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 3ih9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTGAEKPGTG WDAAVYPRWQ EAAADRAALS AATGGGAVHE AAAAAARDEN DATA SEQUENCE DGPIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPERIL 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 R N 0.550 121.064 120.500 0.022 0.000 2.368 2 R HA 0.535 4.875 4.340 -0.001 0.000 0.302 2 R C -0.246 176.087 176.300 0.055 0.000 1.002 2 R CA -0.571 55.561 56.100 0.053 0.000 0.929 2 R CB 0.732 31.064 30.300 0.055 0.000 1.073 2 R HN 0.678 nan 8.270 nan 0.000 0.464 3 H N 4.615 123.694 119.070 0.015 0.000 3.094 3 H HA -0.001 4.554 4.556 -0.001 0.000 0.320 3 H C -1.415 173.893 175.328 -0.033 0.000 1.000 3 H CA -1.051 54.987 56.048 -0.016 0.000 1.413 3 H CB 1.348 31.102 29.762 -0.013 0.000 1.405 3 H HN 0.593 nan 8.280 nan 0.000 0.586 4 P HA -0.082 nan 4.420 nan 0.000 0.225 4 P C 1.714 179.109 177.300 0.158 0.000 1.156 4 P CA 0.726 63.870 63.100 0.073 0.000 0.787 4 P CB 0.440 32.142 31.700 0.002 0.000 0.802 5 I N 1.969 122.652 120.570 0.189 0.000 2.142 5 I HA -0.117 4.052 4.170 -0.001 0.000 0.240 5 I C -0.275 175.916 176.117 0.123 0.000 1.078 5 I CA 1.606 62.949 61.300 0.071 0.000 1.343 5 I CB -2.185 35.613 38.000 -0.336 0.000 1.046 5 I HN 0.013 nan 8.210 nan 0.000 0.405 6 P HA -0.163 nan 4.420 nan 0.000 0.221 6 P C 0.656 178.015 177.300 0.099 0.000 1.145 6 P CA 1.539 64.698 63.100 0.098 0.000 0.795 6 P CB -0.123 31.637 31.700 0.100 0.000 0.775 7 D N -1.117 119.350 120.400 0.111 0.000 2.149 7 D HA -0.150 4.490 4.640 -0.001 0.000 0.201 7 D C 1.982 178.332 176.300 0.083 0.000 0.972 7 D CA 0.889 54.938 54.000 0.081 0.000 0.835 7 D CB -0.934 39.914 40.800 0.081 0.000 0.966 7 D HN 0.233 nan 8.370 nan 0.000 0.476 8 Y N 1.747 122.085 120.300 0.063 0.000 2.224 8 Y HA -0.144 4.405 4.550 -0.001 0.000 0.289 8 Y C 2.094 178.010 175.900 0.026 0.000 1.146 8 Y CA 1.273 59.411 58.100 0.064 0.000 1.182 8 Y CB -0.331 38.236 38.460 0.178 0.000 0.983 8 Y HN -0.119 nan 8.280 nan 0.000 0.524 9 L N -0.115 121.134 121.223 0.044 0.000 2.027 9 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 9 L C 2.855 179.619 176.870 -0.177 0.000 1.074 9 L CA 1.127 55.932 54.840 -0.059 0.000 0.745 9 L CB -1.106 41.016 42.059 0.106 0.000 0.898 9 L HN 0.341 nan 8.230 nan 0.000 0.433 10 A N -0.630 122.126 122.820 -0.107 0.000 1.933 10 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 10 A C 2.560 180.047 177.584 -0.162 0.000 1.175 10 A CA 2.071 54.037 52.037 -0.118 0.000 0.628 10 A CB -0.681 18.286 19.000 -0.055 0.000 0.814 10 A HN 0.394 nan 8.150 nan 0.000 0.444 11 S N -0.689 114.901 115.700 -0.185 0.000 2.368 11 S HA -0.094 4.375 4.470 -0.001 0.000 0.225 11 S C 1.955 176.397 174.600 -0.262 0.000 1.030 11 S CA 1.363 59.443 58.200 -0.201 0.000 0.999 11 S CB -0.427 62.648 63.200 -0.209 0.000 0.844 11 S HN 0.514 nan 8.310 nan 0.000 0.459 12 L N 1.094 122.078 121.223 -0.398 0.000 2.093 12 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 12 L C 2.404 179.118 176.870 -0.261 0.000 1.085 12 L CA 1.171 55.798 54.840 -0.354 0.000 0.755 12 L CB -0.378 41.422 42.059 -0.432 0.000 0.904 12 L HN 0.258 nan 8.230 nan 0.000 0.435 13 V N -0.561 119.138 119.914 -0.359 0.000 2.332 13 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 13 V C 2.459 178.426 176.094 -0.213 0.000 1.055 13 V CA 2.378 64.368 62.300 -0.518 0.000 1.038 13 V CB -0.694 30.834 31.823 -0.492 0.000 0.651 13 V HN 0.495 nan 8.190 nan 0.000 0.450 14 T N -1.115 113.354 114.554 -0.141 0.000 2.904 14 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 14 T C 1.840 176.523 174.700 -0.029 0.000 1.059 14 T CA 1.345 63.408 62.100 -0.062 0.000 1.137 14 T CB -0.035 68.794 68.868 -0.064 0.000 0.879 14 T HN 0.574 nan 8.240 nan 0.000 0.467 15 E N 0.796 120.966 120.200 -0.050 0.000 2.028 15 E HA -0.025 4.324 4.350 -0.001 0.000 0.190 15 E C 2.078 178.694 176.600 0.027 0.000 0.984 15 E CA 0.762 57.147 56.400 -0.025 0.000 0.800 15 E CB -0.080 29.585 29.700 -0.057 0.000 0.758 15 E HN 0.398 nan 8.360 nan 0.000 0.448 16 L N -0.063 121.209 121.223 0.081 0.000 2.217 16 L HA 0.003 4.342 4.340 -0.001 0.000 0.211 16 L C 2.449 179.438 176.870 0.199 0.000 1.107 16 L CA 0.766 55.704 54.840 0.163 0.000 0.783 16 L CB -0.380 41.858 42.059 0.297 0.000 0.919 16 L HN 0.240 nan 8.230 nan 0.000 0.442 17 G N -0.213 108.741 108.800 0.256 0.000 2.625 17 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.214 17 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.214 17 G C 1.758 176.708 174.900 0.084 0.000 1.132 17 G CA 0.691 45.928 45.100 0.227 0.000 0.782 17 G HN 0.434 nan 8.290 nan 0.000 0.538 18 A N -0.178 122.675 122.820 0.054 0.000 1.917 18 A HA 0.194 4.514 4.320 -0.001 0.000 0.219 18 A C 1.517 179.106 177.584 0.009 0.000 1.182 18 A CA 1.901 53.951 52.037 0.022 0.000 0.633 18 A CB -0.561 18.447 19.000 0.012 0.000 0.819 18 A HN 0.951 nan 8.150 nan 0.000 0.448 19 V N -5.043 114.872 119.914 0.001 0.000 3.164 19 V HA 0.785 4.905 4.120 -0.001 0.000 0.313 19 V C -0.426 175.640 176.094 -0.047 0.000 1.188 19 V CA -0.835 61.453 62.300 -0.020 0.000 1.058 19 V CB 1.829 33.639 31.823 -0.022 0.000 1.110 19 V HN 0.193 nan 8.190 nan 0.000 0.453 20 N N 1.575 120.238 118.700 -0.062 0.000 2.679 20 N HA 0.383 5.122 4.740 -0.001 0.000 0.240 20 N C -2.715 172.742 175.510 -0.088 0.000 1.537 20 N CA -0.740 52.251 53.050 -0.099 0.000 0.793 20 N CB 0.751 39.181 38.487 -0.094 0.000 1.391 20 N HN 0.808 nan 8.380 nan 0.000 0.524 21 P HA 0.419 nan 4.420 nan 0.000 0.272 21 P C 0.756 178.013 177.300 -0.071 0.000 1.240 21 P CA 0.576 63.638 63.100 -0.063 0.000 0.791 21 P CB 0.689 32.359 31.700 -0.050 0.000 0.978 22 G N 0.872 109.639 108.800 -0.054 0.000 2.527 22 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.227 22 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.227 22 G C -0.965 173.903 174.900 -0.053 0.000 1.291 22 G CA 0.216 45.285 45.100 -0.052 0.000 0.904 22 G HN 0.970 nan 8.290 nan 0.000 0.577 23 E N -2.069 118.099 120.200 -0.054 0.000 2.416 23 E HA 0.605 4.954 4.350 -0.001 0.000 0.280 23 E C -0.020 176.548 176.600 -0.053 0.000 1.055 23 E CA -0.438 55.931 56.400 -0.051 0.000 0.825 23 E CB 0.813 30.492 29.700 -0.036 0.000 1.312 23 E HN 1.268 nan 8.360 nan 0.000 0.452 24 T N -1.189 113.332 114.554 -0.055 0.000 2.766 24 T HA 0.484 4.834 4.350 -0.001 0.000 0.295 24 T C 0.688 175.363 174.700 -0.043 0.000 1.024 24 T CA -0.330 61.737 62.100 -0.055 0.000 1.018 24 T CB 0.808 69.643 68.868 -0.056 0.000 1.002 24 T HN 0.753 nan 8.240 nan 0.000 0.532 25 A N 1.892 124.686 122.820 -0.044 0.000 2.484 25 A HA 0.208 4.527 4.320 -0.001 0.000 0.268 25 A C 1.457 178.983 177.584 -0.096 0.000 1.114 25 A CA -0.566 51.454 52.037 -0.029 0.000 0.780 25 A CB -0.060 18.928 19.000 -0.021 0.000 1.061 25 A HN 0.834 nan 8.150 nan 0.000 0.505 26 Q N 2.024 121.809 119.800 -0.025 0.000 2.331 26 Q HA -0.125 4.214 4.340 -0.001 0.000 0.203 26 Q C 1.529 177.516 176.000 -0.022 0.000 0.944 26 Q CA 1.477 57.261 55.803 -0.032 0.000 0.892 26 Q CB -0.409 28.333 28.738 0.007 0.000 0.983 26 Q HN 1.110 nan 8.270 nan 0.000 0.482 27 Y N 1.370 121.667 120.300 -0.005 0.000 2.425 27 Y HA -0.107 4.442 4.550 -0.001 0.000 0.285 27 Y C 0.785 176.683 175.900 -0.004 0.000 1.170 27 Y CA 0.270 58.367 58.100 -0.005 0.000 1.304 27 Y CB -0.531 37.926 38.460 -0.006 0.000 0.972 27 Y HN 0.045 nan 8.280 nan 0.000 0.558 28 I N -3.888 116.463 120.570 -0.365 0.000 2.827 28 I HA 0.372 4.542 4.170 -0.001 0.000 0.298 28 I C -2.247 173.752 176.117 -0.197 0.000 1.235 28 I CA -2.620 58.537 61.300 -0.238 0.000 1.021 28 I CB 2.243 40.058 38.000 -0.308 0.000 1.259 28 I HN -0.435 nan 8.210 nan 0.000 0.427 29 P HA -0.148 nan 4.420 nan 0.000 0.217 29 P C 1.641 178.900 177.300 -0.069 0.000 1.150 29 P CA 1.086 64.147 63.100 -0.065 0.000 0.832 29 P CB 0.581 32.263 31.700 -0.031 0.000 0.787 30 V N -0.219 119.651 119.914 -0.073 0.000 2.490 30 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 30 V C 2.473 178.528 176.094 -0.065 0.000 1.061 30 V CA 1.608 63.879 62.300 -0.050 0.000 1.064 30 V CB -0.861 30.942 31.823 -0.032 0.000 0.670 30 V HN -0.006 nan 8.190 nan 0.000 0.461 31 L N -0.839 120.302 121.223 -0.136 0.000 2.357 31 L HA 0.217 4.556 4.340 -0.001 0.000 0.211 31 L C 2.544 179.350 176.870 -0.107 0.000 1.075 31 L CA 0.956 55.719 54.840 -0.128 0.000 0.830 31 L CB -0.557 41.361 42.059 -0.235 0.000 0.996 31 L HN 0.324 nan 8.230 nan 0.000 0.467 32 A N -0.391 122.353 122.820 -0.126 0.000 2.066 32 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 32 A C 1.931 179.484 177.584 -0.051 0.000 1.157 32 A CA 1.116 53.102 52.037 -0.085 0.000 0.670 32 A CB -0.080 18.871 19.000 -0.082 0.000 0.804 32 A HN 0.256 nan 8.150 nan 0.000 0.453 33 E N -0.158 120.016 120.200 -0.042 0.000 2.476 33 E HA 0.295 4.645 4.350 -0.001 0.000 0.199 33 E C 0.830 177.425 176.600 -0.008 0.000 1.021 33 E CA 0.491 56.878 56.400 -0.022 0.000 0.907 33 E CB -0.270 29.421 29.700 -0.016 0.000 0.974 33 E HN 0.523 nan 8.360 nan 0.000 0.489 34 A N 1.949 124.767 122.820 -0.003 0.000 2.507 34 A HA -0.040 4.279 4.320 -0.001 0.000 0.235 34 A C 0.171 177.766 177.584 0.019 0.000 1.070 34 A CA -0.153 51.899 52.037 0.025 0.000 0.768 34 A CB -0.006 19.026 19.000 0.052 0.000 1.011 34 A HN -0.004 nan 8.150 nan 0.000 0.502 35 D N 1.821 122.243 120.400 0.037 0.000 2.434 35 D HA 0.146 4.785 4.640 -0.001 0.000 0.252 35 D C -1.150 175.146 176.300 -0.005 0.000 1.185 35 D CA -1.074 52.939 54.000 0.022 0.000 0.886 35 D CB 0.770 41.596 40.800 0.043 0.000 1.148 35 D HN 0.224 nan 8.370 nan 0.000 0.483 36 P HA -0.009 nan 4.420 nan 0.000 0.240 36 P C 0.000 177.240 177.300 -0.101 0.000 1.190 36 P CA 0.252 63.301 63.100 -0.084 0.000 0.781 36 P CB 0.315 31.972 31.700 -0.073 0.000 0.931 37 D N 0.787 121.156 120.400 -0.052 0.000 2.994 37 D HA 0.142 4.781 4.640 -0.001 0.000 0.240 37 D C -0.138 176.154 176.300 -0.013 0.000 1.195 37 D CA -0.051 53.929 54.000 -0.033 0.000 0.957 37 D CB -0.380 40.416 40.800 -0.007 0.000 1.105 37 D HN 0.010 nan 8.370 nan 0.000 0.477 38 R N 0.892 121.352 120.500 -0.066 0.000 2.698 38 R HA 0.574 4.913 4.340 -0.001 0.000 0.275 38 R C -1.544 174.714 176.300 -0.069 0.000 1.001 38 R CA -0.933 55.153 56.100 -0.024 0.000 0.896 38 R CB 1.955 32.272 30.300 0.028 0.000 1.218 38 R HN 0.044 nan 8.270 nan 0.000 0.462 39 F N 0.667 120.537 119.950 -0.133 0.000 2.749 39 F HA 0.546 5.073 4.527 -0.001 0.000 0.339 39 F C -1.306 174.503 175.800 0.014 0.000 1.211 39 F CA -0.755 57.166 58.000 -0.131 0.000 1.099 39 F CB 1.746 40.683 39.000 -0.105 0.000 1.359 39 F HN 0.608 nan 8.300 nan 0.000 0.549 40 G N 4.827 113.876 108.800 0.415 0.000 2.619 40 G HA2 0.779 4.738 3.960 -0.001 0.000 0.296 40 G HA3 0.779 4.738 3.960 -0.001 0.000 0.296 40 G C -2.147 172.867 174.900 0.191 0.000 1.334 40 G CA -0.922 44.300 45.100 0.203 0.000 0.934 40 G HN 0.798 nan 8.290 nan 0.000 0.476 41 I N -0.161 120.464 120.570 0.090 0.000 2.787 41 I HA 0.713 4.882 4.170 -0.001 0.000 0.294 41 I C -0.943 175.244 176.117 0.117 0.000 1.365 41 I CA -0.819 60.555 61.300 0.122 0.000 1.029 41 I CB 2.029 40.068 38.000 0.064 0.000 1.313 41 I HN 0.928 nan 8.210 nan 0.000 0.431 42 A N 7.319 130.224 122.820 0.143 0.000 2.556 42 A HA 0.924 5.244 4.320 -0.001 0.000 0.294 42 A C -2.030 175.631 177.584 0.127 0.000 1.091 42 A CA -0.602 51.509 52.037 0.123 0.000 0.704 42 A CB 1.978 21.039 19.000 0.103 0.000 1.300 42 A HN 0.631 nan 8.150 nan 0.000 0.406 43 L N 0.545 121.831 121.223 0.106 0.000 2.464 43 L HA 0.719 5.058 4.340 -0.001 0.000 0.266 43 L C -0.153 176.715 176.870 -0.003 0.000 0.965 43 L CA -0.687 54.208 54.840 0.091 0.000 0.833 43 L CB 2.190 44.344 42.059 0.159 0.000 1.296 43 L HN 0.883 nan 8.230 nan 0.000 0.405 44 A N 1.452 124.265 122.820 -0.012 0.000 2.304 44 A HA 0.725 5.045 4.320 -0.001 0.000 0.314 44 A C 0.062 177.614 177.584 -0.054 0.000 1.187 44 A CA -0.496 51.502 52.037 -0.065 0.000 0.810 44 A CB 1.205 20.177 19.000 -0.046 0.000 1.183 44 A HN 0.687 nan 8.150 nan 0.000 0.487 45 T N 0.504 115.003 114.554 -0.091 0.000 2.849 45 T HA 0.469 4.818 4.350 -0.001 0.000 0.284 45 T C -1.905 172.776 174.700 -0.033 0.000 1.004 45 T CA -1.441 60.630 62.100 -0.048 0.000 1.021 45 T CB 0.857 69.694 68.868 -0.051 0.000 1.013 45 T HN 0.244 nan 8.240 nan 0.000 0.527 46 P HA -0.051 nan 4.420 nan 0.000 0.218 46 P C 1.657 178.957 177.300 0.001 0.000 1.149 46 P CA 1.190 64.288 63.100 -0.004 0.000 0.817 46 P CB -0.208 31.495 31.700 0.006 0.000 0.785 47 T N -5.488 109.066 114.554 -0.000 0.000 3.014 47 T HA 0.240 4.589 4.350 -0.001 0.000 0.263 47 T C 1.507 176.210 174.700 0.004 0.000 1.078 47 T CA 0.977 63.081 62.100 0.007 0.000 1.135 47 T CB -0.495 68.380 68.868 0.012 0.000 0.895 47 T HN 0.215 nan 8.240 nan 0.000 0.480 48 G N 0.862 109.652 108.800 -0.017 0.000 2.276 48 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.177 48 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.177 48 G C -0.026 174.838 174.900 -0.060 0.000 1.017 48 G CA -0.834 44.256 45.100 -0.016 0.000 0.750 48 G HN 0.486 nan 8.290 nan 0.000 0.506 49 R N -0.384 120.042 120.500 -0.123 0.000 2.536 49 R HA 0.713 5.053 4.340 -0.001 0.000 0.279 49 R C -1.041 175.035 176.300 -0.374 0.000 1.001 49 R CA -0.720 55.231 56.100 -0.249 0.000 1.027 49 R CB 1.957 32.069 30.300 -0.314 0.000 1.096 49 R HN 0.246 nan 8.270 nan 0.000 0.502 50 L N 3.150 124.130 121.223 -0.405 0.000 2.427 50 L HA 0.289 4.628 4.340 -0.001 0.000 0.264 50 L C -1.246 175.453 176.870 -0.285 0.000 0.989 50 L CA -0.417 54.239 54.840 -0.307 0.000 0.865 50 L CB 0.807 42.792 42.059 -0.123 0.000 1.209 50 L HN 0.525 nan 8.230 nan 0.000 0.430 51 H N 4.056 123.098 119.070 -0.046 0.000 2.517 51 H HA 0.686 5.241 4.556 -0.001 0.000 0.317 51 H C -0.088 175.250 175.328 0.017 0.000 1.080 51 H CA -0.401 55.625 56.048 -0.036 0.000 1.301 51 H CB 1.216 30.938 29.762 -0.065 0.000 1.425 51 H HN 0.825 nan 8.280 nan 0.000 0.471 52 C N 0.979 120.361 119.300 0.138 0.000 3.323 52 C HA 1.015 5.474 4.460 -0.001 0.000 0.324 52 C C -0.398 174.633 174.990 0.069 0.000 1.428 52 C CA -0.825 58.252 59.018 0.098 0.000 1.368 52 C CB 1.092 28.877 27.740 0.074 0.000 1.731 52 C HN 1.030 nan 8.230 nan 0.000 0.455 53 A N -0.045 122.797 122.820 0.037 0.000 2.605 53 A HA 0.954 5.274 4.320 -0.001 0.000 0.294 53 A C 0.142 177.703 177.584 -0.037 0.000 1.062 53 A CA 0.875 52.906 52.037 -0.010 0.000 0.682 53 A CB 0.438 19.407 19.000 -0.051 0.000 1.278 53 A HN 3.213 nan 8.150 nan 0.000 0.410 54 G N 0.675 109.449 108.800 -0.044 0.000 2.569 54 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.259 54 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.259 54 G C -0.190 174.741 174.900 0.052 0.000 1.263 54 G CA 0.340 45.421 45.100 -0.032 0.000 0.928 54 G HN 1.070 nan 8.290 nan 0.000 0.572 55 D N 1.794 122.264 120.400 0.116 0.000 2.948 55 D HA 0.320 4.959 4.640 -0.001 0.000 0.241 55 D C 1.759 178.201 176.300 0.237 0.000 1.198 55 D CA 0.837 54.955 54.000 0.196 0.000 0.926 55 D CB -0.370 40.603 40.800 0.289 0.000 1.151 55 D HN 0.834 nan 8.370 nan 0.000 0.441 56 A N 0.253 123.170 122.820 0.161 0.000 2.248 56 A HA -0.105 4.214 4.320 -0.001 0.000 0.210 56 A C 1.406 179.063 177.584 0.122 0.000 1.174 56 A CA 0.643 52.777 52.037 0.162 0.000 0.750 56 A CB 0.224 19.293 19.000 0.115 0.000 0.780 56 A HN 0.091 nan 8.150 nan 0.000 0.478 57 D N -0.689 119.772 120.400 0.101 0.000 2.431 57 D HA 0.182 4.821 4.640 -0.001 0.000 0.213 57 D C -0.416 175.906 176.300 0.036 0.000 1.130 57 D CA 0.221 54.253 54.000 0.052 0.000 0.834 57 D CB 0.867 41.692 40.800 0.042 0.000 0.985 57 D HN 0.135 nan 8.370 nan 0.000 0.504 58 V N 2.032 121.987 119.914 0.069 0.000 2.432 58 V HA 0.121 4.240 4.120 -0.001 0.000 0.275 58 V C 0.566 176.613 176.094 -0.078 0.000 1.043 58 V CA -0.564 61.759 62.300 0.039 0.000 0.925 58 V CB 1.756 33.671 31.823 0.152 0.000 0.985 58 V HN -0.065 nan 8.190 nan 0.000 0.466 59 E N 4.711 124.842 120.200 -0.115 0.000 2.331 59 E HA 0.556 4.905 4.350 -0.001 0.000 0.272 59 E C -0.970 175.498 176.600 -0.219 0.000 1.036 59 E CA -0.103 56.144 56.400 -0.255 0.000 0.864 59 E CB 1.237 30.817 29.700 -0.200 0.000 1.035 59 E HN 0.605 nan 8.360 nan 0.000 0.408 60 F N -2.205 117.558 119.950 -0.311 0.000 2.668 60 F HA 0.360 4.886 4.527 -0.001 0.000 0.309 60 F C -0.341 175.370 175.800 -0.149 0.000 1.117 60 F CA -1.390 56.458 58.000 -0.253 0.000 0.951 60 F CB 0.578 39.316 39.000 -0.437 0.000 1.323 60 F HN 0.195 nan 8.300 nan 0.000 0.451 61 T N 0.327 114.918 114.554 0.061 0.000 2.834 61 T HA 0.212 4.562 4.350 -0.001 0.000 0.298 61 T C 1.026 175.799 174.700 0.122 0.000 0.966 61 T CA -0.322 61.773 62.100 -0.008 0.000 1.141 61 T CB 1.018 69.894 68.868 0.012 0.000 0.905 61 T HN 0.885 nan 8.240 nan 0.000 0.535 62 I N 1.683 122.248 120.570 -0.009 0.000 2.454 62 I HA -0.236 3.934 4.170 -0.001 0.000 0.254 62 I C 1.354 177.558 176.117 0.145 0.000 1.156 62 I CA 1.183 62.544 61.300 0.103 0.000 1.433 62 I CB -0.206 37.807 38.000 0.022 0.000 1.082 62 I HN 0.765 nan 8.210 nan 0.000 0.432 63 Q N -0.308 119.535 119.800 0.071 0.000 1.795 63 Q HA -0.378 3.962 4.340 -0.001 0.000 0.404 63 Q C 1.509 177.542 176.000 0.055 0.000 0.847 63 Q CA 1.790 57.623 55.803 0.050 0.000 0.799 63 Q CB -1.767 27.038 28.738 0.112 0.000 3.822 63 Q HN 0.399 nan 8.270 nan 0.000 0.742 64 S N 0.514 116.270 115.700 0.092 0.000 2.440 64 S HA -0.103 4.366 4.470 -0.001 0.000 0.240 64 S C 1.454 176.102 174.600 0.080 0.000 1.014 64 S CA 1.382 59.646 58.200 0.108 0.000 0.980 64 S CB -0.333 62.943 63.200 0.127 0.000 0.775 64 S HN 0.591 nan 8.310 nan 0.000 0.499 65 A N 0.843 123.723 122.820 0.100 0.000 2.248 65 A HA 0.006 4.326 4.320 -0.001 0.000 0.210 65 A C 2.069 179.738 177.584 0.140 0.000 1.174 65 A CA 1.314 53.413 52.037 0.103 0.000 0.750 65 A CB -0.494 18.612 19.000 0.177 0.000 0.780 65 A HN 0.607 nan 8.150 nan 0.000 0.478 66 S N -0.697 115.091 115.700 0.146 0.000 2.503 66 S HA 0.018 4.487 4.470 -0.001 0.000 0.217 66 S C 1.604 176.291 174.600 0.145 0.000 0.999 66 S CA 0.623 58.965 58.200 0.236 0.000 0.914 66 S CB -0.153 63.134 63.200 0.145 0.000 0.782 66 S HN 0.541 nan 8.310 nan 0.000 0.520 67 K N 2.195 122.632 120.400 0.061 0.000 2.113 67 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 67 K C -0.767 175.805 176.600 -0.047 0.000 1.047 67 K CA 1.797 58.102 56.287 0.031 0.000 0.928 67 K CB -0.904 31.600 32.500 0.006 0.000 0.716 67 K HN 0.463 nan 8.250 nan 0.000 0.446 68 P HA -0.105 nan 4.420 nan 0.000 0.227 68 P C 0.888 178.049 177.300 -0.233 0.000 1.161 68 P CA 1.182 64.131 63.100 -0.253 0.000 0.788 68 P CB 0.047 31.474 31.700 -0.455 0.000 0.822 69 F N 1.082 121.074 119.950 0.070 0.000 2.187 69 F HA -0.088 4.438 4.527 -0.001 0.000 0.295 69 F C 2.658 178.485 175.800 0.044 0.000 1.091 69 F CA 1.656 59.681 58.000 0.041 0.000 1.308 69 F CB -1.503 37.509 39.000 0.020 0.000 1.030 69 F HN -0.060 nan 8.300 nan 0.000 0.487 70 T N -2.315 112.368 114.554 0.215 0.000 2.867 70 T HA -0.265 4.084 4.350 -0.001 0.000 0.268 70 T C 1.792 176.579 174.700 0.145 0.000 1.057 70 T CA 1.108 63.294 62.100 0.143 0.000 1.136 70 T CB -0.962 67.990 68.868 0.140 0.000 0.874 70 T HN 0.297 nan 8.240 nan 0.000 0.466 71 Y N 2.656 122.945 120.300 -0.018 0.000 2.242 71 Y HA 0.213 4.762 4.550 -0.001 0.000 0.291 71 Y C 2.695 178.546 175.900 -0.081 0.000 1.137 71 Y CA 0.317 58.377 58.100 -0.065 0.000 1.181 71 Y CB -1.069 37.336 38.460 -0.093 0.000 0.989 71 Y HN 0.315 nan 8.280 nan 0.000 0.527 72 A N 0.185 123.000 122.820 -0.008 0.000 1.898 72 A HA -0.010 4.309 4.320 -0.001 0.000 0.216 72 A C 2.493 180.043 177.584 -0.057 0.000 1.181 72 A CA 1.769 53.750 52.037 -0.095 0.000 0.620 72 A CB -1.378 17.636 19.000 0.022 0.000 0.819 72 A HN 0.507 nan 8.150 nan 0.000 0.442 73 A N 0.011 122.838 122.820 0.012 0.000 1.877 73 A HA 0.147 4.467 4.320 -0.001 0.000 0.216 73 A C 2.521 180.089 177.584 -0.028 0.000 1.186 73 A CA 2.170 54.208 52.037 0.001 0.000 0.620 73 A CB -1.093 17.917 19.000 0.016 0.000 0.822 73 A HN 1.066 nan 8.150 nan 0.000 0.443 74 A N -0.381 122.424 122.820 -0.025 0.000 1.902 74 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 74 A C 2.163 179.695 177.584 -0.086 0.000 1.181 74 A CA 1.568 53.586 52.037 -0.031 0.000 0.623 74 A CB -0.617 18.397 19.000 0.023 0.000 0.818 74 A HN 0.474 nan 8.150 nan 0.000 0.443 75 L N -0.769 120.338 121.223 -0.194 0.000 2.093 75 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 75 L C 2.432 179.223 176.870 -0.132 0.000 1.085 75 L CA 0.816 55.469 54.840 -0.311 0.000 0.755 75 L CB -0.351 41.323 42.059 -0.642 0.000 0.904 75 L HN 0.244 nan 8.230 nan 0.000 0.435 76 V N -0.652 119.215 119.914 -0.078 0.000 2.488 76 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 76 V C 1.883 177.976 176.094 -0.001 0.000 1.046 76 V CA 1.576 63.869 62.300 -0.011 0.000 1.053 76 V CB -0.374 31.446 31.823 -0.005 0.000 0.679 76 V HN 0.407 nan 8.190 nan 0.000 0.458 77 D N -0.180 120.212 120.400 -0.013 0.000 2.234 77 D HA -0.039 4.601 4.640 -0.001 0.000 0.205 77 D C 2.196 178.498 176.300 0.003 0.000 0.962 77 D CA 0.789 54.786 54.000 -0.005 0.000 0.855 77 D CB 0.034 40.828 40.800 -0.011 0.000 0.951 77 D HN 0.326 nan 8.370 nan 0.000 0.500 78 R N -0.498 120.001 120.500 -0.001 0.000 2.369 78 R HA 0.337 4.676 4.340 -0.001 0.000 0.210 78 R C 0.954 177.274 176.300 0.034 0.000 0.881 78 R CA 0.465 56.572 56.100 0.013 0.000 1.031 78 R CB 0.738 31.042 30.300 0.007 0.000 1.184 78 R HN 0.097 nan 8.270 nan 0.000 0.581 79 G N 1.205 110.031 108.800 0.042 0.000 2.705 79 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.686 79 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.686 79 G C 0.293 175.281 174.900 0.147 0.000 1.285 79 G CA -0.470 44.708 45.100 0.130 0.000 0.800 79 G HN -0.034 nan 8.290 nan 0.000 0.611 80 F N 1.737 121.673 119.950 -0.023 0.000 2.043 80 F HA -0.077 4.449 4.527 -0.001 0.000 0.297 80 F C 3.312 179.116 175.800 0.007 0.000 1.118 80 F CA 3.395 61.385 58.000 -0.017 0.000 1.202 80 F CB -1.151 37.837 39.000 -0.021 0.000 0.965 80 F HN 0.925 nan 8.300 nan 0.000 0.482 81 A N 0.072 123.021 122.820 0.215 0.000 1.896 81 A HA -0.271 4.048 4.320 -0.001 0.000 0.220 81 A C 2.420 180.055 177.584 0.085 0.000 1.206 81 A CA 2.822 54.932 52.037 0.122 0.000 0.647 81 A CB -1.545 17.507 19.000 0.086 0.000 0.828 81 A HN 0.403 nan 8.150 nan 0.000 0.455 82 A N -1.274 121.588 122.820 0.070 0.000 1.969 82 A HA 0.093 4.412 4.320 -0.001 0.000 0.218 82 A C 2.195 179.805 177.584 0.042 0.000 1.169 82 A CA 1.797 53.863 52.037 0.048 0.000 0.635 82 A CB -0.635 18.388 19.000 0.038 0.000 0.810 82 A HN 0.464 nan 8.150 nan 0.000 0.445 83 V N 0.200 120.134 119.914 0.033 0.000 2.446 83 V HA -0.125 3.995 4.120 -0.001 0.000 0.244 83 V C 1.850 177.980 176.094 0.061 0.000 1.039 83 V CA 1.729 64.049 62.300 0.034 0.000 1.045 83 V CB -0.649 31.166 31.823 -0.012 0.000 0.681 83 V HN 0.446 nan 8.190 nan 0.000 0.459 84 D N 0.223 120.664 120.400 0.068 0.000 2.218 84 D HA -0.173 4.466 4.640 -0.001 0.000 0.204 84 D C 2.210 178.552 176.300 0.071 0.000 0.976 84 D CA 0.952 55.003 54.000 0.086 0.000 0.853 84 D CB -0.238 40.630 40.800 0.114 0.000 0.939 84 D HN 0.335 nan 8.370 nan 0.000 0.481 85 R N 0.280 120.818 120.500 0.063 0.000 2.189 85 R HA -0.080 4.260 4.340 -0.001 0.000 0.223 85 R C 1.267 177.600 176.300 0.056 0.000 1.092 85 R CA 0.971 57.105 56.100 0.056 0.000 0.989 85 R CB 0.278 30.607 30.300 0.049 0.000 0.876 85 R HN 0.074 nan 8.270 nan 0.000 0.457 86 Q N -0.848 118.983 119.800 0.051 0.000 2.316 86 Q HA 0.196 4.535 4.340 -0.001 0.000 0.235 86 Q C -0.414 175.602 176.000 0.027 0.000 0.863 86 Q CA 0.259 56.089 55.803 0.044 0.000 0.939 86 Q CB 1.828 30.590 28.738 0.040 0.000 1.108 86 Q HN 0.047 nan 8.270 nan 0.000 0.522 87 V N 0.853 120.784 119.914 0.028 0.000 2.482 87 V HA 0.600 4.719 4.120 -0.001 0.000 0.295 87 V C 0.451 176.550 176.094 0.009 0.000 1.026 87 V CA -0.782 61.514 62.300 -0.006 0.000 0.856 87 V CB 1.362 33.160 31.823 -0.041 0.000 1.001 87 V HN 0.200 nan 8.190 nan 0.000 0.424 88 G N 3.145 111.940 108.800 -0.007 0.000 2.570 88 G HA2 0.493 4.453 3.960 -0.001 0.000 0.276 88 G HA3 0.493 4.453 3.960 -0.001 0.000 0.276 88 G C 0.130 175.030 174.900 -0.000 0.000 1.346 88 G CA -0.348 44.756 45.100 0.007 0.000 1.034 88 G HN 0.672 nan 8.290 nan 0.000 0.512 89 L N 0.167 121.397 121.223 0.012 0.000 3.358 89 L HA 0.283 4.622 4.340 -0.001 0.000 0.301 89 L C -0.215 176.656 176.870 0.001 0.000 1.276 89 L CA -0.370 54.480 54.840 0.016 0.000 1.028 89 L CB 0.178 42.269 42.059 0.053 0.000 1.421 89 L HN 0.237 nan 8.230 nan 0.000 0.604 90 N N 2.399 121.092 118.700 -0.012 0.000 2.438 90 N HA 0.341 5.081 4.740 -0.001 0.000 0.282 90 N C -2.515 172.982 175.510 -0.022 0.000 1.037 90 N CA -1.329 51.714 53.050 -0.012 0.000 0.942 90 N CB 1.361 39.840 38.487 -0.012 0.000 1.136 90 N HN -0.096 nan 8.380 nan 0.000 0.481 91 P HA 0.032 nan 4.420 nan 0.000 0.269 91 P C -0.299 177.001 177.300 0.001 0.000 1.215 91 P CA 0.117 63.206 63.100 -0.019 0.000 0.780 91 P CB 0.924 32.618 31.700 -0.009 0.000 0.898 92 S N 0.470 116.186 115.700 0.027 0.000 2.587 92 S HA 0.628 5.097 4.470 -0.001 0.000 0.269 92 S C -0.590 174.099 174.600 0.148 0.000 1.154 92 S CA -0.497 57.736 58.200 0.055 0.000 0.824 92 S CB 0.856 64.073 63.200 0.030 0.000 1.118 92 S HN 0.561 nan 8.310 nan 0.000 0.462 93 G N 0.888 109.742 108.800 0.091 0.000 2.476 93 G HA2 0.393 4.352 3.960 -0.001 0.000 0.286 93 G HA3 0.393 4.352 3.960 -0.001 0.000 0.286 93 G C 0.491 175.404 174.900 0.022 0.000 1.177 93 G CA -0.173 44.962 45.100 0.058 0.000 0.870 93 G HN 0.693 nan 8.290 nan 0.000 0.528 94 E N 0.702 120.809 120.200 -0.154 0.000 2.110 94 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 94 E C 1.987 178.570 176.600 -0.028 0.000 0.988 94 E CA 0.726 57.053 56.400 -0.121 0.000 0.804 94 E CB -0.441 29.085 29.700 -0.290 0.000 0.745 94 E HN 0.583 nan 8.360 nan 0.000 0.458 95 A N 1.296 124.087 122.820 -0.049 0.000 2.580 95 A HA -0.055 4.264 4.320 -0.001 0.000 0.244 95 A C -0.060 177.552 177.584 0.046 0.000 1.045 95 A CA 0.059 52.093 52.037 -0.004 0.000 0.761 95 A CB -0.651 18.329 19.000 -0.034 0.000 0.962 95 A HN 0.201 nan 8.150 nan 0.000 0.512 96 F N 3.748 123.659 119.950 -0.064 0.000 2.396 96 F HA 0.447 4.973 4.527 -0.001 0.000 0.343 96 F C 0.203 175.968 175.800 -0.059 0.000 1.104 96 F CA -0.587 57.375 58.000 -0.063 0.000 1.161 96 F CB 0.848 39.809 39.000 -0.064 0.000 1.146 96 F HN 0.612 nan 8.300 nan 0.000 0.522 97 N N 4.944 122.950 118.700 -1.157 0.000 2.399 97 N HA 0.094 4.833 4.740 -0.001 0.000 0.284 97 N C 0.440 175.217 175.510 -1.222 0.000 1.025 97 N CA -0.246 52.273 53.050 -0.884 0.000 0.885 97 N CB 1.505 39.725 38.487 -0.444 0.000 1.339 97 N HN 0.930 nan 8.380 nan 0.000 0.487 98 E N 3.060 122.785 120.200 -0.791 0.000 2.160 98 E HA -0.094 4.255 4.350 -0.001 0.000 0.195 98 E C 1.293 177.679 176.600 -0.357 0.000 0.991 98 E CA 0.912 57.051 56.400 -0.434 0.000 0.810 98 E CB 0.220 29.878 29.700 -0.071 0.000 0.742 98 E HN 0.648 nan 8.360 nan 0.000 0.466 99 L N 0.817 121.866 121.223 -0.289 0.000 2.187 99 L HA -0.199 4.141 4.340 -0.001 0.000 0.213 99 L C 2.591 179.317 176.870 -0.239 0.000 1.100 99 L CA 1.279 55.994 54.840 -0.210 0.000 0.765 99 L CB -0.525 41.439 42.059 -0.157 0.000 0.904 99 L HN 0.226 nan 8.230 nan 0.000 0.437 100 S N -0.256 115.260 115.700 -0.306 0.000 2.474 100 S HA -0.089 4.380 4.470 -0.001 0.000 0.235 100 S C 1.641 176.094 174.600 -0.245 0.000 0.997 100 S CA 0.744 58.799 58.200 -0.243 0.000 0.949 100 S CB -0.334 62.721 63.200 -0.243 0.000 0.766 100 S HN 0.489 nan 8.310 nan 0.000 0.517 101 L N 0.297 121.293 121.223 -0.377 0.000 2.640 101 L HA 0.326 4.665 4.340 -0.001 0.000 0.230 101 L C 2.205 178.706 176.870 -0.616 0.000 1.123 101 L CA 0.177 54.695 54.840 -0.538 0.000 0.900 101 L CB -0.210 41.237 42.059 -1.021 0.000 1.146 101 L HN 0.291 nan 8.230 nan 0.000 0.484 102 E N 1.286 121.245 120.200 -0.402 0.000 2.250 102 E HA 0.089 4.438 4.350 -0.001 0.000 0.192 102 E C 1.142 177.595 176.600 -0.246 0.000 0.986 102 E CA 0.158 56.387 56.400 -0.285 0.000 0.849 102 E CB 0.303 29.940 29.700 -0.106 0.000 0.797 102 E HN 0.410 nan 8.360 nan 0.000 0.482 103 A N 1.652 124.372 122.820 -0.166 0.000 2.492 103 A HA -0.076 4.243 4.320 -0.001 0.000 0.236 103 A C 0.692 178.326 177.584 0.083 0.000 1.078 103 A CA -0.043 51.971 52.037 -0.038 0.000 0.773 103 A CB 0.224 19.206 19.000 -0.030 0.000 1.023 103 A HN -0.038 nan 8.150 nan 0.000 0.504 104 E N 0.793 121.079 120.200 0.142 0.000 2.510 104 E HA -0.051 4.298 4.350 -0.001 0.000 0.202 104 E C 1.754 178.495 176.600 0.235 0.000 1.072 104 E CA 1.392 57.927 56.400 0.224 0.000 0.883 104 E CB -0.317 29.450 29.700 0.112 0.000 0.818 104 E HN 0.537 nan 8.360 nan 0.000 0.548 105 S N -0.289 115.514 115.700 0.172 0.000 2.436 105 S HA -0.075 4.395 4.470 -0.001 0.000 0.228 105 S C -0.044 174.672 174.600 0.193 0.000 1.014 105 S CA 0.120 58.397 58.200 0.129 0.000 0.950 105 S CB -0.279 62.955 63.200 0.056 0.000 0.784 105 S HN 0.389 nan 8.310 nan 0.000 0.504 106 H N 2.009 121.094 119.070 0.025 0.000 2.315 106 H HA -0.173 4.382 4.556 -0.001 0.000 0.324 106 H C 0.333 175.672 175.328 0.018 0.000 0.996 106 H CA 1.223 57.295 56.048 0.040 0.000 1.090 106 H CB -1.366 28.464 29.762 0.113 0.000 1.580 106 H HN 0.565 nan 8.280 nan 0.000 0.374 107 R N -0.932 119.593 120.500 0.043 0.000 2.664 107 R HA 0.456 4.795 4.340 -0.001 0.000 0.266 107 R C -3.483 172.810 176.300 -0.012 0.000 1.046 107 R CA -2.084 54.032 56.100 0.027 0.000 0.885 107 R CB 1.596 31.923 30.300 0.045 0.000 1.254 107 R HN -0.054 nan 8.270 nan 0.000 0.465 108 P HA 0.007 nan 4.420 nan 0.000 0.269 108 P C -0.302 176.984 177.300 -0.022 0.000 1.209 108 P CA -0.053 63.047 63.100 -0.001 0.000 0.776 108 P CB 0.732 32.426 31.700 -0.010 0.000 0.876 109 D N 0.796 121.183 120.400 -0.021 0.000 2.126 109 D HA -0.133 4.507 4.640 -0.001 0.000 0.190 109 D C 1.015 177.285 176.300 -0.051 0.000 1.001 109 D CA 1.813 55.793 54.000 -0.032 0.000 0.841 109 D CB 0.044 40.828 40.800 -0.026 0.000 0.949 109 D HN 0.622 nan 8.370 nan 0.000 0.446 110 N N -2.133 116.519 118.700 -0.080 0.000 3.106 110 N HA 0.315 5.054 4.740 -0.001 0.000 0.253 110 N C -0.337 175.036 175.510 -0.228 0.000 1.506 110 N CA -0.313 52.649 53.050 -0.148 0.000 0.876 110 N CB 1.312 39.718 38.487 -0.135 0.000 1.452 110 N HN -0.095 nan 8.380 nan 0.000 0.542 111 A N -0.285 122.289 122.820 -0.411 0.000 2.238 111 A HA 0.145 4.465 4.320 -0.001 0.000 0.208 111 A C 1.287 178.684 177.584 -0.311 0.000 1.177 111 A CA 0.409 52.149 52.037 -0.494 0.000 0.804 111 A CB -0.482 17.839 19.000 -1.132 0.000 0.823 111 A HN 0.537 nan 8.150 nan 0.000 0.482 112 M N -0.046 119.406 119.600 -0.246 0.000 2.510 112 M HA 0.240 4.719 4.480 -0.001 0.000 0.256 112 M C 0.832 177.081 176.300 -0.085 0.000 1.132 112 M CA 0.286 55.466 55.300 -0.200 0.000 1.105 112 M CB -0.951 31.467 32.600 -0.304 0.000 1.375 112 M HN 0.586 nan 8.290 nan 0.000 0.477 113 I N -2.232 118.318 120.570 -0.033 0.000 2.677 113 I HA 0.326 4.495 4.170 -0.001 0.000 0.305 113 I C 1.132 177.243 176.117 -0.010 0.000 0.988 113 I CA -0.594 60.761 61.300 0.091 0.000 1.260 113 I CB 0.591 38.655 38.000 0.107 0.000 1.410 113 I HN -0.139 nan 8.210 nan 0.000 0.523 114 N N 3.317 122.005 118.700 -0.021 0.000 2.037 114 N HA -0.236 4.503 4.740 -0.001 0.000 0.196 114 N C 1.835 177.183 175.510 -0.270 0.000 1.034 114 N CA 2.274 55.216 53.050 -0.180 0.000 0.861 114 N CB -0.727 37.664 38.487 -0.161 0.000 1.039 114 N HN 0.869 nan 8.380 nan 0.000 0.427 115 A N 0.215 122.927 122.820 -0.179 0.000 1.917 115 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 115 A C 2.365 179.856 177.584 -0.154 0.000 1.182 115 A CA 2.129 54.055 52.037 -0.185 0.000 0.633 115 A CB -1.261 17.680 19.000 -0.099 0.000 0.819 115 A HN 0.406 nan 8.150 nan 0.000 0.448 116 G N -1.277 107.448 108.800 -0.125 0.000 2.484 116 G HA2 0.152 4.112 3.960 -0.001 0.000 0.218 116 G HA3 0.152 4.112 3.960 -0.001 0.000 0.218 116 G C 1.590 176.398 174.900 -0.153 0.000 1.130 116 G CA 1.186 46.206 45.100 -0.134 0.000 0.784 116 G HN 0.770 nan 8.290 nan 0.000 0.543 117 A N 0.694 123.408 122.820 -0.177 0.000 1.897 117 A HA 0.194 4.514 4.320 -0.001 0.000 0.215 117 A C 2.363 179.859 177.584 -0.147 0.000 1.181 117 A CA 0.866 52.826 52.037 -0.128 0.000 0.620 117 A CB -0.362 18.576 19.000 -0.103 0.000 0.821 117 A HN 0.315 nan 8.150 nan 0.000 0.443 118 L N -0.558 120.467 121.223 -0.329 0.000 2.042 118 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 118 L C 3.104 179.936 176.870 -0.064 0.000 1.076 118 L CA 1.154 55.850 54.840 -0.241 0.000 0.749 118 L CB -0.555 41.320 42.059 -0.306 0.000 0.893 118 L HN 0.445 nan 8.230 nan 0.000 0.432 119 A N -0.402 122.376 122.820 -0.071 0.000 1.877 119 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 119 A C 2.345 179.943 177.584 0.023 0.000 1.186 119 A CA 1.790 53.816 52.037 -0.019 0.000 0.620 119 A CB -0.891 18.091 19.000 -0.029 0.000 0.822 119 A HN 0.179 nan 8.150 nan 0.000 0.443 120 V N -0.176 119.749 119.914 0.018 0.000 2.392 120 V HA -0.286 3.834 4.120 -0.001 0.000 0.249 120 V C 2.550 178.698 176.094 0.091 0.000 1.059 120 V CA 2.249 64.583 62.300 0.058 0.000 1.051 120 V CB -0.970 30.883 31.823 0.051 0.000 0.658 120 V HN 0.759 nan 8.190 nan 0.000 0.455 121 H N -0.027 119.073 119.070 0.049 0.000 2.387 121 H HA -0.187 4.369 4.556 -0.001 0.000 0.299 121 H C 2.377 177.735 175.328 0.050 0.000 1.090 121 H CA 2.171 58.264 56.048 0.075 0.000 1.332 121 H CB 0.113 29.947 29.762 0.119 0.000 1.386 121 H HN 0.504 nan 8.280 nan 0.000 0.516 122 Q N 0.897 120.809 119.800 0.185 0.000 2.135 122 Q HA -0.093 4.247 4.340 -0.001 0.000 0.204 122 Q C 2.207 178.244 176.000 0.062 0.000 0.981 122 Q CA 1.461 57.336 55.803 0.119 0.000 0.856 122 Q CB -0.434 28.346 28.738 0.071 0.000 0.902 122 Q HN 0.513 nan 8.270 nan 0.000 0.425 123 L N -0.305 120.942 121.223 0.040 0.000 2.554 123 L HA 0.045 4.384 4.340 -0.001 0.000 0.226 123 L C 1.931 178.797 176.870 -0.007 0.000 1.137 123 L CA -0.046 54.805 54.840 0.019 0.000 0.863 123 L CB -0.233 41.841 42.059 0.025 0.000 0.985 123 L HN 0.257 nan 8.230 nan 0.000 0.451 124 L N -0.690 120.505 121.223 -0.046 0.000 2.123 124 L HA -0.316 4.023 4.340 -0.001 0.000 0.217 124 L C 2.003 178.842 176.870 -0.053 0.000 1.081 124 L CA 1.465 56.253 54.840 -0.088 0.000 0.772 124 L CB -0.277 41.643 42.059 -0.230 0.000 0.890 124 L HN 0.211 nan 8.230 nan 0.000 0.437 125 V N -2.969 116.927 119.914 -0.031 0.000 3.137 125 V HA 0.445 4.564 4.120 -0.001 0.000 0.236 125 V C 0.617 176.709 176.094 -0.002 0.000 1.260 125 V CA 0.589 62.880 62.300 -0.015 0.000 1.244 125 V CB 0.974 32.791 31.823 -0.010 0.000 1.016 125 V HN 0.480 nan 8.190 nan 0.000 0.477 126 G N -0.554 108.248 108.800 0.004 0.000 2.313 126 G HA2 0.326 4.286 3.960 -0.001 0.000 0.296 126 G HA3 0.326 4.286 3.960 -0.001 0.000 0.296 126 G C -2.837 172.072 174.900 0.015 0.000 1.356 126 G CA 0.007 45.113 45.100 0.010 0.000 0.833 126 G HN -0.064 nan 8.290 nan 0.000 0.552 127 P HA -0.006 nan 4.420 nan 0.000 0.214 127 P C 0.982 178.294 177.300 0.020 0.000 1.163 127 P CA 1.421 64.533 63.100 0.019 0.000 0.883 127 P CB 0.219 31.929 31.700 0.017 0.000 0.788 128 E N -0.947 119.264 120.200 0.018 0.000 2.368 128 E HA 0.295 4.645 4.350 -0.001 0.000 0.188 128 E C 0.243 176.855 176.600 0.020 0.000 1.061 128 E CA -0.294 56.117 56.400 0.018 0.000 0.933 128 E CB -0.519 29.190 29.700 0.015 0.000 1.091 128 E HN 0.159 nan 8.360 nan 0.000 0.458 129 A N 1.187 124.019 122.820 0.021 0.000 2.462 129 A HA 0.336 4.655 4.320 -0.001 0.000 0.243 129 A C 0.652 178.255 177.584 0.032 0.000 1.076 129 A CA -0.347 51.703 52.037 0.022 0.000 0.773 129 A CB 0.227 19.238 19.000 0.018 0.000 1.010 129 A HN 0.268 nan 8.150 nan 0.000 0.493 130 S N 2.018 117.737 115.700 0.032 0.000 2.617 130 S HA 0.283 4.752 4.470 -0.001 0.000 0.269 130 S C 1.314 175.949 174.600 0.058 0.000 1.292 130 S CA -0.094 58.130 58.200 0.039 0.000 1.010 130 S CB 1.002 64.220 63.200 0.031 0.000 0.944 130 S HN 0.873 nan 8.310 nan 0.000 0.536 131 R N 1.045 121.585 120.500 0.066 0.000 2.112 131 R HA -0.211 4.128 4.340 -0.001 0.000 0.242 131 R C 1.854 178.216 176.300 0.102 0.000 1.137 131 R CA 2.083 58.240 56.100 0.095 0.000 0.944 131 R CB -0.619 29.729 30.300 0.079 0.000 0.857 131 R HN 0.689 nan 8.270 nan 0.000 0.435 132 K N 0.911 121.354 120.400 0.071 0.000 2.147 132 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 132 K C 1.792 178.427 176.600 0.059 0.000 1.049 132 K CA 1.835 58.161 56.287 0.065 0.000 0.936 132 K CB -0.014 32.510 32.500 0.040 0.000 0.722 132 K HN 0.395 nan 8.250 nan 0.000 0.446 133 E N -0.420 119.808 120.200 0.047 0.000 2.106 133 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 133 E C 2.034 178.649 176.600 0.025 0.000 0.984 133 E CA 0.906 57.324 56.400 0.031 0.000 0.806 133 E CB 0.049 29.762 29.700 0.022 0.000 0.750 133 E HN 0.244 nan 8.360 nan 0.000 0.458 134 R N 0.390 120.914 120.500 0.040 0.000 2.090 134 R HA 0.004 4.344 4.340 -0.001 0.000 0.228 134 R C 2.455 178.758 176.300 0.004 0.000 1.110 134 R CA 0.480 56.573 56.100 -0.012 0.000 0.973 134 R CB -0.173 30.130 30.300 0.006 0.000 0.869 134 R HN 0.188 nan 8.270 nan 0.000 0.440 135 L N 1.281 122.582 121.223 0.130 0.000 2.141 135 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 135 L C 0.780 177.693 176.870 0.072 0.000 1.094 135 L CA 1.875 56.810 54.840 0.159 0.000 0.763 135 L CB -0.388 41.770 42.059 0.164 0.000 0.908 135 L HN 0.150 nan 8.230 nan 0.000 0.437 136 D N -0.145 120.285 120.400 0.050 0.000 2.144 136 D HA -0.187 4.452 4.640 -0.001 0.000 0.200 136 D C 2.178 178.481 176.300 0.005 0.000 0.978 136 D CA 0.799 54.816 54.000 0.027 0.000 0.833 136 D CB -0.024 40.791 40.800 0.024 0.000 0.961 136 D HN 0.174 nan 8.370 nan 0.000 0.470 137 R N 1.298 121.794 120.500 -0.008 0.000 2.115 137 R HA 0.046 4.385 4.340 -0.001 0.000 0.230 137 R C 1.815 178.098 176.300 -0.027 0.000 1.111 137 R CA 1.553 57.639 56.100 -0.023 0.000 0.976 137 R CB -0.695 29.581 30.300 -0.040 0.000 0.870 137 R HN 0.062 nan 8.270 nan 0.000 0.445 138 A N -0.250 122.550 122.820 -0.033 0.000 1.898 138 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 138 A C 2.217 179.798 177.584 -0.005 0.000 1.181 138 A CA 1.574 53.605 52.037 -0.011 0.000 0.620 138 A CB -0.528 18.484 19.000 0.021 0.000 0.819 138 A HN 0.166 nan 8.150 nan 0.000 0.442 139 V N 0.229 120.136 119.914 -0.012 0.000 2.667 139 V HA -0.198 3.921 4.120 -0.001 0.000 0.252 139 V C 2.422 178.490 176.094 -0.043 0.000 1.065 139 V CA 2.030 64.308 62.300 -0.035 0.000 1.083 139 V CB -0.620 31.186 31.823 -0.030 0.000 0.692 139 V HN 0.769 nan 8.190 nan 0.000 0.468 140 E N 0.336 120.518 120.200 -0.029 0.000 2.051 140 E HA -0.209 4.140 4.350 -0.001 0.000 0.189 140 E C 2.226 178.802 176.600 -0.039 0.000 0.979 140 E CA 1.208 57.589 56.400 -0.031 0.000 0.803 140 E CB -0.096 29.593 29.700 -0.019 0.000 0.761 140 E HN 0.441 nan 8.360 nan 0.000 0.451 141 I N 1.130 121.683 120.570 -0.028 0.000 2.264 141 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 141 I C 2.199 178.264 176.117 -0.086 0.000 1.111 141 I CA 1.508 62.794 61.300 -0.022 0.000 1.382 141 I CB -0.146 37.869 38.000 0.025 0.000 1.060 141 I HN 0.230 nan 8.210 nan 0.000 0.418 142 M N -1.085 118.439 119.600 -0.127 0.000 2.288 142 M HA -0.130 4.349 4.480 -0.001 0.000 0.266 142 M C 2.242 178.409 176.300 -0.222 0.000 1.072 142 M CA 1.264 56.399 55.300 -0.276 0.000 1.132 142 M CB -0.172 32.289 32.600 -0.233 0.000 1.386 142 M HN 0.114 nan 8.290 nan 0.000 0.432 143 S N 0.714 116.335 115.700 -0.132 0.000 2.368 143 S HA -0.020 4.449 4.470 -0.001 0.000 0.224 143 S C 1.807 176.362 174.600 -0.074 0.000 1.029 143 S CA 1.004 59.145 58.200 -0.099 0.000 0.988 143 S CB -0.313 62.845 63.200 -0.070 0.000 0.838 143 S HN 0.397 nan 8.310 nan 0.000 0.462 144 L N 0.942 122.130 121.223 -0.060 0.000 2.083 144 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 144 L C 2.104 178.988 176.870 0.025 0.000 1.083 144 L CA 1.039 55.865 54.840 -0.023 0.000 0.752 144 L CB -0.548 41.504 42.059 -0.012 0.000 0.899 144 L HN 0.298 nan 8.230 nan 0.000 0.433 145 L N -0.644 120.555 121.223 -0.039 0.000 2.162 145 L HA -0.025 4.315 4.340 -0.001 0.000 0.205 145 L C 2.758 179.613 176.870 -0.026 0.000 1.086 145 L CA 0.748 55.565 54.840 -0.037 0.000 0.778 145 L CB -0.622 41.319 42.059 -0.197 0.000 0.928 145 L HN 0.165 nan 8.230 nan 0.000 0.446 146 A N -0.113 122.649 122.820 -0.097 0.000 2.121 146 A HA 0.103 4.422 4.320 -0.001 0.000 0.218 146 A C 1.939 179.546 177.584 0.039 0.000 1.154 146 A CA 1.123 53.118 52.037 -0.070 0.000 0.679 146 A CB -0.630 18.289 19.000 -0.135 0.000 0.795 146 A HN 0.551 nan 8.150 nan 0.000 0.458 147 G N -0.933 107.905 108.800 0.063 0.000 2.179 147 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 147 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 147 G C 0.247 175.123 174.900 -0.040 0.000 0.977 147 G CA 0.754 45.860 45.100 0.010 0.000 0.641 147 G HN 1.301 nan 8.290 nan 0.000 0.533 148 R N -1.417 119.056 120.500 -0.044 0.000 2.764 148 R HA 0.704 5.043 4.340 -0.001 0.000 0.270 148 R C -0.468 175.797 176.300 -0.059 0.000 1.014 148 R CA -1.233 54.836 56.100 -0.051 0.000 0.904 148 R CB 1.054 31.325 30.300 -0.049 0.000 1.236 148 R HN 0.105 nan 8.270 nan 0.000 0.466 149 R N 1.614 122.083 120.500 -0.052 0.000 2.370 149 R HA 0.238 4.577 4.340 -0.001 0.000 0.309 149 R C -0.293 175.970 176.300 -0.063 0.000 1.059 149 R CA -0.105 55.965 56.100 -0.051 0.000 0.981 149 R CB 0.327 30.606 30.300 -0.036 0.000 0.972 149 R HN 0.372 nan 8.270 nan 0.000 0.437 150 L N 1.635 122.812 121.223 -0.076 0.000 2.360 150 L HA 0.385 4.724 4.340 -0.001 0.000 0.271 150 L C 0.227 177.045 176.870 -0.087 0.000 1.057 150 L CA -0.508 54.273 54.840 -0.099 0.000 0.803 150 L CB 1.790 43.772 42.059 -0.128 0.000 1.207 150 L HN 0.593 nan 8.230 nan 0.000 0.445 151 S N 0.484 116.121 115.700 -0.106 0.000 2.607 151 S HA 0.570 5.039 4.470 -0.001 0.000 0.303 151 S C -0.528 173.952 174.600 -0.199 0.000 1.086 151 S CA -0.678 57.464 58.200 -0.097 0.000 0.995 151 S CB 2.337 65.506 63.200 -0.053 0.000 1.084 151 S HN 0.247 nan 8.310 nan 0.000 0.507 152 V N 2.320 122.049 119.914 -0.308 0.000 2.383 152 V HA 0.218 4.337 4.120 -0.001 0.000 0.275 152 V C 0.116 175.749 176.094 -0.768 0.000 1.036 152 V CA -0.604 61.295 62.300 -0.668 0.000 0.889 152 V CB 1.272 32.353 31.823 -1.236 0.000 0.985 152 V HN 0.871 nan 8.190 nan 0.000 0.459 153 D N 4.498 124.612 120.400 -0.477 0.000 2.416 153 D HA 0.030 4.669 4.640 -0.001 0.000 0.240 153 D C 0.514 176.668 176.300 -0.243 0.000 1.250 153 D CA -0.216 53.626 54.000 -0.264 0.000 0.967 153 D CB 0.546 41.270 40.800 -0.127 0.000 1.059 153 D HN 0.613 nan 8.370 nan 0.000 0.512 154 W N 2.505 123.823 121.300 0.030 0.000 2.421 154 W HA -0.069 4.591 4.660 -0.001 0.000 0.270 154 W C 2.244 178.844 176.519 0.136 0.000 1.233 154 W CA 0.078 57.474 57.345 0.085 0.000 1.226 154 W CB -0.053 29.418 29.460 0.018 0.000 1.121 154 W HN 0.494 nan 8.180 nan 0.000 0.579 155 E N 0.089 120.428 120.200 0.233 0.000 2.077 155 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 155 E C 1.795 178.472 176.600 0.127 0.000 0.989 155 E CA 1.951 58.448 56.400 0.162 0.000 0.800 155 E CB -0.120 29.641 29.700 0.102 0.000 0.746 155 E HN 0.120 nan 8.360 nan 0.000 0.452 156 T N 0.029 114.638 114.554 0.092 0.000 2.777 156 T HA -0.170 4.179 4.350 -0.001 0.000 0.266 156 T C 1.418 176.178 174.700 0.100 0.000 1.040 156 T CA 1.308 63.446 62.100 0.063 0.000 1.141 156 T CB -0.509 68.374 68.868 0.025 0.000 0.868 156 T HN 0.345 nan 8.240 nan 0.000 0.444 157 Y N 2.103 122.403 120.300 0.000 0.000 2.049 157 Y HA -0.202 4.347 4.550 -0.001 0.000 0.277 157 Y C 2.379 178.338 175.900 0.099 0.000 1.143 157 Y CA 1.753 59.870 58.100 0.028 0.000 1.115 157 Y CB -0.380 38.090 38.460 0.018 0.000 0.975 157 Y HN 0.232 nan 8.280 nan 0.000 0.487 158 E N -0.450 119.871 120.200 0.201 0.000 2.070 158 E HA -0.287 4.062 4.350 -0.001 0.000 0.197 158 E C 2.446 179.032 176.600 -0.023 0.000 1.004 158 E CA 1.677 58.115 56.400 0.064 0.000 0.805 158 E CB -0.436 29.375 29.700 0.185 0.000 0.744 158 E HN 0.468 nan 8.360 nan 0.000 0.451 159 S N 0.664 116.381 115.700 0.028 0.000 2.370 159 S HA -0.279 4.190 4.470 -0.001 0.000 0.226 159 S C 2.056 176.672 174.600 0.027 0.000 1.033 159 S CA 1.908 60.123 58.200 0.025 0.000 1.011 159 S CB -0.138 63.079 63.200 0.029 0.000 0.852 159 S HN 0.289 nan 8.310 nan 0.000 0.457 160 E N 0.334 120.545 120.200 0.018 0.000 2.072 160 E HA -0.056 4.293 4.350 -0.001 0.000 0.191 160 E C 2.089 178.655 176.600 -0.057 0.000 0.985 160 E CA 1.282 57.718 56.400 0.061 0.000 0.801 160 E CB -0.284 29.444 29.700 0.047 0.000 0.750 160 E HN 0.411 nan 8.360 nan 0.000 0.452 161 M N 0.296 119.776 119.600 -0.199 0.000 2.358 161 M HA -0.025 4.455 4.480 -0.001 0.000 0.264 161 M C 2.069 178.313 176.300 -0.093 0.000 1.064 161 M CA 1.363 56.534 55.300 -0.215 0.000 1.093 161 M CB -0.932 31.443 32.600 -0.375 0.000 1.401 161 M HN 0.321 nan 8.290 nan 0.000 0.440 162 A N 0.094 122.884 122.820 -0.050 0.000 2.206 162 A HA 0.166 4.485 4.320 -0.001 0.000 0.211 162 A C 1.226 178.810 177.584 0.000 0.000 1.158 162 A CA 0.877 52.906 52.037 -0.014 0.000 0.761 162 A CB -0.269 18.733 19.000 0.003 0.000 0.801 162 A HN 0.361 nan 8.150 nan 0.000 0.473 163 V N -3.921 115.995 119.914 0.004 0.000 2.719 163 V HA 0.397 4.516 4.120 -0.001 0.000 0.330 163 V C -0.005 176.069 176.094 -0.033 0.000 1.224 163 V CA 0.017 62.322 62.300 0.007 0.000 1.314 163 V CB -0.303 31.556 31.823 0.059 0.000 1.416 163 V HN 0.091 nan 8.190 nan 0.000 0.651 164 S N 0.439 116.113 115.700 -0.043 0.000 2.561 164 S HA 0.178 4.648 4.470 -0.001 0.000 0.245 164 S C 1.208 175.780 174.600 -0.046 0.000 1.001 164 S CA -0.234 57.931 58.200 -0.059 0.000 1.002 164 S CB -0.015 63.151 63.200 -0.056 0.000 0.805 164 S HN 0.678 nan 8.310 nan 0.000 0.458 165 D N 2.446 122.824 120.400 -0.038 0.000 2.123 165 D HA -0.158 4.482 4.640 -0.001 0.000 0.196 165 D C 2.050 178.328 176.300 -0.038 0.000 0.992 165 D CA 1.021 55.005 54.000 -0.025 0.000 0.833 165 D CB 0.031 40.818 40.800 -0.021 0.000 0.954 165 D HN 0.375 nan 8.370 nan 0.000 0.455 166 R N 0.696 121.159 120.500 -0.061 0.000 2.080 166 R HA -0.119 4.221 4.340 -0.001 0.000 0.236 166 R C 1.963 178.203 176.300 -0.100 0.000 1.137 166 R CA 1.340 57.393 56.100 -0.078 0.000 0.943 166 R CB 0.021 30.266 30.300 -0.092 0.000 0.846 166 R HN 0.083 nan 8.270 nan 0.000 0.431 167 N N 0.606 119.247 118.700 -0.098 0.000 2.166 167 N HA -0.154 4.585 4.740 -0.001 0.000 0.186 167 N C 1.850 177.294 175.510 -0.110 0.000 1.019 167 N CA 1.109 54.089 53.050 -0.118 0.000 0.856 167 N CB -0.134 38.311 38.487 -0.070 0.000 0.993 167 N HN 0.284 nan 8.380 nan 0.000 0.426 168 L N 0.254 121.442 121.223 -0.057 0.000 2.141 168 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 168 L C 2.521 179.419 176.870 0.047 0.000 1.094 168 L CA 0.699 55.532 54.840 -0.012 0.000 0.763 168 L CB -0.344 41.746 42.059 0.051 0.000 0.908 168 L HN 0.131 nan 8.230 nan 0.000 0.437 169 S N 0.132 115.830 115.700 -0.003 0.000 2.356 169 S HA -0.150 4.320 4.470 -0.001 0.000 0.223 169 S C 1.981 176.508 174.600 -0.121 0.000 1.032 169 S CA 1.197 59.384 58.200 -0.023 0.000 1.005 169 S CB -0.178 62.984 63.200 -0.063 0.000 0.867 169 S HN 0.310 nan 8.310 nan 0.000 0.449 170 L N 1.104 122.185 121.223 -0.237 0.000 2.046 170 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 170 L C 2.974 179.683 176.870 -0.267 0.000 1.077 170 L CA 1.286 55.886 54.840 -0.400 0.000 0.747 170 L CB -0.837 40.980 42.059 -0.403 0.000 0.896 170 L HN 0.403 nan 8.230 nan 0.000 0.432 171 A N -0.784 121.921 122.820 -0.192 0.000 1.877 171 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 171 A C 2.192 179.696 177.584 -0.133 0.000 1.186 171 A CA 1.494 53.425 52.037 -0.176 0.000 0.620 171 A CB -0.828 18.046 19.000 -0.210 0.000 0.822 171 A HN 0.406 nan 8.150 nan 0.000 0.443 172 H N -1.726 117.302 119.070 -0.070 0.000 2.321 172 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 172 H C 2.124 177.452 175.328 -0.000 0.000 1.087 172 H CA 2.172 58.202 56.048 -0.031 0.000 1.319 172 H CB -0.355 29.389 29.762 -0.030 0.000 1.379 172 H HN 0.499 nan 8.280 nan 0.000 0.501 173 M N 0.844 120.509 119.600 0.109 0.000 2.080 173 M HA -0.130 4.349 4.480 -0.001 0.000 0.260 173 M C 2.305 178.730 176.300 0.209 0.000 1.068 173 M CA 1.292 56.680 55.300 0.148 0.000 1.109 173 M CB -0.744 31.868 32.600 0.021 0.000 1.342 173 M HN 0.128 nan 8.290 nan 0.000 0.405 174 L N -0.901 120.358 121.223 0.059 0.000 2.012 174 L HA -0.279 4.060 4.340 -0.001 0.000 0.210 174 L C 2.625 179.572 176.870 0.128 0.000 1.073 174 L CA 1.558 56.444 54.840 0.078 0.000 0.748 174 L CB -0.736 41.308 42.059 -0.025 0.000 0.891 174 L HN 0.315 nan 8.230 nan 0.000 0.431 175 R N -0.026 120.519 120.500 0.075 0.000 2.080 175 R HA -0.190 4.150 4.340 -0.001 0.000 0.236 175 R C 2.635 178.990 176.300 0.091 0.000 1.137 175 R CA 1.943 58.083 56.100 0.065 0.000 0.943 175 R CB -0.598 29.724 30.300 0.036 0.000 0.846 175 R HN 0.509 nan 8.270 nan 0.000 0.431 176 S N -0.178 115.584 115.700 0.104 0.000 2.402 176 S HA -0.205 4.265 4.470 -0.001 0.000 0.233 176 S C 1.564 176.126 174.600 -0.063 0.000 1.030 176 S CA 1.249 59.458 58.200 0.013 0.000 1.003 176 S CB -0.413 62.779 63.200 -0.013 0.000 0.813 176 S HN 0.400 nan 8.310 nan 0.000 0.477 177 Y N 1.774 122.120 120.300 0.076 0.000 2.466 177 Y HA 0.409 4.958 4.550 -0.002 0.000 0.272 177 Y C 1.873 177.840 175.900 0.112 0.000 1.169 177 Y CA -0.130 58.039 58.100 0.116 0.000 1.285 177 Y CB -0.002 38.528 38.460 0.117 0.000 1.078 177 Y HN 0.445 nan 8.280 nan 0.000 0.523 178 G N -0.263 108.641 108.800 0.172 0.000 2.147 178 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 178 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 178 G C 0.749 175.713 174.900 0.107 0.000 1.005 178 G CA 0.545 45.712 45.100 0.112 0.000 0.713 178 G HN 0.262 nan 8.290 nan 0.000 0.515 179 V N -0.194 119.791 119.914 0.118 0.000 3.174 179 V HA 0.329 4.449 4.120 -0.001 0.000 0.254 179 V C 1.344 177.467 176.094 0.048 0.000 1.120 179 V CA 1.114 63.462 62.300 0.081 0.000 1.114 179 V CB 0.134 32.002 31.823 0.075 0.000 0.756 179 V HN 0.406 nan 8.190 nan 0.000 0.467 180 L N 1.246 122.493 121.223 0.041 0.000 2.356 180 L HA 0.386 4.725 4.340 -0.001 0.000 0.277 180 L C 0.768 177.651 176.870 0.021 0.000 0.996 180 L CA -0.344 54.507 54.840 0.019 0.000 0.822 180 L CB 2.042 44.094 42.059 -0.012 0.000 1.256 180 L HN 0.197 nan 8.230 nan 0.000 0.413 181 Q N 0.164 119.977 119.800 0.022 0.000 2.349 181 Q HA 0.134 4.473 4.340 -0.001 0.000 0.209 181 Q C -0.085 175.923 176.000 0.013 0.000 0.920 181 Q CA 0.186 56.001 55.803 0.020 0.000 0.901 181 Q CB 0.353 29.105 28.738 0.023 0.000 1.021 181 Q HN 0.524 nan 8.270 nan 0.000 0.519 182 D N 1.920 122.327 120.400 0.011 0.000 2.414 182 D HA 0.088 4.727 4.640 -0.001 0.000 0.259 182 D C -0.239 176.051 176.300 -0.016 0.000 1.269 182 D CA -0.238 53.766 54.000 0.007 0.000 1.028 182 D CB 0.543 41.355 40.800 0.020 0.000 1.093 182 D HN -0.008 nan 8.370 nan 0.000 0.545 183 S N -0.797 114.892 115.700 -0.019 0.000 2.549 183 S HA 0.248 4.717 4.470 -0.001 0.000 0.286 183 S C 1.104 175.641 174.600 -0.106 0.000 1.314 183 S CA -0.074 58.097 58.200 -0.048 0.000 1.062 183 S CB 0.788 63.976 63.200 -0.020 0.000 0.865 183 S HN 0.404 nan 8.310 nan 0.000 0.498 184 A N 4.563 127.246 122.820 -0.228 0.000 1.902 184 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 184 A C 1.894 179.359 177.584 -0.197 0.000 1.181 184 A CA 1.901 53.734 52.037 -0.339 0.000 0.623 184 A CB -0.927 17.541 19.000 -0.888 0.000 0.818 184 A HN 0.875 nan 8.150 nan 0.000 0.443 185 E N -0.276 119.843 120.200 -0.135 0.000 2.110 185 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 185 E C 1.940 178.528 176.600 -0.019 0.000 0.988 185 E CA 1.324 57.695 56.400 -0.048 0.000 0.804 185 E CB -0.214 29.483 29.700 -0.006 0.000 0.745 185 E HN 0.816 nan 8.360 nan 0.000 0.458 186 E N 0.174 120.363 120.200 -0.018 0.000 2.047 186 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 186 E C 1.780 178.378 176.600 -0.004 0.000 0.987 186 E CA 0.944 57.350 56.400 0.011 0.000 0.799 186 E CB 0.056 29.767 29.700 0.018 0.000 0.752 186 E HN 0.136 nan 8.360 nan 0.000 0.449 187 I N 1.117 121.668 120.570 -0.032 0.000 2.315 187 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 187 I C 2.527 178.591 176.117 -0.089 0.000 1.117 187 I CA 0.740 62.005 61.300 -0.057 0.000 1.404 187 I CB -1.103 36.869 38.000 -0.046 0.000 1.071 187 I HN 0.095 nan 8.210 nan 0.000 0.419 188 V N 1.381 121.262 119.914 -0.055 0.000 2.427 188 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 188 V C 2.817 178.937 176.094 0.043 0.000 1.051 188 V CA 1.678 63.974 62.300 -0.006 0.000 1.048 188 V CB -1.030 30.775 31.823 -0.030 0.000 0.666 188 V HN 0.441 nan 8.190 nan 0.000 0.456 189 A N 0.496 123.345 122.820 0.048 0.000 1.898 189 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 189 A C 2.425 180.114 177.584 0.176 0.000 1.181 189 A CA 1.839 53.975 52.037 0.166 0.000 0.620 189 A CB -1.192 17.939 19.000 0.218 0.000 0.819 189 A HN 0.511 nan 8.150 nan 0.000 0.442 190 G N -1.470 107.323 108.800 -0.011 0.000 2.446 190 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 190 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 190 G C 1.571 176.273 174.900 -0.330 0.000 1.168 190 G CA 1.346 46.329 45.100 -0.195 0.000 0.771 190 G HN 0.589 nan 8.290 nan 0.000 0.551 191 Y N 1.225 121.238 120.300 -0.479 0.000 2.145 191 Y HA -0.110 4.439 4.550 -0.001 0.000 0.286 191 Y C 2.830 178.703 175.900 -0.044 0.000 1.145 191 Y CA 1.585 59.547 58.100 -0.231 0.000 1.148 191 Y CB -0.465 37.897 38.460 -0.164 0.000 0.981 191 Y HN 0.031 nan 8.280 nan 0.000 0.507 192 V N 0.665 120.528 119.914 -0.086 0.000 2.332 192 V HA -0.353 3.767 4.120 -0.001 0.000 0.248 192 V C 2.698 178.793 176.094 0.002 0.000 1.055 192 V CA 1.861 64.105 62.300 -0.093 0.000 1.038 192 V CB -1.613 30.210 31.823 -0.000 0.000 0.651 192 V HN 0.594 nan 8.190 nan 0.000 0.450 193 A N -0.660 122.237 122.820 0.128 0.000 1.877 193 A HA -0.325 3.994 4.320 -0.001 0.000 0.216 193 A C 2.270 179.750 177.584 -0.174 0.000 1.186 193 A CA 2.155 54.157 52.037 -0.059 0.000 0.620 193 A CB -0.638 18.265 19.000 -0.161 0.000 0.822 193 A HN 0.619 nan 8.150 nan 0.000 0.443 194 Q N -0.518 119.216 119.800 -0.110 0.000 2.112 194 Q HA -0.242 4.097 4.340 -0.001 0.000 0.206 194 Q C 1.754 177.660 176.000 -0.156 0.000 0.987 194 Q CA 2.254 58.006 55.803 -0.086 0.000 0.858 194 Q CB -0.416 28.335 28.738 0.022 0.000 0.905 194 Q HN 0.652 nan 8.270 nan 0.000 0.420 195 C N 0.120 119.265 119.300 -0.259 0.000 2.539 195 C HA 0.260 4.719 4.460 -0.001 0.000 0.271 195 C C 2.074 176.988 174.990 -0.127 0.000 1.412 195 C CA 0.288 59.179 59.018 -0.211 0.000 1.729 195 C CB -1.073 26.474 27.740 -0.321 0.000 1.739 195 C HN 0.565 nan 8.230 nan 0.000 0.570 196 A N -0.295 122.431 122.820 -0.157 0.000 2.308 196 A HA 0.318 4.637 4.320 -0.001 0.000 0.217 196 A C 0.750 178.194 177.584 -0.233 0.000 1.216 196 A CA 0.211 52.144 52.037 -0.174 0.000 0.864 196 A CB -0.067 18.804 19.000 -0.215 0.000 0.902 196 A HN 0.289 nan 8.150 nan 0.000 0.499 197 V N 1.551 121.339 119.914 -0.210 0.000 2.540 197 V HA 0.012 4.131 4.120 -0.001 0.000 0.297 197 V C 0.215 176.177 176.094 -0.219 0.000 1.024 197 V CA 0.495 62.669 62.300 -0.210 0.000 1.105 197 V CB 0.514 32.242 31.823 -0.158 0.000 0.938 197 V HN 0.436 nan 8.190 nan 0.000 0.482 198 L N 7.160 128.241 121.223 -0.237 0.000 2.281 198 L HA 0.532 4.871 4.340 -0.001 0.000 0.285 198 L C -0.043 176.617 176.870 -0.349 0.000 1.074 198 L CA 0.006 54.673 54.840 -0.287 0.000 0.817 198 L CB 1.147 43.072 42.059 -0.223 0.000 1.168 198 L HN 0.642 nan 8.230 nan 0.000 0.434 199 V N -0.208 119.365 119.914 -0.568 0.000 3.160 199 V HA 0.863 4.982 4.120 -0.001 0.000 0.310 199 V C -0.165 175.423 176.094 -0.843 0.000 1.181 199 V CA -0.621 61.334 62.300 -0.575 0.000 1.047 199 V CB 1.963 33.507 31.823 -0.466 0.000 1.068 199 V HN 0.713 nan 8.190 nan 0.000 0.441 200 T N -2.016 112.265 114.554 -0.455 0.000 2.942 200 T HA 0.579 4.928 4.350 -0.001 0.000 0.289 200 T C 0.828 175.538 174.700 0.016 0.000 1.044 200 T CA -0.057 61.900 62.100 -0.238 0.000 1.023 200 T CB 1.594 70.403 68.868 -0.099 0.000 1.123 200 T HN 0.680 nan 8.240 nan 0.000 0.512 201 V N 1.648 121.718 119.914 0.260 0.000 2.324 201 V HA -0.208 3.912 4.120 -0.001 0.000 0.250 201 V C 2.734 178.920 176.094 0.152 0.000 1.060 201 V CA 2.082 64.554 62.300 0.286 0.000 1.042 201 V CB -0.843 31.156 31.823 0.294 0.000 0.650 201 V HN 0.910 nan 8.190 nan 0.000 0.450 202 K N -0.514 119.941 120.400 0.091 0.000 2.057 202 K HA -0.189 4.130 4.320 -0.001 0.000 0.207 202 K C 1.928 178.540 176.600 0.020 0.000 1.049 202 K CA 1.670 57.986 56.287 0.049 0.000 0.931 202 K CB -0.354 32.162 32.500 0.027 0.000 0.714 202 K HN 0.504 nan 8.250 nan 0.000 0.440 203 D N 1.243 121.636 120.400 -0.012 0.000 2.092 203 D HA -0.176 4.463 4.640 -0.001 0.000 0.193 203 D C 2.037 178.320 176.300 -0.028 0.000 0.994 203 D CA 1.153 55.121 54.000 -0.052 0.000 0.828 203 D CB -0.258 40.470 40.800 -0.119 0.000 0.963 203 D HN 0.128 nan 8.370 nan 0.000 0.450 204 L N 0.880 122.123 121.223 0.032 0.000 2.043 204 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 204 L C 2.687 179.622 176.870 0.107 0.000 1.075 204 L CA 1.231 56.137 54.840 0.109 0.000 0.752 204 L CB -0.575 41.607 42.059 0.205 0.000 0.891 204 L HN -0.012 nan 8.230 nan 0.000 0.432 205 A N -0.087 122.787 122.820 0.090 0.000 1.883 205 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 205 A C 2.306 179.905 177.584 0.025 0.000 1.186 205 A CA 2.135 54.215 52.037 0.072 0.000 0.624 205 A CB -0.883 18.155 19.000 0.064 0.000 0.822 205 A HN 0.223 nan 8.150 nan 0.000 0.444 206 V N -0.297 119.610 119.914 -0.013 0.000 2.358 206 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 206 V C 2.630 178.649 176.094 -0.127 0.000 1.047 206 V CA 2.231 64.482 62.300 -0.081 0.000 1.035 206 V CB -0.825 30.959 31.823 -0.064 0.000 0.658 206 V HN 0.561 nan 8.190 nan 0.000 0.452 207 M N 0.623 120.173 119.600 -0.083 0.000 2.117 207 M HA -0.087 4.393 4.480 -0.001 0.000 0.262 207 M C 2.281 178.652 176.300 0.118 0.000 1.065 207 M CA 2.179 57.425 55.300 -0.089 0.000 1.114 207 M CB -0.871 31.580 32.600 -0.249 0.000 1.361 207 M HN 0.477 nan 8.290 nan 0.000 0.408 208 G N -0.211 108.682 108.800 0.154 0.000 2.402 208 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.216 208 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.216 208 G C 1.638 176.583 174.900 0.074 0.000 1.162 208 G CA 0.837 46.032 45.100 0.159 0.000 0.777 208 G HN 0.539 nan 8.290 nan 0.000 0.539 209 A N 0.006 122.836 122.820 0.017 0.000 1.978 209 A HA -0.100 4.220 4.320 -0.001 0.000 0.220 209 A C 2.518 180.079 177.584 -0.038 0.000 1.170 209 A CA 1.743 53.768 52.037 -0.020 0.000 0.636 209 A CB -0.965 17.999 19.000 -0.060 0.000 0.810 209 A HN 0.418 nan 8.150 nan 0.000 0.448 210 C N -0.887 118.373 119.300 -0.065 0.000 2.422 210 C HA -0.031 4.428 4.460 -0.001 0.000 0.279 210 C C 2.556 177.559 174.990 0.022 0.000 1.305 210 C CA 1.043 60.026 59.018 -0.058 0.000 1.757 210 C CB -1.381 26.314 27.740 -0.074 0.000 1.962 210 C HN 0.636 nan 8.230 nan 0.000 0.499 211 L N 0.585 121.845 121.223 0.061 0.000 2.209 211 L HA 0.027 4.367 4.340 -0.001 0.000 0.207 211 L C 2.808 179.701 176.870 0.039 0.000 1.094 211 L CA 1.177 56.053 54.840 0.060 0.000 0.790 211 L CB -0.744 41.356 42.059 0.067 0.000 0.932 211 L HN 0.241 nan 8.230 nan 0.000 0.447 212 A N 0.423 123.263 122.820 0.034 0.000 2.015 212 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 212 A C 2.374 179.972 177.584 0.024 0.000 1.163 212 A CA 1.973 54.028 52.037 0.029 0.000 0.646 212 A CB -0.759 18.258 19.000 0.029 0.000 0.806 212 A HN 0.497 nan 8.150 nan 0.000 0.448 213 T N -4.719 109.846 114.554 0.018 0.000 3.067 213 T HA 0.377 4.727 4.350 -0.001 0.000 0.261 213 T C 1.360 176.074 174.700 0.024 0.000 1.110 213 T CA 1.186 63.297 62.100 0.018 0.000 1.113 213 T CB 0.075 68.950 68.868 0.011 0.000 0.917 213 T HN 1.654 nan 8.240 nan 0.000 0.499 214 G N 0.050 108.867 108.800 0.027 0.000 2.134 214 G HA2 0.235 4.195 3.960 -0.001 0.000 0.209 214 G HA3 0.235 4.195 3.960 -0.001 0.000 0.209 214 G C 0.906 175.825 174.900 0.032 0.000 0.993 214 G CA 0.172 45.290 45.100 0.030 0.000 0.669 214 G HN 1.700 nan 8.290 nan 0.000 0.519 215 G N -1.347 107.472 108.800 0.033 0.000 2.229 215 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.189 215 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.189 215 G C 0.158 175.082 174.900 0.040 0.000 1.000 215 G CA 0.101 45.224 45.100 0.038 0.000 0.663 215 G HN 1.065 nan 8.290 nan 0.000 0.493 216 I N 2.442 123.033 120.570 0.035 0.000 2.371 216 I HA 0.292 4.462 4.170 -0.001 0.000 0.290 216 I C 0.592 176.741 176.117 0.055 0.000 1.028 216 I CA -1.059 60.271 61.300 0.050 0.000 1.345 216 I CB 0.719 38.744 38.000 0.041 0.000 1.407 216 I HN 0.102 nan 8.210 nan 0.000 0.501 217 H N 9.365 128.439 119.070 0.006 0.000 2.899 217 H HA 0.127 4.682 4.556 -0.001 0.000 0.303 217 H C -1.582 173.744 175.328 -0.003 0.000 1.042 217 H CA -1.404 54.643 56.048 -0.001 0.000 1.479 217 H CB 1.466 31.222 29.762 -0.010 0.000 1.493 217 H HN 0.335 nan 8.280 nan 0.000 0.534 218 P HA -0.100 nan 4.420 nan 0.000 0.234 218 P C 1.027 178.421 177.300 0.157 0.000 1.167 218 P CA 0.732 63.878 63.100 0.077 0.000 0.763 218 P CB 0.378 32.066 31.700 -0.019 0.000 0.835 219 M N -0.872 118.960 119.600 0.386 0.000 2.461 219 M HA 0.084 4.564 4.480 -0.001 0.000 0.255 219 M C 1.534 177.854 176.300 0.033 0.000 1.137 219 M CA 1.334 56.736 55.300 0.170 0.000 1.086 219 M CB -0.900 31.791 32.600 0.151 0.000 1.356 219 M HN 0.075 nan 8.290 nan 0.000 0.487 220 T N -5.045 109.524 114.554 0.023 0.000 3.009 220 T HA 0.379 4.729 4.350 -0.001 0.000 0.267 220 T C 1.380 176.085 174.700 0.010 0.000 0.942 220 T CA 0.754 62.833 62.100 -0.035 0.000 0.883 220 T CB 0.508 69.301 68.868 -0.125 0.000 1.192 220 T HN 0.429 nan 8.240 nan 0.000 0.524 221 G N 1.607 110.440 108.800 0.055 0.000 2.189 221 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.267 221 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.267 221 G C -0.125 174.800 174.900 0.042 0.000 0.975 221 G CA 0.518 45.646 45.100 0.047 0.000 0.644 221 G HN 0.908 nan 8.290 nan 0.000 0.537 222 E N 0.036 120.262 120.200 0.043 0.000 2.349 222 E HA 0.471 4.820 4.350 -0.001 0.000 0.265 222 E C 0.596 177.230 176.600 0.057 0.000 1.064 222 E CA -0.909 55.511 56.400 0.033 0.000 0.886 222 E CB 0.401 30.105 29.700 0.007 0.000 1.036 222 E HN 0.340 nan 8.360 nan 0.000 0.413 223 R N 4.556 125.080 120.500 0.041 0.000 2.202 223 R HA 0.112 4.452 4.340 -0.001 0.000 0.334 223 R C 0.718 177.045 176.300 0.046 0.000 1.036 223 R CA -0.452 55.675 56.100 0.044 0.000 0.878 223 R CB 0.467 30.786 30.300 0.032 0.000 1.067 223 R HN 0.646 nan 8.270 nan 0.000 0.457 224 M N 3.867 123.502 119.600 0.059 0.000 2.394 224 M HA 0.160 4.639 4.480 -0.001 0.000 0.266 224 M C 0.133 176.460 176.300 0.045 0.000 1.098 224 M CA 0.925 56.258 55.300 0.056 0.000 1.149 224 M CB -0.390 32.256 32.600 0.077 0.000 1.369 224 M HN 0.470 nan 8.290 nan 0.000 0.450 225 L N -1.084 120.166 121.223 0.045 0.000 2.376 225 L HA 0.478 4.818 4.340 -0.001 0.000 0.258 225 L C -2.520 174.374 176.870 0.039 0.000 1.013 225 L CA -2.069 52.795 54.840 0.041 0.000 0.822 225 L CB 1.900 43.987 42.059 0.046 0.000 1.388 225 L HN -0.195 nan 8.230 nan 0.000 0.413 226 P HA 0.087 nan 4.420 nan 0.000 0.275 226 P C 0.430 177.757 177.300 0.044 0.000 1.227 226 P CA -0.342 62.783 63.100 0.042 0.000 0.781 226 P CB 1.091 32.822 31.700 0.053 0.000 0.906 227 S N 2.663 118.383 115.700 0.034 0.000 2.402 227 S HA -0.230 4.239 4.470 -0.001 0.000 0.233 227 S C 1.750 176.374 174.600 0.040 0.000 1.030 227 S CA 1.227 59.447 58.200 0.033 0.000 1.003 227 S CB -1.178 62.036 63.200 0.023 0.000 0.813 227 S HN 0.366 nan 8.310 nan 0.000 0.477 228 I N 1.389 121.983 120.570 0.041 0.000 2.315 228 I HA -0.028 4.141 4.170 -0.001 0.000 0.248 228 I C 2.313 178.535 176.117 0.176 0.000 1.117 228 I CA 0.756 62.087 61.300 0.051 0.000 1.404 228 I CB -0.333 37.645 38.000 -0.037 0.000 1.071 228 I HN 0.196 nan 8.210 nan 0.000 0.419 229 V N 0.705 120.727 119.914 0.181 0.000 2.358 229 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 229 V C 2.644 178.752 176.094 0.022 0.000 1.047 229 V CA 1.663 64.045 62.300 0.136 0.000 1.035 229 V CB -1.190 30.662 31.823 0.047 0.000 0.658 229 V HN 0.528 nan 8.190 nan 0.000 0.452 230 A N -0.094 122.747 122.820 0.036 0.000 1.873 230 A HA -0.235 4.085 4.320 -0.001 0.000 0.215 230 A C 2.396 179.995 177.584 0.025 0.000 1.186 230 A CA 1.913 53.963 52.037 0.022 0.000 0.616 230 A CB -0.592 18.430 19.000 0.035 0.000 0.823 230 A HN 0.446 nan 8.150 nan 0.000 0.442 231 R N -0.597 119.929 120.500 0.043 0.000 2.096 231 R HA -0.247 4.093 4.340 -0.001 0.000 0.240 231 R C 2.412 178.743 176.300 0.051 0.000 1.139 231 R CA 2.115 58.242 56.100 0.045 0.000 0.952 231 R CB -0.234 30.093 30.300 0.045 0.000 0.854 231 R HN 0.438 nan 8.270 nan 0.000 0.436 232 R N 0.289 120.832 120.500 0.072 0.000 2.073 232 R HA -0.081 4.258 4.340 -0.001 0.000 0.234 232 R C 2.040 178.358 176.300 0.031 0.000 1.134 232 R CA 1.909 58.051 56.100 0.070 0.000 0.952 232 R CB -0.877 29.473 30.300 0.083 0.000 0.850 232 R HN 0.142 nan 8.270 nan 0.000 0.433 233 V N 0.007 119.901 119.914 -0.034 0.000 2.332 233 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 233 V C 2.299 178.408 176.094 0.026 0.000 1.055 233 V CA 1.888 64.195 62.300 0.011 0.000 1.038 233 V CB -0.388 31.404 31.823 -0.050 0.000 0.651 233 V HN 0.229 nan 8.190 nan 0.000 0.450 234 V N -0.511 119.410 119.914 0.012 0.000 2.548 234 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 234 V C 2.497 178.604 176.094 0.022 0.000 1.055 234 V CA 1.932 64.238 62.300 0.010 0.000 1.065 234 V CB -0.434 31.400 31.823 0.018 0.000 0.681 234 V HN 0.544 nan 8.190 nan 0.000 0.462 235 S N 0.193 115.916 115.700 0.038 0.000 2.359 235 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 235 S C 1.974 176.595 174.600 0.035 0.000 1.035 235 S CA 1.609 59.835 58.200 0.042 0.000 1.018 235 S CB -0.236 62.999 63.200 0.058 0.000 0.876 235 S HN 0.399 nan 8.310 nan 0.000 0.448 236 V N 1.636 121.581 119.914 0.051 0.000 2.809 236 V HA -0.056 4.063 4.120 -0.001 0.000 0.256 236 V C 2.065 178.132 176.094 -0.046 0.000 1.080 236 V CA 1.208 63.520 62.300 0.020 0.000 1.102 236 V CB -0.606 31.265 31.823 0.080 0.000 0.705 236 V HN 0.460 nan 8.190 nan 0.000 0.475 237 M N -0.558 119.018 119.600 -0.040 0.000 2.156 237 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 237 M C 2.308 178.563 176.300 -0.076 0.000 1.067 237 M CA 1.929 57.176 55.300 -0.088 0.000 1.131 237 M CB -0.538 32.020 32.600 -0.071 0.000 1.368 237 M HN 0.339 nan 8.290 nan 0.000 0.416 238 T N 0.343 114.887 114.554 -0.016 0.000 2.708 238 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 238 T C 1.911 176.619 174.700 0.012 0.000 1.037 238 T CA 1.961 64.076 62.100 0.025 0.000 1.146 238 T CB -0.346 68.548 68.868 0.044 0.000 0.865 238 T HN 0.542 nan 8.240 nan 0.000 0.435 239 S N 0.592 116.287 115.700 -0.008 0.000 2.446 239 S HA 0.074 4.543 4.470 -0.001 0.000 0.225 239 S C 1.872 176.437 174.600 -0.058 0.000 1.016 239 S CA 0.710 58.903 58.200 -0.012 0.000 0.943 239 S CB -0.001 63.199 63.200 -0.000 0.000 0.786 239 S HN 0.331 nan 8.310 nan 0.000 0.508 240 S N 0.103 115.731 115.700 -0.120 0.000 2.687 240 S HA 0.382 4.851 4.470 -0.001 0.000 0.247 240 S C 1.762 176.124 174.600 -0.397 0.000 1.050 240 S CA -0.002 58.075 58.200 -0.205 0.000 1.063 240 S CB 0.320 63.413 63.200 -0.177 0.000 1.039 240 S HN 0.607 nan 8.310 nan 0.000 0.580 241 G N 2.398 110.988 108.800 -0.350 0.000 2.469 241 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 241 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 241 G C 1.012 175.529 174.900 -0.639 0.000 1.150 241 G CA 0.876 45.703 45.100 -0.455 0.000 0.763 241 G HN 0.382 nan 8.290 nan 0.000 0.561 242 M N 0.391 119.690 119.600 -0.502 0.000 2.637 242 M HA 0.322 4.802 4.480 -0.001 0.000 0.286 242 M C 0.177 176.430 176.300 -0.079 0.000 1.246 242 M CA -1.128 53.960 55.300 -0.354 0.000 0.978 242 M CB -1.345 31.009 32.600 -0.410 0.000 1.417 242 M HN 0.365 nan 8.290 nan 0.000 0.487 243 Y N -0.321 119.920 120.300 -0.098 0.000 2.875 243 Y HA -0.437 4.113 4.550 -0.001 0.000 0.467 243 Y C 1.453 177.334 175.900 -0.033 0.000 1.183 243 Y CA 1.482 59.546 58.100 -0.059 0.000 2.568 243 Y CB -1.416 37.011 38.460 -0.055 0.000 1.216 243 Y HN 0.225 nan 8.280 nan 0.000 0.629 244 D N 0.238 120.751 120.400 0.189 0.000 2.350 244 D HA 0.058 4.698 4.640 -0.001 0.000 0.216 244 D C 1.519 177.871 176.300 0.087 0.000 0.968 244 D CA 1.245 55.303 54.000 0.096 0.000 0.894 244 D CB -0.362 40.477 40.800 0.065 0.000 0.909 244 D HN 0.517 nan 8.370 nan 0.000 0.520 245 A N 0.131 123.015 122.820 0.107 0.000 2.345 245 A HA 0.417 4.736 4.320 -0.001 0.000 0.225 245 A C 2.072 179.741 177.584 0.143 0.000 1.243 245 A CA 0.592 52.698 52.037 0.116 0.000 0.875 245 A CB 0.062 19.137 19.000 0.125 0.000 0.929 245 A HN 0.117 nan 8.150 nan 0.000 0.502 246 A N -0.022 122.857 122.820 0.098 0.000 1.978 246 A HA 0.053 4.373 4.320 -0.001 0.000 0.220 246 A C 2.215 179.896 177.584 0.163 0.000 1.170 246 A CA 1.929 54.029 52.037 0.106 0.000 0.636 246 A CB -0.953 18.063 19.000 0.027 0.000 0.810 246 A HN 0.652 nan 8.150 nan 0.000 0.448 247 G N 0.093 108.966 108.800 0.121 0.000 2.434 247 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.214 247 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.214 247 G C 1.566 176.539 174.900 0.122 0.000 1.202 247 G CA 1.212 46.376 45.100 0.106 0.000 0.788 247 G HN 0.734 nan 8.290 nan 0.000 0.539 248 Q N -0.608 119.268 119.800 0.127 0.000 2.124 248 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 248 Q C 2.265 178.348 176.000 0.138 0.000 0.977 248 Q CA 1.662 57.533 55.803 0.114 0.000 0.850 248 Q CB -0.917 27.885 28.738 0.106 0.000 0.901 248 Q HN 0.636 nan 8.270 nan 0.000 0.429 249 W N 1.457 122.774 121.300 0.028 0.000 2.358 249 W HA -0.139 4.520 4.660 -0.001 0.000 0.303 249 W C 1.633 178.159 176.519 0.011 0.000 1.208 249 W CA 1.197 58.553 57.345 0.020 0.000 1.274 249 W CB -0.279 29.187 29.460 0.010 0.000 1.138 249 W HN 0.340 nan 8.180 nan 0.000 0.515 250 L N 1.246 122.572 121.223 0.173 0.000 2.017 250 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 250 L C 2.547 179.440 176.870 0.037 0.000 1.073 250 L CA 2.225 57.109 54.840 0.073 0.000 0.745 250 L CB -1.001 41.131 42.059 0.121 0.000 0.894 250 L HN -0.004 nan 8.230 nan 0.000 0.432 251 A N -0.307 122.560 122.820 0.078 0.000 1.855 251 A HA -0.209 4.110 4.320 -0.001 0.000 0.215 251 A C 1.841 179.490 177.584 0.108 0.000 1.191 251 A CA 1.752 53.857 52.037 0.113 0.000 0.613 251 A CB -0.565 18.470 19.000 0.059 0.000 0.829 251 A HN 0.492 nan 8.150 nan 0.000 0.442 252 D N -0.656 119.734 120.400 -0.016 0.000 2.149 252 D HA -0.039 4.600 4.640 -0.001 0.000 0.201 252 D C 1.932 178.132 176.300 -0.166 0.000 0.972 252 D CA 1.589 55.544 54.000 -0.074 0.000 0.835 252 D CB -0.062 40.679 40.800 -0.097 0.000 0.966 252 D HN 0.287 nan 8.370 nan 0.000 0.476 253 V N -0.766 118.882 119.914 -0.443 0.000 2.806 253 V HA 0.248 4.367 4.120 -0.001 0.000 0.239 253 V C 1.639 177.362 176.094 -0.619 0.000 1.113 253 V CA 0.736 62.664 62.300 -0.620 0.000 1.137 253 V CB -0.036 30.954 31.823 -1.388 0.000 0.865 253 V HN 0.283 nan 8.190 nan 0.000 0.482 254 G N 1.276 109.613 108.800 -0.772 0.000 2.160 254 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.251 254 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.251 254 G C -0.067 174.525 174.900 -0.514 0.000 1.008 254 G CA 0.541 44.997 45.100 -1.073 0.000 0.724 254 G HN 0.504 nan 8.290 nan 0.000 0.514 255 I N 0.656 121.096 120.570 -0.217 0.000 2.410 255 I HA 0.295 4.465 4.170 -0.001 0.000 0.286 255 I C -2.305 173.987 176.117 0.292 0.000 1.009 255 I CA -2.572 58.756 61.300 0.047 0.000 1.111 255 I CB 2.281 40.332 38.000 0.085 0.000 1.262 255 I HN -0.190 nan 8.210 nan 0.000 0.443 256 P HA 0.174 nan 4.420 nan 0.000 0.263 256 P C -0.722 176.652 177.300 0.122 0.000 1.195 256 P CA 0.210 63.389 63.100 0.131 0.000 0.762 256 P CB 0.705 32.441 31.700 0.060 0.000 0.799 257 A N 2.607 125.449 122.820 0.037 0.000 2.608 257 A HA 0.765 5.084 4.320 -0.001 0.000 0.292 257 A C -1.422 176.059 177.584 -0.171 0.000 1.066 257 A CA -0.536 51.488 52.037 -0.022 0.000 0.676 257 A CB 1.576 20.626 19.000 0.084 0.000 1.277 257 A HN 0.320 nan 8.150 nan 0.000 0.413 258 K N 0.173 120.499 120.400 -0.123 0.000 2.513 258 K HA 0.666 4.986 4.320 -0.001 0.000 0.251 258 K C -0.819 175.743 176.600 -0.063 0.000 0.939 258 K CA 0.044 56.245 56.287 -0.144 0.000 0.793 258 K CB 2.019 34.441 32.500 -0.130 0.000 1.241 258 K HN 0.927 nan 8.250 nan 0.000 0.431 259 S N 1.802 117.463 115.700 -0.065 0.000 2.608 259 S HA 0.861 5.330 4.470 -0.001 0.000 0.291 259 S C -0.433 174.200 174.600 0.055 0.000 1.146 259 S CA -0.289 57.911 58.200 0.000 0.000 1.043 259 S CB 0.972 64.154 63.200 -0.029 0.000 1.037 259 S HN 0.712 nan 8.310 nan 0.000 0.520 260 G N 0.603 109.453 108.800 0.084 0.000 2.482 260 G HA2 0.467 4.427 3.960 -0.001 0.000 0.317 260 G HA3 0.467 4.427 3.960 -0.001 0.000 0.317 260 G C 0.664 175.624 174.900 0.100 0.000 1.241 260 G CA -0.402 44.767 45.100 0.115 0.000 0.967 260 G HN 1.240 nan 8.290 nan 0.000 0.482 261 V N -0.879 119.105 119.914 0.117 0.000 3.383 261 V HA 0.214 4.333 4.120 -0.001 0.000 0.272 261 V C 1.821 177.973 176.094 0.097 0.000 1.181 261 V CA 1.766 64.133 62.300 0.112 0.000 1.171 261 V CB -0.472 31.459 31.823 0.180 0.000 0.800 261 V HN 0.818 nan 8.190 nan 0.000 0.515 262 A N -0.295 122.596 122.820 0.119 0.000 2.303 262 A HA 0.605 4.924 4.320 -0.001 0.000 0.217 262 A C 1.934 179.580 177.584 0.104 0.000 1.205 262 A CA 0.793 52.913 52.037 0.139 0.000 0.875 262 A CB 0.000 19.149 19.000 0.248 0.000 0.910 262 A HN 1.538 nan 8.150 nan 0.000 0.501 263 G N -1.832 106.975 108.800 0.011 0.000 2.211 263 G HA2 0.012 3.972 3.960 -0.001 0.000 0.201 263 G HA3 0.012 3.972 3.960 -0.001 0.000 0.201 263 G C 0.656 175.483 174.900 -0.122 0.000 0.997 263 G CA 0.019 45.062 45.100 -0.095 0.000 0.652 263 G HN 1.304 nan 8.290 nan 0.000 0.500 264 G N -0.549 108.140 108.800 -0.184 0.000 2.444 264 G HA2 0.645 4.605 3.960 -0.001 0.000 0.268 264 G HA3 0.645 4.605 3.960 -0.001 0.000 0.268 264 G C -0.523 174.427 174.900 0.083 0.000 1.203 264 G CA 0.138 45.160 45.100 -0.130 0.000 0.835 264 G HN 1.044 nan 8.290 nan 0.000 0.543 265 V N 2.993 122.986 119.914 0.132 0.000 2.623 265 V HA 0.341 4.460 4.120 -0.001 0.000 0.304 265 V C -0.163 176.027 176.094 0.159 0.000 1.054 265 V CA -0.821 61.550 62.300 0.119 0.000 0.882 265 V CB 1.696 33.578 31.823 0.100 0.000 1.002 265 V HN 0.705 nan 8.190 nan 0.000 0.424 266 L N 4.103 125.406 121.223 0.133 0.000 2.292 266 L HA 0.860 5.199 4.340 -0.001 0.000 0.284 266 L C 0.380 177.318 176.870 0.114 0.000 1.065 266 L CA 0.132 55.059 54.840 0.145 0.000 0.806 266 L CB 1.342 43.480 42.059 0.131 0.000 1.175 266 L HN 0.835 nan 8.230 nan 0.000 0.431 267 G N 3.164 112.045 108.800 0.135 0.000 2.542 267 G HA2 0.736 4.696 3.960 -0.001 0.000 0.311 267 G HA3 0.736 4.696 3.960 -0.001 0.000 0.311 267 G C -1.565 173.400 174.900 0.108 0.000 1.298 267 G CA -0.363 44.816 45.100 0.132 0.000 0.973 267 G HN 0.838 nan 8.290 nan 0.000 0.487 268 A N 1.628 124.502 122.820 0.090 0.000 2.611 268 A HA 0.550 4.869 4.320 -0.001 0.000 0.282 268 A C -1.468 176.152 177.584 0.060 0.000 1.114 268 A CA -0.456 51.623 52.037 0.070 0.000 0.800 268 A CB 1.200 20.233 19.000 0.056 0.000 1.325 268 A HN 1.035 nan 8.150 nan 0.000 0.411 269 L N 4.047 125.304 121.223 0.057 0.000 2.262 269 L HA 0.587 4.926 4.340 -0.001 0.000 0.288 269 L C -2.533 174.361 176.870 0.039 0.000 1.035 269 L CA -1.942 52.925 54.840 0.046 0.000 0.820 269 L CB 0.912 42.999 42.059 0.046 0.000 1.204 269 L HN 0.320 nan 8.230 nan 0.000 0.424 270 P HA 0.120 nan 4.420 nan 0.000 0.260 270 P C 0.749 178.068 177.300 0.031 0.000 1.172 270 P CA 1.210 64.329 63.100 0.033 0.000 0.760 270 P CB 0.493 32.213 31.700 0.033 0.000 0.773 271 G N 3.258 112.075 108.800 0.028 0.000 2.196 271 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.268 271 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.268 271 G C 1.038 175.951 174.900 0.022 0.000 0.975 271 G CA 0.761 45.876 45.100 0.025 0.000 0.648 271 G HN 0.536 nan 8.290 nan 0.000 0.538 272 R N -1.793 118.721 120.500 0.024 0.000 2.437 272 R HA 0.655 4.994 4.340 -0.001 0.000 0.184 272 R C 0.273 176.584 176.300 0.019 0.000 0.850 272 R CA 0.797 56.908 56.100 0.019 0.000 1.073 272 R CB 1.153 31.467 30.300 0.023 0.000 1.336 272 R HN 0.771 nan 8.270 nan 0.000 0.640 273 V N -0.341 119.590 119.914 0.029 0.000 3.177 273 V HA 0.636 4.755 4.120 -0.001 0.000 0.287 273 V C -1.728 174.394 176.094 0.048 0.000 1.465 273 V CA -0.765 61.556 62.300 0.035 0.000 1.020 273 V CB 1.993 33.844 31.823 0.047 0.000 1.152 273 V HN 0.281 nan 8.190 nan 0.000 0.448 274 G N 4.756 113.582 108.800 0.043 0.000 2.379 274 G HA2 0.732 4.691 3.960 -0.001 0.000 0.327 274 G HA3 0.732 4.691 3.960 -0.001 0.000 0.327 274 G C -1.054 173.896 174.900 0.083 0.000 1.145 274 G CA -0.549 44.586 45.100 0.058 0.000 0.905 274 G HN 0.757 nan 8.290 nan 0.000 0.466 275 I N 1.060 121.697 120.570 0.111 0.000 2.569 275 I HA 0.640 4.810 4.170 -0.001 0.000 0.296 275 I C 0.362 176.573 176.117 0.156 0.000 1.028 275 I CA -0.933 60.449 61.300 0.138 0.000 1.082 275 I CB 2.671 40.766 38.000 0.158 0.000 1.264 275 I HN 0.593 nan 8.210 nan 0.000 0.429 276 G N 4.574 113.475 108.800 0.169 0.000 2.687 276 G HA2 0.687 4.647 3.960 -0.001 0.000 0.301 276 G HA3 0.687 4.647 3.960 -0.001 0.000 0.301 276 G C -1.417 173.618 174.900 0.226 0.000 1.416 276 G CA -0.347 44.874 45.100 0.202 0.000 1.005 276 G HN 0.345 nan 8.290 nan 0.000 0.509 277 V N 1.545 121.607 119.914 0.247 0.000 3.007 277 V HA 0.757 4.877 4.120 -0.001 0.000 0.311 277 V C -1.468 174.783 176.094 0.263 0.000 1.120 277 V CA -0.897 61.563 62.300 0.266 0.000 0.980 277 V CB 2.170 34.140 31.823 0.245 0.000 1.033 277 V HN 0.771 nan 8.190 nan 0.000 0.429 278 F N 2.336 122.331 119.950 0.074 0.000 2.585 278 F HA 0.777 5.304 4.527 -0.001 0.000 0.319 278 F C -0.461 175.299 175.800 -0.067 0.000 1.165 278 F CA -0.470 57.434 58.000 -0.160 0.000 0.949 278 F CB 2.005 40.881 39.000 -0.207 0.000 1.218 278 F HN 0.450 nan 8.300 nan 0.000 0.453 279 S N 7.801 123.049 115.700 -0.753 0.000 2.382 279 S HA 0.346 4.816 4.470 -0.001 0.000 0.228 279 S C -2.382 171.845 174.600 -0.621 0.000 0.996 279 S CA -0.817 56.901 58.200 -0.804 0.000 1.094 279 S CB 1.149 63.906 63.200 -0.738 0.000 1.209 279 S HN 0.406 nan 8.310 nan 0.000 0.420 280 P HA -0.161 nan 4.420 nan 0.000 0.220 280 P C -0.076 177.104 177.300 -0.200 0.000 1.155 280 P CA 1.322 64.232 63.100 -0.316 0.000 0.880 280 P CB 0.078 31.626 31.700 -0.253 0.000 0.790 281 R N -0.040 120.327 120.500 -0.221 0.000 2.389 281 R HA 0.313 4.652 4.340 -0.001 0.000 0.295 281 R C 0.054 176.275 176.300 -0.132 0.000 1.075 281 R CA -0.336 55.673 56.100 -0.153 0.000 1.005 281 R CB 0.159 30.370 30.300 -0.149 0.000 0.987 281 R HN 0.148 nan 8.270 nan 0.000 0.452 282 L N 2.521 123.694 121.223 -0.084 0.000 2.334 282 L HA 0.276 4.615 4.340 -0.001 0.000 0.275 282 L C 0.353 177.194 176.870 -0.048 0.000 1.036 282 L CA -0.953 53.852 54.840 -0.059 0.000 0.807 282 L CB 1.324 43.365 42.059 -0.030 0.000 1.231 282 L HN 0.659 nan 8.230 nan 0.000 0.438 283 D N 0.309 120.687 120.400 -0.037 0.000 2.398 283 D HA -0.024 4.616 4.640 -0.001 0.000 0.264 283 D C 0.905 177.193 176.300 -0.020 0.000 1.263 283 D CA -0.442 53.542 54.000 -0.026 0.000 1.037 283 D CB 0.308 41.101 40.800 -0.010 0.000 1.101 283 D HN 0.596 nan 8.370 nan 0.000 0.551 284 E N -0.136 120.056 120.200 -0.014 0.000 2.409 284 E HA -0.136 4.213 4.350 -0.001 0.000 0.198 284 E C 1.552 178.139 176.600 -0.021 0.000 1.024 284 E CA 1.028 57.419 56.400 -0.016 0.000 0.861 284 E CB -0.699 28.994 29.700 -0.011 0.000 0.788 284 E HN 0.437 nan 8.360 nan 0.000 0.521 285 V N -3.811 116.091 119.914 -0.021 0.000 3.578 285 V HA 0.583 4.703 4.120 -0.001 0.000 0.290 285 V C 1.299 177.363 176.094 -0.051 0.000 1.376 285 V CA 0.323 62.599 62.300 -0.039 0.000 1.083 285 V CB 0.035 31.844 31.823 -0.024 0.000 0.911 285 V HN 0.294 nan 8.190 nan 0.000 0.433 286 G N 0.610 109.392 108.800 -0.030 0.000 2.176 286 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.232 286 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.232 286 G C 0.004 174.901 174.900 -0.005 0.000 0.986 286 G CA 0.144 45.233 45.100 -0.019 0.000 0.643 286 G HN 0.588 nan 8.290 nan 0.000 0.522 287 N N 0.510 119.205 118.700 -0.009 0.000 2.463 287 N HA 0.459 5.198 4.740 -0.001 0.000 0.270 287 N C 0.293 175.784 175.510 -0.032 0.000 1.205 287 N CA 0.324 53.365 53.050 -0.014 0.000 0.974 287 N CB 1.305 39.777 38.487 -0.025 0.000 1.197 287 N HN 0.212 nan 8.380 nan 0.000 0.504 288 S N 0.337 116.011 115.700 -0.044 0.000 2.481 288 S HA 0.205 4.674 4.470 -0.001 0.000 0.282 288 S C 1.314 175.862 174.600 -0.088 0.000 1.243 288 S CA -0.377 57.769 58.200 -0.090 0.000 1.078 288 S CB -0.002 63.134 63.200 -0.107 0.000 0.916 288 S HN 0.551 nan 8.310 nan 0.000 0.495 289 A N 6.660 129.413 122.820 -0.111 0.000 1.849 289 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 289 A C 2.212 179.727 177.584 -0.115 0.000 1.202 289 A CA 1.826 53.806 52.037 -0.095 0.000 0.629 289 A CB -0.609 18.325 19.000 -0.110 0.000 0.834 289 A HN 0.923 nan 8.150 nan 0.000 0.447 290 R N -0.934 119.417 120.500 -0.247 0.000 2.148 290 R HA -0.008 4.331 4.340 -0.001 0.000 0.223 290 R C 2.317 178.508 176.300 -0.182 0.000 1.088 290 R CA 0.823 56.723 56.100 -0.332 0.000 0.985 290 R CB -0.511 29.253 30.300 -0.893 0.000 0.880 290 R HN 0.557 nan 8.270 nan 0.000 0.451 291 G N 0.723 109.433 108.800 -0.150 0.000 2.418 291 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 291 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 291 G C 1.501 176.477 174.900 0.126 0.000 1.158 291 G CA 1.100 46.209 45.100 0.016 0.000 0.771 291 G HN 0.300 nan 8.290 nan 0.000 0.545 292 V N -1.049 118.941 119.914 0.127 0.000 2.488 292 V HA 0.064 4.184 4.120 -0.001 0.000 0.246 292 V C 2.529 178.773 176.094 0.249 0.000 1.046 292 V CA 1.369 63.844 62.300 0.291 0.000 1.053 292 V CB -0.555 31.453 31.823 0.307 0.000 0.679 292 V HN 0.169 nan 8.190 nan 0.000 0.458 293 L N 1.688 122.993 121.223 0.136 0.000 2.131 293 L HA 0.103 4.442 4.340 -0.001 0.000 0.210 293 L C 2.585 179.523 176.870 0.113 0.000 1.092 293 L CA 2.134 57.032 54.840 0.097 0.000 0.759 293 L CB -1.211 40.879 42.059 0.052 0.000 0.903 293 L HN 0.377 nan 8.230 nan 0.000 0.435 294 A N -1.840 121.078 122.820 0.164 0.000 1.930 294 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 294 A C 2.395 180.080 177.584 0.168 0.000 1.175 294 A CA 1.544 53.699 52.037 0.197 0.000 0.627 294 A CB -1.281 17.899 19.000 0.300 0.000 0.815 294 A HN 0.571 nan 8.150 nan 0.000 0.443 295 C N -1.217 118.195 119.300 0.188 0.000 2.446 295 C HA -0.032 4.428 4.460 -0.001 0.000 0.277 295 C C 2.783 177.786 174.990 0.022 0.000 1.275 295 C CA 1.156 60.273 59.018 0.165 0.000 1.727 295 C CB -1.179 26.759 27.740 0.330 0.000 2.010 295 C HN 0.721 nan 8.230 nan 0.000 0.486 296 R N 0.511 120.994 120.500 -0.029 0.000 2.105 296 R HA -0.116 4.224 4.340 -0.001 0.000 0.239 296 R C 2.398 178.676 176.300 -0.037 0.000 1.135 296 R CA 1.321 57.355 56.100 -0.110 0.000 0.967 296 R CB -0.164 30.086 30.300 -0.085 0.000 0.861 296 R HN 0.387 nan 8.270 nan 0.000 0.442 297 R N 0.588 121.098 120.500 0.018 0.000 2.066 297 R HA -0.061 4.278 4.340 -0.001 0.000 0.232 297 R C 2.350 178.661 176.300 0.019 0.000 1.131 297 R CA 1.094 57.210 56.100 0.026 0.000 0.955 297 R CB -0.839 29.493 30.300 0.054 0.000 0.851 297 R HN 0.324 nan 8.270 nan 0.000 0.432 298 L N 0.291 121.555 121.223 0.067 0.000 2.042 298 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 298 L C 2.625 179.523 176.870 0.046 0.000 1.076 298 L CA 1.522 56.404 54.840 0.071 0.000 0.749 298 L CB -0.521 41.653 42.059 0.192 0.000 0.893 298 L HN 0.216 nan 8.230 nan 0.000 0.432 299 S N -0.293 115.425 115.700 0.030 0.000 2.355 299 S HA -0.191 4.278 4.470 -0.001 0.000 0.222 299 S C 1.806 176.422 174.600 0.027 0.000 1.031 299 S CA 1.535 59.753 58.200 0.030 0.000 0.993 299 S CB -0.061 63.114 63.200 -0.041 0.000 0.859 299 S HN 0.471 nan 8.310 nan 0.000 0.453 300 E N 0.396 120.588 120.200 -0.013 0.000 2.072 300 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 300 E C 1.666 178.239 176.600 -0.046 0.000 0.982 300 E CA 1.269 57.656 56.400 -0.021 0.000 0.803 300 E CB -0.172 29.511 29.700 -0.028 0.000 0.755 300 E HN 0.517 nan 8.360 nan 0.000 0.453 301 D N -0.019 120.308 120.400 -0.122 0.000 2.183 301 D HA -0.071 4.569 4.640 -0.001 0.000 0.203 301 D C 1.306 177.460 176.300 -0.244 0.000 0.969 301 D CA 0.979 54.832 54.000 -0.245 0.000 0.842 301 D CB -0.050 40.504 40.800 -0.411 0.000 0.957 301 D HN 0.208 nan 8.370 nan 0.000 0.484 302 F N -0.310 119.583 119.950 -0.095 0.000 2.678 302 F HA 0.213 4.740 4.527 -0.001 0.000 0.305 302 F C 0.528 176.300 175.800 -0.047 0.000 1.090 302 F CA -0.675 57.261 58.000 -0.107 0.000 1.272 302 F CB 0.661 39.576 39.000 -0.143 0.000 1.060 302 F HN -0.379 nan 8.300 nan 0.000 0.576 303 R N 0.914 121.498 120.500 0.140 0.000 3.776 303 R HA -0.159 4.180 4.340 -0.001 0.000 0.312 303 R C -0.580 175.796 176.300 0.125 0.000 1.181 303 R CA 0.260 56.420 56.100 0.100 0.000 0.836 303 R CB -2.593 27.747 30.300 0.067 0.000 1.324 303 R HN 0.324 nan 8.270 nan 0.000 0.501 304 L N 1.801 123.112 121.223 0.147 0.000 2.454 304 L HA 0.166 4.506 4.340 -0.001 0.000 0.284 304 L C 0.614 177.557 176.870 0.122 0.000 1.139 304 L CA 0.369 55.283 54.840 0.124 0.000 0.911 304 L CB 0.177 42.318 42.059 0.137 0.000 1.262 304 L HN 0.096 nan 8.230 nan 0.000 0.453 305 H N 3.125 122.205 119.070 0.017 0.000 3.042 305 H HA 0.072 4.628 4.556 -0.001 0.000 0.345 305 H C 0.191 175.524 175.328 0.008 0.000 1.052 305 H CA -0.715 55.332 56.048 -0.002 0.000 1.311 305 H CB 1.870 31.619 29.762 -0.020 0.000 1.810 305 H HN 0.390 nan 8.280 nan 0.000 0.505 306 L N 3.810 125.031 121.223 -0.003 0.000 2.103 306 L HA -0.179 4.161 4.340 -0.001 0.000 0.215 306 L C 1.706 178.690 176.870 0.190 0.000 1.080 306 L CA 1.883 56.768 54.840 0.075 0.000 0.764 306 L CB -0.321 41.736 42.059 -0.002 0.000 0.890 306 L HN 0.632 nan 8.230 nan 0.000 0.435 307 M N -1.048 118.806 119.600 0.424 0.000 2.618 307 M HA 0.074 4.554 4.480 -0.001 0.000 0.240 307 M C -0.181 176.169 176.300 0.083 0.000 1.123 307 M CA 0.215 55.633 55.300 0.198 0.000 1.060 307 M CB -0.412 32.264 32.600 0.127 0.000 1.535 307 M HN 0.003 nan 8.290 nan 0.000 0.507 308 D N 0.881 121.350 120.400 0.115 0.000 2.456 308 D HA 0.346 4.985 4.640 -0.001 0.000 0.219 308 D C 0.523 176.853 176.300 0.050 0.000 1.126 308 D CA 0.120 54.146 54.000 0.044 0.000 0.890 308 D CB 0.459 41.292 40.800 0.054 0.000 1.025 308 D HN 0.217 nan 8.370 nan 0.000 0.511 309 G N 1.398 110.217 108.800 0.031 0.000 2.716 309 G HA2 0.269 4.228 3.960 -0.001 0.000 0.251 309 G HA3 0.269 4.228 3.960 -0.001 0.000 0.251 309 G C -0.106 174.809 174.900 0.025 0.000 1.224 309 G CA -0.038 45.081 45.100 0.030 0.000 0.891 309 G HN 0.438 nan 8.290 nan 0.000 0.561 310 D N -1.280 119.135 120.400 0.026 0.000 2.686 310 D HA 0.172 4.811 4.640 -0.001 0.000 0.229 310 D C -0.643 175.671 176.300 0.024 0.000 1.391 310 D CA -0.410 53.602 54.000 0.021 0.000 0.948 310 D CB 0.107 40.920 40.800 0.022 0.000 1.513 310 D HN 0.233 nan 8.370 nan 0.000 0.522 311 S N 1.586 117.299 115.700 0.023 0.000 2.607 311 S HA 0.376 4.846 4.470 -0.001 0.000 0.303 311 S C 1.033 175.646 174.600 0.020 0.000 1.086 311 S CA -0.677 57.539 58.200 0.027 0.000 0.995 311 S CB 2.003 65.225 63.200 0.036 0.000 1.084 311 S HN 0.389 nan 8.310 nan 0.000 0.507 312 L N 3.055 124.290 121.223 0.021 0.000 2.017 312 L HA 0.135 4.475 4.340 -0.001 0.000 0.208 312 L C 1.485 178.361 176.870 0.009 0.000 1.073 312 L CA 2.648 57.497 54.840 0.015 0.000 0.745 312 L CB -1.586 40.482 42.059 0.014 0.000 0.894 312 L HN 1.056 nan 8.230 nan 0.000 0.432 313 G N -1.104 107.699 108.800 0.005 0.000 2.611 313 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.301 313 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.301 313 G C 1.041 175.935 174.900 -0.011 0.000 1.233 313 G CA 0.505 45.602 45.100 -0.005 0.000 0.993 313 G HN 0.858 nan 8.290 nan 0.000 0.553 314 G N -1.347 107.450 108.800 -0.003 0.000 2.471 314 G HA2 0.128 4.087 3.960 -0.001 0.000 0.219 314 G HA3 0.128 4.087 3.960 -0.001 0.000 0.219 314 G C 1.625 176.539 174.900 0.024 0.000 1.125 314 G CA 2.016 47.122 45.100 0.010 0.000 0.775 314 G HN 1.148 nan 8.290 nan 0.000 0.548 315 T N 1.379 115.947 114.554 0.024 0.000 3.139 315 T HA 0.146 4.495 4.350 -0.001 0.000 0.267 315 T C 2.445 177.161 174.700 0.027 0.000 1.164 315 T CA 0.791 62.911 62.100 0.034 0.000 1.075 315 T CB -0.077 68.809 68.868 0.030 0.000 0.904 315 T HN 0.379 nan 8.240 nan 0.000 0.540 316 A N 0.763 123.589 122.820 0.010 0.000 2.067 316 A HA 0.182 4.501 4.320 -0.001 0.000 0.217 316 A C 1.161 178.742 177.584 -0.005 0.000 1.156 316 A CA 0.349 52.385 52.037 -0.001 0.000 0.683 316 A CB 0.033 19.021 19.000 -0.020 0.000 0.808 316 A HN 0.369 nan 8.150 nan 0.000 0.455 317 V N 1.030 120.945 119.914 0.002 0.000 2.339 317 V HA 0.177 4.296 4.120 -0.001 0.000 0.261 317 V C 1.412 177.522 176.094 0.026 0.000 1.058 317 V CA -0.282 62.014 62.300 -0.008 0.000 0.897 317 V CB 0.605 32.426 31.823 -0.004 0.000 1.052 317 V HN 0.600 nan 8.190 nan 0.000 0.480 318 R N 4.086 124.597 120.500 0.018 0.000 2.092 318 R HA 0.028 4.368 4.340 -0.001 0.000 0.231 318 R C 0.201 176.653 176.300 0.255 0.000 1.119 318 R CA 1.471 57.644 56.100 0.121 0.000 0.970 318 R CB 0.262 30.654 30.300 0.153 0.000 0.864 318 R HN 0.726 nan 8.270 nan 0.000 0.440 319 F N -5.169 114.804 119.950 0.037 0.000 2.843 319 F HA 0.342 4.868 4.527 -0.001 0.000 0.323 319 F C -1.989 173.827 175.800 0.026 0.000 1.142 319 F CA -1.489 56.509 58.000 -0.003 0.000 0.925 319 F CB 0.954 39.925 39.000 -0.048 0.000 1.277 319 F HN -0.377 nan 8.300 nan 0.000 0.446 320 V N 1.972 122.004 119.914 0.197 0.000 2.380 320 V HA 0.403 4.522 4.120 -0.001 0.000 0.286 320 V C -0.699 175.537 176.094 0.236 0.000 1.015 320 V CA -0.514 61.861 62.300 0.126 0.000 0.834 320 V CB 1.294 33.133 31.823 0.026 0.000 1.009 320 V HN 0.765 nan 8.190 nan 0.000 0.428 321 E N 3.191 123.598 120.200 0.345 0.000 2.175 321 E HA 0.519 4.869 4.350 -0.001 0.000 0.278 321 E C -0.362 176.408 176.600 0.283 0.000 0.969 321 E CA -0.958 55.617 56.400 0.293 0.000 0.796 321 E CB 2.040 31.921 29.700 0.302 0.000 1.104 321 E HN 0.390 nan 8.360 nan 0.000 0.395 322 R N 2.673 123.283 120.500 0.183 0.000 2.790 322 R HA 0.068 4.407 4.340 -0.001 0.000 0.274 322 R C 0.532 176.927 176.300 0.158 0.000 1.334 322 R CA -0.131 56.065 56.100 0.160 0.000 1.543 322 R CB -0.182 30.170 30.300 0.087 0.000 1.154 322 R HN 0.467 nan 8.270 nan 0.000 0.601 323 E N 1.348 121.702 120.200 0.255 0.000 2.085 323 E HA -0.072 4.278 4.350 -0.001 0.000 0.194 323 E C 0.799 177.475 176.600 0.126 0.000 0.994 323 E CA 2.251 58.763 56.400 0.186 0.000 0.801 323 E CB 0.227 30.115 29.700 0.313 0.000 0.743 323 E HN 0.722 nan 8.360 nan 0.000 0.453 324 G N -1.406 107.470 108.800 0.127 0.000 4.302 324 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.137 324 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.137 324 G C 0.680 175.615 174.900 0.058 0.000 1.147 324 G CA 0.343 45.489 45.100 0.077 0.000 1.041 324 G HN 0.211 nan 8.290 nan 0.000 0.344 325 D N 0.888 121.320 120.400 0.055 0.000 2.417 325 D HA 0.167 4.807 4.640 -0.001 0.000 0.207 325 D C 0.970 177.275 176.300 0.008 0.000 1.075 325 D CA 0.072 54.088 54.000 0.026 0.000 0.851 325 D CB 0.392 41.203 40.800 0.019 0.000 0.976 325 D HN 0.570 nan 8.370 nan 0.000 0.505 326 R N -0.626 119.888 120.500 0.022 0.000 2.750 326 R HA 0.670 5.010 4.340 -0.001 0.000 0.281 326 R C -1.231 175.046 176.300 -0.038 0.000 0.972 326 R CA -0.917 55.149 56.100 -0.056 0.000 0.912 326 R CB 1.806 32.039 30.300 -0.113 0.000 1.187 326 R HN -0.217 nan 8.270 nan 0.000 0.464 327 V N 2.345 122.179 119.914 -0.133 0.000 2.547 327 V HA 0.454 4.574 4.120 -0.001 0.000 0.299 327 V C -0.917 175.056 176.094 -0.201 0.000 1.040 327 V CA -0.672 61.604 62.300 -0.040 0.000 0.913 327 V CB 1.343 33.157 31.823 -0.014 0.000 0.992 327 V HN 0.571 nan 8.190 nan 0.000 0.449 328 F N 4.713 124.702 119.950 0.066 0.000 2.332 328 F HA 0.565 5.092 4.527 -0.001 0.000 0.368 328 F C -0.212 175.614 175.800 0.044 0.000 1.110 328 F CA -0.505 57.556 58.000 0.101 0.000 1.087 328 F CB 1.433 40.571 39.000 0.230 0.000 1.235 328 F HN 0.265 nan 8.300 nan 0.000 0.470 329 L N 5.171 126.426 121.223 0.053 0.000 2.276 329 L HA 0.498 4.837 4.340 -0.001 0.000 0.286 329 L C -1.029 175.741 176.870 -0.165 0.000 1.024 329 L CA -0.285 54.514 54.840 -0.068 0.000 0.826 329 L CB 0.078 42.084 42.059 -0.089 0.000 1.211 329 L HN 0.451 nan 8.230 nan 0.000 0.422 330 H N 4.688 123.448 119.070 -0.516 0.000 2.457 330 H HA 0.675 5.231 4.556 -0.001 0.000 0.335 330 H C -0.640 174.523 175.328 -0.275 0.000 1.115 330 H CA -0.343 55.434 56.048 -0.452 0.000 1.219 330 H CB 1.397 30.688 29.762 -0.785 0.000 1.471 330 H HN 0.523 nan 8.280 nan 0.000 0.491 331 L N 2.224 123.395 121.223 -0.087 0.000 2.286 331 L HA 0.604 4.944 4.340 -0.001 0.000 0.265 331 L C -0.260 176.608 176.870 -0.003 0.000 1.012 331 L CA -0.939 53.873 54.840 -0.048 0.000 0.818 331 L CB 1.775 43.796 42.059 -0.063 0.000 1.337 331 L HN 0.689 nan 8.230 nan 0.000 0.438 332 Q N 0.028 119.833 119.800 0.008 0.000 2.687 332 Q HA 0.647 4.986 4.340 -0.001 0.000 0.295 332 Q C -0.391 175.620 176.000 0.018 0.000 0.920 332 Q CA -0.404 55.414 55.803 0.026 0.000 0.766 332 Q CB 2.165 30.934 28.738 0.051 0.000 1.467 332 Q HN 0.863 nan 8.270 nan 0.000 0.415 333 G N -0.411 108.403 108.800 0.022 0.000 2.741 333 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.222 333 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.222 333 G C -0.817 174.092 174.900 0.014 0.000 1.364 333 G CA -0.443 44.669 45.100 0.019 0.000 0.866 333 G HN 0.963 nan 8.290 nan 0.000 0.555 334 V N 1.155 121.079 119.914 0.016 0.000 2.356 334 V HA 0.347 4.467 4.120 -0.001 0.000 0.258 334 V C 1.076 177.178 176.094 0.014 0.000 1.065 334 V CA -0.054 62.256 62.300 0.016 0.000 0.935 334 V CB 0.479 32.314 31.823 0.020 0.000 1.061 334 V HN 0.535 nan 8.190 nan 0.000 0.484 335 I N 6.773 127.347 120.570 0.007 0.000 2.337 335 I HA 0.387 4.556 4.170 -0.001 0.000 0.291 335 I C 0.777 176.901 176.117 0.011 0.000 1.046 335 I CA 0.129 61.429 61.300 0.000 0.000 1.324 335 I CB 0.344 38.335 38.000 -0.014 0.000 1.409 335 I HN 0.611 nan 8.210 nan 0.000 0.494 336 R N 3.620 124.134 120.500 0.023 0.000 3.236 336 R HA 0.349 4.688 4.340 -0.001 0.000 0.234 336 R C 0.784 177.126 176.300 0.070 0.000 1.541 336 R CA -0.813 55.323 56.100 0.060 0.000 1.038 336 R CB 0.355 30.704 30.300 0.081 0.000 1.587 336 R HN 0.407 nan 8.270 nan 0.000 0.515 337 F N 1.678 121.627 119.950 -0.003 0.000 2.115 337 F HA -0.206 4.321 4.527 -0.001 0.000 0.300 337 F C 1.847 177.645 175.800 -0.003 0.000 1.092 337 F CA 2.374 60.372 58.000 -0.003 0.000 1.245 337 F CB -0.695 38.304 39.000 -0.003 0.000 0.995 337 F HN 0.684 nan 8.300 nan 0.000 0.481 338 G N -0.408 108.444 108.800 0.086 0.000 2.545 338 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 338 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 338 G C 1.915 176.746 174.900 -0.116 0.000 1.218 338 G CA 0.932 46.030 45.100 -0.003 0.000 0.787 338 G HN 0.646 nan 8.290 nan 0.000 0.571 339 G N 0.929 109.686 108.800 -0.072 0.000 2.404 339 G HA2 0.081 4.041 3.960 -0.001 0.000 0.215 339 G HA3 0.081 4.041 3.960 -0.001 0.000 0.215 339 G C 2.131 176.956 174.900 -0.126 0.000 1.174 339 G CA 1.640 46.695 45.100 -0.076 0.000 0.780 339 G HN 0.735 nan 8.290 nan 0.000 0.537 340 A N 0.690 123.422 122.820 -0.146 0.000 1.903 340 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 340 A C 2.207 179.645 177.584 -0.244 0.000 1.191 340 A CA 2.275 54.212 52.037 -0.166 0.000 0.638 340 A CB -0.528 18.385 19.000 -0.145 0.000 0.823 340 A HN 0.382 nan 8.150 nan 0.000 0.451 341 E N 0.166 120.111 120.200 -0.425 0.000 2.058 341 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 341 E C 2.235 178.698 176.600 -0.227 0.000 0.997 341 E CA 1.451 57.584 56.400 -0.445 0.000 0.801 341 E CB -0.398 28.869 29.700 -0.721 0.000 0.746 341 E HN 0.494 nan 8.360 nan 0.000 0.450 342 A N 0.565 123.279 122.820 -0.176 0.000 1.972 342 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 342 A C 2.543 180.082 177.584 -0.075 0.000 1.169 342 A CA 1.429 53.408 52.037 -0.096 0.000 0.635 342 A CB -0.499 18.461 19.000 -0.066 0.000 0.810 342 A HN 0.197 nan 8.150 nan 0.000 0.446 343 V N 0.052 119.912 119.914 -0.089 0.000 2.307 343 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 343 V C 2.530 178.583 176.094 -0.069 0.000 1.045 343 V CA 1.778 64.034 62.300 -0.072 0.000 1.024 343 V CB -0.781 30.996 31.823 -0.077 0.000 0.651 343 V HN 0.579 nan 8.190 nan 0.000 0.449 344 L N 1.085 122.257 121.223 -0.084 0.000 2.043 344 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 344 L C 2.325 179.165 176.870 -0.050 0.000 1.075 344 L CA 2.356 57.154 54.840 -0.069 0.000 0.752 344 L CB -0.858 41.151 42.059 -0.083 0.000 0.891 344 L HN 0.599 nan 8.230 nan 0.000 0.432 345 D N -0.779 119.591 120.400 -0.049 0.000 2.289 345 D HA -0.066 4.573 4.640 -0.001 0.000 0.207 345 D C 1.969 178.258 176.300 -0.018 0.000 0.966 345 D CA 0.829 54.812 54.000 -0.027 0.000 0.868 345 D CB -0.080 40.708 40.800 -0.020 0.000 0.943 345 D HN 0.221 nan 8.370 nan 0.000 0.514 346 A N 0.821 123.626 122.820 -0.024 0.000 1.898 346 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 346 A C 2.231 179.801 177.584 -0.023 0.000 1.181 346 A CA 0.873 52.899 52.037 -0.018 0.000 0.620 346 A CB -0.845 18.140 19.000 -0.025 0.000 0.819 346 A HN 0.269 nan 8.150 nan 0.000 0.442 347 L N -0.863 120.340 121.223 -0.033 0.000 1.994 347 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 347 L C 2.748 179.603 176.870 -0.025 0.000 1.071 347 L CA 1.885 56.705 54.840 -0.034 0.000 0.745 347 L CB -1.043 40.992 42.059 -0.041 0.000 0.892 347 L HN 0.309 nan 8.230 nan 0.000 0.431 348 T N -1.077 113.463 114.554 -0.022 0.000 2.897 348 T HA -0.175 4.175 4.350 -0.001 0.000 0.271 348 T C 1.153 175.847 174.700 -0.009 0.000 1.084 348 T CA 1.240 63.330 62.100 -0.015 0.000 1.123 348 T CB -0.288 68.573 68.868 -0.013 0.000 0.865 348 T HN 0.256 nan 8.240 nan 0.000 0.496 349 D N 0.704 121.101 120.400 -0.006 0.000 2.363 349 D HA 0.108 4.747 4.640 -0.001 0.000 0.226 349 D C 0.125 176.425 176.300 -0.001 0.000 1.020 349 D CA 0.317 54.318 54.000 0.002 0.000 0.892 349 D CB -0.120 40.686 40.800 0.010 0.000 0.900 349 D HN 0.386 nan 8.370 nan 0.000 0.531 350 L N 1.309 122.527 121.223 -0.008 0.000 2.282 350 L HA 0.352 4.692 4.340 -0.001 0.000 0.288 350 L C 0.356 177.220 176.870 -0.010 0.000 1.033 350 L CA -0.955 53.879 54.840 -0.010 0.000 0.807 350 L CB 1.398 43.447 42.059 -0.017 0.000 1.209 350 L HN -0.395 nan 8.230 nan 0.000 0.423 351 R N 2.070 122.566 120.500 -0.007 0.000 2.605 351 R HA 0.059 4.399 4.340 -0.001 0.000 0.271 351 R C 0.896 177.190 176.300 -0.011 0.000 1.418 351 R CA -0.080 56.015 56.100 -0.008 0.000 1.102 351 R CB -0.768 29.529 30.300 -0.005 0.000 1.131 351 R HN 0.655 nan 8.270 nan 0.000 0.554 352 T N -1.892 112.653 114.554 -0.014 0.000 3.176 352 T HA 0.390 4.739 4.350 -0.001 0.000 0.263 352 T C 0.713 175.404 174.700 -0.015 0.000 1.021 352 T CA -0.033 62.057 62.100 -0.017 0.000 0.905 352 T CB 0.672 69.527 68.868 -0.022 0.000 1.057 352 T HN 0.448 nan 8.240 nan 0.000 0.558 353 G N 0.200 108.992 108.800 -0.013 0.000 2.606 353 G HA2 0.580 4.540 3.960 -0.001 0.000 0.300 353 G HA3 0.580 4.540 3.960 -0.001 0.000 0.300 353 G C -1.128 173.766 174.900 -0.010 0.000 1.360 353 G CA -0.527 44.566 45.100 -0.011 0.000 0.783 353 G HN 0.441 nan 8.290 nan 0.000 0.484 354 A N 0.551 123.365 122.820 -0.010 0.000 2.535 354 A HA 0.449 4.768 4.320 -0.001 0.000 0.290 354 A C 0.801 178.379 177.584 -0.011 0.000 1.270 354 A CA 0.455 52.486 52.037 -0.009 0.000 0.937 354 A CB -0.906 18.088 19.000 -0.009 0.000 1.096 354 A HN 0.877 nan 8.150 nan 0.000 0.534 355 E N 2.029 122.223 120.200 -0.011 0.000 1.954 355 E HA 0.108 4.457 4.350 -0.001 0.000 0.272 355 E C -0.058 176.532 176.600 -0.017 0.000 1.170 355 E CA 0.230 56.622 56.400 -0.013 0.000 1.101 355 E CB -0.451 29.242 29.700 -0.011 0.000 1.076 355 E HN 0.521 nan 8.360 nan 0.000 0.449 356 K N 2.067 122.456 120.400 -0.017 0.000 3.174 356 K HA 0.284 4.604 4.320 -0.001 0.000 0.207 356 K C -2.184 174.401 176.600 -0.025 0.000 1.190 356 K CA -1.422 54.853 56.287 -0.021 0.000 1.054 356 K CB 0.103 32.593 32.500 -0.017 0.000 1.154 356 K HN 0.252 nan 8.250 nan 0.000 0.495 357 P HA 0.097 nan 4.420 nan 0.000 0.267 357 P C -0.173 177.099 177.300 -0.047 0.000 1.200 357 P CA -0.108 62.972 63.100 -0.033 0.000 0.772 357 P CB 1.006 32.686 31.700 -0.034 0.000 0.855 358 G N 1.185 109.962 108.800 -0.038 0.000 2.807 358 G HA2 0.209 4.168 3.960 -0.001 0.000 0.316 358 G HA3 0.209 4.168 3.960 -0.001 0.000 0.316 358 G C 1.046 175.902 174.900 -0.074 0.000 0.900 358 G CA -0.363 44.711 45.100 -0.045 0.000 1.499 358 G HN 0.491 nan 8.290 nan 0.000 0.484 359 T N 1.402 115.861 114.554 -0.158 0.000 2.755 359 T HA -0.215 4.134 4.350 -0.001 0.000 0.266 359 T C 2.402 176.941 174.700 -0.268 0.000 1.041 359 T CA 2.396 64.299 62.100 -0.328 0.000 1.147 359 T CB -0.205 68.318 68.868 -0.575 0.000 0.847 359 T HN 1.498 nan 8.240 nan 0.000 0.478 360 G N 0.799 109.550 108.800 -0.082 0.000 2.417 360 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.233 360 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.233 360 G C 0.054 175.087 174.900 0.221 0.000 1.103 360 G CA 0.269 45.432 45.100 0.105 0.000 0.647 360 G HN 0.721 nan 8.290 nan 0.000 0.512 361 W N 0.889 122.257 121.300 0.114 0.000 2.883 361 W HA 0.694 5.353 4.660 -0.001 0.000 0.335 361 W C -1.189 175.440 176.519 0.184 0.000 1.083 361 W CA -1.538 55.901 57.345 0.157 0.000 1.233 361 W CB 0.880 30.400 29.460 0.100 0.000 1.412 361 W HN 0.073 nan 8.180 nan 0.000 0.490 362 D N 2.212 122.832 120.400 0.366 0.000 2.358 362 D HA 0.267 4.906 4.640 -0.001 0.000 0.258 362 D C 1.284 177.792 176.300 0.348 0.000 1.223 362 D CA 0.404 54.520 54.000 0.193 0.000 0.886 362 D CB 1.779 42.664 40.800 0.141 0.000 1.120 362 D HN 0.439 nan 8.370 nan 0.000 0.482 363 A N 4.214 127.106 122.820 0.119 0.000 2.019 363 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 363 A C 2.097 179.815 177.584 0.224 0.000 1.164 363 A CA 1.720 53.926 52.037 0.280 0.000 0.644 363 A CB -0.500 18.535 19.000 0.058 0.000 0.805 363 A HN 0.674 nan 8.150 nan 0.000 0.449 364 A N -0.713 122.171 122.820 0.106 0.000 1.969 364 A HA 0.073 4.392 4.320 -0.001 0.000 0.218 364 A C 2.093 179.667 177.584 -0.016 0.000 1.169 364 A CA 1.684 53.745 52.037 0.040 0.000 0.635 364 A CB -0.519 18.487 19.000 0.010 0.000 0.810 364 A HN 0.383 nan 8.150 nan 0.000 0.445 365 V N -2.231 117.660 119.914 -0.038 0.000 2.649 365 V HA -0.069 4.050 4.120 -0.001 0.000 0.248 365 V C 0.538 176.296 176.094 -0.561 0.000 1.054 365 V CA 0.892 63.004 62.300 -0.312 0.000 1.073 365 V CB -0.684 30.879 31.823 -0.432 0.000 0.699 365 V HN 0.623 nan 8.190 nan 0.000 0.463 366 Y N 0.669 120.881 120.300 -0.147 0.000 2.553 366 Y HA 0.354 4.903 4.550 -0.001 0.000 0.369 366 Y C -1.410 174.405 175.900 -0.142 0.000 0.964 366 Y CA -2.579 55.260 58.100 -0.434 0.000 1.156 366 Y CB 0.145 37.900 38.460 -1.175 0.000 1.218 366 Y HN 0.161 nan 8.280 nan 0.000 0.630 367 P HA -0.255 nan 4.420 nan 0.000 0.217 367 P C 1.313 178.692 177.300 0.131 0.000 1.148 367 P CA 1.564 64.729 63.100 0.108 0.000 0.834 367 P CB 0.469 32.194 31.700 0.043 0.000 0.783 368 R N -1.289 119.259 120.500 0.081 0.000 2.096 368 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 368 R C 2.386 178.847 176.300 0.267 0.000 1.127 368 R CA 1.553 57.743 56.100 0.150 0.000 0.968 368 R CB -0.569 29.823 30.300 0.153 0.000 0.861 368 R HN 0.311 nan 8.270 nan 0.000 0.440 369 W N 1.080 122.319 121.300 -0.101 0.000 2.388 369 W HA -0.096 4.563 4.660 -0.001 0.000 0.294 369 W C 2.306 178.826 176.519 0.001 0.000 1.212 369 W CA 0.386 57.533 57.345 -0.330 0.000 1.271 369 W CB -1.037 27.739 29.460 -1.141 0.000 1.126 369 W HN 0.146 nan 8.180 nan 0.000 0.535 370 Q N 1.004 121.115 119.800 0.518 0.000 2.061 370 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 370 Q C 1.836 178.018 176.000 0.303 0.000 0.984 370 Q CA 2.356 58.494 55.803 0.558 0.000 0.846 370 Q CB -0.375 28.616 28.738 0.421 0.000 0.902 370 Q HN 0.392 nan 8.270 nan 0.000 0.421 371 E N -0.054 120.276 120.200 0.218 0.000 2.000 371 E HA -0.214 4.136 4.350 -0.001 0.000 0.199 371 E C 1.998 178.673 176.600 0.124 0.000 1.011 371 E CA 1.091 57.577 56.400 0.143 0.000 0.836 371 E CB -0.519 29.248 29.700 0.112 0.000 0.778 371 E HN 0.466 nan 8.360 nan 0.000 0.462 372 A N 1.439 124.323 122.820 0.108 0.000 1.971 372 A HA -0.271 4.048 4.320 -0.001 0.000 0.222 372 A C 2.372 179.996 177.584 0.067 0.000 1.182 372 A CA 2.208 54.283 52.037 0.062 0.000 0.649 372 A CB -0.885 18.129 19.000 0.023 0.000 0.818 372 A HN 0.343 nan 8.150 nan 0.000 0.458 373 A N -0.739 122.156 122.820 0.124 0.000 2.066 373 A HA 0.337 4.656 4.320 -0.001 0.000 0.218 373 A C 2.176 179.835 177.584 0.126 0.000 1.157 373 A CA 1.402 53.528 52.037 0.147 0.000 0.670 373 A CB -0.694 18.480 19.000 0.290 0.000 0.804 373 A HN 1.169 nan 8.150 nan 0.000 0.453 374 A N -0.991 121.901 122.820 0.121 0.000 2.255 374 A HA 0.095 4.415 4.320 -0.001 0.000 0.206 374 A C 0.757 178.384 177.584 0.070 0.000 1.193 374 A CA 1.061 53.155 52.037 0.095 0.000 0.794 374 A CB -0.146 18.909 19.000 0.092 0.000 0.794 374 A HN 0.345 nan 8.150 nan 0.000 0.481 375 D N -0.708 119.730 120.400 0.062 0.000 2.621 375 D HA 0.172 4.812 4.640 -0.001 0.000 0.274 375 D C 0.883 177.202 176.300 0.032 0.000 1.215 375 D CA -0.376 53.651 54.000 0.045 0.000 0.810 375 D CB -0.032 40.787 40.800 0.032 0.000 1.248 375 D HN 0.237 nan 8.370 nan 0.000 0.517 376 R N 0.472 121.004 120.500 0.053 0.000 2.154 376 R HA -0.208 4.132 4.340 -0.001 0.000 0.248 376 R C 1.971 178.244 176.300 -0.045 0.000 1.155 376 R CA 1.869 57.998 56.100 0.047 0.000 0.979 376 R CB 0.069 30.444 30.300 0.125 0.000 0.869 376 R HN 0.329 nan 8.270 nan 0.000 0.452 377 A N 1.110 123.914 122.820 -0.027 0.000 1.832 377 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 377 A C 2.388 179.882 177.584 -0.151 0.000 1.200 377 A CA 1.566 53.519 52.037 -0.139 0.000 0.610 377 A CB -0.884 18.119 19.000 0.004 0.000 0.842 377 A HN 0.385 nan 8.150 nan 0.000 0.444 378 A N -0.227 122.551 122.820 -0.069 0.000 1.859 378 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 378 A C 2.167 179.707 177.584 -0.074 0.000 1.198 378 A CA 1.789 53.792 52.037 -0.058 0.000 0.629 378 A CB -0.880 18.104 19.000 -0.026 0.000 0.830 378 A HN 0.638 nan 8.150 nan 0.000 0.446 379 L N 0.135 121.318 121.223 -0.066 0.000 2.137 379 L HA -0.172 4.167 4.340 -0.001 0.000 0.213 379 L C 2.460 179.271 176.870 -0.098 0.000 1.085 379 L CA 2.777 57.573 54.840 -0.073 0.000 0.760 379 L CB -1.008 41.017 42.059 -0.057 0.000 0.893 379 L HN 0.493 nan 8.230 nan 0.000 0.434 380 S N -0.731 114.886 115.700 -0.138 0.000 2.387 380 S HA -0.045 4.425 4.470 -0.001 0.000 0.226 380 S C 2.090 176.606 174.600 -0.141 0.000 1.026 380 S CA 1.034 59.132 58.200 -0.170 0.000 0.972 380 S CB -0.038 62.962 63.200 -0.333 0.000 0.814 380 S HN 0.620 nan 8.310 nan 0.000 0.477 381 A N 0.987 123.724 122.820 -0.138 0.000 1.929 381 A HA 0.366 4.686 4.320 -0.001 0.000 0.216 381 A C 2.253 179.799 177.584 -0.064 0.000 1.176 381 A CA 1.440 53.423 52.037 -0.090 0.000 0.628 381 A CB -1.013 17.942 19.000 -0.076 0.000 0.816 381 A HN 0.709 nan 8.150 nan 0.000 0.444 382 A N -0.545 122.236 122.820 -0.065 0.000 2.206 382 A HA 0.155 4.474 4.320 -0.001 0.000 0.211 382 A C 1.730 179.279 177.584 -0.058 0.000 1.158 382 A CA 1.805 53.810 52.037 -0.054 0.000 0.761 382 A CB -0.632 18.337 19.000 -0.052 0.000 0.801 382 A HN 0.794 nan 8.150 nan 0.000 0.473 383 T N -5.961 108.553 114.554 -0.066 0.000 3.209 383 T HA 0.434 4.783 4.350 -0.001 0.000 0.295 383 T C 0.977 175.647 174.700 -0.051 0.000 0.977 383 T CA 0.858 62.920 62.100 -0.063 0.000 0.922 383 T CB -0.079 68.740 68.868 -0.081 0.000 1.152 383 T HN 1.627 nan 8.240 nan 0.000 0.527 384 G N 0.760 109.533 108.800 -0.046 0.000 2.272 384 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.280 384 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.280 384 G C 0.827 175.713 174.900 -0.022 0.000 1.067 384 G CA -0.088 44.994 45.100 -0.029 0.000 0.902 384 G HN 1.060 nan 8.290 nan 0.000 0.500 385 G N -0.614 108.167 108.800 -0.033 0.000 3.088 385 G HA2 0.531 4.490 3.960 -0.001 0.000 0.212 385 G HA3 0.531 4.490 3.960 -0.001 0.000 0.212 385 G C 1.689 176.615 174.900 0.043 0.000 1.173 385 G CA 1.378 46.474 45.100 -0.007 0.000 0.779 385 G HN 1.933 nan 8.290 nan 0.000 0.540 386 G N 0.473 109.297 108.800 0.041 0.000 2.660 386 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.321 386 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.321 386 G C 1.194 176.216 174.900 0.204 0.000 1.246 386 G CA 1.005 46.158 45.100 0.089 0.000 1.000 386 G HN 1.347 nan 8.290 nan 0.000 0.550 387 A N -1.055 121.879 122.820 0.190 0.000 2.535 387 A HA 0.664 4.983 4.320 -0.001 0.000 0.273 387 A C 2.009 179.644 177.584 0.084 0.000 1.267 387 A CA 1.253 53.401 52.037 0.186 0.000 0.940 387 A CB 0.327 19.395 19.000 0.113 0.000 1.101 387 A HN 1.230 nan 8.150 nan 0.000 0.521 388 V N 1.184 121.201 119.914 0.171 0.000 2.332 388 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 388 V C 2.686 178.829 176.094 0.083 0.000 1.055 388 V CA 2.256 64.611 62.300 0.092 0.000 1.038 388 V CB -1.089 30.781 31.823 0.078 0.000 0.651 388 V HN 0.923 nan 8.190 nan 0.000 0.450 389 H N 0.651 119.731 119.070 0.017 0.000 2.460 389 H HA -0.202 4.353 4.556 -0.001 0.000 0.297 389 H C 1.893 177.239 175.328 0.030 0.000 1.103 389 H CA 1.810 57.871 56.048 0.022 0.000 1.292 389 H CB -0.674 29.101 29.762 0.021 0.000 1.376 389 H HN 0.530 nan 8.280 nan 0.000 0.531 390 E N 0.778 120.649 120.200 -0.548 0.000 2.265 390 E HA -0.055 4.294 4.350 -0.001 0.000 0.196 390 E C 2.387 178.921 176.600 -0.110 0.000 0.996 390 E CA 0.852 57.048 56.400 -0.341 0.000 0.832 390 E CB 0.006 29.538 29.700 -0.281 0.000 0.756 390 E HN 0.650 nan 8.360 nan 0.000 0.491 391 A N 1.097 123.877 122.820 -0.067 0.000 1.898 391 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 391 A C 2.331 179.911 177.584 -0.007 0.000 1.181 391 A CA 1.426 53.450 52.037 -0.022 0.000 0.620 391 A CB -0.409 18.582 19.000 -0.015 0.000 0.819 391 A HN 0.296 nan 8.150 nan 0.000 0.442 392 A N -0.281 122.541 122.820 0.004 0.000 2.015 392 A HA 0.262 4.581 4.320 -0.001 0.000 0.219 392 A C 2.390 179.984 177.584 0.016 0.000 1.163 392 A CA 1.690 53.738 52.037 0.019 0.000 0.646 392 A CB -0.747 18.278 19.000 0.042 0.000 0.806 392 A HN 0.922 nan 8.150 nan 0.000 0.448 393 A N 0.056 122.878 122.820 0.004 0.000 1.898 393 A HA 0.195 4.514 4.320 -0.001 0.000 0.216 393 A C 2.480 180.071 177.584 0.011 0.000 1.181 393 A CA 1.846 53.887 52.037 0.007 0.000 0.620 393 A CB -0.972 18.020 19.000 -0.014 0.000 0.819 393 A HN 1.009 nan 8.150 nan 0.000 0.442 394 A N -0.212 122.614 122.820 0.010 0.000 1.972 394 A HA 0.187 4.506 4.320 -0.001 0.000 0.219 394 A C 2.296 179.890 177.584 0.018 0.000 1.169 394 A CA 1.843 53.893 52.037 0.021 0.000 0.635 394 A CB -0.786 18.232 19.000 0.029 0.000 0.810 394 A HN 1.098 nan 8.150 nan 0.000 0.446 395 A N -0.827 122.000 122.820 0.012 0.000 2.235 395 A HA 0.448 4.768 4.320 -0.001 0.000 0.208 395 A C 2.028 179.619 177.584 0.012 0.000 1.172 395 A CA 1.154 53.197 52.037 0.010 0.000 0.786 395 A CB -0.550 18.454 19.000 0.007 0.000 0.804 395 A HN 0.891 nan 8.150 nan 0.000 0.479 396 A N -0.091 122.738 122.820 0.015 0.000 2.123 396 A HA 0.063 4.383 4.320 -0.001 0.000 0.214 396 A C 1.803 179.396 177.584 0.015 0.000 1.152 396 A CA 0.297 52.344 52.037 0.017 0.000 0.728 396 A CB -0.192 18.820 19.000 0.020 0.000 0.814 396 A HN 0.472 nan 8.150 nan 0.000 0.464 397 R N 0.070 120.580 120.500 0.016 0.000 2.363 397 R HA 0.029 4.368 4.340 -0.001 0.000 0.236 397 R C 0.872 177.180 176.300 0.013 0.000 0.966 397 R CA 0.310 56.420 56.100 0.016 0.000 1.100 397 R CB -0.082 30.230 30.300 0.019 0.000 1.125 397 R HN 0.484 nan 8.270 nan 0.000 0.514 398 D N 2.122 122.529 120.400 0.011 0.000 2.127 398 D HA -0.229 4.411 4.640 -0.001 0.000 0.190 398 D C 1.415 177.720 176.300 0.008 0.000 1.000 398 D CA 1.666 55.672 54.000 0.008 0.000 0.839 398 D CB 0.415 41.219 40.800 0.006 0.000 0.955 398 D HN 0.101 nan 8.370 nan 0.000 0.446 399 E N 0.254 120.459 120.200 0.008 0.000 2.046 399 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 399 E C 2.060 178.665 176.600 0.008 0.000 0.982 399 E CA 0.443 56.847 56.400 0.007 0.000 0.800 399 E CB -0.692 29.012 29.700 0.007 0.000 0.756 399 E HN 0.435 nan 8.360 nan 0.000 0.449 400 N N 1.299 120.005 118.700 0.010 0.000 2.091 400 N HA -0.127 4.613 4.740 -0.001 0.000 0.193 400 N C 0.736 176.253 175.510 0.011 0.000 1.021 400 N CA 1.263 54.319 53.050 0.011 0.000 0.862 400 N CB -0.025 38.469 38.487 0.012 0.000 1.018 400 N HN 0.287 nan 8.380 nan 0.000 0.429 401 D N -1.382 119.025 120.400 0.012 0.000 2.568 401 D HA 0.467 5.106 4.640 -0.001 0.000 0.219 401 D C 0.829 177.135 176.300 0.010 0.000 1.239 401 D CA -0.361 53.647 54.000 0.013 0.000 1.096 401 D CB 0.043 40.853 40.800 0.018 0.000 1.198 401 D HN 0.113 nan 8.370 nan 0.000 0.620 402 G N -0.343 108.463 108.800 0.010 0.000 3.262 402 G HA2 0.562 4.522 3.960 -0.001 0.000 0.229 402 G HA3 0.562 4.522 3.960 -0.001 0.000 0.229 402 G C -2.592 172.310 174.900 0.005 0.000 1.280 402 G CA -0.758 44.346 45.100 0.007 0.000 0.951 402 G HN 0.237 nan 8.290 nan 0.000 0.589 403 P HA 0.357 nan 4.420 nan 0.000 0.276 403 P C -0.498 176.799 177.300 -0.005 0.000 1.244 403 P CA -0.279 62.819 63.100 -0.002 0.000 0.801 403 P CB 1.571 33.268 31.700 -0.005 0.000 1.006 404 I N 3.122 123.686 120.570 -0.009 0.000 2.421 404 I HA 0.113 4.282 4.170 -0.001 0.000 0.291 404 I C 1.809 177.911 176.117 -0.025 0.000 1.089 404 I CA -0.072 61.218 61.300 -0.016 0.000 1.354 404 I CB 0.356 38.344 38.000 -0.020 0.000 1.413 404 I HN 0.274 nan 8.210 nan 0.000 0.513 405 R N 3.171 123.655 120.500 -0.027 0.000 2.223 405 R HA 0.155 4.494 4.340 -0.001 0.000 0.198 405 R C -0.068 176.204 176.300 -0.047 0.000 0.984 405 R CA 0.584 56.666 56.100 -0.030 0.000 1.018 405 R CB 0.235 30.522 30.300 -0.022 0.000 0.945 405 R HN 0.542 nan 8.270 nan 0.000 0.479 406 T N -0.007 114.507 114.554 -0.066 0.000 2.894 406 T HA 0.437 4.786 4.350 -0.001 0.000 0.309 406 T C -1.236 173.377 174.700 -0.144 0.000 1.208 406 T CA -0.565 61.476 62.100 -0.099 0.000 1.016 406 T CB 3.025 71.827 68.868 -0.109 0.000 1.192 406 T HN -0.274 nan 8.240 nan 0.000 0.491 407 V N 2.184 122.001 119.914 -0.162 0.000 2.567 407 V HA 0.437 4.557 4.120 -0.001 0.000 0.298 407 V C -0.537 175.422 176.094 -0.224 0.000 1.047 407 V CA -0.756 61.428 62.300 -0.194 0.000 0.880 407 V CB 1.926 33.674 31.823 -0.125 0.000 1.009 407 V HN 0.783 nan 8.190 nan 0.000 0.429 408 V N 6.027 125.741 119.914 -0.334 0.000 2.439 408 V HA 0.433 4.552 4.120 -0.001 0.000 0.282 408 V C -0.025 175.943 176.094 -0.210 0.000 1.039 408 V CA -0.473 61.658 62.300 -0.282 0.000 0.913 408 V CB 1.824 33.419 31.823 -0.381 0.000 0.983 408 V HN 0.648 nan 8.190 nan 0.000 0.460 409 L N 5.332 126.449 121.223 -0.175 0.000 2.283 409 L HA 0.442 4.781 4.340 -0.001 0.000 0.281 409 L C -0.001 176.736 176.870 -0.222 0.000 1.033 409 L CA -0.182 54.549 54.840 -0.183 0.000 0.848 409 L CB 0.845 42.825 42.059 -0.132 0.000 1.226 409 L HN 0.688 nan 8.230 nan 0.000 0.429 410 N N 4.989 123.457 118.700 -0.386 0.000 2.434 410 N HA 0.250 4.989 4.740 -0.001 0.000 0.272 410 N C 0.095 175.433 175.510 -0.286 0.000 1.040 410 N CA -0.287 52.505 53.050 -0.430 0.000 0.956 410 N CB 1.537 39.451 38.487 -0.954 0.000 1.108 410 N HN 0.636 nan 8.380 nan 0.000 0.481 411 L N 2.810 123.943 121.223 -0.150 0.000 2.906 411 L HA 0.274 4.613 4.340 -0.001 0.000 0.255 411 L C 2.050 178.898 176.870 -0.037 0.000 1.166 411 L CA -0.193 54.596 54.840 -0.084 0.000 0.977 411 L CB 0.039 42.059 42.059 -0.064 0.000 1.313 411 L HN 0.505 nan 8.230 nan 0.000 0.549 412 A N 0.989 123.795 122.820 -0.024 0.000 1.903 412 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 412 A C 2.207 179.810 177.584 0.032 0.000 1.191 412 A CA 1.593 53.640 52.037 0.017 0.000 0.638 412 A CB -0.333 18.695 19.000 0.047 0.000 0.823 412 A HN 0.314 nan 8.150 nan 0.000 0.451 413 R N -0.468 120.063 120.500 0.051 0.000 2.323 413 R HA 0.100 4.439 4.340 -0.001 0.000 0.198 413 R C -0.170 176.150 176.300 0.035 0.000 0.988 413 R CA 0.082 56.217 56.100 0.057 0.000 1.041 413 R CB -0.688 29.668 30.300 0.094 0.000 0.926 413 R HN 0.374 nan 8.270 nan 0.000 0.476 414 V N 2.056 121.979 119.914 0.016 0.000 2.498 414 V HA 0.018 4.137 4.120 -0.001 0.000 0.279 414 V C 1.024 177.124 176.094 0.010 0.000 1.048 414 V CA -0.092 62.212 62.300 0.008 0.000 0.967 414 V CB 1.616 33.434 31.823 -0.008 0.000 0.988 414 V HN 0.099 nan 8.190 nan 0.000 0.473 415 D N 3.458 123.866 120.400 0.013 0.000 2.162 415 D HA 0.113 4.753 4.640 -0.001 0.000 0.205 415 D C 0.896 177.202 176.300 0.011 0.000 0.964 415 D CA 0.949 54.958 54.000 0.014 0.000 0.847 415 D CB 0.568 41.378 40.800 0.017 0.000 0.988 415 D HN 0.474 nan 8.370 nan 0.000 0.480 416 R N -0.789 119.716 120.500 0.009 0.000 2.752 416 R HA 0.656 4.996 4.340 -0.001 0.000 0.271 416 R C -1.207 175.097 176.300 0.006 0.000 1.026 416 R CA -0.625 55.481 56.100 0.009 0.000 0.901 416 R CB 2.368 32.676 30.300 0.013 0.000 1.243 416 R HN -0.145 nan 8.270 nan 0.000 0.463 417 I N 1.618 122.192 120.570 0.006 0.000 2.649 417 I HA 0.163 4.333 4.170 -0.001 0.000 0.289 417 I C -0.879 175.244 176.117 0.010 0.000 1.222 417 I CA -0.960 60.343 61.300 0.005 0.000 1.046 417 I CB 2.112 40.109 38.000 -0.003 0.000 1.272 417 I HN 0.671 nan 8.210 nan 0.000 0.425 418 D N 3.937 124.347 120.400 0.017 0.000 2.447 418 D HA 0.124 4.764 4.640 -0.001 0.000 0.265 418 D C 0.496 176.807 176.300 0.017 0.000 1.250 418 D CA -0.214 53.798 54.000 0.019 0.000 1.046 418 D CB 0.838 41.655 40.800 0.028 0.000 1.095 418 D HN 0.386 nan 8.370 nan 0.000 0.555 419 D N -0.536 119.874 120.400 0.016 0.000 2.097 419 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 419 D C 2.174 178.487 176.300 0.022 0.000 0.989 419 D CA 0.997 55.005 54.000 0.013 0.000 0.827 419 D CB -0.355 40.450 40.800 0.008 0.000 0.966 419 D HN 0.200 nan 8.370 nan 0.000 0.456 420 V N 1.422 121.358 119.914 0.036 0.000 2.282 420 V HA -0.234 3.886 4.120 -0.001 0.000 0.249 420 V C 2.594 178.723 176.094 0.058 0.000 1.057 420 V CA 2.223 64.560 62.300 0.063 0.000 1.032 420 V CB -1.059 30.826 31.823 0.103 0.000 0.645 420 V HN 0.274 nan 8.190 nan 0.000 0.447 421 G N -1.016 107.810 108.800 0.043 0.000 2.408 421 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 421 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 421 G C 1.754 176.653 174.900 -0.002 0.000 1.150 421 G CA 0.536 45.644 45.100 0.014 0.000 0.776 421 G HN 0.404 nan 8.290 nan 0.000 0.542 422 R N -0.002 120.499 120.500 0.003 0.000 2.070 422 R HA 0.005 4.344 4.340 -0.001 0.000 0.233 422 R C 2.858 179.155 176.300 -0.005 0.000 1.137 422 R CA 1.260 57.356 56.100 -0.005 0.000 0.945 422 R CB -0.256 30.043 30.300 -0.003 0.000 0.845 422 R HN 0.255 nan 8.270 nan 0.000 0.430 423 R N 0.420 120.922 120.500 0.003 0.000 2.081 423 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 423 R C 2.384 178.685 176.300 0.002 0.000 1.131 423 R CA 1.240 57.343 56.100 0.004 0.000 0.960 423 R CB -0.386 29.922 30.300 0.014 0.000 0.856 423 R HN 0.215 nan 8.270 nan 0.000 0.436 424 L N 0.310 121.536 121.223 0.004 0.000 1.994 424 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 424 L C 2.388 179.242 176.870 -0.027 0.000 1.071 424 L CA 1.403 56.238 54.840 -0.008 0.000 0.745 424 L CB -0.382 41.665 42.059 -0.020 0.000 0.892 424 L HN 0.181 nan 8.230 nan 0.000 0.431 425 I N -0.340 120.210 120.570 -0.034 0.000 2.394 425 I HA -0.235 3.934 4.170 -0.001 0.000 0.251 425 I C 2.768 178.864 176.117 -0.035 0.000 1.136 425 I CA 0.898 62.173 61.300 -0.042 0.000 1.425 425 I CB -0.450 37.522 38.000 -0.046 0.000 1.079 425 I HN 0.198 nan 8.210 nan 0.000 0.425 426 A N 0.801 123.605 122.820 -0.027 0.000 1.858 426 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 426 A C 2.233 179.804 177.584 -0.022 0.000 1.190 426 A CA 2.042 54.065 52.037 -0.024 0.000 0.617 426 A CB -0.578 18.412 19.000 -0.017 0.000 0.827 426 A HN 0.390 nan 8.150 nan 0.000 0.443 427 E N 0.242 120.432 120.200 -0.017 0.000 2.265 427 E HA -0.042 4.307 4.350 -0.001 0.000 0.196 427 E C 1.796 178.384 176.600 -0.020 0.000 0.996 427 E CA 1.402 57.793 56.400 -0.015 0.000 0.832 427 E CB -0.690 29.005 29.700 -0.008 0.000 0.756 427 E HN 0.433 nan 8.360 nan 0.000 0.491 428 G N -0.262 108.522 108.800 -0.027 0.000 2.394 428 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.214 428 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.214 428 G C 1.671 176.551 174.900 -0.035 0.000 1.176 428 G CA 0.790 45.870 45.100 -0.033 0.000 0.786 428 G HN 0.242 nan 8.290 nan 0.000 0.533 429 V N 1.122 121.014 119.914 -0.037 0.000 2.295 429 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 429 V C 2.776 178.851 176.094 -0.033 0.000 1.049 429 V CA 2.054 64.331 62.300 -0.040 0.000 1.024 429 V CB -0.541 31.257 31.823 -0.042 0.000 0.648 429 V HN 0.396 nan 8.190 nan 0.000 0.447 430 R N 0.438 120.922 120.500 -0.027 0.000 2.117 430 R HA -0.206 4.134 4.340 -0.001 0.000 0.243 430 R C 2.401 178.689 176.300 -0.022 0.000 1.143 430 R CA 1.896 57.983 56.100 -0.023 0.000 0.968 430 R CB -0.204 30.086 30.300 -0.018 0.000 0.863 430 R HN 0.461 nan 8.270 nan 0.000 0.444 431 R N -0.001 120.486 120.500 -0.022 0.000 2.193 431 R HA 0.025 4.365 4.340 -0.001 0.000 0.213 431 R C 2.318 178.604 176.300 -0.023 0.000 1.055 431 R CA 0.518 56.606 56.100 -0.020 0.000 0.995 431 R CB -0.049 30.240 30.300 -0.018 0.000 0.893 431 R HN 0.289 nan 8.270 nan 0.000 0.459 432 L N 0.756 121.961 121.223 -0.029 0.000 2.023 432 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 432 L C 2.325 179.177 176.870 -0.031 0.000 1.073 432 L CA 1.414 56.235 54.840 -0.032 0.000 0.745 432 L CB -0.274 41.760 42.059 -0.041 0.000 0.900 432 L HN 0.218 nan 8.230 nan 0.000 0.435 433 Q N -0.239 119.542 119.800 -0.031 0.000 2.152 433 Q HA -0.239 4.101 4.340 -0.001 0.000 0.206 433 Q C 2.201 178.187 176.000 -0.023 0.000 0.985 433 Q CA 1.644 57.430 55.803 -0.029 0.000 0.863 433 Q CB -0.388 28.333 28.738 -0.027 0.000 0.904 433 Q HN 0.551 nan 8.270 nan 0.000 0.422 434 A N 1.375 124.182 122.820 -0.021 0.000 2.131 434 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 434 A C 1.199 178.774 177.584 -0.016 0.000 1.158 434 A CA 1.400 53.426 52.037 -0.017 0.000 0.665 434 A CB -0.118 18.873 19.000 -0.015 0.000 0.795 434 A HN 0.223 nan 8.150 nan 0.000 0.460 435 D N -1.012 119.376 120.400 -0.019 0.000 2.325 435 D HA 0.263 4.903 4.640 -0.001 0.000 0.225 435 D C 1.205 177.494 176.300 -0.019 0.000 1.096 435 D CA 0.881 54.870 54.000 -0.018 0.000 0.844 435 D CB -0.011 40.777 40.800 -0.020 0.000 0.925 435 D HN 0.541 nan 8.370 nan 0.000 0.513 436 G N 0.825 109.613 108.800 -0.020 0.000 2.176 436 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.252 436 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.252 436 G C 0.265 175.150 174.900 -0.024 0.000 1.024 436 G CA 0.144 45.232 45.100 -0.020 0.000 0.755 436 G HN 0.271 nan 8.290 nan 0.000 0.507 437 V N 0.431 120.327 119.914 -0.029 0.000 2.483 437 V HA 0.520 4.639 4.120 -0.001 0.000 0.295 437 V C 1.002 177.070 176.094 -0.043 0.000 1.035 437 V CA -0.968 61.310 62.300 -0.037 0.000 0.896 437 V CB 1.734 33.532 31.823 -0.042 0.000 0.986 437 V HN 0.473 nan 8.190 nan 0.000 0.447 438 R N 3.058 123.529 120.500 -0.048 0.000 2.389 438 R HA 0.540 4.879 4.340 -0.001 0.000 0.295 438 R C -1.413 174.846 176.300 -0.069 0.000 1.075 438 R CA -0.165 55.903 56.100 -0.052 0.000 1.005 438 R CB 1.037 31.307 30.300 -0.050 0.000 0.987 438 R HN 0.548 nan 8.270 nan 0.000 0.452 439 V N 5.511 125.386 119.914 -0.065 0.000 2.443 439 V HA 0.197 4.316 4.120 -0.001 0.000 0.293 439 V C -0.766 175.283 176.094 -0.075 0.000 1.021 439 V CA -0.757 61.496 62.300 -0.078 0.000 0.848 439 V CB 1.589 33.371 31.823 -0.068 0.000 0.998 439 V HN 0.859 nan 8.190 nan 0.000 0.424 440 E N 4.423 124.568 120.200 -0.092 0.000 2.158 440 E HA 0.645 4.994 4.350 -0.001 0.000 0.271 440 E C -1.177 175.372 176.600 -0.084 0.000 0.911 440 E CA -0.859 55.494 56.400 -0.077 0.000 0.767 440 E CB 2.344 32.001 29.700 -0.072 0.000 1.120 440 E HN 0.311 nan 8.360 nan 0.000 0.405 441 V N 3.667 123.541 119.914 -0.067 0.000 2.368 441 V HA 0.060 4.179 4.120 -0.001 0.000 0.266 441 V C 0.045 176.103 176.094 -0.060 0.000 1.045 441 V CA -0.456 61.803 62.300 -0.070 0.000 0.899 441 V CB 0.377 32.166 31.823 -0.056 0.000 1.006 441 V HN 0.692 nan 8.190 nan 0.000 0.470 442 E N 4.174 124.330 120.200 -0.074 0.000 2.001 442 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 442 E C -0.617 175.950 176.600 -0.054 0.000 1.045 442 E CA -0.186 56.182 56.400 -0.054 0.000 0.833 442 E CB 0.912 30.579 29.700 -0.054 0.000 1.077 442 E HN 0.557 nan 8.360 nan 0.000 0.397 443 D N 5.125 125.504 120.400 -0.035 0.000 2.400 443 D HA 0.110 4.749 4.640 -0.001 0.000 0.272 443 D C -1.442 174.849 176.300 -0.015 0.000 1.220 443 D CA -2.019 51.964 54.000 -0.029 0.000 0.897 443 D CB 1.116 41.899 40.800 -0.030 0.000 1.134 443 D HN 0.188 nan 8.370 nan 0.000 0.507 444 P HA -0.136 nan 4.420 nan 0.000 0.212 444 P C 0.048 177.348 177.300 -0.001 0.000 1.178 444 P CA 1.017 64.117 63.100 -0.000 0.000 0.915 444 P CB 0.333 32.037 31.700 0.007 0.000 0.788 445 E N 0.928 121.128 120.200 -0.000 0.000 2.392 445 E HA 0.125 4.474 4.350 -0.001 0.000 0.307 445 E C -0.326 176.272 176.600 -0.003 0.000 1.505 445 E CA -0.384 56.016 56.400 -0.000 0.000 1.716 445 E CB -0.522 29.180 29.700 0.003 0.000 1.450 445 E HN 0.236 nan 8.360 nan 0.000 0.484 446 R N 1.178 121.674 120.500 -0.006 0.000 2.902 446 R HA -0.212 4.128 4.340 -0.001 0.000 0.154 446 R C 0.648 176.944 176.300 -0.007 0.000 0.422 446 R CA 0.204 56.299 56.100 -0.008 0.000 0.570 446 R CB -1.062 29.234 30.300 -0.007 0.000 1.534 446 R HN 0.521 nan 8.270 nan 0.000 0.500 447 I N 0.830 121.394 120.570 -0.010 0.000 2.556 447 I HA -0.052 4.118 4.170 -0.001 0.000 0.251 447 I C 1.535 177.646 176.117 -0.010 0.000 1.105 447 I CA 0.353 61.648 61.300 -0.008 0.000 1.436 447 I CB 0.066 38.061 38.000 -0.008 0.000 1.139 447 I HN 0.338 nan 8.210 nan 0.000 0.438 448 L N 0.000 121.214 121.223 -0.015 0.000 2.949 448 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 448 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 448 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 448 L HN 0.000 nan 8.230 nan 0.000 0.502