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 1v5b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.651 32.600 0.085 0.000 1.302 2 K N 1.717 122.093 120.400 -0.039 0.000 2.259 2 K HA 0.880 5.200 4.320 -0.000 0.000 0.249 2 K C -1.290 175.224 176.600 -0.143 0.000 0.942 2 K CA -0.430 55.807 56.287 -0.084 0.000 0.816 2 K CB 2.269 34.739 32.500 -0.049 0.000 1.155 2 K HN 0.998 nan 8.250 nan 0.000 0.428 3 M N -0.215 119.261 119.600 -0.206 0.000 2.365 3 M HA 0.434 4.914 4.480 -0.000 0.000 0.288 3 M C -1.570 174.629 176.300 -0.170 0.000 1.152 3 M CA -0.840 54.326 55.300 -0.224 0.000 0.948 3 M CB 2.420 34.632 32.600 -0.647 0.000 1.729 3 M HN 0.360 nan 8.290 nan 0.000 0.487 4 K N 3.968 124.348 120.400 -0.034 0.000 2.213 4 K HA 0.786 5.106 4.320 -0.000 0.000 0.270 4 K C -1.330 175.293 176.600 0.037 0.000 1.002 4 K CA -0.491 55.778 56.287 -0.029 0.000 0.868 4 K CB 1.861 34.380 32.500 0.032 0.000 1.093 4 K HN 0.662 nan 8.250 nan 0.000 0.454 5 L N 2.175 123.388 121.223 -0.018 0.000 2.356 5 L HA 0.561 4.901 4.340 -0.000 0.000 0.277 5 L C -0.199 176.761 176.870 0.149 0.000 0.996 5 L CA -1.140 53.757 54.840 0.095 0.000 0.822 5 L CB 1.861 43.984 42.059 0.108 0.000 1.256 5 L HN 0.627 nan 8.230 nan 0.000 0.413 6 A N 3.377 126.293 122.820 0.161 0.000 2.301 6 A HA 0.649 4.969 4.320 -0.000 0.000 0.298 6 A C -0.258 177.416 177.584 0.149 0.000 1.185 6 A CA -0.396 51.731 52.037 0.149 0.000 0.830 6 A CB 0.906 19.992 19.000 0.143 0.000 1.112 6 A HN 0.459 nan 8.150 nan 0.000 0.508 7 V N 4.153 124.150 119.914 0.138 0.000 2.328 7 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 7 V C -0.767 175.367 176.094 0.067 0.000 1.021 7 V CA -0.118 62.246 62.300 0.106 0.000 0.838 7 V CB 0.769 32.650 31.823 0.097 0.000 0.999 7 V HN 0.672 nan 8.190 nan 0.000 0.447 8 L N 9.036 130.293 121.223 0.055 0.000 2.506 8 L HA 0.396 4.736 4.340 -0.000 0.000 0.247 8 L C -1.085 175.798 176.870 0.023 0.000 1.141 8 L CA -1.304 53.556 54.840 0.034 0.000 0.973 8 L CB 1.299 43.378 42.059 0.033 0.000 1.319 8 L HN 0.351 nan 8.230 nan 0.000 0.455 9 P HA -0.077 nan 4.420 nan 0.000 0.216 9 P C 0.837 178.146 177.300 0.016 0.000 1.150 9 P CA 1.487 64.597 63.100 0.017 0.000 0.837 9 P CB 0.674 32.383 31.700 0.015 0.000 0.786 10 G N 0.989 109.792 108.800 0.005 0.000 2.527 10 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.227 10 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.227 10 G C -1.452 173.457 174.900 0.014 0.000 1.291 10 G CA 0.047 45.143 45.100 -0.006 0.000 0.904 10 G HN 0.518 nan 8.290 nan 0.000 0.577 11 D N -0.548 119.875 120.400 0.037 0.000 2.490 11 D HA 0.800 5.440 4.640 -0.000 0.000 0.232 11 D C 0.809 177.186 176.300 0.128 0.000 1.053 11 D CA 0.663 54.726 54.000 0.106 0.000 0.914 11 D CB 1.439 42.340 40.800 0.170 0.000 1.431 11 D HN 2.130 nan 8.370 nan 0.000 0.483 12 G N 0.460 109.342 108.800 0.136 0.000 2.513 12 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.227 12 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.227 12 G C 0.702 175.653 174.900 0.085 0.000 1.176 12 G CA -0.149 45.018 45.100 0.112 0.000 0.967 12 G HN 1.127 nan 8.290 nan 0.000 0.587 13 I N 0.490 121.112 120.570 0.086 0.000 3.291 13 I HA 0.339 4.509 4.170 -0.000 0.000 0.279 13 I C 2.295 178.464 176.117 0.087 0.000 1.294 13 I CA 1.420 62.765 61.300 0.074 0.000 1.428 13 I CB -0.836 37.204 38.000 0.067 0.000 1.070 13 I HN 0.781 nan 8.210 nan 0.000 0.478 14 G N 3.427 112.283 108.800 0.094 0.000 2.628 14 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 14 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 14 G C -0.051 174.879 174.900 0.051 0.000 1.240 14 G CA 1.473 46.618 45.100 0.075 0.000 0.792 14 G HN 0.404 nan 8.290 nan 0.000 0.593 15 P HA -0.102 nan 4.420 nan 0.000 0.217 15 P C 1.350 178.660 177.300 0.015 0.000 1.148 15 P CA 1.614 64.728 63.100 0.023 0.000 0.828 15 P CB -0.032 31.683 31.700 0.025 0.000 0.783 16 E N -0.058 120.156 120.200 0.024 0.000 2.031 16 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 16 E C 2.144 178.752 176.600 0.013 0.000 0.994 16 E CA 1.808 58.216 56.400 0.014 0.000 0.800 16 E CB -0.490 29.221 29.700 0.017 0.000 0.752 16 E HN 0.169 nan 8.360 nan 0.000 0.447 17 V N -0.833 119.102 119.914 0.036 0.000 2.548 17 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 17 V C 2.201 178.311 176.094 0.026 0.000 1.055 17 V CA 1.590 63.917 62.300 0.046 0.000 1.065 17 V CB -0.373 31.516 31.823 0.110 0.000 0.681 17 V HN 0.177 nan 8.190 nan 0.000 0.462 18 M N 1.653 121.263 119.600 0.017 0.000 2.279 18 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 18 M C 1.593 177.865 176.300 -0.047 0.000 1.062 18 M CA 2.235 57.531 55.300 -0.007 0.000 1.099 18 M CB -0.904 31.692 32.600 -0.006 0.000 1.394 18 M HN 0.530 nan 8.290 nan 0.000 0.426 19 D N -0.506 119.868 120.400 -0.043 0.000 2.149 19 D HA 0.015 4.655 4.640 -0.000 0.000 0.201 19 D C 1.894 178.153 176.300 -0.069 0.000 0.972 19 D CA 1.404 55.363 54.000 -0.069 0.000 0.835 19 D CB -0.018 40.753 40.800 -0.050 0.000 0.966 19 D HN 0.418 nan 8.370 nan 0.000 0.476 20 A N 0.688 123.483 122.820 -0.042 0.000 1.877 20 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 20 A C 2.358 179.915 177.584 -0.045 0.000 1.186 20 A CA 2.340 54.355 52.037 -0.037 0.000 0.620 20 A CB -1.154 17.835 19.000 -0.019 0.000 0.822 20 A HN 0.285 nan 8.150 nan 0.000 0.443 21 A N 0.272 123.068 122.820 -0.039 0.000 1.851 21 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 21 A C 2.028 179.559 177.584 -0.087 0.000 1.195 21 A CA 1.764 53.776 52.037 -0.041 0.000 0.622 21 A CB -0.694 18.293 19.000 -0.021 0.000 0.831 21 A HN 0.411 nan 8.150 nan 0.000 0.444 22 I N -0.037 120.435 120.570 -0.163 0.000 2.065 22 I HA -0.345 3.825 4.170 -0.000 0.000 0.236 22 I C 2.607 178.592 176.117 -0.220 0.000 1.028 22 I CA 2.214 63.313 61.300 -0.336 0.000 1.299 22 I CB -1.664 36.071 38.000 -0.442 0.000 1.015 22 I HN 0.410 nan 8.210 nan 0.000 0.396 23 R N 0.188 120.598 120.500 -0.151 0.000 2.143 23 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 23 R C 2.262 178.533 176.300 -0.047 0.000 1.126 23 R CA 2.054 58.103 56.100 -0.085 0.000 0.927 23 R CB -1.072 29.189 30.300 -0.065 0.000 0.860 23 R HN 0.249 nan 8.270 nan 0.000 0.433 24 V N 1.785 121.675 119.914 -0.041 0.000 2.278 24 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 24 V C 2.458 178.548 176.094 -0.006 0.000 1.062 24 V CA 1.999 64.287 62.300 -0.020 0.000 1.038 24 V CB -0.554 31.258 31.823 -0.018 0.000 0.646 24 V HN 0.284 nan 8.190 nan 0.000 0.447 25 L N -0.567 120.655 121.223 -0.001 0.000 1.961 25 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 25 L C 2.620 179.534 176.870 0.073 0.000 1.072 25 L CA 1.854 56.721 54.840 0.045 0.000 0.749 25 L CB -0.755 41.375 42.059 0.120 0.000 0.889 25 L HN 0.234 nan 8.230 nan 0.000 0.432 26 K N -0.743 119.713 120.400 0.095 0.000 2.293 26 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 26 K C 1.942 178.577 176.600 0.059 0.000 1.045 26 K CA 1.766 58.120 56.287 0.113 0.000 0.933 26 K CB -0.385 32.162 32.500 0.078 0.000 0.736 26 K HN 0.415 nan 8.250 nan 0.000 0.463 27 T N 0.516 115.089 114.554 0.031 0.000 2.866 27 T HA -0.026 4.324 4.350 -0.000 0.000 0.250 27 T C 2.045 176.760 174.700 0.025 0.000 1.033 27 T CA 0.649 62.762 62.100 0.021 0.000 1.145 27 T CB 0.054 68.926 68.868 0.007 0.000 0.866 27 T HN -0.079 nan 8.240 nan 0.000 0.434 28 V N 1.960 121.885 119.914 0.018 0.000 2.343 28 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 28 V C 2.301 178.405 176.094 0.016 0.000 1.051 28 V CA 1.335 63.641 62.300 0.010 0.000 1.036 28 V CB -0.667 31.149 31.823 -0.011 0.000 0.654 28 V HN 0.435 nan 8.190 nan 0.000 0.451 29 L N 0.051 121.282 121.223 0.014 0.000 2.642 29 L HA -0.100 4.240 4.340 -0.000 0.000 0.236 29 L C 0.397 177.355 176.870 0.147 0.000 1.169 29 L CA 0.876 55.736 54.840 0.034 0.000 0.851 29 L CB -0.425 41.631 42.059 -0.005 0.000 0.968 29 L HN 0.382 nan 8.230 nan 0.000 0.453 30 D N -1.906 118.547 120.400 0.088 0.000 2.892 30 D HA 0.045 4.685 4.640 -0.000 0.000 0.291 30 D C 0.769 177.103 176.300 0.056 0.000 1.341 30 D CA 0.005 54.046 54.000 0.068 0.000 0.844 30 D CB 0.372 41.198 40.800 0.043 0.000 1.093 30 D HN 0.065 nan 8.370 nan 0.000 0.480 31 N N -0.132 118.618 118.700 0.083 0.000 2.607 31 N HA -0.053 4.687 4.740 -0.000 0.000 0.207 31 N C 0.687 176.240 175.510 0.071 0.000 1.040 31 N CA 0.512 53.601 53.050 0.065 0.000 0.947 31 N CB 0.573 39.098 38.487 0.064 0.000 1.293 31 N HN -0.131 nan 8.380 nan 0.000 0.446 32 D N -0.554 119.929 120.400 0.137 0.000 2.479 32 D HA 0.275 4.915 4.640 -0.000 0.000 0.218 32 D C -0.653 175.552 176.300 -0.158 0.000 1.177 32 D CA 0.255 54.281 54.000 0.043 0.000 0.830 32 D CB 0.283 41.152 40.800 0.116 0.000 1.014 32 D HN 0.460 nan 8.370 nan 0.000 0.503 33 G N 1.744 110.527 108.800 -0.029 0.000 2.920 33 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.210 33 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.210 33 G C -0.824 173.884 174.900 -0.320 0.000 0.806 33 G CA -0.036 45.004 45.100 -0.100 0.000 0.853 33 G HN 0.446 nan 8.290 nan 0.000 0.333 34 H N 0.469 119.501 119.070 -0.063 0.000 2.894 34 H HA 0.543 5.099 4.556 -0.000 0.000 0.367 34 H C -0.222 175.042 175.328 -0.107 0.000 1.144 34 H CA -0.906 55.085 56.048 -0.096 0.000 1.180 34 H CB 1.312 30.993 29.762 -0.136 0.000 1.758 34 H HN 0.527 nan 8.280 nan 0.000 0.541 35 E N 1.304 121.499 120.200 -0.007 0.000 2.194 35 E HA 0.575 4.925 4.350 -0.000 0.000 0.284 35 E C -0.677 175.834 176.600 -0.149 0.000 1.035 35 E CA -0.731 55.631 56.400 -0.064 0.000 0.836 35 E CB 1.162 30.823 29.700 -0.065 0.000 1.070 35 E HN 0.596 nan 8.360 nan 0.000 0.401 36 A N 3.478 126.169 122.820 -0.216 0.000 2.310 36 A HA 0.383 4.703 4.320 -0.000 0.000 0.304 36 A C -0.583 176.638 177.584 -0.605 0.000 1.231 36 A CA -0.669 51.092 52.037 -0.460 0.000 0.799 36 A CB 0.847 19.512 19.000 -0.557 0.000 1.162 36 A HN 0.419 nan 8.150 nan 0.000 0.486 37 V N 3.806 123.430 119.914 -0.485 0.000 2.348 37 V HA 0.322 4.442 4.120 -0.000 0.000 0.270 37 V C -0.718 175.145 176.094 -0.386 0.000 1.037 37 V CA -0.071 62.030 62.300 -0.331 0.000 0.872 37 V CB -0.081 31.656 31.823 -0.144 0.000 1.002 37 V HN 0.667 nan 8.190 nan 0.000 0.464 38 F N 3.119 123.074 119.950 0.009 0.000 2.394 38 F HA 0.536 5.063 4.527 -0.000 0.000 0.340 38 F C 0.526 176.340 175.800 0.023 0.000 1.105 38 F CA -0.532 57.479 58.000 0.017 0.000 1.124 38 F CB 1.094 40.101 39.000 0.011 0.000 1.145 38 F HN 0.463 nan 8.300 nan 0.000 0.505 39 E N 2.493 122.813 120.200 0.199 0.000 2.244 39 E HA 0.329 4.679 4.350 -0.000 0.000 0.260 39 E C -1.244 175.428 176.600 0.120 0.000 0.884 39 E CA -0.785 55.692 56.400 0.128 0.000 0.777 39 E CB 0.791 30.543 29.700 0.087 0.000 1.197 39 E HN 0.645 nan 8.360 nan 0.000 0.416 40 N N 1.762 120.519 118.700 0.095 0.000 2.424 40 N HA 0.604 5.344 4.740 -0.000 0.000 0.257 40 N C -1.124 174.420 175.510 0.056 0.000 1.250 40 N CA 0.069 53.161 53.050 0.071 0.000 0.946 40 N CB 1.561 40.078 38.487 0.050 0.000 1.175 40 N HN 0.503 nan 8.380 nan 0.000 0.477 41 A N 0.540 123.386 122.820 0.045 0.000 2.566 41 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 41 A C -1.441 176.153 177.584 0.016 0.000 1.059 41 A CA -0.630 51.427 52.037 0.033 0.000 0.691 41 A CB 0.607 19.633 19.000 0.043 0.000 1.282 41 A HN 0.430 nan 8.150 nan 0.000 0.401 42 L N 1.454 122.679 121.223 0.002 0.000 2.436 42 L HA 0.691 5.031 4.340 -0.000 0.000 0.265 42 L C -0.184 176.665 176.870 -0.035 0.000 1.168 42 L CA 0.189 55.017 54.840 -0.020 0.000 0.815 42 L CB 1.027 43.069 42.059 -0.029 0.000 1.109 42 L HN 0.682 nan 8.230 nan 0.000 0.462 43 I N 0.884 121.416 120.570 -0.063 0.000 2.753 43 I HA 0.629 4.799 4.170 -0.000 0.000 0.291 43 I C 0.171 176.205 176.117 -0.138 0.000 1.425 43 I CA 0.667 61.921 61.300 -0.077 0.000 1.039 43 I CB 1.469 39.444 38.000 -0.041 0.000 1.349 43 I HN 0.696 nan 8.210 nan 0.000 0.430 44 G N 4.588 113.286 108.800 -0.171 0.000 2.547 44 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.271 44 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.271 44 G C 0.881 175.459 174.900 -0.537 0.000 1.209 44 G CA 0.339 45.279 45.100 -0.267 0.000 0.959 44 G HN 1.687 nan 8.290 nan 0.000 0.563 45 G N -0.006 108.262 108.800 -0.888 0.000 2.513 45 G HA2 0.103 4.063 3.960 -0.000 0.000 0.219 45 G HA3 0.103 4.063 3.960 -0.000 0.000 0.219 45 G C 2.262 176.455 174.900 -1.178 0.000 1.160 45 G CA 3.575 47.360 45.100 -2.192 0.000 0.767 45 G HN 2.065 nan 8.290 nan 0.000 0.571 46 A N 1.146 123.655 122.820 -0.519 0.000 1.873 46 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 46 A C 2.867 180.351 177.584 -0.168 0.000 1.193 46 A CA 2.923 54.849 52.037 -0.185 0.000 0.629 46 A CB -0.982 17.965 19.000 -0.090 0.000 0.826 46 A HN 1.011 nan 8.150 nan 0.000 0.447 47 A N -0.349 122.348 122.820 -0.207 0.000 1.873 47 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 47 A C 2.128 179.622 177.584 -0.149 0.000 1.186 47 A CA 1.351 53.303 52.037 -0.141 0.000 0.616 47 A CB -0.638 18.288 19.000 -0.124 0.000 0.823 47 A HN 0.500 nan 8.150 nan 0.000 0.442 48 I N 0.094 120.506 120.570 -0.264 0.000 2.087 48 I HA -0.374 3.796 4.170 -0.000 0.000 0.240 48 I C 2.160 178.244 176.117 -0.056 0.000 1.054 48 I CA 2.021 63.201 61.300 -0.200 0.000 1.311 48 I CB -0.754 37.009 38.000 -0.394 0.000 1.024 48 I HN 0.306 nan 8.210 nan 0.000 0.402 49 D N 0.731 121.123 120.400 -0.013 0.000 2.156 49 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 49 D C 1.715 178.055 176.300 0.066 0.000 0.998 49 D CA 1.597 55.669 54.000 0.120 0.000 0.842 49 D CB -0.233 40.686 40.800 0.198 0.000 0.974 49 D HN 0.307 nan 8.370 nan 0.000 0.447 50 E N -1.371 118.849 120.200 0.034 0.000 2.394 50 E HA 0.465 4.815 4.350 -0.000 0.000 0.191 50 E C 0.378 176.984 176.600 0.010 0.000 1.044 50 E CA 0.001 56.417 56.400 0.026 0.000 0.939 50 E CB 0.889 30.605 29.700 0.027 0.000 1.089 50 E HN 0.262 nan 8.360 nan 0.000 0.456 51 A N -1.334 121.486 122.820 -0.000 0.000 1.690 51 A HA 0.591 4.911 4.320 -0.000 0.000 0.213 51 A C 1.639 179.220 177.584 -0.005 0.000 1.785 51 A CA 0.430 52.463 52.037 -0.007 0.000 1.230 51 A CB 0.235 19.223 19.000 -0.021 0.000 1.175 51 A HN 0.265 nan 8.150 nan 0.000 0.468 52 G N -1.164 107.629 108.800 -0.012 0.000 2.229 52 G HA2 0.135 4.095 3.960 -0.000 0.000 0.189 52 G HA3 0.135 4.095 3.960 -0.000 0.000 0.189 52 G C 0.257 175.147 174.900 -0.017 0.000 1.000 52 G CA 0.688 45.786 45.100 -0.004 0.000 0.663 52 G HN 1.925 nan 8.290 nan 0.000 0.493 53 T N -2.524 112.007 114.554 -0.038 0.000 3.041 53 T HA 0.655 5.005 4.350 -0.000 0.000 0.321 53 T C -2.601 172.054 174.700 -0.076 0.000 1.184 53 T CA -0.730 61.342 62.100 -0.046 0.000 1.050 53 T CB 3.016 71.867 68.868 -0.028 0.000 1.159 53 T HN -0.007 nan 8.240 nan 0.000 0.469 54 P HA 0.159 nan 4.420 nan 0.000 0.274 54 P C -0.047 177.206 177.300 -0.078 0.000 1.370 54 P CA 0.132 63.160 63.100 -0.120 0.000 0.760 54 P CB -0.192 31.437 31.700 -0.117 0.000 1.308 55 L N -0.706 120.484 121.223 -0.055 0.000 2.338 55 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 55 L C -2.929 173.927 176.870 -0.024 0.000 1.502 55 L CA -1.818 53.002 54.840 -0.033 0.000 0.751 55 L CB 0.757 42.803 42.059 -0.022 0.000 0.926 55 L HN -0.287 nan 8.230 nan 0.000 0.528 56 P HA 0.071 nan 4.420 nan 0.000 0.264 56 P C 0.597 177.893 177.300 -0.007 0.000 1.179 56 P CA 0.264 63.355 63.100 -0.016 0.000 0.763 56 P CB 0.719 32.410 31.700 -0.015 0.000 0.806 57 E N 1.926 122.123 120.200 -0.005 0.000 2.265 57 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 57 E C 1.457 178.058 176.600 0.001 0.000 0.996 57 E CA 1.025 57.423 56.400 -0.003 0.000 0.832 57 E CB -0.013 29.685 29.700 -0.003 0.000 0.756 57 E HN 0.553 nan 8.360 nan 0.000 0.491 58 E N 0.255 120.457 120.200 0.003 0.000 2.152 58 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 58 E C 1.703 178.311 176.600 0.013 0.000 0.983 58 E CA 0.735 57.140 56.400 0.008 0.000 0.818 58 E CB 0.180 29.884 29.700 0.008 0.000 0.758 58 E HN 0.148 nan 8.360 nan 0.000 0.467 59 T N 1.616 116.177 114.554 0.011 0.000 2.777 59 T HA -0.066 4.283 4.350 -0.000 0.000 0.266 59 T C 2.036 176.753 174.700 0.028 0.000 1.040 59 T CA 0.749 62.861 62.100 0.019 0.000 1.141 59 T CB -0.117 68.757 68.868 0.011 0.000 0.868 59 T HN 0.148 nan 8.240 nan 0.000 0.444 60 L N 0.990 122.224 121.223 0.018 0.000 2.046 60 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 60 L C 2.502 179.382 176.870 0.016 0.000 1.077 60 L CA 1.213 56.064 54.840 0.018 0.000 0.747 60 L CB -0.699 41.363 42.059 0.005 0.000 0.896 60 L HN 0.208 nan 8.230 nan 0.000 0.432 61 D N 0.519 120.927 120.400 0.012 0.000 2.092 61 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 61 D C 2.281 178.595 176.300 0.023 0.000 0.994 61 D CA 1.361 55.367 54.000 0.009 0.000 0.828 61 D CB -0.164 40.641 40.800 0.009 0.000 0.963 61 D HN 0.318 nan 8.370 nan 0.000 0.450 62 I N 0.763 121.354 120.570 0.035 0.000 2.208 62 I HA -0.310 3.859 4.170 -0.000 0.000 0.245 62 I C 2.530 178.696 176.117 0.081 0.000 1.097 62 I CA 0.756 62.088 61.300 0.054 0.000 1.363 62 I CB -0.261 37.772 38.000 0.056 0.000 1.051 62 I HN 0.091 nan 8.210 nan 0.000 0.413 63 C N 0.616 119.971 119.300 0.092 0.000 2.453 63 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 63 C C 2.862 177.918 174.990 0.109 0.000 1.262 63 C CA 0.634 59.747 59.018 0.159 0.000 1.718 63 C CB -1.200 26.642 27.740 0.170 0.000 2.031 63 C HN 0.443 nan 8.230 nan 0.000 0.480 64 R N 0.716 121.219 120.500 0.005 0.000 2.139 64 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 64 R C 2.329 178.601 176.300 -0.047 0.000 1.145 64 R CA 1.958 58.007 56.100 -0.084 0.000 0.976 64 R CB -0.403 29.858 30.300 -0.065 0.000 0.866 64 R HN 0.579 nan 8.270 nan 0.000 0.449 65 R N 0.971 121.481 120.500 0.017 0.000 2.334 65 R HA 0.190 4.530 4.340 -0.000 0.000 0.220 65 R C 0.437 176.788 176.300 0.084 0.000 0.917 65 R CA 0.328 56.449 56.100 0.035 0.000 1.073 65 R CB -0.034 30.285 30.300 0.031 0.000 1.056 65 R HN 0.063 nan 8.270 nan 0.000 0.506 66 S N 0.435 116.224 115.700 0.148 0.000 2.593 66 S HA 0.317 4.787 4.470 -0.000 0.000 0.297 66 S C -0.466 174.376 174.600 0.403 0.000 1.112 66 S CA -0.717 57.627 58.200 0.239 0.000 1.043 66 S CB 1.759 65.113 63.200 0.256 0.000 1.054 66 S HN 0.442 nan 8.310 nan 0.000 0.516 67 D N 0.912 121.520 120.400 0.347 0.000 2.349 67 D HA 0.380 5.020 4.640 -0.000 0.000 0.215 67 D C 0.369 176.821 176.300 0.254 0.000 1.016 67 D CA 0.457 54.699 54.000 0.404 0.000 0.870 67 D CB 0.449 41.491 40.800 0.403 0.000 0.917 67 D HN 0.554 nan 8.370 nan 0.000 0.524 68 A N 0.026 122.932 122.820 0.143 0.000 2.567 68 A HA 0.595 4.915 4.320 -0.000 0.000 0.291 68 A C -1.749 175.830 177.584 -0.009 0.000 1.048 68 A CA -0.656 51.302 52.037 -0.131 0.000 0.661 68 A CB 0.831 19.871 19.000 0.068 0.000 1.288 68 A HN 0.005 nan 8.150 nan 0.000 0.424 69 I N 0.954 121.505 120.570 -0.031 0.000 2.499 69 I HA 0.401 4.571 4.170 -0.000 0.000 0.288 69 I C -1.032 175.164 176.117 0.132 0.000 1.048 69 I CA -0.391 60.948 61.300 0.065 0.000 1.062 69 I CB 1.779 39.798 38.000 0.032 0.000 1.238 69 I HN 0.488 nan 8.210 nan 0.000 0.426 70 L N 6.805 128.105 121.223 0.129 0.000 2.296 70 L HA 0.599 4.939 4.340 -0.000 0.000 0.286 70 L C -0.930 175.989 176.870 0.081 0.000 1.023 70 L CA -0.675 54.238 54.840 0.121 0.000 0.812 70 L CB 1.964 44.090 42.059 0.112 0.000 1.223 70 L HN 0.428 nan 8.230 nan 0.000 0.421 71 L N 2.060 123.321 121.223 0.063 0.000 2.436 71 L HA 0.676 5.016 4.340 -0.000 0.000 0.268 71 L C 0.357 177.234 176.870 0.011 0.000 0.974 71 L CA -0.096 54.763 54.840 0.032 0.000 0.826 71 L CB 1.992 44.062 42.059 0.019 0.000 1.291 71 L HN 0.547 nan 8.230 nan 0.000 0.406 72 G N 2.862 111.666 108.800 0.006 0.000 2.535 72 G HA2 0.628 4.588 3.960 -0.000 0.000 0.210 72 G HA3 0.628 4.588 3.960 -0.000 0.000 0.210 72 G C -0.253 174.628 174.900 -0.031 0.000 1.593 72 G CA 0.454 45.553 45.100 -0.003 0.000 0.948 72 G HN 1.074 nan 8.290 nan 0.000 0.476 73 A N -1.919 120.898 122.820 -0.005 0.000 2.597 73 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 73 A C -0.806 176.787 177.584 0.014 0.000 1.057 73 A CA 0.107 52.141 52.037 -0.005 0.000 0.674 73 A CB 0.904 19.905 19.000 0.002 0.000 1.278 73 A HN 1.685 nan 8.150 nan 0.000 0.416 74 V N -1.589 118.333 119.914 0.012 0.000 3.166 74 V HA 1.038 5.158 4.120 -0.000 0.000 0.317 74 V C 0.373 176.501 176.094 0.057 0.000 1.136 74 V CA -0.406 61.899 62.300 0.009 0.000 1.035 74 V CB 1.131 32.934 31.823 -0.033 0.000 1.110 74 V HN 2.902 nan 8.190 nan 0.000 0.450 75 G N -0.718 108.139 108.800 0.095 0.000 3.326 75 G HA2 0.532 4.492 3.960 -0.000 0.000 0.681 75 G HA3 0.532 4.492 3.960 -0.000 0.000 0.681 75 G C -0.365 174.694 174.900 0.264 0.000 1.255 75 G CA -0.094 45.101 45.100 0.158 0.000 0.976 75 G HN 2.273 nan 8.290 nan 0.000 0.563 76 G N 2.499 111.519 108.800 0.366 0.000 2.766 76 G HA2 0.776 4.736 3.960 -0.000 0.000 0.297 76 G HA3 0.776 4.736 3.960 -0.000 0.000 0.297 76 G C -1.459 173.530 174.900 0.147 0.000 1.431 76 G CA -0.366 44.933 45.100 0.332 0.000 1.042 76 G HN 0.401 nan 8.290 nan 0.000 0.542 77 P HA -0.223 nan 4.420 nan 0.000 0.215 77 P C 1.866 179.079 177.300 -0.145 0.000 1.163 77 P CA 1.653 64.725 63.100 -0.047 0.000 0.894 77 P CB 0.278 31.924 31.700 -0.089 0.000 0.791 78 K N -1.278 118.902 120.400 -0.368 0.000 2.218 78 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 78 K C 0.837 177.126 176.600 -0.518 0.000 1.046 78 K CA 1.433 57.367 56.287 -0.589 0.000 0.933 78 K CB -0.309 31.598 32.500 -0.989 0.000 0.728 78 K HN 0.249 nan 8.250 nan 0.000 0.454 79 W N 1.056 122.373 121.300 0.028 0.000 2.966 79 W HA 0.167 4.827 4.660 -0.000 0.000 0.406 79 W C -0.155 176.408 176.519 0.073 0.000 1.027 79 W CA -0.492 56.880 57.345 0.046 0.000 1.930 79 W CB 0.430 29.910 29.460 0.033 0.000 1.144 79 W HN 0.066 nan 8.180 nan 0.000 0.626 80 D N -0.945 119.609 120.400 0.257 0.000 2.339 80 D HA -0.007 4.633 4.640 -0.000 0.000 0.217 80 D C 1.113 177.563 176.300 0.250 0.000 1.050 80 D CA 0.752 54.892 54.000 0.234 0.000 0.856 80 D CB 0.180 41.099 40.800 0.198 0.000 0.922 80 D HN 0.190 nan 8.370 nan 0.000 0.518 81 H N 0.042 119.148 119.070 0.060 0.000 2.654 81 H HA 0.095 4.651 4.556 -0.000 0.000 0.264 81 H C 0.470 175.828 175.328 0.049 0.000 0.954 81 H CA -0.089 55.982 56.048 0.038 0.000 1.199 81 H CB 0.274 30.044 29.762 0.012 0.000 1.446 81 H HN 0.161 nan 8.280 nan 0.000 0.516 82 N N 1.539 120.344 118.700 0.176 0.000 2.379 82 N HA 0.125 4.865 4.740 -0.000 0.000 0.260 82 N C -2.550 173.006 175.510 0.077 0.000 1.254 82 N CA -1.739 51.384 53.050 0.121 0.000 0.958 82 N CB -0.434 38.139 38.487 0.143 0.000 1.208 82 N HN -0.087 nan 8.380 nan 0.000 0.532 83 P HA -0.031 nan 4.420 nan 0.000 0.262 83 P C 0.138 177.457 177.300 0.032 0.000 1.182 83 P CA -0.031 63.088 63.100 0.033 0.000 0.761 83 P CB 0.567 32.283 31.700 0.027 0.000 0.795 84 A N 3.297 126.128 122.820 0.019 0.000 2.148 84 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 84 A C 2.272 179.864 177.584 0.014 0.000 1.161 84 A CA 2.033 54.080 52.037 0.016 0.000 0.662 84 A CB -1.061 17.942 19.000 0.005 0.000 0.799 84 A HN 0.592 nan 8.150 nan 0.000 0.466 85 S N -1.777 113.931 115.700 0.013 0.000 2.575 85 S HA 0.355 4.825 4.470 -0.000 0.000 0.215 85 S C 0.581 175.186 174.600 0.009 0.000 0.966 85 S CA -0.036 58.170 58.200 0.009 0.000 0.911 85 S CB -0.203 63.002 63.200 0.008 0.000 0.780 85 S HN 0.431 nan 8.310 nan 0.000 0.514 86 L N 1.849 123.081 121.223 0.016 0.000 2.980 86 L HA 0.435 4.775 4.340 -0.000 0.000 0.314 86 L C -0.403 176.479 176.870 0.020 0.000 1.303 86 L CA -0.234 54.613 54.840 0.012 0.000 0.785 86 L CB 0.581 42.653 42.059 0.022 0.000 1.190 86 L HN -0.019 nan 8.230 nan 0.000 0.567 87 R N -0.280 120.230 120.500 0.017 0.000 2.732 87 R HA 0.425 4.765 4.340 -0.000 0.000 0.278 87 R C -1.717 174.571 176.300 -0.020 0.000 0.976 87 R CA -1.782 54.338 56.100 0.034 0.000 0.963 87 R CB 1.173 31.509 30.300 0.060 0.000 1.150 87 R HN -0.228 nan 8.270 nan 0.000 0.478 88 P HA -0.247 nan 4.420 nan 0.000 0.217 88 P C 0.304 177.573 177.300 -0.051 0.000 1.158 88 P CA 1.516 64.553 63.100 -0.106 0.000 0.887 88 P CB 0.293 31.949 31.700 -0.073 0.000 0.792 89 E N -0.582 119.614 120.200 -0.006 0.000 2.153 89 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 89 E C 1.857 178.458 176.600 0.000 0.000 0.988 89 E CA 1.125 57.527 56.400 0.003 0.000 0.811 89 E CB -0.634 29.078 29.700 0.020 0.000 0.746 89 E HN 0.190 nan 8.360 nan 0.000 0.466 90 K N 0.681 121.079 120.400 -0.003 0.000 2.211 90 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 90 K C 1.939 178.535 176.600 -0.006 0.000 1.050 90 K CA 1.503 57.789 56.287 -0.000 0.000 0.945 90 K CB -0.689 31.811 32.500 -0.001 0.000 0.732 90 K HN 0.152 nan 8.250 nan 0.000 0.451 91 G N 0.800 109.587 108.800 -0.022 0.000 2.422 91 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 91 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 91 G C 1.493 176.386 174.900 -0.012 0.000 1.146 91 G CA 0.859 45.943 45.100 -0.026 0.000 0.769 91 G HN 0.291 nan 8.290 nan 0.000 0.547 92 L N -0.160 121.058 121.223 -0.008 0.000 1.988 92 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 92 L C 2.910 179.790 176.870 0.017 0.000 1.071 92 L CA 0.678 55.520 54.840 0.003 0.000 0.744 92 L CB -0.390 41.670 42.059 0.002 0.000 0.893 92 L HN 0.170 nan 8.230 nan 0.000 0.433 93 L N -0.563 120.676 121.223 0.027 0.000 2.189 93 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 93 L C 2.521 179.413 176.870 0.036 0.000 1.097 93 L CA 1.276 56.145 54.840 0.048 0.000 0.764 93 L CB -1.079 41.018 42.059 0.063 0.000 0.900 93 L HN 0.371 nan 8.230 nan 0.000 0.436 94 G N -0.042 108.769 108.800 0.019 0.000 2.394 94 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.214 94 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.214 94 G C 1.526 176.433 174.900 0.010 0.000 1.176 94 G CA 0.349 45.454 45.100 0.009 0.000 0.786 94 G HN 0.220 nan 8.290 nan 0.000 0.533 95 L N 0.923 122.155 121.223 0.014 0.000 2.191 95 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 95 L C 2.689 179.579 176.870 0.034 0.000 1.103 95 L CA 1.840 56.695 54.840 0.025 0.000 0.769 95 L CB -0.397 41.678 42.059 0.025 0.000 0.908 95 L HN 0.259 nan 8.230 nan 0.000 0.438 96 R N 0.522 121.039 120.500 0.029 0.000 2.075 96 R HA -0.222 4.118 4.340 -0.000 0.000 0.230 96 R C 2.389 178.707 176.300 0.029 0.000 1.140 96 R CA 2.469 58.589 56.100 0.033 0.000 0.928 96 R CB -0.700 29.627 30.300 0.045 0.000 0.834 96 R HN 0.441 nan 8.270 nan 0.000 0.429 97 K N -0.292 120.114 120.400 0.011 0.000 2.103 97 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 97 K C 1.962 178.556 176.600 -0.009 0.000 1.052 97 K CA 1.620 57.895 56.287 -0.019 0.000 0.945 97 K CB -0.158 32.300 32.500 -0.070 0.000 0.722 97 K HN 0.189 nan 8.250 nan 0.000 0.443 98 E N 0.380 120.578 120.200 -0.003 0.000 2.219 98 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 98 E C 1.417 178.017 176.600 -0.000 0.000 0.998 98 E CA 1.440 57.837 56.400 -0.005 0.000 0.818 98 E CB 0.050 29.749 29.700 -0.000 0.000 0.741 98 E HN 0.325 nan 8.360 nan 0.000 0.477 99 M N -1.472 118.147 119.600 0.031 0.000 2.495 99 M HA 0.255 4.735 4.480 -0.000 0.000 0.237 99 M C 1.257 177.592 176.300 0.058 0.000 1.131 99 M CA 0.886 56.219 55.300 0.054 0.000 1.032 99 M CB -0.124 32.592 32.600 0.193 0.000 1.513 99 M HN 0.260 nan 8.290 nan 0.000 0.488 100 G N 2.229 111.058 108.800 0.048 0.000 2.198 100 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 100 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 100 G C -0.004 174.973 174.900 0.130 0.000 1.025 100 G CA -0.054 45.093 45.100 0.077 0.000 0.769 100 G HN 0.451 nan 8.290 nan 0.000 0.507 101 L N -0.094 121.177 121.223 0.080 0.000 2.360 101 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 101 L C 1.577 178.477 176.870 0.050 0.000 1.121 101 L CA -0.505 54.333 54.840 -0.003 0.000 0.845 101 L CB 0.360 42.387 42.059 -0.053 0.000 1.143 101 L HN 0.314 nan 8.230 nan 0.000 0.452 102 F N 0.879 120.837 119.950 0.012 0.000 2.746 102 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 102 F C 0.529 176.346 175.800 0.029 0.000 1.095 102 F CA -0.697 57.322 58.000 0.032 0.000 1.224 102 F CB 0.161 39.182 39.000 0.034 0.000 1.060 102 F HN 0.261 nan 8.300 nan 0.000 0.584 103 A N 1.516 124.070 122.820 -0.444 0.000 2.330 103 A HA 0.609 4.929 4.320 -0.000 0.000 0.313 103 A C -1.353 176.100 177.584 -0.218 0.000 1.124 103 A CA -0.604 51.272 52.037 -0.268 0.000 0.774 103 A CB 0.547 19.281 19.000 -0.444 0.000 1.198 103 A HN 0.343 nan 8.150 nan 0.000 0.465 104 N N 1.760 120.395 118.700 -0.108 0.000 2.372 104 N HA 0.633 5.372 4.740 -0.000 0.000 0.291 104 N C -1.418 174.026 175.510 -0.109 0.000 1.024 104 N CA -0.300 52.684 53.050 -0.111 0.000 0.873 104 N CB 0.839 39.296 38.487 -0.051 0.000 1.206 104 N HN 0.391 nan 8.380 nan 0.000 0.486 105 L N 2.744 123.885 121.223 -0.137 0.000 2.346 105 L HA 0.604 4.944 4.340 -0.000 0.000 0.274 105 L C -0.085 176.755 176.870 -0.050 0.000 1.007 105 L CA -0.342 54.431 54.840 -0.111 0.000 0.818 105 L CB 1.804 43.752 42.059 -0.186 0.000 1.284 105 L HN 0.555 nan 8.230 nan 0.000 0.424 106 R N 2.636 123.124 120.500 -0.020 0.000 2.921 106 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 106 R C -2.686 173.627 176.300 0.021 0.000 1.696 106 R CA -1.228 54.878 56.100 0.010 0.000 1.161 106 R CB 1.759 32.061 30.300 0.003 0.000 1.337 106 R HN 0.359 nan 8.270 nan 0.000 0.496 107 P HA 0.163 nan 4.420 nan 0.000 0.280 107 P C -0.561 176.764 177.300 0.043 0.000 1.244 107 P CA -0.291 62.838 63.100 0.050 0.000 0.784 107 P CB 1.878 33.627 31.700 0.082 0.000 0.913 108 V N 4.435 124.365 119.914 0.025 0.000 2.443 108 V HA 0.375 4.495 4.120 -0.000 0.000 0.293 108 V C 0.212 176.293 176.094 -0.023 0.000 1.021 108 V CA -0.409 61.901 62.300 0.015 0.000 0.848 108 V CB 1.639 33.475 31.823 0.021 0.000 0.998 108 V HN 0.555 nan 8.190 nan 0.000 0.424 109 K N 4.263 124.614 120.400 -0.082 0.000 2.463 109 K HA 0.789 5.109 4.320 -0.000 0.000 0.255 109 K C -0.222 176.171 176.600 -0.345 0.000 0.942 109 K CA -0.455 55.713 56.287 -0.198 0.000 0.814 109 K CB 1.878 34.226 32.500 -0.253 0.000 1.122 109 K HN 0.771 nan 8.250 nan 0.000 0.425 110 A N 3.692 126.368 122.820 -0.239 0.000 2.425 110 A HA 0.277 4.597 4.320 -0.000 0.000 0.249 110 A C -1.243 176.144 177.584 -0.328 0.000 1.084 110 A CA 0.021 51.946 52.037 -0.188 0.000 0.781 110 A CB -0.034 18.922 19.000 -0.072 0.000 1.019 110 A HN 0.666 nan 8.150 nan 0.000 0.490 111 Y N 1.213 121.524 120.300 0.018 0.000 2.328 111 Y HA 0.436 4.986 4.550 -0.000 0.000 0.337 111 Y C 1.314 177.221 175.900 0.010 0.000 0.966 111 Y CA 0.088 58.197 58.100 0.015 0.000 1.136 111 Y CB 1.694 40.164 38.460 0.016 0.000 1.170 111 Y HN 0.812 nan 8.280 nan 0.000 0.470 112 A N 1.707 124.611 122.820 0.140 0.000 2.093 112 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 112 A C 1.655 179.287 177.584 0.080 0.000 1.162 112 A CA 2.219 54.305 52.037 0.082 0.000 0.655 112 A CB -0.824 18.212 19.000 0.060 0.000 0.805 112 A HN 0.770 nan 8.150 nan 0.000 0.461 113 T N -3.721 110.899 114.554 0.109 0.000 3.214 113 T HA 0.605 4.955 4.350 -0.000 0.000 0.264 113 T C 0.491 175.227 174.700 0.059 0.000 1.012 113 T CA -0.040 62.096 62.100 0.060 0.000 0.901 113 T CB -0.094 68.792 68.868 0.030 0.000 1.070 113 T HN 0.255 nan 8.240 nan 0.000 0.561 114 L N -0.052 121.228 121.223 0.096 0.000 3.520 114 L HA 0.407 4.746 4.340 -0.000 0.000 0.323 114 L C 1.570 178.486 176.870 0.076 0.000 1.246 114 L CA -0.078 54.813 54.840 0.085 0.000 1.085 114 L CB 0.222 42.359 42.059 0.129 0.000 1.477 114 L HN 0.177 nan 8.230 nan 0.000 0.624 115 L N -0.128 121.134 121.223 0.065 0.000 2.191 115 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 115 L C 1.637 178.527 176.870 0.033 0.000 1.103 115 L CA 1.454 56.322 54.840 0.046 0.000 0.769 115 L CB -0.470 41.610 42.059 0.035 0.000 0.908 115 L HN 0.427 nan 8.230 nan 0.000 0.438 116 N N -0.001 118.717 118.700 0.029 0.000 2.453 116 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 116 N C 1.846 177.369 175.510 0.022 0.000 1.041 116 N CA 0.949 54.011 53.050 0.021 0.000 0.900 116 N CB -0.007 38.490 38.487 0.016 0.000 0.961 116 N HN 0.299 nan 8.380 nan 0.000 0.443 117 A N -0.209 122.629 122.820 0.029 0.000 1.929 117 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 117 A C 1.318 178.920 177.584 0.030 0.000 1.176 117 A CA 0.415 52.469 52.037 0.030 0.000 0.628 117 A CB -0.452 18.571 19.000 0.038 0.000 0.816 117 A HN 0.252 nan 8.150 nan 0.000 0.444 118 S N 0.285 116.005 115.700 0.033 0.000 2.549 118 S HA 0.239 4.708 4.470 -0.000 0.000 0.286 118 S C -1.646 172.967 174.600 0.022 0.000 1.314 118 S CA -0.891 57.327 58.200 0.029 0.000 1.062 118 S CB 0.656 63.873 63.200 0.030 0.000 0.865 118 S HN 0.189 nan 8.310 nan 0.000 0.498 119 P HA 0.163 nan 4.420 nan 0.000 0.245 119 P C -0.327 176.981 177.300 0.014 0.000 1.212 119 P CA 0.324 63.434 63.100 0.016 0.000 0.774 119 P CB 0.164 31.873 31.700 0.016 0.000 0.999 120 L N -0.191 121.042 121.223 0.016 0.000 2.387 120 L HA 0.311 4.651 4.340 -0.000 0.000 0.266 120 L C 0.790 177.667 176.870 0.011 0.000 1.059 120 L CA -0.720 54.128 54.840 0.013 0.000 0.801 120 L CB 0.935 43.003 42.059 0.015 0.000 1.223 120 L HN -0.120 nan 8.230 nan 0.000 0.456 121 K N 0.837 121.241 120.400 0.008 0.000 2.174 121 K HA 0.271 4.591 4.320 -0.000 0.000 0.275 121 K C 0.988 177.591 176.600 0.005 0.000 1.015 121 K CA -0.551 55.739 56.287 0.006 0.000 0.933 121 K CB 1.476 33.978 32.500 0.003 0.000 1.025 121 K HN 0.430 nan 8.250 nan 0.000 0.463 122 R N 1.932 122.435 120.500 0.006 0.000 2.162 122 R HA -0.277 4.063 4.340 -0.000 0.000 0.245 122 R C 1.542 177.842 176.300 -0.000 0.000 1.129 122 R CA 2.164 58.267 56.100 0.005 0.000 0.940 122 R CB -0.375 29.928 30.300 0.005 0.000 0.875 122 R HN 0.627 nan 8.270 nan 0.000 0.437 123 E N -0.105 120.093 120.200 -0.002 0.000 2.253 123 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 123 E C 1.926 178.520 176.600 -0.010 0.000 1.014 123 E CA 1.536 57.932 56.400 -0.007 0.000 0.823 123 E CB -0.103 29.593 29.700 -0.007 0.000 0.736 123 E HN 0.378 nan 8.360 nan 0.000 0.478 124 R N -0.713 119.783 120.500 -0.006 0.000 2.142 124 R HA 0.179 4.519 4.340 -0.000 0.000 0.204 124 R C 2.326 178.623 176.300 -0.004 0.000 1.059 124 R CA 0.595 56.691 56.100 -0.007 0.000 1.055 124 R CB -0.202 30.097 30.300 -0.003 0.000 0.976 124 R HN 0.092 nan 8.270 nan 0.000 0.483 125 V N 1.791 121.706 119.914 0.002 0.000 2.591 125 V HA -0.052 4.068 4.120 -0.000 0.000 0.249 125 V C 0.559 176.651 176.094 -0.004 0.000 1.053 125 V CA 1.073 63.376 62.300 0.005 0.000 1.068 125 V CB -0.101 31.729 31.823 0.012 0.000 0.689 125 V HN 0.227 nan 8.190 nan 0.000 0.462 126 E N 0.727 120.924 120.200 -0.005 0.000 2.494 126 E HA -0.068 4.282 4.350 -0.000 0.000 0.262 126 E C 0.430 177.017 176.600 -0.021 0.000 1.294 126 E CA 0.527 56.920 56.400 -0.012 0.000 1.062 126 E CB -0.124 29.571 29.700 -0.008 0.000 0.982 126 E HN 0.561 nan 8.360 nan 0.000 0.495 127 N N -1.667 117.017 118.700 -0.027 0.000 2.666 127 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 127 N C -0.892 174.598 175.510 -0.034 0.000 1.118 127 N CA 0.559 53.590 53.050 -0.031 0.000 0.722 127 N CB -1.431 37.040 38.487 -0.027 0.000 1.050 127 N HN 0.072 nan 8.380 nan 0.000 0.550 128 V N 0.537 120.428 119.914 -0.038 0.000 2.481 128 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 128 V C 0.211 176.277 176.094 -0.046 0.000 1.042 128 V CA -0.240 62.044 62.300 -0.026 0.000 0.928 128 V CB 2.004 33.821 31.823 -0.010 0.000 0.986 128 V HN 0.244 nan 8.190 nan 0.000 0.462 129 D N 3.754 124.143 120.400 -0.018 0.000 2.400 129 D HA 0.518 5.158 4.640 -0.000 0.000 0.197 129 D C -1.123 175.189 176.300 0.019 0.000 1.295 129 D CA -0.339 53.648 54.000 -0.022 0.000 0.878 129 D CB 0.962 41.740 40.800 -0.036 0.000 1.659 129 D HN 0.410 nan 8.370 nan 0.000 0.546 130 L N 0.742 121.982 121.223 0.029 0.000 2.816 130 L HA 0.941 5.281 4.340 -0.000 0.000 0.262 130 L C -1.543 175.347 176.870 0.033 0.000 1.106 130 L CA -0.953 53.917 54.840 0.050 0.000 0.973 130 L CB 1.216 43.329 42.059 0.091 0.000 1.570 130 L HN 0.078 nan 8.230 nan 0.000 0.379 131 V N 0.968 120.893 119.914 0.018 0.000 2.891 131 V HA 0.567 4.687 4.120 -0.000 0.000 0.304 131 V C -1.109 174.964 176.094 -0.035 0.000 1.171 131 V CA -0.327 61.974 62.300 0.002 0.000 0.943 131 V CB 1.951 33.783 31.823 0.016 0.000 1.037 131 V HN 0.626 nan 8.190 nan 0.000 0.427 132 I N 4.074 124.619 120.570 -0.041 0.000 2.336 132 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 132 I C -0.109 175.978 176.117 -0.051 0.000 0.991 132 I CA -0.744 60.520 61.300 -0.061 0.000 1.227 132 I CB 1.644 39.607 38.000 -0.060 0.000 1.366 132 I HN 0.299 nan 8.210 nan 0.000 0.466 133 V N 7.291 127.178 119.914 -0.046 0.000 2.311 133 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 133 V C 0.429 176.530 176.094 0.012 0.000 1.022 133 V CA -0.767 61.514 62.300 -0.032 0.000 0.830 133 V CB 1.305 33.109 31.823 -0.032 0.000 1.012 133 V HN 0.673 nan 8.190 nan 0.000 0.452 134 R N 3.963 124.467 120.500 0.007 0.000 2.265 134 R HA 0.316 4.656 4.340 -0.000 0.000 0.328 134 R C 0.057 176.407 176.300 0.084 0.000 0.969 134 R CA -0.529 55.590 56.100 0.032 0.000 0.832 134 R CB 1.003 31.305 30.300 0.003 0.000 1.139 134 R HN 0.709 nan 8.270 nan 0.000 0.457 135 E N 4.442 124.733 120.200 0.153 0.000 2.415 135 E HA -0.052 4.298 4.350 -0.000 0.000 0.262 135 E C -0.204 176.525 176.600 0.215 0.000 1.038 135 E CA 0.373 56.919 56.400 0.243 0.000 0.921 135 E CB 0.806 30.697 29.700 0.317 0.000 0.950 135 E HN 0.711 nan 8.360 nan 0.000 0.438 136 L N 2.835 124.225 121.223 0.279 0.000 3.184 136 L HA 0.124 4.464 4.340 -0.000 0.000 0.283 136 L C 1.071 178.195 176.870 0.423 0.000 1.218 136 L CA 0.352 55.367 54.840 0.291 0.000 1.028 136 L CB 0.461 42.653 42.059 0.221 0.000 1.400 136 L HN 0.511 nan 8.230 nan 0.000 0.591 137 T N -4.292 110.506 114.554 0.407 0.000 3.058 137 T HA 0.398 4.748 4.350 -0.000 0.000 0.278 137 T C 0.656 175.589 174.700 0.388 0.000 0.974 137 T CA 0.252 62.558 62.100 0.343 0.000 0.893 137 T CB 1.071 70.030 68.868 0.152 0.000 1.138 137 T HN 0.163 nan 8.240 nan 0.000 0.529 138 G N -0.049 108.922 108.800 0.285 0.000 3.252 138 G HA2 0.708 4.668 3.960 -0.000 0.000 0.181 138 G HA3 0.708 4.668 3.960 -0.000 0.000 0.181 138 G C 0.299 174.892 174.900 -0.511 0.000 1.187 138 G CA -0.263 44.612 45.100 -0.375 0.000 0.886 138 G HN 0.998 nan 8.290 nan 0.000 0.615 139 G N -1.766 106.439 108.800 -0.992 0.000 2.741 139 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.222 139 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.222 139 G C 0.647 175.369 174.900 -0.296 0.000 1.364 139 G CA -0.098 44.687 45.100 -0.524 0.000 0.866 139 G HN 1.019 nan 8.290 nan 0.000 0.555 140 L N -0.709 120.405 121.223 -0.182 0.000 2.191 140 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 140 L C 2.837 179.695 176.870 -0.020 0.000 1.103 140 L CA 1.968 56.768 54.840 -0.066 0.000 0.769 140 L CB -1.834 40.218 42.059 -0.012 0.000 0.908 140 L HN 0.634 nan 8.230 nan 0.000 0.438 141 Y N 0.175 120.250 120.300 -0.375 0.000 2.139 141 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 141 Y C 1.174 176.664 175.900 -0.684 0.000 1.179 141 Y CA 0.616 58.341 58.100 -0.625 0.000 1.161 141 Y CB -0.675 37.227 38.460 -0.930 0.000 0.970 141 Y HN 0.054 nan 8.280 nan 0.000 0.511 142 F N -0.563 119.421 119.950 0.057 0.000 2.622 142 F HA 0.611 5.138 4.527 -0.000 0.000 0.338 142 F C 0.471 176.234 175.800 -0.062 0.000 1.334 142 F CA -1.158 56.837 58.000 -0.009 0.000 1.179 142 F CB 0.960 39.957 39.000 -0.006 0.000 1.471 142 F HN -0.159 nan 8.300 nan 0.000 0.576 143 G N 1.609 110.448 108.800 0.065 0.000 2.732 143 G HA2 0.661 4.621 3.960 -0.000 0.000 0.295 143 G HA3 0.661 4.621 3.960 -0.000 0.000 0.295 143 G C -1.003 173.901 174.900 0.007 0.000 1.456 143 G CA -0.793 44.311 45.100 0.007 0.000 1.050 143 G HN 0.015 nan 8.290 nan 0.000 0.525 144 R N 1.795 122.300 120.500 0.008 0.000 2.732 144 R HA 0.590 4.930 4.340 -0.000 0.000 0.278 144 R C -2.204 174.095 176.300 -0.002 0.000 0.976 144 R CA -1.753 54.350 56.100 0.005 0.000 0.963 144 R CB 2.050 32.356 30.300 0.010 0.000 1.150 144 R HN 0.513 nan 8.270 nan 0.000 0.478 145 P HA 0.112 nan 4.420 nan 0.000 0.272 145 P C -0.643 176.653 177.300 -0.006 0.000 1.240 145 P CA -0.212 62.887 63.100 -0.003 0.000 0.791 145 P CB 0.940 32.637 31.700 -0.004 0.000 0.978 146 S N 0.480 116.177 115.700 -0.006 0.000 2.357 146 S HA 0.377 4.847 4.470 -0.000 0.000 0.209 146 S C -0.982 173.611 174.600 -0.011 0.000 0.981 146 S CA -0.544 57.649 58.200 -0.011 0.000 1.106 146 S CB -0.200 62.992 63.200 -0.013 0.000 1.266 146 S HN 0.751 nan 8.310 nan 0.000 0.410 147 E N 2.938 123.132 120.200 -0.011 0.000 2.388 147 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 147 E C -1.582 175.012 176.600 -0.010 0.000 1.172 147 E CA -0.865 55.529 56.400 -0.011 0.000 0.887 147 E CB 0.470 30.165 29.700 -0.008 0.000 1.544 147 E HN 0.511 nan 8.360 nan 0.000 0.451 148 R N 0.545 121.040 120.500 -0.009 0.000 2.404 148 R HA 0.677 5.017 4.340 -0.000 0.000 0.291 148 R C 0.447 176.743 176.300 -0.006 0.000 1.025 148 R CA -0.392 55.703 56.100 -0.008 0.000 0.991 148 R CB 1.378 31.673 30.300 -0.008 0.000 1.053 148 R HN 0.672 nan 8.270 nan 0.000 0.479 149 R N 0.081 120.578 120.500 -0.006 0.000 3.006 149 R HA 0.681 5.021 4.340 -0.000 0.000 0.261 149 R C -0.467 175.831 176.300 -0.004 0.000 1.113 149 R CA -0.587 55.510 56.100 -0.004 0.000 0.973 149 R CB 0.200 30.498 30.300 -0.004 0.000 1.341 149 R HN 0.698 nan 8.270 nan 0.000 0.437 150 G N 0.228 109.026 108.800 -0.003 0.000 2.855 150 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.352 150 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.352 150 G C -2.488 172.410 174.900 -0.003 0.000 1.415 150 G CA -0.408 44.691 45.100 -0.003 0.000 0.871 150 G HN 0.675 nan 8.290 nan 0.000 0.543 151 P HA 0.317 nan 4.420 nan 0.000 0.265 151 P C 1.153 178.451 177.300 -0.003 0.000 1.193 151 P CA 1.666 64.764 63.100 -0.002 0.000 0.765 151 P CB 0.519 32.218 31.700 -0.002 0.000 0.823 152 G N 2.417 111.216 108.800 -0.003 0.000 2.180 152 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.263 152 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.263 152 G C 0.371 175.269 174.900 -0.003 0.000 0.989 152 G CA 0.669 45.767 45.100 -0.003 0.000 0.692 152 G HN 0.830 nan 8.290 nan 0.000 0.526 153 E N -0.851 119.347 120.200 -0.004 0.000 2.222 153 E HA -0.238 4.112 4.350 -0.000 0.000 0.189 153 E C 0.220 176.818 176.600 -0.005 0.000 1.415 153 E CA 0.861 57.258 56.400 -0.004 0.000 0.689 153 E CB -1.302 28.396 29.700 -0.005 0.000 1.107 153 E HN 0.612 nan 8.360 nan 0.000 0.350 154 N N 1.587 120.284 118.700 -0.004 0.000 2.234 154 N HA 0.108 4.848 4.740 -0.000 0.000 0.227 154 N C -0.796 174.712 175.510 -0.004 0.000 1.151 154 N CA 0.193 53.241 53.050 -0.004 0.000 0.865 154 N CB 0.564 39.049 38.487 -0.003 0.000 1.066 154 N HN 0.387 nan 8.380 nan 0.000 0.515 155 E N 0.109 120.306 120.200 -0.005 0.000 2.317 155 E HA 0.502 4.852 4.350 -0.000 0.000 0.270 155 E C -1.225 175.371 176.600 -0.006 0.000 0.885 155 E CA -0.710 55.687 56.400 -0.005 0.000 0.760 155 E CB 3.275 32.972 29.700 -0.004 0.000 1.227 155 E HN -0.209 nan 8.360 nan 0.000 0.434 156 V N 1.971 121.881 119.914 -0.007 0.000 3.102 156 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 156 V C -1.511 174.578 176.094 -0.009 0.000 1.135 156 V CA -0.626 61.669 62.300 -0.009 0.000 1.022 156 V CB 2.123 33.940 31.823 -0.011 0.000 1.056 156 V HN 0.566 nan 8.190 nan 0.000 0.436 157 V N 0.971 120.878 119.914 -0.011 0.000 3.077 157 V HA 0.761 4.881 4.120 -0.000 0.000 0.299 157 V C -1.727 174.358 176.094 -0.015 0.000 1.276 157 V CA -0.701 61.592 62.300 -0.011 0.000 0.993 157 V CB 2.132 33.949 31.823 -0.009 0.000 1.076 157 V HN 0.837 nan 8.190 nan 0.000 0.434 158 D N 1.473 121.862 120.400 -0.018 0.000 2.738 158 D HA 0.654 5.294 4.640 -0.000 0.000 0.237 158 D C -0.833 175.451 176.300 -0.027 0.000 1.123 158 D CA -0.197 53.789 54.000 -0.024 0.000 0.856 158 D CB 2.568 43.352 40.800 -0.027 0.000 1.552 158 D HN 0.779 nan 8.370 nan 0.000 0.480 159 T N 1.378 115.914 114.554 -0.031 0.000 2.779 159 T HA 0.302 4.652 4.350 -0.000 0.000 0.280 159 T C -0.214 174.445 174.700 -0.068 0.000 0.987 159 T CA -0.588 61.490 62.100 -0.038 0.000 0.966 159 T CB 1.074 69.927 68.868 -0.026 0.000 0.933 159 T HN 0.098 nan 8.240 nan 0.000 0.442 160 L N 4.280 125.456 121.223 -0.079 0.000 2.288 160 L HA 0.763 5.103 4.340 -0.000 0.000 0.283 160 L C -0.307 176.494 176.870 -0.115 0.000 1.072 160 L CA -0.757 54.003 54.840 -0.134 0.000 0.862 160 L CB -0.810 41.177 42.059 -0.119 0.000 1.245 160 L HN 0.732 nan 8.230 nan 0.000 0.432 161 A N 4.306 127.020 122.820 -0.178 0.000 2.365 161 A HA 0.822 5.142 4.320 -0.000 0.000 0.318 161 A C -1.685 175.787 177.584 -0.186 0.000 1.091 161 A CA -0.380 51.595 52.037 -0.104 0.000 0.763 161 A CB 0.951 19.919 19.000 -0.053 0.000 1.248 161 A HN 0.593 nan 8.150 nan 0.000 0.442 162 Y N -0.509 119.810 120.300 0.031 0.000 2.571 162 Y HA 0.585 5.135 4.550 -0.000 0.000 0.341 162 Y C 0.632 176.546 175.900 0.022 0.000 1.076 162 Y CA -0.275 57.849 58.100 0.040 0.000 1.029 162 Y CB 2.407 40.908 38.460 0.068 0.000 1.308 162 Y HN 0.863 nan 8.280 nan 0.000 0.461 163 T N -1.690 112.999 114.554 0.225 0.000 2.943 163 T HA 0.368 4.718 4.350 -0.000 0.000 0.284 163 T C 1.002 175.727 174.700 0.041 0.000 1.015 163 T CA -0.795 61.360 62.100 0.092 0.000 1.042 163 T CB 1.719 70.614 68.868 0.046 0.000 1.055 163 T HN 0.775 nan 8.240 nan 0.000 0.500 164 R N 0.347 120.850 120.500 0.004 0.000 2.139 164 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 164 R C 2.160 178.413 176.300 -0.078 0.000 1.145 164 R CA 2.060 58.139 56.100 -0.035 0.000 0.976 164 R CB -0.203 30.079 30.300 -0.030 0.000 0.866 164 R HN 0.925 nan 8.270 nan 0.000 0.449 165 E N 0.282 120.438 120.200 -0.074 0.000 2.021 165 E HA -0.179 4.171 4.350 -0.000 0.000 0.189 165 E C 1.539 178.036 176.600 -0.173 0.000 0.980 165 E CA 1.137 57.465 56.400 -0.119 0.000 0.803 165 E CB 0.039 29.674 29.700 -0.108 0.000 0.766 165 E HN 0.401 nan 8.360 nan 0.000 0.449 166 E N 0.382 120.508 120.200 -0.124 0.000 2.136 166 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 166 E C 2.070 178.542 176.600 -0.213 0.000 1.019 166 E CA 1.480 57.808 56.400 -0.120 0.000 0.819 166 E CB -0.139 29.636 29.700 0.126 0.000 0.739 166 E HN 0.393 nan 8.360 nan 0.000 0.458 167 I N 0.915 121.328 120.570 -0.261 0.000 2.406 167 I HA -0.136 4.034 4.170 -0.000 0.000 0.249 167 I C 2.193 178.037 176.117 -0.456 0.000 1.122 167 I CA 1.137 62.173 61.300 -0.440 0.000 1.431 167 I CB -0.998 36.777 38.000 -0.376 0.000 1.087 167 I HN 0.130 nan 8.210 nan 0.000 0.424 168 E N 1.144 121.167 120.200 -0.295 0.000 2.047 168 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 168 E C 2.351 178.834 176.600 -0.195 0.000 0.987 168 E CA 1.109 57.370 56.400 -0.233 0.000 0.799 168 E CB 0.007 29.613 29.700 -0.156 0.000 0.752 168 E HN 0.511 nan 8.360 nan 0.000 0.449 169 R N 0.681 121.053 120.500 -0.215 0.000 2.070 169 R HA -0.129 4.211 4.340 -0.000 0.000 0.233 169 R C 2.290 178.588 176.300 -0.003 0.000 1.137 169 R CA 1.397 57.398 56.100 -0.165 0.000 0.945 169 R CB -0.837 29.190 30.300 -0.455 0.000 0.845 169 R HN 0.092 nan 8.270 nan 0.000 0.430 170 I N 1.333 121.888 120.570 -0.025 0.000 2.657 170 I HA -0.123 4.047 4.170 -0.000 0.000 0.261 170 I C 1.757 177.863 176.117 -0.019 0.000 1.212 170 I CA 0.980 62.362 61.300 0.137 0.000 1.453 170 I CB 0.057 38.137 38.000 0.135 0.000 1.092 170 I HN 0.302 nan 8.210 nan 0.000 0.452 171 I N -0.921 119.559 120.570 -0.149 0.000 3.265 171 I HA -0.051 4.119 4.170 -0.000 0.000 0.282 171 I C 2.146 178.268 176.117 0.007 0.000 1.207 171 I CA 0.184 61.394 61.300 -0.151 0.000 1.449 171 I CB -0.235 37.590 38.000 -0.291 0.000 1.121 171 I HN 0.156 nan 8.210 nan 0.000 0.442 172 E N 1.332 121.536 120.200 0.007 0.000 2.017 172 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 172 E C 1.956 178.568 176.600 0.020 0.000 0.997 172 E CA 1.263 57.677 56.400 0.023 0.000 0.804 172 E CB -0.028 29.713 29.700 0.070 0.000 0.757 172 E HN 0.158 nan 8.360 nan 0.000 0.448 173 K N 0.989 121.424 120.400 0.058 0.000 2.015 173 K HA -0.213 4.107 4.320 -0.000 0.000 0.220 173 K C 1.969 178.552 176.600 -0.029 0.000 1.055 173 K CA 1.976 58.282 56.287 0.032 0.000 0.951 173 K CB -0.731 31.791 32.500 0.037 0.000 0.725 173 K HN 0.141 nan 8.250 nan 0.000 0.449 174 A N -0.801 121.980 122.820 -0.065 0.000 2.032 174 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 174 A C 2.159 179.613 177.584 -0.217 0.000 1.165 174 A CA 1.681 53.634 52.037 -0.140 0.000 0.645 174 A CB -0.772 18.127 19.000 -0.169 0.000 0.807 174 A HN 0.375 nan 8.150 nan 0.000 0.453 175 F N 0.382 120.176 119.950 -0.261 0.000 2.234 175 F HA -0.108 4.419 4.527 -0.000 0.000 0.296 175 F C 2.863 178.464 175.800 -0.332 0.000 1.089 175 F CA 1.596 59.328 58.000 -0.446 0.000 1.343 175 F CB -0.265 38.164 39.000 -0.952 0.000 1.040 175 F HN 0.449 nan 8.300 nan 0.000 0.498 176 Q N -0.202 119.604 119.800 0.010 0.000 2.123 176 Q HA -0.151 4.189 4.340 -0.000 0.000 0.199 176 Q C 2.285 178.368 176.000 0.137 0.000 0.966 176 Q CA 1.337 57.258 55.803 0.197 0.000 0.845 176 Q CB -0.860 28.015 28.738 0.228 0.000 0.907 176 Q HN 0.443 nan 8.270 nan 0.000 0.439 177 L N 0.769 122.032 121.223 0.066 0.000 2.083 177 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 177 L C 2.403 179.311 176.870 0.064 0.000 1.083 177 L CA 1.244 56.125 54.840 0.069 0.000 0.752 177 L CB -0.373 41.684 42.059 -0.003 0.000 0.899 177 L HN 0.322 nan 8.230 nan 0.000 0.433 178 A N -0.942 121.889 122.820 0.018 0.000 1.968 178 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 178 A C 2.056 179.691 177.584 0.084 0.000 1.169 178 A CA 1.440 53.487 52.037 0.016 0.000 0.638 178 A CB -0.427 18.531 19.000 -0.069 0.000 0.812 178 A HN 0.503 nan 8.150 nan 0.000 0.446 179 Q N 0.811 120.695 119.800 0.140 0.000 2.077 179 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 179 Q C 1.629 177.707 176.000 0.130 0.000 0.989 179 Q CA 2.319 58.232 55.803 0.185 0.000 0.853 179 Q CB -0.598 28.300 28.738 0.267 0.000 0.907 179 Q HN 0.824 nan 8.270 nan 0.000 0.418 180 I N -2.519 118.123 120.570 0.119 0.000 3.749 180 I HA 0.227 4.397 4.170 -0.000 0.000 0.314 180 I C 0.463 176.626 176.117 0.076 0.000 1.267 180 I CA -0.135 61.221 61.300 0.095 0.000 1.169 180 I CB 0.054 38.114 38.000 0.100 0.000 1.009 180 I HN -0.041 nan 8.210 nan 0.000 0.444 181 R N 0.836 121.379 120.500 0.072 0.000 3.412 181 R HA 0.492 4.832 4.340 -0.000 0.000 0.216 181 R C 0.624 176.953 176.300 0.048 0.000 1.677 181 R CA -0.985 55.148 56.100 0.056 0.000 0.931 181 R CB 0.186 30.520 30.300 0.056 0.000 2.019 181 R HN -0.108 nan 8.270 nan 0.000 0.537 182 R N 1.340 121.864 120.500 0.039 0.000 2.395 182 R HA -0.049 4.291 4.340 -0.000 0.000 0.202 182 R C -0.210 176.114 176.300 0.041 0.000 1.088 182 R CA 0.727 56.847 56.100 0.034 0.000 1.090 182 R CB -0.409 29.906 30.300 0.025 0.000 0.876 182 R HN 0.418 nan 8.270 nan 0.000 0.477 183 K N -0.588 119.843 120.400 0.052 0.000 3.209 183 K HA -0.231 4.089 4.320 -0.000 0.000 0.289 183 K C -0.807 175.825 176.600 0.053 0.000 1.191 183 K CA 1.173 57.501 56.287 0.069 0.000 0.851 183 K CB -0.991 31.555 32.500 0.077 0.000 1.242 183 K HN 0.226 nan 8.250 nan 0.000 0.480 184 K N 0.660 121.074 120.400 0.024 0.000 2.164 184 K HA 0.582 4.902 4.320 -0.000 0.000 0.258 184 K C -0.784 175.784 176.600 -0.054 0.000 0.951 184 K CA -0.992 55.297 56.287 0.003 0.000 0.844 184 K CB 1.596 34.109 32.500 0.021 0.000 1.099 184 K HN -0.012 nan 8.250 nan 0.000 0.435 185 L N 2.054 123.208 121.223 -0.115 0.000 2.529 185 L HA 0.390 4.730 4.340 -0.000 0.000 0.260 185 L C -1.343 175.408 176.870 -0.198 0.000 0.997 185 L CA -0.190 54.512 54.840 -0.231 0.000 0.885 185 L CB 1.454 43.185 42.059 -0.547 0.000 1.185 185 L HN 0.785 nan 8.230 nan 0.000 0.442 186 A N 2.796 125.557 122.820 -0.098 0.000 2.347 186 A HA 0.612 4.932 4.320 -0.000 0.000 0.287 186 A C 0.095 177.624 177.584 -0.092 0.000 1.199 186 A CA -0.074 51.924 52.037 -0.066 0.000 0.851 186 A CB 0.425 19.445 19.000 0.034 0.000 1.118 186 A HN 0.644 nan 8.150 nan 0.000 0.525 187 S N 2.638 118.285 115.700 -0.089 0.000 2.420 187 S HA 0.464 4.934 4.470 -0.000 0.000 0.313 187 S C -0.327 174.394 174.600 0.203 0.000 1.079 187 S CA -0.428 57.841 58.200 0.116 0.000 1.104 187 S CB 0.079 63.394 63.200 0.192 0.000 0.969 187 S HN 0.572 nan 8.310 nan 0.000 0.471 188 V N 5.927 125.879 119.914 0.064 0.000 2.439 188 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 188 V C -0.047 175.946 176.094 -0.168 0.000 1.039 188 V CA -0.349 61.917 62.300 -0.058 0.000 0.913 188 V CB 1.431 33.163 31.823 -0.152 0.000 0.983 188 V HN 1.025 nan 8.190 nan 0.000 0.460 189 D N 3.822 124.153 120.400 -0.116 0.000 3.057 189 D HA 0.452 5.092 4.640 -0.000 0.000 0.328 189 D C -0.642 175.664 176.300 0.010 0.000 1.317 189 D CA -0.777 53.192 54.000 -0.051 0.000 0.973 189 D CB 1.247 41.979 40.800 -0.114 0.000 1.424 189 D HN 0.158 nan 8.370 nan 0.000 0.569 190 K N -0.995 119.478 120.400 0.122 0.000 3.278 190 K HA 0.645 4.965 4.320 -0.000 0.000 0.200 190 K C 0.496 177.129 176.600 0.055 0.000 1.107 190 K CA 0.121 56.460 56.287 0.088 0.000 0.923 190 K CB 0.244 32.886 32.500 0.236 0.000 0.787 190 K HN 0.491 nan 8.250 nan 0.000 0.481 191 A N 0.741 123.576 122.820 0.025 0.000 2.084 191 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 191 A C 1.517 179.108 177.584 0.012 0.000 1.161 191 A CA 1.952 53.998 52.037 0.015 0.000 0.653 191 A CB -0.815 18.176 19.000 -0.016 0.000 0.802 191 A HN 0.760 nan 8.150 nan 0.000 0.457 192 N N -1.365 117.341 118.700 0.009 0.000 2.515 192 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 192 N C 0.877 176.396 175.510 0.014 0.000 1.109 192 N CA 1.055 54.109 53.050 0.008 0.000 0.903 192 N CB 0.117 38.605 38.487 0.001 0.000 0.969 192 N HN 0.290 nan 8.380 nan 0.000 0.450 193 V N 0.402 120.331 119.914 0.024 0.000 3.889 193 V HA 0.167 4.287 4.120 -0.000 0.000 0.184 193 V C 0.641 176.754 176.094 0.033 0.000 1.311 193 V CA -0.263 62.053 62.300 0.028 0.000 1.277 193 V CB 0.041 31.883 31.823 0.032 0.000 1.364 193 V HN 0.073 nan 8.190 nan 0.000 0.567 194 L N 1.695 122.946 121.223 0.045 0.000 2.456 194 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 194 L C 1.643 178.538 176.870 0.042 0.000 1.189 194 L CA 0.212 55.076 54.840 0.041 0.000 0.846 194 L CB 0.417 42.501 42.059 0.042 0.000 1.111 194 L HN 0.302 nan 8.230 nan 0.000 0.475 195 E N 1.442 121.665 120.200 0.040 0.000 2.072 195 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 195 E C 2.043 178.682 176.600 0.066 0.000 0.982 195 E CA 1.597 58.024 56.400 0.045 0.000 0.803 195 E CB 0.047 29.770 29.700 0.038 0.000 0.755 195 E HN 0.749 nan 8.360 nan 0.000 0.453 196 S N -0.492 115.253 115.700 0.075 0.000 2.365 196 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 196 S C 2.274 176.957 174.600 0.137 0.000 1.039 196 S CA 1.573 59.845 58.200 0.120 0.000 1.033 196 S CB -0.788 62.493 63.200 0.134 0.000 0.887 196 S HN 0.167 nan 8.310 nan 0.000 0.447 197 S N 2.010 117.763 115.700 0.088 0.000 2.399 197 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 197 S C 2.031 176.715 174.600 0.139 0.000 1.022 197 S CA 1.222 59.477 58.200 0.092 0.000 0.983 197 S CB -0.319 62.914 63.200 0.055 0.000 0.803 197 S HN 0.553 nan 8.310 nan 0.000 0.480 198 R N 0.704 121.260 120.500 0.094 0.000 2.073 198 R HA 0.032 4.372 4.340 -0.000 0.000 0.234 198 R C 2.479 178.832 176.300 0.087 0.000 1.134 198 R CA 1.494 57.635 56.100 0.068 0.000 0.952 198 R CB -0.345 29.981 30.300 0.045 0.000 0.850 198 R HN 0.363 nan 8.270 nan 0.000 0.433 199 M N -0.030 119.630 119.600 0.100 0.000 2.159 199 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 199 M C 1.946 178.308 176.300 0.103 0.000 1.063 199 M CA 1.509 56.857 55.300 0.081 0.000 1.110 199 M CB -0.167 32.479 32.600 0.078 0.000 1.374 199 M HN 0.372 nan 8.290 nan 0.000 0.411 200 W N 1.129 122.409 121.300 -0.034 0.000 2.379 200 W HA -0.207 4.453 4.660 -0.000 0.000 0.307 200 W C 2.144 178.661 176.519 -0.003 0.000 1.200 200 W CA 1.567 58.889 57.345 -0.038 0.000 1.297 200 W CB -0.723 28.707 29.460 -0.049 0.000 1.140 200 W HN 0.241 nan 8.180 nan 0.000 0.507 201 R N 0.711 121.394 120.500 0.305 0.000 2.249 201 R HA -0.176 4.164 4.340 -0.000 0.000 0.230 201 R C 1.994 178.318 176.300 0.039 0.000 1.121 201 R CA 1.851 57.999 56.100 0.080 0.000 0.997 201 R CB -0.124 30.102 30.300 -0.123 0.000 0.867 201 R HN 0.266 nan 8.270 nan 0.000 0.465 202 E N -0.133 120.091 120.200 0.040 0.000 2.057 202 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 202 E C 1.892 178.490 176.600 -0.004 0.000 0.959 202 E CA 0.458 56.870 56.400 0.021 0.000 0.828 202 E CB 0.088 29.796 29.700 0.013 0.000 0.800 202 E HN 0.126 nan 8.360 nan 0.000 0.460 203 I N 1.750 122.285 120.570 -0.059 0.000 2.182 203 I HA -0.357 3.813 4.170 -0.000 0.000 0.248 203 I C 2.397 178.450 176.117 -0.108 0.000 1.073 203 I CA 1.702 62.927 61.300 -0.124 0.000 1.335 203 I CB -1.434 36.413 38.000 -0.255 0.000 1.031 203 I HN 0.120 nan 8.210 nan 0.000 0.420 204 A N -0.003 122.764 122.820 -0.088 0.000 1.898 204 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 204 A C 2.284 179.971 177.584 0.172 0.000 1.181 204 A CA 1.620 53.692 52.037 0.059 0.000 0.620 204 A CB -0.508 18.588 19.000 0.159 0.000 0.819 204 A HN 0.355 nan 8.150 nan 0.000 0.442 205 E N -0.026 120.269 120.200 0.158 0.000 2.110 205 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 205 E C 2.008 178.643 176.600 0.058 0.000 0.988 205 E CA 1.216 57.702 56.400 0.143 0.000 0.804 205 E CB -0.101 29.671 29.700 0.121 0.000 0.745 205 E HN 0.512 nan 8.360 nan 0.000 0.458 206 E N -0.459 119.752 120.200 0.018 0.000 2.015 206 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 206 E C 2.080 178.647 176.600 -0.056 0.000 0.991 206 E CA 1.636 58.026 56.400 -0.017 0.000 0.802 206 E CB -0.600 29.084 29.700 -0.026 0.000 0.759 206 E HN 0.248 nan 8.360 nan 0.000 0.447 207 T N 1.466 115.973 114.554 -0.078 0.000 2.918 207 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 207 T C 1.745 176.190 174.700 -0.425 0.000 1.104 207 T CA 1.096 63.090 62.100 -0.177 0.000 1.114 207 T CB -0.198 68.582 68.868 -0.147 0.000 0.855 207 T HN 0.248 nan 8.240 nan 0.000 0.518 208 A N 1.667 124.306 122.820 -0.302 0.000 1.972 208 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 208 A C 2.255 179.729 177.584 -0.183 0.000 1.169 208 A CA 1.360 53.208 52.037 -0.315 0.000 0.635 208 A CB -0.359 18.666 19.000 0.041 0.000 0.810 208 A HN 0.483 nan 8.150 nan 0.000 0.446 209 K N -0.375 119.960 120.400 -0.108 0.000 2.009 209 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 209 K C 2.065 178.615 176.600 -0.083 0.000 1.049 209 K CA 1.660 57.907 56.287 -0.066 0.000 0.929 209 K CB -0.164 32.306 32.500 -0.050 0.000 0.714 209 K HN 0.249 nan 8.250 nan 0.000 0.440 210 K N 0.374 120.723 120.400 -0.086 0.000 2.360 210 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 210 K C -0.354 176.066 176.600 -0.300 0.000 1.046 210 K CA 1.238 57.444 56.287 -0.135 0.000 0.940 210 K CB 0.080 32.559 32.500 -0.034 0.000 0.748 210 K HN 0.157 nan 8.250 nan 0.000 0.465 211 Y N -0.439 119.685 120.300 -0.294 0.000 2.592 211 Y HA 0.259 4.809 4.550 -0.000 0.000 0.354 211 Y C -2.045 173.787 175.900 -0.113 0.000 1.063 211 Y CA -2.530 55.448 58.100 -0.203 0.000 1.205 211 Y CB 1.501 39.802 38.460 -0.265 0.000 1.106 211 Y HN 0.004 nan 8.280 nan 0.000 0.649 212 P HA -0.061 nan 4.420 nan 0.000 0.233 212 P C -0.050 177.293 177.300 0.072 0.000 1.167 212 P CA 1.064 64.190 63.100 0.043 0.000 0.770 212 P CB 0.412 32.116 31.700 0.007 0.000 0.837 213 D N -0.557 119.898 120.400 0.091 0.000 2.323 213 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 213 D C 0.849 177.223 176.300 0.123 0.000 0.973 213 D CA 0.242 54.297 54.000 0.092 0.000 0.874 213 D CB -0.614 40.236 40.800 0.084 0.000 0.930 213 D HN 0.040 nan 8.370 nan 0.000 0.521 214 V N 0.838 120.864 119.914 0.187 0.000 2.785 214 V HA 0.122 4.242 4.120 -0.000 0.000 0.300 214 V C 0.309 176.507 176.094 0.175 0.000 1.062 214 V CA -0.787 61.640 62.300 0.211 0.000 1.029 214 V CB 1.745 33.794 31.823 0.377 0.000 1.024 214 V HN 0.114 nan 8.190 nan 0.000 0.477 215 E N 3.811 124.081 120.200 0.116 0.000 2.070 215 E HA 0.299 4.649 4.350 -0.000 0.000 0.261 215 E C -1.250 175.382 176.600 0.053 0.000 0.926 215 E CA -0.792 55.657 56.400 0.082 0.000 0.760 215 E CB 1.268 30.998 29.700 0.050 0.000 1.133 215 E HN 0.528 nan 8.360 nan 0.000 0.420 216 L N 3.674 124.943 121.223 0.077 0.000 2.281 216 L HA 0.343 4.683 4.340 -0.000 0.000 0.285 216 L C -0.784 176.039 176.870 -0.079 0.000 1.074 216 L CA 0.363 55.193 54.840 -0.017 0.000 0.817 216 L CB 1.195 43.319 42.059 0.108 0.000 1.168 216 L HN 0.329 nan 8.230 nan 0.000 0.434 217 S N 3.767 119.381 115.700 -0.144 0.000 2.766 217 S HA 0.666 5.136 4.470 -0.000 0.000 0.307 217 S C -1.031 173.409 174.600 -0.267 0.000 1.121 217 S CA -0.559 57.579 58.200 -0.103 0.000 0.980 217 S CB 0.981 64.180 63.200 -0.002 0.000 1.159 217 S HN 0.687 nan 8.310 nan 0.000 0.546 218 H N 0.492 119.601 119.070 0.066 0.000 2.865 218 H HA 0.513 5.069 4.556 -0.000 0.000 0.362 218 H C -1.161 174.195 175.328 0.045 0.000 1.114 218 H CA -0.352 55.735 56.048 0.065 0.000 1.208 218 H CB 1.437 31.244 29.762 0.075 0.000 1.727 218 H HN 0.418 nan 8.280 nan 0.000 0.534 219 M N 3.448 123.146 119.600 0.164 0.000 2.324 219 M HA 0.273 4.753 4.480 -0.000 0.000 0.288 219 M C -0.592 175.706 176.300 -0.002 0.000 1.097 219 M CA -0.700 54.642 55.300 0.069 0.000 0.928 219 M CB 2.926 35.557 32.600 0.053 0.000 1.648 219 M HN 0.229 nan 8.290 nan 0.000 0.460 220 L N 2.041 123.246 121.223 -0.031 0.000 2.485 220 L HA 0.054 4.394 4.340 -0.000 0.000 0.275 220 L C 1.545 178.299 176.870 -0.194 0.000 1.207 220 L CA -0.106 54.674 54.840 -0.100 0.000 0.855 220 L CB 0.696 42.709 42.059 -0.077 0.000 1.114 220 L HN 0.656 nan 8.230 nan 0.000 0.485 221 V N 2.649 122.341 119.914 -0.369 0.000 2.317 221 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 221 V C 1.933 177.801 176.094 -0.376 0.000 1.065 221 V CA 2.713 64.675 62.300 -0.564 0.000 1.049 221 V CB -0.428 30.576 31.823 -1.365 0.000 0.651 221 V HN 1.129 nan 8.190 nan 0.000 0.450 222 D N -1.660 118.568 120.400 -0.286 0.000 2.371 222 D HA -0.081 4.559 4.640 -0.000 0.000 0.221 222 D C 1.985 178.219 176.300 -0.110 0.000 0.986 222 D CA 1.284 55.177 54.000 -0.178 0.000 0.899 222 D CB -0.101 40.620 40.800 -0.132 0.000 0.902 222 D HN 0.441 nan 8.370 nan 0.000 0.530 223 S N -1.179 114.463 115.700 -0.097 0.000 2.468 223 S HA -0.022 4.448 4.470 -0.000 0.000 0.226 223 S C 1.769 176.360 174.600 -0.014 0.000 1.051 223 S CA 0.711 58.887 58.200 -0.040 0.000 0.943 223 S CB -0.409 62.780 63.200 -0.019 0.000 0.810 223 S HN 0.274 nan 8.310 nan 0.000 0.509 224 T N 2.429 116.952 114.554 -0.052 0.000 2.720 224 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 224 T C 2.010 176.678 174.700 -0.054 0.000 1.037 224 T CA 1.357 63.424 62.100 -0.055 0.000 1.144 224 T CB -0.643 68.111 68.868 -0.190 0.000 0.864 224 T HN 0.483 nan 8.240 nan 0.000 0.444 225 A N 2.603 125.370 122.820 -0.088 0.000 1.865 225 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 225 A C 2.384 179.958 177.584 -0.017 0.000 1.191 225 A CA 2.224 54.220 52.037 -0.069 0.000 0.623 225 A CB -0.756 18.190 19.000 -0.089 0.000 0.826 225 A HN 0.712 nan 8.150 nan 0.000 0.444 226 M N -2.572 117.025 119.600 -0.006 0.000 2.419 226 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 226 M C 1.741 178.067 176.300 0.044 0.000 1.082 226 M CA 1.326 56.633 55.300 0.012 0.000 1.119 226 M CB -0.345 32.256 32.600 0.002 0.000 1.398 226 M HN 0.180 nan 8.290 nan 0.000 0.453 227 Q N 1.642 121.492 119.800 0.084 0.000 2.123 227 Q HA 0.089 4.429 4.340 -0.000 0.000 0.199 227 Q C 2.242 178.373 176.000 0.218 0.000 0.966 227 Q CA 1.266 57.158 55.803 0.148 0.000 0.845 227 Q CB -0.418 28.471 28.738 0.252 0.000 0.907 227 Q HN 0.650 nan 8.270 nan 0.000 0.439 228 L N 0.181 121.543 121.223 0.231 0.000 2.349 228 L HA -0.177 4.163 4.340 -0.000 0.000 0.220 228 L C 1.820 178.757 176.870 0.112 0.000 1.130 228 L CA 0.599 55.559 54.840 0.200 0.000 0.791 228 L CB -0.202 41.888 42.059 0.051 0.000 0.918 228 L HN 0.202 nan 8.230 nan 0.000 0.444 229 I N -1.227 119.388 120.570 0.074 0.000 3.445 229 I HA 0.034 4.204 4.170 -0.000 0.000 0.288 229 I C 2.525 178.661 176.117 0.031 0.000 1.198 229 I CA 0.979 62.305 61.300 0.042 0.000 1.417 229 I CB -0.996 37.019 38.000 0.025 0.000 1.205 229 I HN 0.041 nan 8.210 nan 0.000 0.448 230 A N 0.514 123.352 122.820 0.030 0.000 2.021 230 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 230 A C 0.993 178.573 177.584 -0.006 0.000 1.163 230 A CA 1.253 53.296 52.037 0.010 0.000 0.676 230 A CB -0.348 18.656 19.000 0.006 0.000 0.818 230 A HN 0.464 nan 8.150 nan 0.000 0.453 231 N N -1.604 117.092 118.700 -0.006 0.000 2.805 231 N HA 0.135 4.875 4.740 -0.000 0.000 0.216 231 N C -2.556 172.897 175.510 -0.094 0.000 1.447 231 N CA -0.613 52.400 53.050 -0.062 0.000 0.785 231 N CB 1.099 39.522 38.487 -0.107 0.000 1.458 231 N HN -0.040 nan 8.380 nan 0.000 0.547 232 P HA 0.122 nan 4.420 nan 0.000 0.236 232 P C 1.165 178.481 177.300 0.026 0.000 1.177 232 P CA 0.447 63.625 63.100 0.129 0.000 0.773 232 P CB 0.192 31.978 31.700 0.143 0.000 0.878 233 G N 1.147 109.910 108.800 -0.063 0.000 2.776 233 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.209 233 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.209 233 G C 1.440 176.259 174.900 -0.135 0.000 1.145 233 G CA 0.193 45.251 45.100 -0.069 0.000 0.791 233 G HN 0.484 nan 8.290 nan 0.000 0.530 234 Q N -0.974 118.644 119.800 -0.304 0.000 2.408 234 Q HA 0.238 4.578 4.340 -0.000 0.000 0.205 234 Q C -0.134 175.621 176.000 -0.409 0.000 0.919 234 Q CA -0.215 55.344 55.803 -0.407 0.000 0.932 234 Q CB 0.046 28.425 28.738 -0.598 0.000 1.058 234 Q HN 0.257 nan 8.270 nan 0.000 0.517 235 F N 1.211 121.146 119.950 -0.025 0.000 2.385 235 F HA 0.276 4.803 4.527 -0.000 0.000 0.336 235 F C 0.736 176.520 175.800 -0.027 0.000 1.100 235 F CA -1.115 56.868 58.000 -0.029 0.000 1.116 235 F CB 1.463 40.445 39.000 -0.030 0.000 1.166 235 F HN -0.033 nan 8.300 nan 0.000 0.511 236 D N 0.619 121.133 120.400 0.191 0.000 3.154 236 D HA 0.208 4.848 4.640 -0.000 0.000 0.278 236 D C -0.785 175.555 176.300 0.066 0.000 1.460 236 D CA 0.823 54.878 54.000 0.091 0.000 1.114 236 D CB 0.483 41.315 40.800 0.054 0.000 1.151 236 D HN 0.108 nan 8.370 nan 0.000 0.376 237 V N 2.069 122.002 119.914 0.032 0.000 2.604 237 V HA 0.479 4.599 4.120 -0.000 0.000 0.305 237 V C -0.230 175.825 176.094 -0.065 0.000 1.043 237 V CA -0.869 61.416 62.300 -0.024 0.000 0.888 237 V CB 1.823 33.614 31.823 -0.053 0.000 0.995 237 V HN 0.334 nan 8.190 nan 0.000 0.429 238 I N 2.805 123.315 120.570 -0.100 0.000 2.582 238 I HA 0.904 5.074 4.170 -0.000 0.000 0.292 238 I C -1.401 174.664 176.117 -0.087 0.000 1.066 238 I CA -0.835 60.383 61.300 -0.136 0.000 1.053 238 I CB 2.231 40.075 38.000 -0.260 0.000 1.241 238 I HN 0.426 nan 8.210 nan 0.000 0.421 239 V N 5.113 125.008 119.914 -0.032 0.000 2.823 239 V HA 0.865 4.985 4.120 -0.000 0.000 0.312 239 V C -0.585 175.609 176.094 0.166 0.000 1.072 239 V CA 0.238 62.585 62.300 0.080 0.000 0.937 239 V CB 2.245 34.130 31.823 0.104 0.000 1.013 239 V HN 1.084 nan 8.190 nan 0.000 0.430 240 T N 3.012 117.648 114.554 0.137 0.000 2.749 240 T HA 0.414 4.764 4.350 -0.000 0.000 0.310 240 T C -0.976 173.562 174.700 -0.271 0.000 1.496 240 T CA -0.015 61.978 62.100 -0.179 0.000 1.006 240 T CB 1.604 70.400 68.868 -0.120 0.000 1.457 240 T HN 1.167 nan 8.240 nan 0.000 0.497 241 E N 1.844 121.629 120.200 -0.691 0.000 2.428 241 E HA 0.171 4.521 4.350 -0.000 0.000 0.257 241 E C 1.133 177.647 176.600 -0.142 0.000 1.197 241 E CA 0.052 56.227 56.400 -0.374 0.000 0.974 241 E CB 0.293 29.712 29.700 -0.468 0.000 0.976 241 E HN 0.592 nan 8.360 nan 0.000 0.463 242 N N 1.016 119.714 118.700 -0.003 0.000 2.132 242 N HA -0.284 4.456 4.740 -0.000 0.000 0.191 242 N C 1.389 176.630 175.510 -0.450 0.000 1.015 242 N CA 2.283 55.233 53.050 -0.166 0.000 0.864 242 N CB -0.144 38.253 38.487 -0.150 0.000 1.006 242 N HN 0.675 nan 8.380 nan 0.000 0.430 243 M N -1.054 118.234 119.600 -0.519 0.000 2.216 243 M HA 0.174 4.654 4.480 -0.000 0.000 0.264 243 M C 1.122 177.343 176.300 -0.131 0.000 1.080 243 M CA 1.184 56.183 55.300 -0.501 0.000 1.153 243 M CB -0.578 31.759 32.600 -0.438 0.000 1.356 243 M HN 0.088 nan 8.290 nan 0.000 0.432 244 F N 0.092 119.915 119.950 -0.211 0.000 2.216 244 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 244 F C 2.444 178.147 175.800 -0.161 0.000 1.085 244 F CA 1.099 58.992 58.000 -0.179 0.000 1.326 244 F CB -1.957 36.911 39.000 -0.219 0.000 1.027 244 F HN 0.302 nan 8.300 nan 0.000 0.497 245 G N -0.933 107.884 108.800 0.028 0.000 2.471 245 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 245 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 245 G C 1.341 176.226 174.900 -0.025 0.000 1.125 245 G CA 0.982 46.071 45.100 -0.019 0.000 0.775 245 G HN 0.352 nan 8.290 nan 0.000 0.548 246 D N 0.590 120.966 120.400 -0.040 0.000 2.120 246 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 246 D C 2.486 178.798 176.300 0.020 0.000 0.972 246 D CA 0.520 54.518 54.000 -0.002 0.000 0.837 246 D CB -0.185 40.621 40.800 0.010 0.000 0.989 246 D HN 0.312 nan 8.370 nan 0.000 0.469 247 I N 0.288 120.873 120.570 0.025 0.000 2.202 247 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 247 I C 2.484 178.595 176.117 -0.009 0.000 1.091 247 I CA 0.619 61.931 61.300 0.019 0.000 1.368 247 I CB -0.272 37.742 38.000 0.025 0.000 1.058 247 I HN 0.129 nan 8.210 nan 0.000 0.410 248 L N 0.076 121.282 121.223 -0.028 0.000 2.083 248 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 248 L C 2.719 179.561 176.870 -0.046 0.000 1.083 248 L CA 1.279 56.083 54.840 -0.060 0.000 0.752 248 L CB -0.485 41.515 42.059 -0.098 0.000 0.899 248 L HN 0.257 nan 8.230 nan 0.000 0.433 249 S N -0.192 115.491 115.700 -0.029 0.000 2.344 249 S HA -0.193 4.277 4.470 -0.000 0.000 0.217 249 S C 1.488 176.086 174.600 -0.003 0.000 1.033 249 S CA 1.431 59.620 58.200 -0.017 0.000 1.017 249 S CB -0.294 62.901 63.200 -0.007 0.000 0.941 249 S HN 0.435 nan 8.310 nan 0.000 0.430 250 D N 1.325 121.729 120.400 0.007 0.000 2.265 250 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 250 D C 1.686 177.991 176.300 0.010 0.000 0.977 250 D CA 0.326 54.334 54.000 0.015 0.000 0.871 250 D CB -0.263 40.550 40.800 0.021 0.000 0.925 250 D HN 0.193 nan 8.370 nan 0.000 0.485 251 L N 0.335 121.557 121.223 -0.002 0.000 2.217 251 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 251 L C 1.780 178.650 176.870 -0.000 0.000 1.107 251 L CA 1.142 55.979 54.840 -0.005 0.000 0.783 251 L CB -0.501 41.545 42.059 -0.022 0.000 0.919 251 L HN -0.088 nan 8.230 nan 0.000 0.442 252 A N -1.626 121.192 122.820 -0.004 0.000 2.218 252 A HA 0.018 4.338 4.320 -0.000 0.000 0.209 252 A C 2.136 179.731 177.584 0.019 0.000 1.168 252 A CA 0.777 52.817 52.037 0.005 0.000 0.804 252 A CB -0.178 18.817 19.000 -0.009 0.000 0.834 252 A HN 0.457 nan 8.150 nan 0.000 0.482 253 S N -0.391 115.322 115.700 0.022 0.000 2.527 253 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 253 S C 1.652 176.274 174.600 0.037 0.000 0.985 253 S CA 1.184 59.405 58.200 0.034 0.000 0.921 253 S CB 0.001 63.222 63.200 0.036 0.000 0.772 253 S HN 0.747 nan 8.310 nan 0.000 0.529 254 V N 0.380 120.312 119.914 0.030 0.000 3.431 254 V HA 0.243 4.363 4.120 -0.000 0.000 0.253 254 V C 1.697 177.809 176.094 0.030 0.000 1.184 254 V CA 0.161 62.478 62.300 0.030 0.000 1.104 254 V CB -0.968 30.869 31.823 0.024 0.000 0.799 254 V HN 0.575 nan 8.190 nan 0.000 0.462 255 I N 1.230 121.817 120.570 0.029 0.000 3.164 255 I HA -0.038 4.132 4.170 -0.000 0.000 0.278 255 I C 1.707 177.844 176.117 0.033 0.000 1.320 255 I CA 1.759 63.076 61.300 0.029 0.000 1.422 255 I CB -0.879 37.139 38.000 0.031 0.000 1.066 255 I HN 0.499 nan 8.210 nan 0.000 0.503 256 T N -3.886 110.692 114.554 0.040 0.000 2.966 256 T HA 0.385 4.735 4.350 -0.000 0.000 0.254 256 T C 1.481 176.216 174.700 0.059 0.000 0.961 256 T CA 0.449 62.579 62.100 0.050 0.000 0.915 256 T CB 0.374 69.278 68.868 0.059 0.000 1.186 256 T HN 0.579 nan 8.240 nan 0.000 0.505 257 G N 1.973 110.805 108.800 0.054 0.000 2.176 257 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 257 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 257 G C 0.515 175.452 174.900 0.061 0.000 1.024 257 G CA 0.554 45.683 45.100 0.050 0.000 0.755 257 G HN 1.417 nan 8.290 nan 0.000 0.507 258 S N -0.785 114.964 115.700 0.081 0.000 2.588 258 S HA 0.424 4.894 4.470 -0.000 0.000 0.245 258 S C 1.807 176.461 174.600 0.090 0.000 1.021 258 S CA 0.292 58.552 58.200 0.099 0.000 1.006 258 S CB 0.682 63.987 63.200 0.175 0.000 0.830 258 S HN 0.433 nan 8.310 nan 0.000 0.468 259 L N 2.849 124.116 121.223 0.073 0.000 2.054 259 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 259 L C 2.145 179.072 176.870 0.095 0.000 1.081 259 L CA 2.571 57.460 54.840 0.081 0.000 0.780 259 L CB -1.754 40.344 42.059 0.065 0.000 0.893 259 L HN 0.580 nan 8.230 nan 0.000 0.438 260 G N -0.239 108.589 108.800 0.046 0.000 2.653 260 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.212 260 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.212 260 G C 1.102 176.034 174.900 0.054 0.000 1.138 260 G CA 0.753 45.851 45.100 -0.003 0.000 0.782 260 G HN 0.641 nan 8.290 nan 0.000 0.535 261 M N -1.505 118.156 119.600 0.101 0.000 4.590 261 M HA 0.492 4.972 4.480 -0.000 0.000 0.545 261 M C -1.406 174.986 176.300 0.153 0.000 2.120 261 M CA -0.313 55.057 55.300 0.118 0.000 0.513 261 M CB 0.253 32.891 32.600 0.062 0.000 1.450 261 M HN -0.245 nan 8.290 nan 0.000 0.599 262 L N 3.327 124.639 121.223 0.148 0.000 2.313 262 L HA 0.764 5.104 4.340 -0.000 0.000 0.283 262 L C -2.442 174.495 176.870 0.112 0.000 1.013 262 L CA -1.620 53.295 54.840 0.126 0.000 0.816 262 L CB 1.890 44.011 42.059 0.103 0.000 1.236 262 L HN 0.155 nan 8.230 nan 0.000 0.419 263 P HA 0.448 nan 4.420 nan 0.000 0.285 263 P C -1.320 176.033 177.300 0.087 0.000 1.285 263 P CA -0.570 62.592 63.100 0.102 0.000 0.854 263 P CB 2.213 33.988 31.700 0.124 0.000 1.180 264 S N -1.460 114.291 115.700 0.085 0.000 2.570 264 S HA 0.843 5.313 4.470 -0.000 0.000 0.270 264 S C -1.505 173.114 174.600 0.031 0.000 1.149 264 S CA -0.887 57.339 58.200 0.043 0.000 0.837 264 S CB 1.390 64.589 63.200 -0.002 0.000 1.124 264 S HN 0.665 nan 8.310 nan 0.000 0.465 265 A N 1.148 123.921 122.820 -0.079 0.000 2.466 265 A HA 0.731 5.051 4.320 -0.000 0.000 0.284 265 A C -0.620 176.744 177.584 -0.366 0.000 1.049 265 A CA -0.655 51.200 52.037 -0.304 0.000 0.760 265 A CB 1.352 20.264 19.000 -0.147 0.000 1.274 265 A HN 0.847 nan 8.150 nan 0.000 0.412 266 S N 2.775 118.214 115.700 -0.435 0.000 2.410 266 S HA 0.590 5.060 4.470 -0.000 0.000 0.304 266 S C 0.107 174.461 174.600 -0.410 0.000 1.095 266 S CA -0.267 57.736 58.200 -0.330 0.000 1.089 266 S CB -0.015 63.049 63.200 -0.225 0.000 0.968 266 S HN 0.569 nan 8.310 nan 0.000 0.480 267 L N 3.371 124.344 121.223 -0.416 0.000 2.421 267 L HA 0.758 5.098 4.340 -0.000 0.000 0.267 267 L C 0.693 177.233 176.870 -0.551 0.000 1.036 267 L CA -1.062 53.521 54.840 -0.428 0.000 0.829 267 L CB 1.056 42.860 42.059 -0.426 0.000 1.437 267 L HN 0.685 nan 8.230 nan 0.000 0.488 268 R N -2.084 118.120 120.500 -0.493 0.000 4.160 268 R HA 0.393 4.733 4.340 -0.000 0.000 0.235 268 R C 0.524 176.785 176.300 -0.065 0.000 0.948 268 R CA -0.222 55.546 56.100 -0.554 0.000 0.737 268 R CB 0.259 30.525 30.300 -0.057 0.000 1.765 268 R HN 0.314 nan 8.270 nan 0.000 0.375 269 S N 1.147 117.016 115.700 0.282 0.000 2.404 269 S HA -0.168 4.302 4.470 -0.000 0.000 0.216 269 S C 0.631 175.311 174.600 0.133 0.000 1.039 269 S CA 1.971 60.322 58.200 0.252 0.000 1.062 269 S CB -0.778 62.542 63.200 0.199 0.000 1.046 269 S HN 0.693 nan 8.310 nan 0.000 0.415 270 D N 0.841 121.307 120.400 0.111 0.000 2.045 270 D HA 0.046 4.686 4.640 -0.000 0.000 0.280 270 D C 1.056 177.401 176.300 0.075 0.000 1.117 270 D CA 0.135 54.190 54.000 0.091 0.000 1.001 270 D CB 0.036 40.893 40.800 0.095 0.000 1.159 270 D HN -0.008 nan 8.370 nan 0.000 0.477 271 R N -1.756 118.789 120.500 0.076 0.000 2.437 271 R HA 0.258 4.598 4.340 -0.000 0.000 0.257 271 R C -0.259 176.046 176.300 0.008 0.000 0.927 271 R CA -0.636 55.476 56.100 0.020 0.000 1.078 271 R CB -1.006 29.280 30.300 -0.023 0.000 1.161 271 R HN 0.347 nan 8.270 nan 0.000 0.529 272 F N 1.288 121.211 119.950 -0.046 0.000 2.518 272 F HA 0.427 4.954 4.527 -0.000 0.000 0.359 272 F C 0.623 176.394 175.800 -0.049 0.000 1.118 272 F CA 0.471 58.451 58.000 -0.033 0.000 1.287 272 F CB 0.824 39.818 39.000 -0.009 0.000 1.132 272 F HN 0.096 nan 8.300 nan 0.000 0.587 273 G N 5.641 113.972 108.800 -0.781 0.000 2.677 273 G HA2 0.463 4.423 3.960 -0.000 0.000 0.291 273 G HA3 0.463 4.423 3.960 -0.000 0.000 0.291 273 G C -2.124 172.350 174.900 -0.709 0.000 1.435 273 G CA -1.038 43.694 45.100 -0.613 0.000 0.826 273 G HN 0.772 nan 8.290 nan 0.000 0.491 274 M N 0.930 120.123 119.600 -0.677 0.000 2.311 274 M HA 0.705 5.185 4.480 -0.000 0.000 0.325 274 M C -1.791 174.148 176.300 -0.601 0.000 1.061 274 M CA -0.791 54.263 55.300 -0.411 0.000 0.957 274 M CB 1.556 34.032 32.600 -0.206 0.000 1.646 274 M HN 0.538 nan 8.290 nan 0.000 0.434 275 Y N 2.339 122.592 120.300 -0.077 0.000 2.485 275 Y HA 0.682 5.232 4.550 -0.000 0.000 0.345 275 Y C -0.355 175.530 175.900 -0.026 0.000 0.998 275 Y CA -0.656 57.422 58.100 -0.037 0.000 1.059 275 Y CB 1.690 40.142 38.460 -0.013 0.000 1.234 275 Y HN 0.679 nan 8.280 nan 0.000 0.461 276 E N 1.301 121.565 120.200 0.107 0.000 2.422 276 E HA 0.462 4.812 4.350 -0.000 0.000 0.280 276 E C -3.416 173.188 176.600 0.007 0.000 1.091 276 E CA -2.437 53.983 56.400 0.034 0.000 0.849 276 E CB 2.652 32.340 29.700 -0.020 0.000 1.353 276 E HN 0.177 nan 8.360 nan 0.000 0.449 277 P HA 0.065 nan 4.420 nan 0.000 0.284 277 P C 0.829 178.029 177.300 -0.166 0.000 1.253 277 P CA -0.488 62.553 63.100 -0.099 0.000 0.800 277 P CB 1.741 33.323 31.700 -0.198 0.000 0.961 278 V N 2.022 121.911 119.914 -0.041 0.000 2.490 278 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 278 V C 1.551 177.630 176.094 -0.026 0.000 1.061 278 V CA 1.801 64.092 62.300 -0.015 0.000 1.064 278 V CB -1.948 29.904 31.823 0.049 0.000 0.670 278 V HN 0.770 nan 8.190 nan 0.000 0.461 279 H N -0.427 118.666 119.070 0.038 0.000 2.730 279 H HA 0.478 5.034 4.556 -0.000 0.000 0.376 279 H C 0.728 176.076 175.328 0.035 0.000 1.299 279 H CA 0.133 56.202 56.048 0.035 0.000 1.447 279 H CB 0.018 29.800 29.762 0.033 0.000 1.493 279 H HN 0.123 nan 8.280 nan 0.000 0.619 280 G N -0.998 107.929 108.800 0.212 0.000 2.531 280 G HA2 0.241 4.201 3.960 -0.000 0.000 0.253 280 G HA3 0.241 4.201 3.960 -0.000 0.000 0.253 280 G C 0.615 175.647 174.900 0.219 0.000 1.439 280 G CA -0.307 44.875 45.100 0.137 0.000 1.056 280 G HN 0.888 nan 8.290 nan 0.000 0.555 281 S N -1.541 114.246 115.700 0.146 0.000 2.556 281 S HA 0.374 4.844 4.470 -0.000 0.000 0.216 281 S C 1.479 176.157 174.600 0.130 0.000 0.970 281 S CA 1.019 59.305 58.200 0.144 0.000 0.912 281 S CB -0.147 63.120 63.200 0.112 0.000 0.790 281 S HN 1.987 nan 8.310 nan 0.000 0.504 282 A N 3.219 126.108 122.820 0.115 0.000 2.189 282 A HA -0.122 4.198 4.320 -0.000 0.000 0.272 282 A C -0.206 177.414 177.584 0.059 0.000 1.349 282 A CA 0.766 52.846 52.037 0.071 0.000 0.778 282 A CB -1.506 17.517 19.000 0.039 0.000 1.088 282 A HN 0.624 nan 8.150 nan 0.000 0.351 283 P HA -0.275 nan 4.420 nan 0.000 0.216 283 P C 0.974 178.292 177.300 0.031 0.000 1.150 283 P CA 1.840 64.975 63.100 0.058 0.000 0.843 283 P CB -0.267 31.471 31.700 0.063 0.000 0.787 284 D N 1.667 122.081 120.400 0.023 0.000 2.170 284 D HA -0.226 4.413 4.640 -0.000 0.000 0.193 284 D C 1.846 178.149 176.300 0.006 0.000 1.004 284 D CA 1.604 55.610 54.000 0.010 0.000 0.860 284 D CB -1.431 39.376 40.800 0.011 0.000 0.931 284 D HN 0.394 nan 8.370 nan 0.000 0.448 285 I N -3.145 117.430 120.570 0.009 0.000 3.904 285 I HA 0.474 4.644 4.170 -0.000 0.000 0.333 285 I C 0.472 176.593 176.117 0.007 0.000 1.361 285 I CA -0.809 60.492 61.300 0.003 0.000 1.116 285 I CB -0.098 37.899 38.000 -0.005 0.000 1.028 285 I HN -0.014 nan 8.210 nan 0.000 0.398 286 A N 1.723 124.553 122.820 0.017 0.000 2.524 286 A HA 0.487 4.807 4.320 -0.000 0.000 0.250 286 A C 1.429 179.021 177.584 0.013 0.000 1.078 286 A CA 0.859 52.910 52.037 0.022 0.000 0.761 286 A CB -0.371 18.652 19.000 0.038 0.000 1.012 286 A HN 0.948 nan 8.150 nan 0.000 0.500 287 G N 1.246 110.053 108.800 0.011 0.000 2.397 287 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.211 287 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.211 287 G C 0.900 175.800 174.900 -0.001 0.000 1.077 287 G CA 0.442 45.545 45.100 0.006 0.000 0.649 287 G HN 0.733 nan 8.290 nan 0.000 0.511 288 Q N 1.140 120.938 119.800 -0.002 0.000 2.561 288 Q HA 0.252 4.592 4.340 -0.000 0.000 0.217 288 Q C 1.777 177.772 176.000 -0.009 0.000 0.980 288 Q CA 0.764 56.563 55.803 -0.006 0.000 0.927 288 Q CB -0.333 28.401 28.738 -0.007 0.000 0.980 288 Q HN 1.686 nan 8.270 nan 0.000 0.525 289 G N 2.584 111.379 108.800 -0.008 0.000 2.395 289 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.300 289 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.300 289 G C 0.473 175.363 174.900 -0.018 0.000 0.998 289 G CA 1.211 46.303 45.100 -0.013 0.000 1.046 289 G HN 0.575 nan 8.290 nan 0.000 0.513 290 K N -1.470 118.919 120.400 -0.018 0.000 2.438 290 K HA 0.700 5.020 4.320 -0.000 0.000 0.206 290 K C 1.058 177.639 176.600 -0.033 0.000 1.081 290 K CA 0.279 56.552 56.287 -0.023 0.000 1.053 290 K CB 0.748 33.236 32.500 -0.019 0.000 0.908 290 K HN 0.851 nan 8.250 nan 0.000 0.556 291 A N 2.070 124.870 122.820 -0.035 0.000 2.498 291 A HA 0.060 4.380 4.320 -0.000 0.000 0.239 291 A C -0.303 177.243 177.584 -0.064 0.000 1.068 291 A CA -0.237 51.765 52.037 -0.057 0.000 0.766 291 A CB 0.031 19.008 19.000 -0.040 0.000 1.003 291 A HN 0.418 nan 8.150 nan 0.000 0.497 292 N N 2.301 120.939 118.700 -0.103 0.000 2.430 292 N HA 0.243 4.983 4.740 -0.000 0.000 0.265 292 N C -1.717 173.759 175.510 -0.057 0.000 1.100 292 N CA -1.946 51.055 53.050 -0.082 0.000 0.961 292 N CB 1.255 39.682 38.487 -0.101 0.000 1.075 292 N HN 0.360 nan 8.380 nan 0.000 0.478 293 P HA 0.061 nan 4.420 nan 0.000 0.252 293 P C 1.427 178.747 177.300 0.034 0.000 1.218 293 P CA 0.213 63.323 63.100 0.017 0.000 0.807 293 P CB 0.622 32.323 31.700 0.002 0.000 1.072 294 L N -0.143 121.089 121.223 0.014 0.000 2.043 294 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 294 L C 2.753 179.662 176.870 0.064 0.000 1.075 294 L CA 2.193 57.044 54.840 0.019 0.000 0.752 294 L CB -1.984 40.061 42.059 -0.023 0.000 0.891 294 L HN 0.068 nan 8.230 nan 0.000 0.432 295 G N -0.089 108.774 108.800 0.106 0.000 2.459 295 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 295 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 295 G C 1.556 176.532 174.900 0.128 0.000 1.183 295 G CA 1.459 46.653 45.100 0.156 0.000 0.776 295 G HN 0.361 nan 8.290 nan 0.000 0.552 296 T N 0.654 115.288 114.554 0.134 0.000 2.867 296 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 296 T C 2.447 177.185 174.700 0.062 0.000 1.057 296 T CA 1.064 63.218 62.100 0.090 0.000 1.136 296 T CB -0.085 68.837 68.868 0.091 0.000 0.874 296 T HN 0.083 nan 8.240 nan 0.000 0.466 297 V N 1.319 121.265 119.914 0.053 0.000 2.488 297 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 297 V C 2.401 178.517 176.094 0.036 0.000 1.046 297 V CA 1.081 63.400 62.300 0.031 0.000 1.053 297 V CB -0.602 31.232 31.823 0.018 0.000 0.679 297 V HN 0.441 nan 8.190 nan 0.000 0.458 298 L N -0.118 121.140 121.223 0.058 0.000 2.141 298 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 298 L C 2.567 179.477 176.870 0.066 0.000 1.094 298 L CA 1.344 56.224 54.840 0.067 0.000 0.763 298 L CB -0.581 41.539 42.059 0.101 0.000 0.908 298 L HN 0.313 nan 8.230 nan 0.000 0.437 299 S N 0.141 115.890 115.700 0.082 0.000 2.382 299 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 299 S C 2.213 176.832 174.600 0.031 0.000 1.027 299 S CA 1.138 59.407 58.200 0.115 0.000 0.991 299 S CB -0.231 63.049 63.200 0.133 0.000 0.823 299 S HN 0.505 nan 8.310 nan 0.000 0.469 300 A N 1.584 124.402 122.820 -0.002 0.000 1.930 300 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 300 A C 2.350 179.871 177.584 -0.104 0.000 1.175 300 A CA 1.487 53.488 52.037 -0.060 0.000 0.627 300 A CB -0.989 18.001 19.000 -0.017 0.000 0.815 300 A HN 0.503 nan 8.150 nan 0.000 0.443 301 A N -0.208 122.576 122.820 -0.060 0.000 1.933 301 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 301 A C 2.153 179.657 177.584 -0.133 0.000 1.175 301 A CA 1.379 53.371 52.037 -0.074 0.000 0.628 301 A CB -0.537 18.443 19.000 -0.034 0.000 0.814 301 A HN 0.471 nan 8.150 nan 0.000 0.444 302 L N -1.147 120.014 121.223 -0.103 0.000 2.017 302 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 302 L C 2.844 179.539 176.870 -0.292 0.000 1.073 302 L CA 1.906 56.694 54.840 -0.087 0.000 0.745 302 L CB -0.519 41.680 42.059 0.233 0.000 0.894 302 L HN 0.608 nan 8.230 nan 0.000 0.432 303 M N 0.066 119.222 119.600 -0.740 0.000 2.082 303 M HA -0.285 4.195 4.480 -0.000 0.000 0.258 303 M C 2.305 178.333 176.300 -0.454 0.000 1.069 303 M CA 1.991 56.496 55.300 -1.326 0.000 1.102 303 M CB -0.182 31.743 32.600 -1.124 0.000 1.336 303 M HN 0.204 nan 8.290 nan 0.000 0.404 304 L N -0.499 120.605 121.223 -0.199 0.000 2.012 304 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 304 L C 2.847 179.679 176.870 -0.064 0.000 1.073 304 L CA 1.765 56.609 54.840 0.006 0.000 0.748 304 L CB -0.915 41.111 42.059 -0.054 0.000 0.891 304 L HN 0.430 nan 8.230 nan 0.000 0.431 305 R N -0.435 119.932 120.500 -0.222 0.000 2.075 305 R HA -0.195 4.145 4.340 -0.000 0.000 0.230 305 R C 2.491 178.629 176.300 -0.270 0.000 1.140 305 R CA 2.016 57.926 56.100 -0.316 0.000 0.928 305 R CB -0.375 29.569 30.300 -0.594 0.000 0.834 305 R HN 0.210 nan 8.270 nan 0.000 0.429 306 Y N -0.189 120.095 120.300 -0.026 0.000 2.314 306 Y HA 0.032 4.582 4.550 -0.000 0.000 0.293 306 Y C 2.490 178.324 175.900 -0.111 0.000 1.129 306 Y CA 0.873 58.964 58.100 -0.014 0.000 1.201 306 Y CB -0.097 38.412 38.460 0.082 0.000 0.999 306 Y HN 0.067 nan 8.280 nan 0.000 0.541 307 S N -1.482 114.118 115.700 -0.166 0.000 2.524 307 S HA 0.135 4.605 4.470 -0.000 0.000 0.216 307 S C 0.580 174.557 174.600 -1.039 0.000 0.987 307 S CA 0.401 58.220 58.200 -0.635 0.000 0.909 307 S CB -0.019 62.597 63.200 -0.973 0.000 0.781 307 S HN 0.369 nan 8.310 nan 0.000 0.521 308 F N -0.883 119.065 119.950 -0.003 0.000 2.938 308 F HA 0.353 4.880 4.527 -0.000 0.000 0.370 308 F C 1.550 177.345 175.800 -0.008 0.000 0.981 308 F CA 0.084 58.078 58.000 -0.011 0.000 1.108 308 F CB 0.043 39.010 39.000 -0.055 0.000 1.086 308 F HN 0.132 nan 8.300 nan 0.000 0.569 309 G N 0.917 109.777 108.800 0.101 0.000 2.157 309 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 309 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 309 G C 0.175 175.103 174.900 0.047 0.000 0.979 309 G CA -0.053 45.084 45.100 0.062 0.000 0.650 309 G HN 0.115 nan 8.290 nan 0.000 0.529 310 L N 1.571 122.821 121.223 0.044 0.000 2.511 310 L HA 0.400 4.740 4.340 -0.000 0.000 0.239 310 L C 2.155 179.012 176.870 -0.022 0.000 1.400 310 L CA 1.337 56.182 54.840 0.007 0.000 1.226 310 L CB -1.580 40.448 42.059 -0.052 0.000 1.475 310 L HN 0.640 nan 8.230 nan 0.000 0.428 311 E N 0.873 121.062 120.200 -0.018 0.000 2.352 311 E HA -0.235 4.115 4.350 -0.000 0.000 0.203 311 E C 1.715 178.298 176.600 -0.027 0.000 1.024 311 E CA 1.451 57.831 56.400 -0.035 0.000 0.842 311 E CB -0.150 29.542 29.700 -0.014 0.000 0.753 311 E HN 0.433 nan 8.360 nan 0.000 0.508 312 K N -1.111 119.282 120.400 -0.012 0.000 2.329 312 K HA 0.154 4.474 4.320 -0.000 0.000 0.198 312 K C 2.129 178.722 176.600 -0.011 0.000 1.085 312 K CA 0.839 57.123 56.287 -0.005 0.000 0.961 312 K CB 0.121 32.627 32.500 0.011 0.000 0.971 312 K HN 0.333 nan 8.250 nan 0.000 0.502 313 E N 1.820 122.008 120.200 -0.020 0.000 2.085 313 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 313 E C 1.911 178.486 176.600 -0.041 0.000 0.994 313 E CA 1.693 58.071 56.400 -0.037 0.000 0.801 313 E CB -0.275 29.370 29.700 -0.093 0.000 0.743 313 E HN 0.313 nan 8.360 nan 0.000 0.453 314 A N 0.915 123.703 122.820 -0.054 0.000 1.845 314 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 314 A C 2.421 179.983 177.584 -0.036 0.000 1.195 314 A CA 2.126 54.127 52.037 -0.061 0.000 0.616 314 A CB -1.177 17.763 19.000 -0.100 0.000 0.832 314 A HN 0.306 nan 8.150 nan 0.000 0.443 315 A N -0.192 122.609 122.820 -0.031 0.000 1.948 315 A HA 0.031 4.351 4.320 -0.000 0.000 0.220 315 A C 2.481 180.066 177.584 0.002 0.000 1.177 315 A CA 2.479 54.509 52.037 -0.011 0.000 0.636 315 A CB -1.090 17.905 19.000 -0.008 0.000 0.815 315 A HN 1.206 nan 8.150 nan 0.000 0.449 316 A N 0.059 122.879 122.820 -0.000 0.000 1.883 316 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 316 A C 2.126 179.716 177.584 0.010 0.000 1.186 316 A CA 1.674 53.715 52.037 0.007 0.000 0.624 316 A CB -0.639 18.364 19.000 0.004 0.000 0.822 316 A HN 0.555 nan 8.150 nan 0.000 0.444 317 I N -0.545 120.028 120.570 0.004 0.000 2.142 317 I HA -0.264 3.905 4.170 -0.000 0.000 0.240 317 I C 2.505 178.636 176.117 0.025 0.000 1.078 317 I CA 1.716 63.022 61.300 0.009 0.000 1.343 317 I CB -0.721 37.279 38.000 -0.001 0.000 1.046 317 I HN 0.413 nan 8.210 nan 0.000 0.405 318 E N 0.731 120.948 120.200 0.029 0.000 2.070 318 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 318 E C 2.337 178.978 176.600 0.069 0.000 1.004 318 E CA 1.799 58.234 56.400 0.058 0.000 0.805 318 E CB -0.205 29.524 29.700 0.048 0.000 0.744 318 E HN 0.204 nan 8.360 nan 0.000 0.451 319 K N 0.522 120.951 120.400 0.048 0.000 2.097 319 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 319 K C 2.071 178.699 176.600 0.045 0.000 1.049 319 K CA 1.053 57.370 56.287 0.050 0.000 0.933 319 K CB -0.570 31.951 32.500 0.034 0.000 0.717 319 K HN 0.316 nan 8.250 nan 0.000 0.442 320 A N 0.355 123.196 122.820 0.034 0.000 1.865 320 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 320 A C 2.390 179.991 177.584 0.027 0.000 1.191 320 A CA 2.090 54.143 52.037 0.028 0.000 0.623 320 A CB -0.953 18.059 19.000 0.020 0.000 0.826 320 A HN 0.332 nan 8.150 nan 0.000 0.444 321 V N 0.599 120.528 119.914 0.026 0.000 2.546 321 V HA -0.268 3.852 4.120 -0.000 0.000 0.254 321 V C 2.200 178.285 176.094 -0.016 0.000 1.076 321 V CA 2.535 64.836 62.300 0.003 0.000 1.087 321 V CB -0.845 30.987 31.823 0.014 0.000 0.674 321 V HN 0.716 nan 8.190 nan 0.000 0.470 322 D N -0.665 119.763 120.400 0.048 0.000 2.249 322 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 322 D C 1.668 177.994 176.300 0.043 0.000 0.962 322 D CA 0.659 54.706 54.000 0.078 0.000 0.860 322 D CB 0.042 40.942 40.800 0.166 0.000 0.955 322 D HN 0.394 nan 8.370 nan 0.000 0.505 323 D N -0.601 119.820 120.400 0.036 0.000 2.120 323 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 323 D C 2.222 178.537 176.300 0.026 0.000 0.972 323 D CA 0.612 54.630 54.000 0.030 0.000 0.837 323 D CB -0.295 40.525 40.800 0.033 0.000 0.989 323 D HN 0.092 nan 8.370 nan 0.000 0.469 324 V N 1.076 121.014 119.914 0.040 0.000 2.568 324 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 324 V C 2.405 178.527 176.094 0.048 0.000 1.072 324 V CA 1.081 63.432 62.300 0.085 0.000 1.084 324 V CB -0.405 31.474 31.823 0.093 0.000 0.676 324 V HN 0.216 nan 8.190 nan 0.000 0.469 325 L N -0.913 120.301 121.223 -0.015 0.000 2.418 325 L HA -0.055 4.285 4.340 -0.000 0.000 0.218 325 L C 2.426 179.266 176.870 -0.049 0.000 1.125 325 L CA 0.642 55.451 54.840 -0.051 0.000 0.835 325 L CB -0.207 41.776 42.059 -0.126 0.000 0.953 325 L HN 0.302 nan 8.230 nan 0.000 0.454 326 Q N -0.269 119.512 119.800 -0.032 0.000 2.311 326 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 326 Q C 1.219 177.176 176.000 -0.073 0.000 0.954 326 Q CA 0.990 56.774 55.803 -0.031 0.000 0.885 326 Q CB 0.176 28.912 28.738 -0.003 0.000 0.963 326 Q HN 0.313 nan 8.270 nan 0.000 0.471 327 D N -1.830 118.502 120.400 -0.115 0.000 2.339 327 D HA 0.168 4.808 4.640 -0.000 0.000 0.217 327 D C 0.577 176.638 176.300 -0.398 0.000 1.050 327 D CA 0.819 54.686 54.000 -0.222 0.000 0.856 327 D CB 0.726 41.399 40.800 -0.213 0.000 0.922 327 D HN 0.339 nan 8.370 nan 0.000 0.518 328 G N 0.455 109.080 108.800 -0.291 0.000 2.144 328 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 328 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 328 G C -0.215 174.528 174.900 -0.262 0.000 0.988 328 G CA -0.439 44.497 45.100 -0.273 0.000 0.659 328 G HN 0.188 nan 8.290 nan 0.000 0.522 329 Y N 0.562 120.846 120.300 -0.027 0.000 2.310 329 Y HA 0.625 5.175 4.550 -0.000 0.000 0.326 329 Y C 1.187 177.062 175.900 -0.041 0.000 1.151 329 Y CA -0.914 57.168 58.100 -0.030 0.000 1.195 329 Y CB 1.117 39.560 38.460 -0.029 0.000 1.210 329 Y HN 0.782 nan 8.280 nan 0.000 0.483 330 C N -1.659 117.730 119.300 0.148 0.000 3.292 330 C HA 0.431 4.891 4.460 -0.000 0.000 0.338 330 C C 0.894 175.902 174.990 0.030 0.000 1.323 330 C CA -0.468 58.579 59.018 0.049 0.000 1.232 330 C CB 1.163 28.913 27.740 0.016 0.000 1.517 330 C HN 0.878 nan 8.230 nan 0.000 0.470 331 T N -2.132 112.421 114.554 -0.001 0.000 3.081 331 T HA 0.516 4.866 4.350 -0.000 0.000 0.250 331 T C 1.321 176.014 174.700 -0.013 0.000 1.100 331 T CA 1.378 63.471 62.100 -0.012 0.000 1.038 331 T CB 0.182 69.034 68.868 -0.028 0.000 0.962 331 T HN 2.507 nan 8.240 nan 0.000 0.516 332 G N 2.312 111.106 108.800 -0.010 0.000 3.330 332 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.197 332 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.197 332 G C 0.800 175.693 174.900 -0.012 0.000 1.284 332 G CA 0.428 45.523 45.100 -0.010 0.000 0.921 332 G HN 0.519 nan 8.290 nan 0.000 0.466 333 D N 1.708 122.096 120.400 -0.021 0.000 2.144 333 D HA 0.007 4.647 4.640 -0.000 0.000 0.200 333 D C 1.527 177.819 176.300 -0.013 0.000 0.978 333 D CA 0.433 54.421 54.000 -0.019 0.000 0.833 333 D CB -0.467 40.314 40.800 -0.032 0.000 0.961 333 D HN 0.506 nan 8.370 nan 0.000 0.470 334 L N 0.844 122.057 121.223 -0.017 0.000 2.525 334 L HA -0.025 4.315 4.340 -0.000 0.000 0.278 334 L C 1.141 178.007 176.870 -0.007 0.000 1.218 334 L CA 0.251 55.082 54.840 -0.015 0.000 0.878 334 L CB 0.161 42.204 42.059 -0.027 0.000 1.127 334 L HN 0.051 nan 8.230 nan 0.000 0.492 335 Q N 3.216 123.016 119.800 -0.001 0.000 2.465 335 Q HA 0.193 4.533 4.340 -0.000 0.000 0.361 335 Q C 0.114 176.115 176.000 0.001 0.000 0.957 335 Q CA -0.500 55.304 55.803 0.002 0.000 1.065 335 Q CB 0.526 29.269 28.738 0.009 0.000 1.274 335 Q HN 0.647 nan 8.270 nan 0.000 0.421 336 V N -1.924 117.986 119.914 -0.007 0.000 4.012 336 V HA 0.311 4.431 4.120 -0.000 0.000 0.284 336 V C 1.044 177.130 176.094 -0.013 0.000 1.020 336 V CA 0.406 62.699 62.300 -0.012 0.000 1.039 336 V CB -0.388 31.420 31.823 -0.024 0.000 1.203 336 V HN 0.426 nan 8.190 nan 0.000 0.456 337 A N 0.300 123.106 122.820 -0.023 0.000 2.668 337 A HA 0.118 4.438 4.320 -0.000 0.000 0.223 337 A C 1.502 179.071 177.584 -0.025 0.000 1.896 337 A CA 0.703 52.725 52.037 -0.024 0.000 0.922 337 A CB -0.988 17.990 19.000 -0.037 0.000 1.713 337 A HN 0.954 nan 8.150 nan 0.000 0.750 338 N N 0.569 119.251 118.700 -0.031 0.000 2.519 338 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 338 N C 1.103 176.596 175.510 -0.030 0.000 1.062 338 N CA 0.919 53.954 53.050 -0.026 0.000 0.910 338 N CB -0.857 37.613 38.487 -0.029 0.000 0.958 338 N HN 0.856 nan 8.380 nan 0.000 0.445 339 G N 1.544 110.317 108.800 -0.045 0.000 2.987 339 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.271 339 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.271 339 G C -0.413 174.480 174.900 -0.012 0.000 0.332 339 G CA 0.140 45.210 45.100 -0.049 0.000 1.198 339 G HN 0.297 nan 8.290 nan 0.000 0.223 340 K N 1.330 121.735 120.400 0.009 0.000 2.264 340 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 340 K C 0.216 176.912 176.600 0.159 0.000 1.067 340 K CA -0.695 55.659 56.287 0.111 0.000 0.900 340 K CB 1.726 34.361 32.500 0.224 0.000 1.124 340 K HN 0.291 nan 8.250 nan 0.000 0.469 341 V N 4.657 124.623 119.914 0.085 0.000 2.555 341 V HA 0.179 4.299 4.120 -0.000 0.000 0.286 341 V C 0.256 176.379 176.094 0.047 0.000 1.044 341 V CA -0.425 61.910 62.300 0.059 0.000 1.026 341 V CB 0.740 32.580 31.823 0.028 0.000 0.981 341 V HN 0.574 nan 8.190 nan 0.000 0.480 342 V N 1.992 121.920 119.914 0.024 0.000 3.160 342 V HA 0.835 4.955 4.120 -0.000 0.000 0.310 342 V C 0.055 176.131 176.094 -0.030 0.000 1.181 342 V CA -0.563 61.725 62.300 -0.021 0.000 1.047 342 V CB 1.955 33.729 31.823 -0.082 0.000 1.068 342 V HN 0.867 nan 8.190 nan 0.000 0.441 343 S N 0.507 116.182 115.700 -0.041 0.000 2.596 343 S HA 0.150 4.620 4.470 -0.000 0.000 0.260 343 S C 1.140 175.715 174.600 -0.042 0.000 1.336 343 S CA 0.605 58.783 58.200 -0.036 0.000 0.993 343 S CB 0.642 63.821 63.200 -0.035 0.000 0.923 343 S HN 1.059 nan 8.310 nan 0.000 0.567 344 T N 1.676 116.209 114.554 -0.034 0.000 2.665 344 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 344 T C 1.704 176.380 174.700 -0.039 0.000 1.035 344 T CA 2.023 64.103 62.100 -0.033 0.000 1.151 344 T CB -0.647 68.206 68.868 -0.025 0.000 0.862 344 T HN 0.607 nan 8.240 nan 0.000 0.438 345 I N 0.701 121.246 120.570 -0.041 0.000 2.252 345 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 345 I C 2.753 178.832 176.117 -0.063 0.000 1.102 345 I CA 1.263 62.535 61.300 -0.046 0.000 1.385 345 I CB -0.487 37.489 38.000 -0.041 0.000 1.064 345 I HN 0.209 nan 8.210 nan 0.000 0.414 346 E N 2.016 122.170 120.200 -0.076 0.000 2.049 346 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 346 E C 2.237 178.754 176.600 -0.138 0.000 1.007 346 E CA 1.637 57.969 56.400 -0.114 0.000 0.809 346 E CB -0.499 29.123 29.700 -0.130 0.000 0.749 346 E HN 0.366 nan 8.360 nan 0.000 0.450 347 L N 0.253 121.407 121.223 -0.116 0.000 2.043 347 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 347 L C 2.255 179.080 176.870 -0.075 0.000 1.075 347 L CA 2.182 56.963 54.840 -0.099 0.000 0.752 347 L CB -0.774 41.253 42.059 -0.054 0.000 0.891 347 L HN 0.345 nan 8.230 nan 0.000 0.432 348 T N -1.038 113.479 114.554 -0.061 0.000 2.720 348 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 348 T C 1.430 176.098 174.700 -0.052 0.000 1.037 348 T CA 1.523 63.594 62.100 -0.048 0.000 1.144 348 T CB -0.298 68.544 68.868 -0.044 0.000 0.864 348 T HN 0.372 nan 8.240 nan 0.000 0.444 349 D N 0.765 121.124 120.400 -0.068 0.000 2.144 349 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 349 D C 2.393 178.652 176.300 -0.068 0.000 0.984 349 D CA 0.724 54.684 54.000 -0.067 0.000 0.834 349 D CB -0.123 40.628 40.800 -0.081 0.000 0.955 349 D HN 0.175 nan 8.370 nan 0.000 0.465 350 R N 0.302 120.745 120.500 -0.094 0.000 2.115 350 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 350 R C 2.481 178.772 176.300 -0.016 0.000 1.111 350 R CA 0.241 56.299 56.100 -0.071 0.000 0.976 350 R CB -0.648 29.589 30.300 -0.105 0.000 0.870 350 R HN 0.322 nan 8.270 nan 0.000 0.445 351 L N 0.090 121.301 121.223 -0.019 0.000 2.034 351 L HA -0.084 4.256 4.340 -0.000 0.000 0.203 351 L C 2.260 179.126 176.870 -0.005 0.000 1.074 351 L CA 0.654 55.491 54.840 -0.005 0.000 0.748 351 L CB -0.448 41.605 42.059 -0.009 0.000 0.905 351 L HN 0.002 nan 8.230 nan 0.000 0.439 352 I N 0.325 120.886 120.570 -0.014 0.000 2.236 352 I HA -0.337 3.833 4.170 -0.000 0.000 0.249 352 I C 2.395 178.509 176.117 -0.006 0.000 1.102 352 I CA 1.649 62.943 61.300 -0.011 0.000 1.365 352 I CB -1.025 36.964 38.000 -0.018 0.000 1.051 352 I HN 0.419 nan 8.210 nan 0.000 0.420 353 E N 0.783 120.978 120.200 -0.008 0.000 2.001 353 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 353 E C 2.182 178.787 176.600 0.009 0.000 1.002 353 E CA 1.079 57.479 56.400 -0.001 0.000 0.819 353 E CB 0.009 29.708 29.700 -0.002 0.000 0.769 353 E HN 0.211 nan 8.360 nan 0.000 0.454 354 K N 0.453 120.863 120.400 0.016 0.000 2.189 354 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 354 K C 1.350 177.959 176.600 0.016 0.000 1.046 354 K CA 0.632 56.932 56.287 0.022 0.000 0.928 354 K CB -0.463 32.054 32.500 0.027 0.000 0.720 354 K HN 0.113 nan 8.250 nan 0.000 0.458 355 L N 2.244 123.474 121.223 0.012 0.000 3.163 355 L HA -0.041 4.299 4.340 -0.000 0.000 0.261 355 L C 0.201 177.078 176.870 0.011 0.000 1.313 355 L CA 0.682 55.529 54.840 0.011 0.000 1.111 355 L CB -1.947 40.117 42.059 0.007 0.000 1.511 355 L HN 0.352 nan 8.230 nan 0.000 0.419 356 N N 0.000 118.707 118.700 0.012 0.000 1.763 356 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 356 N CA 0.000 53.057 53.050 0.012 0.000 0.885 356 N CB 0.000 38.493 38.487 0.010 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667