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 1sa4_1_B DATA FIRST_RESID 15 DATA SEQUENCE SSPVWSEPLY SLRPEHARER LQDDSVETVT SIEQAKVEEK IQEVFSSYKF DATA SEQUENCE NHLVPRLVLQ REKHFHYLKR GLRQLTDAYE CLDASRPWLC YWILHSLELL DATA SEQUENCE DEPIPQIVAT DVCQFLELCQ SPEGGFGGGP GQYPHLAPTY AAVNALCIIG DATA SEQUENCE TEEAYDIINR EKLLQYLYSL KQPDGSFLMH VGGEVDVRSA YCAASVASLT DATA SEQUENCE NIITPDLFEG TAEWIARCQN WEGGIGGVPG MEAHGGYTFC GLAALVILKR DATA SEQUENCE ERSLNLKSLL QWVTSRQMRF EGGFQGRCNK LVDGCYSFWQ AGLLPLLHRA DATA SEQUENCE LHAQGDPALS MSHWMFHQQA LQEYILMCCQ CPAGGLLDKP GKSRDFYHTC DATA SEQUENCE YCLSGLSIAQ HFGSGAMLHD VVLGVPENAL QPTHPVYNIG PDKVIQATTY DATA SEQUENCE FLQKPVPGFE 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.555 174.600 -0.074 0.000 1.055 15 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 15 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 16 S N 2.018 117.644 115.700 -0.124 0.000 2.548 16 S HA 0.768 5.238 4.470 0.000 0.000 0.286 16 S C -2.823 171.584 174.600 -0.321 0.000 1.098 16 S CA -0.911 57.163 58.200 -0.210 0.000 0.930 16 S CB 1.416 64.489 63.200 -0.213 0.000 1.070 16 S HN 0.380 nan 8.310 nan 0.000 0.480 17 P HA 0.053 nan 4.420 nan 0.000 0.269 17 P C 1.121 178.014 177.300 -0.677 0.000 1.217 17 P CA -0.532 62.115 63.100 -0.756 0.000 0.783 17 P CB 0.310 31.055 31.700 -1.592 0.000 0.898 18 V N -1.019 118.624 119.914 -0.451 0.000 2.913 18 V HA -0.108 4.012 4.120 0.000 0.000 0.260 18 V C 1.219 177.233 176.094 -0.133 0.000 1.098 18 V CA 0.973 63.145 62.300 -0.214 0.000 1.121 18 V CB -1.407 30.380 31.823 -0.059 0.000 0.714 18 V HN 0.709 nan 8.190 nan 0.000 0.487 19 W N 0.233 121.527 121.300 -0.009 0.000 3.345 19 W HA 0.574 5.234 4.660 0.000 0.000 0.282 19 W C 0.445 176.957 176.519 -0.012 0.000 1.302 19 W CA 0.131 57.470 57.345 -0.010 0.000 1.724 19 W CB -0.558 28.894 29.460 -0.013 0.000 1.104 19 W HN 0.348 nan 8.180 nan 0.000 0.694 20 S N 1.095 116.715 115.700 -0.132 0.000 2.614 20 S HA 0.328 4.799 4.470 0.000 0.000 0.288 20 S C -1.379 173.141 174.600 -0.135 0.000 1.137 20 S CA -0.335 57.822 58.200 -0.071 0.000 0.992 20 S CB 1.996 65.069 63.200 -0.212 0.000 1.026 20 S HN 0.221 nan 8.310 nan 0.000 0.486 21 E N 4.735 124.902 120.200 -0.055 0.000 2.279 21 E HA 0.463 4.814 4.350 0.000 0.000 0.252 21 E C -2.734 173.834 176.600 -0.054 0.000 0.894 21 E CA -2.285 54.077 56.400 -0.063 0.000 0.785 21 E CB 1.202 30.881 29.700 -0.034 0.000 1.237 21 E HN 0.306 nan 8.360 nan 0.000 0.418 22 P HA 0.011 nan 4.420 nan 0.000 0.266 22 P C -0.941 176.330 177.300 -0.047 0.000 1.195 22 P CA 0.360 63.425 63.100 -0.059 0.000 0.768 22 P CB 0.463 32.136 31.700 -0.046 0.000 0.838 23 L N 2.638 123.819 121.223 -0.071 0.000 2.346 23 L HA 0.335 4.675 4.340 0.000 0.000 0.274 23 L C 1.291 178.090 176.870 -0.118 0.000 1.007 23 L CA -0.835 53.946 54.840 -0.098 0.000 0.818 23 L CB 1.318 43.275 42.059 -0.169 0.000 1.284 23 L HN 0.384 nan 8.230 nan 0.000 0.424 24 Y N 1.827 121.986 120.300 -0.235 0.000 2.128 24 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 24 Y C 2.298 177.884 175.900 -0.523 0.000 1.154 24 Y CA 2.171 60.110 58.100 -0.270 0.000 1.149 24 Y CB 0.176 38.496 38.460 -0.233 0.000 0.976 24 Y HN 0.649 nan 8.280 nan 0.000 0.505 25 S N -0.037 115.203 115.700 -0.766 0.000 2.507 25 S HA -0.083 4.387 4.470 0.000 0.000 0.235 25 S C 1.308 175.256 174.600 -1.087 0.000 0.988 25 S CA 1.067 58.351 58.200 -1.526 0.000 0.944 25 S CB -0.235 61.841 63.200 -1.873 0.000 0.762 25 S HN 0.295 nan 8.310 nan 0.000 0.526 26 L N 0.779 121.644 121.223 -0.596 0.000 2.640 26 L HA 0.279 4.619 4.340 0.000 0.000 0.230 26 L C 0.809 177.578 176.870 -0.169 0.000 1.123 26 L CA 0.310 54.970 54.840 -0.300 0.000 0.900 26 L CB -0.237 41.702 42.059 -0.200 0.000 1.146 26 L HN 0.024 nan 8.230 nan 0.000 0.484 27 R N 1.284 121.661 120.500 -0.205 0.000 2.643 27 R HA 0.078 4.419 4.340 0.000 0.000 0.270 27 R C -1.149 175.132 176.300 -0.032 0.000 1.061 27 R CA -1.089 54.951 56.100 -0.100 0.000 1.107 27 R CB 0.052 30.277 30.300 -0.125 0.000 0.999 27 R HN -0.080 nan 8.270 nan 0.000 0.460 28 P HA -0.150 nan 4.420 nan 0.000 0.218 28 P C -0.014 177.300 177.300 0.022 0.000 1.149 28 P CA 1.364 64.475 63.100 0.019 0.000 0.817 28 P CB 0.307 32.017 31.700 0.017 0.000 0.785 29 E N -1.206 118.996 120.200 0.004 0.000 2.268 29 E HA -0.172 4.178 4.350 0.000 0.000 0.195 29 E C 2.163 178.759 176.600 -0.008 0.000 0.995 29 E CA 0.573 56.970 56.400 -0.005 0.000 0.836 29 E CB -1.278 28.413 29.700 -0.015 0.000 0.763 29 E HN 0.476 nan 8.360 nan 0.000 0.491 30 H N 0.428 119.426 119.070 -0.119 0.000 2.457 30 H HA -0.016 4.540 4.556 0.000 0.000 0.297 30 H C 1.803 177.174 175.328 0.072 0.000 1.092 30 H CA 1.288 57.259 56.048 -0.129 0.000 1.309 30 H CB 0.185 29.787 29.762 -0.266 0.000 1.382 30 H HN 0.267 nan 8.280 nan 0.000 0.535 31 A N 0.884 123.762 122.820 0.097 0.000 2.070 31 A HA -0.164 4.156 4.320 0.000 0.000 0.220 31 A C 2.412 179.993 177.584 -0.004 0.000 1.159 31 A CA 1.182 53.277 52.037 0.097 0.000 0.656 31 A CB -0.407 18.639 19.000 0.078 0.000 0.800 31 A HN 0.333 nan 8.150 nan 0.000 0.453 32 R N -0.165 120.316 120.500 -0.031 0.000 2.316 32 R HA 0.016 4.356 4.340 0.000 0.000 0.202 32 R C 0.930 177.190 176.300 -0.068 0.000 1.029 32 R CA 0.729 56.801 56.100 -0.046 0.000 1.018 32 R CB 0.082 30.362 30.300 -0.033 0.000 0.888 32 R HN 0.416 nan 8.270 nan 0.000 0.471 33 E N 0.360 120.503 120.200 -0.095 0.000 2.489 33 E HA 0.022 4.372 4.350 0.000 0.000 0.193 33 E C 0.042 176.605 176.600 -0.061 0.000 1.057 33 E CA 0.169 56.520 56.400 -0.082 0.000 0.866 33 E CB 0.186 29.775 29.700 -0.185 0.000 0.916 33 E HN 0.085 nan 8.360 nan 0.000 0.500 34 R N 0.983 121.384 120.500 -0.165 0.000 2.694 34 R HA 0.073 4.413 4.340 0.000 0.000 0.268 34 R C 0.530 176.709 176.300 -0.202 0.000 1.061 34 R CA -0.608 55.279 56.100 -0.354 0.000 1.133 34 R CB 0.165 30.233 30.300 -0.388 0.000 1.020 34 R HN 0.070 nan 8.270 nan 0.000 0.475 35 L N 2.180 123.279 121.223 -0.206 0.000 2.578 35 L HA -0.090 4.250 4.340 0.000 0.000 0.279 35 L C -0.113 176.700 176.870 -0.096 0.000 1.227 35 L CA 1.168 55.936 54.840 -0.121 0.000 0.900 35 L CB 0.233 42.225 42.059 -0.111 0.000 1.144 35 L HN 0.420 nan 8.230 nan 0.000 0.496 36 Q N 3.336 123.097 119.800 -0.066 0.000 2.425 36 Q HA 0.173 4.514 4.340 0.000 0.000 0.254 36 Q C -0.211 175.766 176.000 -0.039 0.000 1.032 36 Q CA -0.345 55.428 55.803 -0.051 0.000 0.798 36 Q CB 0.940 29.654 28.738 -0.040 0.000 1.210 36 Q HN 0.755 nan 8.270 nan 0.000 0.491 37 D N 1.632 122.009 120.400 -0.039 0.000 2.328 37 D HA -0.085 4.555 4.640 0.000 0.000 0.226 37 D C -0.366 175.922 176.300 -0.021 0.000 1.066 37 D CA -0.038 53.945 54.000 -0.029 0.000 0.861 37 D CB 0.237 41.019 40.800 -0.030 0.000 0.912 37 D HN 0.430 nan 8.370 nan 0.000 0.521 38 D N -0.068 120.320 120.400 -0.021 0.000 2.882 38 D HA -0.241 4.399 4.640 0.000 0.000 0.229 38 D C -0.180 176.111 176.300 -0.014 0.000 1.167 38 D CA 1.157 55.148 54.000 -0.015 0.000 0.759 38 D CB -1.737 39.056 40.800 -0.011 0.000 1.088 38 D HN 0.284 nan 8.370 nan 0.000 0.425 39 S N -2.690 113.000 115.700 -0.017 0.000 3.476 39 S HA -0.220 4.250 4.470 0.000 0.000 0.309 39 S C 0.167 174.760 174.600 -0.012 0.000 1.222 39 S CA 0.883 59.074 58.200 -0.015 0.000 0.922 39 S CB -0.803 62.389 63.200 -0.013 0.000 1.023 39 S HN 0.371 nan 8.310 nan 0.000 0.591 40 V N 1.800 121.707 119.914 -0.011 0.000 2.325 40 V HA 0.295 4.416 4.120 0.000 0.000 0.280 40 V C 0.236 176.325 176.094 -0.008 0.000 1.016 40 V CA -0.539 61.756 62.300 -0.008 0.000 0.818 40 V CB 1.560 33.379 31.823 -0.005 0.000 1.019 40 V HN 0.328 nan 8.190 nan 0.000 0.434 41 E N 3.106 123.301 120.200 -0.008 0.000 2.249 41 E HA 0.622 4.973 4.350 0.000 0.000 0.280 41 E C 0.022 176.620 176.600 -0.004 0.000 1.016 41 E CA -0.257 56.138 56.400 -0.008 0.000 0.830 41 E CB 1.850 31.545 29.700 -0.010 0.000 1.081 41 E HN 0.804 nan 8.360 nan 0.000 0.395 42 T N -2.121 112.432 114.554 -0.002 0.000 2.841 42 T HA 0.190 4.540 4.350 0.000 0.000 0.296 42 T C 0.966 175.669 174.700 0.004 0.000 1.166 42 T CA -0.829 61.273 62.100 0.003 0.000 1.007 42 T CB 0.977 69.849 68.868 0.007 0.000 1.253 42 T HN 0.098 nan 8.240 nan 0.000 0.511 43 V N 1.213 121.132 119.914 0.008 0.000 2.324 43 V HA -0.216 3.905 4.120 0.000 0.000 0.250 43 V C 2.900 179.000 176.094 0.010 0.000 1.060 43 V CA 2.813 65.119 62.300 0.009 0.000 1.042 43 V CB -1.449 30.383 31.823 0.015 0.000 0.650 43 V HN 1.107 nan 8.190 nan 0.000 0.450 44 T N 0.466 115.028 114.554 0.013 0.000 2.652 44 T HA -0.201 4.149 4.350 0.000 0.000 0.267 44 T C 2.115 176.817 174.700 0.003 0.000 1.039 44 T CA 2.100 64.208 62.100 0.013 0.000 1.153 44 T CB -0.420 68.459 68.868 0.018 0.000 0.863 44 T HN 0.761 nan 8.240 nan 0.000 0.428 45 S N 1.346 117.045 115.700 -0.003 0.000 2.402 45 S HA -0.010 4.460 4.470 0.000 0.000 0.229 45 S C 2.113 176.702 174.600 -0.019 0.000 1.021 45 S CA 0.745 58.937 58.200 -0.014 0.000 0.974 45 S CB -0.795 62.395 63.200 -0.016 0.000 0.800 45 S HN 0.483 nan 8.310 nan 0.000 0.484 46 I N 1.718 122.280 120.570 -0.012 0.000 2.226 46 I HA -0.127 4.043 4.170 0.000 0.000 0.245 46 I C 2.846 178.956 176.117 -0.013 0.000 1.100 46 I CA 1.393 62.685 61.300 -0.014 0.000 1.374 46 I CB -0.329 37.666 38.000 -0.008 0.000 1.057 46 I HN 0.268 nan 8.210 nan 0.000 0.413 47 E N 0.309 120.507 120.200 -0.005 0.000 2.072 47 E HA -0.259 4.091 4.350 0.000 0.000 0.191 47 E C 2.016 178.613 176.600 -0.004 0.000 0.985 47 E CA 1.088 57.488 56.400 0.000 0.000 0.801 47 E CB -0.322 29.385 29.700 0.011 0.000 0.750 47 E HN 0.402 nan 8.360 nan 0.000 0.452 48 Q N 1.009 120.803 119.800 -0.009 0.000 2.084 48 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 48 Q C 1.951 177.928 176.000 -0.037 0.000 0.978 48 Q CA 2.011 57.804 55.803 -0.017 0.000 0.844 48 Q CB -0.469 28.256 28.738 -0.021 0.000 0.898 48 Q HN 0.195 nan 8.270 nan 0.000 0.426 49 A N 0.216 123.007 122.820 -0.049 0.000 1.933 49 A HA -0.181 4.139 4.320 0.000 0.000 0.218 49 A C 2.011 179.558 177.584 -0.062 0.000 1.175 49 A CA 1.659 53.651 52.037 -0.075 0.000 0.628 49 A CB -0.417 18.542 19.000 -0.067 0.000 0.814 49 A HN 0.396 nan 8.150 nan 0.000 0.444 50 K N -0.572 119.806 120.400 -0.036 0.000 2.057 50 K HA -0.048 4.272 4.320 0.000 0.000 0.206 50 K C 1.844 178.434 176.600 -0.017 0.000 1.050 50 K CA 1.358 57.630 56.287 -0.025 0.000 0.935 50 K CB -0.269 32.223 32.500 -0.013 0.000 0.715 50 K HN 0.287 nan 8.250 nan 0.000 0.439 51 V N 1.702 121.612 119.914 -0.006 0.000 2.307 51 V HA -0.229 3.891 4.120 0.000 0.000 0.245 51 V C 1.927 178.035 176.094 0.024 0.000 1.045 51 V CA 1.742 64.050 62.300 0.015 0.000 1.024 51 V CB -0.372 31.469 31.823 0.030 0.000 0.651 51 V HN 0.332 nan 8.190 nan 0.000 0.449 52 E N -0.179 120.019 120.200 -0.003 0.000 2.118 52 E HA -0.297 4.053 4.350 0.000 0.000 0.195 52 E C 2.211 178.786 176.600 -0.041 0.000 0.992 52 E CA 1.472 57.856 56.400 -0.027 0.000 0.804 52 E CB -0.109 29.417 29.700 -0.291 0.000 0.741 52 E HN 0.577 nan 8.360 nan 0.000 0.458 53 E N 1.521 121.681 120.200 -0.067 0.000 2.051 53 E HA -0.228 4.123 4.350 0.000 0.000 0.192 53 E C 1.879 178.478 176.600 -0.002 0.000 0.991 53 E CA 1.506 57.880 56.400 -0.044 0.000 0.799 53 E CB -0.022 29.651 29.700 -0.045 0.000 0.748 53 E HN -0.058 nan 8.360 nan 0.000 0.449 54 K N 0.228 120.627 120.400 -0.003 0.000 2.057 54 K HA -0.042 4.278 4.320 0.000 0.000 0.206 54 K C 1.911 178.496 176.600 -0.025 0.000 1.050 54 K CA 1.310 57.594 56.287 -0.006 0.000 0.935 54 K CB -0.464 32.033 32.500 -0.005 0.000 0.715 54 K HN 0.168 nan 8.250 nan 0.000 0.439 55 I N 1.208 121.758 120.570 -0.034 0.000 2.286 55 I HA -0.205 3.965 4.170 0.000 0.000 0.248 55 I C 2.281 178.208 176.117 -0.316 0.000 1.115 55 I CA 1.329 62.498 61.300 -0.219 0.000 1.392 55 I CB -1.254 36.634 38.000 -0.187 0.000 1.065 55 I HN 0.369 nan 8.210 nan 0.000 0.418 56 Q N 1.485 121.328 119.800 0.072 0.000 2.084 56 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 56 Q C 2.039 178.125 176.000 0.143 0.000 0.978 56 Q CA 1.771 57.725 55.803 0.252 0.000 0.844 56 Q CB -0.172 28.758 28.738 0.319 0.000 0.898 56 Q HN 0.514 nan 8.270 nan 0.000 0.426 57 E N -0.993 119.247 120.200 0.066 0.000 2.077 57 E HA -0.155 4.195 4.350 0.000 0.000 0.193 57 E C 1.976 178.615 176.600 0.065 0.000 0.989 57 E CA 1.460 57.891 56.400 0.052 0.000 0.800 57 E CB -0.026 29.688 29.700 0.023 0.000 0.746 57 E HN 0.205 nan 8.360 nan 0.000 0.452 58 V N 0.991 120.929 119.914 0.039 0.000 2.261 58 V HA -0.261 3.859 4.120 0.000 0.000 0.246 58 V C 2.029 178.311 176.094 0.314 0.000 1.047 58 V CA 1.760 64.130 62.300 0.117 0.000 1.015 58 V CB -0.671 31.168 31.823 0.026 0.000 0.642 58 V HN 0.296 nan 8.190 nan 0.000 0.446 59 F N 0.524 120.552 119.950 0.128 0.000 2.091 59 F HA -0.264 4.263 4.527 0.000 0.000 0.299 59 F C 2.772 178.627 175.800 0.091 0.000 1.103 59 F CA 1.449 59.498 58.000 0.083 0.000 1.228 59 F CB -0.381 38.615 39.000 -0.007 0.000 0.984 59 F HN 0.136 nan 8.300 nan 0.000 0.477 60 S N -0.164 115.687 115.700 0.252 0.000 2.400 60 S HA -0.192 4.279 4.470 0.000 0.000 0.232 60 S C 1.996 176.558 174.600 -0.063 0.000 1.025 60 S CA 1.403 59.648 58.200 0.076 0.000 0.993 60 S CB -0.470 62.764 63.200 0.058 0.000 0.808 60 S HN 0.473 nan 8.310 nan 0.000 0.478 61 S N -0.060 115.620 115.700 -0.035 0.000 2.515 61 S HA -0.005 4.465 4.470 0.000 0.000 0.231 61 S C 1.080 175.415 174.600 -0.442 0.000 0.987 61 S CA 0.467 58.528 58.200 -0.232 0.000 0.936 61 S CB -0.519 62.564 63.200 -0.195 0.000 0.766 61 S HN 0.581 nan 8.310 nan 0.000 0.528 62 Y N 1.421 121.619 120.300 -0.171 0.000 2.468 62 Y HA 0.469 5.019 4.550 0.000 0.000 0.268 62 Y C 0.740 176.497 175.900 -0.238 0.000 1.177 62 Y CA -0.374 57.660 58.100 -0.111 0.000 1.265 62 Y CB 0.291 38.755 38.460 0.007 0.000 1.103 62 Y HN 0.203 nan 8.280 nan 0.000 0.522 63 K N 0.269 120.426 120.400 -0.405 0.000 2.345 63 K HA 0.448 4.768 4.320 0.000 0.000 0.255 63 K C -1.743 174.430 176.600 -0.712 0.000 0.934 63 K CA -0.582 55.503 56.287 -0.336 0.000 0.801 63 K CB 0.760 33.182 32.500 -0.130 0.000 1.137 63 K HN -0.056 nan 8.250 nan 0.000 0.424 64 F N 4.855 124.837 119.950 0.054 0.000 2.531 64 F HA 0.306 4.833 4.527 0.000 0.000 0.333 64 F C 0.453 176.293 175.800 0.067 0.000 1.292 64 F CA -0.779 57.249 58.000 0.048 0.000 1.184 64 F CB 0.198 39.219 39.000 0.036 0.000 1.426 64 F HN 0.719 nan 8.300 nan 0.000 0.559 65 N N 0.279 119.059 118.700 0.132 0.000 1.293 65 N HA -0.384 4.357 4.740 0.000 0.000 0.140 65 N C 1.193 176.817 175.510 0.189 0.000 0.753 65 N CA 1.947 55.082 53.050 0.142 0.000 0.979 65 N CB -0.848 37.730 38.487 0.152 0.000 1.228 65 N HN 0.607 nan 8.380 nan 0.000 0.509 66 H N 1.040 120.175 119.070 0.108 0.000 2.551 66 H HA 0.305 4.862 4.556 0.000 0.000 0.266 66 H C 0.268 175.689 175.328 0.156 0.000 0.977 66 H CA 0.353 56.464 56.048 0.106 0.000 1.163 66 H CB -0.079 29.737 29.762 0.090 0.000 1.381 66 H HN 0.300 nan 8.280 nan 0.000 0.581 67 L N 1.497 122.832 121.223 0.187 0.000 2.260 67 L HA 0.334 4.674 4.340 0.000 0.000 0.289 67 L C -1.005 176.015 176.870 0.250 0.000 1.057 67 L CA -0.340 54.632 54.840 0.219 0.000 0.811 67 L CB 0.897 43.107 42.059 0.250 0.000 1.184 67 L HN -0.083 nan 8.230 nan 0.000 0.429 68 V N 7.155 127.173 119.914 0.172 0.000 2.380 68 V HA 0.365 4.485 4.120 0.000 0.000 0.268 68 V C -2.180 174.028 176.094 0.190 0.000 1.008 68 V CA -1.398 61.008 62.300 0.178 0.000 0.823 68 V CB 0.892 32.746 31.823 0.051 0.000 1.053 68 V HN 0.698 nan 8.190 nan 0.000 0.446 69 P HA 0.125 nan 4.420 nan 0.000 0.266 69 P C 0.207 177.610 177.300 0.171 0.000 1.193 69 P CA 0.018 63.244 63.100 0.210 0.000 0.770 69 P CB 0.546 32.360 31.700 0.190 0.000 0.836 70 R N 1.827 122.406 120.500 0.133 0.000 2.623 70 R HA 0.138 4.478 4.340 0.000 0.000 0.271 70 R C 0.202 176.564 176.300 0.103 0.000 1.043 70 R CA -0.313 55.842 56.100 0.092 0.000 1.083 70 R CB -0.132 30.211 30.300 0.070 0.000 0.974 70 R HN 0.469 nan 8.270 nan 0.000 0.436 71 L N 2.590 123.855 121.223 0.071 0.000 2.439 71 L HA 0.213 4.553 4.340 0.000 0.000 0.269 71 L C -0.139 176.769 176.870 0.063 0.000 1.179 71 L CA -0.295 54.585 54.840 0.066 0.000 0.828 71 L CB 0.822 42.872 42.059 -0.015 0.000 1.106 71 L HN 0.288 nan 8.230 nan 0.000 0.467 72 V N 3.625 123.588 119.914 0.082 0.000 2.531 72 V HA 0.263 4.383 4.120 0.000 0.000 0.301 72 V C -0.274 175.861 176.094 0.068 0.000 1.034 72 V CA -0.635 61.706 62.300 0.067 0.000 0.865 72 V CB 1.980 33.844 31.823 0.069 0.000 0.995 72 V HN 0.438 nan 8.190 nan 0.000 0.424 73 L N 5.127 126.389 121.223 0.064 0.000 2.313 73 L HA 0.401 4.741 4.340 0.000 0.000 0.282 73 L C 0.688 177.605 176.870 0.079 0.000 1.092 73 L CA 0.395 55.295 54.840 0.101 0.000 0.831 73 L CB 0.998 43.114 42.059 0.095 0.000 1.159 73 L HN 0.608 nan 8.230 nan 0.000 0.442 74 Q N 5.363 125.182 119.800 0.032 0.000 3.223 74 Q HA 0.064 4.404 4.340 0.000 0.000 0.299 74 Q C 1.100 176.948 176.000 -0.254 0.000 1.385 74 Q CA 0.176 55.881 55.803 -0.164 0.000 0.942 74 Q CB -0.251 28.310 28.738 -0.296 0.000 1.748 74 Q HN 0.726 nan 8.270 nan 0.000 0.523 75 R N 0.584 121.081 120.500 -0.005 0.000 2.136 75 R HA -0.220 4.120 4.340 0.000 0.000 0.242 75 R C 1.575 177.905 176.300 0.050 0.000 1.131 75 R CA 1.493 57.633 56.100 0.067 0.000 0.937 75 R CB 0.078 30.397 30.300 0.032 0.000 0.863 75 R HN 0.339 nan 8.270 nan 0.000 0.435 76 E N 0.791 121.001 120.200 0.018 0.000 2.110 76 E HA -0.171 4.179 4.350 0.000 0.000 0.193 76 E C 1.864 178.528 176.600 0.107 0.000 0.988 76 E CA 1.321 57.759 56.400 0.065 0.000 0.804 76 E CB -0.078 29.681 29.700 0.099 0.000 0.745 76 E HN 0.394 nan 8.360 nan 0.000 0.458 77 K N -0.137 120.275 120.400 0.018 0.000 2.057 77 K HA -0.111 4.209 4.320 0.000 0.000 0.206 77 K C 2.123 178.770 176.600 0.078 0.000 1.050 77 K CA 1.066 57.368 56.287 0.025 0.000 0.935 77 K CB -0.217 32.194 32.500 -0.149 0.000 0.715 77 K HN 0.221 nan 8.250 nan 0.000 0.439 78 H N -0.104 119.054 119.070 0.147 0.000 2.353 78 H HA -0.124 4.432 4.556 0.000 0.000 0.300 78 H C 1.997 177.456 175.328 0.218 0.000 1.090 78 H CA 1.133 57.292 56.048 0.185 0.000 1.327 78 H CB -0.543 29.298 29.762 0.131 0.000 1.383 78 H HN 0.159 nan 8.280 nan 0.000 0.508 79 F N 2.078 122.087 119.950 0.099 0.000 2.095 79 F HA -0.235 4.292 4.527 0.000 0.000 0.298 79 F C 2.465 178.241 175.800 -0.040 0.000 1.104 79 F CA 1.538 59.516 58.000 -0.037 0.000 1.232 79 F CB -0.441 38.440 39.000 -0.198 0.000 0.987 79 F HN 0.141 nan 8.300 nan 0.000 0.475 80 H N -1.598 117.386 119.070 -0.142 0.000 2.389 80 H HA -0.172 4.384 4.556 0.000 0.000 0.299 80 H C 2.081 177.369 175.328 -0.066 0.000 1.081 80 H CA 1.853 57.756 56.048 -0.240 0.000 1.345 80 H CB -1.103 28.626 29.762 -0.055 0.000 1.393 80 H HN 0.457 nan 8.280 nan 0.000 0.520 81 Y N 1.606 121.949 120.300 0.073 0.000 2.145 81 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 81 Y C 2.385 178.401 175.900 0.192 0.000 1.145 81 Y CA 1.065 59.235 58.100 0.118 0.000 1.148 81 Y CB -0.698 37.834 38.460 0.120 0.000 0.981 81 Y HN 0.001 nan 8.280 nan 0.000 0.507 82 L N 0.442 121.683 121.223 0.030 0.000 2.027 82 L HA -0.214 4.127 4.340 0.000 0.000 0.206 82 L C 2.673 179.430 176.870 -0.188 0.000 1.074 82 L CA 1.978 56.780 54.840 -0.064 0.000 0.745 82 L CB -0.687 41.394 42.059 0.036 0.000 0.898 82 L HN 0.121 nan 8.230 nan 0.000 0.433 83 K N 0.300 120.537 120.400 -0.272 0.000 2.063 83 K HA -0.275 4.045 4.320 0.000 0.000 0.208 83 K C 2.376 178.852 176.600 -0.206 0.000 1.048 83 K CA 1.629 57.733 56.287 -0.306 0.000 0.928 83 K CB 0.014 32.176 32.500 -0.562 0.000 0.713 83 K HN -0.008 nan 8.250 nan 0.000 0.442 84 R N 0.300 120.709 120.500 -0.153 0.000 2.075 84 R HA -0.031 4.309 4.340 0.000 0.000 0.232 84 R C 2.185 178.396 176.300 -0.148 0.000 1.126 84 R CA 2.021 58.061 56.100 -0.100 0.000 0.963 84 R CB -1.134 29.159 30.300 -0.012 0.000 0.858 84 R HN 0.338 nan 8.270 nan 0.000 0.435 85 G N 0.412 109.088 108.800 -0.207 0.000 2.443 85 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 85 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 85 G C 1.221 175.813 174.900 -0.514 0.000 1.131 85 G CA 0.691 45.537 45.100 -0.423 0.000 0.775 85 G HN 0.351 nan 8.290 nan 0.000 0.547 86 L N -0.343 120.637 121.223 -0.405 0.000 2.362 86 L HA 0.228 4.569 4.340 0.000 0.000 0.219 86 L C 2.480 179.190 176.870 -0.267 0.000 1.134 86 L CA 1.388 56.031 54.840 -0.328 0.000 0.807 86 L CB -0.168 41.751 42.059 -0.233 0.000 0.927 86 L HN 0.129 nan 8.230 nan 0.000 0.447 87 R N -1.353 119.008 120.500 -0.231 0.000 2.084 87 R HA 0.265 4.605 4.340 0.000 0.000 0.209 87 R C 0.479 176.667 176.300 -0.187 0.000 1.173 87 R CA 0.566 56.555 56.100 -0.185 0.000 1.053 87 R CB 0.153 30.373 30.300 -0.132 0.000 0.948 87 R HN 0.398 nan 8.270 nan 0.000 0.460 88 Q N -0.487 119.213 119.800 -0.167 0.000 2.456 88 Q HA 0.592 4.932 4.340 0.000 0.000 0.283 88 Q C -1.699 174.217 176.000 -0.139 0.000 1.084 88 Q CA -0.795 54.926 55.803 -0.136 0.000 0.801 88 Q CB 2.013 30.702 28.738 -0.081 0.000 1.434 88 Q HN 0.096 nan 8.270 nan 0.000 0.419 89 L N 0.800 121.958 121.223 -0.108 0.000 2.424 89 L HA 0.535 4.875 4.340 0.000 0.000 0.258 89 L C -0.012 176.889 176.870 0.051 0.000 0.995 89 L CA -0.990 53.800 54.840 -0.083 0.000 0.821 89 L CB 2.292 44.193 42.059 -0.263 0.000 1.383 89 L HN 0.802 nan 8.230 nan 0.000 0.410 90 T N -3.709 110.937 114.554 0.154 0.000 2.754 90 T HA 0.093 4.443 4.350 0.000 0.000 0.286 90 T C 0.740 175.553 174.700 0.188 0.000 0.997 90 T CA -0.217 61.975 62.100 0.154 0.000 0.982 90 T CB 0.743 69.705 68.868 0.156 0.000 1.027 90 T HN 0.741 nan 8.240 nan 0.000 0.529 91 D N -0.211 120.265 120.400 0.127 0.000 2.403 91 D HA -0.010 4.630 4.640 0.000 0.000 0.227 91 D C 1.808 178.178 176.300 0.117 0.000 0.995 91 D CA 0.846 54.913 54.000 0.112 0.000 0.928 91 D CB -0.707 40.136 40.800 0.072 0.000 0.887 91 D HN 0.671 nan 8.370 nan 0.000 0.529 92 A N -0.561 122.342 122.820 0.139 0.000 2.119 92 A HA -0.080 4.240 4.320 0.000 0.000 0.217 92 A C 1.135 178.707 177.584 -0.020 0.000 1.153 92 A CA 0.432 52.505 52.037 0.059 0.000 0.692 92 A CB -0.787 18.249 19.000 0.060 0.000 0.799 92 A HN 0.318 nan 8.150 nan 0.000 0.458 93 Y N 0.135 120.491 120.300 0.093 0.000 2.493 93 Y HA 0.140 4.690 4.550 0.000 0.000 0.275 93 Y C 1.783 177.741 175.900 0.095 0.000 1.183 93 Y CA 0.004 58.173 58.100 0.115 0.000 1.258 93 Y CB -0.012 38.530 38.460 0.138 0.000 1.108 93 Y HN 0.450 nan 8.280 nan 0.000 0.521 94 E N -0.490 119.798 120.200 0.147 0.000 2.160 94 E HA -0.242 4.108 4.350 0.000 0.000 0.195 94 E C 2.044 178.702 176.600 0.095 0.000 0.991 94 E CA 1.525 57.992 56.400 0.111 0.000 0.810 94 E CB -0.229 29.516 29.700 0.075 0.000 0.742 94 E HN 0.644 nan 8.360 nan 0.000 0.466 95 C N -0.383 118.958 119.300 0.068 0.000 2.449 95 C HA 0.059 4.519 4.460 0.000 0.000 0.283 95 C C 1.802 176.852 174.990 0.100 0.000 1.453 95 C CA -0.090 58.963 59.018 0.058 0.000 1.779 95 C CB -1.018 26.733 27.740 0.017 0.000 1.779 95 C HN 0.230 nan 8.230 nan 0.000 0.546 96 L N 0.767 122.087 121.223 0.160 0.000 2.910 96 L HA 0.211 4.551 4.340 0.000 0.000 0.252 96 L C 1.618 178.611 176.870 0.205 0.000 1.195 96 L CA 0.225 55.201 54.840 0.227 0.000 1.003 96 L CB -0.415 41.868 42.059 0.373 0.000 1.328 96 L HN 0.179 nan 8.230 nan 0.000 0.540 97 D N 1.542 122.034 120.400 0.153 0.000 2.309 97 D HA -0.133 4.507 4.640 0.000 0.000 0.212 97 D C 1.643 178.010 176.300 0.112 0.000 0.968 97 D CA 1.029 55.105 54.000 0.127 0.000 0.882 97 D CB 0.473 41.330 40.800 0.094 0.000 0.918 97 D HN 0.291 nan 8.370 nan 0.000 0.503 98 A N -0.982 121.902 122.820 0.105 0.000 2.545 98 A HA 0.412 4.733 4.320 0.000 0.000 0.277 98 A C 0.823 178.472 177.584 0.108 0.000 1.301 98 A CA -0.292 51.789 52.037 0.075 0.000 0.935 98 A CB 0.465 19.485 19.000 0.034 0.000 1.093 98 A HN 0.039 nan 8.150 nan 0.000 0.519 99 S N -0.794 115.012 115.700 0.178 0.000 3.025 99 S HA 0.169 4.639 4.470 0.000 0.000 0.251 99 S C 1.145 175.885 174.600 0.233 0.000 0.954 99 S CA -0.477 57.888 58.200 0.274 0.000 1.092 99 S CB 0.044 63.474 63.200 0.383 0.000 1.079 99 S HN 0.596 nan 8.310 nan 0.000 0.543 100 R N 1.792 122.406 120.500 0.190 0.000 2.096 100 R HA -0.032 4.308 4.340 0.000 0.000 0.235 100 R C -1.133 175.268 176.300 0.168 0.000 1.127 100 R CA 1.290 57.511 56.100 0.202 0.000 0.968 100 R CB -1.201 29.291 30.300 0.319 0.000 0.861 100 R HN 0.288 nan 8.270 nan 0.000 0.440 101 P HA -0.151 nan 4.420 nan 0.000 0.220 101 P C 0.403 177.610 177.300 -0.154 0.000 1.148 101 P CA 1.007 64.070 63.100 -0.062 0.000 0.803 101 P CB -0.063 31.502 31.700 -0.225 0.000 0.782 102 W N -0.561 120.572 121.300 -0.278 0.000 2.358 102 W HA -0.124 4.536 4.660 0.000 0.000 0.303 102 W C 2.091 178.094 176.519 -0.860 0.000 1.208 102 W CA 0.426 57.337 57.345 -0.724 0.000 1.274 102 W CB -0.739 28.135 29.460 -0.976 0.000 1.138 102 W HN -0.123 nan 8.180 nan 0.000 0.515 103 L N -1.046 120.095 121.223 -0.136 0.000 2.046 103 L HA -0.287 4.054 4.340 0.000 0.000 0.208 103 L C 2.392 179.222 176.870 -0.066 0.000 1.077 103 L CA 1.123 55.972 54.840 0.015 0.000 0.747 103 L CB -1.024 41.035 42.059 -0.000 0.000 0.896 103 L HN 0.089 nan 8.230 nan 0.000 0.432 104 C N -1.276 117.986 119.300 -0.063 0.000 2.432 104 C HA -0.234 4.226 4.460 0.000 0.000 0.277 104 C C 2.744 177.718 174.990 -0.028 0.000 1.249 104 C CA 0.701 59.686 59.018 -0.055 0.000 1.725 104 C CB -0.821 26.920 27.740 0.002 0.000 2.028 104 C HN 0.562 nan 8.230 nan 0.000 0.477 105 Y N 0.602 120.819 120.300 -0.139 0.000 2.114 105 Y HA -0.168 4.382 4.550 0.000 0.000 0.284 105 Y C 2.322 178.269 175.900 0.079 0.000 1.143 105 Y CA 1.413 59.453 58.100 -0.100 0.000 1.135 105 Y CB -0.761 37.581 38.460 -0.196 0.000 0.980 105 Y HN 0.371 nan 8.280 nan 0.000 0.499 106 W N 0.668 121.847 121.300 -0.202 0.000 2.338 106 W HA -0.231 4.429 4.660 0.000 0.000 0.304 106 W C 2.494 178.864 176.519 -0.248 0.000 1.212 106 W CA 1.480 58.637 57.345 -0.313 0.000 1.264 106 W CB -1.277 28.201 29.460 0.031 0.000 1.142 106 W HN 0.206 nan 8.180 nan 0.000 0.512 107 I N -0.330 120.264 120.570 0.040 0.000 2.202 107 I HA -0.297 3.873 4.170 0.000 0.000 0.242 107 I C 2.451 178.525 176.117 -0.071 0.000 1.091 107 I CA 1.094 62.354 61.300 -0.066 0.000 1.368 107 I CB -0.801 37.056 38.000 -0.239 0.000 1.058 107 I HN -0.162 nan 8.210 nan 0.000 0.410 108 L N -0.128 121.050 121.223 -0.074 0.000 2.046 108 L HA -0.257 4.083 4.340 0.000 0.000 0.208 108 L C 2.746 179.601 176.870 -0.024 0.000 1.077 108 L CA 1.390 56.205 54.840 -0.041 0.000 0.747 108 L CB -0.805 41.242 42.059 -0.020 0.000 0.896 108 L HN 0.339 nan 8.230 nan 0.000 0.432 109 H N -0.365 118.572 119.070 -0.221 0.000 2.389 109 H HA -0.090 4.466 4.556 0.000 0.000 0.299 109 H C 2.365 177.587 175.328 -0.177 0.000 1.081 109 H CA 1.532 57.438 56.048 -0.237 0.000 1.345 109 H CB 0.121 29.581 29.762 -0.502 0.000 1.393 109 H HN 0.114 nan 8.280 nan 0.000 0.520 110 S N -0.095 115.460 115.700 -0.241 0.000 2.368 110 S HA -0.086 4.384 4.470 0.000 0.000 0.224 110 S C 2.330 176.854 174.600 -0.126 0.000 1.029 110 S CA 1.175 59.240 58.200 -0.225 0.000 0.988 110 S CB -0.257 62.885 63.200 -0.096 0.000 0.838 110 S HN 0.355 nan 8.310 nan 0.000 0.462 111 L N 1.349 122.542 121.223 -0.050 0.000 2.046 111 L HA -0.140 4.200 4.340 0.000 0.000 0.208 111 L C 2.735 179.585 176.870 -0.033 0.000 1.077 111 L CA 1.482 56.329 54.840 0.012 0.000 0.747 111 L CB -0.532 41.557 42.059 0.050 0.000 0.896 111 L HN 0.420 nan 8.230 nan 0.000 0.432 112 E N 0.821 120.986 120.200 -0.057 0.000 2.051 112 E HA -0.236 4.114 4.350 0.000 0.000 0.192 112 E C 2.338 178.889 176.600 -0.082 0.000 0.991 112 E CA 1.213 57.587 56.400 -0.043 0.000 0.799 112 E CB -0.093 29.619 29.700 0.019 0.000 0.748 112 E HN 0.468 nan 8.360 nan 0.000 0.449 113 L N 0.560 121.671 121.223 -0.185 0.000 2.083 113 L HA -0.158 4.182 4.340 0.000 0.000 0.209 113 L C 2.426 179.248 176.870 -0.079 0.000 1.083 113 L CA 0.796 55.536 54.840 -0.168 0.000 0.752 113 L CB -0.212 41.668 42.059 -0.298 0.000 0.899 113 L HN 0.254 nan 8.230 nan 0.000 0.433 114 L N -0.627 120.554 121.223 -0.070 0.000 2.599 114 L HA -0.044 4.296 4.340 0.000 0.000 0.230 114 L C 0.372 177.208 176.870 -0.056 0.000 1.141 114 L CA 0.045 54.863 54.840 -0.036 0.000 0.877 114 L CB -0.437 41.621 42.059 -0.000 0.000 1.009 114 L HN 0.272 nan 8.230 nan 0.000 0.447 115 D N 1.103 121.470 120.400 -0.055 0.000 2.723 115 D HA -0.181 4.460 4.640 0.000 0.000 0.236 115 D C -0.094 176.147 176.300 -0.099 0.000 1.138 115 D CA 0.592 54.556 54.000 -0.061 0.000 0.676 115 D CB -0.322 40.448 40.800 -0.050 0.000 1.069 115 D HN 0.253 nan 8.370 nan 0.000 0.430 116 E N 1.104 121.242 120.200 -0.104 0.000 2.081 116 E HA 0.302 4.653 4.350 0.000 0.000 0.276 116 E C -1.938 174.617 176.600 -0.074 0.000 0.950 116 E CA -1.622 54.677 56.400 -0.167 0.000 0.776 116 E CB 1.135 30.722 29.700 -0.188 0.000 1.094 116 E HN 0.312 nan 8.360 nan 0.000 0.402 117 P HA 0.085 nan 4.420 nan 0.000 0.267 117 P C -0.172 177.129 177.300 0.001 0.000 1.200 117 P CA -0.194 62.884 63.100 -0.036 0.000 0.772 117 P CB 0.872 32.546 31.700 -0.043 0.000 0.855 118 I N 3.717 124.286 120.570 -0.002 0.000 2.297 118 I HA 0.246 4.416 4.170 0.000 0.000 0.291 118 I C -1.886 174.229 176.117 -0.003 0.000 1.033 118 I CA -2.843 58.460 61.300 0.005 0.000 1.253 118 I CB -0.210 37.782 38.000 -0.012 0.000 1.396 118 I HN 0.181 nan 8.210 nan 0.000 0.476 119 P HA 0.002 nan 4.420 nan 0.000 0.265 119 P C 0.948 178.240 177.300 -0.014 0.000 1.187 119 P CA -0.146 62.954 63.100 0.001 0.000 0.766 119 P CB 0.759 32.466 31.700 0.012 0.000 0.820 120 Q N 2.249 122.037 119.800 -0.019 0.000 2.112 120 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 120 Q C 1.637 177.621 176.000 -0.026 0.000 0.987 120 Q CA 1.746 57.532 55.803 -0.028 0.000 0.858 120 Q CB -0.171 28.551 28.738 -0.026 0.000 0.905 120 Q HN 0.439 nan 8.270 nan 0.000 0.420 121 I N -0.033 120.526 120.570 -0.019 0.000 2.226 121 I HA -0.215 3.955 4.170 0.000 0.000 0.245 121 I C 2.472 178.576 176.117 -0.022 0.000 1.100 121 I CA 0.743 62.032 61.300 -0.019 0.000 1.374 121 I CB -1.314 36.677 38.000 -0.015 0.000 1.057 121 I HN 0.007 nan 8.210 nan 0.000 0.413 122 V N 1.340 121.240 119.914 -0.023 0.000 2.358 122 V HA -0.230 3.890 4.120 0.000 0.000 0.246 122 V C 2.840 178.915 176.094 -0.031 0.000 1.047 122 V CA 1.694 63.976 62.300 -0.031 0.000 1.035 122 V CB -1.077 30.728 31.823 -0.030 0.000 0.658 122 V HN 0.440 nan 8.190 nan 0.000 0.452 123 A N -0.243 122.558 122.820 -0.033 0.000 1.908 123 A HA -0.258 4.063 4.320 0.000 0.000 0.218 123 A C 2.403 179.965 177.584 -0.037 0.000 1.181 123 A CA 2.684 54.696 52.037 -0.042 0.000 0.627 123 A CB -1.035 17.933 19.000 -0.055 0.000 0.818 123 A HN 0.502 nan 8.150 nan 0.000 0.445 124 T N 0.091 114.626 114.554 -0.032 0.000 2.777 124 T HA -0.111 4.239 4.350 0.000 0.000 0.266 124 T C 1.501 176.199 174.700 -0.003 0.000 1.040 124 T CA 1.522 63.608 62.100 -0.023 0.000 1.141 124 T CB -0.418 68.437 68.868 -0.021 0.000 0.868 124 T HN 0.474 nan 8.240 nan 0.000 0.444 125 D N 0.819 121.218 120.400 -0.003 0.000 2.117 125 D HA -0.051 4.589 4.640 0.000 0.000 0.197 125 D C 2.250 178.580 176.300 0.050 0.000 0.987 125 D CA 0.597 54.605 54.000 0.014 0.000 0.829 125 D CB -0.572 40.220 40.800 -0.012 0.000 0.961 125 D HN 0.197 nan 8.370 nan 0.000 0.460 126 V N 0.602 120.533 119.914 0.030 0.000 2.295 126 V HA -0.275 3.845 4.120 0.000 0.000 0.246 126 V C 2.698 178.844 176.094 0.086 0.000 1.049 126 V CA 1.281 63.623 62.300 0.070 0.000 1.024 126 V CB -0.557 31.274 31.823 0.013 0.000 0.648 126 V HN 0.295 nan 8.190 nan 0.000 0.447 127 C N -0.347 118.970 119.300 0.029 0.000 2.413 127 C HA -0.226 4.234 4.460 0.000 0.000 0.276 127 C C 2.879 177.893 174.990 0.039 0.000 1.236 127 C CA 1.246 60.273 59.018 0.015 0.000 1.735 127 C CB -1.185 26.548 27.740 -0.012 0.000 2.031 127 C HN 0.610 nan 8.230 nan 0.000 0.474 128 Q N -0.625 119.206 119.800 0.051 0.000 2.096 128 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 128 Q C 2.052 178.102 176.000 0.083 0.000 0.982 128 Q CA 1.767 57.603 55.803 0.057 0.000 0.850 128 Q CB -0.437 28.335 28.738 0.056 0.000 0.901 128 Q HN 0.777 nan 8.270 nan 0.000 0.422 129 F N 1.338 121.282 119.950 -0.010 0.000 2.146 129 F HA -0.136 4.391 4.527 0.000 0.000 0.298 129 F C 1.747 177.557 175.800 0.016 0.000 1.096 129 F CA 1.170 59.166 58.000 -0.008 0.000 1.275 129 F CB -0.190 38.792 39.000 -0.029 0.000 1.008 129 F HN -0.059 nan 8.300 nan 0.000 0.480 130 L N 0.091 121.196 121.223 -0.197 0.000 2.201 130 L HA -0.174 4.166 4.340 0.000 0.000 0.212 130 L C 2.453 179.313 176.870 -0.015 0.000 1.105 130 L CA 1.659 56.367 54.840 -0.220 0.000 0.775 130 L CB -0.822 41.164 42.059 -0.120 0.000 0.913 130 L HN 0.269 nan 8.230 nan 0.000 0.440 131 E N 0.896 121.092 120.200 -0.007 0.000 2.110 131 E HA -0.211 4.139 4.350 0.000 0.000 0.193 131 E C 2.289 178.842 176.600 -0.079 0.000 0.988 131 E CA 0.969 57.373 56.400 0.007 0.000 0.804 131 E CB -0.006 29.698 29.700 0.005 0.000 0.745 131 E HN 0.480 nan 8.360 nan 0.000 0.458 132 L N 0.088 121.232 121.223 -0.132 0.000 2.275 132 L HA -0.142 4.198 4.340 0.000 0.000 0.215 132 L C 2.297 179.048 176.870 -0.199 0.000 1.119 132 L CA 0.380 55.133 54.840 -0.145 0.000 0.790 132 L CB -0.097 41.895 42.059 -0.113 0.000 0.919 132 L HN 0.373 nan 8.230 nan 0.000 0.443 133 C N -1.008 118.129 119.300 -0.272 0.000 2.514 133 C HA -0.017 4.443 4.460 0.000 0.000 0.271 133 C C 1.524 176.440 174.990 -0.123 0.000 1.399 133 C CA -0.434 58.461 59.018 -0.204 0.000 1.765 133 C CB -0.738 26.846 27.740 -0.261 0.000 1.893 133 C HN 0.411 nan 8.230 nan 0.000 0.531 134 Q N 1.551 121.222 119.800 -0.215 0.000 2.313 134 Q HA 0.180 4.520 4.340 0.000 0.000 0.266 134 Q C 0.199 175.971 176.000 -0.380 0.000 0.989 134 Q CA 0.203 55.649 55.803 -0.595 0.000 0.890 134 Q CB 0.626 28.907 28.738 -0.762 0.000 1.200 134 Q HN 0.446 nan 8.270 nan 0.000 0.396 135 S N 3.975 119.434 115.700 -0.403 0.000 2.586 135 S HA 0.337 4.808 4.470 0.000 0.000 0.274 135 S C -1.622 172.834 174.600 -0.240 0.000 1.281 135 S CA -1.550 56.494 58.200 -0.260 0.000 1.035 135 S CB 0.825 63.874 63.200 -0.252 0.000 0.962 135 S HN 0.670 nan 8.310 nan 0.000 0.512 136 P HA -0.090 nan 4.420 nan 0.000 0.226 136 P C 0.636 177.865 177.300 -0.119 0.000 1.153 136 P CA 0.878 63.905 63.100 -0.122 0.000 0.777 136 P CB -0.116 31.539 31.700 -0.076 0.000 0.794 137 E N -0.088 120.032 120.200 -0.133 0.000 2.489 137 E HA 0.302 4.652 4.350 0.000 0.000 0.193 137 E C 0.618 177.137 176.600 -0.136 0.000 1.057 137 E CA 0.103 56.441 56.400 -0.104 0.000 0.866 137 E CB -0.339 29.316 29.700 -0.075 0.000 0.916 137 E HN 0.108 nan 8.360 nan 0.000 0.500 138 G N -0.433 108.221 108.800 -0.243 0.000 2.650 138 G HA2 0.297 4.257 3.960 0.000 0.000 0.686 138 G HA3 0.297 4.257 3.960 0.000 0.000 0.686 138 G C 0.275 174.843 174.900 -0.552 0.000 1.205 138 G CA -0.595 44.341 45.100 -0.273 0.000 0.781 138 G HN 1.004 nan 8.290 nan 0.000 0.648 139 G N -0.771 107.758 108.800 -0.452 0.000 2.796 139 G HA2 0.366 4.326 3.960 0.000 0.000 0.571 139 G HA3 0.366 4.326 3.960 0.000 0.000 0.571 139 G C -0.489 174.073 174.900 -0.563 0.000 1.370 139 G CA 0.134 44.987 45.100 -0.412 0.000 0.856 139 G HN 1.778 nan 8.290 nan 0.000 0.538 140 F N 0.309 120.139 119.950 -0.199 0.000 2.546 140 F HA 0.717 5.244 4.527 0.000 0.000 0.320 140 F C 1.069 176.795 175.800 -0.124 0.000 1.076 140 F CA 0.197 58.095 58.000 -0.170 0.000 0.928 140 F CB 2.173 41.070 39.000 -0.171 0.000 1.189 140 F HN 0.825 nan 8.300 nan 0.000 0.465 141 G N -0.104 108.725 108.800 0.048 0.000 2.521 141 G HA2 0.446 4.406 3.960 0.000 0.000 0.323 141 G HA3 0.446 4.406 3.960 0.000 0.000 0.323 141 G C 0.783 175.693 174.900 0.016 0.000 1.211 141 G CA -0.451 44.669 45.100 0.034 0.000 0.979 141 G HN 0.905 nan 8.290 nan 0.000 0.490 142 G N -1.650 107.156 108.800 0.010 0.000 2.679 142 G HA2 0.439 4.399 3.960 0.000 0.000 0.212 142 G HA3 0.439 4.399 3.960 0.000 0.000 0.212 142 G C 0.683 175.618 174.900 0.058 0.000 1.137 142 G CA 0.973 46.088 45.100 0.024 0.000 0.787 142 G HN 1.228 nan 8.290 nan 0.000 0.534 143 G N -1.427 107.386 108.800 0.022 0.000 2.523 143 G HA2 0.485 4.445 3.960 0.000 0.000 0.291 143 G HA3 0.485 4.445 3.960 0.000 0.000 0.291 143 G C -3.426 171.459 174.900 -0.025 0.000 1.450 143 G CA -1.006 44.125 45.100 0.050 0.000 0.790 143 G HN -0.115 nan 8.290 nan 0.000 0.496 144 P HA 0.297 nan 4.420 nan 0.000 0.263 144 P C 1.054 178.333 177.300 -0.035 0.000 1.195 144 P CA 2.045 65.119 63.100 -0.044 0.000 0.762 144 P CB 0.955 32.661 31.700 0.010 0.000 0.799 145 G N 1.839 110.608 108.800 -0.052 0.000 2.179 145 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 145 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 145 G C 0.164 175.013 174.900 -0.085 0.000 0.977 145 G CA -0.239 44.829 45.100 -0.053 0.000 0.641 145 G HN 0.559 nan 8.290 nan 0.000 0.533 146 Q N -0.570 119.183 119.800 -0.079 0.000 2.306 146 Q HA 0.527 4.867 4.340 0.000 0.000 0.241 146 Q C 0.118 176.110 176.000 -0.013 0.000 0.948 146 Q CA -0.659 55.077 55.803 -0.112 0.000 0.886 146 Q CB 0.843 29.543 28.738 -0.063 0.000 1.227 146 Q HN 0.493 nan 8.270 nan 0.000 0.457 147 Y N 1.856 122.146 120.300 -0.016 0.000 2.457 147 Y HA 0.051 4.601 4.550 0.000 0.000 0.341 147 Y C -1.561 174.328 175.900 -0.020 0.000 1.240 147 Y CA -1.874 56.219 58.100 -0.012 0.000 1.437 147 Y CB 0.170 38.654 38.460 0.040 0.000 1.328 147 Y HN 0.435 nan 8.280 nan 0.000 0.588 148 P HA 0.004 nan 4.420 nan 0.000 0.272 148 P C -1.090 176.344 177.300 0.224 0.000 1.223 148 P CA 0.444 63.507 63.100 -0.062 0.000 0.784 148 P CB 1.237 32.566 31.700 -0.618 0.000 0.923 149 H N 1.715 120.877 119.070 0.154 0.000 3.038 149 H HA 0.193 4.749 4.556 0.000 0.000 0.362 149 H C 0.686 176.173 175.328 0.264 0.000 1.167 149 H CA -0.559 55.650 56.048 0.267 0.000 1.197 149 H CB 1.586 31.434 29.762 0.143 0.000 1.840 149 H HN 0.206 nan 8.280 nan 0.000 0.540 150 L N 2.654 124.060 121.223 0.305 0.000 2.131 150 L HA -0.144 4.196 4.340 0.000 0.000 0.210 150 L C 2.489 179.540 176.870 0.302 0.000 1.092 150 L CA 1.480 56.481 54.840 0.269 0.000 0.759 150 L CB -0.432 41.694 42.059 0.111 0.000 0.903 150 L HN 0.666 nan 8.230 nan 0.000 0.435 151 A N 0.968 124.111 122.820 0.537 0.000 1.832 151 A HA -0.103 4.218 4.320 0.000 0.000 0.214 151 A C -0.093 177.369 177.584 -0.203 0.000 1.200 151 A CA 1.587 53.832 52.037 0.346 0.000 0.610 151 A CB -1.888 17.506 19.000 0.657 0.000 0.842 151 A HN 0.275 nan 8.150 nan 0.000 0.444 152 P HA -0.099 nan 4.420 nan 0.000 0.220 152 P C 1.243 178.378 177.300 -0.275 0.000 1.148 152 P CA 1.629 64.503 63.100 -0.377 0.000 0.803 152 P CB -0.345 31.274 31.700 -0.136 0.000 0.782 153 T N -0.745 113.789 114.554 -0.033 0.000 2.737 153 T HA -0.180 4.170 4.350 0.000 0.000 0.265 153 T C 1.708 176.318 174.700 -0.150 0.000 1.038 153 T CA 1.197 63.328 62.100 0.052 0.000 1.144 153 T CB -1.089 67.920 68.868 0.235 0.000 0.866 153 T HN 0.082 nan 8.240 nan 0.000 0.434 154 Y N 2.269 122.407 120.300 -0.269 0.000 2.128 154 Y HA -0.091 4.459 4.550 0.000 0.000 0.284 154 Y C 2.485 178.059 175.900 -0.543 0.000 1.154 154 Y CA 1.103 58.998 58.100 -0.341 0.000 1.149 154 Y CB -0.788 37.513 38.460 -0.265 0.000 0.976 154 Y HN 0.164 nan 8.280 nan 0.000 0.505 155 A N 0.805 123.121 122.820 -0.840 0.000 1.877 155 A HA -0.113 4.207 4.320 0.000 0.000 0.216 155 A C 2.458 179.623 177.584 -0.698 0.000 1.186 155 A CA 2.100 53.544 52.037 -0.989 0.000 0.620 155 A CB -1.593 16.727 19.000 -1.134 0.000 0.822 155 A HN 0.669 nan 8.150 nan 0.000 0.443 156 A N -0.619 121.790 122.820 -0.686 0.000 1.877 156 A HA -0.013 4.307 4.320 0.000 0.000 0.216 156 A C 2.237 179.405 177.584 -0.694 0.000 1.186 156 A CA 1.834 53.401 52.037 -0.782 0.000 0.620 156 A CB -0.985 17.152 19.000 -1.438 0.000 0.822 156 A HN 0.406 nan 8.150 nan 0.000 0.443 157 V N 0.766 120.295 119.914 -0.641 0.000 2.343 157 V HA -0.249 3.871 4.120 0.000 0.000 0.247 157 V C 2.353 178.246 176.094 -0.335 0.000 1.051 157 V CA 2.224 64.283 62.300 -0.402 0.000 1.036 157 V CB -1.011 30.636 31.823 -0.293 0.000 0.654 157 V HN 0.546 nan 8.190 nan 0.000 0.451 158 N N 0.388 118.792 118.700 -0.493 0.000 2.142 158 N HA -0.091 4.649 4.740 0.000 0.000 0.186 158 N C 1.868 177.282 175.510 -0.159 0.000 1.023 158 N CA 1.630 54.432 53.050 -0.413 0.000 0.852 158 N CB -0.543 37.433 38.487 -0.851 0.000 0.998 158 N HN 0.462 nan 8.380 nan 0.000 0.424 159 A N 0.856 123.586 122.820 -0.150 0.000 1.902 159 A HA -0.074 4.246 4.320 0.000 0.000 0.217 159 A C 2.324 179.866 177.584 -0.070 0.000 1.181 159 A CA 1.001 53.015 52.037 -0.039 0.000 0.623 159 A CB -0.799 18.157 19.000 -0.073 0.000 0.818 159 A HN 0.258 nan 8.150 nan 0.000 0.443 160 L N -0.905 120.247 121.223 -0.119 0.000 2.083 160 L HA -0.242 4.098 4.340 0.000 0.000 0.209 160 L C 2.632 179.494 176.870 -0.013 0.000 1.083 160 L CA 1.202 56.000 54.840 -0.071 0.000 0.752 160 L CB -0.611 41.420 42.059 -0.047 0.000 0.899 160 L HN 0.492 nan 8.230 nan 0.000 0.433 161 C N -0.321 119.000 119.300 0.035 0.000 2.450 161 C HA -0.066 4.394 4.460 0.000 0.000 0.279 161 C C 2.697 177.720 174.990 0.054 0.000 1.335 161 C CA 0.171 59.266 59.018 0.129 0.000 1.749 161 C CB -0.559 27.227 27.740 0.076 0.000 1.963 161 C HN 0.426 nan 8.230 nan 0.000 0.501 162 I N 0.754 121.336 120.570 0.020 0.000 2.252 162 I HA -0.190 3.980 4.170 0.000 0.000 0.245 162 I C 2.287 178.392 176.117 -0.019 0.000 1.102 162 I CA 1.659 62.976 61.300 0.029 0.000 1.385 162 I CB -0.340 37.696 38.000 0.060 0.000 1.064 162 I HN 0.298 nan 8.210 nan 0.000 0.414 163 I N 0.623 121.157 120.570 -0.061 0.000 2.226 163 I HA -0.195 3.976 4.170 0.000 0.000 0.245 163 I C 1.910 177.915 176.117 -0.187 0.000 1.100 163 I CA 1.293 62.526 61.300 -0.111 0.000 1.374 163 I CB -0.846 37.078 38.000 -0.127 0.000 1.057 163 I HN 0.473 nan 8.210 nan 0.000 0.413 164 G N 1.724 110.360 108.800 -0.272 0.000 2.187 164 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 164 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 164 G C 0.434 174.859 174.900 -0.792 0.000 1.000 164 G CA 0.673 45.495 45.100 -0.464 0.000 0.718 164 G HN 0.523 nan 8.290 nan 0.000 0.519 165 T N -3.282 110.829 114.554 -0.739 0.000 2.918 165 T HA 0.629 4.980 4.350 0.000 0.000 0.283 165 T C 1.049 175.250 174.700 -0.833 0.000 1.001 165 T CA 0.160 61.903 62.100 -0.595 0.000 1.041 165 T CB 1.935 70.608 68.868 -0.325 0.000 1.028 165 T HN 0.193 nan 8.240 nan 0.000 0.511 166 E N 0.119 120.004 120.200 -0.524 0.000 2.204 166 E HA -0.195 4.156 4.350 0.000 0.000 0.195 166 E C 1.943 178.405 176.600 -0.231 0.000 0.990 166 E CA 1.171 57.333 56.400 -0.396 0.000 0.821 166 E CB 0.027 29.639 29.700 -0.146 0.000 0.750 166 E HN 0.909 nan 8.360 nan 0.000 0.477 167 E N 0.770 120.850 120.200 -0.200 0.000 2.077 167 E HA -0.218 4.132 4.350 0.000 0.000 0.193 167 E C 2.016 178.555 176.600 -0.102 0.000 0.989 167 E CA 1.112 57.448 56.400 -0.108 0.000 0.800 167 E CB -0.056 29.586 29.700 -0.096 0.000 0.746 167 E HN 0.207 nan 8.360 nan 0.000 0.452 168 A N 0.380 123.075 122.820 -0.208 0.000 1.873 168 A HA -0.147 4.173 4.320 0.000 0.000 0.215 168 A C 2.024 179.604 177.584 -0.006 0.000 1.186 168 A CA 1.377 53.323 52.037 -0.151 0.000 0.616 168 A CB -1.105 17.740 19.000 -0.259 0.000 0.823 168 A HN 0.507 nan 8.150 nan 0.000 0.442 169 Y N 0.354 120.601 120.300 -0.088 0.000 2.128 169 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 169 Y C 2.042 178.067 175.900 0.208 0.000 1.154 169 Y CA 0.765 58.873 58.100 0.012 0.000 1.149 169 Y CB -0.184 37.932 38.460 -0.573 0.000 0.976 169 Y HN 0.294 nan 8.280 nan 0.000 0.505 170 D N 0.039 120.600 120.400 0.268 0.000 2.350 170 D HA -0.111 4.529 4.640 0.000 0.000 0.216 170 D C 1.945 178.357 176.300 0.186 0.000 0.968 170 D CA 0.618 54.766 54.000 0.246 0.000 0.894 170 D CB -0.032 40.869 40.800 0.168 0.000 0.909 170 D HN 0.322 nan 8.370 nan 0.000 0.520 171 I N 1.236 121.907 120.570 0.167 0.000 2.226 171 I HA -0.151 4.019 4.170 0.000 0.000 0.245 171 I C 1.225 177.444 176.117 0.170 0.000 1.100 171 I CA 0.489 61.873 61.300 0.141 0.000 1.374 171 I CB -0.667 37.418 38.000 0.142 0.000 1.057 171 I HN -0.048 nan 8.210 nan 0.000 0.413 172 I N 2.630 123.347 120.570 0.245 0.000 2.662 172 I HA -0.127 4.043 4.170 0.000 0.000 0.285 172 I C 0.911 177.092 176.117 0.107 0.000 1.161 172 I CA 0.283 61.715 61.300 0.219 0.000 1.415 172 I CB -0.284 37.846 38.000 0.216 0.000 1.385 172 I HN 0.150 nan 8.210 nan 0.000 0.552 173 N N 7.286 125.987 118.700 0.001 0.000 2.555 173 N HA 0.115 4.856 4.740 0.000 0.000 0.244 173 N C 0.978 176.473 175.510 -0.025 0.000 1.114 173 N CA -0.048 52.987 53.050 -0.024 0.000 0.963 173 N CB 0.476 38.909 38.487 -0.090 0.000 1.276 173 N HN 0.476 nan 8.380 nan 0.000 0.510 174 R N 1.847 122.351 120.500 0.006 0.000 2.096 174 R HA -0.129 4.211 4.340 0.000 0.000 0.235 174 R C 0.970 177.255 176.300 -0.025 0.000 1.127 174 R CA 1.382 57.472 56.100 -0.017 0.000 0.968 174 R CB 0.188 30.486 30.300 -0.004 0.000 0.861 174 R HN 0.453 nan 8.270 nan 0.000 0.440 175 E N 0.717 120.904 120.200 -0.022 0.000 2.051 175 E HA -0.151 4.199 4.350 0.000 0.000 0.192 175 E C 1.818 178.388 176.600 -0.050 0.000 0.991 175 E CA 1.196 57.574 56.400 -0.037 0.000 0.799 175 E CB 0.042 29.723 29.700 -0.032 0.000 0.748 175 E HN 0.056 nan 8.360 nan 0.000 0.449 176 K N 0.173 120.545 120.400 -0.048 0.000 2.155 176 K HA -0.033 4.288 4.320 0.000 0.000 0.203 176 K C 2.087 178.683 176.600 -0.007 0.000 1.052 176 K CA 0.369 56.629 56.287 -0.045 0.000 0.948 176 K CB -0.454 31.999 32.500 -0.079 0.000 0.728 176 K HN 0.126 nan 8.250 nan 0.000 0.448 177 L N 1.240 122.455 121.223 -0.012 0.000 2.017 177 L HA -0.134 4.206 4.340 0.000 0.000 0.208 177 L C 2.103 179.025 176.870 0.088 0.000 1.073 177 L CA 1.376 56.247 54.840 0.052 0.000 0.745 177 L CB -0.754 41.320 42.059 0.025 0.000 0.894 177 L HN 0.061 nan 8.230 nan 0.000 0.432 178 L N -0.543 120.688 121.223 0.014 0.000 2.046 178 L HA -0.215 4.125 4.340 0.000 0.000 0.208 178 L C 2.499 179.347 176.870 -0.037 0.000 1.077 178 L CA 1.766 56.598 54.840 -0.013 0.000 0.747 178 L CB -0.765 41.238 42.059 -0.092 0.000 0.896 178 L HN 0.446 nan 8.230 nan 0.000 0.432 179 Q N -1.972 117.782 119.800 -0.077 0.000 2.084 179 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 179 Q C 2.148 178.193 176.000 0.075 0.000 0.978 179 Q CA 2.000 57.756 55.803 -0.077 0.000 0.844 179 Q CB -0.439 28.260 28.738 -0.065 0.000 0.898 179 Q HN 0.606 nan 8.270 nan 0.000 0.426 180 Y N 1.344 121.635 120.300 -0.015 0.000 2.145 180 Y HA -0.220 4.330 4.550 0.000 0.000 0.286 180 Y C 1.776 177.714 175.900 0.063 0.000 1.145 180 Y CA 1.339 59.443 58.100 0.008 0.000 1.148 180 Y CB -0.337 38.115 38.460 -0.014 0.000 0.981 180 Y HN 0.016 nan 8.280 nan 0.000 0.507 181 L N -1.418 119.786 121.223 -0.031 0.000 2.042 181 L HA -0.292 4.048 4.340 0.000 0.000 0.210 181 L C 2.251 179.152 176.870 0.051 0.000 1.076 181 L CA 1.556 56.367 54.840 -0.048 0.000 0.749 181 L CB -0.941 41.143 42.059 0.041 0.000 0.893 181 L HN 0.210 nan 8.230 nan 0.000 0.432 182 Y N 0.617 120.843 120.300 -0.124 0.000 2.165 182 Y HA -0.269 4.281 4.550 0.000 0.000 0.286 182 Y C 3.102 178.895 175.900 -0.178 0.000 1.155 182 Y CA 1.439 59.449 58.100 -0.150 0.000 1.164 182 Y CB -0.765 37.620 38.460 -0.124 0.000 0.978 182 Y HN 0.303 nan 8.280 nan 0.000 0.513 183 S N -0.828 114.865 115.700 -0.013 0.000 2.507 183 S HA -0.084 4.386 4.470 0.000 0.000 0.235 183 S C 1.490 175.983 174.600 -0.179 0.000 0.988 183 S CA 1.001 59.148 58.200 -0.087 0.000 0.944 183 S CB -0.651 62.522 63.200 -0.044 0.000 0.762 183 S HN 0.483 nan 8.310 nan 0.000 0.526 184 L N -0.594 120.493 121.223 -0.227 0.000 2.638 184 L HA 0.394 4.734 4.340 0.000 0.000 0.232 184 L C 0.715 177.410 176.870 -0.292 0.000 1.099 184 L CA -0.336 54.373 54.840 -0.218 0.000 0.883 184 L CB -0.012 41.931 42.059 -0.192 0.000 1.136 184 L HN 0.071 nan 8.230 nan 0.000 0.492 185 K N 1.888 122.016 120.400 -0.454 0.000 2.416 185 K HA 0.098 4.418 4.320 0.000 0.000 0.283 185 K C -0.188 176.042 176.600 -0.617 0.000 1.037 185 K CA 0.303 56.053 56.287 -0.895 0.000 0.995 185 K CB 0.479 32.433 32.500 -0.910 0.000 0.938 185 K HN -0.078 nan 8.250 nan 0.000 0.475 186 Q N 4.663 124.074 119.800 -0.650 0.000 2.205 186 Q HA 0.254 4.594 4.340 0.000 0.000 0.249 186 Q C -1.806 173.964 176.000 -0.383 0.000 0.948 186 Q CA -2.189 53.353 55.803 -0.435 0.000 0.895 186 Q CB 0.806 29.302 28.738 -0.404 0.000 1.249 186 Q HN 0.446 nan 8.270 nan 0.000 0.458 187 P HA -0.162 nan 4.420 nan 0.000 0.218 187 P C 0.433 177.633 177.300 -0.168 0.000 1.148 187 P CA 1.373 64.355 63.100 -0.198 0.000 0.822 187 P CB 0.217 31.832 31.700 -0.141 0.000 0.784 188 D N -1.930 118.370 120.400 -0.166 0.000 2.336 188 D HA 0.073 4.713 4.640 0.000 0.000 0.229 188 D C 1.425 177.667 176.300 -0.098 0.000 1.061 188 D CA 0.661 54.612 54.000 -0.081 0.000 0.875 188 D CB -0.846 39.953 40.800 -0.003 0.000 0.904 188 D HN 0.249 nan 8.370 nan 0.000 0.525 189 G N -0.146 108.509 108.800 -0.241 0.000 2.213 189 G HA2 -0.278 3.683 3.960 0.000 0.000 0.236 189 G HA3 -0.278 3.683 3.960 0.000 0.000 0.236 189 G C 0.485 175.127 174.900 -0.430 0.000 0.991 189 G CA 0.340 45.306 45.100 -0.222 0.000 0.629 189 G HN 0.819 nan 8.290 nan 0.000 0.517 190 S N -0.291 114.928 115.700 -0.803 0.000 2.655 190 S HA 0.820 5.291 4.470 0.000 0.000 0.265 190 S C -0.335 173.836 174.600 -0.715 0.000 1.240 190 S CA -0.443 57.118 58.200 -1.066 0.000 0.986 190 S CB 1.514 63.699 63.200 -1.692 0.000 0.985 190 S HN 0.541 nan 8.310 nan 0.000 0.562 191 F N -0.430 119.214 119.950 -0.510 0.000 2.563 191 F HA 0.526 5.053 4.527 0.000 0.000 0.316 191 F C -0.030 175.593 175.800 -0.294 0.000 1.076 191 F CA -1.044 56.756 58.000 -0.333 0.000 0.921 191 F CB 1.511 40.374 39.000 -0.229 0.000 1.209 191 F HN 0.445 nan 8.300 nan 0.000 0.462 192 L N 3.370 124.542 121.223 -0.086 0.000 2.418 192 L HA 0.183 4.524 4.340 0.000 0.000 0.265 192 L C 1.236 178.049 176.870 -0.095 0.000 1.143 192 L CA -0.660 54.101 54.840 -0.131 0.000 0.809 192 L CB 0.641 42.588 42.059 -0.188 0.000 1.124 192 L HN 0.671 nan 8.230 nan 0.000 0.456 193 M N 0.597 120.128 119.600 -0.115 0.000 2.319 193 M HA -0.006 4.474 4.480 0.000 0.000 0.265 193 M C 0.365 176.535 176.300 -0.217 0.000 1.068 193 M CA 1.200 56.411 55.300 -0.149 0.000 1.118 193 M CB -1.000 31.544 32.600 -0.094 0.000 1.395 193 M HN 0.786 nan 8.290 nan 0.000 0.435 194 H N -4.872 114.078 119.070 -0.200 0.000 2.950 194 H HA 0.454 5.010 4.556 0.000 0.000 0.307 194 H C -0.913 174.409 175.328 -0.009 0.000 1.403 194 H CA -1.204 54.812 56.048 -0.053 0.000 1.145 194 H CB 0.505 30.270 29.762 0.005 0.000 1.844 194 H HN -0.256 nan 8.280 nan 0.000 0.515 195 V N 1.771 121.743 119.914 0.096 0.000 2.539 195 V HA 0.223 4.343 4.120 0.000 0.000 0.300 195 V C 1.610 177.634 176.094 -0.115 0.000 1.019 195 V CA 1.753 64.039 62.300 -0.023 0.000 1.160 195 V CB 0.026 31.860 31.823 0.019 0.000 0.901 195 V HN 1.397 nan 8.190 nan 0.000 0.481 196 G N 3.582 112.280 108.800 -0.169 0.000 2.168 196 G HA2 -0.165 3.795 3.960 0.000 0.000 0.257 196 G HA3 -0.165 3.795 3.960 0.000 0.000 0.257 196 G C 0.501 175.226 174.900 -0.292 0.000 0.997 196 G CA 0.196 45.205 45.100 -0.152 0.000 0.708 196 G HN 1.341 nan 8.290 nan 0.000 0.520 197 G N -0.702 107.739 108.800 -0.599 0.000 2.557 197 G HA2 0.665 4.625 3.960 0.000 0.000 0.302 197 G HA3 0.665 4.625 3.960 0.000 0.000 0.302 197 G C 0.273 175.012 174.900 -0.268 0.000 1.311 197 G CA 0.184 44.839 45.100 -0.742 0.000 1.030 197 G HN 0.659 nan 8.290 nan 0.000 0.509 198 E N -0.997 119.136 120.200 -0.112 0.000 2.345 198 E HA 0.357 4.708 4.350 0.000 0.000 0.259 198 E C -0.980 175.600 176.600 -0.033 0.000 1.117 198 E CA -0.431 55.955 56.400 -0.025 0.000 0.913 198 E CB 1.461 31.198 29.700 0.060 0.000 1.057 198 E HN 0.087 nan 8.360 nan 0.000 0.432 199 V N 1.910 121.813 119.914 -0.019 0.000 2.495 199 V HA 0.405 4.525 4.120 0.000 0.000 0.298 199 V C -0.719 175.402 176.094 0.045 0.000 1.031 199 V CA -0.371 61.910 62.300 -0.031 0.000 0.871 199 V CB 1.199 32.967 31.823 -0.092 0.000 0.988 199 V HN 0.935 nan 8.190 nan 0.000 0.432 200 D N 2.353 122.797 120.400 0.072 0.000 2.671 200 D HA 0.151 4.791 4.640 0.000 0.000 0.273 200 D C 0.198 176.632 176.300 0.224 0.000 1.264 200 D CA -0.630 53.447 54.000 0.128 0.000 0.788 200 D CB 1.731 42.497 40.800 -0.055 0.000 1.324 200 D HN 0.123 nan 8.370 nan 0.000 0.424 201 V N 0.658 120.727 119.914 0.258 0.000 2.828 201 V HA -0.192 3.928 4.120 0.000 0.000 0.260 201 V C 1.994 178.265 176.094 0.295 0.000 1.101 201 V CA 1.818 64.334 62.300 0.361 0.000 1.123 201 V CB -0.695 31.261 31.823 0.221 0.000 0.704 201 V HN 0.564 nan 8.190 nan 0.000 0.493 202 R N 0.492 121.174 120.500 0.302 0.000 2.091 202 R HA -0.148 4.192 4.340 0.000 0.000 0.238 202 R C 2.600 179.032 176.300 0.221 0.000 1.136 202 R CA 1.737 58.016 56.100 0.299 0.000 0.959 202 R CB -0.545 29.944 30.300 0.315 0.000 0.856 202 R HN 0.784 nan 8.270 nan 0.000 0.437 203 S N 0.729 116.522 115.700 0.154 0.000 2.368 203 S HA -0.138 4.332 4.470 0.000 0.000 0.225 203 S C 2.263 176.837 174.600 -0.044 0.000 1.030 203 S CA 1.049 59.282 58.200 0.054 0.000 0.999 203 S CB -0.293 62.936 63.200 0.048 0.000 0.844 203 S HN 0.373 nan 8.310 nan 0.000 0.459 204 A N 0.776 123.631 122.820 0.057 0.000 1.902 204 A HA -0.045 4.275 4.320 0.000 0.000 0.217 204 A C 2.110 179.697 177.584 0.005 0.000 1.181 204 A CA 1.650 53.712 52.037 0.042 0.000 0.623 204 A CB -1.212 17.927 19.000 0.231 0.000 0.818 204 A HN 0.708 nan 8.150 nan 0.000 0.443 205 Y N 0.028 120.310 120.300 -0.029 0.000 2.184 205 Y HA -0.207 4.344 4.550 0.000 0.000 0.290 205 Y C 2.546 178.415 175.900 -0.052 0.000 1.129 205 Y CA 1.225 59.294 58.100 -0.052 0.000 1.144 205 Y CB -0.898 37.555 38.460 -0.012 0.000 0.995 205 Y HN 0.362 nan 8.280 nan 0.000 0.513 206 C N 0.624 119.784 119.300 -0.233 0.000 2.413 206 C HA -0.145 4.315 4.460 0.000 0.000 0.276 206 C C 3.079 177.973 174.990 -0.161 0.000 1.248 206 C CA 1.317 60.186 59.018 -0.248 0.000 1.742 206 C CB -1.777 25.940 27.740 -0.038 0.000 2.017 206 C HN 0.736 nan 8.230 nan 0.000 0.481 207 A N 0.499 123.194 122.820 -0.208 0.000 1.877 207 A HA 0.071 4.391 4.320 0.000 0.000 0.216 207 A C 2.380 179.967 177.584 0.005 0.000 1.186 207 A CA 2.126 54.036 52.037 -0.212 0.000 0.620 207 A CB -1.012 17.561 19.000 -0.711 0.000 0.822 207 A HN 0.576 nan 8.150 nan 0.000 0.443 208 A N -0.832 121.938 122.820 -0.084 0.000 1.933 208 A HA -0.101 4.219 4.320 0.000 0.000 0.218 208 A C 2.484 180.014 177.584 -0.091 0.000 1.175 208 A CA 2.228 54.136 52.037 -0.217 0.000 0.628 208 A CB -0.950 17.776 19.000 -0.457 0.000 0.814 208 A HN 0.581 nan 8.150 nan 0.000 0.444 209 S N -0.296 115.314 115.700 -0.151 0.000 2.343 209 S HA -0.162 4.308 4.470 0.000 0.000 0.219 209 S C 2.096 176.760 174.600 0.106 0.000 1.033 209 S CA 2.322 60.534 58.200 0.020 0.000 1.014 209 S CB -0.858 62.279 63.200 -0.105 0.000 0.915 209 S HN 1.023 nan 8.310 nan 0.000 0.435 210 V N 0.514 120.445 119.914 0.028 0.000 2.515 210 V HA 0.128 4.248 4.120 0.000 0.000 0.250 210 V C 2.496 178.574 176.094 -0.027 0.000 1.058 210 V CA 1.671 63.959 62.300 -0.019 0.000 1.064 210 V CB -1.639 30.179 31.823 -0.009 0.000 0.675 210 V HN 0.524 nan 8.190 nan 0.000 0.461 211 A N 1.636 124.482 122.820 0.044 0.000 1.929 211 A HA -0.096 4.224 4.320 0.000 0.000 0.216 211 A C 2.563 180.183 177.584 0.061 0.000 1.176 211 A CA 2.261 54.343 52.037 0.075 0.000 0.628 211 A CB -0.888 18.248 19.000 0.227 0.000 0.816 211 A HN 0.889 nan 8.150 nan 0.000 0.444 212 S N 0.026 115.777 115.700 0.085 0.000 2.371 212 S HA -0.018 4.452 4.470 0.000 0.000 0.224 212 S C 1.890 176.497 174.600 0.012 0.000 1.029 212 S CA 1.198 59.450 58.200 0.087 0.000 0.978 212 S CB -0.715 62.581 63.200 0.159 0.000 0.833 212 S HN 0.411 nan 8.310 nan 0.000 0.466 213 L N 1.965 123.152 121.223 -0.061 0.000 2.083 213 L HA -0.061 4.279 4.340 0.000 0.000 0.209 213 L C 2.827 179.570 176.870 -0.212 0.000 1.083 213 L CA 1.644 56.373 54.840 -0.185 0.000 0.752 213 L CB -0.985 40.914 42.059 -0.267 0.000 0.899 213 L HN 0.610 nan 8.230 nan 0.000 0.433 214 T N -4.287 110.042 114.554 -0.376 0.000 3.144 214 T HA 0.060 4.410 4.350 0.000 0.000 0.249 214 T C 0.811 175.320 174.700 -0.320 0.000 1.089 214 T CA 0.078 61.701 62.100 -0.795 0.000 0.989 214 T CB -0.323 68.075 68.868 -0.784 0.000 0.992 214 T HN 0.331 nan 8.240 nan 0.000 0.540 215 N N 1.412 120.058 118.700 -0.090 0.000 2.696 215 N HA -0.177 4.564 4.740 0.000 0.000 0.256 215 N C 0.235 175.757 175.510 0.020 0.000 1.031 215 N CA 0.934 53.995 53.050 0.018 0.000 0.730 215 N CB -1.896 36.638 38.487 0.079 0.000 0.894 215 N HN 0.926 nan 8.380 nan 0.000 0.544 216 I N -2.660 117.918 120.570 0.013 0.000 3.966 216 I HA 0.381 4.551 4.170 0.000 0.000 0.324 216 I C 0.051 176.201 176.117 0.054 0.000 1.517 216 I CA -0.661 60.654 61.300 0.024 0.000 1.117 216 I CB 0.086 38.079 38.000 -0.012 0.000 1.190 216 I HN 0.012 nan 8.210 nan 0.000 0.466 217 I N 3.443 124.071 120.570 0.096 0.000 2.471 217 I HA 0.150 4.320 4.170 0.000 0.000 0.286 217 I C 0.820 176.964 176.117 0.045 0.000 1.079 217 I CA 0.244 61.624 61.300 0.133 0.000 1.398 217 I CB 1.219 39.351 38.000 0.221 0.000 1.403 217 I HN 0.364 nan 8.210 nan 0.000 0.530 218 T N 2.679 117.200 114.554 -0.055 0.000 2.950 218 T HA 0.407 4.757 4.350 0.000 0.000 0.288 218 T C -1.972 172.628 174.700 -0.167 0.000 1.035 218 T CA -1.910 60.011 62.100 -0.299 0.000 1.028 218 T CB 1.784 70.361 68.868 -0.484 0.000 1.109 218 T HN 0.248 nan 8.240 nan 0.000 0.514 219 P HA -0.077 nan 4.420 nan 0.000 0.216 219 P C 1.153 178.420 177.300 -0.055 0.000 1.150 219 P CA 1.059 64.132 63.100 -0.044 0.000 0.837 219 P CB 0.051 31.759 31.700 0.014 0.000 0.786 220 D N -1.112 119.208 120.400 -0.133 0.000 2.346 220 D HA -0.047 4.593 4.640 0.000 0.000 0.206 220 D C 1.877 178.011 176.300 -0.277 0.000 1.001 220 D CA 0.169 54.073 54.000 -0.160 0.000 0.871 220 D CB -0.852 39.852 40.800 -0.160 0.000 0.943 220 D HN 0.043 nan 8.370 nan 0.000 0.518 221 L N 0.383 121.409 121.223 -0.330 0.000 2.021 221 L HA -0.131 4.209 4.340 0.000 0.000 0.215 221 L C 1.297 177.827 176.870 -0.566 0.000 1.074 221 L CA 1.750 56.253 54.840 -0.561 0.000 0.760 221 L CB -0.768 40.972 42.059 -0.532 0.000 0.889 221 L HN -0.054 nan 8.230 nan 0.000 0.433 222 F N -0.412 119.535 119.950 -0.006 0.000 2.668 222 F HA 0.258 4.785 4.527 0.000 0.000 0.297 222 F C 0.875 176.672 175.800 -0.005 0.000 1.124 222 F CA -0.529 57.503 58.000 0.054 0.000 1.353 222 F CB -0.308 38.742 39.000 0.083 0.000 0.992 222 F HN 0.113 nan 8.300 nan 0.000 0.524 223 E N 0.691 120.906 120.200 0.024 0.000 2.417 223 E HA 0.262 4.612 4.350 0.000 0.000 0.261 223 E C 1.371 177.970 176.600 -0.003 0.000 1.000 223 E CA 0.913 57.314 56.400 0.002 0.000 0.919 223 E CB 0.377 30.039 29.700 -0.064 0.000 0.955 223 E HN 0.553 nan 8.360 nan 0.000 0.455 224 G N 3.446 112.269 108.800 0.039 0.000 2.234 224 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 224 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 224 G C 1.070 176.041 174.900 0.119 0.000 0.987 224 G CA 0.645 45.776 45.100 0.050 0.000 0.625 224 G HN 0.625 nan 8.290 nan 0.000 0.532 225 T N 1.124 115.776 114.554 0.162 0.000 2.708 225 T HA 0.127 4.478 4.350 0.000 0.000 0.266 225 T C 2.796 177.648 174.700 0.253 0.000 1.037 225 T CA 2.554 64.811 62.100 0.263 0.000 1.146 225 T CB -0.489 68.633 68.868 0.424 0.000 0.865 225 T HN 1.232 nan 8.240 nan 0.000 0.435 226 A N 1.616 124.534 122.820 0.163 0.000 1.908 226 A HA -0.160 4.160 4.320 0.000 0.000 0.218 226 A C 2.222 179.864 177.584 0.096 0.000 1.181 226 A CA 1.810 53.910 52.037 0.104 0.000 0.627 226 A CB -0.569 18.467 19.000 0.060 0.000 0.818 226 A HN 0.437 nan 8.150 nan 0.000 0.445 227 E N -1.464 118.798 120.200 0.103 0.000 2.106 227 E HA -0.183 4.167 4.350 0.000 0.000 0.192 227 E C 1.555 178.206 176.600 0.085 0.000 0.984 227 E CA 1.196 57.639 56.400 0.072 0.000 0.806 227 E CB -0.375 29.365 29.700 0.067 0.000 0.750 227 E HN 0.846 nan 8.360 nan 0.000 0.458 228 W N 0.886 122.181 121.300 -0.008 0.000 2.381 228 W HA -0.077 4.583 4.660 0.000 0.000 0.301 228 W C 1.689 178.195 176.519 -0.021 0.000 1.205 228 W CA 1.357 58.693 57.345 -0.016 0.000 1.285 228 W CB -0.159 29.297 29.460 -0.007 0.000 1.133 228 W HN -0.022 nan 8.180 nan 0.000 0.521 229 I N 0.667 121.321 120.570 0.139 0.000 2.226 229 I HA -0.317 3.853 4.170 0.000 0.000 0.245 229 I C 2.599 178.601 176.117 -0.192 0.000 1.100 229 I CA 1.469 62.744 61.300 -0.043 0.000 1.374 229 I CB -1.094 36.963 38.000 0.094 0.000 1.057 229 I HN 0.076 nan 8.210 nan 0.000 0.413 230 A N 0.824 123.574 122.820 -0.117 0.000 1.940 230 A HA -0.211 4.109 4.320 0.000 0.000 0.219 230 A C 2.342 179.810 177.584 -0.193 0.000 1.176 230 A CA 1.475 53.435 52.037 -0.128 0.000 0.631 230 A CB -0.595 18.362 19.000 -0.071 0.000 0.814 230 A HN 0.344 nan 8.150 nan 0.000 0.446 231 R N -1.264 119.082 120.500 -0.256 0.000 2.237 231 R HA -0.087 4.253 4.340 0.000 0.000 0.219 231 R C 1.740 177.815 176.300 -0.374 0.000 1.080 231 R CA 1.158 57.082 56.100 -0.293 0.000 0.995 231 R CB -0.562 29.538 30.300 -0.333 0.000 0.875 231 R HN 0.608 nan 8.270 nan 0.000 0.462 232 C N 0.281 119.295 119.300 -0.477 0.000 2.514 232 C HA 0.006 4.466 4.460 0.000 0.000 0.271 232 C C 1.336 176.128 174.990 -0.330 0.000 1.399 232 C CA -0.355 58.384 59.018 -0.465 0.000 1.765 232 C CB -0.698 26.702 27.740 -0.566 0.000 1.893 232 C HN 0.459 nan 8.230 nan 0.000 0.531 233 Q N 2.578 122.209 119.800 -0.281 0.000 2.313 233 Q HA 0.150 4.490 4.340 0.000 0.000 0.266 233 Q C 0.148 176.000 176.000 -0.248 0.000 0.989 233 Q CA 0.318 55.958 55.803 -0.272 0.000 0.890 233 Q CB 0.583 29.193 28.738 -0.213 0.000 1.200 233 Q HN 0.704 nan 8.270 nan 0.000 0.396 234 N N 3.470 121.982 118.700 -0.312 0.000 2.879 234 N HA 0.140 4.880 4.740 0.000 0.000 0.329 234 N C 0.802 176.173 175.510 -0.231 0.000 1.337 234 N CA -0.559 52.346 53.050 -0.241 0.000 0.844 234 N CB -0.452 37.861 38.487 -0.291 0.000 1.236 234 N HN 0.875 nan 8.380 nan 0.000 0.601 235 W N -0.494 120.745 121.300 -0.102 0.000 2.364 235 W HA -0.029 4.631 4.660 0.000 0.000 0.281 235 W C 0.523 177.011 176.519 -0.051 0.000 1.219 235 W CA 0.871 58.178 57.345 -0.064 0.000 1.220 235 W CB -0.951 28.486 29.460 -0.039 0.000 1.127 235 W HN 0.571 nan 8.180 nan 0.000 0.556 236 E N 0.253 119.906 120.200 -0.910 0.000 2.274 236 E HA 0.098 4.448 4.350 0.000 0.000 0.194 236 E C 2.134 178.514 176.600 -0.367 0.000 0.996 236 E CA 1.068 57.021 56.400 -0.745 0.000 0.840 236 E CB -0.385 28.702 29.700 -1.022 0.000 0.772 236 E HN 0.446 nan 8.360 nan 0.000 0.491 237 G N 0.584 109.127 108.800 -0.427 0.000 2.284 237 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 237 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 237 G C 0.574 175.170 174.900 -0.507 0.000 1.009 237 G CA -0.226 44.709 45.100 -0.276 0.000 0.625 237 G HN 0.529 nan 8.290 nan 0.000 0.501 238 G N -0.359 107.721 108.800 -1.200 0.000 2.525 238 G HA2 0.631 4.591 3.960 0.000 0.000 0.287 238 G HA3 0.631 4.591 3.960 0.000 0.000 0.287 238 G C -0.188 174.177 174.900 -0.891 0.000 1.350 238 G CA -0.504 43.629 45.100 -1.612 0.000 1.039 238 G HN 0.669 nan 8.290 nan 0.000 0.513 239 I N 0.087 120.241 120.570 -0.693 0.000 2.474 239 I HA 0.473 4.643 4.170 0.000 0.000 0.294 239 I C 0.794 176.761 176.117 -0.251 0.000 1.005 239 I CA -0.726 60.345 61.300 -0.382 0.000 1.113 239 I CB 2.097 39.955 38.000 -0.237 0.000 1.289 239 I HN 0.582 nan 8.210 nan 0.000 0.436 240 G N 2.514 111.171 108.800 -0.239 0.000 2.511 240 G HA2 0.429 4.389 3.960 0.000 0.000 0.316 240 G HA3 0.429 4.389 3.960 0.000 0.000 0.316 240 G C 0.887 175.593 174.900 -0.324 0.000 1.210 240 G CA -0.198 44.804 45.100 -0.163 0.000 0.969 240 G HN 0.789 nan 8.290 nan 0.000 0.492 241 G N -1.414 107.023 108.800 -0.604 0.000 2.422 241 G HA2 0.220 4.180 3.960 0.000 0.000 0.218 241 G HA3 0.220 4.180 3.960 0.000 0.000 0.218 241 G C 0.659 175.264 174.900 -0.491 0.000 1.146 241 G CA 1.920 46.283 45.100 -1.228 0.000 0.769 241 G HN 1.506 nan 8.290 nan 0.000 0.547 242 V N -4.971 114.751 119.914 -0.321 0.000 3.188 242 V HA 0.657 4.778 4.120 0.000 0.000 0.305 242 V C -3.048 172.873 176.094 -0.288 0.000 1.232 242 V CA -2.989 59.179 62.300 -0.220 0.000 1.043 242 V CB 1.679 33.493 31.823 -0.014 0.000 1.068 242 V HN -0.142 nan 8.190 nan 0.000 0.439 243 P HA 0.357 nan 4.420 nan 0.000 0.262 243 P C 0.974 178.189 177.300 -0.141 0.000 1.182 243 P CA 2.171 65.105 63.100 -0.276 0.000 0.761 243 P CB 0.658 32.197 31.700 -0.268 0.000 0.795 244 G N 1.841 110.576 108.800 -0.108 0.000 2.258 244 G HA2 -0.216 3.744 3.960 0.000 0.000 0.233 244 G HA3 -0.216 3.744 3.960 0.000 0.000 0.233 244 G C 0.252 175.149 174.900 -0.006 0.000 1.006 244 G CA -0.378 44.703 45.100 -0.032 0.000 0.620 244 G HN 0.402 nan 8.290 nan 0.000 0.511 245 M N 1.361 120.928 119.600 -0.054 0.000 2.247 245 M HA 0.398 4.878 4.480 0.000 0.000 0.326 245 M C 0.765 177.044 176.300 -0.035 0.000 1.134 245 M CA -0.829 54.454 55.300 -0.027 0.000 1.136 245 M CB 0.844 33.410 32.600 -0.056 0.000 1.454 245 M HN 0.402 nan 8.290 nan 0.000 0.467 246 E N 1.146 121.359 120.200 0.022 0.000 2.452 246 E HA 0.235 4.585 4.350 0.000 0.000 0.261 246 E C -0.675 175.896 176.600 -0.048 0.000 0.987 246 E CA -0.345 56.058 56.400 0.005 0.000 0.926 246 E CB 0.697 30.453 29.700 0.093 0.000 0.934 246 E HN 0.683 nan 8.360 nan 0.000 0.452 247 A N 5.127 127.820 122.820 -0.212 0.000 2.488 247 A HA 0.089 4.409 4.320 0.000 0.000 0.249 247 A C -0.487 177.102 177.584 0.009 0.000 1.083 247 A CA 0.102 51.931 52.037 -0.346 0.000 0.768 247 A CB 0.317 18.759 19.000 -0.929 0.000 1.017 247 A HN 0.717 nan 8.150 nan 0.000 0.496 248 H N 1.551 120.607 119.070 -0.024 0.000 2.865 248 H HA 0.377 4.933 4.556 0.000 0.000 0.362 248 H C 1.223 176.637 175.328 0.143 0.000 1.114 248 H CA 0.159 56.276 56.048 0.115 0.000 1.208 248 H CB 1.812 31.608 29.762 0.056 0.000 1.727 248 H HN 0.679 nan 8.280 nan 0.000 0.534 249 G N 2.388 111.196 108.800 0.013 0.000 2.469 249 G HA2 -0.293 3.667 3.960 0.000 0.000 0.219 249 G HA3 -0.293 3.667 3.960 0.000 0.000 0.219 249 G C 1.517 176.528 174.900 0.184 0.000 1.150 249 G CA 0.912 46.092 45.100 0.133 0.000 0.763 249 G HN 0.675 nan 8.290 nan 0.000 0.561 250 G N -0.083 108.810 108.800 0.156 0.000 2.446 250 G HA2 -0.202 3.759 3.960 0.000 0.000 0.217 250 G HA3 -0.202 3.759 3.960 0.000 0.000 0.217 250 G C 1.624 176.385 174.900 -0.233 0.000 1.168 250 G CA 0.919 45.809 45.100 -0.350 0.000 0.771 250 G HN 0.543 nan 8.290 nan 0.000 0.551 251 Y N 0.705 121.007 120.300 0.002 0.000 2.373 251 Y HA -0.034 4.516 4.550 0.000 0.000 0.293 251 Y C 3.269 179.146 175.900 -0.039 0.000 1.129 251 Y CA 0.974 59.056 58.100 -0.030 0.000 1.226 251 Y CB 0.008 38.444 38.460 -0.040 0.000 1.000 251 Y HN 0.125 nan 8.280 nan 0.000 0.549 252 T N 0.287 114.915 114.554 0.124 0.000 2.857 252 T HA -0.177 4.173 4.350 0.000 0.000 0.266 252 T C 1.505 176.222 174.700 0.029 0.000 1.048 252 T CA 1.102 63.216 62.100 0.023 0.000 1.139 252 T CB -0.526 68.358 68.868 0.027 0.000 0.874 252 T HN 0.318 nan 8.240 nan 0.000 0.455 253 F N 1.620 121.566 119.950 -0.006 0.000 2.075 253 F HA -0.143 4.385 4.527 0.000 0.000 0.297 253 F C 2.428 178.134 175.800 -0.157 0.000 1.113 253 F CA 0.673 58.645 58.000 -0.046 0.000 1.218 253 F CB -0.841 38.226 39.000 0.111 0.000 0.984 253 F HN 0.138 nan 8.300 nan 0.000 0.472 254 C N 0.909 120.117 119.300 -0.152 0.000 2.398 254 C HA -0.154 4.306 4.460 0.000 0.000 0.276 254 C C 3.104 177.991 174.990 -0.170 0.000 1.222 254 C CA 1.360 60.214 59.018 -0.274 0.000 1.746 254 C CB -1.966 25.813 27.740 0.066 0.000 2.039 254 C HN 0.748 nan 8.230 nan 0.000 0.470 255 G N -0.043 108.709 108.800 -0.080 0.000 2.433 255 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 255 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 255 G C 1.499 176.328 174.900 -0.118 0.000 1.186 255 G CA 1.032 46.099 45.100 -0.055 0.000 0.779 255 G HN 0.451 nan 8.290 nan 0.000 0.543 256 L N 1.336 122.446 121.223 -0.187 0.000 2.056 256 L HA 0.231 4.571 4.340 0.000 0.000 0.207 256 L C 3.048 179.772 176.870 -0.244 0.000 1.078 256 L CA 2.036 56.764 54.840 -0.187 0.000 0.749 256 L CB -0.728 41.228 42.059 -0.172 0.000 0.901 256 L HN 0.240 nan 8.230 nan 0.000 0.433 257 A N -0.501 122.050 122.820 -0.448 0.000 1.902 257 A HA -0.091 4.229 4.320 0.000 0.000 0.217 257 A C 2.446 179.951 177.584 -0.132 0.000 1.181 257 A CA 1.739 53.529 52.037 -0.413 0.000 0.623 257 A CB -1.108 17.363 19.000 -0.882 0.000 0.818 257 A HN 0.554 nan 8.150 nan 0.000 0.443 258 A N -0.267 122.525 122.820 -0.048 0.000 1.902 258 A HA -0.023 4.297 4.320 0.000 0.000 0.217 258 A C 2.153 179.676 177.584 -0.101 0.000 1.181 258 A CA 1.450 53.474 52.037 -0.023 0.000 0.623 258 A CB -0.586 18.431 19.000 0.029 0.000 0.818 258 A HN 0.467 nan 8.150 nan 0.000 0.443 259 L N -0.521 120.654 121.223 -0.080 0.000 2.131 259 L HA -0.146 4.195 4.340 0.000 0.000 0.210 259 L C 2.489 179.322 176.870 -0.063 0.000 1.092 259 L CA 0.835 55.636 54.840 -0.066 0.000 0.759 259 L CB -0.482 41.547 42.059 -0.049 0.000 0.903 259 L HN 0.247 nan 8.230 nan 0.000 0.435 260 V N 0.209 120.082 119.914 -0.069 0.000 2.343 260 V HA -0.291 3.829 4.120 0.000 0.000 0.247 260 V C 2.307 178.382 176.094 -0.032 0.000 1.051 260 V CA 1.782 64.059 62.300 -0.039 0.000 1.036 260 V CB -0.273 31.526 31.823 -0.040 0.000 0.654 260 V HN 0.319 nan 8.190 nan 0.000 0.451 261 I N -0.358 120.170 120.570 -0.069 0.000 2.226 261 I HA -0.241 3.929 4.170 0.000 0.000 0.245 261 I C 2.038 178.108 176.117 -0.078 0.000 1.100 261 I CA 1.602 62.861 61.300 -0.068 0.000 1.374 261 I CB -0.217 37.707 38.000 -0.126 0.000 1.057 261 I HN 0.257 nan 8.210 nan 0.000 0.413 262 L N 0.197 121.346 121.223 -0.123 0.000 2.554 262 L HA 0.006 4.346 4.340 0.000 0.000 0.226 262 L C 0.590 177.442 176.870 -0.029 0.000 1.137 262 L CA 0.289 55.066 54.840 -0.105 0.000 0.863 262 L CB -0.375 41.598 42.059 -0.143 0.000 0.985 262 L HN 0.213 nan 8.230 nan 0.000 0.451 263 K N 0.749 121.140 120.400 -0.016 0.000 3.125 263 K HA -0.165 4.155 4.320 0.000 0.000 0.268 263 K C 0.118 176.722 176.600 0.006 0.000 1.078 263 K CA 0.220 56.512 56.287 0.008 0.000 0.775 263 K CB -0.747 31.767 32.500 0.024 0.000 1.253 263 K HN 0.215 nan 8.250 nan 0.000 0.486 264 R N -0.098 120.399 120.500 -0.005 0.000 2.642 264 R HA 0.059 4.399 4.340 0.000 0.000 0.435 264 R C 0.410 176.706 176.300 -0.006 0.000 1.046 264 R CA -0.020 56.080 56.100 -0.000 0.000 1.103 264 R CB 0.510 30.813 30.300 0.004 0.000 1.425 264 R HN 0.253 nan 8.270 nan 0.000 0.586 265 E N 0.736 120.931 120.200 -0.008 0.000 2.160 265 E HA -0.137 4.213 4.350 0.000 0.000 0.195 265 E C 1.377 177.973 176.600 -0.008 0.000 0.991 265 E CA 1.149 57.542 56.400 -0.012 0.000 0.810 265 E CB -0.072 29.625 29.700 -0.005 0.000 0.742 265 E HN 0.188 nan 8.360 nan 0.000 0.466 266 R N 0.410 120.909 120.500 -0.001 0.000 2.328 266 R HA 0.060 4.400 4.340 0.000 0.000 0.207 266 R C 1.636 177.934 176.300 -0.004 0.000 1.056 266 R CA 0.666 56.767 56.100 0.000 0.000 1.016 266 R CB -0.084 30.219 30.300 0.005 0.000 0.872 266 R HN 0.032 nan 8.270 nan 0.000 0.471 267 S N 0.584 116.280 115.700 -0.007 0.000 2.515 267 S HA 0.063 4.533 4.470 0.000 0.000 0.231 267 S C 0.835 175.421 174.600 -0.024 0.000 0.987 267 S CA 0.545 58.738 58.200 -0.011 0.000 0.936 267 S CB 0.073 63.269 63.200 -0.007 0.000 0.766 267 S HN 0.167 nan 8.310 nan 0.000 0.528 268 L N 1.484 122.691 121.223 -0.027 0.000 2.365 268 L HA 0.422 4.762 4.340 0.000 0.000 0.267 268 L C 0.391 177.245 176.870 -0.027 0.000 1.033 268 L CA -0.876 53.940 54.840 -0.040 0.000 0.802 268 L CB 0.387 42.416 42.059 -0.050 0.000 1.267 268 L HN -0.009 nan 8.230 nan 0.000 0.457 269 N N 1.406 120.087 118.700 -0.032 0.000 2.521 269 N HA 0.176 4.916 4.740 0.000 0.000 0.236 269 N C 0.514 176.021 175.510 -0.006 0.000 1.067 269 N CA 0.012 53.053 53.050 -0.015 0.000 0.939 269 N CB 0.724 39.201 38.487 -0.017 0.000 1.201 269 N HN 0.571 nan 8.380 nan 0.000 0.511 270 L N 2.167 123.395 121.223 0.008 0.000 2.201 270 L HA -0.075 4.265 4.340 0.000 0.000 0.212 270 L C 2.435 179.331 176.870 0.043 0.000 1.105 270 L CA 0.705 55.559 54.840 0.024 0.000 0.775 270 L CB -0.229 41.847 42.059 0.028 0.000 0.913 270 L HN 0.499 nan 8.230 nan 0.000 0.440 271 K N 0.889 121.312 120.400 0.040 0.000 2.025 271 K HA -0.163 4.157 4.320 0.000 0.000 0.207 271 K C 2.257 178.895 176.600 0.064 0.000 1.049 271 K CA 1.989 58.307 56.287 0.052 0.000 0.933 271 K CB -0.078 32.448 32.500 0.043 0.000 0.714 271 K HN 0.366 nan 8.250 nan 0.000 0.438 272 S N 1.086 116.816 115.700 0.049 0.000 2.428 272 S HA -0.098 4.372 4.470 0.000 0.000 0.230 272 S C 2.221 176.873 174.600 0.087 0.000 1.014 272 S CA 0.621 58.856 58.200 0.058 0.000 0.957 272 S CB -0.422 62.792 63.200 0.023 0.000 0.784 272 S HN 0.371 nan 8.310 nan 0.000 0.499 273 L N 0.204 121.466 121.223 0.065 0.000 2.044 273 L HA 0.047 4.388 4.340 0.000 0.000 0.205 273 L C 2.491 179.481 176.870 0.199 0.000 1.075 273 L CA 1.212 56.113 54.840 0.102 0.000 0.747 273 L CB -0.356 41.725 42.059 0.037 0.000 0.903 273 L HN 0.375 nan 8.230 nan 0.000 0.435 274 L N 0.037 121.346 121.223 0.144 0.000 2.017 274 L HA -0.291 4.050 4.340 0.000 0.000 0.208 274 L C 2.490 179.453 176.870 0.155 0.000 1.073 274 L CA 2.031 56.961 54.840 0.149 0.000 0.745 274 L CB -0.656 41.477 42.059 0.124 0.000 0.894 274 L HN 0.352 nan 8.230 nan 0.000 0.432 275 Q N -1.843 118.043 119.800 0.143 0.000 2.124 275 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 275 Q C 2.059 178.142 176.000 0.137 0.000 0.977 275 Q CA 2.147 58.025 55.803 0.123 0.000 0.850 275 Q CB -0.476 28.327 28.738 0.108 0.000 0.901 275 Q HN 0.671 nan 8.270 nan 0.000 0.429 276 W N -0.433 120.865 121.300 -0.003 0.000 2.378 276 W HA -0.193 4.467 4.660 0.000 0.000 0.313 276 W C 1.988 178.503 176.519 -0.006 0.000 1.197 276 W CA 1.579 58.905 57.345 -0.032 0.000 1.304 276 W CB -0.685 28.727 29.460 -0.080 0.000 1.148 276 W HN 0.046 nan 8.180 nan 0.000 0.494 277 V N 1.420 121.384 119.914 0.082 0.000 2.343 277 V HA -0.289 3.831 4.120 0.000 0.000 0.247 277 V C 2.436 178.486 176.094 -0.074 0.000 1.051 277 V CA 3.308 65.506 62.300 -0.169 0.000 1.036 277 V CB -1.165 30.721 31.823 0.104 0.000 0.654 277 V HN 0.476 nan 8.190 nan 0.000 0.451 278 T N -2.937 111.642 114.554 0.042 0.000 2.833 278 T HA -0.146 4.204 4.350 0.000 0.000 0.269 278 T C 1.881 176.558 174.700 -0.037 0.000 1.054 278 T CA 1.728 63.884 62.100 0.093 0.000 1.135 278 T CB -0.583 68.358 68.868 0.121 0.000 0.869 278 T HN 0.461 nan 8.240 nan 0.000 0.466 279 S N 0.997 116.621 115.700 -0.127 0.000 2.481 279 S HA 0.083 4.553 4.470 0.000 0.000 0.231 279 S C 1.945 176.378 174.600 -0.278 0.000 0.996 279 S CA 0.137 58.232 58.200 -0.176 0.000 0.942 279 S CB -0.190 62.912 63.200 -0.164 0.000 0.768 279 S HN 0.406 nan 8.310 nan 0.000 0.520 280 R N 1.277 121.559 120.500 -0.364 0.000 2.299 280 R HA 0.147 4.487 4.340 0.000 0.000 0.197 280 R C 0.851 176.937 176.300 -0.358 0.000 0.971 280 R CA 0.095 55.975 56.100 -0.367 0.000 1.030 280 R CB -0.360 29.656 30.300 -0.474 0.000 0.932 280 R HN 0.514 nan 8.270 nan 0.000 0.477 281 Q N 1.126 120.573 119.800 -0.589 0.000 2.288 281 Q HA 0.144 4.484 4.340 0.000 0.000 0.258 281 Q C -0.499 175.221 176.000 -0.466 0.000 0.957 281 Q CA -0.311 54.874 55.803 -1.030 0.000 0.919 281 Q CB 0.763 28.821 28.738 -1.133 0.000 1.185 281 Q HN -0.146 nan 8.270 nan 0.000 0.408 282 M N 4.536 123.910 119.600 -0.377 0.000 2.227 282 M HA 0.073 4.553 4.480 0.000 0.000 0.349 282 M C 1.144 177.391 176.300 -0.087 0.000 1.443 282 M CA 0.486 55.678 55.300 -0.180 0.000 1.110 282 M CB 0.348 32.862 32.600 -0.143 0.000 1.773 282 M HN 0.717 nan 8.290 nan 0.000 0.463 283 R N 1.611 122.094 120.500 -0.028 0.000 2.105 283 R HA -0.186 4.154 4.340 0.000 0.000 0.239 283 R C 1.477 177.833 176.300 0.093 0.000 1.135 283 R CA 1.667 57.786 56.100 0.032 0.000 0.967 283 R CB -0.507 29.804 30.300 0.017 0.000 0.861 283 R HN 0.538 nan 8.270 nan 0.000 0.442 284 F N 1.869 121.800 119.950 -0.032 0.000 2.164 284 F HA 0.122 4.649 4.527 0.000 0.000 0.287 284 F C 1.805 177.792 175.800 0.311 0.000 1.086 284 F CA 1.151 59.163 58.000 0.020 0.000 1.249 284 F CB 0.060 39.037 39.000 -0.037 0.000 1.059 284 F HN -0.107 nan 8.300 nan 0.000 0.490 285 E N 0.130 120.405 120.200 0.124 0.000 2.150 285 E HA 0.063 4.414 4.350 0.000 0.000 0.193 285 E C 1.878 178.533 176.600 0.092 0.000 0.985 285 E CA 1.277 57.706 56.400 0.047 0.000 0.814 285 E CB -0.614 29.016 29.700 -0.116 0.000 0.752 285 E HN 0.612 nan 8.360 nan 0.000 0.466 286 G N -0.284 108.513 108.800 -0.004 0.000 2.268 286 G HA2 -0.258 3.702 3.960 0.000 0.000 0.240 286 G HA3 -0.258 3.702 3.960 0.000 0.000 0.240 286 G C 0.669 175.508 174.900 -0.102 0.000 1.010 286 G CA 0.078 45.179 45.100 0.002 0.000 0.618 286 G HN 0.640 nan 8.290 nan 0.000 0.516 287 G N -0.684 107.912 108.800 -0.340 0.000 2.525 287 G HA2 0.614 4.574 3.960 0.000 0.000 0.287 287 G HA3 0.614 4.574 3.960 0.000 0.000 0.287 287 G C -0.534 174.192 174.900 -0.290 0.000 1.350 287 G CA -0.731 44.174 45.100 -0.324 0.000 1.039 287 G HN 0.298 nan 8.290 nan 0.000 0.513 288 F N -0.468 119.405 119.950 -0.128 0.000 2.492 288 F HA 0.406 4.934 4.527 0.000 0.000 0.327 288 F C 0.711 176.499 175.800 -0.019 0.000 1.079 288 F CA -0.681 57.263 58.000 -0.093 0.000 0.967 288 F CB 2.134 41.086 39.000 -0.081 0.000 1.169 288 F HN 0.525 nan 8.300 nan 0.000 0.472 289 Q N 0.650 120.469 119.800 0.033 0.000 2.193 289 Q HA 0.586 4.926 4.340 0.000 0.000 0.246 289 Q C 0.492 176.229 176.000 -0.438 0.000 0.959 289 Q CA -0.560 55.212 55.803 -0.053 0.000 0.904 289 Q CB 1.683 30.352 28.738 -0.114 0.000 1.238 289 Q HN 0.822 nan 8.270 nan 0.000 0.469 290 G N 0.958 109.285 108.800 -0.789 0.000 2.494 290 G HA2 0.031 3.992 3.960 0.000 0.000 0.216 290 G HA3 0.031 3.992 3.960 0.000 0.000 0.216 290 G C 0.147 174.498 174.900 -0.915 0.000 1.140 290 G CA 0.108 44.305 45.100 -1.506 0.000 0.801 290 G HN 0.688 nan 8.290 nan 0.000 0.536 291 R N -2.183 118.046 120.500 -0.452 0.000 2.692 291 R HA 0.436 4.776 4.340 0.000 0.000 0.269 291 R C -1.172 175.068 176.300 -0.100 0.000 1.030 291 R CA -0.946 55.053 56.100 -0.167 0.000 0.882 291 R CB 0.130 30.404 30.300 -0.043 0.000 1.250 291 R HN -0.039 nan 8.270 nan 0.000 0.465 292 C N 2.433 121.722 119.300 -0.019 0.000 2.538 292 C HA 0.037 4.497 4.460 0.000 0.000 0.408 292 C C 0.706 175.700 174.990 0.006 0.000 1.421 292 C CA 1.157 60.162 59.018 -0.021 0.000 1.642 292 C CB -1.338 26.429 27.740 0.044 0.000 2.553 292 C HN 0.986 nan 8.230 nan 0.000 0.604 293 N N 2.376 121.070 118.700 -0.011 0.000 2.782 293 N HA -0.135 4.605 4.740 0.000 0.000 0.251 293 N C -0.359 175.158 175.510 0.012 0.000 1.101 293 N CA 1.337 54.391 53.050 0.007 0.000 0.764 293 N CB -0.629 37.877 38.487 0.032 0.000 1.122 293 N HN 0.791 nan 8.380 nan 0.000 0.561 294 K N -0.179 120.221 120.400 -0.000 0.000 2.312 294 K HA 0.563 4.883 4.320 0.000 0.000 0.236 294 K C 0.571 177.183 176.600 0.019 0.000 1.079 294 K CA -0.789 55.511 56.287 0.023 0.000 0.900 294 K CB 1.087 33.610 32.500 0.039 0.000 1.297 294 K HN -0.066 nan 8.250 nan 0.000 0.498 295 L N 0.972 122.228 121.223 0.055 0.000 2.421 295 L HA 0.301 4.641 4.340 0.000 0.000 0.263 295 L C 0.575 177.499 176.870 0.090 0.000 1.122 295 L CA -0.886 53.990 54.840 0.059 0.000 0.804 295 L CB 1.071 43.171 42.059 0.068 0.000 1.150 295 L HN 0.252 nan 8.230 nan 0.000 0.457 296 V N 1.373 121.312 119.914 0.041 0.000 2.999 296 V HA 0.069 4.189 4.120 0.000 0.000 0.307 296 V C -0.462 175.709 176.094 0.129 0.000 1.084 296 V CA 0.609 62.915 62.300 0.010 0.000 1.155 296 V CB 1.228 32.929 31.823 -0.203 0.000 0.975 296 V HN 0.889 nan 8.190 nan 0.000 0.490 297 D N 3.108 123.634 120.400 0.211 0.000 2.931 297 D HA 0.334 4.974 4.640 0.000 0.000 0.215 297 D C 0.720 177.155 176.300 0.224 0.000 1.297 297 D CA 0.186 54.307 54.000 0.201 0.000 0.892 297 D CB 1.671 42.542 40.800 0.118 0.000 1.642 297 D HN 0.590 nan 8.370 nan 0.000 0.560 298 G N 1.829 110.803 108.800 0.289 0.000 2.475 298 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 298 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 298 G C 1.750 176.749 174.900 0.164 0.000 1.125 298 G CA 1.404 46.678 45.100 0.290 0.000 0.755 298 G HN 0.756 nan 8.290 nan 0.000 0.565 299 C N -1.428 117.939 119.300 0.112 0.000 2.432 299 C HA 0.138 4.598 4.460 0.000 0.000 0.280 299 C C 2.342 177.280 174.990 -0.087 0.000 1.353 299 C CA 0.213 59.184 59.018 -0.078 0.000 1.766 299 C CB -1.617 25.995 27.740 -0.213 0.000 1.924 299 C HN 0.476 nan 8.230 nan 0.000 0.509 300 Y N 1.984 122.406 120.300 0.205 0.000 2.616 300 Y HA -0.056 4.495 4.550 0.000 0.000 0.296 300 Y C 2.731 178.575 175.900 -0.093 0.000 1.154 300 Y CA 0.572 58.746 58.100 0.123 0.000 1.325 300 Y CB -0.315 38.229 38.460 0.141 0.000 1.007 300 Y HN 0.329 nan 8.280 nan 0.000 0.542 301 S N 0.016 115.767 115.700 0.085 0.000 2.419 301 S HA -0.191 4.279 4.470 0.000 0.000 0.235 301 S C 1.488 175.986 174.600 -0.169 0.000 1.019 301 S CA 1.368 59.568 58.200 -0.000 0.000 0.982 301 S CB -0.307 62.963 63.200 0.117 0.000 0.789 301 S HN 0.566 nan 8.310 nan 0.000 0.490 302 F N -0.013 119.755 119.950 -0.304 0.000 2.399 302 F HA 0.229 4.756 4.527 0.000 0.000 0.282 302 F C 1.551 177.073 175.800 -0.463 0.000 1.027 302 F CA -0.100 57.643 58.000 -0.428 0.000 1.333 302 F CB -0.638 38.053 39.000 -0.514 0.000 1.132 302 F HN 0.137 nan 8.300 nan 0.000 0.590 303 W N 1.161 122.266 121.300 -0.326 0.000 2.321 303 W HA -0.225 4.435 4.660 0.000 0.000 0.306 303 W C 2.374 178.699 176.519 -0.322 0.000 1.217 303 W CA 1.135 58.261 57.345 -0.366 0.000 1.257 303 W CB -0.401 29.069 29.460 0.017 0.000 1.145 303 W HN 0.098 nan 8.180 nan 0.000 0.509 304 Q N -0.305 119.383 119.800 -0.186 0.000 2.084 304 Q HA 0.039 4.380 4.340 0.000 0.000 0.194 304 Q C 2.478 177.995 176.000 -0.806 0.000 0.969 304 Q CA 1.379 56.910 55.803 -0.453 0.000 0.829 304 Q CB -1.306 27.062 28.738 -0.617 0.000 0.904 304 Q HN 0.265 nan 8.270 nan 0.000 0.464 305 A N 1.191 123.241 122.820 -1.282 0.000 1.978 305 A HA -0.099 4.221 4.320 0.000 0.000 0.220 305 A C 2.215 179.335 177.584 -0.773 0.000 1.170 305 A CA 1.754 52.989 52.037 -1.338 0.000 0.636 305 A CB -1.047 17.092 19.000 -1.435 0.000 0.810 305 A HN 0.456 nan 8.150 nan 0.000 0.448 306 G N -0.500 107.881 108.800 -0.697 0.000 2.498 306 G HA2 -0.073 3.887 3.960 0.000 0.000 0.219 306 G HA3 -0.073 3.887 3.960 0.000 0.000 0.219 306 G C 1.383 176.102 174.900 -0.302 0.000 1.119 306 G CA 0.830 45.573 45.100 -0.595 0.000 0.766 306 G HN 0.473 nan 8.290 nan 0.000 0.552 307 L N 0.024 121.106 121.223 -0.235 0.000 2.217 307 L HA 0.033 4.373 4.340 0.000 0.000 0.211 307 L C 2.550 179.367 176.870 -0.088 0.000 1.107 307 L CA -0.025 54.755 54.840 -0.098 0.000 0.783 307 L CB -0.206 41.837 42.059 -0.026 0.000 0.919 307 L HN 0.112 nan 8.230 nan 0.000 0.442 308 L N 0.070 121.220 121.223 -0.122 0.000 2.056 308 L HA -0.098 4.242 4.340 0.000 0.000 0.207 308 L C 0.047 176.863 176.870 -0.091 0.000 1.078 308 L CA 2.091 56.948 54.840 0.027 0.000 0.749 308 L CB -2.484 39.742 42.059 0.278 0.000 0.901 308 L HN 0.166 nan 8.230 nan 0.000 0.433 309 P HA -0.100 nan 4.420 nan 0.000 0.219 309 P C 2.212 179.419 177.300 -0.155 0.000 1.150 309 P CA 0.992 63.640 63.100 -0.753 0.000 0.814 309 P CB 0.135 31.197 31.700 -1.063 0.000 0.787 310 L N -1.602 119.554 121.223 -0.113 0.000 2.056 310 L HA -0.136 4.204 4.340 0.000 0.000 0.207 310 L C 2.395 179.291 176.870 0.044 0.000 1.078 310 L CA 1.291 56.114 54.840 -0.028 0.000 0.749 310 L CB -0.970 41.045 42.059 -0.073 0.000 0.901 310 L HN -0.029 nan 8.230 nan 0.000 0.433 311 L N -1.021 120.242 121.223 0.067 0.000 2.093 311 L HA -0.241 4.099 4.340 0.000 0.000 0.208 311 L C 2.643 179.618 176.870 0.175 0.000 1.085 311 L CA 1.142 56.048 54.840 0.110 0.000 0.755 311 L CB -0.619 41.514 42.059 0.124 0.000 0.904 311 L HN 0.300 nan 8.230 nan 0.000 0.435 312 H N 0.223 119.396 119.070 0.172 0.000 2.319 312 H HA -0.226 4.330 4.556 0.000 0.000 0.299 312 H C 2.473 177.935 175.328 0.223 0.000 1.092 312 H CA 2.110 58.316 56.048 0.264 0.000 1.302 312 H CB 0.103 30.141 29.762 0.461 0.000 1.373 312 H HN 0.076 nan 8.280 nan 0.000 0.497 313 R N -0.058 120.611 120.500 0.283 0.000 2.081 313 R HA -0.092 4.248 4.340 0.000 0.000 0.235 313 R C 2.367 178.759 176.300 0.154 0.000 1.131 313 R CA 1.192 57.420 56.100 0.214 0.000 0.960 313 R CB -0.372 30.025 30.300 0.162 0.000 0.856 313 R HN 0.397 nan 8.270 nan 0.000 0.436 314 A N 1.144 124.029 122.820 0.108 0.000 1.858 314 A HA -0.124 4.196 4.320 0.000 0.000 0.216 314 A C 2.201 179.821 177.584 0.061 0.000 1.190 314 A CA 1.309 53.389 52.037 0.070 0.000 0.617 314 A CB -0.601 18.428 19.000 0.049 0.000 0.827 314 A HN 0.352 nan 8.150 nan 0.000 0.443 315 L N -1.641 119.618 121.223 0.060 0.000 2.093 315 L HA -0.184 4.156 4.340 0.000 0.000 0.208 315 L C 2.640 179.529 176.870 0.031 0.000 1.085 315 L CA 1.698 56.560 54.840 0.036 0.000 0.755 315 L CB -0.676 41.401 42.059 0.030 0.000 0.904 315 L HN 0.631 nan 8.230 nan 0.000 0.435 316 H N 0.291 119.320 119.070 -0.069 0.000 2.387 316 H HA -0.113 4.443 4.556 0.000 0.000 0.299 316 H C 2.102 177.427 175.328 -0.004 0.000 1.090 316 H CA 1.344 57.357 56.048 -0.058 0.000 1.332 316 H CB 0.152 29.878 29.762 -0.060 0.000 1.386 316 H HN 0.276 nan 8.280 nan 0.000 0.516 317 A N 0.015 122.832 122.820 -0.005 0.000 2.015 317 A HA -0.134 4.187 4.320 0.000 0.000 0.219 317 A C 2.079 179.622 177.584 -0.068 0.000 1.163 317 A CA 1.449 53.459 52.037 -0.045 0.000 0.646 317 A CB -0.255 18.762 19.000 0.028 0.000 0.806 317 A HN 0.631 nan 8.150 nan 0.000 0.448 318 Q N -1.569 118.202 119.800 -0.048 0.000 2.403 318 Q HA 0.262 4.602 4.340 0.000 0.000 0.203 318 Q C 0.949 176.915 176.000 -0.056 0.000 0.932 318 Q CA 0.327 56.108 55.803 -0.036 0.000 0.945 318 Q CB 0.169 28.900 28.738 -0.011 0.000 1.045 318 Q HN 0.834 nan 8.270 nan 0.000 0.511 319 G N 1.934 110.669 108.800 -0.108 0.000 2.160 319 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 319 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 319 G C -0.385 174.486 174.900 -0.047 0.000 1.022 319 G CA 0.135 45.172 45.100 -0.105 0.000 0.741 319 G HN 0.374 nan 8.290 nan 0.000 0.508 320 D N 0.883 121.267 120.400 -0.026 0.000 2.389 320 D HA 0.179 4.819 4.640 0.000 0.000 0.263 320 D C 0.111 176.426 176.300 0.024 0.000 1.255 320 D CA -0.740 53.264 54.000 0.006 0.000 0.914 320 D CB 1.065 41.874 40.800 0.016 0.000 1.116 320 D HN 0.282 nan 8.370 nan 0.000 0.502 321 P HA 0.024 nan 4.420 nan 0.000 0.241 321 P C 0.540 177.863 177.300 0.037 0.000 1.191 321 P CA 0.189 63.307 63.100 0.031 0.000 0.771 321 P CB 0.416 32.128 31.700 0.019 0.000 0.929 322 A N -0.373 122.470 122.820 0.038 0.000 2.267 322 A HA 0.200 4.520 4.320 0.000 0.000 0.213 322 A C 1.169 178.785 177.584 0.054 0.000 1.192 322 A CA -0.218 51.842 52.037 0.039 0.000 0.851 322 A CB -0.593 18.428 19.000 0.035 0.000 0.881 322 A HN 0.122 nan 8.150 nan 0.000 0.494 323 L N 1.084 122.347 121.223 0.067 0.000 2.514 323 L HA 0.053 4.393 4.340 0.000 0.000 0.280 323 L C 1.122 178.074 176.870 0.137 0.000 1.223 323 L CA -0.172 54.727 54.840 0.099 0.000 0.864 323 L CB 0.762 42.830 42.059 0.016 0.000 1.118 323 L HN 0.327 nan 8.230 nan 0.000 0.494 324 S N 2.828 118.635 115.700 0.178 0.000 2.585 324 S HA 0.202 4.672 4.470 0.000 0.000 0.273 324 S C 0.687 175.317 174.600 0.051 0.000 1.339 324 S CA -0.331 57.896 58.200 0.046 0.000 1.028 324 S CB 0.634 63.796 63.200 -0.063 0.000 0.906 324 S HN 0.623 nan 8.310 nan 0.000 0.528 325 M N 2.982 122.503 119.600 -0.132 0.000 2.356 325 M HA 0.133 4.614 4.480 0.000 0.000 0.262 325 M C 0.877 176.872 176.300 -0.508 0.000 1.097 325 M CA -0.104 55.134 55.300 -0.103 0.000 0.991 325 M CB 0.389 32.973 32.600 -0.027 0.000 1.450 325 M HN 0.814 nan 8.290 nan 0.000 0.495 326 S N -2.451 112.599 115.700 -1.083 0.000 2.617 326 S HA 0.223 4.693 4.470 0.000 0.000 0.278 326 S C 0.108 173.550 174.600 -1.931 0.000 1.082 326 S CA -0.435 56.921 58.200 -1.407 0.000 1.228 326 S CB 0.407 63.010 63.200 -0.995 0.000 1.130 326 S HN 0.418 nan 8.310 nan 0.000 0.621 327 H N -0.932 117.244 119.070 -1.491 0.000 2.928 327 H HA 0.607 5.164 4.556 0.000 0.000 0.371 327 H C -1.353 173.629 175.328 -0.576 0.000 1.186 327 H CA -0.792 54.700 56.048 -0.927 0.000 1.134 327 H CB 0.737 30.201 29.762 -0.498 0.000 1.824 327 H HN 0.302 nan 8.280 nan 0.000 0.554 328 W N 1.553 122.853 121.300 -0.000 0.000 2.183 328 W HA 0.269 4.929 4.660 0.000 0.000 0.348 328 W C 0.480 177.013 176.519 0.023 0.000 1.257 328 W CA -0.718 56.686 57.345 0.099 0.000 1.324 328 W CB 0.619 30.137 29.460 0.095 0.000 1.144 328 W HN 0.339 nan 8.180 nan 0.000 0.622 329 M N 3.568 123.449 119.600 0.468 0.000 3.607 329 M HA 0.174 4.654 4.480 0.000 0.000 0.206 329 M C -1.139 175.393 176.300 0.387 0.000 1.314 329 M CA 0.211 55.700 55.300 0.315 0.000 1.526 329 M CB -1.028 31.750 32.600 0.296 0.000 1.101 329 M HN 0.310 nan 8.290 nan 0.000 0.539 330 F N -3.628 116.463 119.950 0.235 0.000 2.711 330 F HA 0.432 4.959 4.527 0.000 0.000 0.313 330 F C -0.598 175.301 175.800 0.165 0.000 1.141 330 F CA -1.346 56.793 58.000 0.232 0.000 0.941 330 F CB 0.854 40.093 39.000 0.398 0.000 1.349 330 F HN -0.054 nan 8.300 nan 0.000 0.464 331 H N 2.734 121.922 119.070 0.197 0.000 3.205 331 H HA 0.190 4.746 4.556 0.000 0.000 0.262 331 H C 0.619 175.942 175.328 -0.008 0.000 1.333 331 H CA 0.778 56.793 56.048 -0.055 0.000 1.499 331 H CB 0.987 30.661 29.762 -0.146 0.000 1.609 331 H HN 0.856 nan 8.280 nan 0.000 0.498 332 Q N 2.461 122.113 119.800 -0.246 0.000 2.096 332 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 332 Q C 2.091 178.166 176.000 0.125 0.000 0.982 332 Q CA 1.472 57.214 55.803 -0.103 0.000 0.850 332 Q CB 0.209 28.823 28.738 -0.205 0.000 0.901 332 Q HN 0.699 nan 8.270 nan 0.000 0.422 333 Q N -0.114 119.741 119.800 0.092 0.000 2.046 333 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 333 Q C 2.073 178.154 176.000 0.135 0.000 0.975 333 Q CA 1.239 57.106 55.803 0.108 0.000 0.836 333 Q CB -0.125 28.654 28.738 0.070 0.000 0.896 333 Q HN 0.398 nan 8.270 nan 0.000 0.428 334 A N 0.811 123.731 122.820 0.167 0.000 1.908 334 A HA -0.203 4.117 4.320 0.000 0.000 0.218 334 A C 1.968 179.637 177.584 0.141 0.000 1.181 334 A CA 1.385 53.404 52.037 -0.030 0.000 0.627 334 A CB -0.730 18.045 19.000 -0.375 0.000 0.818 334 A HN 0.470 nan 8.150 nan 0.000 0.445 335 L N -0.157 121.228 121.223 0.270 0.000 2.056 335 L HA -0.178 4.162 4.340 0.000 0.000 0.207 335 L C 2.448 179.487 176.870 0.281 0.000 1.078 335 L CA 2.249 57.299 54.840 0.350 0.000 0.749 335 L CB -0.744 41.639 42.059 0.541 0.000 0.901 335 L HN 0.509 nan 8.230 nan 0.000 0.433 336 Q N -0.645 119.281 119.800 0.210 0.000 2.124 336 Q HA -0.227 4.114 4.340 0.000 0.000 0.202 336 Q C 2.070 178.111 176.000 0.068 0.000 0.977 336 Q CA 1.869 57.745 55.803 0.123 0.000 0.850 336 Q CB -0.155 28.631 28.738 0.080 0.000 0.901 336 Q HN 0.647 nan 8.270 nan 0.000 0.429 337 E N -0.106 120.128 120.200 0.056 0.000 2.077 337 E HA -0.213 4.137 4.350 0.000 0.000 0.193 337 E C 1.717 178.352 176.600 0.059 0.000 0.989 337 E CA 1.034 57.424 56.400 -0.018 0.000 0.800 337 E CB -0.151 29.487 29.700 -0.103 0.000 0.746 337 E HN 0.331 nan 8.360 nan 0.000 0.452 338 Y N 1.427 121.771 120.300 0.072 0.000 2.145 338 Y HA -0.208 4.342 4.550 0.000 0.000 0.286 338 Y C 1.916 177.855 175.900 0.066 0.000 1.145 338 Y CA 1.411 59.585 58.100 0.123 0.000 1.148 338 Y CB -0.213 38.323 38.460 0.127 0.000 0.981 338 Y HN -0.056 nan 8.280 nan 0.000 0.507 339 I N -0.382 120.157 120.570 -0.050 0.000 2.142 339 I HA -0.346 3.824 4.170 0.000 0.000 0.240 339 I C 2.370 178.395 176.117 -0.154 0.000 1.078 339 I CA 1.559 62.778 61.300 -0.135 0.000 1.343 339 I CB -0.555 37.458 38.000 0.021 0.000 1.046 339 I HN 0.229 nan 8.210 nan 0.000 0.405 340 L N -0.373 120.794 121.223 -0.094 0.000 2.046 340 L HA -0.206 4.134 4.340 0.000 0.000 0.208 340 L C 2.556 179.325 176.870 -0.168 0.000 1.077 340 L CA 1.471 56.255 54.840 -0.093 0.000 0.747 340 L CB -0.361 41.654 42.059 -0.075 0.000 0.896 340 L HN 0.297 nan 8.230 nan 0.000 0.432 341 M N -1.962 117.476 119.600 -0.271 0.000 2.394 341 M HA -0.075 4.406 4.480 0.000 0.000 0.266 341 M C 1.863 178.064 176.300 -0.165 0.000 1.098 341 M CA 0.879 55.930 55.300 -0.415 0.000 1.149 341 M CB 0.079 32.350 32.600 -0.547 0.000 1.369 341 M HN 0.354 nan 8.290 nan 0.000 0.450 342 C N -1.720 117.423 119.300 -0.260 0.000 3.188 342 C HA 0.158 4.618 4.460 0.000 0.000 0.315 342 C C 1.902 176.694 174.990 -0.331 0.000 1.285 342 C CA -0.491 58.341 59.018 -0.309 0.000 1.729 342 C CB -0.384 27.059 27.740 -0.495 0.000 2.257 342 C HN 0.561 nan 8.230 nan 0.000 0.645 343 C N 1.033 120.122 119.300 -0.350 0.000 2.884 343 C HA 0.206 4.666 4.460 0.000 0.000 0.287 343 C C 0.621 175.533 174.990 -0.130 0.000 1.310 343 C CA -0.153 58.716 59.018 -0.249 0.000 1.725 343 C CB -1.773 25.807 27.740 -0.268 0.000 2.060 343 C HN 0.604 nan 8.230 nan 0.000 0.618 344 Q N 0.346 120.106 119.800 -0.066 0.000 2.271 344 Q HA 0.323 4.663 4.340 0.000 0.000 0.258 344 Q C -0.461 175.551 176.000 0.021 0.000 0.936 344 Q CA -0.092 55.730 55.803 0.032 0.000 0.909 344 Q CB 1.754 30.561 28.738 0.116 0.000 1.253 344 Q HN 0.458 nan 8.270 nan 0.000 0.440 345 C N 5.372 124.682 119.300 0.017 0.000 2.415 345 C HA 0.298 4.758 4.460 0.000 0.000 0.369 345 C C -0.854 174.122 174.990 -0.024 0.000 1.279 345 C CA -1.906 57.086 59.018 -0.043 0.000 1.886 345 C CB 0.088 27.750 27.740 -0.130 0.000 2.468 345 C HN 0.751 nan 8.230 nan 0.000 0.553 346 P HA -0.096 nan 4.420 nan 0.000 0.221 346 P C 0.933 178.201 177.300 -0.052 0.000 1.145 346 P CA 1.878 64.960 63.100 -0.030 0.000 0.795 346 P CB 0.041 31.729 31.700 -0.020 0.000 0.775 347 A N -0.658 122.121 122.820 -0.068 0.000 2.251 347 A HA 0.491 4.811 4.320 0.000 0.000 0.209 347 A C 1.012 178.542 177.584 -0.089 0.000 1.187 347 A CA 0.595 52.589 52.037 -0.071 0.000 0.823 347 A CB -0.772 18.182 19.000 -0.077 0.000 0.846 347 A HN 0.385 nan 8.150 nan 0.000 0.486 348 G N -2.437 106.300 108.800 -0.104 0.000 2.742 348 G HA2 0.545 4.505 3.960 0.000 0.000 0.686 348 G HA3 0.545 4.505 3.960 0.000 0.000 0.686 348 G C 0.357 175.143 174.900 -0.190 0.000 1.220 348 G CA -0.236 44.838 45.100 -0.044 0.000 0.783 348 G HN 2.403 nan 8.290 nan 0.000 0.646 349 G N -0.924 108.021 108.800 0.242 0.000 2.662 349 G HA2 0.383 4.343 3.960 0.000 0.000 0.686 349 G HA3 0.383 4.343 3.960 0.000 0.000 0.686 349 G C -0.657 174.164 174.900 -0.133 0.000 1.271 349 G CA 0.087 45.102 45.100 -0.142 0.000 0.816 349 G HN 1.681 nan 8.290 nan 0.000 0.608 350 L N -0.209 120.916 121.223 -0.163 0.000 2.256 350 L HA 0.991 5.331 4.340 0.000 0.000 0.261 350 L C 0.338 177.151 176.870 -0.095 0.000 1.022 350 L CA -0.909 53.844 54.840 -0.145 0.000 0.828 350 L CB 1.814 43.757 42.059 -0.193 0.000 1.374 350 L HN 1.079 nan 8.230 nan 0.000 0.436 351 L N -3.320 117.837 121.223 -0.110 0.000 2.669 351 L HA 0.652 4.992 4.340 0.000 0.000 0.255 351 L C 0.381 177.082 176.870 -0.281 0.000 1.123 351 L CA -0.658 54.072 54.840 -0.183 0.000 0.941 351 L CB 0.168 42.110 42.059 -0.194 0.000 1.552 351 L HN 0.428 nan 8.230 nan 0.000 0.394 352 D N 0.182 120.216 120.400 -0.610 0.000 2.088 352 D HA -0.103 4.537 4.640 0.000 0.000 0.191 352 D C 0.021 176.273 176.300 -0.080 0.000 0.992 352 D CA 2.421 56.142 54.000 -0.465 0.000 0.831 352 D CB 0.364 40.852 40.800 -0.519 0.000 0.973 352 D HN 0.712 nan 8.370 nan 0.000 0.447 353 K N -1.879 118.474 120.400 -0.079 0.000 2.578 353 K HA 0.527 4.847 4.320 0.000 0.000 0.287 353 K C -3.014 173.561 176.600 -0.042 0.000 1.010 353 K CA -1.646 54.654 56.287 0.022 0.000 0.889 353 K CB 1.280 33.845 32.500 0.109 0.000 1.514 353 K HN -0.292 nan 8.250 nan 0.000 0.424 354 P HA 0.030 nan 4.420 nan 0.000 0.262 354 P C 0.480 177.762 177.300 -0.031 0.000 1.182 354 P CA 1.692 64.767 63.100 -0.040 0.000 0.761 354 P CB 0.571 32.253 31.700 -0.030 0.000 0.795 355 G N 1.455 110.232 108.800 -0.038 0.000 2.232 355 G HA2 -0.179 3.781 3.960 0.000 0.000 0.226 355 G HA3 -0.179 3.781 3.960 0.000 0.000 0.226 355 G C 0.190 175.064 174.900 -0.042 0.000 0.996 355 G CA -0.282 44.799 45.100 -0.032 0.000 0.626 355 G HN 0.469 nan 8.290 nan 0.000 0.509 356 K N 1.350 121.714 120.400 -0.060 0.000 2.090 356 K HA 0.642 4.963 4.320 0.000 0.000 0.249 356 K C 0.769 177.319 176.600 -0.084 0.000 0.995 356 K CA 0.252 56.493 56.287 -0.076 0.000 0.914 356 K CB 1.374 33.805 32.500 -0.116 0.000 1.057 356 K HN 0.602 nan 8.250 nan 0.000 0.462 357 S N 0.467 116.120 115.700 -0.077 0.000 2.616 357 S HA 0.384 4.854 4.470 0.000 0.000 0.277 357 S C 0.240 174.785 174.600 -0.093 0.000 1.234 357 S CA -0.968 57.185 58.200 -0.078 0.000 1.028 357 S CB 1.140 64.307 63.200 -0.056 0.000 0.988 357 S HN 0.568 nan 8.310 nan 0.000 0.522 358 R N 0.449 120.875 120.500 -0.124 0.000 2.738 358 R HA 0.502 4.842 4.340 0.000 0.000 0.268 358 R C -1.007 175.254 176.300 -0.066 0.000 1.062 358 R CA -0.304 55.705 56.100 -0.152 0.000 1.158 358 R CB -0.332 29.762 30.300 -0.343 0.000 1.046 358 R HN 0.865 nan 8.270 nan 0.000 0.493 359 D N -0.414 119.982 120.400 -0.006 0.000 2.648 359 D HA 0.115 4.755 4.640 0.000 0.000 0.244 359 D C -0.423 175.897 176.300 0.033 0.000 1.244 359 D CA -0.824 53.208 54.000 0.052 0.000 0.772 359 D CB 0.175 41.058 40.800 0.137 0.000 1.379 359 D HN 0.389 nan 8.370 nan 0.000 0.428 360 F N -0.475 119.653 119.950 0.298 0.000 2.293 360 F HA -0.041 4.486 4.527 0.000 0.000 0.300 360 F C 1.895 177.598 175.800 -0.162 0.000 1.086 360 F CA 0.605 58.700 58.000 0.157 0.000 1.375 360 F CB -0.345 38.805 39.000 0.251 0.000 1.045 360 F HN 0.494 nan 8.300 nan 0.000 0.516 361 Y N 0.455 120.449 120.300 -0.511 0.000 2.133 361 Y HA -0.257 4.293 4.550 0.000 0.000 0.287 361 Y C 2.428 177.995 175.900 -0.555 0.000 1.134 361 Y CA 1.991 59.357 58.100 -1.223 0.000 1.133 361 Y CB -0.916 36.768 38.460 -1.294 0.000 0.987 361 Y HN 0.036 nan 8.280 nan 0.000 0.502 362 H N -1.002 117.938 119.070 -0.216 0.000 2.457 362 H HA -0.086 4.470 4.556 0.000 0.000 0.294 362 H C 2.118 177.309 175.328 -0.230 0.000 1.064 362 H CA 1.792 57.708 56.048 -0.220 0.000 1.330 362 H CB -0.135 29.598 29.762 -0.048 0.000 1.395 362 H HN 0.329 nan 8.280 nan 0.000 0.541 363 T N -0.598 113.910 114.554 -0.076 0.000 2.777 363 T HA -0.227 4.123 4.350 0.000 0.000 0.266 363 T C 2.346 176.919 174.700 -0.212 0.000 1.040 363 T CA 1.265 63.310 62.100 -0.091 0.000 1.141 363 T CB -0.635 68.283 68.868 0.084 0.000 0.868 363 T HN 0.566 nan 8.240 nan 0.000 0.444 364 C N 0.720 119.825 119.300 -0.326 0.000 2.436 364 C HA -0.103 4.357 4.460 0.000 0.000 0.277 364 C C 2.350 176.923 174.990 -0.694 0.000 1.241 364 C CA 0.558 59.264 59.018 -0.521 0.000 1.721 364 C CB -1.457 25.887 27.740 -0.661 0.000 2.043 364 C HN 0.653 nan 8.230 nan 0.000 0.472 365 Y N -0.112 119.883 120.300 -0.508 0.000 2.373 365 Y HA -0.031 4.519 4.550 0.000 0.000 0.293 365 Y C 2.855 178.577 175.900 -0.297 0.000 1.129 365 Y CA 1.324 59.110 58.100 -0.523 0.000 1.226 365 Y CB -0.637 37.347 38.460 -0.793 0.000 1.000 365 Y HN 0.407 nan 8.280 nan 0.000 0.549 366 C N -0.195 119.025 119.300 -0.133 0.000 2.446 366 C HA -0.124 4.337 4.460 0.000 0.000 0.277 366 C C 2.662 177.603 174.990 -0.082 0.000 1.275 366 C CA 0.867 59.847 59.018 -0.063 0.000 1.727 366 C CB -1.163 26.535 27.740 -0.071 0.000 2.010 366 C HN 0.528 nan 8.230 nan 0.000 0.486 367 L N 0.274 121.403 121.223 -0.157 0.000 2.109 367 L HA -0.103 4.237 4.340 0.000 0.000 0.207 367 L C 2.634 179.435 176.870 -0.115 0.000 1.086 367 L CA 1.266 56.018 54.840 -0.147 0.000 0.760 367 L CB -0.653 41.281 42.059 -0.209 0.000 0.910 367 L HN 0.278 nan 8.230 nan 0.000 0.437 368 S N 0.151 115.750 115.700 -0.168 0.000 2.368 368 S HA -0.127 4.343 4.470 0.000 0.000 0.225 368 S C 2.019 176.688 174.600 0.116 0.000 1.030 368 S CA 1.299 59.453 58.200 -0.077 0.000 0.999 368 S CB -0.556 62.464 63.200 -0.301 0.000 0.844 368 S HN 0.606 nan 8.310 nan 0.000 0.459 369 G N 1.442 110.305 108.800 0.105 0.000 2.408 369 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 369 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 369 G C 1.372 176.354 174.900 0.136 0.000 1.150 369 G CA 0.632 45.807 45.100 0.125 0.000 0.776 369 G HN 0.408 nan 8.290 nan 0.000 0.542 370 L N 1.117 122.398 121.223 0.096 0.000 2.046 370 L HA 0.007 4.347 4.340 0.000 0.000 0.208 370 L C 2.872 179.805 176.870 0.105 0.000 1.077 370 L CA 2.406 57.303 54.840 0.095 0.000 0.747 370 L CB -0.731 41.351 42.059 0.039 0.000 0.896 370 L HN 0.230 nan 8.230 nan 0.000 0.432 371 S N -0.783 114.987 115.700 0.116 0.000 2.368 371 S HA -0.143 4.327 4.470 0.000 0.000 0.225 371 S C 2.063 176.829 174.600 0.277 0.000 1.030 371 S CA 1.512 59.824 58.200 0.186 0.000 0.999 371 S CB -0.405 62.916 63.200 0.201 0.000 0.844 371 S HN 0.496 nan 8.310 nan 0.000 0.459 372 I N 1.491 122.226 120.570 0.276 0.000 2.286 372 I HA -0.150 4.020 4.170 0.000 0.000 0.248 372 I C 2.728 179.132 176.117 0.478 0.000 1.115 372 I CA 1.116 62.613 61.300 0.329 0.000 1.392 372 I CB -0.492 37.609 38.000 0.169 0.000 1.065 372 I HN 0.390 nan 8.210 nan 0.000 0.418 373 A N 0.071 123.141 122.820 0.418 0.000 2.015 373 A HA -0.206 4.114 4.320 0.000 0.000 0.219 373 A C 2.183 179.890 177.584 0.205 0.000 1.163 373 A CA 1.293 53.604 52.037 0.456 0.000 0.646 373 A CB -0.380 18.867 19.000 0.411 0.000 0.806 373 A HN 0.499 nan 8.150 nan 0.000 0.448 374 Q N -1.145 118.676 119.800 0.036 0.000 2.269 374 Q HA 0.016 4.356 4.340 0.000 0.000 0.201 374 Q C -0.351 175.436 176.000 -0.354 0.000 0.946 374 Q CA 0.623 56.271 55.803 -0.258 0.000 0.877 374 Q CB 0.110 28.527 28.738 -0.535 0.000 0.963 374 Q HN 0.870 nan 8.270 nan 0.000 0.472 375 H N -0.791 118.396 119.070 0.194 0.000 2.589 375 H HA 0.319 4.875 4.556 0.000 0.000 0.335 375 H C -1.594 173.869 175.328 0.226 0.000 1.019 375 H CA -0.758 55.382 56.048 0.154 0.000 1.213 375 H CB 1.046 30.892 29.762 0.141 0.000 1.472 375 H HN 0.018 nan 8.280 nan 0.000 0.508 376 F N 2.520 122.385 119.950 -0.142 0.000 2.443 376 F HA 0.700 5.227 4.527 0.000 0.000 0.335 376 F C -0.065 175.523 175.800 -0.353 0.000 1.104 376 F CA -0.386 57.192 58.000 -0.704 0.000 1.013 376 F CB 1.495 39.882 39.000 -1.022 0.000 1.136 376 F HN 0.607 nan 8.300 nan 0.000 0.470 377 G N 2.642 110.676 108.800 -1.277 0.000 2.739 377 G HA2 0.480 4.440 3.960 0.000 0.000 0.292 377 G HA3 0.480 4.440 3.960 0.000 0.000 0.292 377 G C -1.979 172.423 174.900 -0.831 0.000 1.444 377 G CA -0.731 43.937 45.100 -0.719 0.000 1.144 377 G HN 0.767 nan 8.290 nan 0.000 0.550 378 S N 1.355 116.718 115.700 -0.562 0.000 2.706 378 S HA 0.648 5.119 4.470 0.000 0.000 0.270 378 S C 0.835 175.359 174.600 -0.127 0.000 1.163 378 S CA 1.013 59.028 58.200 -0.308 0.000 1.042 378 S CB 0.303 63.373 63.200 -0.217 0.000 1.079 378 S HN 2.601 nan 8.310 nan 0.000 0.474 379 G N 4.183 112.939 108.800 -0.074 0.000 2.565 379 G HA2 -0.212 3.748 3.960 0.000 0.000 0.295 379 G HA3 -0.212 3.748 3.960 0.000 0.000 0.295 379 G C 1.000 175.904 174.900 0.007 0.000 1.165 379 G CA 0.328 45.430 45.100 0.004 0.000 0.977 379 G HN 1.817 nan 8.290 nan 0.000 0.546 380 A N -0.941 121.894 122.820 0.025 0.000 2.195 380 A HA 0.650 4.970 4.320 0.000 0.000 0.210 380 A C 1.228 178.825 177.584 0.023 0.000 1.165 380 A CA 1.506 53.558 52.037 0.024 0.000 0.806 380 A CB -0.009 19.011 19.000 0.033 0.000 0.847 380 A HN 0.661 nan 8.150 nan 0.000 0.482 381 M N 0.654 120.273 119.600 0.032 0.000 2.188 381 M HA 0.441 4.922 4.480 0.000 0.000 0.354 381 M C -0.816 175.521 176.300 0.062 0.000 1.342 381 M CA 0.388 55.729 55.300 0.068 0.000 1.117 381 M CB 0.366 33.048 32.600 0.137 0.000 1.670 381 M HN 0.191 nan 8.290 nan 0.000 0.466 382 L N 3.513 124.786 121.223 0.083 0.000 2.438 382 L HA 0.443 4.783 4.340 0.000 0.000 0.270 382 L C -1.277 175.679 176.870 0.143 0.000 0.972 382 L CA -0.728 54.160 54.840 0.079 0.000 0.831 382 L CB 1.891 43.966 42.059 0.026 0.000 1.273 382 L HN 0.626 nan 8.230 nan 0.000 0.405 383 H N 1.803 120.895 119.070 0.037 0.000 3.013 383 H HA 0.419 4.976 4.556 0.000 0.000 0.326 383 H C -1.517 173.757 175.328 -0.091 0.000 0.973 383 H CA -0.484 55.511 56.048 -0.089 0.000 1.369 383 H CB 1.301 30.892 29.762 -0.285 0.000 1.598 383 H HN 0.418 nan 8.280 nan 0.000 0.518 384 D N 3.467 123.600 120.400 -0.445 0.000 2.175 384 D HA 0.362 5.002 4.640 0.000 0.000 0.248 384 D C -0.476 175.539 176.300 -0.475 0.000 1.047 384 D CA -0.376 53.433 54.000 -0.318 0.000 0.883 384 D CB 2.251 42.994 40.800 -0.094 0.000 1.180 384 D HN 0.252 nan 8.370 nan 0.000 0.438 385 V N 2.451 122.178 119.914 -0.312 0.000 2.380 385 V HA 0.151 4.271 4.120 0.000 0.000 0.268 385 V C -0.371 175.631 176.094 -0.153 0.000 1.008 385 V CA -0.692 61.477 62.300 -0.219 0.000 0.823 385 V CB 1.484 33.220 31.823 -0.145 0.000 1.053 385 V HN 0.273 nan 8.190 nan 0.000 0.446 386 V N 5.631 125.466 119.914 -0.132 0.000 2.304 386 V HA 0.351 4.471 4.120 0.000 0.000 0.269 386 V C 0.106 176.165 176.094 -0.058 0.000 1.036 386 V CA -0.452 61.790 62.300 -0.097 0.000 0.840 386 V CB 1.389 33.164 31.823 -0.080 0.000 1.036 386 V HN 0.614 nan 8.190 nan 0.000 0.466 387 L N 5.772 126.970 121.223 -0.042 0.000 2.426 387 L HA 0.768 5.109 4.340 0.000 0.000 0.271 387 L C 0.839 177.699 176.870 -0.017 0.000 1.169 387 L CA 1.936 56.760 54.840 -0.026 0.000 0.836 387 L CB 0.451 42.499 42.059 -0.018 0.000 1.112 387 L HN 0.953 nan 8.230 nan 0.000 0.465 388 G N 2.751 111.546 108.800 -0.010 0.000 2.568 388 G HA2 -0.099 3.861 3.960 0.000 0.000 0.222 388 G HA3 -0.099 3.861 3.960 0.000 0.000 0.222 388 G C -0.333 174.573 174.900 0.010 0.000 1.321 388 G CA -0.347 44.757 45.100 0.007 0.000 0.893 388 G HN 1.610 nan 8.290 nan 0.000 0.569 389 V N -1.445 118.483 119.914 0.023 0.000 2.872 389 V HA 0.449 4.570 4.120 0.000 0.000 0.307 389 V C -0.391 175.710 176.094 0.012 0.000 1.072 389 V CA 0.105 62.419 62.300 0.023 0.000 1.148 389 V CB 0.791 32.632 31.823 0.031 0.000 0.954 389 V HN 0.603 nan 8.190 nan 0.000 0.490 390 P HA -0.130 nan 4.420 nan 0.000 0.217 390 P C 1.247 178.552 177.300 0.008 0.000 1.148 390 P CA 1.562 64.664 63.100 0.004 0.000 0.828 390 P CB 0.100 31.802 31.700 0.004 0.000 0.783 391 E N -1.176 119.031 120.200 0.011 0.000 2.401 391 E HA -0.130 4.220 4.350 0.000 0.000 0.199 391 E C 1.473 178.083 176.600 0.016 0.000 1.023 391 E CA 0.541 56.948 56.400 0.011 0.000 0.859 391 E CB -0.845 28.860 29.700 0.009 0.000 0.780 391 E HN 0.276 nan 8.360 nan 0.000 0.523 392 N N 0.786 119.496 118.700 0.017 0.000 2.381 392 N HA -0.030 4.711 4.740 0.000 0.000 0.182 392 N C 0.096 175.617 175.510 0.019 0.000 1.025 392 N CA 0.747 53.808 53.050 0.019 0.000 0.888 392 N CB -0.230 38.265 38.487 0.012 0.000 0.965 392 N HN 0.138 nan 8.380 nan 0.000 0.438 393 A N 1.193 124.025 122.820 0.021 0.000 2.545 393 A HA 0.170 4.490 4.320 0.000 0.000 0.253 393 A C 0.352 177.988 177.584 0.086 0.000 1.074 393 A CA 0.195 52.261 52.037 0.049 0.000 0.760 393 A CB -0.330 18.714 19.000 0.074 0.000 1.005 393 A HN 0.232 nan 8.150 nan 0.000 0.506 394 L N 1.991 123.295 121.223 0.134 0.000 2.400 394 L HA 0.325 4.665 4.340 0.000 0.000 0.264 394 L C 0.578 177.562 176.870 0.191 0.000 1.061 394 L CA -1.042 53.874 54.840 0.126 0.000 0.799 394 L CB 0.620 42.731 42.059 0.087 0.000 1.240 394 L HN 0.630 nan 8.230 nan 0.000 0.461 395 Q N 1.883 121.727 119.800 0.074 0.000 2.373 395 Q HA 0.245 4.586 4.340 0.000 0.000 0.255 395 Q C -2.203 173.819 176.000 0.036 0.000 0.980 395 Q CA -1.576 54.239 55.803 0.021 0.000 0.882 395 Q CB 0.643 29.381 28.738 0.001 0.000 1.249 395 Q HN 0.265 nan 8.270 nan 0.000 0.438 396 P HA 0.049 nan 4.420 nan 0.000 0.272 396 P C -0.442 176.929 177.300 0.120 0.000 1.230 396 P CA -0.104 62.988 63.100 -0.013 0.000 0.788 396 P CB 0.855 32.467 31.700 -0.146 0.000 0.949 397 T N -0.052 114.620 114.554 0.197 0.000 2.900 397 T HA 0.192 4.542 4.350 0.000 0.000 0.295 397 T C -0.781 174.093 174.700 0.290 0.000 1.044 397 T CA -0.508 61.759 62.100 0.278 0.000 0.995 397 T CB 0.422 69.487 68.868 0.329 0.000 1.072 397 T HN 0.380 nan 8.240 nan 0.000 0.473 398 H N 5.720 124.948 119.070 0.263 0.000 2.767 398 H HA 0.235 4.791 4.556 0.000 0.000 0.316 398 H C -1.583 173.948 175.328 0.339 0.000 1.059 398 H CA -1.700 54.519 56.048 0.284 0.000 1.461 398 H CB 1.869 31.835 29.762 0.341 0.000 1.475 398 H HN 0.431 nan 8.280 nan 0.000 0.531 399 P HA -0.134 nan 4.420 nan 0.000 0.222 399 P C 1.334 178.947 177.300 0.522 0.000 1.147 399 P CA 0.564 63.854 63.100 0.316 0.000 0.790 399 P CB 0.663 32.376 31.700 0.021 0.000 0.780 400 V N -1.292 118.982 119.914 0.599 0.000 2.331 400 V HA -0.139 3.981 4.120 0.000 0.000 0.242 400 V C 2.318 178.625 176.094 0.356 0.000 1.034 400 V CA 1.636 64.117 62.300 0.301 0.000 1.027 400 V CB -1.280 30.496 31.823 -0.078 0.000 0.667 400 V HN -0.033 nan 8.190 nan 0.000 0.457 401 Y N -0.595 120.031 120.300 0.543 0.000 2.510 401 Y HA 0.261 4.811 4.550 0.000 0.000 0.273 401 Y C 1.348 177.490 175.900 0.402 0.000 1.119 401 Y CA 0.237 58.590 58.100 0.423 0.000 1.286 401 Y CB -0.116 38.395 38.460 0.085 0.000 1.061 401 Y HN 0.381 nan 8.280 nan 0.000 0.542 402 N N 0.985 119.999 118.700 0.523 0.000 2.746 402 N HA -0.194 4.547 4.740 0.000 0.000 0.250 402 N C -0.963 174.456 175.510 -0.151 0.000 1.055 402 N CA 0.920 54.081 53.050 0.185 0.000 0.699 402 N CB -1.446 36.968 38.487 -0.121 0.000 0.919 402 N HN 0.642 nan 8.380 nan 0.000 0.548 403 I N -4.032 116.592 120.570 0.090 0.000 3.102 403 I HA 0.730 4.900 4.170 0.000 0.000 0.310 403 I C 0.940 177.206 176.117 0.249 0.000 1.246 403 I CA -1.018 60.321 61.300 0.065 0.000 0.979 403 I CB 1.549 39.589 38.000 0.066 0.000 1.267 403 I HN 0.030 nan 8.210 nan 0.000 0.451 404 G N 2.665 111.610 108.800 0.242 0.000 2.321 404 G HA2 0.247 4.207 3.960 0.000 0.000 0.237 404 G HA3 0.247 4.207 3.960 0.000 0.000 0.237 404 G C -1.426 173.596 174.900 0.203 0.000 1.282 404 G CA -0.678 44.544 45.100 0.203 0.000 0.886 404 G HN 0.681 nan 8.290 nan 0.000 0.528 405 P HA -0.127 nan 4.420 nan 0.000 0.220 405 P C 1.138 178.538 177.300 0.167 0.000 1.148 405 P CA 1.449 64.708 63.100 0.264 0.000 0.803 405 P CB 0.220 32.049 31.700 0.214 0.000 0.782 406 D N 0.445 120.913 120.400 0.114 0.000 2.144 406 D HA -0.166 4.474 4.640 0.000 0.000 0.200 406 D C 1.547 177.892 176.300 0.075 0.000 0.978 406 D CA 1.116 55.164 54.000 0.080 0.000 0.833 406 D CB -0.550 40.284 40.800 0.057 0.000 0.961 406 D HN 0.081 nan 8.370 nan 0.000 0.470 407 K N 0.743 121.191 120.400 0.080 0.000 2.097 407 K HA 0.006 4.326 4.320 0.000 0.000 0.205 407 K C 2.471 179.093 176.600 0.036 0.000 1.050 407 K CA 0.305 56.634 56.287 0.070 0.000 0.938 407 K CB -0.611 31.933 32.500 0.073 0.000 0.718 407 K HN 0.178 nan 8.250 nan 0.000 0.442 408 V N 2.003 121.922 119.914 0.009 0.000 2.295 408 V HA -0.214 3.907 4.120 0.000 0.000 0.246 408 V C 2.387 178.449 176.094 -0.054 0.000 1.049 408 V CA 1.478 63.710 62.300 -0.114 0.000 1.024 408 V CB -0.403 31.331 31.823 -0.148 0.000 0.648 408 V HN 0.174 nan 8.190 nan 0.000 0.447 409 I N -0.350 120.237 120.570 0.029 0.000 2.179 409 I HA -0.321 3.849 4.170 0.000 0.000 0.242 409 I C 2.665 178.797 176.117 0.025 0.000 1.088 409 I CA 1.941 63.265 61.300 0.040 0.000 1.357 409 I CB -0.421 37.618 38.000 0.066 0.000 1.051 409 I HN 0.384 nan 8.210 nan 0.000 0.409 410 Q N 0.861 120.684 119.800 0.038 0.000 2.084 410 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 410 Q C 2.310 178.295 176.000 -0.024 0.000 0.978 410 Q CA 1.860 57.692 55.803 0.049 0.000 0.844 410 Q CB -0.035 28.764 28.738 0.101 0.000 0.898 410 Q HN 0.555 nan 8.270 nan 0.000 0.426 411 A N 0.329 123.120 122.820 -0.048 0.000 1.855 411 A HA -0.184 4.136 4.320 0.000 0.000 0.215 411 A C 2.287 179.825 177.584 -0.077 0.000 1.191 411 A CA 2.069 53.977 52.037 -0.216 0.000 0.613 411 A CB -1.289 17.707 19.000 -0.007 0.000 0.829 411 A HN 0.648 nan 8.150 nan 0.000 0.442 412 T N -3.035 111.511 114.554 -0.013 0.000 2.759 412 T HA -0.152 4.199 4.350 0.000 0.000 0.269 412 T C 1.773 176.488 174.700 0.024 0.000 1.042 412 T CA 2.199 64.319 62.100 0.034 0.000 1.140 412 T CB -1.059 67.807 68.868 -0.003 0.000 0.864 412 T HN 0.311 nan 8.240 nan 0.000 0.455 413 T N 0.592 115.142 114.554 -0.007 0.000 2.777 413 T HA -0.019 4.331 4.350 0.000 0.000 0.266 413 T C 1.443 176.112 174.700 -0.052 0.000 1.040 413 T CA 1.339 63.433 62.100 -0.009 0.000 1.141 413 T CB -0.561 68.312 68.868 0.009 0.000 0.868 413 T HN 0.556 nan 8.240 nan 0.000 0.444 414 Y N 0.853 120.983 120.300 -0.284 0.000 2.133 414 Y HA -0.071 4.479 4.550 0.000 0.000 0.287 414 Y C 1.795 177.443 175.900 -0.419 0.000 1.134 414 Y CA 1.191 59.024 58.100 -0.445 0.000 1.133 414 Y CB -0.543 37.383 38.460 -0.890 0.000 0.987 414 Y HN 0.231 nan 8.280 nan 0.000 0.502 415 F N -0.509 119.347 119.950 -0.157 0.000 2.325 415 F HA -0.141 4.387 4.527 0.000 0.000 0.299 415 F C 2.090 177.806 175.800 -0.140 0.000 1.090 415 F CA 0.634 58.535 58.000 -0.165 0.000 1.392 415 F CB -0.325 38.623 39.000 -0.085 0.000 1.053 415 F HN 0.021 nan 8.300 nan 0.000 0.521 416 L N -0.263 120.988 121.223 0.045 0.000 2.353 416 L HA -0.204 4.136 4.340 0.000 0.000 0.220 416 L C 1.869 178.722 176.870 -0.029 0.000 1.133 416 L CA 1.094 55.948 54.840 0.023 0.000 0.798 416 L CB -0.475 41.596 42.059 0.021 0.000 0.922 416 L HN 0.243 nan 8.230 nan 0.000 0.445 417 Q N -0.354 119.382 119.800 -0.108 0.000 2.444 417 Q HA 0.033 4.373 4.340 0.000 0.000 0.206 417 Q C 0.004 175.929 176.000 -0.124 0.000 0.948 417 Q CA 0.440 56.163 55.803 -0.133 0.000 0.946 417 Q CB 0.326 28.938 28.738 -0.211 0.000 1.027 417 Q HN 0.413 nan 8.270 nan 0.000 0.513 418 K N 1.473 121.820 120.400 -0.088 0.000 2.156 418 K HA 0.401 4.721 4.320 0.000 0.000 0.250 418 K C -2.495 174.108 176.600 0.006 0.000 0.955 418 K CA -2.037 54.224 56.287 -0.042 0.000 0.855 418 K CB 1.333 33.832 32.500 -0.000 0.000 1.101 418 K HN -0.129 nan 8.250 nan 0.000 0.434 419 P HA 0.101 nan 4.420 nan 0.000 0.279 419 P C -0.425 176.909 177.300 0.055 0.000 1.252 419 P CA -0.511 62.605 63.100 0.028 0.000 0.811 419 P CB 0.756 32.463 31.700 0.011 0.000 1.035 420 V N 3.314 123.283 119.914 0.093 0.000 2.479 420 V HA 0.066 4.186 4.120 0.000 0.000 0.281 420 V C -1.876 174.283 176.094 0.110 0.000 1.031 420 V CA -1.231 61.143 62.300 0.124 0.000 1.038 420 V CB -0.278 31.689 31.823 0.240 0.000 0.981 420 V HN 0.548 nan 8.190 nan 0.000 0.478 421 P HA 0.002 nan 4.420 nan 0.000 0.245 421 P C 0.974 178.296 177.300 0.037 0.000 1.123 421 P CA 1.602 64.716 63.100 0.024 0.000 0.853 421 P CB -0.151 31.538 31.700 -0.018 0.000 0.786 422 G N 2.100 110.924 108.800 0.041 0.000 2.203 422 G HA2 -0.280 3.680 3.960 0.000 0.000 0.263 422 G HA3 -0.280 3.680 3.960 0.000 0.000 0.263 422 G C -0.248 174.731 174.900 0.132 0.000 1.012 422 G CA -0.265 44.863 45.100 0.046 0.000 0.749 422 G HN 0.529 nan 8.290 nan 0.000 0.512 423 F N 0.188 120.120 119.950 -0.030 0.000 2.578 423 F HA 0.744 5.272 4.527 0.000 0.000 0.311 423 F C -0.367 175.430 175.800 -0.004 0.000 1.094 423 F CA -0.961 57.030 58.000 -0.014 0.000 0.923 423 F CB 1.863 40.859 39.000 -0.006 0.000 1.230 423 F HN 0.203 nan 8.300 nan 0.000 0.450 424 E N 0.000 119.636 120.200 -0.940 0.000 2.725 424 E HA 0.000 4.350 4.350 0.000 0.000 0.291 424 E CA 0.000 56.008 56.400 -0.654 0.000 0.976 424 E CB 0.000 29.509 29.700 -0.318 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440