.000 0.000 0.287 256 E C 0.326 176.902 176.600 -0.041 0.000 1.421 256 E CA 1.550 57.899 56.400 -0.086 0.000 0.970 256 E CB -1.516 28.148 29.700 -0.059 0.000 0.878 256 E HN 0.672 nan 8.360 nan 0.000 0.474 257 G N -1.651 107.119 108.800 -0.050 0.000 2.719 257 G HA2 0.374 4.333 3.960 -0.000 0.000 0.686 257 G HA3 0.374 4.333 3.960 -0.000 0.000 0.686 257 G C 0.139 175.025 174.900 -0.023 0.000 1.201 257 G CA 0.170 45.258 45.100 -0.019 0.000 0.768 257 G HN 1.287 nan 8.290 nan 0.000 0.629 258 G N 0.138 108.929 108.800 -0.014 0.000 2.368 258 G HA2 0.553 4.512 3.960 -0.000 0.000 0.269 258 G HA3 0.553 4.512 3.960 -0.000 0.000 0.269 258 G C -0.769 174.126 174.900 -0.009 0.000 1.291 258 G CA 0.029 45.120 45.100 -0.014 0.000 0.903 258 G HN 0.968 nan 8.290 nan 0.000 0.483 259 E N 0.698 120.892 120.200 -0.010 0.000 2.415 259 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 259 E C 1.067 177.665 176.600 -0.003 0.000 0.995 259 E CA 0.651 57.048 56.400 -0.005 0.000 0.915 259 E CB 0.715 30.411 29.700 -0.007 0.000 0.951 259 E HN 0.886 nan 8.360 nan 0.000 0.449 260 G N 2.722 111.524 108.800 0.003 0.000 2.554 260 G HA2 0.076 4.036 3.960 -0.000 0.000 0.238 260 G HA3 0.076 4.036 3.960 -0.000 0.000 0.238 260 G C -0.262 174.644 174.900 0.009 0.000 1.259 260 G CA -0.149 44.957 45.100 0.010 0.000 0.843 260 G HN 0.469 nan 8.290 nan 0.000 0.582 261 E N -0.135 120.073 120.200 0.014 0.000 2.265 261 E HA 0.199 4.549 4.350 -0.000 0.000 0.262 261 E C -0.982 175.630 176.600 0.020 0.000 0.889 261 E CA -0.426 55.980 56.400 0.010 0.000 0.789 261 E CB 1.789 31.489 29.700 0.000 0.000 1.221 261 E HN 0.596 nan 8.360 nan 0.000 0.414 262 E N 3.589 123.800 120.200 0.019 0.000 2.151 262 E HA 0.463 4.812 4.350 -0.000 0.000 0.275 262 E C -1.606 174.990 176.600 -0.008 0.000 0.936 262 E CA -0.684 55.732 56.400 0.027 0.000 0.777 262 E CB 1.778 31.508 29.700 0.051 0.000 1.108 262 E HN 0.228 nan 8.360 nan 0.000 0.401 263 V N 4.461 124.363 119.914 -0.020 0.000 2.914 263 V HA 0.546 4.666 4.120 -0.000 0.000 0.314 263 V C -1.288 174.735 176.094 -0.119 0.000 1.084 263 V CA -0.613 61.650 62.300 -0.062 0.000 0.963 263 V CB 2.242 34.039 31.823 -0.044 0.000 1.025 263 V HN 0.560 nan 8.190 nan 0.000 0.432 264 V N 6.048 125.861 119.914 -0.168 0.000 2.409 264 V HA 0.678 4.798 4.120 -0.000 0.000 0.291 264 V C -0.190 175.825 176.094 -0.132 0.000 1.020 264 V CA -0.255 61.906 62.300 -0.231 0.000 0.848 264 V CB 1.403 33.005 31.823 -0.368 0.000 0.990 264 V HN 0.912 nan 8.190 nan 0.000 0.430 265 V N 0.764 120.616 119.914 -0.104 0.000 3.126 265 V HA 0.671 4.791 4.120 -0.000 0.000 0.314 265 V C 0.195 176.232 176.094 -0.096 0.000 1.138 265 V CA -0.605 61.633 62.300 -0.102 0.000 1.034 265 V CB 2.461 34.206 31.823 -0.131 0.000 1.075 265 V HN 0.595 nan 8.190 nan 0.000 0.442 266 D N -0.054 120.278 120.400 -0.113 0.000 2.277 266 D HA 0.173 4.812 4.640 -0.000 0.000 0.209 266 D C 0.154 176.332 176.300 -0.202 0.000 0.970 266 D CA 0.898 54.836 54.000 -0.105 0.000 0.874 266 D CB 0.458 41.219 40.800 -0.065 0.000 0.982 266 D HN 0.456 nan 8.370 nan 0.000 0.504 267 K N 0.503 120.702 120.400 -0.335 0.000 2.508 267 K HA 0.508 4.827 4.320 -0.000 0.000 0.260 267 K C -0.917 175.348 176.600 -0.559 0.000 0.949 267 K CA -0.769 55.161 56.287 -0.595 0.000 0.834 267 K CB 3.166 35.002 32.500 -1.106 0.000 1.365 267 K HN -0.252 nan 8.250 nan 0.000 0.437 268 V N 2.007 121.570 119.914 -0.586 0.000 2.604 268 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 268 V C -0.925 174.943 176.094 -0.376 0.000 1.043 268 V CA -1.024 61.019 62.300 -0.428 0.000 0.888 268 V CB 1.890 33.501 31.823 -0.352 0.000 0.995 268 V HN 0.602 nan 8.190 nan 0.000 0.429 269 L N 6.201 127.267 121.223 -0.260 0.000 2.316 269 L HA 0.650 4.990 4.340 -0.000 0.000 0.280 269 L C -0.570 176.265 176.870 -0.058 0.000 1.006 269 L CA -0.029 54.766 54.840 -0.074 0.000 0.836 269 L CB 1.620 43.645 42.059 -0.058 0.000 1.221 269 L HN 0.420 nan 8.230 nan 0.000 0.418 270 V N 5.578 125.522 119.914 0.051 0.000 2.368 270 V HA 0.664 4.784 4.120 -0.000 0.000 0.266 270 V C 0.726 176.892 176.094 0.121 0.000 1.045 270 V CA 0.242 62.550 62.300 0.013 0.000 0.899 270 V CB 0.808 32.600 31.823 -0.053 0.000 1.006 270 V HN 0.943 nan 8.190 nan 0.000 0.470 271 A N 4.372 127.218 122.820 0.042 0.000 3.308 271 A HA 0.484 4.804 4.320 -0.000 0.000 0.275 271 A C 0.614 178.216 177.584 0.030 0.000 0.950 271 A CA 0.053 52.125 52.037 0.059 0.000 0.987 271 A CB 0.716 19.744 19.000 0.046 0.000 1.146 271 A HN 1.001 nan 8.150 nan 0.000 0.488 272 V N -2.965 116.967 119.914 0.030 0.000 3.649 272 V HA 0.618 4.738 4.120 -0.000 0.000 0.275 272 V C 0.770 176.879 176.094 0.024 0.000 1.281 272 V CA 0.704 63.010 62.300 0.010 0.000 1.143 272 V CB -0.712 31.104 31.823 -0.011 0.000 0.892 272 V HN 1.443 nan 8.190 nan 0.000 0.441 273 G N -0.008 108.821 108.800 0.049 0.000 2.352 273 G HA2 0.385 4.345 3.960 -0.000 0.000 0.283 273 G HA3 0.385 4.345 3.960 -0.000 0.000 0.283 273 G C -1.649 173.292 174.900 0.069 0.000 1.308 273 G CA -0.966 44.166 45.100 0.055 0.000 0.892 273 G HN 0.287 nan 8.290 nan 0.000 0.504 274 R N -0.114 120.430 120.500 0.073 0.000 2.673 274 R HA 0.564 4.903 4.340 -0.000 0.000 0.281 274 R C -0.996 175.325 176.300 0.034 0.000 0.991 274 R CA -0.900 55.235 56.100 0.058 0.000 0.896 274 R CB 2.471 32.807 30.300 0.061 0.000 1.201 274 R HN 0.678 nan 8.270 nan 0.000 0.457 275 K N 3.620 124.010 120.400 -0.017 0.000 2.307 275 K HA 0.382 4.702 4.320 -0.000 0.000 0.263 275 K C -2.254 174.234 176.600 -0.188 0.000 0.973 275 K CA -1.860 54.369 56.287 -0.097 0.000 0.846 275 K CB 1.601 34.073 32.500 -0.047 0.000 1.100 275 K HN 0.219 nan 8.250 nan 0.000 0.438 276 P HA 0.002 nan 4.420 nan 0.000 0.268 276 P C -1.025 176.142 177.300 -0.221 0.000 1.205 276 P CA 0.039 62.895 63.100 -0.408 0.000 0.771 276 P CB 0.531 31.727 31.700 -0.840 0.000 0.858 277 R N 1.623 122.045 120.500 -0.129 0.000 3.657 277 R HA 0.193 4.533 4.340 -0.000 0.000 0.220 277 R C 0.708 176.979 176.300 -0.048 0.000 1.548 277 R CA 0.007 56.071 56.100 -0.059 0.000 1.465 277 R CB -0.504 29.787 30.300 -0.014 0.000 1.330 277 R HN 0.539 nan 8.270 nan 0.000 0.707 278 T N -3.340 111.173 114.554 -0.067 0.000 3.200 278 T HA 0.192 4.541 4.350 -0.000 0.000 0.284 278 T C 0.332 175.020 174.700 -0.021 0.000 1.009 278 T CA -0.491 61.580 62.100 -0.048 0.000 0.907 278 T CB 0.355 69.182 68.868 -0.069 0.000 1.120 278 T HN 0.223 nan 8.240 nan 0.000 0.534 279 E N 1.013 121.211 120.200 -0.002 0.000 2.313 279 E HA 0.488 4.838 4.350 -0.000 0.000 0.272 279 E C 0.904 177.536 176.600 0.054 0.000 1.038 279 E CA -0.420 55.990 56.400 0.017 0.000 0.863 279 E CB 0.917 30.624 29.700 0.012 0.000 1.060 279 E HN 0.409 nan 8.360 nan 0.000 0.402 280 G N 2.208 111.038 108.800 0.051 0.000 2.361 280 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.294 280 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.294 280 G C 0.454 175.418 174.900 0.106 0.000 1.004 280 G CA 0.714 45.861 45.100 0.077 0.000 0.870 280 G HN 0.404 nan 8.290 nan 0.000 0.510 281 L N -0.554 120.700 121.223 0.051 0.000 2.554 281 L HA 0.521 4.861 4.340 -0.000 0.000 0.225 281 L C 1.942 178.799 176.870 -0.022 0.000 1.104 281 L CA 1.622 56.458 54.840 -0.006 0.000 0.866 281 L CB -0.006 42.026 42.059 -0.045 0.000 1.047 281 L HN 1.299 nan 8.230 nan 0.000 0.468 282 G N -0.744 108.058 108.800 0.003 0.000 2.140 282 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.211 282 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.211 282 G C 0.751 175.647 174.900 -0.007 0.000 1.013 282 G CA 0.458 45.558 45.100 0.001 0.000 0.705 282 G HN 0.356 nan 8.290 nan 0.000 0.508 283 L N 0.384 121.602 121.223 -0.009 0.000 2.202 283 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 283 L C 2.810 179.677 176.870 -0.005 0.000 1.083 283 L CA 1.208 56.042 54.840 -0.010 0.000 0.790 283 L CB -0.372 41.679 42.059 -0.012 0.000 0.942 283 L HN 0.423 nan 8.230 nan 0.000 0.452 284 E N 1.450 121.650 120.200 -0.000 0.000 2.331 284 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 284 E C 1.380 177.981 176.600 0.002 0.000 1.008 284 E CA 1.172 57.574 56.400 0.002 0.000 0.843 284 E CB -0.196 29.508 29.700 0.006 0.000 0.761 284 E HN 0.553 nan 8.360 nan 0.000 0.507 285 K N 0.772 121.173 120.400 0.002 0.000 2.102 285 K HA 0.240 4.560 4.320 -0.000 0.000 0.206 285 K C 2.232 178.832 176.600 -0.001 0.000 1.031 285 K CA 0.735 57.023 56.287 0.002 0.000 0.962 285 K CB -0.155 32.348 32.500 0.005 0.000 0.811 285 K HN 0.117 nan 8.250 nan 0.000 0.453 286 A N 0.740 123.558 122.820 -0.003 0.000 2.259 286 A HA 0.044 4.364 4.320 -0.000 0.000 0.212 286 A C 1.518 179.096 177.584 -0.009 0.000 1.178 286 A CA 1.482 53.515 52.037 -0.006 0.000 0.734 286 A CB -0.856 18.138 19.000 -0.009 0.000 0.774 286 A HN 0.600 nan 8.150 nan 0.000 0.481 287 G N -2.240 106.556 108.800 -0.008 0.000 2.258 287 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.233 287 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.233 287 G C 0.309 175.203 174.900 -0.011 0.000 1.006 287 G CA -0.043 45.051 45.100 -0.009 0.000 0.620 287 G HN 0.893 nan 8.290 nan 0.000 0.511 288 V N 2.802 122.708 119.914 -0.014 0.000 2.486 288 V HA 0.165 4.285 4.120 -0.000 0.000 0.290 288 V C 1.054 177.144 176.094 -0.006 0.000 0.991 288 V CA 0.948 63.240 62.300 -0.014 0.000 1.142 288 V CB 0.364 32.178 31.823 -0.016 0.000 0.926 288 V HN 0.428 nan 8.190 nan 0.000 0.472 289 K N 3.849 124.248 120.400 -0.002 0.000 2.098 289 K HA 0.765 5.085 4.320 -0.000 0.000 0.257 289 K C -0.351 176.258 176.600 0.015 0.000 0.999 289 K CA -0.567 55.723 56.287 0.006 0.000 0.924 289 K CB 1.880 34.384 32.500 0.006 0.000 1.028 289 K HN 0.635 nan 8.250 nan 0.000 0.466 290 V N -1.820 118.107 119.914 0.022 0.000 3.114 290 V HA 0.369 4.489 4.120 -0.000 0.000 0.308 290 V C -0.993 175.129 176.094 0.048 0.000 1.168 290 V CA -1.217 61.106 62.300 0.039 0.000 1.015 290 V CB 1.773 33.610 31.823 0.023 0.000 1.050 290 V HN 0.897 nan 8.190 nan 0.000 0.433 291 D N 1.401 121.849 120.400 0.081 0.000 2.447 291 D HA 0.206 4.846 4.640 -0.000 0.000 0.265 291 D C 1.063 177.406 176.300 0.073 0.000 1.250 291 D CA 0.100 54.146 54.000 0.078 0.000 1.046 291 D CB 0.338 41.199 40.800 0.101 0.000 1.095 291 D HN 0.753 nan 8.370 nan 0.000 0.555 292 E N -0.252 119.987 120.200 0.065 0.000 2.515 292 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 292 E C 1.124 177.764 176.600 0.066 0.000 1.071 292 E CA 0.736 57.167 56.400 0.052 0.000 0.880 292 E CB -0.264 29.460 29.700 0.040 0.000 0.828 292 E HN 0.497 nan 8.360 nan 0.000 0.540 293 R N -0.696 119.875 120.500 0.118 0.000 2.307 293 R HA 0.211 4.550 4.340 -0.000 0.000 0.200 293 R C 1.189 177.493 176.300 0.007 0.000 0.893 293 R CA 0.524 56.706 56.100 0.137 0.000 1.042 293 R CB 0.824 31.337 30.300 0.356 0.000 1.059 293 R HN 0.342 nan 8.270 nan 0.000 0.530 294 G N 0.365 109.170 108.800 0.008 0.000 2.211 294 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.201 294 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.201 294 G C -0.045 174.760 174.900 -0.159 0.000 0.997 294 G CA -0.672 44.361 45.100 -0.112 0.000 0.652 294 G HN 0.108 nan 8.290 nan 0.000 0.500 295 F N 1.682 121.628 119.950 -0.007 0.000 2.484 295 F HA 0.507 5.034 4.527 -0.000 0.000 0.360 295 F C 1.486 177.278 175.800 -0.014 0.000 1.101 295 F CA -0.429 57.563 58.000 -0.013 0.000 1.251 295 F CB 0.584 39.572 39.000 -0.019 0.000 1.132 295 F HN -0.025 nan 8.300 nan 0.000 0.570 296 I N 5.129 125.784 120.570 0.142 0.000 2.533 296 I HA 0.054 4.224 4.170 -0.000 0.000 0.284 296 I C 0.424 176.589 176.117 0.081 0.000 1.109 296 I CA -0.381 60.966 61.300 0.078 0.000 1.412 296 I CB 0.196 38.223 38.000 0.045 0.000 1.396 296 I HN 0.361 nan 8.210 nan 0.000 0.543 297 R N 6.414 126.946 120.500 0.052 0.000 2.449 297 R HA 0.315 4.655 4.340 -0.000 0.000 0.296 297 R C -0.288 176.023 176.300 0.018 0.000 1.047 297 R CA -0.058 56.061 56.100 0.032 0.000 1.018 297 R CB 0.470 30.783 30.300 0.021 0.000 0.962 297 R HN 0.579 nan 8.270 nan 0.000 0.428 298 V N -0.460 119.462 119.914 0.012 0.000 3.165 298 V HA 0.627 4.747 4.120 -0.000 0.000 0.309 298 V C -0.685 175.414 176.094 0.008 0.000 1.267 298 V CA -1.300 61.007 62.300 0.012 0.000 1.067 298 V CB 2.375 34.213 31.823 0.025 0.000 1.082 298 V HN 0.819 nan 8.190 nan 0.000 0.451 299 N N -0.370 118.344 118.700 0.024 0.000 2.701 299 N HA 0.738 5.478 4.740 -0.000 0.000 0.290 299 N C 0.732 176.274 175.510 0.053 0.000 1.338 299 N CA -0.284 52.783 53.050 0.029 0.000 0.799 299 N CB 1.182 39.687 38.487 0.030 0.000 1.491 299 N HN 1.069 nan 8.380 nan 0.000 0.540 300 A N -0.397 122.461 122.820 0.063 0.000 2.084 300 A HA -0.164 4.155 4.320 -0.000 0.000 0.221 300 A C 1.724 179.394 177.584 0.143 0.000 1.161 300 A CA 1.242 53.344 52.037 0.108 0.000 0.653 300 A CB -0.720 18.336 19.000 0.094 0.000 0.802 300 A HN 0.645 nan 8.150 nan 0.000 0.457 301 R N -1.930 118.647 120.500 0.128 0.000 2.310 301 R HA 0.159 4.499 4.340 -0.000 0.000 0.202 301 R C -0.058 176.376 176.300 0.223 0.000 0.933 301 R CA 0.258 56.456 56.100 0.164 0.000 1.054 301 R CB 0.112 30.507 30.300 0.158 0.000 0.985 301 R HN 0.363 nan 8.270 nan 0.000 0.489 302 M N 0.317 120.025 119.600 0.179 0.000 2.732 302 M HA -0.176 4.304 4.480 -0.000 0.000 0.207 302 M C -1.103 175.355 176.300 0.263 0.000 0.513 302 M CA 1.001 56.415 55.300 0.190 0.000 0.652 302 M CB -2.483 30.230 32.600 0.189 0.000 2.410 302 M HN 0.184 nan 8.290 nan 0.000 0.660 303 E N 0.647 120.932 120.200 0.142 0.000 2.175 303 E HA 0.511 4.861 4.350 -0.000 0.000 0.278 303 E C 0.875 177.440 176.600 -0.059 0.000 0.969 303 E CA -0.198 56.174 56.400 -0.047 0.000 0.796 303 E CB 1.320 30.961 29.700 -0.098 0.000 1.104 303 E HN 0.424 nan 8.360 nan 0.000 0.395 304 T N -0.886 113.603 114.554 -0.109 0.000 2.788 304 T HA 0.038 4.388 4.350 -0.000 0.000 0.280 304 T C 1.491 176.147 174.700 -0.072 0.000 0.984 304 T CA -0.218 61.845 62.100 -0.063 0.000 0.972 304 T CB 1.174 70.008 68.868 -0.057 0.000 1.039 304 T HN 0.442 nan 8.240 nan 0.000 0.530 305 S N -0.548 115.125 115.700 -0.044 0.000 2.419 305 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 305 S C 0.840 175.408 174.600 -0.053 0.000 1.019 305 S CA 0.369 58.545 58.200 -0.039 0.000 0.982 305 S CB -0.742 62.444 63.200 -0.023 0.000 0.789 305 S HN 0.602 nan 8.310 nan 0.000 0.490 306 V N 4.484 124.359 119.914 -0.066 0.000 2.368 306 V HA 0.326 4.446 4.120 -0.000 0.000 0.266 306 V C -2.353 173.672 176.094 -0.117 0.000 1.045 306 V CA -2.039 60.219 62.300 -0.071 0.000 0.899 306 V CB 0.512 32.302 31.823 -0.056 0.000 1.006 306 V HN 0.198 nan 8.190 nan 0.000 0.470 307 P HA 0.146 nan 4.420 nan 0.000 0.262 307 P C 1.038 178.245 177.300 -0.155 0.000 1.182 307 P CA 1.494 64.513 63.100 -0.135 0.000 0.761 307 P CB 0.536 32.192 31.700 -0.073 0.000 0.795 308 G N 1.279 109.922 108.800 -0.262 0.000 2.195 308 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 308 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 308 G C -0.065 174.696 174.900 -0.231 0.000 0.984 308 G CA -0.139 44.854 45.100 -0.179 0.000 0.633 308 G HN 0.535 nan 8.290 nan 0.000 0.525 309 V N 1.662 121.363 119.914 -0.355 0.000 2.350 309 V HA 0.626 4.745 4.120 -0.000 0.000 0.285 309 V C -0.434 175.474 176.094 -0.311 0.000 1.014 309 V CA -1.014 61.162 62.300 -0.207 0.000 0.831 309 V CB 0.736 32.498 31.823 -0.101 0.000 1.000 309 V HN 0.265 nan 8.190 nan 0.000 0.433 310 Y N 2.643 122.948 120.300 0.007 0.000 2.387 310 Y HA 0.786 5.336 4.550 -0.000 0.000 0.336 310 Y C 0.459 176.361 175.900 0.004 0.000 1.067 310 Y CA -0.798 57.307 58.100 0.010 0.000 1.114 310 Y CB 1.734 40.204 38.460 0.016 0.000 1.208 310 Y HN 0.650 nan 8.280 nan 0.000 0.458 311 A N 4.234 127.142 122.820 0.147 0.000 2.342 311 A HA 0.910 5.230 4.320 -0.000 0.000 0.323 311 A C -0.590 177.039 177.584 0.076 0.000 1.125 311 A CA -0.577 51.511 52.037 0.084 0.000 0.785 311 A CB 0.602 19.633 19.000 0.052 0.000 1.221 311 A HN 0.830 nan 8.150 nan 0.000 0.463 312 I N -1.460 119.139 120.570 0.048 0.000 3.509 312 I HA 0.925 5.095 4.170 -0.000 0.000 0.311 312 I C 0.725 176.845 176.117 0.006 0.000 1.178 312 I CA -0.578 60.735 61.300 0.021 0.000 0.963 312 I CB 1.182 39.192 38.000 0.016 0.000 1.352 312 I HN 1.500 nan 8.210 nan 0.000 0.482 313 G N 1.367 110.154 108.800 -0.021 0.000 2.581 313 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.291 313 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.291 313 G C 0.148 175.057 174.900 0.014 0.000 1.277 313 G CA 0.931 46.015 45.100 -0.027 0.000 0.959 313 G HN 0.876 nan 8.290 nan 0.000 0.554 314 D N 0.409 120.827 120.400 0.030 0.000 2.218 314 D HA 0.136 4.776 4.640 -0.000 0.000 0.204 314 D C 2.648 179.034 176.300 0.143 0.000 0.976 314 D CA 1.882 55.942 54.000 0.099 0.000 0.853 314 D CB -0.622 40.214 40.800 0.060 0.000 0.939 314 D HN 0.803 nan 8.370 nan 0.000 0.481 315 A N 0.413 123.267 122.820 0.056 0.000 2.066 315 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 315 A C 2.175 179.826 177.584 0.112 0.000 1.157 315 A CA 1.484 53.529 52.037 0.013 0.000 0.670 315 A CB -0.185 18.807 19.000 -0.014 0.000 0.804 315 A HN 0.224 nan 8.150 nan 0.000 0.453 316 A N -0.215 122.693 122.820 0.147 0.000 1.887 316 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 316 A C 1.069 178.776 177.584 0.205 0.000 1.198 316 A CA 1.064 53.184 52.037 0.139 0.000 0.628 316 A CB 0.053 19.082 19.000 0.048 0.000 0.847 316 A HN 0.749 nan 8.150 nan 0.000 0.449 317 R N -3.034 117.573 120.500 0.178 0.000 3.062 317 R HA 0.330 4.670 4.340 -0.000 0.000 0.279 317 R C -3.730 172.451 176.300 -0.199 0.000 1.003 317 R CA -1.325 54.687 56.100 -0.147 0.000 0.872 317 R CB 0.036 30.216 30.300 -0.200 0.000 1.280 317 R HN -0.072 nan 8.270 nan 0.000 0.516 318 P HA 0.317 nan 4.420 nan 0.000 0.278 318 P C -2.422 174.772 177.300 -0.176 0.000 1.266 318 P CA -1.354 61.613 63.100 -0.221 0.000 0.807 318 P CB 0.224 31.753 31.700 -0.284 0.000 1.094 319 P HA 0.097 nan 4.420 nan 0.000 0.271 319 P C -0.538 176.737 177.300 -0.041 0.000 1.216 319 P CA 0.232 63.304 63.100 -0.047 0.000 0.776 319 P CB 0.463 32.162 31.700 -0.001 0.000 0.881 320 L N 3.630 124.855 121.223 0.003 0.000 2.384 320 L HA 0.278 4.618 4.340 -0.000 0.000 0.258 320 L C 0.272 177.134 176.870 -0.013 0.000 1.266 320 L CA -0.004 54.848 54.840 0.019 0.000 1.162 320 L CB -0.991 41.111 42.059 0.072 0.000 1.375 320 L HN 0.207 nan 8.230 nan 0.000 0.420 321 L N 0.262 121.431 121.223 -0.089 0.000 2.370 321 L HA 0.588 4.928 4.340 -0.000 0.000 0.266 321 L C 1.100 177.821 176.870 -0.248 0.000 1.002 321 L CA -0.504 54.229 54.840 -0.178 0.000 0.818 321 L CB 1.920 43.763 42.059 -0.361 0.000 1.325 321 L HN 0.367 nan 8.230 nan 0.000 0.418 322 A N 0.979 123.696 122.820 -0.172 0.000 1.855 322 A HA -0.168 4.151 4.320 -0.000 0.000 0.215 322 A C 2.059 179.540 177.584 -0.171 0.000 1.191 322 A CA 1.630 53.596 52.037 -0.118 0.000 0.613 322 A CB -0.861 18.140 19.000 0.000 0.000 0.829 322 A HN 0.962 nan 8.150 nan 0.000 0.442 323 H N -0.007 119.038 119.070 -0.042 0.000 2.422 323 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 323 H C 1.833 177.142 175.328 -0.032 0.000 1.098 323 H CA 1.612 57.624 56.048 -0.060 0.000 1.315 323 H CB -0.600 29.155 29.762 -0.013 0.000 1.382 323 H HN 0.630 nan 8.280 nan 0.000 0.523 324 K N 1.647 121.864 120.400 -0.305 0.000 2.025 324 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 324 K C 2.544 179.122 176.600 -0.035 0.000 1.049 324 K CA 1.165 57.418 56.287 -0.056 0.000 0.933 324 K CB -0.201 32.219 32.500 -0.133 0.000 0.714 324 K HN 0.222 nan 8.250 nan 0.000 0.438 325 A N 1.487 124.228 122.820 -0.132 0.000 1.940 325 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 325 A C 2.170 179.655 177.584 -0.165 0.000 1.176 325 A CA 1.882 53.845 52.037 -0.123 0.000 0.631 325 A CB -0.535 18.383 19.000 -0.136 0.000 0.814 325 A HN 0.413 nan 8.150 nan 0.000 0.446 326 M N -1.596 117.832 119.600 -0.287 0.000 2.117 326 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 326 M C 2.341 178.526 176.300 -0.191 0.000 1.065 326 M CA 1.973 56.956 55.300 -0.528 0.000 1.114 326 M CB -0.279 31.828 32.600 -0.822 0.000 1.361 326 M HN 0.359 nan 8.290 nan 0.000 0.408 327 R N 0.949 121.413 120.500 -0.060 0.000 2.090 327 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 327 R C 1.659 178.041 176.300 0.136 0.000 1.110 327 R CA 1.586 57.697 56.100 0.019 0.000 0.973 327 R CB -0.373 29.918 30.300 -0.015 0.000 0.869 327 R HN 0.410 nan 8.270 nan 0.000 0.440 328 E N -1.051 119.264 120.200 0.192 0.000 2.153 328 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 328 E C 1.765 178.410 176.600 0.075 0.000 0.988 328 E CA 1.065 57.571 56.400 0.176 0.000 0.811 328 E CB -0.179 29.556 29.700 0.059 0.000 0.746 328 E HN 0.587 nan 8.360 nan 0.000 0.466 329 G N 1.511 110.326 108.800 0.024 0.000 2.414 329 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 329 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 329 G C 1.586 176.489 174.900 0.006 0.000 1.188 329 G CA 0.415 45.518 45.100 0.005 0.000 0.783 329 G HN 0.086 nan 8.290 nan 0.000 0.537 330 L N 0.435 121.678 121.223 0.034 0.000 2.079 330 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 330 L C 2.815 179.684 176.870 -0.002 0.000 1.081 330 L CA 0.505 55.355 54.840 0.017 0.000 0.752 330 L CB -0.529 41.546 42.059 0.026 0.000 0.896 330 L HN 0.138 nan 8.230 nan 0.000 0.433 331 I N 0.501 121.091 120.570 0.033 0.000 2.110 331 I HA -0.225 3.945 4.170 -0.000 0.000 0.236 331 I C 2.931 179.014 176.117 -0.057 0.000 1.068 331 I CA 1.665 62.991 61.300 0.044 0.000 1.333 331 I CB -1.593 36.498 38.000 0.152 0.000 1.054 331 I HN 0.168 nan 8.210 nan 0.000 0.402 332 A N 0.968 123.732 122.820 -0.093 0.000 1.948 332 A HA -0.214 4.105 4.320 -0.000 0.000 0.220 332 A C 2.548 179.776 177.584 -0.594 0.000 1.177 332 A CA 2.458 54.280 52.037 -0.358 0.000 0.636 332 A CB -0.871 18.023 19.000 -0.178 0.000 0.815 332 A HN 0.475 nan 8.150 nan 0.000 0.449 333 A N -0.259 122.389 122.820 -0.287 0.000 1.845 333 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 333 A C 1.882 179.348 177.584 -0.196 0.000 1.195 333 A CA 1.639 53.541 52.037 -0.224 0.000 0.616 333 A CB -0.731 18.205 19.000 -0.107 0.000 0.832 333 A HN 0.606 nan 8.150 nan 0.000 0.443 334 E N 0.069 120.195 120.200 -0.122 0.000 2.171 334 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 334 E C 1.380 177.936 176.600 -0.073 0.000 0.997 334 E CA 1.232 57.591 56.400 -0.069 0.000 0.810 334 E CB -0.229 29.454 29.700 -0.029 0.000 0.738 334 E HN 0.509 nan 8.360 nan 0.000 0.467 335 N N -0.205 118.415 118.700 -0.134 0.000 2.494 335 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 335 N C 1.145 176.639 175.510 -0.026 0.000 1.076 335 N CA 0.822 53.843 53.050 -0.050 0.000 0.908 335 N CB 0.254 38.764 38.487 0.039 0.000 0.967 335 N HN 0.147 nan 8.380 nan 0.000 0.449 336 A N 0.241 122.946 122.820 -0.192 0.000 1.973 336 A HA 0.343 4.663 4.320 -0.000 0.000 0.210 336 A C 1.931 179.523 177.584 0.013 0.000 1.200 336 A CA 0.740 52.751 52.037 -0.043 0.000 0.707 336 A CB -0.176 18.736 19.000 -0.147 0.000 0.862 336 A HN 0.181 nan 8.150 nan 0.000 0.461 337 A N -1.235 121.571 122.820 -0.022 0.000 2.261 337 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 337 A C 1.735 179.329 177.584 0.017 0.000 1.223 337 A CA 1.264 53.302 52.037 0.002 0.000 0.833 337 A CB -1.037 17.957 19.000 -0.011 0.000 0.830 337 A HN 1.766 nan 8.150 nan 0.000 0.483 338 G N -0.653 108.165 108.800 0.031 0.000 2.284 338 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.230 338 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.230 338 G C 0.576 175.498 174.900 0.036 0.000 1.021 338 G CA 0.319 45.443 45.100 0.040 0.000 0.619 338 G HN 0.574 nan 8.290 nan 0.000 0.510 339 K N 0.541 120.955 120.400 0.023 0.000 2.185 339 K HA 0.361 4.681 4.320 -0.000 0.000 0.245 339 K C -0.436 176.185 176.600 0.036 0.000 1.035 339 K CA 0.707 57.008 56.287 0.023 0.000 0.847 339 K CB 0.209 32.717 32.500 0.014 0.000 1.056 339 K HN 0.183 nan 8.250 nan 0.000 0.518 340 D N 0.265 120.686 120.400 0.035 0.000 2.443 340 D HA 0.157 4.797 4.640 -0.000 0.000 0.281 340 D C -1.344 174.982 176.300 0.043 0.000 1.210 340 D CA -0.147 53.880 54.000 0.044 0.000 0.875 340 D CB 0.450 41.273 40.800 0.038 0.000 1.125 340 D HN 0.271 nan 8.370 nan 0.000 0.503 341 S N 0.711 116.442 115.700 0.051 0.000 2.608 341 S HA 0.954 5.423 4.470 -0.000 0.000 0.291 341 S C -0.438 174.211 174.600 0.082 0.000 1.146 341 S CA -0.681 57.556 58.200 0.060 0.000 1.043 341 S CB 1.756 64.993 63.200 0.062 0.000 1.037 341 S HN 0.531 nan 8.310 nan 0.000 0.520 342 A N 1.234 124.103 122.820 0.082 0.000 2.556 342 A HA 0.752 5.072 4.320 -0.000 0.000 0.294 342 A C -1.619 176.040 177.584 0.125 0.000 1.091 342 A CA -0.645 51.455 52.037 0.105 0.000 0.704 342 A CB 0.851 19.885 19.000 0.056 0.000 1.300 342 A HN 0.665 nan 8.150 nan 0.000 0.406 343 F N 2.636 122.614 119.950 0.046 0.000 2.390 343 F HA 0.468 4.995 4.527 -0.000 0.000 0.361 343 F C -0.024 175.721 175.800 -0.092 0.000 1.124 343 F CA -0.618 57.429 58.000 0.079 0.000 1.149 343 F CB 1.058 40.133 39.000 0.126 0.000 1.160 343 F HN 0.548 nan 8.300 nan 0.000 0.501 344 D N 3.437 123.571 120.400 -0.442 0.000 2.865 344 D HA 0.096 4.736 4.640 -0.000 0.000 0.347 344 D C -0.950 175.027 176.300 -0.538 0.000 1.498 344 D CA -0.142 53.657 54.000 -0.335 0.000 0.787 344 D CB -1.016 39.578 40.800 -0.343 0.000 1.190 344 D HN 0.292 nan 8.370 nan 0.000 0.445 348 V N 3.932 123.962 119.914 0.194 0.000 2.349 348 V HA 0.454 4.574 4.120 -0.000 0.000 0.284 348 V C -1.936 174.274 176.094 0.195 0.000 1.014 348 V CA -1.177 61.267 62.300 0.239 0.000 0.826 348 V CB 1.549 33.544 31.823 0.286 0.000 1.009 348 V HN 0.536 nan 8.190 nan 0.000 0.431 349 P HA 0.457 nan 4.420 nan 0.000 0.278 349 P C -0.692 176.747 177.300 0.232 0.000 1.258 349 P CA -0.283 62.870 63.100 0.089 0.000 0.811 349 P CB 1.601 33.271 31.700 -0.050 0.000 1.063 350 S N -0.306 115.517 115.700 0.206 0.000 2.541 350 S HA 0.682 5.152 4.470 -0.000 0.000 0.280 350 S C -0.716 174.046 174.600 0.271 0.000 1.112 350 S CA -0.688 57.698 58.200 0.309 0.000 0.925 350 S CB 1.267 64.683 63.200 0.360 0.000 1.067 350 S HN 0.243 nan 8.310 nan 0.000 0.479 351 V N 1.616 121.668 119.914 0.229 0.000 2.876 351 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 351 V C -0.878 175.268 176.094 0.086 0.000 1.085 351 V CA -0.755 61.585 62.300 0.067 0.000 0.945 351 V CB 2.120 33.772 31.823 -0.284 0.000 1.017 351 V HN 0.874 nan 8.190 nan 0.000 0.428 352 V N 3.371 123.325 119.914 0.067 0.000 2.409 352 V HA 0.344 4.463 4.120 -0.000 0.000 0.291 352 V C -0.642 175.423 176.094 -0.048 0.000 1.020 352 V CA -0.458 61.907 62.300 0.109 0.000 0.848 352 V CB 1.440 33.358 31.823 0.158 0.000 0.990 352 V HN 0.854 nan 8.190 nan 0.000 0.430 353 Y N 2.332 122.711 120.300 0.132 0.000 2.547 353 Y HA 0.123 4.673 4.550 -0.000 0.000 0.325 353 Y C 1.759 177.718 175.900 0.099 0.000 1.165 353 Y CA -0.387 57.780 58.100 0.111 0.000 1.300 353 Y CB -0.536 37.983 38.460 0.098 0.000 1.126 353 Y HN 0.757 nan 8.280 nan 0.000 0.513 354 T N -2.956 111.696 114.554 0.164 0.000 2.732 354 T HA 0.357 4.707 4.350 -0.000 0.000 0.287 354 T C 0.336 175.094 174.700 0.096 0.000 0.993 354 T CA -0.824 61.348 62.100 0.120 0.000 0.966 354 T CB 1.152 70.074 68.868 0.090 0.000 1.047 354 T HN 0.065 nan 8.240 nan 0.000 0.527 355 S N 2.881 118.616 115.700 0.058 0.000 2.640 355 S HA 0.465 4.934 4.470 -0.000 0.000 0.320 355 S C -2.400 172.217 174.600 0.029 0.000 1.097 355 S CA -1.001 57.226 58.200 0.045 0.000 1.092 355 S CB 1.213 64.428 63.200 0.025 0.000 0.988 355 S HN 0.686 nan 8.310 nan 0.000 0.470 356 P HA 0.204 nan 4.420 nan 0.000 0.272 356 P C -0.525 176.825 177.300 0.084 0.000 1.230 356 P CA -0.405 62.736 63.100 0.069 0.000 0.788 356 P CB 0.797 32.541 31.700 0.074 0.000 0.949 357 E N 0.155 120.395 120.200 0.067 0.000 2.345 357 E HA 0.267 4.617 4.350 -0.000 0.000 0.259 357 E C -0.938 175.733 176.600 0.119 0.000 1.117 357 E CA -0.240 56.195 56.400 0.057 0.000 0.913 357 E CB 0.839 30.518 29.700 -0.036 0.000 1.057 357 E HN 0.483 nan 8.360 nan 0.000 0.432 358 W N 0.322 121.582 121.300 -0.066 0.000 2.819 358 W HA 0.579 5.239 4.660 -0.000 0.000 0.337 358 W C -1.546 174.942 176.519 -0.051 0.000 1.077 358 W CA -0.357 56.973 57.345 -0.024 0.000 1.226 358 W CB 1.549 31.013 29.460 0.007 0.000 1.419 358 W HN 0.536 nan 8.180 nan 0.000 0.502 359 A N 3.170 125.497 122.820 -0.821 0.000 2.594 359 A HA 0.891 5.211 4.320 -0.000 0.000 0.295 359 A C -0.923 175.938 177.584 -1.206 0.000 1.071 359 A CA -0.292 51.307 52.037 -0.730 0.000 0.685 359 A CB 1.281 20.052 19.000 -0.382 0.000 1.285 359 A HN 1.319 nan 8.150 nan 0.000 0.405 360 G N -0.996 107.352 108.800 -0.753 0.000 2.698 360 G HA2 0.748 4.708 3.960 -0.000 0.000 0.293 360 G HA3 0.748 4.708 3.960 -0.000 0.000 0.293 360 G C -1.837 172.839 174.900 -0.374 0.000 1.437 360 G CA -0.021 44.690 45.100 -0.649 0.000 0.852 360 G HN 1.983 nan 8.290 nan 0.000 0.499 361 V N 0.039 119.595 119.914 -0.596 0.000 3.077 361 V HA 0.855 4.975 4.120 -0.000 0.000 0.299 361 V C 0.557 176.453 176.094 -0.330 0.000 1.276 361 V CA 1.375 63.505 62.300 -0.284 0.000 0.993 361 V CB 1.543 33.241 31.823 -0.208 0.000 1.076 361 V HN 2.890 nan 8.190 nan 0.000 0.434 362 G N 4.087 112.829 108.800 -0.097 0.000 2.615 362 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 362 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 362 G C -0.846 174.114 174.900 0.100 0.000 1.339 362 G CA -0.198 44.876 45.100 -0.043 0.000 0.884 362 G HN 1.338 nan 8.290 nan 0.000 0.559 363 L N 1.497 122.789 121.223 0.115 0.000 2.350 363 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 363 L C 1.656 178.746 176.870 0.367 0.000 1.099 363 L CA -0.215 54.746 54.840 0.203 0.000 0.808 363 L CB 1.257 43.373 42.059 0.095 0.000 1.149 363 L HN 1.014 nan 8.230 nan 0.000 0.442 364 T N -2.070 112.656 114.554 0.287 0.000 2.788 364 T HA 0.124 4.474 4.350 -0.000 0.000 0.287 364 T C 0.926 175.682 174.700 0.093 0.000 1.007 364 T CA -0.612 61.544 62.100 0.093 0.000 1.005 364 T CB 1.094 69.910 68.868 -0.086 0.000 1.012 364 T HN 0.654 nan 8.240 nan 0.000 0.530 365 E N 0.003 120.223 120.200 0.034 0.000 2.085 365 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 365 E C 2.123 178.756 176.600 0.055 0.000 0.994 365 E CA 1.268 57.702 56.400 0.056 0.000 0.801 365 E CB -0.054 29.664 29.700 0.030 0.000 0.743 365 E HN 0.795 nan 8.360 nan 0.000 0.453 366 E N 1.324 121.543 120.200 0.031 0.000 2.038 366 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 366 E C 1.754 178.392 176.600 0.063 0.000 1.000 366 E CA 1.478 57.901 56.400 0.037 0.000 0.803 366 E CB 0.003 29.714 29.700 0.017 0.000 0.750 366 E HN 0.328 nan 8.360 nan 0.000 0.448 367 E N 0.262 120.507 120.200 0.074 0.000 2.110 367 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 367 E C 2.055 178.737 176.600 0.136 0.000 0.988 367 E CA 1.006 57.464 56.400 0.097 0.000 0.804 367 E CB -0.170 29.593 29.700 0.106 0.000 0.745 367 E HN 0.362 nan 8.360 nan 0.000 0.458 368 A N 1.703 124.607 122.820 0.140 0.000 1.898 368 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 368 A C 1.946 179.676 177.584 0.242 0.000 1.181 368 A CA 1.364 53.519 52.037 0.197 0.000 0.620 368 A CB -0.206 18.859 19.000 0.109 0.000 0.819 368 A HN 0.043 nan 8.150 nan 0.000 0.442 369 K N -0.759 119.730 120.400 0.148 0.000 2.057 369 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 369 K C 2.366 179.022 176.600 0.094 0.000 1.050 369 K CA 1.201 57.557 56.287 0.115 0.000 0.935 369 K CB -0.187 32.358 32.500 0.075 0.000 0.715 369 K HN 0.317 nan 8.250 nan 0.000 0.439 370 R N 0.607 121.158 120.500 0.085 0.000 2.091 370 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 370 R C 2.167 178.501 176.300 0.057 0.000 1.136 370 R CA 1.366 57.503 56.100 0.061 0.000 0.959 370 R CB -0.285 30.050 30.300 0.057 0.000 0.856 370 R HN 0.186 nan 8.270 nan 0.000 0.437 371 A N -0.331 122.549 122.820 0.100 0.000 2.216 371 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 371 A C 1.321 178.859 177.584 -0.076 0.000 1.160 371 A CA 1.194 53.270 52.037 0.065 0.000 0.725 371 A CB -0.323 18.811 19.000 0.224 0.000 0.784 371 A HN 0.565 nan 8.150 nan 0.000 0.472 372 G N -2.901 105.885 108.800 -0.023 0.000 2.132 372 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.234 372 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.234 372 G C -0.025 174.805 174.900 -0.116 0.000 0.989 372 G CA 0.217 45.268 45.100 -0.082 0.000 0.676 372 G HN 0.459 nan 8.290 nan 0.000 0.522 373 Y N 0.355 120.678 120.300 0.038 0.000 2.300 373 Y HA 0.474 5.024 4.550 -0.000 0.000 0.328 373 Y C 1.296 177.223 175.900 0.046 0.000 1.270 373 Y CA -0.289 57.838 58.100 0.046 0.000 1.352 373 Y CB 0.662 39.157 38.460 0.058 0.000 1.286 373 Y HN -0.120 nan 8.280 nan 0.000 0.536 374 K N 2.403 122.939 120.400 0.228 0.000 2.187 374 K HA 0.183 4.502 4.320 -0.000 0.000 0.242 374 K C -0.894 175.795 176.600 0.148 0.000 1.179 374 K CA -0.159 56.211 56.287 0.140 0.000 1.097 374 K CB -0.294 32.272 32.500 0.109 0.000 1.634 374 K HN 0.363 nan 8.250 nan 0.000 0.335 375 V N 2.480 122.478 119.914 0.140 0.000 2.617 375 V HA -0.029 4.091 4.120 -0.000 0.000 0.304 375 V C 0.610 176.740 176.094 0.059 0.000 1.040 375 V CA 0.489 62.861 62.300 0.119 0.000 1.149 375 V CB 0.084 31.971 31.823 0.107 0.000 0.914 375 V HN 0.518 nan 8.190 nan 0.000 0.487 376 K N 3.694 124.136 120.400 0.070 0.000 2.498 376 K HA 0.749 5.069 4.320 -0.000 0.000 0.254 376 K C -1.286 175.342 176.600 0.048 0.000 0.933 376 K CA -0.683 55.541 56.287 -0.105 0.000 0.806 376 K CB 2.388 34.599 32.500 -0.481 0.000 1.301 376 K HN 0.573 nan 8.250 nan 0.000 0.432 377 V N -0.670 119.233 119.914 -0.018 0.000 2.914 377 V HA 0.953 5.073 4.120 -0.000 0.000 0.314 377 V C -0.470 175.704 176.094 0.133 0.000 1.084 377 V CA -0.514 61.873 62.300 0.146 0.000 0.963 377 V CB 1.737 33.619 31.823 0.099 0.000 1.025 377 V HN 0.799 nan 8.190 nan 0.000 0.432 378 G N 2.199 111.142 108.800 0.237 0.000 2.590 378 G HA2 0.718 4.677 3.960 -0.000 0.000 0.310 378 G HA3 0.718 4.677 3.960 -0.000 0.000 0.310 378 G C -1.163 173.825 174.900 0.146 0.000 1.347 378 G CA -0.938 44.278 45.100 0.192 0.000 0.963 378 G HN 0.854 nan 8.290 nan 0.000 0.494 379 K N 0.733 121.212 120.400 0.132 0.000 2.371 379 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 379 K C -1.967 174.743 176.600 0.184 0.000 0.934 379 K CA -0.792 55.572 56.287 0.129 0.000 0.798 379 K CB 3.014 35.559 32.500 0.076 0.000 1.204 379 K HN 0.378 nan 8.250 nan 0.000 0.427 380 F N 4.270 124.235 119.950 0.025 0.000 2.579 380 F HA 0.339 4.866 4.527 -0.000 0.000 0.325 380 F C -2.565 173.248 175.800 0.021 0.000 1.162 380 F CA -2.053 55.961 58.000 0.024 0.000 0.946 380 F CB 1.711 40.721 39.000 0.016 0.000 1.211 380 F HN 0.296 nan 8.300 nan 0.000 0.447 381 P HA 0.193 nan 4.420 nan 0.000 0.285 381 P C 0.574 177.672 177.300 -0.337 0.000 1.259 381 P CA -0.227 62.687 63.100 -0.310 0.000 0.794 381 P CB 1.832 33.373 31.700 -0.265 0.000 0.940 382 L N 2.490 123.669 121.223 -0.073 0.000 2.353 382 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 382 L C 2.449 179.307 176.870 -0.019 0.000 1.133 382 L CA 1.278 56.132 54.840 0.022 0.000 0.798 382 L CB -0.806 41.286 42.059 0.055 0.000 0.922 382 L HN 0.402 nan 8.230 nan 0.000 0.445 383 A N 0.288 123.064 122.820 -0.074 0.000 2.070 383 A HA -0.043 4.276 4.320 -0.000 0.000 0.220 383 A C 2.092 179.637 177.584 -0.066 0.000 1.159 383 A CA 1.533 53.537 52.037 -0.054 0.000 0.656 383 A CB -0.336 18.627 19.000 -0.061 0.000 0.800 383 A HN 0.377 nan 8.150 nan 0.000 0.453 384 A N -0.628 122.104 122.820 -0.147 0.000 2.507 384 A HA 0.482 4.802 4.320 -0.000 0.000 0.270 384 A C 0.801 178.436 177.584 0.084 0.000 1.318 384 A CA 0.522 52.499 52.037 -0.101 0.000 0.924 384 A CB -0.400 18.429 19.000 -0.285 0.000 1.061 384 A HN 0.400 nan 8.150 nan 0.000 0.516 385 S N -0.584 115.178 115.700 0.104 0.000 2.438 385 S HA 0.482 4.952 4.470 -0.000 0.000 0.316 385 S C 1.423 176.048 174.600 0.043 0.000 1.084 385 S CA 0.070 58.365 58.200 0.159 0.000 1.107 385 S CB 0.994 64.312 63.200 0.197 0.000 0.981 385 S HN 0.512 nan 8.310 nan 0.000 0.466 386 G N 4.652 113.448 108.800 -0.006 0.000 2.491 386 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 386 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 386 G C 1.464 176.333 174.900 -0.052 0.000 1.180 386 G CA 0.946 46.024 45.100 -0.036 0.000 0.774 386 G HN 0.667 nan 8.290 nan 0.000 0.562 387 R N 1.279 121.730 120.500 -0.083 0.000 2.091 387 R HA 0.053 4.393 4.340 -0.000 0.000 0.238 387 R C 2.778 179.068 176.300 -0.016 0.000 1.136 387 R CA 1.893 57.950 56.100 -0.071 0.000 0.959 387 R CB -1.068 29.184 30.300 -0.079 0.000 0.856 387 R HN 0.269 nan 8.270 nan 0.000 0.437 388 A N 0.173 123.000 122.820 0.012 0.000 1.940 388 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 388 A C 2.074 179.682 177.584 0.041 0.000 1.176 388 A CA 1.486 53.543 52.037 0.035 0.000 0.631 388 A CB -0.628 18.401 19.000 0.049 0.000 0.814 388 A HN 0.338 nan 8.150 nan 0.000 0.446 389 L N 0.338 121.579 121.223 0.030 0.000 2.093 389 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 389 L C 2.861 179.755 176.870 0.041 0.000 1.085 389 L CA 2.592 57.454 54.840 0.037 0.000 0.755 389 L CB -0.827 41.247 42.059 0.025 0.000 0.904 389 L HN 0.615 nan 8.230 nan 0.000 0.435 390 T N -3.578 110.985 114.554 0.016 0.000 2.962 390 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 390 T C 1.617 176.332 174.700 0.026 0.000 1.088 390 T CA 1.023 63.125 62.100 0.004 0.000 1.127 390 T CB -0.471 68.379 68.868 -0.030 0.000 0.883 390 T HN 0.322 nan 8.240 nan 0.000 0.493 391 L N 0.700 121.955 121.223 0.053 0.000 2.611 391 L HA 0.441 4.781 4.340 -0.000 0.000 0.229 391 L C 1.749 178.738 176.870 0.199 0.000 1.137 391 L CA 0.065 54.961 54.840 0.092 0.000 0.901 391 L CB -0.703 41.388 42.059 0.054 0.000 1.098 391 L HN 0.665 nan 8.230 nan 0.000 0.456 392 G N 0.145 109.053 108.800 0.181 0.000 2.662 392 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 392 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 392 G C 0.357 175.341 174.900 0.140 0.000 1.212 392 G CA -0.495 44.730 45.100 0.208 0.000 0.968 392 G HN 0.385 nan 8.290 nan 0.000 0.576 393 G N 0.802 109.688 108.800 0.143 0.000 2.225 393 G HA2 0.568 4.528 3.960 -0.000 0.000 0.245 393 G HA3 0.568 4.528 3.960 -0.000 0.000 0.245 393 G C 0.365 175.319 174.900 0.090 0.000 1.249 393 G CA 1.154 46.316 45.100 0.104 0.000 0.919 393 G HN 2.005 nan 8.290 nan 0.000 0.486 394 A N 2.858 125.717 122.820 0.065 0.000 2.801 394 A HA 0.617 4.937 4.320 -0.000 0.000 0.344 394 A C -0.010 177.598 177.584 0.041 0.000 1.322 394 A CA -0.518 51.550 52.037 0.052 0.000 0.913 394 A CB 0.622 19.646 19.000 0.040 0.000 1.140 394 A HN 0.614 nan 8.150 nan 0.000 0.487 395 E N 0.894 121.123 120.200 0.049 0.000 2.222 395 E HA 0.715 5.064 4.350 -0.000 0.000 0.267 395 E C 0.270 176.897 176.600 0.044 0.000 0.884 395 E CA 0.673 57.097 56.400 0.041 0.000 0.764 395 E CB 1.661 31.390 29.700 0.049 0.000 1.169 395 E HN 1.259 nan 8.360 nan 0.000 0.413 396 G N 1.996 110.818 108.800 0.036 0.000 2.315 396 G HA2 0.320 4.280 3.960 -0.000 0.000 0.296 396 G HA3 0.320 4.280 3.960 -0.000 0.000 0.296 396 G C -1.124 173.797 174.900 0.034 0.000 1.289 396 G CA -0.282 44.844 45.100 0.044 0.000 0.996 396 G HN 0.975 nan 8.290 nan 0.000 0.487 397 M N -2.396 117.232 119.600 0.046 0.000 2.853 397 M HA 0.732 5.212 4.480 -0.000 0.000 0.273 397 M C -1.869 174.470 176.300 0.064 0.000 1.128 397 M CA -1.088 54.245 55.300 0.055 0.000 0.814 397 M CB 1.809 34.433 32.600 0.039 0.000 1.667 397 M HN 1.012 nan 8.290 nan 0.000 0.519 398 V N 1.763 121.737 119.914 0.099 0.000 2.487 398 V HA 0.670 4.790 4.120 -0.000 0.000 0.298 398 V C -0.881 175.268 176.094 0.091 0.000 1.028 398 V CA -0.433 61.909 62.300 0.070 0.000 0.860 398 V CB 1.893 33.755 31.823 0.065 0.000 0.991 398 V HN 0.826 nan 8.190 nan 0.000 0.427 399 K N 4.203 124.655 120.400 0.086 0.000 2.426 399 K HA 0.756 5.075 4.320 -0.000 0.000 0.254 399 K C -1.042 175.625 176.600 0.112 0.000 0.936 399 K CA -0.576 55.783 56.287 0.121 0.000 0.801 399 K CB 2.059 34.651 32.500 0.154 0.000 1.139 399 K HN 0.603 nan 8.250 nan 0.000 0.424 400 V N 1.149 121.119 119.914 0.092 0.000 2.483 400 V HA 0.689 4.808 4.120 -0.000 0.000 0.295 400 V C -0.697 175.467 176.094 0.117 0.000 1.035 400 V CA -0.749 61.576 62.300 0.041 0.000 0.896 400 V CB 1.586 33.377 31.823 -0.055 0.000 0.986 400 V HN 0.430 nan 8.190 nan 0.000 0.447 401 V N 4.114 124.081 119.914 0.088 0.000 2.448 401 V HA 0.957 5.077 4.120 -0.000 0.000 0.295 401 V C 0.709 176.833 176.094 0.050 0.000 1.025 401 V CA 0.526 62.906 62.300 0.134 0.000 0.859 401 V CB 1.042 32.962 31.823 0.163 0.000 0.988 401 V HN 1.385 nan 8.190 nan 0.000 0.431 402 G N 2.158 111.059 108.800 0.169 0.000 2.727 402 G HA2 0.495 4.455 3.960 -0.000 0.000 0.289 402 G HA3 0.495 4.455 3.960 -0.000 0.000 0.289 402 G C -1.908 173.111 174.900 0.198 0.000 1.418 402 G CA -0.407 44.731 45.100 0.064 0.000 0.818 402 G HN 0.529 nan 8.290 nan 0.000 0.486 403 D N -0.301 120.179 120.400 0.133 0.000 2.329 403 D HA 0.144 4.783 4.640 -0.000 0.000 0.232 403 D C 0.943 177.412 176.300 0.281 0.000 1.088 403 D CA -0.330 53.793 54.000 0.206 0.000 0.835 403 D CB 2.082 43.014 40.800 0.220 0.000 1.078 403 D HN 0.551 nan 8.370 nan 0.000 0.495 404 E N 3.091 123.443 120.200 0.252 0.000 2.118 404 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 404 E C 1.263 177.971 176.600 0.180 0.000 0.992 404 E CA 1.164 57.686 56.400 0.205 0.000 0.804 404 E CB 0.314 30.054 29.700 0.067 0.000 0.741 404 E HN 0.631 nan 8.360 nan 0.000 0.458 405 E N -0.727 119.565 120.200 0.153 0.000 2.028 405 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 405 E C 1.999 178.672 176.600 0.122 0.000 0.988 405 E CA 1.887 58.360 56.400 0.121 0.000 0.799 405 E CB 0.051 29.814 29.700 0.104 0.000 0.755 405 E HN 0.408 nan 8.360 nan 0.000 0.447 406 T N -2.561 112.074 114.554 0.136 0.000 3.067 406 T HA 0.004 4.353 4.350 -0.000 0.000 0.257 406 T C 0.732 175.497 174.700 0.109 0.000 1.105 406 T CA 0.848 63.015 62.100 0.111 0.000 1.104 406 T CB 0.184 69.118 68.868 0.111 0.000 0.925 406 T HN 0.255 nan 8.240 nan 0.000 0.498 407 D N -0.930 119.560 120.400 0.149 0.000 3.070 407 D HA -0.134 4.506 4.640 -0.000 0.000 0.210 407 D C -0.442 175.859 176.300 0.002 0.000 1.103 407 D CA 0.252 54.340 54.000 0.147 0.000 0.980 407 D CB -1.814 39.091 40.800 0.175 0.000 1.100 407 D HN 0.460 nan 8.370 nan 0.000 0.423 408 L N 0.748 121.976 121.223 0.008 0.000 2.416 408 L HA 0.378 4.718 4.340 -0.000 0.000 0.272 408 L C 0.159 176.951 176.870 -0.130 0.000 1.161 408 L CA -0.210 54.600 54.840 -0.050 0.000 0.845 408 L CB 0.669 42.721 42.059 -0.012 0.000 1.119 408 L HN 0.255 nan 8.230 nan 0.000 0.464 409 L N 5.197 126.324 121.223 -0.160 0.000 2.416 409 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 409 L C 0.316 177.082 176.870 -0.173 0.000 1.161 409 L CA 0.804 55.528 54.840 -0.193 0.000 0.845 409 L CB 0.438 42.392 42.059 -0.176 0.000 1.119 409 L HN 0.721 nan 8.230 nan 0.000 0.464 410 L N 3.944 125.062 121.223 -0.174 0.000 2.766 410 L HA 0.523 4.862 4.340 -0.000 0.000 0.241 410 L C 0.784 177.585 176.870 -0.115 0.000 1.080 410 L CA 0.251 54.980 54.840 -0.186 0.000 0.909 410 L CB 0.312 42.207 42.059 -0.274 0.000 1.277 410 L HN 0.772 nan 8.230 nan 0.000 0.510 411 G N -0.312 108.430 108.800 -0.097 0.000 2.673 411 G HA2 0.583 4.543 3.960 -0.000 0.000 0.292 411 G HA3 0.583 4.543 3.960 -0.000 0.000 0.292 411 G C -1.987 172.767 174.900 -0.243 0.000 1.450 411 G CA -0.327 44.689 45.100 -0.141 0.000 0.837 411 G HN -0.280 nan 8.290 nan 0.000 0.505 412 V N 0.212 119.752 119.914 -0.623 0.000 2.851 412 V HA 0.714 4.834 4.120 -0.000 0.000 0.307 412 V C -1.452 174.038 176.094 -1.006 0.000 1.129 412 V CA -0.687 61.302 62.300 -0.518 0.000 0.932 412 V CB 1.752 33.366 31.823 -0.349 0.000 1.024 412 V HN 0.674 nan 8.190 nan 0.000 0.426 413 F N 4.331 124.179 119.950 -0.171 0.000 2.569 413 F HA 0.763 5.290 4.527 -0.000 0.000 0.312 413 F C -0.251 175.369 175.800 -0.301 0.000 1.109 413 F CA -0.600 57.216 58.000 -0.307 0.000 0.919 413 F CB 1.958 40.851 39.000 -0.179 0.000 1.211 413 F HN 0.202 nan 8.300 nan 0.000 0.446 414 I N 3.300 123.665 120.570 -0.341 0.000 2.619 414 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 414 I C -1.434 174.520 176.117 -0.271 0.000 1.100 414 I CA -1.178 59.978 61.300 -0.239 0.000 1.043 414 I CB 2.383 40.256 38.000 -0.211 0.000 1.239 414 I HN 0.350 nan 8.210 nan 0.000 0.420 415 V N 5.188 125.056 119.914 -0.077 0.000 2.525 415 V HA 1.011 5.131 4.120 -0.000 0.000 0.299 415 V C -0.243 175.871 176.094 0.033 0.000 1.034 415 V CA 0.400 62.716 62.300 0.026 0.000 0.863 415 V CB 1.246 33.160 31.823 0.151 0.000 0.999 415 V HN 1.069 nan 8.190 nan 0.000 0.423 416 G N 6.511 115.332 108.800 0.036 0.000 2.359 416 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 416 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 416 G C -3.512 171.405 174.900 0.029 0.000 1.300 416 G CA -0.331 44.791 45.100 0.038 0.000 0.888 416 G HN 0.660 nan 8.290 nan 0.000 0.541 417 P HA 0.214 nan 4.420 nan 0.000 0.271 417 P C -0.288 177.020 177.300 0.013 0.000 1.218 417 P CA 0.597 63.716 63.100 0.031 0.000 0.780 417 P CB 1.105 32.826 31.700 0.035 0.000 0.901 418 Q N 0.065 119.873 119.800 0.014 0.000 2.481 418 Q HA -0.272 4.068 4.340 -0.000 0.000 0.258 418 Q C 1.331 177.310 176.000 -0.036 0.000 0.961 418 Q CA 1.337 57.140 55.803 0.001 0.000 1.121 418 Q CB -2.794 25.946 28.738 0.004 0.000 1.503 418 Q HN 0.708 nan 8.270 nan 0.000 0.544 419 A N 0.126 122.912 122.820 -0.057 0.000 1.948 419 A HA -0.048 4.271 4.320 -0.000 0.000 0.220 419 A C 2.212 179.710 177.584 -0.143 0.000 1.177 419 A CA 2.188 54.160 52.037 -0.107 0.000 0.636 419 A CB -0.836 18.086 19.000 -0.129 0.000 0.815 419 A HN 0.620 nan 8.150 nan 0.000 0.449 420 G N -0.752 107.954 108.800 -0.157 0.000 2.432 420 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 420 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 420 G C 1.363 176.207 174.900 -0.093 0.000 1.135 420 G CA 0.949 45.944 45.100 -0.175 0.000 0.767 420 G HN 0.523 nan 8.290 nan 0.000 0.550 421 E N 0.338 120.507 120.200 -0.052 0.000 2.158 421 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 421 E C 2.615 179.185 176.600 -0.051 0.000 0.982 421 E CA 0.274 56.654 56.400 -0.032 0.000 0.823 421 E CB -0.140 29.555 29.700 -0.008 0.000 0.766 421 E HN 0.469 nan 8.360 nan 0.000 0.468 422 L N 0.172 121.357 121.223 -0.064 0.000 2.313 422 L HA 0.011 4.350 4.340 -0.000 0.000 0.214 422 L C 2.323 179.136 176.870 -0.096 0.000 1.119 422 L CA 0.144 54.946 54.840 -0.064 0.000 0.809 422 L CB -0.213 41.810 42.059 -0.061 0.000 0.933 422 L HN 0.028 nan 8.230 nan 0.000 0.449 423 I N 0.584 121.075 120.570 -0.133 0.000 2.756 423 I HA -0.144 4.026 4.170 -0.000 0.000 0.262 423 I C 2.460 178.495 176.117 -0.136 0.000 1.225 423 I CA 0.736 61.935 61.300 -0.168 0.000 1.472 423 I CB -0.136 37.734 38.000 -0.217 0.000 1.094 423 I HN 0.122 nan 8.210 nan 0.000 0.454 424 A N -0.341 122.415 122.820 -0.107 0.000 1.930 424 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 424 A C 2.347 179.884 177.584 -0.079 0.000 1.175 424 A CA 1.729 53.711 52.037 -0.092 0.000 0.627 424 A CB -0.640 18.314 19.000 -0.076 0.000 0.815 424 A HN 0.556 nan 8.150 nan 0.000 0.443 425 E N -0.029 120.130 120.200 -0.069 0.000 2.077 425 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 425 E C 2.117 178.677 176.600 -0.066 0.000 0.989 425 E CA 0.989 57.357 56.400 -0.053 0.000 0.800 425 E CB -0.239 29.450 29.700 -0.019 0.000 0.746 425 E HN 0.532 nan 8.360 nan 0.000 0.452 426 A N 1.224 123.988 122.820 -0.093 0.000 1.902 426 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 426 A C 2.389 179.905 177.584 -0.114 0.000 1.181 426 A CA 1.766 53.730 52.037 -0.122 0.000 0.623 426 A CB -0.741 18.150 19.000 -0.181 0.000 0.818 426 A HN 0.415 nan 8.150 nan 0.000 0.443 427 A N -0.358 122.399 122.820 -0.105 0.000 1.877 427 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 427 A C 2.146 179.697 177.584 -0.056 0.000 1.186 427 A CA 1.763 53.753 52.037 -0.078 0.000 0.620 427 A CB -0.684 18.273 19.000 -0.071 0.000 0.822 427 A HN 0.789 nan 8.150 nan 0.000 0.443 428 L N -0.180 121.009 121.223 -0.057 0.000 2.046 428 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 428 L C 2.612 179.455 176.870 -0.044 0.000 1.077 428 L CA 2.232 57.045 54.840 -0.045 0.000 0.747 428 L CB -0.795 41.236 42.059 -0.048 0.000 0.896 428 L HN 0.344 nan 8.230 nan 0.000 0.432 429 A N -0.341 122.446 122.820 -0.055 0.000 1.883 429 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 429 A C 2.271 179.820 177.584 -0.058 0.000 1.186 429 A CA 2.107 54.109 52.037 -0.057 0.000 0.624 429 A CB -0.947 18.011 19.000 -0.070 0.000 0.822 429 A HN 0.519 nan 8.150 nan 0.000 0.444 430 L N -0.650 120.535 121.223 -0.064 0.000 2.017 430 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 430 L C 2.650 179.500 176.870 -0.033 0.000 1.073 430 L CA 1.372 56.178 54.840 -0.057 0.000 0.745 430 L CB -0.633 41.389 42.059 -0.061 0.000 0.894 430 L HN 0.353 nan 8.230 nan 0.000 0.432 431 E N -0.203 119.986 120.200 -0.019 0.000 2.153 431 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 431 E C 2.018 178.612 176.600 -0.009 0.000 0.988 431 E CA 1.090 57.490 56.400 -0.000 0.000 0.811 431 E CB -0.100 29.615 29.700 0.024 0.000 0.746 431 E HN 0.429 nan 8.360 nan 0.000 0.466 432 M N -0.805 118.784 119.600 -0.019 0.000 2.561 432 M HA 0.131 4.611 4.480 -0.000 0.000 0.238 432 M C 0.839 177.126 176.300 -0.021 0.000 1.131 432 M CA 0.457 55.745 55.300 -0.019 0.000 1.046 432 M CB -0.384 32.202 32.600 -0.024 0.000 1.532 432 M HN 0.120 nan 8.290 nan 0.000 0.497 433 G N 1.840 110.625 108.800 -0.025 0.000 2.295 433 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.287 433 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.287 433 G C 0.292 175.173 174.900 -0.030 0.000 1.055 433 G CA 0.302 45.387 45.100 -0.025 0.000 0.922 433 G HN 0.771 nan 8.290 nan 0.000 0.503 434 A N -0.079 122.716 122.820 -0.043 0.000 2.351 434 A HA 0.851 5.171 4.320 -0.000 0.000 0.257 434 A C 1.021 178.568 177.584 -0.063 0.000 1.087 434 A CA 0.840 52.849 52.037 -0.047 0.000 0.798 434 A CB 0.470 19.439 19.000 -0.052 0.000 1.033 434 A HN 1.788 nan 8.150 nan 0.000 0.488 435 T N -0.392 114.130 114.554 -0.054 0.000 2.944 435 T HA 0.456 4.805 4.350 -0.000 0.000 0.284 435 T C 1.091 175.725 174.700 -0.110 0.000 1.010 435 T CA -0.876 61.184 62.100 -0.068 0.000 1.025 435 T CB 0.578 69.438 68.868 -0.013 0.000 1.079 435 T HN 0.299 nan 8.240 nan 0.000 0.516 436 L N 0.796 121.893 121.223 -0.209 0.000 2.079 436 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 436 L C 2.846 179.694 176.870 -0.038 0.000 1.081 436 L CA 1.904 56.553 54.840 -0.317 0.000 0.752 436 L CB -2.039 39.487 42.059 -0.888 0.000 0.896 436 L HN 0.875 nan 8.230 nan 0.000 0.433 437 T N -0.652 113.984 114.554 0.136 0.000 2.759 437 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 437 T C 1.500 176.224 174.700 0.041 0.000 1.042 437 T CA 1.334 63.516 62.100 0.137 0.000 1.140 437 T CB -0.128 68.773 68.868 0.056 0.000 0.864 437 T HN 0.325 nan 8.240 nan 0.000 0.455 438 D N 0.777 121.182 120.400 0.008 0.000 2.117 438 D HA -0.030 4.610 4.640 -0.000 0.000 0.197 438 D C 2.079 178.383 176.300 0.006 0.000 0.987 438 D CA 0.632 54.631 54.000 -0.002 0.000 0.829 438 D CB -0.305 40.485 40.800 -0.017 0.000 0.961 438 D HN 0.182 nan 8.370 nan 0.000 0.460 439 L N 1.134 122.352 121.223 -0.009 0.000 2.017 439 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 439 L C 2.267 179.165 176.870 0.047 0.000 1.073 439 L CA 1.608 56.453 54.840 0.010 0.000 0.745 439 L CB -0.691 41.333 42.059 -0.058 0.000 0.894 439 L HN -0.057 nan 8.230 nan 0.000 0.432 440 A N -1.315 121.519 122.820 0.024 0.000 1.968 440 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 440 A C 2.176 179.788 177.584 0.046 0.000 1.169 440 A CA 1.300 53.356 52.037 0.032 0.000 0.638 440 A CB -0.655 18.387 19.000 0.071 0.000 0.812 440 A HN 0.440 nan 8.150 nan 0.000 0.446 441 L N -0.026 121.220 121.223 0.039 0.000 2.478 441 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 441 L C 0.399 177.289 176.870 0.033 0.000 1.140 441 L CA 0.191 55.047 54.840 0.027 0.000 0.842 441 L CB -0.508 41.557 42.059 0.010 0.000 0.953 441 L HN 0.169 nan 8.230 nan 0.000 0.452 442 T N 0.821 115.409 114.554 0.058 0.000 2.834 442 T HA 0.128 4.478 4.350 -0.000 0.000 0.298 442 T C 0.253 175.006 174.700 0.088 0.000 0.966 442 T CA -0.192 61.926 62.100 0.029 0.000 1.141 442 T CB 1.602 70.463 68.868 -0.011 0.000 0.905 442 T HN -0.210 nan 8.240 nan 0.000 0.535 443 V N 5.970 125.891 119.914 0.011 0.000 2.352 443 V HA 0.113 4.233 4.120 -0.000 0.000 0.253 443 V C 0.314 176.414 176.094 0.009 0.000 1.083 443 V CA -0.463 61.862 62.300 0.041 0.000 0.993 443 V CB -0.974 30.855 31.823 0.009 0.000 1.111 443 V HN 0.794 nan 8.190 nan 0.000 0.490 444 H N 5.254 124.316 119.070 -0.013 0.000 2.562 444 H HA 0.383 4.939 4.556 -0.000 0.000 0.352 444 H C -2.049 173.288 175.328 0.016 0.000 1.125 444 H CA -1.494 54.548 56.048 -0.010 0.000 1.379 444 H CB 0.366 30.115 29.762 -0.023 0.000 1.464 444 H HN 0.447 nan 8.280 nan 0.000 0.563 445 P HA 0.113 nan 4.420 nan 0.000 0.272 445 P C -0.878 176.502 177.300 0.134 0.000 1.223 445 P CA -0.048 63.105 63.100 0.087 0.000 0.784 445 P CB 0.569 32.291 31.700 0.035 0.000 0.923 446 H N 1.281 120.366 119.070 0.024 0.000 2.589 446 H HA 0.530 5.086 4.556 -0.000 0.000 0.351 446 H C -2.374 172.959 175.328 0.009 0.000 1.074 446 H CA -1.748 54.311 56.048 0.018 0.000 1.203 446 H CB 0.999 30.777 29.762 0.027 0.000 1.558 446 H HN 0.301 nan 8.280 nan 0.000 0.522 447 P HA 0.329 nan 4.420 nan 0.000 0.300 447 P C -1.334 175.829 177.300 -0.228 0.000 1.326 447 P CA -0.590 62.125 63.100 -0.642 0.000 0.844 447 P CB 1.887 33.153 31.700 -0.723 0.000 0.992 448 T N -1.225 113.252 114.554 -0.128 0.000 2.843 448 T HA 0.362 4.711 4.350 -0.000 0.000 0.302 448 T C 1.082 175.765 174.700 -0.029 0.000 1.232 448 T CA -0.900 61.170 62.100 -0.051 0.000 1.009 448 T CB 0.867 69.733 68.868 -0.004 0.000 1.254 448 T HN 0.113 nan 8.240 nan 0.000 0.504 449 L N 1.273 122.488 121.223 -0.013 0.000 2.156 449 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 449 L C 3.067 179.929 176.870 -0.012 0.000 1.095 449 L CA 1.437 56.276 54.840 -0.002 0.000 0.770 449 L CB -0.623 41.438 42.059 0.004 0.000 0.914 449 L HN 0.955 nan 8.230 nan 0.000 0.439 450 S N -0.349 115.355 115.700 0.008 0.000 2.419 450 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 450 S C 1.660 176.215 174.600 -0.075 0.000 1.019 450 S CA 1.245 59.468 58.200 0.038 0.000 0.982 450 S CB -0.388 62.909 63.200 0.162 0.000 0.789 450 S HN 0.487 nan 8.310 nan 0.000 0.490 451 E N 1.064 121.210 120.200 -0.089 0.000 2.209 451 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 451 E C 1.996 178.362 176.600 -0.390 0.000 0.993 451 E CA 1.105 57.367 56.400 -0.231 0.000 0.819 451 E CB -0.240 29.415 29.700 -0.076 0.000 0.745 451 E HN 0.615 nan 8.360 nan 0.000 0.477 452 S N 0.589 116.119 115.700 -0.283 0.000 2.419 452 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 452 S C 1.753 176.191 174.600 -0.270 0.000 1.016 452 S CA 0.622 58.638 58.200 -0.307 0.000 0.974 452 S CB -0.008 63.214 63.200 0.038 0.000 0.786 452 S HN 0.108 nan 8.310 nan 0.000 0.492 453 L N 1.067 122.129 121.223 -0.269 0.000 2.072 453 L HA 0.073 4.413 4.340 -0.000 0.000 0.205 453 L C 2.349 179.026 176.870 -0.323 0.000 1.079 453 L CA 1.472 56.169 54.840 -0.237 0.000 0.752 453 L CB -0.652 41.298 42.059 -0.183 0.000 0.906 453 L HN 0.352 nan 8.230 nan 0.000 0.436 454 M N -0.719 118.537 119.600 -0.574 0.000 2.086 454 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 454 M C 2.092 178.218 176.300 -0.289 0.000 1.067 454 M CA 1.804 56.819 55.300 -0.475 0.000 1.116 454 M CB -0.097 32.126 32.600 -0.629 0.000 1.348 454 M HN 0.256 nan 8.290 nan 0.000 0.407 455 E N 0.171 120.136 120.200 -0.393 0.000 2.150 455 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 455 E C 1.992 178.505 176.600 -0.145 0.000 0.985 455 E CA 1.033 57.212 56.400 -0.369 0.000 0.814 455 E CB -0.155 28.984 29.700 -0.935 0.000 0.752 455 E HN 0.678 nan 8.360 nan 0.000 0.466 456 A N 1.608 124.361 122.820 -0.113 0.000 1.933 456 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 456 A C 2.390 179.992 177.584 0.030 0.000 1.175 456 A CA 1.588 53.659 52.037 0.056 0.000 0.628 456 A CB -0.454 18.574 19.000 0.047 0.000 0.814 456 A HN 0.281 nan 8.150 nan 0.000 0.444 457 A N -0.278 122.509 122.820 -0.055 0.000 1.930 457 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 457 A C 1.946 179.537 177.584 0.013 0.000 1.175 457 A CA 1.465 53.450 52.037 -0.087 0.000 0.627 457 A CB -0.383 18.549 19.000 -0.114 0.000 0.815 457 A HN 0.562 nan 8.150 nan 0.000 0.443 458 E N -0.092 120.136 120.200 0.048 0.000 2.106 458 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 458 E C 2.322 179.012 176.600 0.150 0.000 0.984 458 E CA 1.003 57.475 56.400 0.119 0.000 0.806 458 E CB -0.355 29.377 29.700 0.053 0.000 0.750 458 E HN 0.589 nan 8.360 nan 0.000 0.458 459 A N 1.238 124.138 122.820 0.134 0.000 1.972 459 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 459 A C 1.971 179.640 177.584 0.140 0.000 1.169 459 A CA 1.010 53.134 52.037 0.146 0.000 0.635 459 A CB -0.769 18.337 19.000 0.176 0.000 0.810 459 A HN 0.303 nan 8.150 nan 0.000 0.446 460 F N 0.511 120.423 119.950 -0.065 0.000 2.171 460 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 460 F C 1.833 177.543 175.800 -0.149 0.000 1.090 460 F CA 2.100 60.011 58.000 -0.149 0.000 1.293 460 F CB -0.380 38.454 39.000 -0.277 0.000 1.013 460 F HN 0.429 nan 8.300 nan 0.000 0.486 461 H N 0.600 119.857 119.070 0.312 0.000 2.524 461 H HA 0.152 4.708 4.556 -0.000 0.000 0.280 461 H C 0.104 175.472 175.328 0.066 0.000 1.018 461 H CA -0.100 56.052 56.048 0.174 0.000 1.165 461 H CB 0.025 29.899 29.762 0.188 0.000 1.411 461 H HN -0.094 nan 8.280 nan 0.000 0.569 462 K N 1.001 121.478 120.400 0.130 0.000 3.071 462 K HA -0.235 4.085 4.320 -0.000 0.000 0.265 462 K C -0.107 176.544 176.600 0.085 0.000 1.060 462 K CA 1.010 57.344 56.287 0.078 0.000 0.767 462 K CB -1.903 30.621 32.500 0.041 0.000 1.241 462 K HN 0.793 nan 8.250 nan 0.000 0.486 463 Q N -2.003 117.861 119.800 0.107 0.000 2.074 463 Q HA 0.496 4.836 4.340 -0.000 0.000 0.265 463 Q C 0.045 176.082 176.000 0.061 0.000 0.855 463 Q CA -0.068 55.780 55.803 0.075 0.000 1.083 463 Q CB 0.868 29.648 28.738 0.070 0.000 1.260 463 Q HN 0.245 nan 8.270 nan 0.000 0.427 464 A N 0.981 123.849 122.820 0.080 0.000 2.425 464 A HA 0.306 4.626 4.320 -0.000 0.000 0.242 464 A C 0.853 178.458 177.584 0.036 0.000 1.077 464 A CA -0.252 51.833 52.037 0.081 0.000 0.781 464 A CB 0.227 19.334 19.000 0.178 0.000 1.020 464 A HN 0.469 nan 8.150 nan 0.000 0.494 465 I N 0.069 120.619 120.570 -0.033 0.000 2.810 465 I HA -0.020 4.150 4.170 -0.000 0.000 0.262 465 I C 1.441 177.477 176.117 -0.135 0.000 1.131 465 I CA 1.369 62.579 61.300 -0.150 0.000 1.453 465 I CB -1.502 36.296 38.000 -0.336 0.000 1.161 465 I HN 0.831 nan 8.210 nan 0.000 0.444 466 H N 1.540 120.707 119.070 0.162 0.000 2.543 466 H HA 0.312 4.868 4.556 -0.000 0.000 0.269 466 H C 0.282 175.717 175.328 0.178 0.000 1.005 466 H CA 0.051 56.220 56.048 0.202 0.000 1.146 466 H CB 0.080 30.026 29.762 0.306 0.000 1.353 466 H HN 0.295 nan 8.280 nan 0.000 0.595 467 I N -2.975 117.730 120.570 0.225 0.000 2.913 467 I HA 0.309 4.479 4.170 -0.000 0.000 0.302 467 I C -1.156 175.008 176.117 0.077 0.000 1.246 467 I CA -1.372 59.995 61.300 0.112 0.000 1.010 467 I CB 2.345 40.380 38.000 0.058 0.000 1.259 467 I HN -0.180 nan 8.210 nan 0.000 0.434 468 L N 4.308 125.556 121.223 0.042 0.000 2.331 468 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 468 L C 0.374 177.263 176.870 0.031 0.000 1.106 468 L CA -0.288 54.572 54.840 0.032 0.000 0.824 468 L CB 0.260 42.331 42.059 0.020 0.000 1.142 468 L HN 0.637 nan 8.230 nan 0.000 0.443 469 N N 0.000 118.720 118.700 0.033 0.000 1.763 469 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 469 N CA 0.000 53.069 53.050 0.032 0.000 0.885 469 N CB 0.000 38.510 38.487 0.038 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667