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 1s63_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 0.000 174.551 174.600 -0.082 0.000 1.055 15 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 15 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 16 S N 2.786 118.411 115.700 -0.126 0.000 2.617 16 S HA 0.772 5.242 4.470 0.000 0.000 0.283 16 S C -2.574 171.830 174.600 -0.327 0.000 1.189 16 S CA -0.755 57.313 58.200 -0.220 0.000 1.036 16 S CB 0.551 63.612 63.200 -0.231 0.000 1.014 16 S HN 0.512 nan 8.310 nan 0.000 0.522 17 P HA 0.100 nan 4.420 nan 0.000 0.272 17 P C 1.061 177.934 177.300 -0.712 0.000 1.230 17 P CA -0.600 62.044 63.100 -0.759 0.000 0.788 17 P CB 0.349 31.114 31.700 -1.559 0.000 0.949 18 V N -0.700 118.938 119.914 -0.460 0.000 2.867 18 V HA -0.140 3.980 4.120 0.000 0.000 0.260 18 V C 1.152 177.156 176.094 -0.151 0.000 1.099 18 V CA 1.116 63.280 62.300 -0.227 0.000 1.122 18 V CB -1.451 30.331 31.823 -0.069 0.000 0.708 18 V HN 0.712 nan 8.190 nan 0.000 0.490 19 W N 0.081 121.377 121.300 -0.007 0.000 3.256 19 W HA 0.578 5.238 4.660 0.000 0.000 0.269 19 W C 0.473 176.987 176.519 -0.008 0.000 1.310 19 W CA 0.116 57.457 57.345 -0.007 0.000 1.673 19 W CB -0.525 28.929 29.460 -0.009 0.000 1.115 19 W HN 0.344 nan 8.180 nan 0.000 0.686 20 S N 1.122 116.750 115.700 -0.120 0.000 2.571 20 S HA 0.348 4.819 4.470 0.000 0.000 0.284 20 S C -1.352 173.177 174.600 -0.119 0.000 1.128 20 S CA -0.352 57.821 58.200 -0.044 0.000 0.970 20 S CB 2.114 65.223 63.200 -0.151 0.000 1.039 20 S HN 0.220 nan 8.310 nan 0.000 0.485 21 E N 4.525 124.697 120.200 -0.046 0.000 2.316 21 E HA 0.452 4.802 4.350 0.000 0.000 0.254 21 E C -2.749 173.822 176.600 -0.050 0.000 0.902 21 E CA -2.228 54.138 56.400 -0.057 0.000 0.801 21 E CB 1.214 30.896 29.700 -0.030 0.000 1.270 21 E HN 0.305 nan 8.360 nan 0.000 0.414 22 P HA 0.005 nan 4.420 nan 0.000 0.265 22 P C -0.942 176.328 177.300 -0.050 0.000 1.187 22 P CA 0.376 63.440 63.100 -0.060 0.000 0.766 22 P CB 0.469 32.139 31.700 -0.049 0.000 0.820 23 L N 2.649 123.827 121.223 -0.074 0.000 2.346 23 L HA 0.329 4.669 4.340 0.000 0.000 0.274 23 L C 1.294 178.084 176.870 -0.133 0.000 1.007 23 L CA -0.820 53.958 54.840 -0.105 0.000 0.818 23 L CB 1.364 43.321 42.059 -0.171 0.000 1.284 23 L HN 0.394 nan 8.230 nan 0.000 0.424 24 Y N 1.882 122.034 120.300 -0.246 0.000 2.165 24 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 24 Y C 2.251 177.820 175.900 -0.552 0.000 1.155 24 Y CA 2.151 60.079 58.100 -0.287 0.000 1.164 24 Y CB 0.226 38.535 38.460 -0.251 0.000 0.978 24 Y HN 0.648 nan 8.280 nan 0.000 0.513 25 S N 0.099 115.336 115.700 -0.771 0.000 2.507 25 S HA -0.030 4.440 4.470 0.000 0.000 0.235 25 S C 1.542 175.508 174.600 -1.057 0.000 0.988 25 S CA 1.119 58.415 58.200 -1.506 0.000 0.944 25 S CB -0.243 61.834 63.200 -1.872 0.000 0.762 25 S HN 0.467 nan 8.310 nan 0.000 0.526 26 L N 0.429 121.304 121.223 -0.581 0.000 2.640 26 L HA 0.236 4.577 4.340 0.000 0.000 0.230 26 L C 0.599 177.366 176.870 -0.171 0.000 1.123 26 L CA -0.126 54.540 54.840 -0.290 0.000 0.900 26 L CB 0.039 41.984 42.059 -0.190 0.000 1.146 26 L HN 0.044 nan 8.230 nan 0.000 0.484 27 R N 1.630 122.002 120.500 -0.215 0.000 2.679 27 R HA 0.029 4.370 4.340 0.000 0.000 0.268 27 R C -1.163 175.110 176.300 -0.046 0.000 1.044 27 R CA -1.097 54.933 56.100 -0.116 0.000 1.105 27 R CB 0.266 30.475 30.300 -0.153 0.000 0.989 27 R HN -0.111 nan 8.270 nan 0.000 0.447 28 P HA -0.157 nan 4.420 nan 0.000 0.218 28 P C -0.006 177.303 177.300 0.016 0.000 1.149 28 P CA 1.387 64.494 63.100 0.012 0.000 0.817 28 P CB 0.285 31.992 31.700 0.011 0.000 0.785 29 E N -1.290 118.908 120.200 -0.004 0.000 2.338 29 E HA -0.168 4.182 4.350 0.000 0.000 0.197 29 E C 2.129 178.722 176.600 -0.012 0.000 1.007 29 E CA 0.523 56.917 56.400 -0.010 0.000 0.849 29 E CB -1.255 28.431 29.700 -0.023 0.000 0.774 29 E HN 0.484 nan 8.360 nan 0.000 0.506 30 H N 0.383 119.379 119.070 -0.124 0.000 2.456 30 H HA 0.000 4.557 4.556 0.000 0.000 0.296 30 H C 1.831 177.206 175.328 0.079 0.000 1.079 30 H CA 1.225 57.194 56.048 -0.131 0.000 1.322 30 H CB 0.212 29.806 29.762 -0.279 0.000 1.388 30 H HN 0.279 nan 8.280 nan 0.000 0.538 31 A N 0.882 123.765 122.820 0.105 0.000 2.024 31 A HA -0.180 4.140 4.320 0.000 0.000 0.220 31 A C 2.414 180.004 177.584 0.010 0.000 1.164 31 A CA 1.266 53.369 52.037 0.109 0.000 0.643 31 A CB -0.420 18.628 19.000 0.080 0.000 0.806 31 A HN 0.290 nan 8.150 nan 0.000 0.451 32 R N -0.005 120.483 120.500 -0.020 0.000 2.237 32 R HA -0.034 4.307 4.340 0.000 0.000 0.219 32 R C 1.175 177.442 176.300 -0.055 0.000 1.080 32 R CA 1.015 57.092 56.100 -0.038 0.000 0.995 32 R CB -0.041 30.241 30.300 -0.031 0.000 0.875 32 R HN 0.462 nan 8.270 nan 0.000 0.462 33 E N 0.323 120.477 120.200 -0.077 0.000 2.502 33 E HA -0.003 4.347 4.350 0.000 0.000 0.194 33 E C 0.058 176.644 176.600 -0.024 0.000 1.062 33 E CA 0.208 56.573 56.400 -0.059 0.000 0.867 33 E CB 0.101 29.696 29.700 -0.174 0.000 0.888 33 E HN 0.110 nan 8.360 nan 0.000 0.510 34 R N 0.935 121.358 120.500 -0.129 0.000 2.694 34 R HA 0.063 4.403 4.340 0.000 0.000 0.268 34 R C 0.564 176.760 176.300 -0.175 0.000 1.061 34 R CA -0.603 55.308 56.100 -0.315 0.000 1.133 34 R CB 0.167 30.244 30.300 -0.372 0.000 1.020 34 R HN 0.064 nan 8.270 nan 0.000 0.475 35 L N 2.080 123.195 121.223 -0.180 0.000 2.559 35 L HA -0.087 4.253 4.340 0.000 0.000 0.282 35 L C -0.097 176.722 176.870 -0.085 0.000 1.232 35 L CA 1.170 55.947 54.840 -0.105 0.000 0.885 35 L CB 0.232 42.232 42.059 -0.098 0.000 1.131 35 L HN 0.410 nan 8.230 nan 0.000 0.498 36 Q N 3.408 123.174 119.800 -0.057 0.000 2.394 36 Q HA 0.172 4.513 4.340 0.000 0.000 0.259 36 Q C -0.164 175.815 176.000 -0.035 0.000 1.021 36 Q CA -0.350 55.426 55.803 -0.045 0.000 0.805 36 Q CB 0.993 29.710 28.738 -0.035 0.000 1.226 36 Q HN 0.743 nan 8.270 nan 0.000 0.476 37 D N 1.701 122.080 120.400 -0.035 0.000 2.328 37 D HA -0.096 4.544 4.640 0.000 0.000 0.226 37 D C -0.320 175.968 176.300 -0.019 0.000 1.066 37 D CA 0.029 54.014 54.000 -0.026 0.000 0.861 37 D CB 0.244 41.027 40.800 -0.028 0.000 0.912 37 D HN 0.446 nan 8.370 nan 0.000 0.521 38 D N -0.226 120.163 120.400 -0.019 0.000 2.983 38 D HA -0.240 4.401 4.640 0.000 0.000 0.225 38 D C -0.136 176.156 176.300 -0.013 0.000 1.174 38 D CA 1.146 55.138 54.000 -0.014 0.000 0.831 38 D CB -1.763 39.031 40.800 -0.009 0.000 1.104 38 D HN 0.282 nan 8.370 nan 0.000 0.421 39 S N -2.679 113.011 115.700 -0.015 0.000 3.476 39 S HA -0.222 4.248 4.470 0.000 0.000 0.309 39 S C 0.189 174.782 174.600 -0.011 0.000 1.222 39 S CA 0.912 59.103 58.200 -0.014 0.000 0.922 39 S CB -0.803 62.389 63.200 -0.012 0.000 1.023 39 S HN 0.369 nan 8.310 nan 0.000 0.591 40 V N 1.964 121.872 119.914 -0.010 0.000 2.325 40 V HA 0.295 4.415 4.120 0.000 0.000 0.280 40 V C 0.257 176.347 176.094 -0.008 0.000 1.016 40 V CA -0.539 61.757 62.300 -0.007 0.000 0.818 40 V CB 1.448 33.268 31.823 -0.005 0.000 1.019 40 V HN 0.323 nan 8.190 nan 0.000 0.434 41 E N 3.101 123.297 120.200 -0.008 0.000 2.283 41 E HA 0.617 4.967 4.350 0.000 0.000 0.278 41 E C 0.074 176.672 176.600 -0.003 0.000 1.027 41 E CA -0.274 56.121 56.400 -0.008 0.000 0.843 41 E CB 1.861 31.555 29.700 -0.009 0.000 1.062 41 E HN 0.791 nan 8.360 nan 0.000 0.401 42 T N -2.192 112.361 114.554 -0.002 0.000 2.841 42 T HA 0.197 4.547 4.350 0.000 0.000 0.296 42 T C 0.982 175.684 174.700 0.004 0.000 1.166 42 T CA -0.823 61.279 62.100 0.003 0.000 1.007 42 T CB 0.935 69.807 68.868 0.007 0.000 1.253 42 T HN 0.100 nan 8.240 nan 0.000 0.511 43 V N 1.161 121.079 119.914 0.008 0.000 2.324 43 V HA -0.210 3.910 4.120 0.000 0.000 0.250 43 V C 2.910 179.010 176.094 0.010 0.000 1.060 43 V CA 2.798 65.104 62.300 0.010 0.000 1.042 43 V CB -1.465 30.367 31.823 0.015 0.000 0.650 43 V HN 1.104 nan 8.190 nan 0.000 0.450 44 T N 0.499 115.060 114.554 0.013 0.000 2.652 44 T HA -0.202 4.148 4.350 0.000 0.000 0.267 44 T C 2.115 176.818 174.700 0.004 0.000 1.039 44 T CA 2.100 64.207 62.100 0.013 0.000 1.153 44 T CB -0.415 68.464 68.868 0.018 0.000 0.863 44 T HN 0.760 nan 8.240 nan 0.000 0.428 45 S N 1.350 117.049 115.700 -0.002 0.000 2.383 45 S HA -0.008 4.462 4.470 0.000 0.000 0.227 45 S C 2.112 176.702 174.600 -0.016 0.000 1.026 45 S CA 0.737 58.930 58.200 -0.012 0.000 0.981 45 S CB -0.793 62.398 63.200 -0.014 0.000 0.818 45 S HN 0.479 nan 8.310 nan 0.000 0.472 46 I N 1.789 122.353 120.570 -0.011 0.000 2.226 46 I HA -0.135 4.035 4.170 0.000 0.000 0.245 46 I C 2.831 178.942 176.117 -0.011 0.000 1.100 46 I CA 1.413 62.705 61.300 -0.012 0.000 1.374 46 I CB -0.326 37.669 38.000 -0.007 0.000 1.057 46 I HN 0.259 nan 8.210 nan 0.000 0.413 47 E N 0.281 120.479 120.200 -0.003 0.000 2.072 47 E HA -0.257 4.094 4.350 0.000 0.000 0.191 47 E C 2.010 178.609 176.600 -0.002 0.000 0.985 47 E CA 1.067 57.469 56.400 0.002 0.000 0.801 47 E CB -0.342 29.366 29.700 0.013 0.000 0.750 47 E HN 0.406 nan 8.360 nan 0.000 0.452 48 Q N 1.046 120.842 119.800 -0.007 0.000 2.050 48 Q HA -0.063 4.278 4.340 0.000 0.000 0.202 48 Q C 1.980 177.960 176.000 -0.033 0.000 0.980 48 Q CA 2.079 57.874 55.803 -0.013 0.000 0.840 48 Q CB -0.504 28.223 28.738 -0.018 0.000 0.898 48 Q HN 0.197 nan 8.270 nan 0.000 0.424 49 A N 0.236 123.029 122.820 -0.046 0.000 1.933 49 A HA -0.204 4.116 4.320 0.000 0.000 0.218 49 A C 2.044 179.592 177.584 -0.059 0.000 1.175 49 A CA 1.768 53.763 52.037 -0.071 0.000 0.628 49 A CB -0.473 18.488 19.000 -0.064 0.000 0.814 49 A HN 0.400 nan 8.150 nan 0.000 0.444 50 K N -0.614 119.766 120.400 -0.034 0.000 2.057 50 K HA -0.066 4.254 4.320 0.000 0.000 0.207 50 K C 1.849 178.440 176.600 -0.016 0.000 1.049 50 K CA 1.426 57.700 56.287 -0.023 0.000 0.931 50 K CB -0.290 32.203 32.500 -0.011 0.000 0.714 50 K HN 0.288 nan 8.250 nan 0.000 0.440 51 V N 1.562 121.472 119.914 -0.005 0.000 2.307 51 V HA -0.234 3.887 4.120 0.000 0.000 0.245 51 V C 1.902 178.010 176.094 0.022 0.000 1.045 51 V CA 1.765 64.075 62.300 0.017 0.000 1.024 51 V CB -0.365 31.478 31.823 0.033 0.000 0.651 51 V HN 0.340 nan 8.190 nan 0.000 0.449 52 E N -0.223 119.971 120.200 -0.010 0.000 2.110 52 E HA -0.286 4.064 4.350 0.000 0.000 0.193 52 E C 2.207 178.766 176.600 -0.068 0.000 0.988 52 E CA 1.379 57.750 56.400 -0.048 0.000 0.804 52 E CB -0.105 29.420 29.700 -0.292 0.000 0.745 52 E HN 0.563 nan 8.360 nan 0.000 0.458 53 E N 1.567 121.720 120.200 -0.078 0.000 2.051 53 E HA -0.231 4.119 4.350 0.000 0.000 0.192 53 E C 1.875 178.468 176.600 -0.011 0.000 0.991 53 E CA 1.494 57.862 56.400 -0.053 0.000 0.799 53 E CB -0.030 29.642 29.700 -0.048 0.000 0.748 53 E HN -0.073 nan 8.360 nan 0.000 0.449 54 K N 0.234 120.629 120.400 -0.008 0.000 2.057 54 K HA -0.043 4.278 4.320 0.000 0.000 0.207 54 K C 1.937 178.520 176.600 -0.029 0.000 1.049 54 K CA 1.311 57.593 56.287 -0.009 0.000 0.931 54 K CB -0.506 31.990 32.500 -0.006 0.000 0.714 54 K HN 0.177 nan 8.250 nan 0.000 0.440 55 I N 1.168 121.717 120.570 -0.035 0.000 2.226 55 I HA -0.211 3.959 4.170 0.000 0.000 0.245 55 I C 2.283 178.223 176.117 -0.295 0.000 1.100 55 I CA 1.327 62.500 61.300 -0.210 0.000 1.374 55 I CB -1.277 36.629 38.000 -0.157 0.000 1.057 55 I HN 0.356 nan 8.210 nan 0.000 0.413 56 Q N 1.510 121.359 119.800 0.082 0.000 2.084 56 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 56 Q C 2.040 178.123 176.000 0.139 0.000 0.978 56 Q CA 1.804 57.761 55.803 0.256 0.000 0.844 56 Q CB -0.172 28.744 28.738 0.298 0.000 0.898 56 Q HN 0.523 nan 8.270 nan 0.000 0.426 57 E N -0.985 119.251 120.200 0.061 0.000 2.077 57 E HA -0.159 4.191 4.350 0.000 0.000 0.193 57 E C 1.984 178.619 176.600 0.058 0.000 0.989 57 E CA 1.481 57.910 56.400 0.048 0.000 0.800 57 E CB -0.046 29.666 29.700 0.020 0.000 0.746 57 E HN 0.206 nan 8.360 nan 0.000 0.452 58 V N 0.930 120.860 119.914 0.026 0.000 2.295 58 V HA -0.255 3.865 4.120 0.000 0.000 0.246 58 V C 2.019 178.286 176.094 0.290 0.000 1.049 58 V CA 1.747 64.105 62.300 0.097 0.000 1.024 58 V CB -0.648 31.177 31.823 0.003 0.000 0.648 58 V HN 0.284 nan 8.190 nan 0.000 0.447 59 F N 0.515 120.547 119.950 0.137 0.000 2.091 59 F HA -0.244 4.284 4.527 0.000 0.000 0.299 59 F C 2.764 178.620 175.800 0.093 0.000 1.103 59 F CA 1.407 59.462 58.000 0.092 0.000 1.228 59 F CB -0.392 38.613 39.000 0.008 0.000 0.984 59 F HN 0.121 nan 8.300 nan 0.000 0.477 60 S N -0.164 115.688 115.700 0.252 0.000 2.419 60 S HA -0.197 4.273 4.470 0.000 0.000 0.235 60 S C 2.023 176.588 174.600 -0.059 0.000 1.019 60 S CA 1.403 59.650 58.200 0.078 0.000 0.982 60 S CB -0.497 62.740 63.200 0.062 0.000 0.789 60 S HN 0.477 nan 8.310 nan 0.000 0.490 61 S N -0.029 115.655 115.700 -0.027 0.000 2.515 61 S HA -0.006 4.464 4.470 0.000 0.000 0.231 61 S C 1.131 175.472 174.600 -0.432 0.000 0.987 61 S CA 0.465 58.540 58.200 -0.209 0.000 0.936 61 S CB -0.511 62.590 63.200 -0.165 0.000 0.766 61 S HN 0.579 nan 8.310 nan 0.000 0.528 62 Y N 1.327 121.522 120.300 -0.174 0.000 2.457 62 Y HA 0.468 5.018 4.550 0.000 0.000 0.263 62 Y C 0.806 176.525 175.900 -0.301 0.000 1.164 62 Y CA -0.329 57.694 58.100 -0.128 0.000 1.274 62 Y CB 0.319 38.782 38.460 0.006 0.000 1.097 62 Y HN 0.196 nan 8.280 nan 0.000 0.523 63 K N 0.270 120.389 120.400 -0.469 0.000 2.270 63 K HA 0.435 4.756 4.320 0.000 0.000 0.255 63 K C -1.727 174.388 176.600 -0.808 0.000 0.936 63 K CA -0.581 55.466 56.287 -0.400 0.000 0.809 63 K CB 0.736 33.143 32.500 -0.156 0.000 1.131 63 K HN -0.048 nan 8.250 nan 0.000 0.427 64 F N 4.885 124.870 119.950 0.058 0.000 2.622 64 F HA 0.286 4.813 4.527 0.000 0.000 0.338 64 F C 0.466 176.308 175.800 0.071 0.000 1.334 64 F CA -0.781 57.249 58.000 0.051 0.000 1.179 64 F CB 0.256 39.278 39.000 0.038 0.000 1.471 64 F HN 0.722 nan 8.300 nan 0.000 0.576 65 N N 0.279 119.054 118.700 0.125 0.000 1.293 65 N HA -0.384 4.356 4.740 0.000 0.000 0.140 65 N C 1.151 176.775 175.510 0.190 0.000 0.753 65 N CA 1.954 55.088 53.050 0.139 0.000 0.979 65 N CB -0.827 37.749 38.487 0.148 0.000 1.228 65 N HN 0.605 nan 8.380 nan 0.000 0.509 66 H N 1.018 120.153 119.070 0.108 0.000 2.551 66 H HA 0.325 4.881 4.556 0.000 0.000 0.266 66 H C 0.179 175.603 175.328 0.161 0.000 0.977 66 H CA 0.262 56.374 56.048 0.107 0.000 1.163 66 H CB -0.079 29.738 29.762 0.091 0.000 1.381 66 H HN 0.291 nan 8.280 nan 0.000 0.581 67 L N 1.488 122.831 121.223 0.201 0.000 2.260 67 L HA 0.335 4.675 4.340 0.000 0.000 0.289 67 L C -0.996 176.033 176.870 0.266 0.000 1.057 67 L CA -0.376 54.608 54.840 0.239 0.000 0.811 67 L CB 0.913 43.133 42.059 0.268 0.000 1.184 67 L HN -0.084 nan 8.230 nan 0.000 0.429 68 V N 7.170 127.196 119.914 0.186 0.000 2.320 68 V HA 0.362 4.482 4.120 0.000 0.000 0.268 68 V C -2.195 174.020 176.094 0.202 0.000 1.021 68 V CA -1.414 60.996 62.300 0.184 0.000 0.813 68 V CB 0.873 32.728 31.823 0.054 0.000 1.054 68 V HN 0.693 nan 8.190 nan 0.000 0.444 69 P HA 0.120 nan 4.420 nan 0.000 0.267 69 P C 0.234 177.644 177.300 0.183 0.000 1.200 69 P CA 0.024 63.260 63.100 0.226 0.000 0.772 69 P CB 0.525 32.350 31.700 0.209 0.000 0.855 70 R N 1.968 122.552 120.500 0.141 0.000 2.640 70 R HA 0.106 4.446 4.340 0.000 0.000 0.270 70 R C 0.264 176.630 176.300 0.109 0.000 1.024 70 R CA -0.237 55.922 56.100 0.097 0.000 1.085 70 R CB -0.152 30.193 30.300 0.075 0.000 0.963 70 R HN 0.479 nan 8.270 nan 0.000 0.426 71 L N 2.559 123.826 121.223 0.075 0.000 2.439 71 L HA 0.218 4.558 4.340 0.000 0.000 0.269 71 L C -0.089 176.820 176.870 0.065 0.000 1.179 71 L CA -0.258 54.622 54.840 0.068 0.000 0.828 71 L CB 0.859 42.909 42.059 -0.015 0.000 1.106 71 L HN 0.294 nan 8.230 nan 0.000 0.467 72 V N 3.559 123.522 119.914 0.082 0.000 2.531 72 V HA 0.251 4.371 4.120 0.000 0.000 0.301 72 V C -0.307 175.827 176.094 0.068 0.000 1.034 72 V CA -0.627 61.714 62.300 0.068 0.000 0.865 72 V CB 2.032 33.897 31.823 0.070 0.000 0.995 72 V HN 0.436 nan 8.190 nan 0.000 0.424 73 L N 5.200 126.461 121.223 0.064 0.000 2.313 73 L HA 0.391 4.731 4.340 0.000 0.000 0.282 73 L C 0.714 177.621 176.870 0.063 0.000 1.092 73 L CA 0.433 55.334 54.840 0.101 0.000 0.831 73 L CB 0.976 43.096 42.059 0.102 0.000 1.159 73 L HN 0.609 nan 8.230 nan 0.000 0.442 74 Q N 5.483 125.280 119.800 -0.006 0.000 3.223 74 Q HA 0.064 4.405 4.340 0.000 0.000 0.299 74 Q C 1.080 176.882 176.000 -0.331 0.000 1.385 74 Q CA 0.157 55.835 55.803 -0.208 0.000 0.942 74 Q CB -0.247 28.305 28.738 -0.309 0.000 1.748 74 Q HN 0.728 nan 8.270 nan 0.000 0.523 75 R N 0.517 120.989 120.500 -0.046 0.000 2.136 75 R HA -0.209 4.132 4.340 0.000 0.000 0.242 75 R C 1.599 177.929 176.300 0.051 0.000 1.131 75 R CA 1.335 57.465 56.100 0.050 0.000 0.937 75 R CB 0.070 30.391 30.300 0.036 0.000 0.863 75 R HN 0.335 nan 8.270 nan 0.000 0.435 76 E N 0.882 121.101 120.200 0.032 0.000 2.118 76 E HA -0.174 4.176 4.350 0.000 0.000 0.195 76 E C 1.879 178.583 176.600 0.173 0.000 0.992 76 E CA 1.356 57.826 56.400 0.116 0.000 0.804 76 E CB -0.043 29.741 29.700 0.139 0.000 0.741 76 E HN 0.376 nan 8.360 nan 0.000 0.458 77 K N -0.257 120.170 120.400 0.044 0.000 2.057 77 K HA -0.105 4.215 4.320 0.000 0.000 0.206 77 K C 2.139 178.799 176.600 0.100 0.000 1.050 77 K CA 1.015 57.331 56.287 0.048 0.000 0.935 77 K CB -0.186 32.250 32.500 -0.106 0.000 0.715 77 K HN 0.199 nan 8.250 nan 0.000 0.439 78 H N -0.098 119.063 119.070 0.152 0.000 2.353 78 H HA -0.136 4.420 4.556 0.000 0.000 0.300 78 H C 1.988 177.440 175.328 0.207 0.000 1.090 78 H CA 1.222 57.380 56.048 0.184 0.000 1.327 78 H CB -0.598 29.245 29.762 0.134 0.000 1.383 78 H HN 0.164 nan 8.280 nan 0.000 0.508 79 F N 2.031 122.044 119.950 0.105 0.000 2.095 79 F HA -0.244 4.283 4.527 0.000 0.000 0.298 79 F C 2.485 178.239 175.800 -0.077 0.000 1.104 79 F CA 1.568 59.540 58.000 -0.046 0.000 1.232 79 F CB -0.425 38.459 39.000 -0.194 0.000 0.987 79 F HN 0.146 nan 8.300 nan 0.000 0.475 80 H N -1.591 117.385 119.070 -0.156 0.000 2.389 80 H HA -0.173 4.383 4.556 0.000 0.000 0.299 80 H C 2.063 177.346 175.328 -0.075 0.000 1.081 80 H CA 1.863 57.763 56.048 -0.246 0.000 1.345 80 H CB -1.042 28.689 29.762 -0.053 0.000 1.393 80 H HN 0.477 nan 8.280 nan 0.000 0.520 81 Y N 1.549 121.881 120.300 0.053 0.000 2.200 81 Y HA -0.147 4.403 4.550 0.000 0.000 0.290 81 Y C 2.367 178.370 175.900 0.172 0.000 1.137 81 Y CA 0.995 59.160 58.100 0.108 0.000 1.163 81 Y CB -0.665 37.867 38.460 0.119 0.000 0.988 81 Y HN -0.003 nan 8.280 nan 0.000 0.518 82 L N 0.446 121.669 121.223 0.000 0.000 2.027 82 L HA -0.209 4.132 4.340 0.000 0.000 0.206 82 L C 2.674 179.405 176.870 -0.232 0.000 1.074 82 L CA 1.942 56.720 54.840 -0.103 0.000 0.745 82 L CB -0.654 41.406 42.059 0.003 0.000 0.898 82 L HN 0.126 nan 8.230 nan 0.000 0.433 83 K N 0.322 120.530 120.400 -0.320 0.000 2.063 83 K HA -0.273 4.047 4.320 0.000 0.000 0.208 83 K C 2.370 178.835 176.600 -0.224 0.000 1.048 83 K CA 1.632 57.715 56.287 -0.341 0.000 0.928 83 K CB 0.018 32.152 32.500 -0.611 0.000 0.713 83 K HN -0.006 nan 8.250 nan 0.000 0.442 84 R N 0.305 120.704 120.500 -0.167 0.000 2.066 84 R HA -0.037 4.303 4.340 0.000 0.000 0.232 84 R C 2.190 178.398 176.300 -0.154 0.000 1.131 84 R CA 2.045 58.083 56.100 -0.104 0.000 0.955 84 R CB -1.148 29.145 30.300 -0.012 0.000 0.851 84 R HN 0.335 nan 8.270 nan 0.000 0.432 85 G N 0.511 109.179 108.800 -0.220 0.000 2.432 85 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 85 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 85 G C 1.243 175.827 174.900 -0.525 0.000 1.135 85 G CA 0.743 45.583 45.100 -0.434 0.000 0.767 85 G HN 0.347 nan 8.290 nan 0.000 0.550 86 L N -0.030 120.942 121.223 -0.419 0.000 2.265 86 L HA 0.109 4.449 4.340 0.000 0.000 0.215 86 L C 2.543 179.247 176.870 -0.276 0.000 1.117 86 L CA 1.300 55.934 54.840 -0.342 0.000 0.782 86 L CB -0.081 41.827 42.059 -0.251 0.000 0.914 86 L HN 0.029 nan 8.230 nan 0.000 0.441 87 R N -1.299 119.063 120.500 -0.231 0.000 2.121 87 R HA 0.295 4.635 4.340 0.000 0.000 0.206 87 R C 0.508 176.697 176.300 -0.186 0.000 1.094 87 R CA 0.322 56.309 56.100 -0.188 0.000 1.055 87 R CB -0.213 30.009 30.300 -0.130 0.000 0.964 87 R HN 0.381 nan 8.270 nan 0.000 0.473 88 Q N -0.121 119.579 119.800 -0.167 0.000 2.416 88 Q HA 0.621 4.961 4.340 0.000 0.000 0.281 88 Q C -1.639 174.290 176.000 -0.117 0.000 1.067 88 Q CA -0.510 55.217 55.803 -0.127 0.000 0.809 88 Q CB 2.249 30.943 28.738 -0.074 0.000 1.418 88 Q HN -0.014 nan 8.270 nan 0.000 0.411 89 L N 0.984 122.159 121.223 -0.079 0.000 2.393 89 L HA 0.589 4.929 4.340 0.000 0.000 0.260 89 L C 0.008 176.935 176.870 0.094 0.000 1.002 89 L CA -1.017 53.805 54.840 -0.030 0.000 0.818 89 L CB 2.293 44.251 42.059 -0.169 0.000 1.369 89 L HN 0.790 nan 8.230 nan 0.000 0.412 90 T N -3.704 110.970 114.554 0.201 0.000 2.788 90 T HA 0.078 4.428 4.350 0.000 0.000 0.287 90 T C 0.712 175.537 174.700 0.208 0.000 1.007 90 T CA -0.308 61.902 62.100 0.182 0.000 1.005 90 T CB 0.692 69.670 68.868 0.183 0.000 1.012 90 T HN 0.739 nan 8.240 nan 0.000 0.530 91 D N -0.190 120.291 120.400 0.135 0.000 2.392 91 D HA -0.006 4.634 4.640 0.000 0.000 0.228 91 D C 1.803 178.168 176.300 0.109 0.000 1.003 91 D CA 0.778 54.847 54.000 0.115 0.000 0.917 91 D CB -0.700 40.144 40.800 0.073 0.000 0.890 91 D HN 0.669 nan 8.370 nan 0.000 0.532 92 A N -0.528 122.364 122.820 0.120 0.000 2.121 92 A HA -0.087 4.233 4.320 0.000 0.000 0.218 92 A C 1.174 178.705 177.584 -0.088 0.000 1.154 92 A CA 0.435 52.483 52.037 0.018 0.000 0.679 92 A CB -0.819 18.186 19.000 0.009 0.000 0.795 92 A HN 0.321 nan 8.150 nan 0.000 0.458 93 Y N 0.082 120.444 120.300 0.104 0.000 2.468 93 Y HA 0.122 4.673 4.550 0.000 0.000 0.268 93 Y C 1.811 177.771 175.900 0.101 0.000 1.177 93 Y CA 0.140 58.316 58.100 0.126 0.000 1.265 93 Y CB 0.040 38.592 38.460 0.153 0.000 1.103 93 Y HN 0.449 nan 8.280 nan 0.000 0.522 94 E N -0.547 119.739 120.200 0.143 0.000 2.204 94 E HA -0.221 4.129 4.350 0.000 0.000 0.195 94 E C 2.040 178.694 176.600 0.090 0.000 0.990 94 E CA 1.385 57.850 56.400 0.108 0.000 0.821 94 E CB -0.223 29.521 29.700 0.072 0.000 0.750 94 E HN 0.642 nan 8.360 nan 0.000 0.477 95 C N -0.570 118.768 119.300 0.063 0.000 2.472 95 C HA 0.094 4.554 4.460 0.000 0.000 0.278 95 C C 1.776 176.821 174.990 0.093 0.000 1.447 95 C CA -0.151 58.898 59.018 0.051 0.000 1.773 95 C CB -0.904 26.841 27.740 0.008 0.000 1.793 95 C HN 0.227 nan 8.230 nan 0.000 0.544 96 L N 0.841 122.160 121.223 0.160 0.000 2.965 96 L HA 0.221 4.561 4.340 0.000 0.000 0.254 96 L C 1.560 178.552 176.870 0.204 0.000 1.220 96 L CA 0.198 55.173 54.840 0.227 0.000 1.023 96 L CB -0.291 42.005 42.059 0.394 0.000 1.355 96 L HN 0.175 nan 8.230 nan 0.000 0.545 97 D N 1.266 121.757 120.400 0.151 0.000 2.310 97 D HA -0.121 4.519 4.640 0.000 0.000 0.212 97 D C 1.702 178.067 176.300 0.108 0.000 0.965 97 D CA 1.013 55.088 54.000 0.126 0.000 0.879 97 D CB 0.486 41.343 40.800 0.094 0.000 0.921 97 D HN 0.284 nan 8.370 nan 0.000 0.510 98 A N -0.996 121.881 122.820 0.094 0.000 2.460 98 A HA 0.394 4.714 4.320 0.000 0.000 0.258 98 A C 0.939 178.579 177.584 0.093 0.000 1.300 98 A CA -0.237 51.837 52.037 0.063 0.000 0.913 98 A CB 0.418 19.430 19.000 0.019 0.000 1.031 98 A HN 0.043 nan 8.150 nan 0.000 0.512 99 S N -0.858 114.939 115.700 0.162 0.000 3.025 99 S HA 0.170 4.640 4.470 0.000 0.000 0.251 99 S C 1.180 175.913 174.600 0.222 0.000 0.954 99 S CA -0.476 57.883 58.200 0.265 0.000 1.092 99 S CB 0.012 63.387 63.200 0.291 0.000 1.079 99 S HN 0.601 nan 8.310 nan 0.000 0.543 100 R N 1.832 122.442 120.500 0.184 0.000 2.096 100 R HA -0.060 4.280 4.340 0.000 0.000 0.235 100 R C -1.154 175.236 176.300 0.150 0.000 1.127 100 R CA 1.422 57.640 56.100 0.196 0.000 0.968 100 R CB -1.195 29.299 30.300 0.323 0.000 0.861 100 R HN 0.294 nan 8.270 nan 0.000 0.440 101 P HA -0.140 nan 4.420 nan 0.000 0.223 101 P C 0.319 177.466 177.300 -0.255 0.000 1.151 101 P CA 0.968 63.996 63.100 -0.120 0.000 0.787 101 P CB -0.039 31.487 31.700 -0.290 0.000 0.788 102 W N -0.651 120.476 121.300 -0.288 0.000 2.381 102 W HA -0.063 4.597 4.660 0.000 0.000 0.301 102 W C 2.078 178.091 176.519 -0.843 0.000 1.205 102 W CA 0.495 57.411 57.345 -0.715 0.000 1.285 102 W CB -0.879 27.962 29.460 -1.033 0.000 1.133 102 W HN -0.139 nan 8.180 nan 0.000 0.521 103 L N -0.984 120.128 121.223 -0.185 0.000 2.046 103 L HA -0.283 4.057 4.340 0.000 0.000 0.208 103 L C 2.358 179.165 176.870 -0.104 0.000 1.077 103 L CA 1.089 55.915 54.840 -0.023 0.000 0.747 103 L CB -1.009 41.030 42.059 -0.034 0.000 0.896 103 L HN 0.083 nan 8.230 nan 0.000 0.432 104 C N -1.341 117.895 119.300 -0.105 0.000 2.432 104 C HA -0.224 4.236 4.460 0.000 0.000 0.277 104 C C 2.746 177.693 174.990 -0.072 0.000 1.249 104 C CA 0.627 59.587 59.018 -0.097 0.000 1.725 104 C CB -0.800 26.916 27.740 -0.040 0.000 2.028 104 C HN 0.563 nan 8.230 nan 0.000 0.477 105 Y N 0.637 120.823 120.300 -0.190 0.000 2.114 105 Y HA -0.187 4.363 4.550 0.000 0.000 0.284 105 Y C 2.312 178.248 175.900 0.060 0.000 1.143 105 Y CA 1.462 59.472 58.100 -0.149 0.000 1.135 105 Y CB -0.742 37.542 38.460 -0.293 0.000 0.980 105 Y HN 0.371 nan 8.280 nan 0.000 0.499 106 W N 0.674 121.847 121.300 -0.212 0.000 2.318 106 W HA -0.244 4.416 4.660 0.000 0.000 0.313 106 W C 2.499 178.865 176.519 -0.256 0.000 1.221 106 W CA 1.606 58.778 57.345 -0.288 0.000 1.266 106 W CB -1.296 28.208 29.460 0.074 0.000 1.150 106 W HN 0.204 nan 8.180 nan 0.000 0.496 107 I N -0.422 120.157 120.570 0.015 0.000 2.202 107 I HA -0.303 3.867 4.170 0.000 0.000 0.242 107 I C 2.469 178.526 176.117 -0.099 0.000 1.091 107 I CA 1.095 62.334 61.300 -0.101 0.000 1.368 107 I CB -0.858 36.967 38.000 -0.292 0.000 1.058 107 I HN -0.169 nan 8.210 nan 0.000 0.410 108 L N -0.117 121.045 121.223 -0.102 0.000 2.046 108 L HA -0.269 4.071 4.340 0.000 0.000 0.208 108 L C 2.770 179.611 176.870 -0.048 0.000 1.077 108 L CA 1.486 56.286 54.840 -0.066 0.000 0.747 108 L CB -0.855 41.176 42.059 -0.046 0.000 0.896 108 L HN 0.341 nan 8.230 nan 0.000 0.432 109 H N -0.262 118.660 119.070 -0.245 0.000 2.389 109 H HA -0.109 4.447 4.556 0.000 0.000 0.299 109 H C 2.377 177.592 175.328 -0.187 0.000 1.081 109 H CA 1.629 57.521 56.048 -0.259 0.000 1.345 109 H CB 0.071 29.511 29.762 -0.537 0.000 1.393 109 H HN 0.130 nan 8.280 nan 0.000 0.520 110 S N -0.076 115.471 115.700 -0.255 0.000 2.368 110 S HA -0.097 4.374 4.470 0.000 0.000 0.225 110 S C 2.347 176.869 174.600 -0.130 0.000 1.030 110 S CA 1.223 59.285 58.200 -0.230 0.000 0.999 110 S CB -0.287 62.853 63.200 -0.100 0.000 0.844 110 S HN 0.358 nan 8.310 nan 0.000 0.459 111 L N 1.334 122.522 121.223 -0.059 0.000 2.083 111 L HA -0.131 4.209 4.340 0.000 0.000 0.209 111 L C 2.731 179.581 176.870 -0.033 0.000 1.083 111 L CA 1.409 56.255 54.840 0.009 0.000 0.752 111 L CB -0.506 41.578 42.059 0.043 0.000 0.899 111 L HN 0.424 nan 8.230 nan 0.000 0.433 112 E N 0.818 120.978 120.200 -0.067 0.000 2.077 112 E HA -0.225 4.125 4.350 0.000 0.000 0.193 112 E C 2.347 178.894 176.600 -0.088 0.000 0.989 112 E CA 1.105 57.473 56.400 -0.053 0.000 0.800 112 E CB -0.068 29.633 29.700 0.002 0.000 0.746 112 E HN 0.470 nan 8.360 nan 0.000 0.452 113 L N 0.599 121.706 121.223 -0.192 0.000 2.083 113 L HA -0.162 4.178 4.340 0.000 0.000 0.209 113 L C 2.420 179.247 176.870 -0.070 0.000 1.083 113 L CA 0.822 55.563 54.840 -0.165 0.000 0.752 113 L CB -0.203 41.685 42.059 -0.285 0.000 0.899 113 L HN 0.255 nan 8.230 nan 0.000 0.433 114 L N -0.720 120.468 121.223 -0.059 0.000 2.610 114 L HA -0.044 4.296 4.340 0.000 0.000 0.232 114 L C 0.408 177.252 176.870 -0.044 0.000 1.149 114 L CA 0.026 54.853 54.840 -0.022 0.000 0.872 114 L CB -0.403 41.668 42.059 0.020 0.000 0.992 114 L HN 0.260 nan 8.230 nan 0.000 0.447 115 D N 1.151 121.523 120.400 -0.048 0.000 2.723 115 D HA -0.176 4.464 4.640 0.000 0.000 0.236 115 D C -0.097 176.146 176.300 -0.095 0.000 1.138 115 D CA 0.635 54.601 54.000 -0.057 0.000 0.676 115 D CB -0.357 40.415 40.800 -0.047 0.000 1.069 115 D HN 0.285 nan 8.370 nan 0.000 0.430 116 E N 1.067 121.210 120.200 -0.095 0.000 2.081 116 E HA 0.313 4.663 4.350 0.000 0.000 0.276 116 E C -1.943 174.617 176.600 -0.065 0.000 0.950 116 E CA -1.594 54.712 56.400 -0.156 0.000 0.776 116 E CB 1.161 30.767 29.700 -0.157 0.000 1.094 116 E HN 0.302 nan 8.360 nan 0.000 0.402 117 P HA 0.123 nan 4.420 nan 0.000 0.269 117 P C -0.168 177.131 177.300 -0.001 0.000 1.215 117 P CA -0.298 62.780 63.100 -0.036 0.000 0.780 117 P CB 0.889 32.562 31.700 -0.045 0.000 0.898 118 I N 3.239 123.805 120.570 -0.008 0.000 2.304 118 I HA 0.265 4.435 4.170 0.000 0.000 0.291 118 I C -1.898 174.212 176.117 -0.011 0.000 1.018 118 I CA -2.971 58.327 61.300 -0.004 0.000 1.260 118 I CB -0.293 37.693 38.000 -0.024 0.000 1.390 118 I HN 0.184 nan 8.210 nan 0.000 0.475 119 P HA 0.046 nan 4.420 nan 0.000 0.267 119 P C 0.876 178.164 177.300 -0.021 0.000 1.200 119 P CA -0.268 62.829 63.100 -0.006 0.000 0.772 119 P CB 0.789 32.492 31.700 0.005 0.000 0.855 120 Q N 2.044 121.829 119.800 -0.025 0.000 2.112 120 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 120 Q C 1.667 177.648 176.000 -0.031 0.000 0.987 120 Q CA 1.777 57.560 55.803 -0.033 0.000 0.858 120 Q CB -0.296 28.423 28.738 -0.032 0.000 0.905 120 Q HN 0.413 nan 8.270 nan 0.000 0.420 121 I N -0.053 120.503 120.570 -0.024 0.000 2.163 121 I HA -0.235 3.935 4.170 0.000 0.000 0.243 121 I C 2.477 178.577 176.117 -0.027 0.000 1.085 121 I CA 0.824 62.110 61.300 -0.023 0.000 1.347 121 I CB -1.460 36.529 38.000 -0.018 0.000 1.044 121 I HN 0.004 nan 8.210 nan 0.000 0.408 122 V N 1.311 121.207 119.914 -0.030 0.000 2.343 122 V HA -0.236 3.884 4.120 0.000 0.000 0.247 122 V C 2.826 178.895 176.094 -0.041 0.000 1.051 122 V CA 1.693 63.970 62.300 -0.039 0.000 1.036 122 V CB -1.190 30.610 31.823 -0.038 0.000 0.654 122 V HN 0.451 nan 8.190 nan 0.000 0.451 123 A N -0.192 122.602 122.820 -0.042 0.000 1.902 123 A HA -0.238 4.082 4.320 0.000 0.000 0.217 123 A C 2.410 179.966 177.584 -0.047 0.000 1.181 123 A CA 2.600 54.606 52.037 -0.052 0.000 0.623 123 A CB -1.009 17.953 19.000 -0.064 0.000 0.818 123 A HN 0.497 nan 8.150 nan 0.000 0.443 124 T N 0.150 114.680 114.554 -0.040 0.000 2.777 124 T HA -0.114 4.236 4.350 0.000 0.000 0.266 124 T C 1.512 176.205 174.700 -0.011 0.000 1.040 124 T CA 1.510 63.592 62.100 -0.030 0.000 1.141 124 T CB -0.414 68.438 68.868 -0.027 0.000 0.868 124 T HN 0.463 nan 8.240 nan 0.000 0.444 125 D N 0.820 121.214 120.400 -0.011 0.000 2.117 125 D HA -0.056 4.584 4.640 0.000 0.000 0.197 125 D C 2.258 178.581 176.300 0.038 0.000 0.987 125 D CA 0.628 54.631 54.000 0.006 0.000 0.829 125 D CB -0.548 40.240 40.800 -0.019 0.000 0.961 125 D HN 0.197 nan 8.370 nan 0.000 0.460 126 V N 0.647 120.570 119.914 0.015 0.000 2.295 126 V HA -0.276 3.844 4.120 0.000 0.000 0.246 126 V C 2.728 178.862 176.094 0.067 0.000 1.049 126 V CA 1.291 63.619 62.300 0.048 0.000 1.024 126 V CB -0.559 31.259 31.823 -0.009 0.000 0.648 126 V HN 0.291 nan 8.190 nan 0.000 0.447 127 C N -0.502 118.807 119.300 0.014 0.000 2.413 127 C HA -0.228 4.232 4.460 0.000 0.000 0.276 127 C C 2.877 177.885 174.990 0.030 0.000 1.236 127 C CA 1.276 60.296 59.018 0.003 0.000 1.735 127 C CB -1.127 26.599 27.740 -0.024 0.000 2.031 127 C HN 0.608 nan 8.230 nan 0.000 0.474 128 Q N -0.744 119.082 119.800 0.044 0.000 2.084 128 Q HA -0.214 4.127 4.340 0.000 0.000 0.202 128 Q C 2.048 178.096 176.000 0.079 0.000 0.978 128 Q CA 1.765 57.598 55.803 0.051 0.000 0.844 128 Q CB -0.390 28.378 28.738 0.051 0.000 0.898 128 Q HN 0.764 nan 8.270 nan 0.000 0.426 129 F N 1.244 121.184 119.950 -0.017 0.000 2.102 129 F HA -0.172 4.355 4.527 0.000 0.000 0.298 129 F C 1.722 177.528 175.800 0.009 0.000 1.105 129 F CA 1.274 59.264 58.000 -0.015 0.000 1.239 129 F CB -0.234 38.743 39.000 -0.038 0.000 0.991 129 F HN -0.041 nan 8.300 nan 0.000 0.474 130 L N 0.080 121.203 121.223 -0.167 0.000 2.131 130 L HA -0.194 4.146 4.340 0.000 0.000 0.210 130 L C 2.458 179.327 176.870 -0.001 0.000 1.092 130 L CA 1.725 56.446 54.840 -0.198 0.000 0.759 130 L CB -0.819 41.162 42.059 -0.129 0.000 0.903 130 L HN 0.276 nan 8.230 nan 0.000 0.435 131 E N 0.818 121.016 120.200 -0.003 0.000 2.077 131 E HA -0.207 4.143 4.350 0.000 0.000 0.193 131 E C 2.315 178.867 176.600 -0.080 0.000 0.989 131 E CA 0.940 57.342 56.400 0.003 0.000 0.800 131 E CB -0.012 29.689 29.700 0.001 0.000 0.746 131 E HN 0.468 nan 8.360 nan 0.000 0.452 132 L N 0.142 121.288 121.223 -0.128 0.000 2.201 132 L HA -0.170 4.170 4.340 0.000 0.000 0.212 132 L C 2.335 179.086 176.870 -0.199 0.000 1.105 132 L CA 0.525 55.278 54.840 -0.145 0.000 0.775 132 L CB -0.174 41.818 42.059 -0.111 0.000 0.913 132 L HN 0.392 nan 8.230 nan 0.000 0.440 133 C N -1.087 118.046 119.300 -0.277 0.000 2.514 133 C HA -0.019 4.441 4.460 0.000 0.000 0.271 133 C C 1.521 176.440 174.990 -0.118 0.000 1.399 133 C CA -0.450 58.444 59.018 -0.206 0.000 1.765 133 C CB -0.797 26.779 27.740 -0.272 0.000 1.893 133 C HN 0.405 nan 8.230 nan 0.000 0.531 134 Q N 1.664 121.341 119.800 -0.206 0.000 2.313 134 Q HA 0.171 4.511 4.340 0.000 0.000 0.266 134 Q C 0.209 175.982 176.000 -0.379 0.000 0.989 134 Q CA 0.175 55.628 55.803 -0.583 0.000 0.890 134 Q CB 0.619 28.882 28.738 -0.792 0.000 1.200 134 Q HN 0.451 nan 8.270 nan 0.000 0.396 135 S N 4.211 119.674 115.700 -0.394 0.000 2.584 135 S HA 0.306 4.776 4.470 0.000 0.000 0.273 135 S C -1.600 172.861 174.600 -0.233 0.000 1.311 135 S CA -1.526 56.524 58.200 -0.251 0.000 1.034 135 S CB 0.807 63.868 63.200 -0.233 0.000 0.939 135 S HN 0.642 nan 8.310 nan 0.000 0.513 136 P HA -0.100 nan 4.420 nan 0.000 0.226 136 P C 0.697 177.932 177.300 -0.108 0.000 1.153 136 P CA 0.908 63.940 63.100 -0.114 0.000 0.777 136 P CB -0.122 31.536 31.700 -0.069 0.000 0.794 137 E N -0.028 120.103 120.200 -0.115 0.000 2.489 137 E HA 0.277 4.628 4.350 0.000 0.000 0.193 137 E C 0.653 177.188 176.600 -0.108 0.000 1.057 137 E CA 0.182 56.534 56.400 -0.080 0.000 0.866 137 E CB -0.355 29.319 29.700 -0.043 0.000 0.916 137 E HN 0.111 nan 8.360 nan 0.000 0.500 138 G N -0.474 108.191 108.800 -0.226 0.000 2.650 138 G HA2 0.296 4.256 3.960 0.000 0.000 0.686 138 G HA3 0.296 4.256 3.960 0.000 0.000 0.686 138 G C 0.280 174.841 174.900 -0.565 0.000 1.205 138 G CA -0.599 44.342 45.100 -0.264 0.000 0.781 138 G HN 1.015 nan 8.290 nan 0.000 0.648 139 G N -0.914 107.602 108.800 -0.473 0.000 2.796 139 G HA2 0.361 4.322 3.960 0.000 0.000 0.571 139 G HA3 0.361 4.322 3.960 0.000 0.000 0.571 139 G C -0.501 174.070 174.900 -0.548 0.000 1.370 139 G CA 0.139 44.968 45.100 -0.452 0.000 0.856 139 G HN 1.777 nan 8.290 nan 0.000 0.538 140 F N 0.359 120.185 119.950 -0.208 0.000 2.546 140 F HA 0.706 5.233 4.527 0.000 0.000 0.320 140 F C 1.079 176.812 175.800 -0.112 0.000 1.076 140 F CA 0.225 58.124 58.000 -0.168 0.000 0.928 140 F CB 2.174 41.072 39.000 -0.170 0.000 1.189 140 F HN 0.821 nan 8.300 nan 0.000 0.465 141 G N 0.027 108.865 108.800 0.062 0.000 2.531 141 G HA2 0.439 4.399 3.960 0.000 0.000 0.313 141 G HA3 0.439 4.399 3.960 0.000 0.000 0.313 141 G C 0.839 175.760 174.900 0.035 0.000 1.238 141 G CA -0.418 44.713 45.100 0.052 0.000 0.994 141 G HN 0.900 nan 8.290 nan 0.000 0.493 142 G N -1.709 107.108 108.800 0.029 0.000 2.679 142 G HA2 0.437 4.397 3.960 0.000 0.000 0.212 142 G HA3 0.437 4.397 3.960 0.000 0.000 0.212 142 G C 0.690 175.630 174.900 0.067 0.000 1.137 142 G CA 1.038 46.164 45.100 0.044 0.000 0.787 142 G HN 1.255 nan 8.290 nan 0.000 0.534 143 G N -1.458 107.358 108.800 0.027 0.000 2.451 143 G HA2 0.477 4.437 3.960 0.000 0.000 0.292 143 G HA3 0.477 4.437 3.960 0.000 0.000 0.292 143 G C -3.436 171.447 174.900 -0.029 0.000 1.427 143 G CA -0.988 44.144 45.100 0.053 0.000 0.792 143 G HN -0.109 nan 8.290 nan 0.000 0.498 144 P HA 0.319 nan 4.420 nan 0.000 0.263 144 P C 1.017 178.297 177.300 -0.034 0.000 1.195 144 P CA 2.005 65.078 63.100 -0.046 0.000 0.762 144 P CB 0.961 32.665 31.700 0.007 0.000 0.799 145 G N 1.924 110.694 108.800 -0.051 0.000 2.199 145 G HA2 -0.250 3.711 3.960 0.000 0.000 0.254 145 G HA3 -0.250 3.711 3.960 0.000 0.000 0.254 145 G C 0.130 174.980 174.900 -0.084 0.000 0.982 145 G CA -0.312 44.757 45.100 -0.051 0.000 0.632 145 G HN 0.557 nan 8.290 nan 0.000 0.529 146 Q N -0.412 119.341 119.800 -0.078 0.000 2.306 146 Q HA 0.519 4.859 4.340 0.000 0.000 0.241 146 Q C 0.105 176.093 176.000 -0.020 0.000 0.948 146 Q CA -0.624 55.109 55.803 -0.116 0.000 0.886 146 Q CB 0.857 29.558 28.738 -0.063 0.000 1.227 146 Q HN 0.502 nan 8.270 nan 0.000 0.457 147 Y N 1.801 122.102 120.300 0.002 0.000 2.550 147 Y HA 0.033 4.583 4.550 0.000 0.000 0.343 147 Y C -1.559 174.344 175.900 0.005 0.000 1.245 147 Y CA -1.793 56.313 58.100 0.010 0.000 1.462 147 Y CB 0.081 38.580 38.460 0.065 0.000 1.340 147 Y HN 0.439 nan 8.280 nan 0.000 0.604 148 P HA 0.021 nan 4.420 nan 0.000 0.274 148 P C -1.100 176.357 177.300 0.263 0.000 1.237 148 P CA 0.376 63.460 63.100 -0.026 0.000 0.793 148 P CB 1.243 32.598 31.700 -0.575 0.000 0.977 149 H N 1.425 120.608 119.070 0.189 0.000 3.038 149 H HA 0.189 4.745 4.556 0.000 0.000 0.362 149 H C 0.695 176.217 175.328 0.324 0.000 1.167 149 H CA -0.541 55.694 56.048 0.312 0.000 1.197 149 H CB 1.542 31.416 29.762 0.186 0.000 1.840 149 H HN 0.200 nan 8.280 nan 0.000 0.540 150 L N 2.822 124.282 121.223 0.395 0.000 2.127 150 L HA -0.173 4.167 4.340 0.000 0.000 0.211 150 L C 2.488 179.608 176.870 0.416 0.000 1.089 150 L CA 1.563 56.615 54.840 0.352 0.000 0.757 150 L CB -0.417 41.749 42.059 0.178 0.000 0.899 150 L HN 0.682 nan 8.230 nan 0.000 0.434 151 A N 0.862 124.090 122.820 0.681 0.000 1.832 151 A HA -0.103 4.217 4.320 0.000 0.000 0.214 151 A C -0.135 177.601 177.584 0.254 0.000 1.200 151 A CA 1.608 54.054 52.037 0.682 0.000 0.610 151 A CB -1.881 17.650 19.000 0.884 0.000 0.842 151 A HN 0.280 nan 8.150 nan 0.000 0.444 152 P HA -0.081 nan 4.420 nan 0.000 0.222 152 P C 1.211 178.369 177.300 -0.236 0.000 1.147 152 P CA 1.546 64.497 63.100 -0.248 0.000 0.790 152 P CB -0.326 31.351 31.700 -0.040 0.000 0.780 153 T N -0.631 113.938 114.554 0.025 0.000 2.737 153 T HA -0.189 4.161 4.350 0.000 0.000 0.265 153 T C 1.701 176.317 174.700 -0.141 0.000 1.038 153 T CA 1.252 63.397 62.100 0.076 0.000 1.144 153 T CB -1.137 67.890 68.868 0.265 0.000 0.866 153 T HN 0.086 nan 8.240 nan 0.000 0.434 154 Y N 2.259 122.423 120.300 -0.227 0.000 2.128 154 Y HA -0.121 4.429 4.550 0.000 0.000 0.284 154 Y C 2.497 178.039 175.900 -0.596 0.000 1.154 154 Y CA 1.186 59.090 58.100 -0.326 0.000 1.149 154 Y CB -0.760 37.579 38.460 -0.202 0.000 0.976 154 Y HN 0.168 nan 8.280 nan 0.000 0.505 155 A N 0.804 123.060 122.820 -0.940 0.000 1.877 155 A HA -0.118 4.202 4.320 0.000 0.000 0.216 155 A C 2.455 179.549 177.584 -0.815 0.000 1.186 155 A CA 2.097 53.415 52.037 -1.199 0.000 0.620 155 A CB -1.609 16.451 19.000 -1.567 0.000 0.822 155 A HN 0.676 nan 8.150 nan 0.000 0.443 156 A N -0.625 121.735 122.820 -0.766 0.000 1.902 156 A HA -0.013 4.307 4.320 0.000 0.000 0.217 156 A C 2.247 179.382 177.584 -0.749 0.000 1.181 156 A CA 1.859 53.394 52.037 -0.836 0.000 0.623 156 A CB -0.964 17.173 19.000 -1.439 0.000 0.818 156 A HN 0.399 nan 8.150 nan 0.000 0.443 157 V N 0.722 120.223 119.914 -0.690 0.000 2.295 157 V HA -0.249 3.871 4.120 0.000 0.000 0.246 157 V C 2.361 178.229 176.094 -0.376 0.000 1.049 157 V CA 2.212 64.249 62.300 -0.439 0.000 1.024 157 V CB -1.023 30.610 31.823 -0.317 0.000 0.648 157 V HN 0.543 nan 8.190 nan 0.000 0.447 158 N N 0.435 118.806 118.700 -0.550 0.000 2.120 158 N HA -0.126 4.614 4.740 0.000 0.000 0.188 158 N C 1.860 177.251 175.510 -0.198 0.000 1.024 158 N CA 1.693 54.468 53.050 -0.458 0.000 0.852 158 N CB -0.578 37.375 38.487 -0.890 0.000 1.003 158 N HN 0.476 nan 8.380 nan 0.000 0.424 159 A N 0.882 123.583 122.820 -0.199 0.000 1.883 159 A HA -0.091 4.229 4.320 0.000 0.000 0.217 159 A C 2.344 179.866 177.584 -0.103 0.000 1.186 159 A CA 1.080 53.066 52.037 -0.085 0.000 0.624 159 A CB -0.852 18.071 19.000 -0.128 0.000 0.822 159 A HN 0.266 nan 8.150 nan 0.000 0.444 160 L N -0.840 120.293 121.223 -0.150 0.000 2.083 160 L HA -0.254 4.087 4.340 0.000 0.000 0.209 160 L C 2.667 179.509 176.870 -0.046 0.000 1.083 160 L CA 1.277 56.057 54.840 -0.099 0.000 0.752 160 L CB -0.657 41.360 42.059 -0.070 0.000 0.899 160 L HN 0.500 nan 8.230 nan 0.000 0.433 161 C N -0.342 118.962 119.300 0.006 0.000 2.450 161 C HA -0.075 4.385 4.460 0.000 0.000 0.279 161 C C 2.709 177.716 174.990 0.029 0.000 1.335 161 C CA 0.167 59.246 59.018 0.100 0.000 1.749 161 C CB -0.573 27.201 27.740 0.056 0.000 1.963 161 C HN 0.426 nan 8.230 nan 0.000 0.501 162 I N 0.816 121.384 120.570 -0.003 0.000 2.226 162 I HA -0.206 3.965 4.170 0.000 0.000 0.245 162 I C 2.307 178.401 176.117 -0.038 0.000 1.100 162 I CA 1.693 62.999 61.300 0.010 0.000 1.374 162 I CB -0.316 37.708 38.000 0.040 0.000 1.057 162 I HN 0.298 nan 8.210 nan 0.000 0.413 163 I N 0.477 120.998 120.570 -0.082 0.000 2.179 163 I HA -0.215 3.955 4.170 0.000 0.000 0.242 163 I C 1.906 177.901 176.117 -0.204 0.000 1.088 163 I CA 1.380 62.602 61.300 -0.129 0.000 1.357 163 I CB -0.828 37.086 38.000 -0.143 0.000 1.051 163 I HN 0.480 nan 8.210 nan 0.000 0.409 164 G N 1.517 110.134 108.800 -0.306 0.000 2.187 164 G HA2 -0.285 3.676 3.960 0.000 0.000 0.261 164 G HA3 -0.285 3.676 3.960 0.000 0.000 0.261 164 G C 0.430 174.861 174.900 -0.782 0.000 1.000 164 G CA 0.626 45.431 45.100 -0.492 0.000 0.718 164 G HN 0.523 nan 8.290 nan 0.000 0.519 165 T N -3.198 110.914 114.554 -0.737 0.000 2.902 165 T HA 0.633 4.983 4.350 0.000 0.000 0.280 165 T C 1.105 175.314 174.700 -0.818 0.000 0.992 165 T CA 0.165 61.918 62.100 -0.578 0.000 1.015 165 T CB 1.781 70.454 68.868 -0.324 0.000 1.044 165 T HN 0.180 nan 8.240 nan 0.000 0.520 166 E N 0.065 119.976 120.200 -0.481 0.000 2.153 166 E HA -0.179 4.171 4.350 0.000 0.000 0.194 166 E C 1.934 178.395 176.600 -0.230 0.000 0.988 166 E CA 1.012 57.197 56.400 -0.359 0.000 0.811 166 E CB 0.008 29.647 29.700 -0.102 0.000 0.746 166 E HN 0.878 nan 8.360 nan 0.000 0.466 167 E N 0.936 121.017 120.200 -0.198 0.000 2.058 167 E HA -0.221 4.129 4.350 0.000 0.000 0.194 167 E C 2.055 178.584 176.600 -0.119 0.000 0.997 167 E CA 1.116 57.447 56.400 -0.114 0.000 0.801 167 E CB -0.042 29.597 29.700 -0.101 0.000 0.746 167 E HN 0.192 nan 8.360 nan 0.000 0.450 168 A N 0.340 123.021 122.820 -0.232 0.000 1.873 168 A HA -0.162 4.158 4.320 0.000 0.000 0.215 168 A C 2.015 179.568 177.584 -0.053 0.000 1.186 168 A CA 1.403 53.328 52.037 -0.187 0.000 0.616 168 A CB -1.079 17.744 19.000 -0.296 0.000 0.823 168 A HN 0.491 nan 8.150 nan 0.000 0.442 169 Y N 0.226 120.450 120.300 -0.128 0.000 2.165 169 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 169 Y C 2.093 178.094 175.900 0.168 0.000 1.155 169 Y CA 0.733 58.805 58.100 -0.048 0.000 1.164 169 Y CB -0.180 37.861 38.460 -0.698 0.000 0.978 169 Y HN 0.279 nan 8.280 nan 0.000 0.513 170 D N 0.289 120.828 120.400 0.232 0.000 2.350 170 D HA -0.107 4.533 4.640 0.000 0.000 0.216 170 D C 1.866 178.272 176.300 0.176 0.000 0.968 170 D CA 0.839 54.976 54.000 0.229 0.000 0.894 170 D CB -0.210 40.684 40.800 0.157 0.000 0.909 170 D HN 0.428 nan 8.370 nan 0.000 0.520 171 I N 0.754 121.416 120.570 0.154 0.000 2.394 171 I HA -0.156 4.014 4.170 0.000 0.000 0.251 171 I C 0.909 177.122 176.117 0.160 0.000 1.136 171 I CA 0.391 61.769 61.300 0.130 0.000 1.425 171 I CB 0.035 38.108 38.000 0.123 0.000 1.079 171 I HN -0.130 nan 8.210 nan 0.000 0.425 172 I N 2.278 122.989 120.570 0.235 0.000 2.587 172 I HA -0.105 4.065 4.170 0.000 0.000 0.284 172 I C 0.598 176.771 176.117 0.094 0.000 1.134 172 I CA 0.211 61.635 61.300 0.206 0.000 1.410 172 I CB -0.170 37.956 38.000 0.209 0.000 1.392 172 I HN 0.161 nan 8.210 nan 0.000 0.545 173 N N 7.164 125.856 118.700 -0.015 0.000 2.482 173 N HA 0.125 4.866 4.740 0.000 0.000 0.242 173 N C 0.938 176.429 175.510 -0.032 0.000 1.100 173 N CA -0.012 53.018 53.050 -0.034 0.000 0.946 173 N CB 0.514 38.942 38.487 -0.097 0.000 1.227 173 N HN 0.472 nan 8.380 nan 0.000 0.508 174 R N 2.043 122.543 120.500 0.000 0.000 2.092 174 R HA -0.111 4.229 4.340 0.000 0.000 0.231 174 R C 0.992 177.277 176.300 -0.024 0.000 1.119 174 R CA 1.390 57.478 56.100 -0.020 0.000 0.970 174 R CB 0.198 30.494 30.300 -0.006 0.000 0.864 174 R HN 0.484 nan 8.270 nan 0.000 0.440 175 E N 0.610 120.798 120.200 -0.021 0.000 2.051 175 E HA -0.146 4.204 4.350 0.000 0.000 0.192 175 E C 1.827 178.401 176.600 -0.045 0.000 0.991 175 E CA 1.155 57.534 56.400 -0.034 0.000 0.799 175 E CB 0.087 29.770 29.700 -0.028 0.000 0.748 175 E HN 0.046 nan 8.360 nan 0.000 0.449 176 K N 0.183 120.557 120.400 -0.043 0.000 2.155 176 K HA -0.036 4.284 4.320 0.000 0.000 0.203 176 K C 2.094 178.693 176.600 -0.001 0.000 1.052 176 K CA 0.390 56.654 56.287 -0.039 0.000 0.948 176 K CB -0.450 32.007 32.500 -0.072 0.000 0.728 176 K HN 0.122 nan 8.250 nan 0.000 0.448 177 L N 1.293 122.510 121.223 -0.010 0.000 2.017 177 L HA -0.135 4.205 4.340 0.000 0.000 0.208 177 L C 2.106 179.032 176.870 0.093 0.000 1.073 177 L CA 1.369 56.241 54.840 0.054 0.000 0.745 177 L CB -0.761 41.313 42.059 0.024 0.000 0.894 177 L HN 0.057 nan 8.230 nan 0.000 0.432 178 L N -0.515 120.719 121.223 0.019 0.000 2.046 178 L HA -0.221 4.119 4.340 0.000 0.000 0.208 178 L C 2.501 179.355 176.870 -0.026 0.000 1.077 178 L CA 1.778 56.615 54.840 -0.006 0.000 0.747 178 L CB -0.793 41.216 42.059 -0.083 0.000 0.896 178 L HN 0.452 nan 8.230 nan 0.000 0.432 179 Q N -1.987 117.775 119.800 -0.064 0.000 2.084 179 Q HA -0.272 4.069 4.340 0.000 0.000 0.202 179 Q C 2.157 178.206 176.000 0.082 0.000 0.978 179 Q CA 2.021 57.786 55.803 -0.063 0.000 0.844 179 Q CB -0.463 28.244 28.738 -0.053 0.000 0.898 179 Q HN 0.601 nan 8.270 nan 0.000 0.426 180 Y N 1.395 121.694 120.300 -0.003 0.000 2.145 180 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 180 Y C 1.792 177.741 175.900 0.081 0.000 1.145 180 Y CA 1.354 59.467 58.100 0.023 0.000 1.148 180 Y CB -0.318 38.142 38.460 0.002 0.000 0.981 180 Y HN 0.018 nan 8.280 nan 0.000 0.507 181 L N -1.451 119.773 121.223 0.002 0.000 2.042 181 L HA -0.293 4.047 4.340 0.000 0.000 0.210 181 L C 2.251 179.179 176.870 0.095 0.000 1.076 181 L CA 1.585 56.425 54.840 0.000 0.000 0.749 181 L CB -0.953 41.150 42.059 0.073 0.000 0.893 181 L HN 0.214 nan 8.230 nan 0.000 0.432 182 Y N 0.579 120.820 120.300 -0.098 0.000 2.207 182 Y HA -0.261 4.290 4.550 0.000 0.000 0.287 182 Y C 3.105 178.906 175.900 -0.164 0.000 1.156 182 Y CA 1.402 59.422 58.100 -0.133 0.000 1.182 182 Y CB -0.761 37.631 38.460 -0.112 0.000 0.979 182 Y HN 0.303 nan 8.280 nan 0.000 0.521 183 S N -0.821 114.877 115.700 -0.004 0.000 2.507 183 S HA -0.085 4.385 4.470 0.000 0.000 0.235 183 S C 1.511 176.009 174.600 -0.171 0.000 0.988 183 S CA 1.004 59.154 58.200 -0.082 0.000 0.944 183 S CB -0.630 62.541 63.200 -0.048 0.000 0.762 183 S HN 0.485 nan 8.310 nan 0.000 0.526 184 L N -0.549 120.546 121.223 -0.213 0.000 2.638 184 L HA 0.390 4.730 4.340 0.000 0.000 0.232 184 L C 0.720 177.422 176.870 -0.280 0.000 1.099 184 L CA -0.324 54.395 54.840 -0.202 0.000 0.883 184 L CB -0.032 41.927 42.059 -0.166 0.000 1.136 184 L HN 0.077 nan 8.230 nan 0.000 0.492 185 K N 1.965 122.099 120.400 -0.444 0.000 2.416 185 K HA 0.081 4.401 4.320 0.000 0.000 0.283 185 K C -0.187 176.051 176.600 -0.604 0.000 1.037 185 K CA 0.317 56.073 56.287 -0.884 0.000 0.995 185 K CB 0.442 32.410 32.500 -0.888 0.000 0.938 185 K HN -0.078 nan 8.250 nan 0.000 0.475 186 Q N 5.338 124.760 119.800 -0.631 0.000 2.214 186 Q HA 0.232 4.572 4.340 0.000 0.000 0.251 186 Q C -1.720 174.055 176.000 -0.376 0.000 0.936 186 Q CA -2.110 53.439 55.803 -0.424 0.000 0.894 186 Q CB 0.991 29.489 28.738 -0.400 0.000 1.252 186 Q HN 0.512 nan 8.270 nan 0.000 0.448 187 P HA -0.158 nan 4.420 nan 0.000 0.222 187 P C 0.378 177.578 177.300 -0.166 0.000 1.147 187 P CA 1.213 64.193 63.100 -0.201 0.000 0.790 187 P CB 0.284 31.898 31.700 -0.143 0.000 0.780 188 D N -1.165 119.135 120.400 -0.167 0.000 2.349 188 D HA 0.067 4.707 4.640 0.000 0.000 0.224 188 D C 1.483 177.729 176.300 -0.091 0.000 1.029 188 D CA 0.661 54.612 54.000 -0.081 0.000 0.879 188 D CB -0.757 40.040 40.800 -0.004 0.000 0.906 188 D HN 0.286 nan 8.370 nan 0.000 0.528 189 G N -0.118 108.543 108.800 -0.232 0.000 2.213 189 G HA2 -0.274 3.686 3.960 0.000 0.000 0.236 189 G HA3 -0.274 3.686 3.960 0.000 0.000 0.236 189 G C 0.483 175.143 174.900 -0.400 0.000 0.991 189 G CA 0.339 45.316 45.100 -0.206 0.000 0.629 189 G HN 0.807 nan 8.290 nan 0.000 0.517 190 S N -0.321 114.915 115.700 -0.773 0.000 2.655 190 S HA 0.819 5.289 4.470 0.000 0.000 0.265 190 S C -0.352 173.827 174.600 -0.701 0.000 1.240 190 S CA -0.420 57.158 58.200 -1.036 0.000 0.986 190 S CB 1.514 63.700 63.200 -1.689 0.000 0.985 190 S HN 0.551 nan 8.310 nan 0.000 0.562 191 F N -0.439 119.221 119.950 -0.485 0.000 2.565 191 F HA 0.514 5.041 4.527 0.000 0.000 0.313 191 F C -0.037 175.595 175.800 -0.280 0.000 1.091 191 F CA -1.022 56.791 58.000 -0.312 0.000 0.915 191 F CB 1.534 40.414 39.000 -0.201 0.000 1.208 191 F HN 0.449 nan 8.300 nan 0.000 0.453 192 L N 3.518 124.693 121.223 -0.079 0.000 2.436 192 L HA 0.161 4.501 4.340 0.000 0.000 0.265 192 L C 1.271 178.095 176.870 -0.076 0.000 1.168 192 L CA -0.615 54.151 54.840 -0.123 0.000 0.815 192 L CB 0.599 42.550 42.059 -0.182 0.000 1.109 192 L HN 0.680 nan 8.230 nan 0.000 0.462 193 M N 0.557 120.098 119.600 -0.098 0.000 2.319 193 M HA -0.009 4.471 4.480 0.000 0.000 0.265 193 M C 0.393 176.591 176.300 -0.170 0.000 1.068 193 M CA 1.223 56.451 55.300 -0.120 0.000 1.118 193 M CB -0.990 31.552 32.600 -0.098 0.000 1.395 193 M HN 0.781 nan 8.290 nan 0.000 0.435 194 H N -4.898 114.063 119.070 -0.183 0.000 2.950 194 H HA 0.467 5.023 4.556 0.000 0.000 0.307 194 H C -0.914 174.411 175.328 -0.004 0.000 1.403 194 H CA -1.233 54.795 56.048 -0.033 0.000 1.145 194 H CB 0.544 30.323 29.762 0.028 0.000 1.844 194 H HN -0.253 nan 8.280 nan 0.000 0.515 195 V N 1.635 121.597 119.914 0.079 0.000 2.557 195 V HA 0.245 4.365 4.120 0.000 0.000 0.301 195 V C 1.576 177.592 176.094 -0.131 0.000 1.026 195 V CA 1.629 63.906 62.300 -0.040 0.000 1.137 195 V CB 0.127 31.954 31.823 0.007 0.000 0.917 195 V HN 1.382 nan 8.190 nan 0.000 0.484 196 G N 3.542 112.237 108.800 -0.175 0.000 2.179 196 G HA2 -0.155 3.805 3.960 0.000 0.000 0.257 196 G HA3 -0.155 3.805 3.960 0.000 0.000 0.257 196 G C 0.467 175.190 174.900 -0.295 0.000 1.010 196 G CA 0.189 45.196 45.100 -0.154 0.000 0.736 196 G HN 1.348 nan 8.290 nan 0.000 0.513 197 G N -0.814 107.633 108.800 -0.589 0.000 2.613 197 G HA2 0.695 4.655 3.960 0.000 0.000 0.303 197 G HA3 0.695 4.655 3.960 0.000 0.000 0.303 197 G C 0.155 174.895 174.900 -0.266 0.000 1.312 197 G CA 0.142 44.812 45.100 -0.717 0.000 1.036 197 G HN 0.642 nan 8.290 nan 0.000 0.513 198 E N -0.913 119.219 120.200 -0.112 0.000 2.349 198 E HA 0.365 4.715 4.350 0.000 0.000 0.262 198 E C -0.507 176.074 176.600 -0.033 0.000 1.088 198 E CA -0.622 55.762 56.400 -0.027 0.000 0.899 198 E CB 1.635 31.369 29.700 0.056 0.000 1.044 198 E HN 0.652 nan 8.360 nan 0.000 0.420 199 V N 0.406 120.305 119.914 -0.025 0.000 2.555 199 V HA 0.722 4.842 4.120 0.000 0.000 0.302 199 V C -1.472 174.648 176.094 0.043 0.000 1.038 199 V CA -0.134 62.142 62.300 -0.040 0.000 0.887 199 V CB 1.273 33.004 31.823 -0.152 0.000 0.991 199 V HN 0.977 nan 8.190 nan 0.000 0.434 200 D N 2.674 123.124 120.400 0.083 0.000 2.671 200 D HA 0.338 4.978 4.640 0.000 0.000 0.273 200 D C 0.391 176.848 176.300 0.262 0.000 1.264 200 D CA -0.142 53.952 54.000 0.157 0.000 0.788 200 D CB 1.485 42.276 40.800 -0.015 0.000 1.324 200 D HN 0.314 nan 8.370 nan 0.000 0.424 201 V N 0.200 120.284 119.914 0.283 0.000 2.688 201 V HA -0.227 3.893 4.120 0.000 0.000 0.256 201 V C 2.307 178.596 176.094 0.324 0.000 1.084 201 V CA 1.829 64.354 62.300 0.376 0.000 1.103 201 V CB -1.061 30.896 31.823 0.224 0.000 0.688 201 V HN 0.519 nan 8.190 nan 0.000 0.480 202 R N 1.209 121.911 120.500 0.337 0.000 2.091 202 R HA -0.177 4.163 4.340 0.000 0.000 0.238 202 R C 2.690 179.137 176.300 0.245 0.000 1.136 202 R CA 1.805 58.092 56.100 0.311 0.000 0.959 202 R CB -0.628 29.854 30.300 0.302 0.000 0.856 202 R HN 0.748 nan 8.270 nan 0.000 0.437 203 S N 0.733 116.543 115.700 0.183 0.000 2.368 203 S HA -0.132 4.339 4.470 0.000 0.000 0.225 203 S C 2.261 176.860 174.600 -0.002 0.000 1.030 203 S CA 1.032 59.287 58.200 0.091 0.000 0.999 203 S CB -0.267 62.980 63.200 0.078 0.000 0.844 203 S HN 0.380 nan 8.310 nan 0.000 0.459 204 A N 0.778 123.656 122.820 0.096 0.000 1.902 204 A HA -0.025 4.295 4.320 0.000 0.000 0.217 204 A C 2.108 179.708 177.584 0.027 0.000 1.181 204 A CA 1.587 53.673 52.037 0.082 0.000 0.623 204 A CB -1.226 17.930 19.000 0.260 0.000 0.818 204 A HN 0.701 nan 8.150 nan 0.000 0.443 205 Y N 0.077 120.375 120.300 -0.003 0.000 2.163 205 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 205 Y C 2.539 178.428 175.900 -0.018 0.000 1.136 205 Y CA 1.262 59.346 58.100 -0.027 0.000 1.147 205 Y CB -0.904 37.564 38.460 0.012 0.000 0.987 205 Y HN 0.363 nan 8.280 nan 0.000 0.509 206 C N 0.607 119.797 119.300 -0.183 0.000 2.413 206 C HA -0.165 4.295 4.460 0.000 0.000 0.276 206 C C 3.083 177.997 174.990 -0.127 0.000 1.236 206 C CA 1.358 60.268 59.018 -0.179 0.000 1.735 206 C CB -1.780 25.979 27.740 0.033 0.000 2.031 206 C HN 0.744 nan 8.230 nan 0.000 0.474 207 A N 0.471 123.174 122.820 -0.195 0.000 1.858 207 A HA 0.054 4.374 4.320 0.000 0.000 0.216 207 A C 2.383 179.971 177.584 0.007 0.000 1.190 207 A CA 2.192 54.097 52.037 -0.220 0.000 0.617 207 A CB -1.055 17.472 19.000 -0.788 0.000 0.827 207 A HN 0.585 nan 8.150 nan 0.000 0.443 208 A N -0.897 121.862 122.820 -0.101 0.000 1.933 208 A HA -0.102 4.218 4.320 0.000 0.000 0.218 208 A C 2.481 180.009 177.584 -0.094 0.000 1.175 208 A CA 2.237 54.126 52.037 -0.248 0.000 0.628 208 A CB -0.957 17.755 19.000 -0.480 0.000 0.814 208 A HN 0.570 nan 8.150 nan 0.000 0.444 209 S N -0.356 115.255 115.700 -0.149 0.000 2.343 209 S HA -0.165 4.306 4.470 0.000 0.000 0.219 209 S C 2.114 176.774 174.600 0.099 0.000 1.033 209 S CA 2.343 60.554 58.200 0.018 0.000 1.014 209 S CB -0.867 62.270 63.200 -0.105 0.000 0.915 209 S HN 1.026 nan 8.310 nan 0.000 0.435 210 V N 0.667 120.595 119.914 0.024 0.000 2.407 210 V HA 0.082 4.202 4.120 0.000 0.000 0.248 210 V C 2.513 178.592 176.094 -0.024 0.000 1.055 210 V CA 1.750 64.037 62.300 -0.022 0.000 1.049 210 V CB -1.703 30.116 31.823 -0.007 0.000 0.662 210 V HN 0.524 nan 8.190 nan 0.000 0.455 211 A N 1.681 124.530 122.820 0.049 0.000 1.898 211 A HA -0.135 4.185 4.320 0.000 0.000 0.216 211 A C 2.597 180.221 177.584 0.066 0.000 1.181 211 A CA 2.615 54.703 52.037 0.085 0.000 0.620 211 A CB -1.026 18.124 19.000 0.250 0.000 0.819 211 A HN 0.925 nan 8.150 nan 0.000 0.442 212 S N 0.093 115.848 115.700 0.091 0.000 2.357 212 S HA -0.059 4.411 4.470 0.000 0.000 0.221 212 S C 1.916 176.524 174.600 0.014 0.000 1.031 212 S CA 1.314 59.569 58.200 0.091 0.000 0.982 212 S CB -0.808 62.489 63.200 0.161 0.000 0.853 212 S HN 0.412 nan 8.310 nan 0.000 0.458 213 L N 1.975 123.165 121.223 -0.055 0.000 2.042 213 L HA -0.083 4.258 4.340 0.000 0.000 0.210 213 L C 2.903 179.659 176.870 -0.190 0.000 1.076 213 L CA 1.693 56.428 54.840 -0.174 0.000 0.749 213 L CB -1.070 40.833 42.059 -0.260 0.000 0.893 213 L HN 0.627 nan 8.230 nan 0.000 0.432 214 T N -4.271 110.071 114.554 -0.355 0.000 3.144 214 T HA 0.049 4.399 4.350 0.000 0.000 0.249 214 T C 0.844 175.359 174.700 -0.309 0.000 1.089 214 T CA 0.147 61.791 62.100 -0.761 0.000 0.989 214 T CB -0.314 68.082 68.868 -0.786 0.000 0.992 214 T HN 0.342 nan 8.240 nan 0.000 0.540 215 N N 1.328 119.979 118.700 -0.082 0.000 2.727 215 N HA -0.171 4.569 4.740 0.000 0.000 0.251 215 N C 0.228 175.750 175.510 0.020 0.000 1.040 215 N CA 0.926 53.988 53.050 0.021 0.000 0.712 215 N CB -1.909 36.627 38.487 0.081 0.000 0.912 215 N HN 0.922 nan 8.380 nan 0.000 0.545 216 I N -2.697 117.880 120.570 0.011 0.000 3.833 216 I HA 0.373 4.544 4.170 0.000 0.000 0.328 216 I C 0.051 176.196 176.117 0.047 0.000 1.554 216 I CA -0.637 60.675 61.300 0.021 0.000 1.116 216 I CB 0.083 38.075 38.000 -0.012 0.000 1.182 216 I HN 0.011 nan 8.210 nan 0.000 0.459 217 I N 3.503 124.124 120.570 0.085 0.000 2.471 217 I HA 0.145 4.315 4.170 0.000 0.000 0.286 217 I C 0.817 176.943 176.117 0.015 0.000 1.079 217 I CA 0.188 61.556 61.300 0.114 0.000 1.398 217 I CB 1.201 39.328 38.000 0.212 0.000 1.403 217 I HN 0.360 nan 8.210 nan 0.000 0.530 218 T N 2.861 117.361 114.554 -0.089 0.000 2.952 218 T HA 0.398 4.748 4.350 0.000 0.000 0.286 218 T C -1.936 172.644 174.700 -0.199 0.000 1.024 218 T CA -1.927 59.966 62.100 -0.344 0.000 1.029 218 T CB 1.802 70.379 68.868 -0.486 0.000 1.094 218 T HN 0.256 nan 8.240 nan 0.000 0.515 219 P HA -0.078 nan 4.420 nan 0.000 0.216 219 P C 1.159 178.417 177.300 -0.069 0.000 1.150 219 P CA 1.034 64.096 63.100 -0.065 0.000 0.837 219 P CB 0.044 31.737 31.700 -0.013 0.000 0.786 220 D N -0.866 119.450 120.400 -0.141 0.000 2.305 220 D HA -0.066 4.574 4.640 0.000 0.000 0.206 220 D C 1.913 178.043 176.300 -0.284 0.000 0.974 220 D CA 0.289 54.188 54.000 -0.168 0.000 0.871 220 D CB -1.004 39.696 40.800 -0.167 0.000 0.947 220 D HN 0.032 nan 8.370 nan 0.000 0.516 221 L N 0.351 121.364 121.223 -0.351 0.000 2.034 221 L HA -0.167 4.173 4.340 0.000 0.000 0.217 221 L C 1.394 177.912 176.870 -0.587 0.000 1.077 221 L CA 1.758 56.252 54.840 -0.578 0.000 0.769 221 L CB -0.792 40.931 42.059 -0.561 0.000 0.890 221 L HN -0.027 nan 8.230 nan 0.000 0.435 222 F N -0.588 119.360 119.950 -0.003 0.000 2.668 222 F HA 0.245 4.772 4.527 0.000 0.000 0.297 222 F C 0.938 176.736 175.800 -0.004 0.000 1.124 222 F CA -0.512 57.522 58.000 0.056 0.000 1.353 222 F CB -0.201 38.851 39.000 0.087 0.000 0.992 222 F HN 0.053 nan 8.300 nan 0.000 0.524 223 E N 0.927 121.138 120.200 0.018 0.000 2.415 223 E HA 0.170 4.520 4.350 0.000 0.000 0.260 223 E C 1.262 177.859 176.600 -0.005 0.000 1.016 223 E CA 1.005 57.404 56.400 -0.002 0.000 0.924 223 E CB 0.510 30.169 29.700 -0.068 0.000 0.961 223 E HN 0.621 nan 8.360 nan 0.000 0.459 224 G N 3.706 112.531 108.800 0.040 0.000 2.225 224 G HA2 -0.350 3.611 3.960 0.000 0.000 0.254 224 G HA3 -0.350 3.611 3.960 0.000 0.000 0.254 224 G C 1.099 176.071 174.900 0.121 0.000 0.988 224 G CA 0.656 45.787 45.100 0.052 0.000 0.625 224 G HN 0.609 nan 8.290 nan 0.000 0.527 225 T N 1.160 115.812 114.554 0.163 0.000 2.708 225 T HA 0.132 4.483 4.350 0.000 0.000 0.266 225 T C 2.796 177.647 174.700 0.251 0.000 1.037 225 T CA 2.557 64.815 62.100 0.263 0.000 1.146 225 T CB -0.510 68.609 68.868 0.418 0.000 0.865 225 T HN 1.254 nan 8.240 nan 0.000 0.435 226 A N 1.625 124.542 122.820 0.163 0.000 1.908 226 A HA -0.179 4.142 4.320 0.000 0.000 0.218 226 A C 2.223 179.862 177.584 0.092 0.000 1.181 226 A CA 1.883 53.981 52.037 0.103 0.000 0.627 226 A CB -0.584 18.453 19.000 0.061 0.000 0.818 226 A HN 0.461 nan 8.150 nan 0.000 0.445 227 E N -1.570 118.691 120.200 0.101 0.000 2.106 227 E HA -0.170 4.180 4.350 0.000 0.000 0.192 227 E C 1.574 178.221 176.600 0.079 0.000 0.984 227 E CA 1.186 57.627 56.400 0.068 0.000 0.806 227 E CB -0.356 29.382 29.700 0.064 0.000 0.750 227 E HN 0.844 nan 8.360 nan 0.000 0.458 228 W N 0.917 122.212 121.300 -0.009 0.000 2.358 228 W HA -0.090 4.570 4.660 0.000 0.000 0.303 228 W C 1.661 178.168 176.519 -0.021 0.000 1.208 228 W CA 1.377 58.712 57.345 -0.016 0.000 1.274 228 W CB -0.143 29.312 29.460 -0.009 0.000 1.138 228 W HN -0.022 nan 8.180 nan 0.000 0.515 229 I N 0.667 121.311 120.570 0.123 0.000 2.226 229 I HA -0.314 3.856 4.170 0.000 0.000 0.245 229 I C 2.613 178.610 176.117 -0.200 0.000 1.100 229 I CA 1.481 62.747 61.300 -0.056 0.000 1.374 229 I CB -1.083 36.971 38.000 0.089 0.000 1.057 229 I HN 0.077 nan 8.210 nan 0.000 0.413 230 A N 0.806 123.552 122.820 -0.124 0.000 1.940 230 A HA -0.213 4.108 4.320 0.000 0.000 0.219 230 A C 2.346 179.810 177.584 -0.200 0.000 1.176 230 A CA 1.476 53.432 52.037 -0.135 0.000 0.631 230 A CB -0.601 18.353 19.000 -0.077 0.000 0.814 230 A HN 0.338 nan 8.150 nan 0.000 0.446 231 R N -1.185 119.157 120.500 -0.263 0.000 2.193 231 R HA -0.108 4.232 4.340 0.000 0.000 0.229 231 R C 1.763 177.837 176.300 -0.378 0.000 1.110 231 R CA 1.247 57.168 56.100 -0.299 0.000 0.988 231 R CB -0.588 29.508 30.300 -0.339 0.000 0.871 231 R HN 0.617 nan 8.270 nan 0.000 0.458 232 C N 0.229 119.238 119.300 -0.485 0.000 2.514 232 C HA 0.009 4.469 4.460 0.000 0.000 0.271 232 C C 1.314 176.104 174.990 -0.334 0.000 1.399 232 C CA -0.385 58.353 59.018 -0.467 0.000 1.765 232 C CB -0.742 26.657 27.740 -0.568 0.000 1.893 232 C HN 0.458 nan 8.230 nan 0.000 0.531 233 Q N 2.658 122.287 119.800 -0.285 0.000 2.313 233 Q HA 0.142 4.482 4.340 0.000 0.000 0.266 233 Q C 0.156 176.006 176.000 -0.250 0.000 0.989 233 Q CA 0.289 55.928 55.803 -0.275 0.000 0.890 233 Q CB 0.563 29.171 28.738 -0.216 0.000 1.200 233 Q HN 0.706 nan 8.270 nan 0.000 0.396 234 N N 3.538 122.048 118.700 -0.316 0.000 2.813 234 N HA 0.135 4.875 4.740 0.000 0.000 0.320 234 N C 0.820 176.188 175.510 -0.238 0.000 1.315 234 N CA -0.576 52.324 53.050 -0.249 0.000 0.871 234 N CB -0.393 37.916 38.487 -0.297 0.000 1.241 234 N HN 0.861 nan 8.380 nan 0.000 0.602 235 W N -0.453 120.785 121.300 -0.104 0.000 2.364 235 W HA -0.045 4.616 4.660 0.000 0.000 0.281 235 W C 0.509 176.997 176.519 -0.052 0.000 1.219 235 W CA 0.906 58.212 57.345 -0.065 0.000 1.220 235 W CB -0.945 28.491 29.460 -0.040 0.000 1.127 235 W HN 0.578 nan 8.180 nan 0.000 0.556 236 E N 0.245 119.895 120.200 -0.917 0.000 2.216 236 E HA 0.114 4.464 4.350 0.000 0.000 0.192 236 E C 2.151 178.525 176.600 -0.378 0.000 0.988 236 E CA 1.046 56.998 56.400 -0.746 0.000 0.834 236 E CB -0.381 28.715 29.700 -1.007 0.000 0.772 236 E HN 0.432 nan 8.360 nan 0.000 0.479 237 G N 0.668 109.202 108.800 -0.443 0.000 2.307 237 G HA2 -0.218 3.742 3.960 0.000 0.000 0.210 237 G HA3 -0.218 3.742 3.960 0.000 0.000 0.210 237 G C 0.603 175.184 174.900 -0.532 0.000 1.005 237 G CA -0.242 44.682 45.100 -0.293 0.000 0.634 237 G HN 0.531 nan 8.290 nan 0.000 0.496 238 G N -0.298 107.763 108.800 -1.232 0.000 2.535 238 G HA2 0.611 4.571 3.960 0.000 0.000 0.282 238 G HA3 0.611 4.571 3.960 0.000 0.000 0.282 238 G C -0.181 174.186 174.900 -0.888 0.000 1.350 238 G CA -0.401 43.729 45.100 -1.616 0.000 1.039 238 G HN 0.701 nan 8.290 nan 0.000 0.509 239 I N 0.093 120.250 120.570 -0.689 0.000 2.509 239 I HA 0.459 4.629 4.170 0.000 0.000 0.293 239 I C 0.793 176.758 176.117 -0.255 0.000 1.020 239 I CA -0.735 60.336 61.300 -0.383 0.000 1.088 239 I CB 2.097 39.950 38.000 -0.244 0.000 1.267 239 I HN 0.590 nan 8.210 nan 0.000 0.430 240 G N 2.597 111.246 108.800 -0.251 0.000 2.511 240 G HA2 0.421 4.381 3.960 0.000 0.000 0.316 240 G HA3 0.421 4.381 3.960 0.000 0.000 0.316 240 G C 0.905 175.582 174.900 -0.371 0.000 1.210 240 G CA -0.171 44.816 45.100 -0.188 0.000 0.969 240 G HN 0.789 nan 8.290 nan 0.000 0.492 241 G N -1.516 106.873 108.800 -0.687 0.000 2.432 241 G HA2 0.241 4.201 3.960 0.000 0.000 0.219 241 G HA3 0.241 4.201 3.960 0.000 0.000 0.219 241 G C 0.622 175.221 174.900 -0.502 0.000 1.135 241 G CA 1.855 46.182 45.100 -1.288 0.000 0.767 241 G HN 1.491 nan 8.290 nan 0.000 0.550 242 V N -5.041 114.675 119.914 -0.330 0.000 3.188 242 V HA 0.645 4.765 4.120 0.000 0.000 0.305 242 V C -3.067 172.856 176.094 -0.286 0.000 1.232 242 V CA -2.988 59.185 62.300 -0.210 0.000 1.043 242 V CB 1.674 33.493 31.823 -0.007 0.000 1.068 242 V HN -0.152 nan 8.190 nan 0.000 0.439 243 P HA 0.363 nan 4.420 nan 0.000 0.262 243 P C 0.972 178.187 177.300 -0.142 0.000 1.182 243 P CA 2.162 65.097 63.100 -0.274 0.000 0.761 243 P CB 0.656 32.197 31.700 -0.265 0.000 0.795 244 G N 1.921 110.654 108.800 -0.110 0.000 2.258 244 G HA2 -0.213 3.747 3.960 0.000 0.000 0.233 244 G HA3 -0.213 3.747 3.960 0.000 0.000 0.233 244 G C 0.250 175.144 174.900 -0.010 0.000 1.006 244 G CA -0.401 44.679 45.100 -0.035 0.000 0.620 244 G HN 0.400 nan 8.290 nan 0.000 0.511 245 M N 1.385 120.948 119.600 -0.062 0.000 2.247 245 M HA 0.385 4.866 4.480 0.000 0.000 0.326 245 M C 0.768 177.042 176.300 -0.043 0.000 1.134 245 M CA -0.753 54.524 55.300 -0.038 0.000 1.136 245 M CB 0.793 33.349 32.600 -0.073 0.000 1.454 245 M HN 0.388 nan 8.290 nan 0.000 0.467 246 E N 1.143 121.353 120.200 0.017 0.000 2.452 246 E HA 0.224 4.574 4.350 0.000 0.000 0.261 246 E C -0.656 175.913 176.600 -0.052 0.000 0.987 246 E CA -0.347 56.056 56.400 0.005 0.000 0.926 246 E CB 0.696 30.452 29.700 0.094 0.000 0.934 246 E HN 0.687 nan 8.360 nan 0.000 0.452 247 A N 5.175 127.867 122.820 -0.214 0.000 2.488 247 A HA 0.072 4.393 4.320 0.000 0.000 0.249 247 A C -0.456 177.135 177.584 0.011 0.000 1.083 247 A CA 0.148 51.977 52.037 -0.347 0.000 0.768 247 A CB 0.309 18.751 19.000 -0.930 0.000 1.017 247 A HN 0.710 nan 8.150 nan 0.000 0.496 248 H N 1.526 120.587 119.070 -0.015 0.000 2.806 248 H HA 0.385 4.941 4.556 0.000 0.000 0.367 248 H C 1.226 176.648 175.328 0.157 0.000 1.136 248 H CA 0.165 56.288 56.048 0.126 0.000 1.178 248 H CB 1.849 31.651 29.762 0.066 0.000 1.718 248 H HN 0.674 nan 8.280 nan 0.000 0.540 249 G N 2.283 111.107 108.800 0.040 0.000 2.469 249 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 249 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 249 G C 1.520 176.536 174.900 0.194 0.000 1.150 249 G CA 0.881 46.081 45.100 0.168 0.000 0.763 249 G HN 0.675 nan 8.290 nan 0.000 0.561 250 G N -0.051 108.833 108.800 0.139 0.000 2.446 250 G HA2 -0.207 3.754 3.960 0.000 0.000 0.217 250 G HA3 -0.207 3.754 3.960 0.000 0.000 0.217 250 G C 1.623 176.370 174.900 -0.256 0.000 1.168 250 G CA 0.937 45.807 45.100 -0.382 0.000 0.771 250 G HN 0.537 nan 8.290 nan 0.000 0.551 251 Y N 0.741 121.034 120.300 -0.011 0.000 2.373 251 Y HA -0.036 4.514 4.550 0.000 0.000 0.293 251 Y C 3.291 179.162 175.900 -0.049 0.000 1.129 251 Y CA 1.040 59.116 58.100 -0.039 0.000 1.226 251 Y CB -0.064 38.366 38.460 -0.050 0.000 1.000 251 Y HN 0.122 nan 8.280 nan 0.000 0.549 252 T N 0.400 115.019 114.554 0.107 0.000 2.777 252 T HA -0.193 4.157 4.350 0.000 0.000 0.266 252 T C 1.532 176.236 174.700 0.006 0.000 1.040 252 T CA 1.248 63.349 62.100 0.003 0.000 1.141 252 T CB -0.589 68.273 68.868 -0.010 0.000 0.868 252 T HN 0.317 nan 8.240 nan 0.000 0.444 253 F N 1.658 121.605 119.950 -0.005 0.000 2.075 253 F HA -0.176 4.351 4.527 0.000 0.000 0.297 253 F C 2.470 178.184 175.800 -0.143 0.000 1.113 253 F CA 0.785 58.761 58.000 -0.039 0.000 1.218 253 F CB -0.881 38.195 39.000 0.128 0.000 0.984 253 F HN 0.149 nan 8.300 nan 0.000 0.472 254 C N 0.875 120.088 119.300 -0.147 0.000 2.398 254 C HA -0.159 4.301 4.460 0.000 0.000 0.276 254 C C 3.108 177.994 174.990 -0.174 0.000 1.222 254 C CA 1.379 60.236 59.018 -0.267 0.000 1.746 254 C CB -1.973 25.808 27.740 0.068 0.000 2.039 254 C HN 0.753 nan 8.230 nan 0.000 0.470 255 G N -0.090 108.662 108.800 -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 1.501 176.327 174.900 -0.122 0.000 1.186 255 G CA 1.032 46.098 45.100 -0.056 0.000 0.779 255 G HN 0.450 nan 8.290 nan 0.000 0.543 256 L N 1.329 122.433 121.223 -0.199 0.000 2.056 256 L HA 0.232 4.572 4.340 0.000 0.000 0.207 256 L C 3.060 179.780 176.870 -0.250 0.000 1.078 256 L CA 2.045 56.766 54.840 -0.198 0.000 0.749 256 L CB -0.754 41.197 42.059 -0.182 0.000 0.901 256 L HN 0.239 nan 8.230 nan 0.000 0.433 257 A N -0.505 122.040 122.820 -0.459 0.000 1.902 257 A HA -0.102 4.218 4.320 0.000 0.000 0.217 257 A C 2.450 179.966 177.584 -0.114 0.000 1.181 257 A CA 1.769 53.567 52.037 -0.397 0.000 0.623 257 A CB -1.121 17.386 19.000 -0.821 0.000 0.818 257 A HN 0.558 nan 8.150 nan 0.000 0.443 258 A N -0.207 122.595 122.820 -0.030 0.000 1.877 258 A HA -0.056 4.264 4.320 0.000 0.000 0.216 258 A C 2.163 179.696 177.584 -0.084 0.000 1.186 258 A CA 1.503 53.541 52.037 0.000 0.000 0.620 258 A CB -0.626 18.404 19.000 0.050 0.000 0.822 258 A HN 0.471 nan 8.150 nan 0.000 0.443 259 L N -0.494 120.688 121.223 -0.069 0.000 2.083 259 L HA -0.159 4.182 4.340 0.000 0.000 0.209 259 L C 2.507 179.344 176.870 -0.055 0.000 1.083 259 L CA 0.928 55.733 54.840 -0.058 0.000 0.752 259 L CB -0.492 41.539 42.059 -0.046 0.000 0.899 259 L HN 0.257 nan 8.230 nan 0.000 0.433 260 V N 0.176 120.054 119.914 -0.061 0.000 2.343 260 V HA -0.289 3.831 4.120 0.000 0.000 0.247 260 V C 2.295 178.376 176.094 -0.021 0.000 1.051 260 V CA 1.771 64.052 62.300 -0.032 0.000 1.036 260 V CB -0.266 31.536 31.823 -0.034 0.000 0.654 260 V HN 0.318 nan 8.190 nan 0.000 0.451 261 I N -0.332 120.205 120.570 -0.055 0.000 2.226 261 I HA -0.236 3.935 4.170 0.000 0.000 0.245 261 I C 2.034 178.113 176.117 -0.063 0.000 1.100 261 I CA 1.582 62.852 61.300 -0.050 0.000 1.374 261 I CB -0.232 37.705 38.000 -0.105 0.000 1.057 261 I HN 0.249 nan 8.210 nan 0.000 0.413 262 L N 0.273 121.430 121.223 -0.109 0.000 2.610 262 L HA -0.003 4.337 4.340 0.000 0.000 0.232 262 L C 0.621 177.480 176.870 -0.019 0.000 1.149 262 L CA 0.307 55.092 54.840 -0.091 0.000 0.872 262 L CB -0.441 41.542 42.059 -0.127 0.000 0.992 262 L HN 0.225 nan 8.230 nan 0.000 0.447 263 K N 0.790 121.186 120.400 -0.007 0.000 3.096 263 K HA -0.171 4.149 4.320 0.000 0.000 0.266 263 K C 0.140 176.746 176.600 0.011 0.000 1.043 263 K CA 0.253 56.548 56.287 0.014 0.000 0.758 263 K CB -0.722 31.796 32.500 0.030 0.000 1.260 263 K HN 0.245 nan 8.250 nan 0.000 0.481 264 R N -0.150 120.350 120.500 -0.000 0.000 2.659 264 R HA 0.061 4.401 4.340 0.000 0.000 0.418 264 R C 0.489 176.787 176.300 -0.004 0.000 1.076 264 R CA -0.017 56.085 56.100 0.003 0.000 1.093 264 R CB 0.479 30.784 30.300 0.008 0.000 1.400 264 R HN 0.263 nan 8.270 nan 0.000 0.583 265 E N 0.791 120.987 120.200 -0.006 0.000 2.130 265 E HA -0.126 4.224 4.350 0.000 0.000 0.196 265 E C 1.532 178.127 176.600 -0.009 0.000 0.998 265 E CA 1.096 57.489 56.400 -0.012 0.000 0.806 265 E CB -0.064 29.634 29.700 -0.004 0.000 0.738 265 E HN 0.143 nan 8.360 nan 0.000 0.459 266 R N 0.389 120.888 120.500 -0.001 0.000 2.303 266 R HA -0.023 4.317 4.340 0.000 0.000 0.225 266 R C 1.825 178.122 176.300 -0.006 0.000 1.114 266 R CA 0.901 57.001 56.100 -0.001 0.000 1.007 266 R CB -0.164 30.138 30.300 0.004 0.000 0.861 266 R HN 0.087 nan 8.270 nan 0.000 0.471 267 S N 0.532 116.226 115.700 -0.009 0.000 2.474 267 S HA 0.008 4.478 4.470 0.000 0.000 0.235 267 S C 0.886 175.470 174.600 -0.027 0.000 0.997 267 S CA 0.613 58.805 58.200 -0.013 0.000 0.949 267 S CB 0.048 63.242 63.200 -0.009 0.000 0.766 267 S HN 0.169 nan 8.310 nan 0.000 0.517 268 L N 1.665 122.869 121.223 -0.032 0.000 2.387 268 L HA 0.388 4.729 4.340 0.000 0.000 0.266 268 L C 0.447 177.298 176.870 -0.032 0.000 1.059 268 L CA -0.828 53.984 54.840 -0.046 0.000 0.801 268 L CB 0.347 42.372 42.059 -0.056 0.000 1.223 268 L HN 0.006 nan 8.230 nan 0.000 0.456 269 N N 1.670 120.347 118.700 -0.038 0.000 2.482 269 N HA 0.148 4.889 4.740 0.000 0.000 0.242 269 N C 0.574 176.076 175.510 -0.013 0.000 1.100 269 N CA 0.053 53.091 53.050 -0.020 0.000 0.946 269 N CB 0.651 39.125 38.487 -0.023 0.000 1.227 269 N HN 0.574 nan 8.380 nan 0.000 0.508 270 L N 2.131 123.354 121.223 0.001 0.000 2.201 270 L HA -0.088 4.252 4.340 0.000 0.000 0.212 270 L C 2.439 179.330 176.870 0.036 0.000 1.105 270 L CA 0.726 55.576 54.840 0.016 0.000 0.775 270 L CB -0.259 41.813 42.059 0.022 0.000 0.913 270 L HN 0.498 nan 8.230 nan 0.000 0.440 271 K N 0.904 121.324 120.400 0.033 0.000 2.025 271 K HA -0.170 4.151 4.320 0.000 0.000 0.207 271 K C 2.262 178.896 176.600 0.056 0.000 1.049 271 K CA 2.026 58.340 56.287 0.045 0.000 0.933 271 K CB -0.083 32.439 32.500 0.037 0.000 0.714 271 K HN 0.373 nan 8.250 nan 0.000 0.438 272 S N 0.941 116.666 115.700 0.042 0.000 2.428 272 S HA -0.095 4.375 4.470 0.000 0.000 0.230 272 S C 2.227 176.872 174.600 0.076 0.000 1.014 272 S CA 0.593 58.824 58.200 0.051 0.000 0.957 272 S CB -0.396 62.815 63.200 0.018 0.000 0.784 272 S HN 0.363 nan 8.310 nan 0.000 0.499 273 L N 0.237 121.491 121.223 0.051 0.000 2.027 273 L HA 0.039 4.379 4.340 0.000 0.000 0.206 273 L C 2.497 179.478 176.870 0.185 0.000 1.074 273 L CA 1.193 56.083 54.840 0.084 0.000 0.745 273 L CB -0.372 41.699 42.059 0.021 0.000 0.898 273 L HN 0.361 nan 8.230 nan 0.000 0.433 274 L N -0.055 121.248 121.223 0.133 0.000 2.012 274 L HA -0.305 4.035 4.340 0.000 0.000 0.210 274 L C 2.497 179.457 176.870 0.151 0.000 1.073 274 L CA 2.058 56.983 54.840 0.141 0.000 0.748 274 L CB -0.667 41.461 42.059 0.115 0.000 0.891 274 L HN 0.370 nan 8.230 nan 0.000 0.431 275 Q N -1.904 117.979 119.800 0.139 0.000 2.124 275 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 275 Q C 2.072 178.156 176.000 0.140 0.000 0.977 275 Q CA 2.111 57.987 55.803 0.122 0.000 0.850 275 Q CB -0.464 28.336 28.738 0.104 0.000 0.901 275 Q HN 0.677 nan 8.270 nan 0.000 0.429 276 W N -0.408 120.887 121.300 -0.008 0.000 2.378 276 W HA -0.200 4.460 4.660 0.000 0.000 0.313 276 W C 1.982 178.496 176.519 -0.009 0.000 1.197 276 W CA 1.580 58.903 57.345 -0.037 0.000 1.304 276 W CB -0.650 28.757 29.460 -0.087 0.000 1.148 276 W HN 0.043 nan 8.180 nan 0.000 0.494 277 V N 1.411 121.409 119.914 0.140 0.000 2.343 277 V HA -0.296 3.825 4.120 0.000 0.000 0.247 277 V C 2.467 178.534 176.094 -0.045 0.000 1.051 277 V CA 3.339 65.572 62.300 -0.111 0.000 1.036 277 V CB -1.188 30.711 31.823 0.127 0.000 0.654 277 V HN 0.481 nan 8.190 nan 0.000 0.451 278 T N -2.870 111.721 114.554 0.061 0.000 2.833 278 T HA -0.154 4.196 4.350 0.000 0.000 0.269 278 T C 1.872 176.557 174.700 -0.025 0.000 1.054 278 T CA 1.777 63.941 62.100 0.106 0.000 1.135 278 T CB -0.621 68.323 68.868 0.126 0.000 0.869 278 T HN 0.465 nan 8.240 nan 0.000 0.466 279 S N 1.006 116.637 115.700 -0.114 0.000 2.515 279 S HA 0.080 4.550 4.470 0.000 0.000 0.231 279 S C 1.967 176.403 174.600 -0.273 0.000 0.987 279 S CA 0.141 58.239 58.200 -0.170 0.000 0.936 279 S CB -0.196 62.908 63.200 -0.161 0.000 0.766 279 S HN 0.426 nan 8.310 nan 0.000 0.528 280 R N 1.237 121.527 120.500 -0.350 0.000 2.275 280 R HA 0.145 4.486 4.340 0.000 0.000 0.199 280 R C 0.871 176.960 176.300 -0.351 0.000 0.989 280 R CA 0.098 55.987 56.100 -0.353 0.000 1.016 280 R CB -0.345 29.691 30.300 -0.439 0.000 0.918 280 R HN 0.506 nan 8.270 nan 0.000 0.473 281 Q N 1.211 120.659 119.800 -0.586 0.000 2.296 281 Q HA 0.116 4.456 4.340 0.000 0.000 0.262 281 Q C -0.487 175.235 176.000 -0.462 0.000 0.981 281 Q CA -0.204 54.984 55.803 -1.024 0.000 0.905 281 Q CB 0.704 28.820 28.738 -1.037 0.000 1.186 281 Q HN -0.136 nan 8.270 nan 0.000 0.399 282 M N 4.652 124.023 119.600 -0.381 0.000 2.194 282 M HA 0.062 4.542 4.480 0.000 0.000 0.347 282 M C 1.169 177.417 176.300 -0.086 0.000 1.439 282 M CA 0.509 55.700 55.300 -0.181 0.000 1.131 282 M CB 0.329 32.840 32.600 -0.147 0.000 1.733 282 M HN 0.701 nan 8.290 nan 0.000 0.467 283 R N 1.684 122.168 120.500 -0.027 0.000 2.105 283 R HA -0.191 4.150 4.340 0.000 0.000 0.239 283 R C 1.494 177.848 176.300 0.089 0.000 1.135 283 R CA 1.697 57.817 56.100 0.032 0.000 0.967 283 R CB -0.529 29.783 30.300 0.020 0.000 0.861 283 R HN 0.538 nan 8.270 nan 0.000 0.442 284 F N 1.845 121.783 119.950 -0.020 0.000 2.188 284 F HA 0.112 4.639 4.527 0.000 0.000 0.289 284 F C 1.818 177.822 175.800 0.340 0.000 1.082 284 F CA 1.184 59.204 58.000 0.034 0.000 1.282 284 F CB 0.111 39.097 39.000 -0.022 0.000 1.060 284 F HN -0.096 nan 8.300 nan 0.000 0.493 285 E N 0.056 120.355 120.200 0.165 0.000 2.150 285 E HA 0.077 4.427 4.350 0.000 0.000 0.193 285 E C 1.893 178.579 176.600 0.143 0.000 0.985 285 E CA 1.259 57.731 56.400 0.119 0.000 0.814 285 E CB -0.577 29.085 29.700 -0.063 0.000 0.752 285 E HN 0.600 nan 8.360 nan 0.000 0.466 286 G N -0.194 108.613 108.800 0.010 0.000 2.299 286 G HA2 -0.261 3.700 3.960 0.000 0.000 0.237 286 G HA3 -0.261 3.700 3.960 0.000 0.000 0.237 286 G C 0.701 175.536 174.900 -0.107 0.000 1.027 286 G CA 0.043 45.145 45.100 0.003 0.000 0.619 286 G HN 0.638 nan 8.290 nan 0.000 0.513 287 G N -0.560 108.034 108.800 -0.344 0.000 2.535 287 G HA2 0.586 4.546 3.960 0.000 0.000 0.282 287 G HA3 0.586 4.546 3.960 0.000 0.000 0.282 287 G C -0.478 174.237 174.900 -0.309 0.000 1.350 287 G CA -0.593 44.303 45.100 -0.339 0.000 1.039 287 G HN 0.324 nan 8.290 nan 0.000 0.509 288 F N -0.526 119.346 119.950 -0.130 0.000 2.507 288 F HA 0.405 4.932 4.527 0.000 0.000 0.327 288 F C 0.725 176.514 175.800 -0.019 0.000 1.068 288 F CA -0.668 57.277 58.000 -0.091 0.000 0.965 288 F CB 2.127 41.083 39.000 -0.074 0.000 1.192 288 F HN 0.527 nan 8.300 nan 0.000 0.476 289 Q N 0.585 120.406 119.800 0.035 0.000 2.204 289 Q HA 0.592 4.933 4.340 0.000 0.000 0.254 289 Q C 0.470 176.203 176.000 -0.445 0.000 0.981 289 Q CA -0.581 55.182 55.803 -0.067 0.000 0.897 289 Q CB 1.672 30.336 28.738 -0.123 0.000 1.273 289 Q HN 0.819 nan 8.270 nan 0.000 0.464 290 G N 0.857 109.150 108.800 -0.845 0.000 2.494 290 G HA2 0.039 3.999 3.960 0.000 0.000 0.216 290 G HA3 0.039 3.999 3.960 0.000 0.000 0.216 290 G C 0.161 174.483 174.900 -0.962 0.000 1.140 290 G CA 0.073 44.268 45.100 -1.508 0.000 0.801 290 G HN 0.678 nan 8.290 nan 0.000 0.536 291 R N -2.104 118.099 120.500 -0.494 0.000 2.692 291 R HA 0.453 4.793 4.340 0.000 0.000 0.269 291 R C -1.199 175.028 176.300 -0.121 0.000 1.030 291 R CA -0.930 55.054 56.100 -0.194 0.000 0.882 291 R CB 0.177 30.438 30.300 -0.066 0.000 1.250 291 R HN -0.035 nan 8.270 nan 0.000 0.465 292 C N 2.288 121.567 119.300 -0.034 0.000 2.611 292 C HA 0.070 4.530 4.460 0.000 0.000 0.416 292 C C 0.739 175.728 174.990 -0.002 0.000 1.366 292 C CA 1.047 60.043 59.018 -0.036 0.000 1.761 292 C CB -1.232 26.526 27.740 0.030 0.000 2.619 292 C HN 0.996 nan 8.230 nan 0.000 0.606 293 N N 2.289 120.979 118.700 -0.016 0.000 2.782 293 N HA -0.135 4.605 4.740 0.000 0.000 0.251 293 N C -0.376 175.139 175.510 0.009 0.000 1.101 293 N CA 1.331 54.384 53.050 0.004 0.000 0.764 293 N CB -0.671 37.835 38.487 0.031 0.000 1.122 293 N HN 0.793 nan 8.380 nan 0.000 0.561 294 K N -0.147 120.249 120.400 -0.007 0.000 2.312 294 K HA 0.562 4.882 4.320 0.000 0.000 0.236 294 K C 0.578 177.185 176.600 0.013 0.000 1.079 294 K CA -0.788 55.509 56.287 0.016 0.000 0.900 294 K CB 1.095 33.613 32.500 0.031 0.000 1.297 294 K HN -0.067 nan 8.250 nan 0.000 0.498 295 L N 0.978 122.232 121.223 0.051 0.000 2.421 295 L HA 0.292 4.632 4.340 0.000 0.000 0.263 295 L C 0.552 177.475 176.870 0.087 0.000 1.122 295 L CA -0.850 54.025 54.840 0.058 0.000 0.804 295 L CB 1.103 43.206 42.059 0.073 0.000 1.150 295 L HN 0.263 nan 8.230 nan 0.000 0.457 296 V N 1.365 121.303 119.914 0.041 0.000 2.999 296 V HA 0.089 4.209 4.120 0.000 0.000 0.307 296 V C -0.460 175.713 176.094 0.132 0.000 1.084 296 V CA 0.577 62.882 62.300 0.008 0.000 1.155 296 V CB 1.285 32.987 31.823 -0.202 0.000 0.975 296 V HN 0.900 nan 8.190 nan 0.000 0.490 297 D N 2.849 123.374 120.400 0.209 0.000 2.871 297 D HA 0.316 4.956 4.640 0.000 0.000 0.209 297 D C 0.676 177.119 176.300 0.238 0.000 1.292 297 D CA 0.180 54.316 54.000 0.226 0.000 0.869 297 D CB 1.602 42.516 40.800 0.190 0.000 1.663 297 D HN 0.594 nan 8.370 nan 0.000 0.557 298 G N 1.659 110.647 108.800 0.313 0.000 2.475 298 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 298 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 298 G C 1.748 176.744 174.900 0.160 0.000 1.125 298 G CA 1.368 46.654 45.100 0.310 0.000 0.755 298 G HN 0.762 nan 8.290 nan 0.000 0.565 299 C N -1.346 118.001 119.300 0.079 0.000 2.432 299 C HA 0.124 4.584 4.460 0.000 0.000 0.280 299 C C 2.329 177.239 174.990 -0.134 0.000 1.353 299 C CA 0.197 59.129 59.018 -0.143 0.000 1.766 299 C CB -1.628 25.900 27.740 -0.352 0.000 1.924 299 C HN 0.474 nan 8.230 nan 0.000 0.509 300 Y N 2.109 122.530 120.300 0.203 0.000 2.616 300 Y HA -0.042 4.508 4.550 0.000 0.000 0.296 300 Y C 2.714 178.558 175.900 -0.094 0.000 1.154 300 Y CA 0.605 58.777 58.100 0.120 0.000 1.325 300 Y CB -0.351 38.194 38.460 0.142 0.000 1.007 300 Y HN 0.331 nan 8.280 nan 0.000 0.542 301 S N 0.072 115.818 115.700 0.078 0.000 2.399 301 S HA -0.186 4.284 4.470 0.000 0.000 0.231 301 S C 1.544 176.027 174.600 -0.195 0.000 1.022 301 S CA 1.310 59.508 58.200 -0.004 0.000 0.983 301 S CB -0.344 62.930 63.200 0.123 0.000 0.803 301 S HN 0.545 nan 8.310 nan 0.000 0.480 302 F N 0.473 120.243 119.950 -0.299 0.000 2.222 302 F HA 0.183 4.711 4.527 0.000 0.000 0.285 302 F C 1.637 177.143 175.800 -0.490 0.000 1.068 302 F CA 0.212 57.948 58.000 -0.441 0.000 1.265 302 F CB -0.736 37.945 39.000 -0.531 0.000 1.087 302 F HN 0.145 nan 8.300 nan 0.000 0.511 303 W N 1.055 122.095 121.300 -0.432 0.000 2.321 303 W HA -0.223 4.437 4.660 0.000 0.000 0.306 303 W C 2.382 178.682 176.519 -0.366 0.000 1.217 303 W CA 1.161 58.251 57.345 -0.425 0.000 1.257 303 W CB -0.500 28.951 29.460 -0.015 0.000 1.145 303 W HN 0.105 nan 8.180 nan 0.000 0.509 304 Q N -0.260 119.395 119.800 -0.243 0.000 2.084 304 Q HA 0.047 4.387 4.340 0.000 0.000 0.194 304 Q C 2.483 177.964 176.000 -0.865 0.000 0.969 304 Q CA 1.399 56.896 55.803 -0.509 0.000 0.829 304 Q CB -1.304 27.023 28.738 -0.685 0.000 0.904 304 Q HN 0.280 nan 8.270 nan 0.000 0.464 305 A N 1.254 123.280 122.820 -1.323 0.000 1.978 305 A HA -0.097 4.223 4.320 0.000 0.000 0.220 305 A C 2.259 179.363 177.584 -0.800 0.000 1.170 305 A CA 1.774 53.001 52.037 -1.350 0.000 0.636 305 A CB -1.093 17.051 19.000 -1.426 0.000 0.810 305 A HN 0.455 nan 8.150 nan 0.000 0.448 306 G N -0.353 108.008 108.800 -0.732 0.000 2.470 306 G HA2 -0.126 3.835 3.960 0.000 0.000 0.220 306 G HA3 -0.126 3.835 3.960 0.000 0.000 0.220 306 G C 1.421 176.141 174.900 -0.300 0.000 1.121 306 G CA 0.922 45.661 45.100 -0.602 0.000 0.766 306 G HN 0.472 nan 8.290 nan 0.000 0.553 307 L N 0.054 121.134 121.223 -0.238 0.000 2.201 307 L HA 0.001 4.341 4.340 0.000 0.000 0.212 307 L C 2.600 179.408 176.870 -0.105 0.000 1.105 307 L CA 0.012 54.787 54.840 -0.109 0.000 0.775 307 L CB -0.233 41.803 42.059 -0.039 0.000 0.913 307 L HN 0.116 nan 8.230 nan 0.000 0.440 308 L N 0.013 121.146 121.223 -0.149 0.000 2.046 308 L HA -0.109 4.231 4.340 0.000 0.000 0.208 308 L C 0.082 176.879 176.870 -0.121 0.000 1.077 308 L CA 2.148 56.986 54.840 -0.004 0.000 0.747 308 L CB -2.540 39.666 42.059 0.246 0.000 0.896 308 L HN 0.166 nan 8.230 nan 0.000 0.432 309 P HA -0.104 nan 4.420 nan 0.000 0.218 309 P C 2.225 179.427 177.300 -0.162 0.000 1.149 309 P CA 1.011 63.652 63.100 -0.765 0.000 0.817 309 P CB 0.127 31.236 31.700 -0.986 0.000 0.785 310 L N -1.653 119.499 121.223 -0.119 0.000 2.056 310 L HA -0.144 4.197 4.340 0.000 0.000 0.207 310 L C 2.404 179.296 176.870 0.036 0.000 1.078 310 L CA 1.310 56.129 54.840 -0.035 0.000 0.749 310 L CB -0.985 41.025 42.059 -0.081 0.000 0.901 310 L HN -0.031 nan 8.230 nan 0.000 0.433 311 L N -1.037 120.220 121.223 0.057 0.000 2.056 311 L HA -0.248 4.092 4.340 0.000 0.000 0.207 311 L C 2.635 179.605 176.870 0.166 0.000 1.078 311 L CA 1.197 56.097 54.840 0.100 0.000 0.749 311 L CB -0.601 41.526 42.059 0.112 0.000 0.901 311 L HN 0.293 nan 8.230 nan 0.000 0.433 312 H N -0.003 119.167 119.070 0.166 0.000 2.290 312 H HA -0.246 4.310 4.556 0.000 0.000 0.298 312 H C 2.386 177.845 175.328 0.217 0.000 1.087 312 H CA 2.085 58.288 56.048 0.259 0.000 1.291 312 H CB 0.135 30.173 29.762 0.460 0.000 1.369 312 H HN 0.005 nan 8.280 nan 0.000 0.492 313 R N 0.817 121.504 120.500 0.312 0.000 2.083 313 R HA -0.088 4.252 4.340 0.000 0.000 0.237 313 R C 2.331 178.735 176.300 0.173 0.000 1.137 313 R CA 1.749 57.991 56.100 0.236 0.000 0.951 313 R CB -1.077 29.318 30.300 0.158 0.000 0.851 313 R HN 0.423 nan 8.270 nan 0.000 0.434 314 A N 0.465 123.356 122.820 0.117 0.000 1.858 314 A HA -0.092 4.228 4.320 0.000 0.000 0.216 314 A C 2.338 179.961 177.584 0.065 0.000 1.190 314 A CA 1.675 53.757 52.037 0.075 0.000 0.617 314 A CB -0.697 18.332 19.000 0.049 0.000 0.827 314 A HN 0.363 nan 8.150 nan 0.000 0.443 315 L N -1.653 119.607 121.223 0.061 0.000 2.093 315 L HA -0.180 4.161 4.340 0.000 0.000 0.208 315 L C 2.636 179.529 176.870 0.038 0.000 1.085 315 L CA 1.672 56.533 54.840 0.034 0.000 0.755 315 L CB -0.681 41.389 42.059 0.019 0.000 0.904 315 L HN 0.629 nan 8.230 nan 0.000 0.435 316 H N 0.315 119.353 119.070 -0.054 0.000 2.387 316 H HA -0.113 4.443 4.556 0.000 0.000 0.299 316 H C 2.128 177.464 175.328 0.012 0.000 1.090 316 H CA 1.367 57.395 56.048 -0.032 0.000 1.332 316 H CB 0.126 29.886 29.762 -0.003 0.000 1.386 316 H HN 0.268 nan 8.280 nan 0.000 0.516 317 A N 0.260 123.084 122.820 0.006 0.000 1.972 317 A HA -0.176 4.144 4.320 0.000 0.000 0.219 317 A C 2.096 179.642 177.584 -0.063 0.000 1.169 317 A CA 1.657 53.671 52.037 -0.038 0.000 0.635 317 A CB -0.364 18.656 19.000 0.032 0.000 0.810 317 A HN 0.667 nan 8.150 nan 0.000 0.446 318 Q N -1.284 118.494 119.800 -0.038 0.000 2.444 318 Q HA 0.260 4.600 4.340 0.000 0.000 0.206 318 Q C 0.864 176.834 176.000 -0.049 0.000 0.948 318 Q CA 0.260 56.045 55.803 -0.031 0.000 0.946 318 Q CB 0.012 28.745 28.738 -0.008 0.000 1.027 318 Q HN 0.847 nan 8.270 nan 0.000 0.513 319 G N 2.363 111.104 108.800 -0.098 0.000 2.225 319 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 319 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 319 G C -0.514 174.363 174.900 -0.037 0.000 1.060 319 G CA 0.151 45.194 45.100 -0.095 0.000 0.833 319 G HN 0.365 nan 8.290 nan 0.000 0.498 320 D N 0.618 121.008 120.400 -0.017 0.000 2.363 320 D HA 0.225 4.865 4.640 0.000 0.000 0.263 320 D C 0.158 176.473 176.300 0.025 0.000 1.258 320 D CA -1.112 52.893 54.000 0.008 0.000 0.907 320 D CB 1.129 41.937 40.800 0.012 0.000 1.107 320 D HN 0.263 nan 8.370 nan 0.000 0.495 321 P HA 0.026 nan 4.420 nan 0.000 0.241 321 P C 0.519 177.840 177.300 0.034 0.000 1.191 321 P CA 0.205 63.323 63.100 0.030 0.000 0.771 321 P CB 0.422 32.134 31.700 0.020 0.000 0.929 322 A N -0.424 122.416 122.820 0.032 0.000 2.308 322 A HA 0.230 4.550 4.320 0.000 0.000 0.217 322 A C 1.096 178.705 177.584 0.042 0.000 1.216 322 A CA -0.263 51.793 52.037 0.032 0.000 0.864 322 A CB -0.569 18.448 19.000 0.027 0.000 0.902 322 A HN 0.123 nan 8.150 nan 0.000 0.499 323 L N 0.955 122.207 121.223 0.049 0.000 2.456 323 L HA 0.100 4.440 4.340 0.000 0.000 0.272 323 L C 1.136 178.071 176.870 0.109 0.000 1.189 323 L CA -0.210 54.667 54.840 0.063 0.000 0.846 323 L CB 0.991 43.030 42.059 -0.034 0.000 1.111 323 L HN 0.325 nan 8.230 nan 0.000 0.475 324 S N 2.693 118.482 115.700 0.147 0.000 2.579 324 S HA 0.179 4.650 4.470 0.000 0.000 0.275 324 S C 0.625 175.259 174.600 0.057 0.000 1.345 324 S CA -0.257 57.967 58.200 0.039 0.000 1.031 324 S CB 0.573 63.737 63.200 -0.060 0.000 0.892 324 S HN 0.618 nan 8.310 nan 0.000 0.529 325 M N 3.097 122.624 119.600 -0.122 0.000 2.405 325 M HA 0.150 4.630 4.480 0.000 0.000 0.292 325 M C 0.794 176.808 176.300 -0.477 0.000 1.111 325 M CA -0.150 55.100 55.300 -0.083 0.000 0.979 325 M CB 0.428 33.021 32.600 -0.011 0.000 1.426 325 M HN 0.813 nan 8.290 nan 0.000 0.509 326 S N -2.605 112.441 115.700 -1.091 0.000 2.560 326 S HA 0.226 4.696 4.470 0.000 0.000 0.281 326 S C 0.071 173.499 174.600 -1.954 0.000 1.075 326 S CA -0.446 56.898 58.200 -1.427 0.000 1.295 326 S CB 0.407 62.990 63.200 -1.028 0.000 1.156 326 S HN 0.432 nan 8.310 nan 0.000 0.627 327 H N -0.892 117.299 119.070 -1.465 0.000 2.895 327 H HA 0.591 5.147 4.556 0.000 0.000 0.373 327 H C -1.382 173.617 175.328 -0.549 0.000 1.174 327 H CA -0.733 54.769 56.048 -0.909 0.000 1.144 327 H CB 0.850 30.318 29.762 -0.491 0.000 1.793 327 H HN 0.306 nan 8.280 nan 0.000 0.551 328 W N 1.924 123.231 121.300 0.011 0.000 2.215 328 W HA 0.237 4.897 4.660 0.000 0.000 0.342 328 W C 0.513 177.060 176.519 0.046 0.000 1.237 328 W CA -0.701 56.723 57.345 0.132 0.000 1.283 328 W CB 0.610 30.159 29.460 0.149 0.000 1.131 328 W HN 0.362 nan 8.180 nan 0.000 0.606 329 M N 3.602 123.495 119.600 0.488 0.000 3.435 329 M HA 0.156 4.636 4.480 0.000 0.000 0.205 329 M C -1.058 175.470 176.300 0.379 0.000 1.324 329 M CA 0.281 55.773 55.300 0.320 0.000 1.455 329 M CB -0.991 31.784 32.600 0.292 0.000 1.240 329 M HN 0.313 nan 8.290 nan 0.000 0.477 330 F N -3.822 116.272 119.950 0.240 0.000 2.685 330 F HA 0.456 4.983 4.527 0.000 0.000 0.315 330 F C -0.516 175.379 175.800 0.159 0.000 1.126 330 F CA -1.352 56.787 58.000 0.232 0.000 0.950 330 F CB 0.854 40.097 39.000 0.405 0.000 1.360 330 F HN -0.087 nan 8.300 nan 0.000 0.469 331 H N 2.555 121.705 119.070 0.134 0.000 3.109 331 H HA 0.206 4.762 4.556 0.000 0.000 0.266 331 H C 0.573 175.856 175.328 -0.075 0.000 1.334 331 H CA 0.687 56.668 56.048 -0.111 0.000 1.456 331 H CB 1.039 30.686 29.762 -0.191 0.000 1.587 331 H HN 0.846 nan 8.280 nan 0.000 0.500 332 Q N 2.485 122.106 119.800 -0.299 0.000 2.096 332 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 332 Q C 2.087 178.152 176.000 0.107 0.000 0.982 332 Q CA 1.534 57.250 55.803 -0.145 0.000 0.850 332 Q CB 0.206 28.814 28.738 -0.217 0.000 0.901 332 Q HN 0.700 nan 8.270 nan 0.000 0.422 333 Q N -0.022 119.824 119.800 0.076 0.000 2.046 333 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 333 Q C 2.040 178.106 176.000 0.111 0.000 0.975 333 Q CA 1.307 57.167 55.803 0.095 0.000 0.836 333 Q CB -0.139 28.634 28.738 0.059 0.000 0.896 333 Q HN 0.391 nan 8.270 nan 0.000 0.428 334 A N 0.741 123.629 122.820 0.113 0.000 1.933 334 A HA -0.183 4.137 4.320 0.000 0.000 0.218 334 A C 1.968 179.626 177.584 0.122 0.000 1.175 334 A CA 1.312 53.306 52.037 -0.072 0.000 0.628 334 A CB -0.710 18.037 19.000 -0.423 0.000 0.814 334 A HN 0.486 nan 8.150 nan 0.000 0.444 335 L N -0.071 121.305 121.223 0.255 0.000 2.046 335 L HA -0.187 4.153 4.340 0.000 0.000 0.208 335 L C 2.432 179.472 176.870 0.283 0.000 1.077 335 L CA 2.275 57.325 54.840 0.350 0.000 0.747 335 L CB -0.763 41.630 42.059 0.557 0.000 0.896 335 L HN 0.511 nan 8.230 nan 0.000 0.432 336 Q N -0.647 119.280 119.800 0.212 0.000 2.124 336 Q HA -0.224 4.117 4.340 0.000 0.000 0.202 336 Q C 2.057 178.099 176.000 0.070 0.000 0.977 336 Q CA 1.866 57.745 55.803 0.127 0.000 0.850 336 Q CB -0.164 28.624 28.738 0.083 0.000 0.901 336 Q HN 0.653 nan 8.270 nan 0.000 0.429 337 E N -0.068 120.166 120.200 0.057 0.000 2.047 337 E HA -0.213 4.137 4.350 0.000 0.000 0.191 337 E C 1.724 178.361 176.600 0.061 0.000 0.987 337 E CA 1.050 57.441 56.400 -0.014 0.000 0.799 337 E CB -0.171 29.466 29.700 -0.104 0.000 0.752 337 E HN 0.335 nan 8.360 nan 0.000 0.449 338 Y N 1.452 121.801 120.300 0.081 0.000 2.145 338 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 338 Y C 1.940 177.885 175.900 0.075 0.000 1.145 338 Y CA 1.460 59.640 58.100 0.133 0.000 1.148 338 Y CB -0.177 38.364 38.460 0.135 0.000 0.981 338 Y HN -0.056 nan 8.280 nan 0.000 0.507 339 I N -0.439 120.114 120.570 -0.029 0.000 2.142 339 I HA -0.334 3.836 4.170 0.000 0.000 0.240 339 I C 2.338 178.373 176.117 -0.138 0.000 1.078 339 I CA 1.454 62.691 61.300 -0.106 0.000 1.343 339 I CB -0.516 37.510 38.000 0.044 0.000 1.046 339 I HN 0.223 nan 8.210 nan 0.000 0.405 340 L N -0.377 120.796 121.223 -0.085 0.000 2.056 340 L HA -0.201 4.139 4.340 0.000 0.000 0.207 340 L C 2.562 179.335 176.870 -0.162 0.000 1.078 340 L CA 1.474 56.263 54.840 -0.086 0.000 0.749 340 L CB -0.366 41.652 42.059 -0.067 0.000 0.901 340 L HN 0.287 nan 8.230 nan 0.000 0.433 341 M N -1.892 117.549 119.600 -0.264 0.000 2.394 341 M HA -0.084 4.396 4.480 0.000 0.000 0.266 341 M C 1.843 178.038 176.300 -0.175 0.000 1.098 341 M CA 0.940 56.001 55.300 -0.398 0.000 1.149 341 M CB 0.058 32.356 32.600 -0.504 0.000 1.369 341 M HN 0.361 nan 8.290 nan 0.000 0.450 342 C N -1.790 117.340 119.300 -0.283 0.000 3.188 342 C HA 0.165 4.625 4.460 0.000 0.000 0.315 342 C C 1.866 176.655 174.990 -0.335 0.000 1.285 342 C CA -0.521 58.295 59.018 -0.335 0.000 1.729 342 C CB -0.435 26.973 27.740 -0.553 0.000 2.257 342 C HN 0.562 nan 8.230 nan 0.000 0.645 343 C N 1.055 120.155 119.300 -0.334 0.000 2.884 343 C HA 0.206 4.666 4.460 0.000 0.000 0.287 343 C C 0.611 175.530 174.990 -0.118 0.000 1.310 343 C CA -0.174 58.710 59.018 -0.224 0.000 1.725 343 C CB -1.708 25.899 27.740 -0.222 0.000 2.060 343 C HN 0.607 nan 8.230 nan 0.000 0.618 344 Q N 0.292 120.056 119.800 -0.060 0.000 2.271 344 Q HA 0.346 4.687 4.340 0.000 0.000 0.258 344 Q C -0.468 175.545 176.000 0.023 0.000 0.936 344 Q CA -0.114 55.708 55.803 0.032 0.000 0.909 344 Q CB 1.828 30.643 28.738 0.128 0.000 1.253 344 Q HN 0.447 nan 8.270 nan 0.000 0.440 345 C N 5.030 124.342 119.300 0.019 0.000 2.415 345 C HA 0.307 4.767 4.460 0.000 0.000 0.369 345 C C -0.883 174.101 174.990 -0.010 0.000 1.279 345 C CA -1.938 57.058 59.018 -0.037 0.000 1.886 345 C CB 0.078 27.743 27.740 -0.126 0.000 2.468 345 C HN 0.751 nan 8.230 nan 0.000 0.553 346 P HA -0.110 nan 4.420 nan 0.000 0.218 346 P C 0.996 178.273 177.300 -0.039 0.000 1.146 346 P CA 2.004 65.092 63.100 -0.019 0.000 0.813 346 P CB 0.022 31.714 31.700 -0.014 0.000 0.778 347 A N -0.689 122.097 122.820 -0.056 0.000 2.238 347 A HA 0.473 4.793 4.320 0.000 0.000 0.208 347 A C 1.043 178.584 177.584 -0.070 0.000 1.177 347 A CA 0.667 52.669 52.037 -0.060 0.000 0.804 347 A CB -0.829 18.128 19.000 -0.072 0.000 0.823 347 A HN 0.398 nan 8.150 nan 0.000 0.482 348 G N -2.602 106.154 108.800 -0.072 0.000 2.674 348 G HA2 0.539 4.500 3.960 0.000 0.000 0.686 348 G HA3 0.539 4.500 3.960 0.000 0.000 0.686 348 G C 0.374 175.183 174.900 -0.150 0.000 1.195 348 G CA -0.235 44.873 45.100 0.014 0.000 0.776 348 G HN 2.412 nan 8.290 nan 0.000 0.654 349 G N -1.073 107.839 108.800 0.186 0.000 2.690 349 G HA2 0.368 4.328 3.960 0.000 0.000 0.686 349 G HA3 0.368 4.328 3.960 0.000 0.000 0.686 349 G C -0.617 174.175 174.900 -0.180 0.000 1.277 349 G CA 0.101 45.066 45.100 -0.225 0.000 0.799 349 G HN 1.663 nan 8.290 nan 0.000 0.613 350 L N 0.130 121.241 121.223 -0.187 0.000 2.286 350 L HA 0.984 5.324 4.340 0.000 0.000 0.265 350 L C 0.386 177.200 176.870 -0.095 0.000 1.012 350 L CA -0.979 53.766 54.840 -0.157 0.000 0.818 350 L CB 1.837 43.777 42.059 -0.198 0.000 1.337 350 L HN 1.084 nan 8.230 nan 0.000 0.438 351 L N -3.284 117.878 121.223 -0.102 0.000 2.510 351 L HA 0.678 5.018 4.340 0.000 0.000 0.252 351 L C 0.319 177.035 176.870 -0.256 0.000 1.091 351 L CA -0.666 54.064 54.840 -0.183 0.000 0.888 351 L CB 0.423 42.369 42.059 -0.189 0.000 1.507 351 L HN 0.441 nan 8.230 nan 0.000 0.407 352 D N 0.195 120.250 120.400 -0.575 0.000 2.077 352 D HA -0.085 4.555 4.640 0.000 0.000 0.193 352 D C 0.025 176.304 176.300 -0.036 0.000 0.989 352 D CA 2.395 56.162 54.000 -0.388 0.000 0.831 352 D CB 0.340 40.848 40.800 -0.488 0.000 0.979 352 D HN 0.734 nan 8.370 nan 0.000 0.449 353 K N -1.921 118.449 120.400 -0.051 0.000 2.579 353 K HA 0.515 4.835 4.320 0.000 0.000 0.284 353 K C -3.040 173.542 176.600 -0.031 0.000 0.990 353 K CA -1.726 54.586 56.287 0.042 0.000 0.880 353 K CB 1.373 33.948 32.500 0.126 0.000 1.488 353 K HN -0.289 nan 8.250 nan 0.000 0.425 354 P HA 0.014 nan 4.420 nan 0.000 0.262 354 P C 0.507 177.790 177.300 -0.028 0.000 1.182 354 P CA 1.742 64.819 63.100 -0.038 0.000 0.761 354 P CB 0.553 32.234 31.700 -0.032 0.000 0.795 355 G N 1.564 110.342 108.800 -0.036 0.000 2.254 355 G HA2 -0.175 3.785 3.960 0.000 0.000 0.225 355 G HA3 -0.175 3.785 3.960 0.000 0.000 0.225 355 G C 0.177 175.052 174.900 -0.040 0.000 1.003 355 G CA -0.317 44.765 45.100 -0.030 0.000 0.622 355 G HN 0.472 nan 8.290 nan 0.000 0.507 356 K N 1.401 121.766 120.400 -0.059 0.000 2.090 356 K HA 0.645 4.965 4.320 0.000 0.000 0.250 356 K C 0.708 177.255 176.600 -0.087 0.000 1.004 356 K CA 0.287 56.528 56.287 -0.078 0.000 0.919 356 K CB 1.349 33.776 32.500 -0.121 0.000 1.045 356 K HN 0.617 nan 8.250 nan 0.000 0.471 357 S N 0.291 115.941 115.700 -0.083 0.000 2.617 357 S HA 0.416 4.887 4.470 0.000 0.000 0.283 357 S C 0.146 174.686 174.600 -0.100 0.000 1.189 357 S CA -1.026 57.124 58.200 -0.083 0.000 1.036 357 S CB 1.238 64.403 63.200 -0.058 0.000 1.014 357 S HN 0.564 nan 8.310 nan 0.000 0.522 358 R N 0.425 120.847 120.500 -0.131 0.000 2.694 358 R HA 0.481 4.821 4.340 0.000 0.000 0.268 358 R C -1.063 175.195 176.300 -0.070 0.000 1.061 358 R CA -0.254 55.749 56.100 -0.160 0.000 1.133 358 R CB -0.375 29.711 30.300 -0.357 0.000 1.020 358 R HN 0.838 nan 8.270 nan 0.000 0.475 359 D N 0.158 120.557 120.400 -0.001 0.000 2.622 359 D HA 0.127 4.767 4.640 0.000 0.000 0.255 359 D C -0.325 175.990 176.300 0.025 0.000 1.246 359 D CA -0.841 53.196 54.000 0.060 0.000 0.795 359 D CB 0.153 41.052 40.800 0.165 0.000 1.369 359 D HN 0.389 nan 8.370 nan 0.000 0.425 360 F N -0.687 119.454 119.950 0.318 0.000 2.234 360 F HA -0.061 4.466 4.527 0.000 0.000 0.299 360 F C 2.013 177.708 175.800 -0.174 0.000 1.087 360 F CA 0.678 58.773 58.000 0.159 0.000 1.340 360 F CB -0.371 38.783 39.000 0.257 0.000 1.031 360 F HN 0.488 nan 8.300 nan 0.000 0.500 361 Y N 0.540 120.523 120.300 -0.529 0.000 2.145 361 Y HA -0.288 4.262 4.550 0.000 0.000 0.286 361 Y C 2.405 177.971 175.900 -0.557 0.000 1.145 361 Y CA 2.033 59.401 58.100 -1.219 0.000 1.148 361 Y CB -0.900 36.805 38.460 -1.258 0.000 0.981 361 Y HN 0.059 nan 8.280 nan 0.000 0.507 362 H N -1.178 117.734 119.070 -0.262 0.000 2.462 362 H HA -0.069 4.487 4.556 0.000 0.000 0.292 362 H C 2.155 177.341 175.328 -0.237 0.000 1.049 362 H CA 1.806 57.705 56.048 -0.249 0.000 1.334 362 H CB -0.199 29.516 29.762 -0.079 0.000 1.404 362 H HN 0.307 nan 8.280 nan 0.000 0.544 363 T N -0.519 113.984 114.554 -0.085 0.000 2.746 363 T HA -0.233 4.117 4.350 0.000 0.000 0.267 363 T C 2.344 176.919 174.700 -0.209 0.000 1.039 363 T CA 1.283 63.325 62.100 -0.096 0.000 1.142 363 T CB -0.669 68.243 68.868 0.074 0.000 0.866 363 T HN 0.557 nan 8.240 nan 0.000 0.444 364 C N 0.688 119.793 119.300 -0.324 0.000 2.436 364 C HA -0.107 4.353 4.460 0.000 0.000 0.277 364 C C 2.363 176.961 174.990 -0.652 0.000 1.241 364 C CA 0.563 59.273 59.018 -0.513 0.000 1.721 364 C CB -1.447 25.886 27.740 -0.680 0.000 2.043 364 C HN 0.657 nan 8.230 nan 0.000 0.472 365 Y N -0.130 119.894 120.300 -0.460 0.000 2.314 365 Y HA -0.044 4.506 4.550 0.000 0.000 0.293 365 Y C 2.874 178.619 175.900 -0.259 0.000 1.129 365 Y CA 1.349 59.168 58.100 -0.469 0.000 1.201 365 Y CB -0.616 37.403 38.460 -0.736 0.000 0.999 365 Y HN 0.398 nan 8.280 nan 0.000 0.541 366 C N -0.098 119.141 119.300 -0.101 0.000 2.446 366 C HA -0.134 4.326 4.460 0.000 0.000 0.277 366 C C 2.668 177.628 174.990 -0.049 0.000 1.275 366 C CA 0.876 59.873 59.018 -0.034 0.000 1.727 366 C CB -1.183 26.529 27.740 -0.046 0.000 2.010 366 C HN 0.524 nan 8.230 nan 0.000 0.486 367 L N 0.347 121.497 121.223 -0.122 0.000 2.056 367 L HA -0.112 4.228 4.340 0.000 0.000 0.207 367 L C 2.654 179.480 176.870 -0.074 0.000 1.078 367 L CA 1.308 56.080 54.840 -0.113 0.000 0.749 367 L CB -0.687 41.265 42.059 -0.177 0.000 0.901 367 L HN 0.285 nan 8.230 nan 0.000 0.433 368 S N 0.179 115.812 115.700 -0.113 0.000 2.370 368 S HA -0.149 4.322 4.470 0.000 0.000 0.226 368 S C 2.020 176.720 174.600 0.166 0.000 1.033 368 S CA 1.363 59.560 58.200 -0.004 0.000 1.011 368 S CB -0.638 62.458 63.200 -0.174 0.000 0.852 368 S HN 0.613 nan 8.310 nan 0.000 0.457 369 G N 1.510 110.398 108.800 0.148 0.000 2.408 369 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 369 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 369 G C 1.374 176.366 174.900 0.153 0.000 1.150 369 G CA 0.722 45.903 45.100 0.135 0.000 0.776 369 G HN 0.402 nan 8.290 nan 0.000 0.542 370 L N 1.207 122.502 121.223 0.120 0.000 2.042 370 L HA -0.028 4.312 4.340 0.000 0.000 0.210 370 L C 2.879 179.828 176.870 0.132 0.000 1.076 370 L CA 2.497 57.408 54.840 0.118 0.000 0.749 370 L CB -0.864 41.232 42.059 0.062 0.000 0.893 370 L HN 0.236 nan 8.230 nan 0.000 0.432 371 S N -0.846 114.941 115.700 0.145 0.000 2.368 371 S HA -0.159 4.311 4.470 0.000 0.000 0.225 371 S C 2.068 176.860 174.600 0.320 0.000 1.030 371 S CA 1.594 59.929 58.200 0.225 0.000 0.999 371 S CB -0.423 62.914 63.200 0.228 0.000 0.844 371 S HN 0.490 nan 8.310 nan 0.000 0.459 372 I N 1.467 122.221 120.570 0.306 0.000 2.226 372 I HA -0.147 4.023 4.170 0.000 0.000 0.245 372 I C 2.728 179.170 176.117 0.542 0.000 1.100 372 I CA 1.131 62.651 61.300 0.366 0.000 1.374 372 I CB -0.439 37.666 38.000 0.175 0.000 1.057 372 I HN 0.385 nan 8.210 nan 0.000 0.413 373 A N -0.131 122.973 122.820 0.474 0.000 2.015 373 A HA -0.218 4.102 4.320 0.000 0.000 0.219 373 A C 2.206 179.932 177.584 0.237 0.000 1.163 373 A CA 1.370 53.712 52.037 0.509 0.000 0.646 373 A CB -0.414 18.860 19.000 0.457 0.000 0.806 373 A HN 0.488 nan 8.150 nan 0.000 0.448 374 Q N -1.194 118.652 119.800 0.076 0.000 2.269 374 Q HA -0.001 4.339 4.340 0.000 0.000 0.201 374 Q C -0.319 175.485 176.000 -0.327 0.000 0.946 374 Q CA 0.665 56.332 55.803 -0.228 0.000 0.877 374 Q CB 0.109 28.535 28.738 -0.520 0.000 0.963 374 Q HN 0.869 nan 8.270 nan 0.000 0.472 375 H N -0.954 118.239 119.070 0.206 0.000 2.589 375 H HA 0.320 4.876 4.556 0.000 0.000 0.335 375 H C -1.600 173.854 175.328 0.209 0.000 1.019 375 H CA -0.735 55.407 56.048 0.158 0.000 1.213 375 H CB 1.063 30.917 29.762 0.152 0.000 1.472 375 H HN 0.019 nan 8.280 nan 0.000 0.508 376 F N 2.513 122.367 119.950 -0.160 0.000 2.469 376 F HA 0.718 5.245 4.527 0.000 0.000 0.332 376 F C -0.194 175.389 175.800 -0.361 0.000 1.103 376 F CA -0.382 57.191 58.000 -0.712 0.000 0.979 376 F CB 1.564 39.924 39.000 -1.067 0.000 1.137 376 F HN 0.605 nan 8.300 nan 0.000 0.463 377 G N 2.516 110.556 108.800 -1.266 0.000 2.753 377 G HA2 0.488 4.448 3.960 0.000 0.000 0.295 377 G HA3 0.488 4.448 3.960 0.000 0.000 0.295 377 G C -1.994 172.357 174.900 -0.915 0.000 1.437 377 G CA -0.765 43.880 45.100 -0.757 0.000 1.094 377 G HN 0.793 nan 8.290 nan 0.000 0.540 378 S N 1.248 116.567 115.700 -0.634 0.000 2.653 378 S HA 0.649 5.119 4.470 0.000 0.000 0.268 378 S C 0.763 175.262 174.600 -0.169 0.000 1.153 378 S CA 1.007 58.978 58.200 -0.382 0.000 1.036 378 S CB 0.299 63.295 63.200 -0.340 0.000 1.103 378 S HN 2.681 nan 8.310 nan 0.000 0.466 379 G N 4.095 112.837 108.800 -0.097 0.000 2.536 379 G HA2 -0.149 3.811 3.960 0.000 0.000 0.280 379 G HA3 -0.149 3.811 3.960 0.000 0.000 0.280 379 G C 0.934 175.832 174.900 -0.004 0.000 1.152 379 G CA 0.256 45.355 45.100 -0.002 0.000 0.970 379 G HN 1.877 nan 8.290 nan 0.000 0.549 380 A N -0.887 121.944 122.820 0.018 0.000 2.238 380 A HA 0.659 4.979 4.320 0.000 0.000 0.210 380 A C 1.198 178.790 177.584 0.013 0.000 1.179 380 A CA 1.433 53.480 52.037 0.016 0.000 0.827 380 A CB -0.013 19.004 19.000 0.029 0.000 0.856 380 A HN 0.708 nan 8.150 nan 0.000 0.488 381 M N 0.582 120.193 119.600 0.018 0.000 2.184 381 M HA 0.431 4.911 4.480 0.000 0.000 0.351 381 M C -1.167 175.155 176.300 0.037 0.000 1.395 381 M CA 0.066 55.401 55.300 0.057 0.000 1.117 381 M CB 0.492 33.178 32.600 0.143 0.000 1.708 381 M HN 0.120 nan 8.290 nan 0.000 0.468 382 L N 4.540 125.805 121.223 0.071 0.000 2.409 382 L HA 0.449 4.789 4.340 0.000 0.000 0.272 382 L C -1.299 175.657 176.870 0.145 0.000 0.980 382 L CA -0.387 54.492 54.840 0.065 0.000 0.826 382 L CB 1.801 43.870 42.059 0.018 0.000 1.268 382 L HN 0.661 nan 8.230 nan 0.000 0.407 383 H N 1.574 120.669 119.070 0.043 0.000 3.108 383 H HA 0.541 5.097 4.556 0.000 0.000 0.329 383 H C -1.521 173.757 175.328 -0.084 0.000 0.978 383 H CA -0.479 55.525 56.048 -0.074 0.000 1.413 383 H CB 1.072 30.683 29.762 -0.252 0.000 1.670 383 H HN 0.487 nan 8.280 nan 0.000 0.512 384 D N 3.490 123.624 120.400 -0.443 0.000 2.175 384 D HA 0.360 5.001 4.640 0.000 0.000 0.248 384 D C -0.437 175.586 176.300 -0.462 0.000 1.047 384 D CA -0.366 53.443 54.000 -0.318 0.000 0.883 384 D CB 2.264 42.997 40.800 -0.112 0.000 1.180 384 D HN 0.261 nan 8.370 nan 0.000 0.438 385 V N 2.436 122.171 119.914 -0.299 0.000 2.380 385 V HA 0.140 4.260 4.120 0.000 0.000 0.268 385 V C -0.320 175.685 176.094 -0.148 0.000 1.008 385 V CA -0.686 61.491 62.300 -0.205 0.000 0.823 385 V CB 1.442 33.192 31.823 -0.120 0.000 1.053 385 V HN 0.270 nan 8.190 nan 0.000 0.446 386 V N 5.496 125.331 119.914 -0.132 0.000 2.320 386 V HA 0.333 4.453 4.120 0.000 0.000 0.265 386 V C 0.141 176.202 176.094 -0.056 0.000 1.048 386 V CA -0.408 61.833 62.300 -0.098 0.000 0.865 386 V CB 1.325 33.099 31.823 -0.082 0.000 1.043 386 V HN 0.611 nan 8.190 nan 0.000 0.474 387 L N 5.733 126.932 121.223 -0.039 0.000 2.426 387 L HA 0.748 5.088 4.340 0.000 0.000 0.271 387 L C 0.857 177.719 176.870 -0.014 0.000 1.169 387 L CA 1.974 56.800 54.840 -0.024 0.000 0.836 387 L CB 0.440 42.490 42.059 -0.016 0.000 1.112 387 L HN 0.935 nan 8.230 nan 0.000 0.465 388 G N 2.696 111.491 108.800 -0.007 0.000 2.568 388 G HA2 -0.101 3.859 3.960 0.000 0.000 0.222 388 G HA3 -0.101 3.859 3.960 0.000 0.000 0.222 388 G C -0.350 174.558 174.900 0.013 0.000 1.321 388 G CA -0.359 44.747 45.100 0.010 0.000 0.893 388 G HN 1.596 nan 8.290 nan 0.000 0.569 389 V N -1.402 118.527 119.914 0.026 0.000 2.763 389 V HA 0.452 4.572 4.120 0.000 0.000 0.306 389 V C -0.417 175.685 176.094 0.014 0.000 1.059 389 V CA 0.102 62.417 62.300 0.025 0.000 1.138 389 V CB 0.825 32.668 31.823 0.033 0.000 0.940 389 V HN 0.596 nan 8.190 nan 0.000 0.489 390 P HA -0.125 nan 4.420 nan 0.000 0.217 390 P C 1.186 178.492 177.300 0.010 0.000 1.148 390 P CA 1.522 64.625 63.100 0.005 0.000 0.828 390 P CB 0.107 31.809 31.700 0.005 0.000 0.783 391 E N -1.243 118.965 120.200 0.014 0.000 2.472 391 E HA -0.114 4.236 4.350 0.000 0.000 0.200 391 E C 1.461 178.074 176.600 0.021 0.000 1.046 391 E CA 0.489 56.898 56.400 0.014 0.000 0.871 391 E CB -0.883 28.824 29.700 0.012 0.000 0.806 391 E HN 0.275 nan 8.360 nan 0.000 0.533 392 N N 0.901 119.614 118.700 0.021 0.000 2.381 392 N HA -0.030 4.710 4.740 0.000 0.000 0.182 392 N C 0.129 175.655 175.510 0.027 0.000 1.025 392 N CA 0.762 53.828 53.050 0.026 0.000 0.888 392 N CB -0.248 38.250 38.487 0.018 0.000 0.965 392 N HN 0.149 nan 8.380 nan 0.000 0.438 393 A N 1.235 124.071 122.820 0.026 0.000 2.561 393 A HA 0.153 4.473 4.320 0.000 0.000 0.251 393 A C 0.363 178.005 177.584 0.097 0.000 1.062 393 A CA 0.200 52.269 52.037 0.054 0.000 0.761 393 A CB -0.364 18.681 19.000 0.075 0.000 0.986 393 A HN 0.235 nan 8.150 nan 0.000 0.510 394 L N 2.044 123.357 121.223 0.150 0.000 2.400 394 L HA 0.309 4.649 4.340 0.000 0.000 0.264 394 L C 0.562 177.551 176.870 0.198 0.000 1.061 394 L CA -1.050 53.875 54.840 0.141 0.000 0.799 394 L CB 0.588 42.711 42.059 0.106 0.000 1.240 394 L HN 0.628 nan 8.230 nan 0.000 0.461 395 Q N 1.924 121.770 119.800 0.076 0.000 2.373 395 Q HA 0.233 4.573 4.340 0.000 0.000 0.255 395 Q C -2.195 173.818 176.000 0.023 0.000 0.980 395 Q CA -1.605 54.208 55.803 0.017 0.000 0.882 395 Q CB 0.476 29.214 28.738 -0.001 0.000 1.249 395 Q HN 0.264 nan 8.270 nan 0.000 0.438 396 P HA 0.038 nan 4.420 nan 0.000 0.272 396 P C -0.410 176.959 177.300 0.115 0.000 1.230 396 P CA -0.094 62.986 63.100 -0.032 0.000 0.788 396 P CB 0.820 32.428 31.700 -0.153 0.000 0.949 397 T N 0.061 114.733 114.554 0.197 0.000 2.893 397 T HA 0.196 4.546 4.350 0.000 0.000 0.291 397 T C -0.747 174.130 174.700 0.295 0.000 1.028 397 T CA -0.514 61.754 62.100 0.279 0.000 0.995 397 T CB 0.403 69.468 68.868 0.329 0.000 1.051 397 T HN 0.377 nan 8.240 nan 0.000 0.470 398 H N 5.655 124.877 119.070 0.254 0.000 2.767 398 H HA 0.250 4.807 4.556 0.000 0.000 0.316 398 H C -1.622 173.902 175.328 0.326 0.000 1.059 398 H CA -1.795 54.418 56.048 0.275 0.000 1.461 398 H CB 1.922 31.881 29.762 0.329 0.000 1.475 398 H HN 0.433 nan 8.280 nan 0.000 0.531 399 P HA -0.128 nan 4.420 nan 0.000 0.222 399 P C 1.316 178.930 177.300 0.523 0.000 1.147 399 P CA 0.546 63.839 63.100 0.322 0.000 0.790 399 P CB 0.659 32.380 31.700 0.035 0.000 0.780 400 V N -1.341 118.905 119.914 0.553 0.000 2.331 400 V HA -0.136 3.984 4.120 0.000 0.000 0.242 400 V C 2.305 178.618 176.094 0.365 0.000 1.034 400 V CA 1.614 64.092 62.300 0.296 0.000 1.027 400 V CB -1.284 30.494 31.823 -0.074 0.000 0.667 400 V HN -0.027 nan 8.190 nan 0.000 0.457 401 Y N -0.597 120.044 120.300 0.568 0.000 2.510 401 Y HA 0.238 4.788 4.550 0.000 0.000 0.273 401 Y C 1.423 177.541 175.900 0.363 0.000 1.119 401 Y CA 0.296 58.642 58.100 0.411 0.000 1.286 401 Y CB -0.070 38.432 38.460 0.070 0.000 1.061 401 Y HN 0.368 nan 8.280 nan 0.000 0.542 402 N N 0.942 119.924 118.700 0.470 0.000 2.740 402 N HA -0.200 4.540 4.740 0.000 0.000 0.248 402 N C -0.887 174.510 175.510 -0.189 0.000 1.062 402 N CA 0.957 54.075 53.050 0.113 0.000 0.704 402 N CB -1.457 36.873 38.487 -0.261 0.000 0.968 402 N HN 0.638 nan 8.380 nan 0.000 0.547 403 I N -4.324 116.292 120.570 0.076 0.000 3.074 403 I HA 0.756 4.926 4.170 0.000 0.000 0.310 403 I C 0.987 177.246 176.117 0.237 0.000 1.153 403 I CA -0.988 60.352 61.300 0.067 0.000 0.993 403 I CB 1.590 39.624 38.000 0.057 0.000 1.237 403 I HN 0.002 nan 8.210 nan 0.000 0.443 404 G N 2.433 111.371 108.800 0.230 0.000 2.391 404 G HA2 0.272 4.232 3.960 0.000 0.000 0.234 404 G HA3 0.272 4.232 3.960 0.000 0.000 0.234 404 G C -2.021 172.995 174.900 0.193 0.000 1.284 404 G CA -0.688 44.529 45.100 0.195 0.000 0.873 404 G HN 0.606 nan 8.290 nan 0.000 0.549 405 P HA -0.114 nan 4.420 nan 0.000 0.216 405 P C 1.608 179.002 177.300 0.156 0.000 1.150 405 P CA 1.466 64.721 63.100 0.259 0.000 0.837 405 P CB 0.195 32.016 31.700 0.202 0.000 0.786 406 D N -0.225 120.238 120.400 0.105 0.000 2.117 406 D HA -0.190 4.450 4.640 0.000 0.000 0.197 406 D C 1.446 177.783 176.300 0.063 0.000 0.987 406 D CA 1.398 55.441 54.000 0.071 0.000 0.829 406 D CB -0.716 40.114 40.800 0.050 0.000 0.961 406 D HN 0.068 nan 8.370 nan 0.000 0.460 407 K N 0.716 121.156 120.400 0.066 0.000 2.057 407 K HA -0.006 4.314 4.320 0.000 0.000 0.206 407 K C 2.508 179.116 176.600 0.014 0.000 1.050 407 K CA 0.379 56.698 56.287 0.054 0.000 0.935 407 K CB -0.790 31.743 32.500 0.056 0.000 0.715 407 K HN 0.192 nan 8.250 nan 0.000 0.439 408 V N 1.965 121.866 119.914 -0.022 0.000 2.295 408 V HA -0.223 3.897 4.120 0.000 0.000 0.246 408 V C 2.402 178.447 176.094 -0.083 0.000 1.049 408 V CA 1.554 63.760 62.300 -0.156 0.000 1.024 408 V CB -0.418 31.268 31.823 -0.228 0.000 0.648 408 V HN 0.173 nan 8.190 nan 0.000 0.447 409 I N -0.410 120.163 120.570 0.006 0.000 2.226 409 I HA -0.316 3.854 4.170 0.000 0.000 0.245 409 I C 2.668 178.791 176.117 0.011 0.000 1.100 409 I CA 1.905 63.221 61.300 0.025 0.000 1.374 409 I CB -0.388 37.646 38.000 0.056 0.000 1.057 409 I HN 0.388 nan 8.210 nan 0.000 0.413 410 Q N 0.872 120.687 119.800 0.024 0.000 2.050 410 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 410 Q C 2.340 178.312 176.000 -0.046 0.000 0.980 410 Q CA 1.947 57.771 55.803 0.035 0.000 0.840 410 Q CB -0.082 28.711 28.738 0.091 0.000 0.898 410 Q HN 0.548 nan 8.270 nan 0.000 0.424 411 A N 0.349 123.126 122.820 -0.072 0.000 1.858 411 A HA -0.204 4.116 4.320 0.000 0.000 0.216 411 A C 2.294 179.816 177.584 -0.105 0.000 1.190 411 A CA 2.204 54.087 52.037 -0.256 0.000 0.617 411 A CB -1.329 17.652 19.000 -0.031 0.000 0.827 411 A HN 0.671 nan 8.150 nan 0.000 0.443 412 T N -3.108 111.426 114.554 -0.034 0.000 2.788 412 T HA -0.150 4.200 4.350 0.000 0.000 0.268 412 T C 1.805 176.515 174.700 0.016 0.000 1.044 412 T CA 2.164 64.276 62.100 0.021 0.000 1.139 412 T CB -1.099 67.761 68.868 -0.013 0.000 0.867 412 T HN 0.318 nan 8.240 nan 0.000 0.454 413 T N 0.712 115.257 114.554 -0.015 0.000 2.708 413 T HA -0.060 4.290 4.350 0.000 0.000 0.266 413 T C 1.458 176.123 174.700 -0.058 0.000 1.037 413 T CA 1.525 63.616 62.100 -0.016 0.000 1.146 413 T CB -0.641 68.227 68.868 0.001 0.000 0.865 413 T HN 0.547 nan 8.240 nan 0.000 0.435 414 Y N 0.844 120.969 120.300 -0.292 0.000 2.114 414 Y HA -0.131 4.420 4.550 0.000 0.000 0.284 414 Y C 1.844 177.496 175.900 -0.413 0.000 1.143 414 Y CA 1.349 59.177 58.100 -0.453 0.000 1.135 414 Y CB -0.549 37.361 38.460 -0.917 0.000 0.980 414 Y HN 0.241 nan 8.280 nan 0.000 0.499 415 F N -0.621 119.262 119.950 -0.113 0.000 2.407 415 F HA -0.131 4.396 4.527 0.000 0.000 0.299 415 F C 2.073 177.802 175.800 -0.117 0.000 1.097 415 F CA 0.551 58.477 58.000 -0.123 0.000 1.422 415 F CB -0.297 38.667 39.000 -0.061 0.000 1.067 415 F HN 0.026 nan 8.300 nan 0.000 0.539 416 L N -0.256 121.001 121.223 0.057 0.000 2.362 416 L HA -0.198 4.142 4.340 0.000 0.000 0.219 416 L C 1.898 178.755 176.870 -0.022 0.000 1.134 416 L CA 1.073 55.930 54.840 0.029 0.000 0.807 416 L CB -0.462 41.611 42.059 0.023 0.000 0.927 416 L HN 0.246 nan 8.230 nan 0.000 0.447 417 Q N -0.376 119.365 119.800 -0.099 0.000 2.451 417 Q HA 0.024 4.364 4.340 0.000 0.000 0.206 417 Q C 0.030 175.961 176.000 -0.114 0.000 0.947 417 Q CA 0.478 56.203 55.803 -0.130 0.000 0.937 417 Q CB 0.352 28.956 28.738 -0.223 0.000 1.025 417 Q HN 0.411 nan 8.270 nan 0.000 0.511 418 K N 1.424 121.781 120.400 -0.073 0.000 2.156 418 K HA 0.398 4.718 4.320 0.000 0.000 0.250 418 K C -2.489 174.121 176.600 0.016 0.000 0.955 418 K CA -2.005 54.266 56.287 -0.026 0.000 0.855 418 K CB 1.251 33.764 32.500 0.023 0.000 1.101 418 K HN -0.124 nan 8.250 nan 0.000 0.434 419 P HA 0.104 nan 4.420 nan 0.000 0.279 419 P C -0.369 176.969 177.300 0.063 0.000 1.252 419 P CA -0.518 62.604 63.100 0.036 0.000 0.811 419 P CB 0.759 32.469 31.700 0.017 0.000 1.035 420 V N 3.411 123.387 119.914 0.102 0.000 2.529 420 V HA 0.050 4.170 4.120 0.000 0.000 0.292 420 V C -1.866 174.298 176.094 0.118 0.000 1.028 420 V CA -1.096 61.282 62.300 0.130 0.000 1.074 420 V CB -0.367 31.600 31.823 0.240 0.000 0.958 420 V HN 0.560 nan 8.190 nan 0.000 0.481 421 P HA 0.040 nan 4.420 nan 0.000 0.253 421 P C 0.951 178.280 177.300 0.048 0.000 1.159 421 P CA 1.481 64.601 63.100 0.032 0.000 0.779 421 P CB -0.023 31.671 31.700 -0.010 0.000 0.745 422 G N 2.178 111.003 108.800 0.043 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 -0.261 174.709 174.900 0.118 0.000 1.012 422 G CA -0.212 44.913 45.100 0.042 0.000 0.749 422 G HN 0.534 nan 8.290 nan 0.000 0.512 423 F N 0.095 120.027 119.950 -0.030 0.000 2.569 423 F HA 0.748 5.275 4.527 0.000 0.000 0.312 423 F C -0.309 175.489 175.800 -0.003 0.000 1.109 423 F CA -1.132 56.859 58.000 -0.015 0.000 0.919 423 F CB 1.738 40.734 39.000 -0.008 0.000 1.211 423 F HN 0.081 nan 8.300 nan 0.000 0.446 424 E N 0.000 119.563 120.200 -1.062 0.000 2.725 424 E HA 0.000 4.350 4.350 0.000 0.000 0.291 424 E CA 0.000 55.980 56.400 -0.700 0.000 0.976 424 E CB 0.000 29.488 29.700 -0.354 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440