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 1vz8_1_A DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEXL DATA SEQUENCE IASTGVIGRQ YPXESIREHL KTLEWPAGEG GFDRAARAIX TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGXLEP DXATLLTFFA TDARLDPAEQ DRLFRRVXDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE XAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.818 174.700 0.197 0.000 1.109 8 T CA 0.000 62.201 62.100 0.169 0.000 1.349 8 T CB 0.000 68.926 68.868 0.097 0.000 0.612 9 P HA 0.456 nan 4.420 nan 0.000 0.275 9 P C -0.502 177.019 177.300 0.367 0.000 1.227 9 P CA -0.295 62.996 63.100 0.317 0.000 0.781 9 P CB 0.807 32.741 31.700 0.389 0.000 0.906 10 R N 1.287 121.916 120.500 0.216 0.000 2.537 10 R HA 0.337 4.677 4.340 0.001 0.000 0.280 10 R C 1.575 177.848 176.300 -0.046 0.000 1.058 10 R CA 0.874 57.033 56.100 0.097 0.000 1.057 10 R CB -0.754 29.571 30.300 0.042 0.000 0.973 10 R HN 0.937 nan 8.270 nan 0.000 0.438 11 G N 1.594 110.327 108.800 -0.111 0.000 2.213 11 G HA2 -0.257 3.703 3.960 0.001 0.000 0.236 11 G HA3 -0.257 3.703 3.960 0.001 0.000 0.236 11 G C -0.279 174.372 174.900 -0.416 0.000 0.991 11 G CA -0.392 44.517 45.100 -0.318 0.000 0.629 11 G HN 0.429 nan 8.290 nan 0.000 0.517 12 F N 1.121 121.147 119.950 0.127 0.000 2.420 12 F HA 0.663 5.190 4.527 0.000 0.000 0.342 12 F C 0.671 176.490 175.800 0.031 0.000 1.113 12 F CA -0.688 57.386 58.000 0.123 0.000 1.059 12 F CB 1.996 41.188 39.000 0.320 0.000 1.128 12 F HN 0.357 nan 8.300 nan 0.000 0.475 13 V N 0.978 120.975 119.914 0.139 0.000 2.914 13 V HA 0.914 5.035 4.120 0.001 0.000 0.314 13 V C -1.073 174.967 176.094 -0.089 0.000 1.084 13 V CA -0.973 61.351 62.300 0.041 0.000 0.963 13 V CB 1.664 33.577 31.823 0.151 0.000 1.025 13 V HN 0.462 nan 8.190 nan 0.000 0.432 14 V N 2.570 122.401 119.914 -0.139 0.000 2.735 14 V HA 0.580 4.700 4.120 0.001 0.000 0.310 14 V C -0.996 175.076 176.094 -0.035 0.000 1.061 14 V CA -0.423 61.771 62.300 -0.177 0.000 0.913 14 V CB 1.691 33.324 31.823 -0.317 0.000 1.005 14 V HN 1.208 nan 8.190 nan 0.000 0.428 15 H N 2.312 121.306 119.070 -0.126 0.000 2.589 15 H HA 0.721 5.277 4.556 0.001 0.000 0.335 15 H C -0.434 174.878 175.328 -0.027 0.000 1.019 15 H CA -0.086 55.933 56.048 -0.048 0.000 1.213 15 H CB 1.639 31.387 29.762 -0.024 0.000 1.472 15 H HN 0.808 nan 8.280 nan 0.000 0.508 16 T N 2.679 116.958 114.554 -0.458 0.000 2.881 16 T HA 0.856 5.207 4.350 0.001 0.000 0.290 16 T C -0.756 173.707 174.700 -0.394 0.000 1.000 16 T CA -0.538 61.356 62.100 -0.343 0.000 0.978 16 T CB 1.520 70.278 68.868 -0.183 0.000 0.997 16 T HN 0.798 nan 8.240 nan 0.000 0.443 17 A N 3.854 126.497 122.820 -0.294 0.000 2.574 17 A HA 0.883 5.203 4.320 0.001 0.000 0.297 17 A C -3.164 174.270 177.584 -0.249 0.000 1.062 17 A CA -1.828 50.022 52.037 -0.311 0.000 0.686 17 A CB 1.628 20.316 19.000 -0.521 0.000 1.285 17 A HN 0.658 nan 8.150 nan 0.000 0.403 18 P HA 0.317 nan 4.420 nan 0.000 0.281 18 P C -0.107 177.062 177.300 -0.218 0.000 1.252 18 P CA 0.085 63.091 63.100 -0.157 0.000 0.778 18 P CB 1.458 33.093 31.700 -0.109 0.000 0.895 19 V N 1.958 121.770 119.914 -0.170 0.000 3.398 19 V HA 0.285 4.405 4.120 0.001 0.000 0.298 19 V C 1.373 177.401 176.094 -0.110 0.000 1.496 19 V CA 0.425 62.609 62.300 -0.193 0.000 1.044 19 V CB -0.139 31.530 31.823 -0.258 0.000 0.880 19 V HN 0.877 nan 8.190 nan 0.000 0.443 20 G N 1.436 110.191 108.800 -0.077 0.000 2.289 20 G HA2 -0.240 3.721 3.960 0.001 0.000 0.280 20 G HA3 -0.240 3.721 3.960 0.001 0.000 0.280 20 G C 0.383 175.266 174.900 -0.028 0.000 1.089 20 G CA 0.448 45.521 45.100 -0.046 0.000 0.939 20 G HN 0.478 nan 8.290 nan 0.000 0.499 21 L N -0.564 120.645 121.223 -0.023 0.000 2.645 21 L HA 0.514 4.854 4.340 0.001 0.000 0.235 21 L C 1.344 178.223 176.870 0.015 0.000 1.150 21 L CA 0.931 55.771 54.840 0.001 0.000 0.911 21 L CB -0.210 41.848 42.059 -0.001 0.000 1.077 21 L HN 0.833 nan 8.230 nan 0.000 0.438 22 A N -1.655 121.166 122.820 0.002 0.000 2.599 22 A HA 0.482 4.803 4.320 0.001 0.000 0.294 22 A C -0.845 176.735 177.584 -0.006 0.000 1.055 22 A CA -0.123 51.916 52.037 0.003 0.000 0.683 22 A CB 0.415 19.417 19.000 0.003 0.000 1.278 22 A HN 0.035 nan 8.150 nan 0.000 0.412 23 D N 1.223 121.620 120.400 -0.004 0.000 2.558 23 D HA 0.447 5.087 4.640 0.001 0.000 0.221 23 D C 0.092 176.386 176.300 -0.010 0.000 1.143 23 D CA 0.358 54.353 54.000 -0.008 0.000 1.010 23 D CB -0.092 40.705 40.800 -0.005 0.000 1.068 23 D HN 0.665 nan 8.370 nan 0.000 0.511 24 D N -1.053 119.338 120.400 -0.015 0.000 2.412 24 D HA 0.142 4.783 4.640 0.001 0.000 0.326 24 D C 1.433 177.721 176.300 -0.020 0.000 1.209 24 D CA 0.823 54.814 54.000 -0.015 0.000 0.876 24 D CB -0.421 40.372 40.800 -0.012 0.000 1.344 24 D HN 1.117 nan 8.370 nan 0.000 0.503 25 G N 1.482 110.266 108.800 -0.027 0.000 2.155 25 G HA2 -0.312 3.648 3.960 0.001 0.000 0.257 25 G HA3 -0.312 3.648 3.960 0.001 0.000 0.257 25 G C 0.289 175.166 174.900 -0.037 0.000 0.983 25 G CA 0.432 45.511 45.100 -0.034 0.000 0.676 25 G HN 0.544 nan 8.290 nan 0.000 0.528 26 R N 0.752 121.232 120.500 -0.033 0.000 2.528 26 R HA 0.348 4.688 4.340 0.001 0.000 0.271 26 R C -0.571 175.703 176.300 -0.044 0.000 1.056 26 R CA -0.521 55.560 56.100 -0.032 0.000 1.117 26 R CB 0.281 30.568 30.300 -0.022 0.000 1.085 26 R HN 0.109 nan 8.270 nan 0.000 0.530 27 D N 1.525 121.895 120.400 -0.049 0.000 2.425 27 D HA 0.023 4.663 4.640 0.001 0.000 0.247 27 D C 0.389 176.663 176.300 -0.043 0.000 1.147 27 D CA 0.606 54.568 54.000 -0.063 0.000 0.879 27 D CB 0.884 41.641 40.800 -0.072 0.000 1.179 27 D HN 0.511 nan 8.370 nan 0.000 0.456 28 D N 1.013 121.393 120.400 -0.033 0.000 2.480 28 D HA -0.026 4.614 4.640 0.001 0.000 0.276 28 D C -0.185 176.126 176.300 0.018 0.000 1.294 28 D CA -0.343 53.650 54.000 -0.011 0.000 0.829 28 D CB -0.544 40.251 40.800 -0.008 0.000 1.242 28 D HN 0.232 nan 8.370 nan 0.000 0.513 29 F N 2.040 121.895 119.950 -0.158 0.000 2.402 29 F HA 0.580 5.108 4.527 0.000 0.000 0.355 29 F C -0.950 174.767 175.800 -0.139 0.000 1.123 29 F CA 0.050 57.960 58.000 -0.149 0.000 1.021 29 F CB 1.985 40.872 39.000 -0.188 0.000 1.160 29 F HN -0.333 nan 8.300 nan 0.000 0.451 30 T N 5.590 119.827 114.554 -0.528 0.000 2.861 30 T HA 0.639 4.989 4.350 0.001 0.000 0.287 30 T C -1.346 173.062 174.700 -0.487 0.000 1.003 30 T CA -0.598 61.270 62.100 -0.388 0.000 0.977 30 T CB 1.850 70.563 68.868 -0.259 0.000 0.996 30 T HN 0.305 nan 8.240 nan 0.000 0.448 31 V N 4.124 123.869 119.914 -0.282 0.000 2.482 31 V HA 0.540 4.660 4.120 0.001 0.000 0.295 31 V C -1.017 174.947 176.094 -0.217 0.000 1.026 31 V CA -0.848 61.298 62.300 -0.256 0.000 0.856 31 V CB 1.571 33.302 31.823 -0.154 0.000 1.001 31 V HN 0.696 nan 8.190 nan 0.000 0.424 32 L N 5.178 126.241 121.223 -0.267 0.000 2.305 32 L HA 0.993 5.334 4.340 0.001 0.000 0.284 32 L C -0.089 176.637 176.870 -0.240 0.000 1.013 32 L CA -0.124 54.568 54.840 -0.246 0.000 0.819 32 L CB 1.132 43.032 42.059 -0.265 0.000 1.227 32 L HN 0.789 nan 8.230 nan 0.000 0.417 33 A N 3.097 125.835 122.820 -0.136 0.000 2.539 33 A HA 0.784 5.104 4.320 0.001 0.000 0.296 33 A C -1.117 176.535 177.584 0.114 0.000 1.073 33 A CA -0.436 51.543 52.037 -0.096 0.000 0.700 33 A CB 1.763 20.649 19.000 -0.190 0.000 1.296 33 A HN 0.723 nan 8.150 nan 0.000 0.405 34 S N 0.089 115.821 115.700 0.054 0.000 2.437 34 S HA 0.420 4.891 4.470 0.001 0.000 0.305 34 S C 1.198 175.787 174.600 -0.018 0.000 1.109 34 S CA 0.299 58.427 58.200 -0.119 0.000 1.099 34 S CB 0.629 63.676 63.200 -0.255 0.000 1.004 34 S HN 1.510 nan 8.310 nan 0.000 0.475 35 T N 2.179 116.642 114.554 -0.152 0.000 3.118 35 T HA 0.350 4.700 4.350 0.001 0.000 0.269 35 T C 0.563 175.123 174.700 -0.234 0.000 1.166 35 T CA 0.588 62.508 62.100 -0.300 0.000 1.073 35 T CB -0.551 68.116 68.868 -0.335 0.000 0.884 35 T HN 0.989 nan 8.240 nan 0.000 0.550 36 A N 0.589 123.319 122.820 -0.150 0.000 2.599 36 A HA 0.715 5.036 4.320 0.001 0.000 0.290 36 A C -3.152 174.410 177.584 -0.037 0.000 1.101 36 A CA -2.022 49.955 52.037 -0.100 0.000 0.674 36 A CB 0.526 19.456 19.000 -0.117 0.000 1.277 36 A HN 0.100 nan 8.150 nan 0.000 0.419 37 P HA 0.389 nan 4.420 nan 0.000 0.266 37 P C -0.533 176.799 177.300 0.053 0.000 1.193 37 P CA 0.579 63.700 63.100 0.034 0.000 0.770 37 P CB 0.748 32.463 31.700 0.025 0.000 0.836 38 A N 1.655 124.544 122.820 0.115 0.000 2.486 38 A HA 0.629 4.949 4.320 0.001 0.000 0.300 38 A C -0.421 177.265 177.584 0.171 0.000 1.048 38 A CA -0.510 51.630 52.037 0.171 0.000 0.696 38 A CB 0.826 20.009 19.000 0.305 0.000 1.278 38 A HN 0.492 nan 8.150 nan 0.000 0.405 39 T N -0.133 114.493 114.554 0.120 0.000 2.851 39 T HA 0.485 4.835 4.350 0.001 0.000 0.298 39 T C -0.085 174.648 174.700 0.055 0.000 0.977 39 T CA -0.462 61.678 62.100 0.067 0.000 1.126 39 T CB 1.153 70.033 68.868 0.020 0.000 0.916 39 T HN 1.338 nan 8.240 nan 0.000 0.529 40 V N 2.393 122.307 119.914 0.001 0.000 2.555 40 V HA 0.675 4.795 4.120 0.001 0.000 0.302 40 V C -0.658 175.308 176.094 -0.213 0.000 1.038 40 V CA -0.459 61.757 62.300 -0.141 0.000 0.887 40 V CB 2.165 33.902 31.823 -0.144 0.000 0.991 40 V HN 1.081 nan 8.190 nan 0.000 0.434 41 S N 4.965 120.416 115.700 -0.416 0.000 2.561 41 S HA 0.930 5.400 4.470 0.001 0.000 0.303 41 S C -0.457 173.649 174.600 -0.824 0.000 1.110 41 S CA -0.071 57.813 58.200 -0.527 0.000 1.034 41 S CB 1.531 64.345 63.200 -0.644 0.000 1.010 41 S HN 1.365 nan 8.310 nan 0.000 0.482 42 A N 2.219 124.772 122.820 -0.445 0.000 2.587 42 A HA 0.906 5.226 4.320 0.001 0.000 0.293 42 A C -0.970 176.377 177.584 -0.393 0.000 1.087 42 A CA -0.872 50.906 52.037 -0.431 0.000 0.692 42 A CB 1.263 20.048 19.000 -0.358 0.000 1.291 42 A HN 1.177 nan 8.150 nan 0.000 0.407 43 V N -1.502 118.042 119.914 -0.617 0.000 2.925 43 V HA 0.974 5.095 4.120 0.001 0.000 0.311 43 V C -0.984 174.513 176.094 -0.995 0.000 1.104 43 V CA -0.924 61.040 62.300 -0.560 0.000 0.954 43 V CB 1.205 32.947 31.823 -0.135 0.000 1.022 43 V HN 0.834 nan 8.190 nan 0.000 0.427 44 F N -0.181 119.806 119.950 0.062 0.000 2.664 44 F HA 0.765 5.292 4.527 0.000 0.000 0.329 44 F C 0.804 176.627 175.800 0.037 0.000 1.090 44 F CA -0.749 57.277 58.000 0.043 0.000 0.978 44 F CB 1.787 40.813 39.000 0.045 0.000 1.378 44 F HN 0.748 nan 8.300 nan 0.000 0.495 45 T N -0.081 114.614 114.554 0.234 0.000 2.795 45 T HA 0.212 4.563 4.350 0.001 0.000 0.314 45 T C 0.650 175.434 174.700 0.140 0.000 1.069 45 T CA -0.033 62.153 62.100 0.143 0.000 1.071 45 T CB 0.413 69.355 68.868 0.124 0.000 0.988 45 T HN 0.656 nan 8.240 nan 0.000 0.543 46 R N 1.455 122.015 120.500 0.101 0.000 2.596 46 R HA 0.232 4.572 4.340 0.001 0.000 0.369 46 R C 0.688 177.034 176.300 0.077 0.000 1.042 46 R CA -0.337 55.815 56.100 0.086 0.000 1.120 46 R CB 0.366 30.707 30.300 0.070 0.000 1.353 46 R HN 0.568 nan 8.270 nan 0.000 0.564 47 S N 0.832 116.586 115.700 0.089 0.000 2.559 47 S HA -0.016 4.455 4.470 0.001 0.000 0.282 47 S C 1.328 175.989 174.600 0.102 0.000 1.336 47 S CA -0.076 58.187 58.200 0.105 0.000 1.037 47 S CB 0.658 63.934 63.200 0.127 0.000 0.853 47 S HN 0.262 nan 8.310 nan 0.000 0.523 48 R N 2.082 122.661 120.500 0.131 0.000 2.275 48 R HA 0.086 4.427 4.340 0.001 0.000 0.199 48 R C 0.203 176.526 176.300 0.038 0.000 0.989 48 R CA 0.664 56.812 56.100 0.080 0.000 1.016 48 R CB -0.300 30.063 30.300 0.105 0.000 0.918 48 R HN 0.664 nan 8.270 nan 0.000 0.473 49 F N 0.835 120.792 119.950 0.012 0.000 2.850 49 F HA 0.357 4.884 4.527 0.001 0.000 0.306 49 F C 0.544 176.350 175.800 0.009 0.000 1.162 49 F CA -0.766 57.239 58.000 0.008 0.000 1.327 49 F CB 0.334 39.339 39.000 0.009 0.000 0.953 49 F HN -0.153 nan 8.300 nan 0.000 0.507 50 A N 0.807 123.696 122.820 0.114 0.000 2.548 50 A HA 0.408 4.729 4.320 0.001 0.000 0.247 50 A C 1.153 178.767 177.584 0.050 0.000 1.067 50 A CA 0.459 52.545 52.037 0.082 0.000 0.757 50 A CB -0.476 18.555 19.000 0.052 0.000 0.996 50 A HN 0.456 nan 8.150 nan 0.000 0.504 51 G N 2.793 111.629 108.800 0.060 0.000 2.699 51 G HA2 0.350 4.311 3.960 0.001 0.000 0.246 51 G HA3 0.350 4.311 3.960 0.001 0.000 0.246 51 G C -0.705 174.192 174.900 -0.005 0.000 1.219 51 G CA -0.295 44.823 45.100 0.030 0.000 0.866 51 G HN 0.566 nan 8.290 nan 0.000 0.572 52 P HA -0.116 nan 4.420 nan 0.000 0.216 52 P C 1.879 179.160 177.300 -0.032 0.000 1.150 52 P CA 1.487 64.565 63.100 -0.037 0.000 0.837 52 P CB 0.095 31.767 31.700 -0.047 0.000 0.786 53 S N 0.224 115.918 115.700 -0.011 0.000 2.359 53 S HA -0.117 4.353 4.470 0.001 0.000 0.224 53 S C 2.192 176.761 174.600 -0.052 0.000 1.035 53 S CA 1.473 59.676 58.200 0.005 0.000 1.018 53 S CB -1.397 61.840 63.200 0.063 0.000 0.876 53 S HN -0.017 nan 8.310 nan 0.000 0.448 54 V N 1.850 121.730 119.914 -0.057 0.000 2.231 54 V HA -0.229 3.891 4.120 0.001 0.000 0.248 54 V C 2.381 178.302 176.094 -0.289 0.000 1.054 54 V CA 1.927 64.131 62.300 -0.160 0.000 1.015 54 V CB -1.035 30.756 31.823 -0.053 0.000 0.638 54 V HN 0.361 nan 8.190 nan 0.000 0.444 55 V N -0.259 119.557 119.914 -0.163 0.000 2.250 55 V HA -0.349 3.772 4.120 0.001 0.000 0.250 55 V C 2.338 178.331 176.094 -0.169 0.000 1.060 55 V CA 2.472 64.683 62.300 -0.148 0.000 1.030 55 V CB -0.715 31.058 31.823 -0.083 0.000 0.643 55 V HN 0.462 nan 8.190 nan 0.000 0.445 56 L N -0.898 120.248 121.223 -0.128 0.000 2.042 56 L HA -0.255 4.085 4.340 0.001 0.000 0.210 56 L C 2.649 179.433 176.870 -0.142 0.000 1.076 56 L CA 1.856 56.638 54.840 -0.096 0.000 0.749 56 L CB -0.723 41.308 42.059 -0.046 0.000 0.893 56 L HN 0.435 nan 8.230 nan 0.000 0.432 57 C N -0.611 118.535 119.300 -0.255 0.000 2.429 57 C HA -0.118 4.342 4.460 0.001 0.000 0.277 57 C C 2.910 177.625 174.990 -0.459 0.000 1.262 57 C CA 0.411 59.224 59.018 -0.342 0.000 1.733 57 C CB -0.970 26.455 27.740 -0.524 0.000 2.010 57 C HN 0.426 nan 8.230 nan 0.000 0.483 58 R N 0.972 121.087 120.500 -0.642 0.000 2.080 58 R HA -0.154 4.186 4.340 0.001 0.000 0.236 58 R C 2.101 178.350 176.300 -0.086 0.000 1.137 58 R CA 1.632 57.539 56.100 -0.321 0.000 0.943 58 R CB -0.503 29.669 30.300 -0.213 0.000 0.846 58 R HN 0.693 nan 8.270 nan 0.000 0.431 59 E N 0.720 120.866 120.200 -0.089 0.000 2.038 59 E HA -0.180 4.171 4.350 0.001 0.000 0.195 59 E C 2.060 178.661 176.600 0.002 0.000 1.000 59 E CA 1.220 57.603 56.400 -0.028 0.000 0.803 59 E CB -0.241 29.442 29.700 -0.029 0.000 0.750 59 E HN 0.349 nan 8.360 nan 0.000 0.448 60 A N 1.341 124.161 122.820 -0.000 0.000 2.084 60 A HA -0.158 4.162 4.320 0.001 0.000 0.221 60 A C 2.413 180.040 177.584 0.071 0.000 1.161 60 A CA 1.721 53.783 52.037 0.041 0.000 0.653 60 A CB -0.636 18.395 19.000 0.052 0.000 0.802 60 A HN 0.259 nan 8.150 nan 0.000 0.457 61 V N -4.279 115.685 119.914 0.082 0.000 3.660 61 V HA 0.453 4.574 4.120 0.001 0.000 0.276 61 V C 2.124 178.265 176.094 0.079 0.000 1.317 61 V CA 0.715 63.075 62.300 0.100 0.000 1.097 61 V CB -0.862 31.062 31.823 0.167 0.000 0.863 61 V HN 0.456 nan 8.190 nan 0.000 0.438 62 A N 2.839 125.699 122.820 0.067 0.000 1.896 62 A HA -0.324 3.996 4.320 0.001 0.000 0.220 62 A C 1.907 179.519 177.584 0.046 0.000 1.206 62 A CA 2.551 54.621 52.037 0.055 0.000 0.647 62 A CB -1.037 17.988 19.000 0.041 0.000 0.828 62 A HN 0.811 nan 8.150 nan 0.000 0.455 63 D N -1.388 119.038 120.400 0.044 0.000 2.378 63 D HA 0.181 4.821 4.640 0.001 0.000 0.227 63 D C 1.201 177.524 176.300 0.039 0.000 1.012 63 D CA 0.999 55.023 54.000 0.039 0.000 0.905 63 D CB -0.980 39.843 40.800 0.039 0.000 0.895 63 D HN 0.978 nan 8.370 nan 0.000 0.532 64 G N 0.413 109.237 108.800 0.040 0.000 2.187 64 G HA2 -0.346 3.614 3.960 0.001 0.000 0.261 64 G HA3 -0.346 3.614 3.960 0.001 0.000 0.261 64 G C 0.080 175.004 174.900 0.041 0.000 1.000 64 G CA 0.619 45.736 45.100 0.029 0.000 0.718 64 G HN 0.609 nan 8.290 nan 0.000 0.519 65 Q N -0.329 119.508 119.800 0.062 0.000 2.321 65 Q HA 0.794 5.134 4.340 0.001 0.000 0.270 65 Q C -0.254 175.821 176.000 0.125 0.000 1.032 65 Q CA 0.368 56.223 55.803 0.087 0.000 0.784 65 Q CB 1.825 30.604 28.738 0.069 0.000 1.264 65 Q HN 1.384 nan 8.270 nan 0.000 0.448 66 A N 3.336 126.272 122.820 0.194 0.000 2.601 66 A HA 0.705 5.025 4.320 0.001 0.000 0.291 66 A C -0.971 176.810 177.584 0.328 0.000 1.075 66 A CA -0.684 51.516 52.037 0.272 0.000 0.671 66 A CB 1.478 20.691 19.000 0.354 0.000 1.277 66 A HN 0.789 nan 8.150 nan 0.000 0.417 67 R N -0.091 120.548 120.500 0.232 0.000 2.566 67 R HA 0.441 4.782 4.340 0.001 0.000 0.388 67 R C 0.408 176.633 176.300 -0.124 0.000 0.989 67 R CA 0.477 56.626 56.100 0.080 0.000 1.164 67 R CB 1.506 31.865 30.300 0.099 0.000 1.459 67 R HN 1.317 nan 8.270 nan 0.000 0.553 68 G N -0.168 108.534 108.800 -0.164 0.000 2.342 68 G HA2 0.362 4.323 3.960 0.001 0.000 0.297 68 G HA3 0.362 4.323 3.960 0.001 0.000 0.297 68 G C -2.011 172.875 174.900 -0.022 0.000 1.313 68 G CA -0.355 44.569 45.100 -0.293 0.000 0.830 68 G HN -0.035 nan 8.290 nan 0.000 0.506 69 V N -0.750 119.098 119.914 -0.110 0.000 2.882 69 V HA 0.661 4.781 4.120 0.001 0.000 0.295 69 V C -1.279 174.690 176.094 -0.209 0.000 1.273 69 V CA -0.540 61.728 62.300 -0.053 0.000 0.949 69 V CB 1.568 33.396 31.823 0.007 0.000 1.071 69 V HN 1.577 nan 8.190 nan 0.000 0.432 70 V N 7.479 127.283 119.914 -0.185 0.000 2.435 70 V HA 0.817 4.938 4.120 0.001 0.000 0.290 70 V C -0.817 175.105 176.094 -0.287 0.000 1.030 70 V CA 0.033 62.141 62.300 -0.320 0.000 0.881 70 V CB 1.857 33.509 31.823 -0.286 0.000 0.983 70 V HN 0.809 nan 8.190 nan 0.000 0.445 71 V N 7.618 127.300 119.914 -0.386 0.000 2.531 71 V HA 0.532 4.652 4.120 0.001 0.000 0.301 71 V C -0.760 175.200 176.094 -0.224 0.000 1.034 71 V CA -0.607 61.563 62.300 -0.216 0.000 0.865 71 V CB 1.536 33.252 31.823 -0.177 0.000 0.995 71 V HN 0.725 nan 8.190 nan 0.000 0.424 72 L N 4.507 125.679 121.223 -0.085 0.000 2.325 72 L HA 0.849 5.189 4.340 0.001 0.000 0.281 72 L C 0.326 177.212 176.870 0.027 0.000 1.004 72 L CA -0.138 54.670 54.840 -0.053 0.000 0.823 72 L CB 1.680 43.675 42.059 -0.107 0.000 1.236 72 L HN 0.765 nan 8.230 nan 0.000 0.415 73 A N 2.746 125.578 122.820 0.019 0.000 2.324 73 A HA 0.883 5.203 4.320 0.001 0.000 0.330 73 A C 0.604 178.213 177.584 0.042 0.000 1.165 73 A CA -0.343 51.719 52.037 0.041 0.000 0.813 73 A CB 0.831 19.849 19.000 0.030 0.000 1.197 73 A HN 0.739 nan 8.150 nan 0.000 0.484 74 R N -0.675 119.858 120.500 0.054 0.000 3.203 74 R HA -0.103 4.237 4.340 0.001 0.000 0.495 74 R C -0.542 175.804 176.300 0.076 0.000 0.723 74 R CA 1.168 57.298 56.100 0.050 0.000 1.336 74 R CB -1.727 28.591 30.300 0.031 0.000 2.046 74 R HN 0.857 nan 8.270 nan 0.000 0.435 75 N N -0.936 117.835 118.700 0.119 0.000 2.648 75 N HA 0.425 5.165 4.740 0.001 0.000 0.272 75 N C -0.086 175.566 175.510 0.237 0.000 1.118 75 N CA 0.446 53.603 53.050 0.179 0.000 0.973 75 N CB 1.504 40.145 38.487 0.257 0.000 1.565 75 N HN 0.065 nan 8.380 nan 0.000 0.542 76 A N 3.110 126.021 122.820 0.151 0.000 2.123 76 A HA 0.066 4.387 4.320 0.001 0.000 0.214 76 A C 0.873 178.498 177.584 0.069 0.000 1.152 76 A CA 0.851 52.965 52.037 0.127 0.000 0.728 76 A CB -0.507 18.542 19.000 0.081 0.000 0.814 76 A HN 0.860 nan 8.150 nan 0.000 0.464 77 N N -1.197 117.484 118.700 -0.031 0.000 2.696 77 N HA -0.143 4.598 4.740 0.001 0.000 0.256 77 N C -1.075 174.362 175.510 -0.120 0.000 1.031 77 N CA 0.894 53.780 53.050 -0.274 0.000 0.730 77 N CB -1.539 36.506 38.487 -0.736 0.000 0.894 77 N HN 0.186 nan 8.380 nan 0.000 0.544 78 V N 0.656 120.550 119.914 -0.034 0.000 2.531 78 V HA 0.795 4.916 4.120 0.001 0.000 0.301 78 V C 0.987 177.114 176.094 0.055 0.000 1.034 78 V CA -0.172 62.145 62.300 0.028 0.000 0.865 78 V CB 1.146 33.008 31.823 0.066 0.000 0.995 78 V HN 0.824 nan 8.190 nan 0.000 0.424 79 A N 3.415 126.288 122.820 0.088 0.000 2.996 79 A HA -0.163 4.158 4.320 0.001 0.000 0.257 79 A C 1.096 178.706 177.584 0.044 0.000 1.394 79 A CA 1.144 53.252 52.037 0.119 0.000 0.820 79 A CB -2.142 16.968 19.000 0.182 0.000 1.054 79 A HN 1.476 nan 8.150 nan 0.000 0.619 80 T N -2.489 112.062 114.554 -0.005 0.000 3.122 80 T HA 0.517 4.868 4.350 0.001 0.000 0.250 80 T C 2.088 176.770 174.700 -0.031 0.000 1.067 80 T CA 1.178 63.258 62.100 -0.033 0.000 0.966 80 T CB 0.012 68.824 68.868 -0.093 0.000 1.002 80 T HN 2.540 nan 8.240 nan 0.000 0.542 81 G N 1.843 110.631 108.800 -0.021 0.000 2.641 81 G HA2 -0.235 3.725 3.960 0.001 0.000 0.254 81 G HA3 -0.235 3.725 3.960 0.001 0.000 0.254 81 G C 0.373 175.254 174.900 -0.032 0.000 1.315 81 G CA -0.099 44.987 45.100 -0.023 0.000 0.907 81 G HN 0.517 nan 8.290 nan 0.000 0.572 82 L N 0.677 121.884 121.223 -0.026 0.000 2.042 82 L HA 0.033 4.374 4.340 0.001 0.000 0.210 82 L C 2.704 179.560 176.870 -0.024 0.000 1.076 82 L CA 3.167 57.993 54.840 -0.024 0.000 0.749 82 L CB -0.886 41.163 42.059 -0.017 0.000 0.893 82 L HN 0.913 nan 8.230 nan 0.000 0.432 83 E N -0.886 119.302 120.200 -0.021 0.000 2.070 83 E HA -0.226 4.124 4.350 0.001 0.000 0.197 83 E C 2.102 178.680 176.600 -0.036 0.000 1.004 83 E CA 1.443 57.832 56.400 -0.019 0.000 0.805 83 E CB -0.644 29.048 29.700 -0.013 0.000 0.744 83 E HN 0.577 nan 8.360 nan 0.000 0.451 84 G N 0.362 109.126 108.800 -0.061 0.000 2.422 84 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 84 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 84 G C 1.322 176.160 174.900 -0.104 0.000 1.146 84 G CA 0.936 45.965 45.100 -0.118 0.000 0.769 84 G HN 0.363 nan 8.290 nan 0.000 0.547 85 E N 0.451 120.613 120.200 -0.062 0.000 2.051 85 E HA -0.125 4.226 4.350 0.001 0.000 0.192 85 E C 2.475 179.062 176.600 -0.022 0.000 0.991 85 E CA 1.236 57.610 56.400 -0.043 0.000 0.799 85 E CB -0.122 29.557 29.700 -0.034 0.000 0.748 85 E HN 0.588 nan 8.360 nan 0.000 0.449 86 E N 0.808 121.000 120.200 -0.014 0.000 2.038 86 E HA -0.174 4.177 4.350 0.001 0.000 0.195 86 E C 1.879 178.494 176.600 0.025 0.000 1.000 86 E CA 0.924 57.327 56.400 0.005 0.000 0.803 86 E CB -0.162 29.541 29.700 0.005 0.000 0.750 86 E HN 0.197 nan 8.360 nan 0.000 0.448 87 N N 0.674 119.390 118.700 0.026 0.000 2.430 87 N HA -0.146 4.594 4.740 0.001 0.000 0.186 87 N C 1.473 177.062 175.510 0.131 0.000 1.032 87 N CA 1.084 54.185 53.050 0.086 0.000 0.893 87 N CB -0.157 38.385 38.487 0.091 0.000 0.957 87 N HN 0.174 nan 8.380 nan 0.000 0.442 88 A N 1.506 124.363 122.820 0.061 0.000 1.855 88 A HA -0.016 4.305 4.320 0.001 0.000 0.213 88 A C 2.238 179.872 177.584 0.084 0.000 1.195 88 A CA 0.702 52.791 52.037 0.087 0.000 0.610 88 A CB -0.250 18.761 19.000 0.019 0.000 0.837 88 A HN 0.183 nan 8.150 nan 0.000 0.444 89 R N -0.293 120.236 120.500 0.048 0.000 2.096 89 R HA -0.099 4.242 4.340 0.001 0.000 0.235 89 R C 2.201 178.531 176.300 0.050 0.000 1.127 89 R CA 1.314 57.438 56.100 0.039 0.000 0.968 89 R CB -0.301 30.012 30.300 0.022 0.000 0.861 89 R HN 0.711 nan 8.270 nan 0.000 0.440 90 E N 0.652 120.888 120.200 0.059 0.000 2.017 90 E HA -0.173 4.177 4.350 0.001 0.000 0.193 90 E C 1.963 178.608 176.600 0.075 0.000 0.997 90 E CA 1.486 57.922 56.400 0.059 0.000 0.804 90 E CB 0.121 29.859 29.700 0.063 0.000 0.757 90 E HN 0.078 nan 8.360 nan 0.000 0.448 91 V N 1.671 121.656 119.914 0.118 0.000 2.490 91 V HA -0.226 3.894 4.120 0.001 0.000 0.250 91 V C 2.556 178.721 176.094 0.119 0.000 1.061 91 V CA 1.480 63.864 62.300 0.141 0.000 1.064 91 V CB -0.596 31.353 31.823 0.210 0.000 0.670 91 V HN 0.245 nan 8.190 nan 0.000 0.461 92 R N 0.624 121.181 120.500 0.095 0.000 2.066 92 R HA -0.134 4.206 4.340 0.001 0.000 0.232 92 R C 2.338 178.662 176.300 0.039 0.000 1.131 92 R CA 2.116 58.254 56.100 0.063 0.000 0.955 92 R CB -0.386 29.947 30.300 0.055 0.000 0.851 92 R HN 0.621 nan 8.270 nan 0.000 0.432 93 E N 0.135 120.356 120.200 0.035 0.000 2.158 93 E HA 0.055 4.405 4.350 0.001 0.000 0.191 93 E C 1.915 178.521 176.600 0.010 0.000 0.982 93 E CA 1.039 57.451 56.400 0.020 0.000 0.823 93 E CB -0.583 29.128 29.700 0.018 0.000 0.766 93 E HN 0.561 nan 8.360 nan 0.000 0.468 94 A N 0.576 123.406 122.820 0.017 0.000 1.865 94 A HA -0.049 4.272 4.320 0.001 0.000 0.217 94 A C 2.719 180.294 177.584 -0.016 0.000 1.191 94 A CA 1.922 53.960 52.037 0.001 0.000 0.623 94 A CB -0.777 18.230 19.000 0.012 0.000 0.826 94 A HN 0.452 nan 8.150 nan 0.000 0.444 95 V N -0.086 119.832 119.914 0.007 0.000 2.255 95 V HA -0.304 3.816 4.120 0.001 0.000 0.247 95 V C 3.096 179.141 176.094 -0.083 0.000 1.051 95 V CA 2.205 64.487 62.300 -0.029 0.000 1.018 95 V CB -1.365 30.459 31.823 0.002 0.000 0.641 95 V HN 0.655 nan 8.190 nan 0.000 0.445 96 A N 0.133 122.925 122.820 -0.048 0.000 1.892 96 A HA -0.298 4.023 4.320 0.001 0.000 0.218 96 A C 2.528 180.091 177.584 -0.036 0.000 1.188 96 A CA 3.190 55.202 52.037 -0.041 0.000 0.631 96 A CB -0.876 18.121 19.000 -0.005 0.000 0.822 96 A HN 0.547 nan 8.150 nan 0.000 0.447 97 R N -0.782 119.701 120.500 -0.027 0.000 2.091 97 R HA 0.038 4.378 4.340 0.001 0.000 0.238 97 R C 2.574 178.852 176.300 -0.036 0.000 1.136 97 R CA 2.478 58.566 56.100 -0.020 0.000 0.959 97 R CB -1.784 28.505 30.300 -0.018 0.000 0.856 97 R HN 1.045 nan 8.270 nan 0.000 0.437 98 A N 0.653 123.426 122.820 -0.078 0.000 1.902 98 A HA 0.085 4.406 4.320 0.001 0.000 0.217 98 A C 2.321 179.832 177.584 -0.123 0.000 1.181 98 A CA 1.459 53.428 52.037 -0.113 0.000 0.623 98 A CB -0.146 18.748 19.000 -0.177 0.000 0.818 98 A HN 0.463 nan 8.150 nan 0.000 0.443 99 L N -1.254 119.863 121.223 -0.177 0.000 2.592 99 L HA 0.211 4.551 4.340 0.001 0.000 0.227 99 L C 1.558 178.557 176.870 0.217 0.000 1.127 99 L CA 0.419 55.165 54.840 -0.158 0.000 0.884 99 L CB -0.298 41.422 42.059 -0.565 0.000 1.065 99 L HN 0.572 nan 8.230 nan 0.000 0.457 100 G N 1.120 109.984 108.800 0.107 0.000 2.198 100 G HA2 -0.277 3.683 3.960 0.001 0.000 0.260 100 G HA3 -0.277 3.683 3.960 0.001 0.000 0.260 100 G C 0.055 175.027 174.900 0.121 0.000 1.025 100 G CA 0.047 45.219 45.100 0.119 0.000 0.769 100 G HN 0.254 nan 8.290 nan 0.000 0.507 101 L N 0.992 122.273 121.223 0.096 0.000 2.360 101 L HA 0.539 4.879 4.340 0.001 0.000 0.271 101 L C -1.454 175.448 176.870 0.053 0.000 1.057 101 L CA -2.387 52.506 54.840 0.088 0.000 0.803 101 L CB 1.386 43.489 42.059 0.073 0.000 1.207 101 L HN -0.045 nan 8.230 nan 0.000 0.445 102 P HA 0.040 nan 4.420 nan 0.000 0.276 102 P C 0.220 177.542 177.300 0.037 0.000 1.230 102 P CA -0.260 62.864 63.100 0.040 0.000 0.776 102 P CB 1.185 32.910 31.700 0.041 0.000 0.888 103 E N 3.171 123.388 120.200 0.028 0.000 2.136 103 E HA -0.244 4.106 4.350 0.001 0.000 0.208 103 E C 1.823 178.442 176.600 0.033 0.000 1.035 103 E CA 2.110 58.525 56.400 0.025 0.000 0.838 103 E CB -0.806 28.906 29.700 0.021 0.000 0.748 103 E HN 0.712 nan 8.360 nan 0.000 0.459 104 G N -0.086 108.735 108.800 0.036 0.000 2.776 104 G HA2 -0.104 3.856 3.960 0.001 0.000 0.209 104 G HA3 -0.104 3.856 3.960 0.001 0.000 0.209 104 G C 0.335 175.272 174.900 0.061 0.000 1.145 104 G CA 0.103 45.229 45.100 0.042 0.000 0.791 104 G HN 0.267 nan 8.290 nan 0.000 0.530 108 I N 0.786 121.405 120.570 0.082 0.000 2.607 108 I HA 0.856 5.027 4.170 0.001 0.000 0.290 108 I C -1.280 174.904 176.117 0.113 0.000 1.129 108 I CA -0.202 61.138 61.300 0.066 0.000 1.042 108 I CB 1.953 39.995 38.000 0.069 0.000 1.242 108 I HN 0.765 nan 8.210 nan 0.000 0.421 109 A N 4.694 127.589 122.820 0.124 0.000 2.393 109 A HA 0.802 5.123 4.320 0.001 0.000 0.306 109 A C -1.189 176.496 177.584 0.167 0.000 1.050 109 A CA -0.519 51.638 52.037 0.200 0.000 0.724 109 A CB 1.891 21.112 19.000 0.368 0.000 1.248 109 A HN 0.611 nan 8.150 nan 0.000 0.424 110 S N 0.761 116.566 115.700 0.175 0.000 2.677 110 S HA 0.670 5.141 4.470 0.001 0.000 0.283 110 S C -0.719 173.972 174.600 0.150 0.000 1.159 110 S CA -0.100 58.209 58.200 0.182 0.000 1.001 110 S CB 1.341 64.701 63.200 0.267 0.000 1.032 110 S HN 1.237 nan 8.310 nan 0.000 0.487 111 T N 3.157 117.789 114.554 0.131 0.000 2.885 111 T HA 0.880 5.231 4.350 0.001 0.000 0.285 111 T C 0.364 175.120 174.700 0.094 0.000 1.019 111 T CA 0.755 62.915 62.100 0.100 0.000 1.010 111 T CB 0.946 69.864 68.868 0.082 0.000 1.022 111 T HN 1.528 nan 8.240 nan 0.000 0.466 112 G N 1.790 110.635 108.800 0.075 0.000 2.291 112 G HA2 0.149 4.109 3.960 0.001 0.000 0.249 112 G HA3 0.149 4.109 3.960 0.001 0.000 0.249 112 G C -1.059 173.874 174.900 0.054 0.000 1.340 112 G CA -0.266 44.873 45.100 0.066 0.000 1.017 112 G HN 0.877 nan 8.290 nan 0.000 0.470 113 V N 1.398 121.345 119.914 0.054 0.000 2.585 113 V HA 0.327 4.448 4.120 0.001 0.000 0.296 113 V C 0.996 177.113 176.094 0.039 0.000 1.035 113 V CA 0.243 62.566 62.300 0.038 0.000 1.084 113 V CB 0.629 32.473 31.823 0.036 0.000 0.953 113 V HN 0.519 nan 8.190 nan 0.000 0.483 114 I N 4.036 124.619 120.570 0.021 0.000 2.612 114 I HA 0.499 4.669 4.170 0.001 0.000 0.295 114 I C 1.464 177.588 176.117 0.013 0.000 1.011 114 I CA 1.001 62.311 61.300 0.016 0.000 1.326 114 I CB 1.090 39.089 38.000 -0.002 0.000 1.427 114 I HN 0.842 nan 8.210 nan 0.000 0.537 115 G N 2.567 111.377 108.800 0.016 0.000 2.267 115 G HA2 -0.294 3.666 3.960 0.001 0.000 0.257 115 G HA3 -0.294 3.666 3.960 0.001 0.000 0.257 115 G C 0.508 175.415 174.900 0.010 0.000 0.998 115 G CA 0.339 45.448 45.100 0.015 0.000 0.620 115 G HN 0.915 nan 8.290 nan 0.000 0.529 116 R N 0.723 121.232 120.500 0.015 0.000 2.368 116 R HA 0.750 5.090 4.340 0.001 0.000 0.302 116 R C 0.465 176.776 176.300 0.018 0.000 1.002 116 R CA -0.292 55.822 56.100 0.024 0.000 0.929 116 R CB 0.331 30.656 30.300 0.040 0.000 1.073 116 R HN 0.456 nan 8.270 nan 0.000 0.464 117 Q N 1.003 120.816 119.800 0.021 0.000 2.417 117 Q HA 0.196 4.537 4.340 0.001 0.000 0.241 117 Q C -0.524 175.549 176.000 0.121 0.000 1.008 117 Q CA -0.178 55.633 55.803 0.014 0.000 0.901 117 Q CB 0.441 29.192 28.738 0.021 0.000 1.259 117 Q HN 0.636 nan 8.270 nan 0.000 0.489 118 Y N 1.853 122.171 120.300 0.029 0.000 2.379 118 Y HA 0.126 4.677 4.550 0.001 0.000 0.337 118 Y C -1.331 174.582 175.900 0.022 0.000 1.238 118 Y CA -1.976 56.144 58.100 0.032 0.000 1.405 118 Y CB -0.517 37.969 38.460 0.043 0.000 1.310 118 Y HN 0.471 nan 8.280 nan 0.000 0.569 122 S N 1.017 116.700 115.700 -0.028 0.000 2.370 122 S HA -0.025 4.446 4.470 0.001 0.000 0.226 122 S C 2.143 176.694 174.600 -0.082 0.000 1.033 122 S CA 1.555 59.725 58.200 -0.051 0.000 1.011 122 S CB -0.414 62.751 63.200 -0.059 0.000 0.852 122 S HN 0.331 nan 8.310 nan 0.000 0.457 123 I N 0.666 121.178 120.570 -0.097 0.000 2.252 123 I HA -0.164 4.007 4.170 0.001 0.000 0.245 123 I C 2.806 178.851 176.117 -0.121 0.000 1.102 123 I CA 1.163 62.369 61.300 -0.158 0.000 1.385 123 I CB -0.337 37.582 38.000 -0.135 0.000 1.064 123 I HN 0.237 nan 8.210 nan 0.000 0.414 124 R N 0.759 121.221 120.500 -0.064 0.000 2.091 124 R HA -0.198 4.142 4.340 0.001 0.000 0.238 124 R C 2.614 178.876 176.300 -0.064 0.000 1.136 124 R CA 2.010 58.080 56.100 -0.051 0.000 0.959 124 R CB -0.713 29.572 30.300 -0.025 0.000 0.856 124 R HN 0.491 nan 8.270 nan 0.000 0.437 125 E N 0.697 120.866 120.200 -0.052 0.000 2.007 125 E HA -0.310 4.040 4.350 0.001 0.000 0.203 125 E C 1.677 178.240 176.600 -0.062 0.000 1.020 125 E CA 2.004 58.377 56.400 -0.045 0.000 0.845 125 E CB -1.335 28.348 29.700 -0.027 0.000 0.779 125 E HN 0.647 nan 8.360 nan 0.000 0.466 126 H N 0.409 119.383 119.070 -0.161 0.000 2.362 126 H HA -0.090 4.466 4.556 0.000 0.000 0.294 126 H C 2.178 177.386 175.328 -0.200 0.000 1.113 126 H CA 2.109 58.040 56.048 -0.194 0.000 1.253 126 H CB -0.445 29.131 29.762 -0.309 0.000 1.363 126 H HN 0.330 nan 8.280 nan 0.000 0.494 127 L N -0.273 120.784 121.223 -0.278 0.000 2.131 127 L HA -0.187 4.153 4.340 0.001 0.000 0.210 127 L C 2.880 179.616 176.870 -0.223 0.000 1.092 127 L CA 1.758 56.441 54.840 -0.263 0.000 0.759 127 L CB -0.601 41.374 42.059 -0.140 0.000 0.903 127 L HN 0.515 nan 8.230 nan 0.000 0.435 128 K N -0.350 119.947 120.400 -0.172 0.000 2.280 128 K HA -0.156 4.164 4.320 0.001 0.000 0.202 128 K C 1.855 178.363 176.600 -0.153 0.000 1.047 128 K CA 1.782 57.992 56.287 -0.129 0.000 0.942 128 K CB -1.387 31.060 32.500 -0.088 0.000 0.739 128 K HN 0.601 nan 8.250 nan 0.000 0.457 129 T N -2.214 112.205 114.554 -0.225 0.000 3.069 129 T HA 0.323 4.674 4.350 0.001 0.000 0.252 129 T C 0.592 175.122 174.700 -0.283 0.000 1.053 129 T CA -0.234 61.738 62.100 -0.214 0.000 0.964 129 T CB -0.280 68.483 68.868 -0.174 0.000 1.005 129 T HN 0.210 nan 8.240 nan 0.000 0.532 130 L N 2.601 123.595 121.223 -0.381 0.000 2.499 130 L HA 0.560 4.901 4.340 0.001 0.000 0.273 130 L C 0.100 176.785 176.870 -0.308 0.000 1.195 130 L CA 0.951 55.534 54.840 -0.428 0.000 0.882 130 L CB -0.460 41.355 42.059 -0.407 0.000 1.133 130 L HN 0.525 nan 8.230 nan 0.000 0.483 131 E N 3.464 123.470 120.200 -0.323 0.000 2.423 131 E HA 0.338 4.688 4.350 0.001 0.000 0.280 131 E C -1.616 174.861 176.600 -0.205 0.000 1.030 131 E CA -0.688 55.591 56.400 -0.202 0.000 0.812 131 E CB 0.187 29.843 29.700 -0.073 0.000 1.313 131 E HN 0.602 nan 8.360 nan 0.000 0.456 132 W N 2.695 123.935 121.300 -0.099 0.000 2.417 132 W HA 0.360 5.021 4.660 0.001 0.000 0.332 132 W C -1.557 174.927 176.519 -0.057 0.000 1.413 132 W CA -0.288 57.010 57.345 -0.078 0.000 1.299 132 W CB 0.496 29.919 29.460 -0.062 0.000 1.304 132 W HN 0.409 nan 8.180 nan 0.000 0.565 133 P HA 0.244 nan 4.420 nan 0.000 0.276 133 P C -0.516 176.867 177.300 0.138 0.000 1.230 133 P CA -0.268 62.907 63.100 0.125 0.000 0.776 133 P CB 0.912 32.682 31.700 0.117 0.000 0.888 134 A N 2.674 125.551 122.820 0.095 0.000 2.425 134 A HA 0.559 4.879 4.320 0.001 0.000 0.249 134 A C 0.870 178.489 177.584 0.058 0.000 1.084 134 A CA 0.581 52.659 52.037 0.068 0.000 0.781 134 A CB -0.867 18.161 19.000 0.047 0.000 1.019 134 A HN 0.988 nan 8.150 nan 0.000 0.490 135 G N 1.685 110.512 108.800 0.045 0.000 2.722 135 G HA2 -0.037 3.923 3.960 0.001 0.000 0.686 135 G HA3 -0.037 3.923 3.960 0.001 0.000 0.686 135 G C -0.549 174.383 174.900 0.053 0.000 1.282 135 G CA -0.025 45.100 45.100 0.042 0.000 0.817 135 G HN 0.976 nan 8.290 nan 0.000 0.605 136 E N 0.093 120.326 120.200 0.055 0.000 2.504 136 E HA 0.723 5.073 4.350 0.001 0.000 0.253 136 E C 0.998 177.644 176.600 0.076 0.000 1.151 136 E CA -0.017 56.428 56.400 0.074 0.000 0.972 136 E CB 1.064 30.817 29.700 0.088 0.000 1.247 136 E HN 2.196 nan 8.360 nan 0.000 0.519 137 G N -0.945 107.914 108.800 0.099 0.000 2.681 137 G HA2 0.080 4.040 3.960 0.001 0.000 0.220 137 G HA3 0.080 4.040 3.960 0.001 0.000 0.220 137 G C 0.545 175.406 174.900 -0.064 0.000 1.353 137 G CA -0.153 45.006 45.100 0.098 0.000 0.872 137 G HN 1.331 nan 8.290 nan 0.000 0.557 138 G N -2.852 105.937 108.800 -0.018 0.000 2.141 138 G HA2 0.032 3.992 3.960 0.001 0.000 0.164 138 G HA3 0.032 3.992 3.960 0.001 0.000 0.164 138 G C 0.765 175.589 174.900 -0.126 0.000 1.009 138 G CA 0.596 45.651 45.100 -0.075 0.000 0.677 138 G HN 1.419 nan 8.290 nan 0.000 0.508 139 F N 0.952 120.916 119.950 0.024 0.000 2.451 139 F HA 0.115 4.643 4.527 0.000 0.000 0.299 139 F C 2.614 178.415 175.800 0.002 0.000 1.101 139 F CA 2.015 60.019 58.000 0.006 0.000 1.436 139 F CB -0.294 38.709 39.000 0.004 0.000 1.074 139 F HN 0.373 nan 8.300 nan 0.000 0.553 140 D N 1.089 121.583 120.400 0.155 0.000 2.084 140 D HA -0.175 4.466 4.640 0.001 0.000 0.194 140 D C 2.101 178.430 176.300 0.049 0.000 0.990 140 D CA 1.583 55.639 54.000 0.092 0.000 0.826 140 D CB -0.794 40.048 40.800 0.070 0.000 0.971 140 D HN 0.458 nan 8.370 nan 0.000 0.453 141 R N -0.327 120.183 120.500 0.016 0.000 2.236 141 R HA 0.430 4.770 4.340 0.001 0.000 0.208 141 R C 2.479 178.763 176.300 -0.028 0.000 1.036 141 R CA 1.035 57.127 56.100 -0.013 0.000 1.001 141 R CB -0.047 30.232 30.300 -0.034 0.000 0.896 141 R HN 0.339 nan 8.270 nan 0.000 0.464 142 A N 1.731 124.535 122.820 -0.027 0.000 1.970 142 A HA 0.177 4.497 4.320 0.001 0.000 0.216 142 A C 2.386 179.983 177.584 0.022 0.000 1.170 142 A CA 0.982 52.996 52.037 -0.038 0.000 0.645 142 A CB -0.348 18.610 19.000 -0.070 0.000 0.816 142 A HN 0.435 nan 8.150 nan 0.000 0.447 143 A N -0.414 122.440 122.820 0.057 0.000 2.067 143 A HA -0.061 4.259 4.320 0.001 0.000 0.219 143 A C 2.180 179.786 177.584 0.036 0.000 1.158 143 A CA 1.318 53.392 52.037 0.062 0.000 0.661 143 A CB -0.313 18.725 19.000 0.064 0.000 0.801 143 A HN 0.516 nan 8.150 nan 0.000 0.452 144 R N -1.174 119.337 120.500 0.019 0.000 2.189 144 R HA 0.176 4.517 4.340 0.001 0.000 0.203 144 R C 1.981 178.281 176.300 -0.001 0.000 1.012 144 R CA 0.783 56.888 56.100 0.008 0.000 1.015 144 R CB -0.089 30.212 30.300 0.001 0.000 0.938 144 R HN 0.426 nan 8.270 nan 0.000 0.472 145 A N 1.238 124.050 122.820 -0.013 0.000 2.251 145 A HA 0.140 4.460 4.320 0.001 0.000 0.209 145 A C 1.059 178.636 177.584 -0.012 0.000 1.187 145 A CA -0.031 51.990 52.037 -0.026 0.000 0.823 145 A CB -0.363 18.601 19.000 -0.060 0.000 0.846 145 A HN 0.334 nan 8.150 nan 0.000 0.486 149 T N 0.729 115.289 114.554 0.009 0.000 3.145 149 T HA 0.397 4.747 4.350 0.001 0.000 0.255 149 T C -0.452 174.253 174.700 0.008 0.000 1.039 149 T CA -0.131 61.970 62.100 0.001 0.000 0.928 149 T CB -0.644 68.218 68.868 -0.011 0.000 1.029 149 T HN 0.483 nan 8.240 nan 0.000 0.554 150 D N 2.602 123.011 120.400 0.015 0.000 2.389 150 D HA 0.249 4.890 4.640 0.001 0.000 0.247 150 D C 1.473 177.783 176.300 0.015 0.000 1.128 150 D CA 0.278 54.289 54.000 0.019 0.000 0.884 150 D CB 1.440 42.253 40.800 0.022 0.000 1.194 150 D HN 0.319 nan 8.370 nan 0.000 0.441 151 T N -1.279 113.285 114.554 0.017 0.000 3.081 151 T HA 0.224 4.574 4.350 0.001 0.000 0.255 151 T C 0.862 175.571 174.700 0.014 0.000 1.113 151 T CA 0.215 62.324 62.100 0.014 0.000 1.082 151 T CB -0.056 68.822 68.868 0.016 0.000 0.939 151 T HN 0.501 nan 8.240 nan 0.000 0.506 152 R N 1.344 121.854 120.500 0.016 0.000 2.604 152 R HA 0.726 5.066 4.340 0.001 0.000 0.270 152 R C -3.393 172.917 176.300 0.017 0.000 1.052 152 R CA -1.825 54.284 56.100 0.015 0.000 0.902 152 R CB -0.387 29.922 30.300 0.015 0.000 1.233 152 R HN 0.260 nan 8.270 nan 0.000 0.455 153 P HA 0.251 nan 4.420 nan 0.000 0.271 153 P C -1.148 176.164 177.300 0.020 0.000 1.244 153 P CA -0.078 63.035 63.100 0.021 0.000 0.793 153 P CB 0.597 32.310 31.700 0.023 0.000 0.984 154 K N 0.642 121.053 120.400 0.020 0.000 2.668 154 K HA 0.404 4.725 4.320 0.001 0.000 0.246 154 K C -0.485 176.118 176.600 0.005 0.000 0.976 154 K CA -0.387 55.908 56.287 0.014 0.000 0.902 154 K CB 2.109 34.620 32.500 0.019 0.000 1.172 154 K HN 0.444 nan 8.250 nan 0.000 0.452 155 E N 1.957 122.159 120.200 0.003 0.000 2.392 155 E HA 0.647 4.997 4.350 0.001 0.000 0.269 155 E C -1.847 174.745 176.600 -0.014 0.000 0.924 155 E CA -1.122 55.273 56.400 -0.008 0.000 0.784 155 E CB 2.646 32.358 29.700 0.019 0.000 1.292 155 E HN 0.205 nan 8.360 nan 0.000 0.447 156 V N 2.836 122.731 119.914 -0.031 0.000 2.823 156 V HA 0.481 4.602 4.120 0.001 0.000 0.296 156 V C -1.817 174.262 176.094 -0.024 0.000 1.250 156 V CA -0.463 61.830 62.300 -0.012 0.000 0.939 156 V CB 1.777 33.609 31.823 0.016 0.000 1.062 156 V HN 0.682 nan 8.190 nan 0.000 0.433 157 R N 4.239 124.729 120.500 -0.016 0.000 2.637 157 R HA 0.903 5.243 4.340 0.001 0.000 0.291 157 R C -1.569 174.729 176.300 -0.004 0.000 0.963 157 R CA -0.745 55.342 56.100 -0.021 0.000 0.901 157 R CB 2.456 32.747 30.300 -0.015 0.000 1.160 157 R HN 0.521 nan 8.270 nan 0.000 0.457 158 V N 1.246 121.159 119.914 -0.001 0.000 2.733 158 V HA 0.440 4.561 4.120 0.001 0.000 0.306 158 V C -0.210 175.896 176.094 0.020 0.000 1.084 158 V CA -0.726 61.574 62.300 0.000 0.000 0.905 158 V CB 1.874 33.682 31.823 -0.024 0.000 1.010 158 V HN 1.024 nan 8.190 nan 0.000 0.424 159 S N 3.114 118.829 115.700 0.025 0.000 2.525 159 S HA 0.871 5.342 4.470 0.001 0.000 0.278 159 S C -0.540 174.091 174.600 0.052 0.000 1.234 159 S CA -0.517 57.710 58.200 0.045 0.000 1.058 159 S CB 1.080 64.303 63.200 0.039 0.000 0.983 159 S HN 0.788 nan 8.310 nan 0.000 0.495 160 V N 0.630 120.595 119.914 0.085 0.000 2.851 160 V HA 0.718 4.839 4.120 0.001 0.000 0.307 160 V C 1.039 177.200 176.094 0.111 0.000 1.129 160 V CA -0.215 62.147 62.300 0.103 0.000 0.932 160 V CB 0.871 32.792 31.823 0.163 0.000 1.024 160 V HN 1.768 nan 8.190 nan 0.000 0.426 161 G N 1.768 110.621 108.800 0.088 0.000 2.453 161 G HA2 0.045 4.005 3.960 0.001 0.000 0.313 161 G HA3 0.045 4.005 3.960 0.001 0.000 0.313 161 G C 1.421 176.360 174.900 0.066 0.000 0.948 161 G CA 1.882 47.026 45.100 0.073 0.000 0.846 161 G HN 2.613 nan 8.290 nan 0.000 0.512 162 G N -2.035 106.805 108.800 0.066 0.000 2.284 162 G HA2 0.167 4.128 3.960 0.001 0.000 0.230 162 G HA3 0.167 4.128 3.960 0.001 0.000 0.230 162 G C 0.924 175.868 174.900 0.074 0.000 1.021 162 G CA 1.158 46.294 45.100 0.059 0.000 0.619 162 G HN 2.114 nan 8.290 nan 0.000 0.510 163 A N -0.320 122.557 122.820 0.095 0.000 2.249 163 A HA 0.789 5.109 4.320 0.001 0.000 0.281 163 A C 0.378 178.042 177.584 0.133 0.000 1.127 163 A CA 1.148 53.257 52.037 0.120 0.000 0.833 163 A CB 0.643 19.729 19.000 0.142 0.000 1.140 163 A HN 0.850 nan 8.150 nan 0.000 0.502 164 T N 0.322 114.968 114.554 0.154 0.000 2.881 164 T HA 0.503 4.853 4.350 0.001 0.000 0.290 164 T C -1.202 173.587 174.700 0.148 0.000 1.000 164 T CA -0.199 61.979 62.100 0.129 0.000 0.978 164 T CB 1.122 70.054 68.868 0.106 0.000 0.997 164 T HN 0.620 nan 8.240 nan 0.000 0.443 165 L N 4.773 126.059 121.223 0.104 0.000 2.341 165 L HA 0.855 5.196 4.340 0.001 0.000 0.278 165 L C -1.250 175.612 176.870 -0.014 0.000 1.005 165 L CA -0.448 54.449 54.840 0.095 0.000 0.818 165 L CB 1.346 43.439 42.059 0.056 0.000 1.259 165 L HN 0.463 nan 8.230 nan 0.000 0.418 166 V N 3.539 123.383 119.914 -0.118 0.000 2.823 166 V HA 0.978 5.098 4.120 0.001 0.000 0.312 166 V C 0.176 176.129 176.094 -0.235 0.000 1.072 166 V CA -0.266 61.859 62.300 -0.292 0.000 0.937 166 V CB 1.696 33.056 31.823 -0.772 0.000 1.013 166 V HN 0.961 nan 8.190 nan 0.000 0.430 167 G N 2.946 111.597 108.800 -0.250 0.000 2.719 167 G HA2 0.794 4.755 3.960 0.001 0.000 0.298 167 G HA3 0.794 4.755 3.960 0.001 0.000 0.298 167 G C -1.439 173.250 174.900 -0.352 0.000 1.411 167 G CA -0.574 44.229 45.100 -0.496 0.000 0.991 167 G HN 1.021 nan 8.290 nan 0.000 0.509 168 I N -0.829 119.532 120.570 -0.349 0.000 2.619 168 I HA 0.936 5.106 4.170 0.001 0.000 0.292 168 I C -0.223 175.781 176.117 -0.187 0.000 1.100 168 I CA -1.226 59.994 61.300 -0.134 0.000 1.043 168 I CB 2.272 40.304 38.000 0.053 0.000 1.239 168 I HN 0.787 nan 8.210 nan 0.000 0.420 169 A N 4.865 127.621 122.820 -0.107 0.000 2.530 169 A HA 0.977 5.297 4.320 0.001 0.000 0.288 169 A C -1.161 176.404 177.584 -0.033 0.000 1.172 169 A CA -0.575 51.389 52.037 -0.121 0.000 0.733 169 A CB 2.137 21.120 19.000 -0.027 0.000 1.320 169 A HN 0.880 nan 8.150 nan 0.000 0.419 170 K N -0.129 120.249 120.400 -0.036 0.000 2.597 170 K HA 0.626 4.946 4.320 0.001 0.000 0.282 170 K C -0.840 175.764 176.600 0.008 0.000 0.975 170 K CA 0.339 56.629 56.287 0.005 0.000 0.867 170 K CB 1.281 33.794 32.500 0.021 0.000 1.465 170 K HN 2.646 nan 8.250 nan 0.000 0.417 171 G N 0.582 109.399 108.800 0.028 0.000 3.313 171 G HA2 0.152 4.113 3.960 0.001 0.000 0.659 171 G HA3 0.152 4.113 3.960 0.001 0.000 0.659 171 G C -0.315 174.617 174.900 0.053 0.000 1.286 171 G CA -0.170 44.951 45.100 0.036 0.000 1.077 171 G HN 1.364 nan 8.290 nan 0.000 0.551 172 V N -0.124 119.822 119.914 0.054 0.000 3.392 172 V HA 0.810 4.930 4.120 0.001 0.000 0.294 172 V C 0.879 177.028 176.094 0.090 0.000 1.561 172 V CA 1.192 63.534 62.300 0.069 0.000 1.056 172 V CB 0.458 32.316 31.823 0.058 0.000 0.882 172 V HN 2.075 nan 8.190 nan 0.000 0.440 176 E N 6.237 126.478 120.200 0.068 0.000 2.762 176 E HA 0.302 4.653 4.350 0.001 0.000 0.384 176 E C -2.837 173.799 176.600 0.061 0.000 1.086 176 E CA -0.981 55.457 56.400 0.063 0.000 0.769 176 E CB 1.228 30.956 29.700 0.046 0.000 1.560 176 E HN 0.247 nan 8.360 nan 0.000 0.384 177 P HA 0.199 nan 4.420 nan 0.000 0.271 177 P C -0.670 176.661 177.300 0.053 0.000 1.218 177 P CA 0.150 63.289 63.100 0.064 0.000 0.780 177 P CB 1.166 32.911 31.700 0.076 0.000 0.901 181 T N 1.980 116.559 114.554 0.042 0.000 2.837 181 T HA 0.567 4.918 4.350 0.001 0.000 0.285 181 T C -0.485 174.229 174.700 0.023 0.000 0.984 181 T CA -0.260 61.863 62.100 0.038 0.000 1.049 181 T CB 1.807 70.702 68.868 0.044 0.000 0.947 181 T HN 0.483 nan 8.240 nan 0.000 0.472 182 L N 4.965 126.191 121.223 0.004 0.000 2.298 182 L HA 0.569 4.910 4.340 0.001 0.000 0.284 182 L C -1.516 175.277 176.870 -0.130 0.000 1.013 182 L CA -0.649 54.164 54.840 -0.045 0.000 0.824 182 L CB 0.363 42.406 42.059 -0.027 0.000 1.221 182 L HN 0.644 nan 8.230 nan 0.000 0.418 183 L N 4.900 126.012 121.223 -0.184 0.000 2.333 183 L HA 0.535 4.875 4.340 0.001 0.000 0.280 183 L C -0.206 176.295 176.870 -0.615 0.000 1.004 183 L CA -0.250 54.378 54.840 -0.354 0.000 0.820 183 L CB 2.081 44.068 42.059 -0.120 0.000 1.247 183 L HN 0.636 nan 8.230 nan 0.000 0.416 184 T N 2.988 116.939 114.554 -1.004 0.000 3.032 184 T HA 0.691 5.041 4.350 0.001 0.000 0.312 184 T C -1.375 172.648 174.700 -1.128 0.000 1.078 184 T CA -0.271 61.249 62.100 -0.966 0.000 1.028 184 T CB 0.716 69.008 68.868 -0.960 0.000 1.091 184 T HN 0.206 nan 8.240 nan 0.000 0.457 185 F N 3.709 123.491 119.950 -0.280 0.000 2.551 185 F HA 0.770 5.298 4.527 0.000 0.000 0.316 185 F C -0.720 174.900 175.800 -0.300 0.000 1.089 185 F CA -1.130 56.804 58.000 -0.111 0.000 0.915 185 F CB 1.569 40.593 39.000 0.041 0.000 1.186 185 F HN 0.434 nan 8.300 nan 0.000 0.456 186 F N 1.512 121.584 119.950 0.205 0.000 2.540 186 F HA 0.806 5.333 4.527 0.000 0.000 0.317 186 F C -0.117 175.725 175.800 0.070 0.000 1.104 186 F CA -0.923 57.135 58.000 0.097 0.000 0.913 186 F CB 2.115 41.181 39.000 0.110 0.000 1.170 186 F HN 0.592 nan 8.300 nan 0.000 0.450 187 A N 1.709 124.541 122.820 0.020 0.000 2.422 187 A HA 0.827 5.148 4.320 0.001 0.000 0.302 187 A C -0.832 176.617 177.584 -0.224 0.000 1.041 187 A CA -0.640 51.182 52.037 -0.359 0.000 0.708 187 A CB 1.984 20.340 19.000 -1.073 0.000 1.257 187 A HN 0.692 nan 8.150 nan 0.000 0.414 188 T N -0.130 114.470 114.554 0.076 0.000 2.853 188 T HA 0.489 4.839 4.350 0.001 0.000 0.311 188 T C -1.181 173.827 174.700 0.513 0.000 1.307 188 T CA -0.029 62.269 62.100 0.330 0.000 1.019 188 T CB 1.300 70.403 68.868 0.391 0.000 1.264 188 T HN 0.641 nan 8.240 nan 0.000 0.497 189 D N 1.319 121.943 120.400 0.373 0.000 2.388 189 D HA 0.426 5.066 4.640 0.001 0.000 0.221 189 D C 0.815 177.189 176.300 0.123 0.000 1.133 189 D CA -0.288 53.855 54.000 0.239 0.000 0.831 189 D CB -0.069 40.835 40.800 0.172 0.000 0.962 189 D HN 0.645 nan 8.370 nan 0.000 0.502 190 A N 0.923 123.799 122.820 0.094 0.000 2.445 190 A HA 0.309 4.629 4.320 0.001 0.000 0.242 190 A C 0.346 177.872 177.584 -0.096 0.000 1.075 190 A CA -0.479 51.534 52.037 -0.040 0.000 0.777 190 A CB 0.289 19.148 19.000 -0.235 0.000 1.013 190 A HN 0.229 nan 8.150 nan 0.000 0.493 191 R N 2.319 122.766 120.500 -0.090 0.000 2.246 191 R HA 0.587 4.927 4.340 0.001 0.000 0.332 191 R C -1.432 174.797 176.300 -0.119 0.000 0.974 191 R CA -0.269 55.784 56.100 -0.078 0.000 0.837 191 R CB 0.208 30.487 30.300 -0.035 0.000 1.145 191 R HN 0.721 nan 8.270 nan 0.000 0.467 192 L N 2.203 123.341 121.223 -0.141 0.000 2.319 192 L HA 0.406 4.747 4.340 0.001 0.000 0.267 192 L C -0.370 176.459 176.870 -0.068 0.000 1.011 192 L CA -1.217 53.541 54.840 -0.137 0.000 0.818 192 L CB 1.879 43.802 42.059 -0.228 0.000 1.316 192 L HN 0.597 nan 8.230 nan 0.000 0.432 193 D N 1.160 121.535 120.400 -0.042 0.000 2.351 193 D HA 0.171 4.812 4.640 0.001 0.000 0.251 193 D C -1.864 174.427 176.300 -0.014 0.000 1.137 193 D CA -1.297 52.691 54.000 -0.018 0.000 0.879 193 D CB 1.548 42.345 40.800 -0.005 0.000 1.181 193 D HN 0.136 nan 8.370 nan 0.000 0.448 194 P HA -0.245 nan 4.420 nan 0.000 0.213 194 P C 1.047 178.351 177.300 0.008 0.000 1.176 194 P CA 2.316 65.415 63.100 -0.002 0.000 0.919 194 P CB -0.029 31.674 31.700 0.005 0.000 0.791 195 A N -0.625 122.204 122.820 0.014 0.000 1.986 195 A HA -0.294 4.027 4.320 0.001 0.000 0.220 195 A C 2.103 179.705 177.584 0.030 0.000 1.171 195 A CA 2.084 54.134 52.037 0.022 0.000 0.640 195 A CB -1.213 17.799 19.000 0.020 0.000 0.811 195 A HN 0.263 nan 8.150 nan 0.000 0.451 196 E N -1.204 119.012 120.200 0.026 0.000 2.033 196 E HA -0.182 4.168 4.350 0.001 0.000 0.189 196 E C 2.257 178.891 176.600 0.057 0.000 0.979 196 E CA 0.856 57.279 56.400 0.038 0.000 0.802 196 E CB -0.247 29.471 29.700 0.030 0.000 0.763 196 E HN 0.771 nan 8.360 nan 0.000 0.449 197 Q N 0.981 120.803 119.800 0.037 0.000 2.156 197 Q HA -0.284 4.056 4.340 0.001 0.000 0.211 197 Q C 1.363 177.427 176.000 0.108 0.000 0.995 197 Q CA 2.057 57.893 55.803 0.055 0.000 0.877 197 Q CB 0.001 28.731 28.738 -0.013 0.000 0.920 197 Q HN 0.196 nan 8.270 nan 0.000 0.416 198 D N -0.269 120.178 120.400 0.077 0.000 2.084 198 D HA -0.153 4.487 4.640 0.001 0.000 0.194 198 D C 2.006 178.387 176.300 0.134 0.000 0.990 198 D CA 1.332 55.396 54.000 0.107 0.000 0.826 198 D CB -0.252 40.588 40.800 0.066 0.000 0.971 198 D HN 0.330 nan 8.370 nan 0.000 0.453 199 R N 0.280 120.835 120.500 0.092 0.000 2.120 199 R HA -0.047 4.294 4.340 0.001 0.000 0.234 199 R C 2.478 178.828 176.300 0.084 0.000 1.123 199 R CA 0.329 56.474 56.100 0.076 0.000 0.975 199 R CB -0.366 29.967 30.300 0.056 0.000 0.866 199 R HN 0.220 nan 8.270 nan 0.000 0.446 200 L N 0.029 121.319 121.223 0.113 0.000 1.988 200 L HA -0.168 4.172 4.340 0.001 0.000 0.207 200 L C 2.253 179.197 176.870 0.122 0.000 1.071 200 L CA 1.303 56.217 54.840 0.124 0.000 0.744 200 L CB -0.340 41.827 42.059 0.179 0.000 0.893 200 L HN 0.040 nan 8.230 nan 0.000 0.433 201 F N 0.937 120.894 119.950 0.011 0.000 2.065 201 F HA -0.347 4.181 4.527 0.000 0.000 0.298 201 F C 2.874 178.648 175.800 -0.044 0.000 1.112 201 F CA 2.676 60.654 58.000 -0.036 0.000 1.212 201 F CB -0.922 38.054 39.000 -0.040 0.000 0.975 201 F HN 0.062 nan 8.300 nan 0.000 0.476 202 R N 0.690 121.175 120.500 -0.026 0.000 2.083 202 R HA -0.159 4.182 4.340 0.001 0.000 0.237 202 R C 2.334 178.554 176.300 -0.133 0.000 1.137 202 R CA 1.978 58.012 56.100 -0.110 0.000 0.951 202 R CB -1.583 28.729 30.300 0.021 0.000 0.851 202 R HN 0.471 nan 8.270 nan 0.000 0.434 203 R N -0.254 120.208 120.500 -0.065 0.000 2.083 203 R HA -0.025 4.315 4.340 0.001 0.000 0.237 203 R C 1.406 177.657 176.300 -0.083 0.000 1.137 203 R CA 1.337 57.415 56.100 -0.037 0.000 0.951 203 R CB -0.825 29.478 30.300 0.005 0.000 0.851 203 R HN 0.377 nan 8.270 nan 0.000 0.434 207 R N 0.755 121.268 120.500 0.021 0.000 2.312 207 R HA 0.252 4.593 4.340 0.001 0.000 0.205 207 R C 1.444 177.676 176.300 -0.113 0.000 0.904 207 R CA 1.156 57.235 56.100 -0.034 0.000 1.052 207 R CB 0.593 30.844 30.300 -0.080 0.000 1.014 207 R HN 0.435 nan 8.270 nan 0.000 0.503 208 T N -2.957 111.488 114.554 -0.182 0.000 3.479 208 T HA 0.130 4.480 4.350 0.001 0.000 0.197 208 T C 1.638 176.173 174.700 -0.276 0.000 0.912 208 T CA -0.115 61.779 62.100 -0.343 0.000 1.281 208 T CB -0.616 67.875 68.868 -0.629 0.000 1.588 208 T HN -0.083 nan 8.240 nan 0.000 0.389 209 F N 2.600 122.504 119.950 -0.075 0.000 2.234 209 F HA 0.233 4.760 4.527 0.000 0.000 0.299 209 F C 2.159 177.956 175.800 -0.005 0.000 1.087 209 F CA 0.611 58.589 58.000 -0.037 0.000 1.340 209 F CB -0.739 38.227 39.000 -0.057 0.000 1.031 209 F HN 0.195 nan 8.300 nan 0.000 0.500 210 N N -0.178 118.612 118.700 0.150 0.000 2.449 210 N HA 0.115 4.855 4.740 0.001 0.000 0.191 210 N C 0.976 176.561 175.510 0.125 0.000 1.161 210 N CA 0.618 53.732 53.050 0.106 0.000 0.863 210 N CB 0.093 38.618 38.487 0.064 0.000 0.980 210 N HN 0.208 nan 8.380 nan 0.000 0.458 211 A N -0.817 122.100 122.820 0.161 0.000 2.603 211 A HA 0.260 4.580 4.320 0.001 0.000 0.277 211 A C 0.045 177.758 177.584 0.215 0.000 1.158 211 A CA -0.242 51.937 52.037 0.236 0.000 0.962 211 A CB 0.591 19.816 19.000 0.375 0.000 1.189 211 A HN 0.028 nan 8.150 nan 0.000 0.552 212 V N 0.108 120.120 119.914 0.163 0.000 2.581 212 V HA 0.786 4.907 4.120 0.001 0.000 0.303 212 V C -0.645 175.518 176.094 0.116 0.000 1.041 212 V CA -0.133 62.264 62.300 0.161 0.000 0.907 212 V CB 1.904 33.800 31.823 0.123 0.000 0.994 212 V HN 0.324 nan 8.190 nan 0.000 0.442 213 S N 6.294 122.054 115.700 0.100 0.000 2.750 213 S HA 0.458 4.929 4.470 0.001 0.000 0.276 213 S C 0.297 174.930 174.600 0.055 0.000 1.165 213 S CA -0.731 57.510 58.200 0.068 0.000 1.047 213 S CB 0.983 64.209 63.200 0.044 0.000 1.056 213 S HN 0.584 nan 8.310 nan 0.000 0.481 214 I N 3.287 123.892 120.570 0.058 0.000 2.364 214 I HA 0.129 4.299 4.170 0.001 0.000 0.241 214 I C 1.020 177.133 176.117 -0.007 0.000 1.082 214 I CA 1.066 62.395 61.300 0.049 0.000 1.401 214 I CB -0.689 37.368 38.000 0.096 0.000 1.126 214 I HN 0.776 nan 8.210 nan 0.000 0.429 215 D N -1.178 119.233 120.400 0.018 0.000 2.692 215 D HA 0.029 4.669 4.640 0.001 0.000 0.290 215 D C 0.767 177.070 176.300 0.004 0.000 1.455 215 D CA 0.716 54.700 54.000 -0.028 0.000 0.796 215 D CB -0.342 40.484 40.800 0.044 0.000 1.131 215 D HN 0.305 nan 8.370 nan 0.000 0.467 216 T N -3.161 111.400 114.554 0.011 0.000 7.714 216 T HA -0.296 4.055 4.350 0.001 0.000 0.312 216 T C -0.288 174.427 174.700 0.025 0.000 1.937 216 T CA 1.298 63.407 62.100 0.014 0.000 2.886 216 T CB -2.163 66.704 68.868 -0.001 0.000 2.426 216 T HN 0.272 nan 8.240 nan 0.000 1.226 217 D N 2.509 122.934 120.400 0.040 0.000 2.563 217 D HA 0.295 4.935 4.640 0.001 0.000 0.222 217 D C 0.170 176.495 176.300 0.042 0.000 1.145 217 D CA 0.047 54.071 54.000 0.041 0.000 1.001 217 D CB 0.783 41.615 40.800 0.054 0.000 1.049 217 D HN 0.513 nan 8.370 nan 0.000 0.515 218 T N 1.071 115.648 114.554 0.039 0.000 2.738 218 T HA -0.028 4.322 4.350 0.001 0.000 0.277 218 T C 0.916 175.644 174.700 0.047 0.000 0.981 218 T CA 0.232 62.359 62.100 0.045 0.000 1.211 218 T CB 0.314 69.208 68.868 0.044 0.000 0.932 218 T HN 0.172 nan 8.240 nan 0.000 0.522 219 S N 2.955 118.686 115.700 0.051 0.000 2.576 219 S HA 0.047 4.517 4.470 0.001 0.000 0.272 219 S C 1.744 176.384 174.600 0.067 0.000 1.352 219 S CA 0.019 58.250 58.200 0.052 0.000 1.021 219 S CB 0.476 63.707 63.200 0.052 0.000 0.887 219 S HN 0.849 nan 8.310 nan 0.000 0.542 220 T N 0.375 114.972 114.554 0.071 0.000 3.148 220 T HA 0.153 4.504 4.350 0.001 0.000 0.253 220 T C 0.973 175.731 174.700 0.097 0.000 1.134 220 T CA 0.606 62.765 62.100 0.099 0.000 1.051 220 T CB -0.146 68.789 68.868 0.111 0.000 0.959 220 T HN 0.426 nan 8.240 nan 0.000 0.525 221 S N 0.592 116.345 115.700 0.088 0.000 2.733 221 S HA 0.198 4.668 4.470 0.001 0.000 0.247 221 S C -0.354 174.311 174.600 0.107 0.000 1.043 221 S CA -0.619 57.640 58.200 0.098 0.000 1.066 221 S CB 0.189 63.444 63.200 0.092 0.000 1.045 221 S HN 0.422 nan 8.310 nan 0.000 0.586 222 D N 4.169 124.623 120.400 0.089 0.000 2.662 222 D HA 0.091 4.731 4.640 0.001 0.000 0.233 222 D C -0.063 176.298 176.300 0.100 0.000 1.129 222 D CA 1.178 55.215 54.000 0.061 0.000 0.851 222 D CB 0.457 41.284 40.800 0.045 0.000 1.152 222 D HN 0.203 nan 8.370 nan 0.000 0.507 223 T N 0.225 114.797 114.554 0.029 0.000 2.912 223 T HA 0.734 5.084 4.350 0.001 0.000 0.299 223 T C -0.593 173.984 174.700 -0.204 0.000 1.052 223 T CA -0.940 61.198 62.100 0.063 0.000 0.996 223 T CB 2.129 71.141 68.868 0.240 0.000 1.070 223 T HN 0.350 nan 8.240 nan 0.000 0.465 224 A N 2.136 124.808 122.820 -0.247 0.000 2.402 224 A HA 0.780 5.100 4.320 0.001 0.000 0.291 224 A C -1.073 176.473 177.584 -0.063 0.000 1.051 224 A CA -0.686 51.220 52.037 -0.219 0.000 0.716 224 A CB 1.172 20.075 19.000 -0.162 0.000 1.223 224 A HN 0.735 nan 8.150 nan 0.000 0.425 225 V N 2.459 122.372 119.914 -0.002 0.000 2.841 225 V HA 0.642 4.763 4.120 0.001 0.000 0.310 225 V C -1.120 174.913 176.094 -0.101 0.000 1.090 225 V CA -0.616 61.597 62.300 -0.145 0.000 0.930 225 V CB 1.858 33.622 31.823 -0.098 0.000 1.014 225 V HN 0.960 nan 8.190 nan 0.000 0.425 226 L N 4.324 125.237 121.223 -0.517 0.000 2.342 226 L HA 0.719 5.059 4.340 0.001 0.000 0.276 226 L C -1.392 175.318 176.870 -0.267 0.000 0.997 226 L CA -0.059 54.637 54.840 -0.239 0.000 0.838 226 L CB 0.867 42.724 42.059 -0.338 0.000 1.224 226 L HN 0.430 nan 8.230 nan 0.000 0.416 227 F N 4.421 124.425 119.950 0.089 0.000 2.408 227 F HA 0.726 5.253 4.527 0.001 0.000 0.344 227 F C 0.641 176.569 175.800 0.213 0.000 1.112 227 F CA -0.182 57.908 58.000 0.149 0.000 1.096 227 F CB 1.962 41.100 39.000 0.229 0.000 1.129 227 F HN 0.667 nan 8.300 nan 0.000 0.486 228 A N 3.666 126.725 122.820 0.398 0.000 2.815 228 A HA 0.426 4.746 4.320 0.001 0.000 0.318 228 A C -0.578 177.150 177.584 0.240 0.000 1.186 228 A CA -0.942 51.272 52.037 0.295 0.000 0.754 228 A CB -0.300 18.737 19.000 0.063 0.000 1.151 228 A HN 0.747 nan 8.150 nan 0.000 0.452 229 N N 0.629 119.507 118.700 0.296 0.000 2.354 229 N HA 0.447 5.187 4.740 0.001 0.000 0.246 229 N C 0.672 176.222 175.510 0.068 0.000 1.285 229 N CA 0.215 53.318 53.050 0.089 0.000 0.925 229 N CB 0.739 39.166 38.487 -0.100 0.000 1.174 229 N HN 0.280 nan 8.380 nan 0.000 0.478 230 G N -0.577 108.233 108.800 0.016 0.000 4.222 230 G HA2 0.228 4.189 3.960 0.001 0.000 0.301 230 G HA3 0.228 4.189 3.960 0.001 0.000 0.301 230 G C 0.816 175.718 174.900 0.003 0.000 1.171 230 G CA -0.432 44.675 45.100 0.012 0.000 0.937 230 G HN 0.501 nan 8.290 nan 0.000 0.557 231 L N 0.212 121.432 121.223 -0.004 0.000 2.079 231 L HA -0.144 4.196 4.340 0.001 0.000 0.210 231 L C 2.968 179.845 176.870 0.012 0.000 1.081 231 L CA 1.565 56.399 54.840 -0.010 0.000 0.752 231 L CB -0.347 41.694 42.059 -0.030 0.000 0.896 231 L HN 0.370 nan 8.230 nan 0.000 0.433 232 A N -0.227 122.614 122.820 0.036 0.000 2.209 232 A HA 0.344 4.664 4.320 0.001 0.000 0.212 232 A C 1.271 178.873 177.584 0.031 0.000 1.158 232 A CA 0.848 52.912 52.037 0.044 0.000 0.742 232 A CB -0.519 18.525 19.000 0.073 0.000 0.790 232 A HN 0.552 nan 8.150 nan 0.000 0.472 233 G N -2.682 106.128 108.800 0.018 0.000 2.661 233 G HA2 0.429 4.389 3.960 0.001 0.000 0.685 233 G HA3 0.429 4.389 3.960 0.001 0.000 0.685 233 G C -0.278 174.624 174.900 0.004 0.000 1.298 233 G CA 0.020 45.126 45.100 0.010 0.000 0.855 233 G HN 1.377 nan 8.290 nan 0.000 0.560 234 E N -1.259 118.941 120.200 -0.001 0.000 2.442 234 E HA 0.524 4.875 4.350 0.001 0.000 0.262 234 E C 0.428 177.030 176.600 0.004 0.000 1.004 234 E CA 0.620 57.015 56.400 -0.008 0.000 0.928 234 E CB 1.287 30.984 29.700 -0.003 0.000 0.937 234 E HN 1.963 nan 8.360 nan 0.000 0.446 235 V N 2.483 122.394 119.914 -0.005 0.000 2.925 235 V HA 0.261 4.382 4.120 0.001 0.000 0.311 235 V C -0.218 175.895 176.094 0.032 0.000 1.104 235 V CA -1.040 61.276 62.300 0.028 0.000 0.954 235 V CB 2.251 34.104 31.823 0.051 0.000 1.022 235 V HN 0.992 nan 8.190 nan 0.000 0.427 236 D N 2.376 122.811 120.400 0.060 0.000 2.450 236 D HA 0.158 4.798 4.640 0.001 0.000 0.247 236 D C 1.109 177.466 176.300 0.094 0.000 1.162 236 D CA 0.619 54.655 54.000 0.061 0.000 0.879 236 D CB 2.034 42.868 40.800 0.057 0.000 1.163 236 D HN 0.697 nan 8.370 nan 0.000 0.472 237 A N 4.128 126.991 122.820 0.071 0.000 1.917 237 A HA -0.158 4.162 4.320 0.001 0.000 0.219 237 A C 2.062 179.723 177.584 0.129 0.000 1.182 237 A CA 2.010 54.105 52.037 0.098 0.000 0.633 237 A CB -0.819 18.217 19.000 0.061 0.000 0.819 237 A HN 0.699 nan 8.150 nan 0.000 0.448 238 G N -0.650 108.201 108.800 0.085 0.000 2.422 238 G HA2 -0.174 3.786 3.960 0.001 0.000 0.218 238 G HA3 -0.174 3.786 3.960 0.001 0.000 0.218 238 G C 1.423 176.365 174.900 0.070 0.000 1.146 238 G CA 0.949 46.088 45.100 0.066 0.000 0.769 238 G HN 0.694 nan 8.290 nan 0.000 0.547 239 E N -0.613 119.639 120.200 0.088 0.000 2.170 239 E HA 0.025 4.376 4.350 0.001 0.000 0.191 239 E C 2.030 178.693 176.600 0.105 0.000 0.981 239 E CA 0.149 56.596 56.400 0.077 0.000 0.830 239 E CB -0.121 29.625 29.700 0.076 0.000 0.775 239 E HN 0.449 nan 8.360 nan 0.000 0.470 240 F N 2.609 122.570 119.950 0.018 0.000 2.113 240 F HA -0.152 4.375 4.527 0.000 0.000 0.297 240 F C 2.359 178.170 175.800 0.017 0.000 1.103 240 F CA 1.752 59.766 58.000 0.022 0.000 1.248 240 F CB -0.018 38.998 39.000 0.028 0.000 0.999 240 F HN -0.094 nan 8.300 nan 0.000 0.475 241 E N 0.136 120.415 120.200 0.132 0.000 2.097 241 E HA -0.335 4.015 4.350 0.001 0.000 0.196 241 E C 2.217 178.788 176.600 -0.049 0.000 1.000 241 E CA 1.810 58.231 56.400 0.035 0.000 0.804 241 E CB -0.403 29.346 29.700 0.083 0.000 0.740 241 E HN 0.688 nan 8.360 nan 0.000 0.454 242 E N -0.297 119.880 120.200 -0.038 0.000 2.046 242 E HA -0.179 4.172 4.350 0.001 0.000 0.190 242 E C 2.006 178.557 176.600 -0.082 0.000 0.982 242 E CA 0.921 57.292 56.400 -0.048 0.000 0.800 242 E CB -0.202 29.468 29.700 -0.049 0.000 0.756 242 E HN 0.352 nan 8.360 nan 0.000 0.449 243 A N 1.295 124.027 122.820 -0.146 0.000 1.908 243 A HA -0.195 4.125 4.320 0.001 0.000 0.218 243 A C 2.165 179.583 177.584 -0.277 0.000 1.181 243 A CA 1.464 53.385 52.037 -0.194 0.000 0.627 243 A CB -0.767 18.095 19.000 -0.230 0.000 0.818 243 A HN 0.403 nan 8.150 nan 0.000 0.445 244 L N -0.814 120.128 121.223 -0.467 0.000 2.046 244 L HA -0.199 4.141 4.340 0.001 0.000 0.208 244 L C 2.385 179.095 176.870 -0.268 0.000 1.077 244 L CA 2.624 57.180 54.840 -0.474 0.000 0.747 244 L CB -0.848 40.891 42.059 -0.532 0.000 0.896 244 L HN 0.617 nan 8.230 nan 0.000 0.432 245 H N -0.754 118.170 119.070 -0.244 0.000 2.319 245 H HA -0.154 4.403 4.556 0.001 0.000 0.299 245 H C 1.919 177.151 175.328 -0.161 0.000 1.092 245 H CA 2.112 58.046 56.048 -0.190 0.000 1.302 245 H CB -0.112 29.559 29.762 -0.151 0.000 1.373 245 H HN 0.370 nan 8.280 nan 0.000 0.497 246 T N 1.103 115.695 114.554 0.064 0.000 2.635 246 T HA -0.203 4.147 4.350 0.001 0.000 0.267 246 T C 2.209 176.896 174.700 -0.022 0.000 1.040 246 T CA 1.903 64.016 62.100 0.022 0.000 1.156 246 T CB -0.760 68.100 68.868 -0.013 0.000 0.863 246 T HN 0.520 nan 8.240 nan 0.000 0.430 247 A N 1.660 124.469 122.820 -0.018 0.000 1.859 247 A HA 0.010 4.330 4.320 0.001 0.000 0.217 247 A C 2.700 180.360 177.584 0.126 0.000 1.198 247 A CA 2.368 54.454 52.037 0.082 0.000 0.629 247 A CB -1.405 17.708 19.000 0.188 0.000 0.830 247 A HN 0.548 nan 8.150 nan 0.000 0.446 248 A N -0.900 121.956 122.820 0.060 0.000 1.908 248 A HA -0.085 4.236 4.320 0.001 0.000 0.218 248 A C 2.168 179.501 177.584 -0.418 0.000 1.181 248 A CA 1.954 53.979 52.037 -0.020 0.000 0.627 248 A CB -0.608 18.261 19.000 -0.218 0.000 0.818 248 A HN 0.861 nan 8.150 nan 0.000 0.445 249 L N -0.632 120.369 121.223 -0.370 0.000 2.109 249 L HA 0.113 4.453 4.340 0.001 0.000 0.207 249 L C 2.576 179.259 176.870 -0.312 0.000 1.086 249 L CA 1.931 56.530 54.840 -0.402 0.000 0.760 249 L CB -0.827 41.082 42.059 -0.250 0.000 0.910 249 L HN 0.313 nan 8.230 nan 0.000 0.437 250 A N -0.179 122.537 122.820 -0.173 0.000 1.877 250 A HA -0.170 4.150 4.320 0.001 0.000 0.216 250 A C 2.239 179.751 177.584 -0.120 0.000 1.186 250 A CA 2.100 54.066 52.037 -0.118 0.000 0.620 250 A CB -0.911 18.059 19.000 -0.050 0.000 0.822 250 A HN 0.499 nan 8.150 nan 0.000 0.443 251 L N -0.615 120.555 121.223 -0.087 0.000 2.056 251 L HA -0.147 4.193 4.340 0.001 0.000 0.207 251 L C 2.501 179.304 176.870 -0.111 0.000 1.078 251 L CA 1.009 55.836 54.840 -0.021 0.000 0.749 251 L CB -0.632 41.533 42.059 0.177 0.000 0.901 251 L HN 0.229 nan 8.230 nan 0.000 0.433 252 V N -0.006 119.684 119.914 -0.374 0.000 2.392 252 V HA -0.306 3.815 4.120 0.001 0.000 0.249 252 V C 2.468 178.386 176.094 -0.293 0.000 1.059 252 V CA 1.766 63.813 62.300 -0.422 0.000 1.051 252 V CB -0.552 30.868 31.823 -0.671 0.000 0.658 252 V HN 0.422 nan 8.190 nan 0.000 0.455 253 K N -0.379 119.827 120.400 -0.325 0.000 2.217 253 K HA -0.141 4.179 4.320 0.001 0.000 0.202 253 K C 1.770 178.309 176.600 -0.103 0.000 1.051 253 K CA 1.471 57.614 56.287 -0.241 0.000 0.952 253 K CB -0.195 32.159 32.500 -0.243 0.000 0.736 253 K HN 0.496 nan 8.250 nan 0.000 0.453 254 D N 0.967 121.322 120.400 -0.076 0.000 2.144 254 D HA -0.092 4.549 4.640 0.001 0.000 0.200 254 D C 1.719 178.018 176.300 -0.001 0.000 0.978 254 D CA 0.880 54.865 54.000 -0.025 0.000 0.833 254 D CB 0.020 40.815 40.800 -0.009 0.000 0.961 254 D HN 0.097 nan 8.370 nan 0.000 0.470 255 I N 0.904 121.476 120.570 0.003 0.000 2.090 255 I HA -0.255 3.916 4.170 0.001 0.000 0.236 255 I C 2.314 178.455 176.117 0.040 0.000 1.064 255 I CA 1.168 62.490 61.300 0.036 0.000 1.324 255 I CB -0.346 37.695 38.000 0.068 0.000 1.044 255 I HN -0.036 nan 8.210 nan 0.000 0.399 256 A N -0.716 122.124 122.820 0.033 0.000 2.178 256 A HA -0.185 4.135 4.320 0.001 0.000 0.218 256 A C 2.367 179.984 177.584 0.055 0.000 1.157 256 A CA 1.968 54.042 52.037 0.061 0.000 0.689 256 A CB -0.527 18.531 19.000 0.097 0.000 0.787 256 A HN 0.418 nan 8.150 nan 0.000 0.465 257 S N -1.424 114.297 115.700 0.034 0.000 2.503 257 S HA -0.013 4.457 4.470 0.001 0.000 0.217 257 S C 1.145 175.767 174.600 0.036 0.000 0.999 257 S CA 0.771 58.991 58.200 0.032 0.000 0.914 257 S CB -0.109 63.100 63.200 0.014 0.000 0.782 257 S HN 0.525 nan 8.310 nan 0.000 0.520 258 D N 1.018 121.441 120.400 0.039 0.000 2.402 258 D HA 0.274 4.914 4.640 0.001 0.000 0.216 258 D C 0.743 177.076 176.300 0.056 0.000 1.128 258 D CA -0.033 53.992 54.000 0.041 0.000 0.833 258 D CB 0.113 40.934 40.800 0.034 0.000 0.971 258 D HN 0.374 nan 8.370 nan 0.000 0.503 259 G N 1.046 109.886 108.800 0.068 0.000 2.257 259 G HA2 -0.112 3.848 3.960 0.001 0.000 0.235 259 G HA3 -0.112 3.848 3.960 0.001 0.000 0.235 259 G C 0.122 175.088 174.900 0.110 0.000 1.225 259 G CA -0.189 44.967 45.100 0.094 0.000 0.878 259 G HN 0.265 nan 8.290 nan 0.000 0.505 260 E N 1.218 121.501 120.200 0.139 0.000 2.752 260 E HA 0.169 4.520 4.350 0.001 0.000 0.241 260 E C 1.456 178.156 176.600 0.166 0.000 1.016 260 E CA 0.995 57.463 56.400 0.113 0.000 0.952 260 E CB 0.099 29.825 29.700 0.044 0.000 0.921 260 E HN 1.002 nan 8.360 nan 0.000 0.515 261 G N 2.742 111.598 108.800 0.094 0.000 2.196 261 G HA2 -0.380 3.580 3.960 0.001 0.000 0.268 261 G HA3 -0.380 3.580 3.960 0.001 0.000 0.268 261 G C 0.474 175.433 174.900 0.099 0.000 0.975 261 G CA 0.222 45.379 45.100 0.094 0.000 0.648 261 G HN 0.797 nan 8.290 nan 0.000 0.538 262 A N -0.440 122.442 122.820 0.102 0.000 2.462 262 A HA 0.818 5.138 4.320 0.001 0.000 0.243 262 A C 1.352 178.988 177.584 0.086 0.000 1.076 262 A CA 1.008 53.099 52.037 0.089 0.000 0.773 262 A CB 0.772 19.820 19.000 0.080 0.000 1.010 262 A HN 1.690 nan 8.150 nan 0.000 0.493 263 A N 2.364 125.247 122.820 0.104 0.000 2.011 263 A HA 0.287 4.607 4.320 0.001 0.000 0.204 263 A C 0.953 178.567 177.584 0.051 0.000 1.520 263 A CA 0.638 52.724 52.037 0.083 0.000 0.819 263 A CB -0.006 19.059 19.000 0.108 0.000 1.087 263 A HN 0.766 nan 8.150 nan 0.000 0.526 264 K N -0.244 120.188 120.400 0.053 0.000 2.139 264 K HA 0.699 5.019 4.320 0.001 0.000 0.243 264 K C -1.209 175.417 176.600 0.044 0.000 0.983 264 K CA -0.629 55.673 56.287 0.026 0.000 0.890 264 K CB 1.814 34.312 32.500 -0.002 0.000 1.090 264 K HN 0.279 nan 8.250 nan 0.000 0.445 265 L N 1.284 122.532 121.223 0.042 0.000 2.329 265 L HA 0.522 4.862 4.340 0.001 0.000 0.279 265 L C -1.276 175.644 176.870 0.083 0.000 1.014 265 L CA -0.717 54.165 54.840 0.069 0.000 0.814 265 L CB 1.042 43.145 42.059 0.074 0.000 1.257 265 L HN 0.574 nan 8.230 nan 0.000 0.424 266 I N 4.065 124.693 120.570 0.097 0.000 2.404 266 I HA 0.434 4.604 4.170 0.001 0.000 0.293 266 I C -0.548 175.618 176.117 0.082 0.000 0.992 266 I CA -0.401 60.955 61.300 0.092 0.000 1.149 266 I CB 1.840 39.886 38.000 0.076 0.000 1.315 266 I HN 0.629 nan 8.210 nan 0.000 0.446 267 E N 5.873 126.105 120.200 0.054 0.000 2.191 267 E HA 0.532 4.882 4.350 0.001 0.000 0.263 267 E C -1.708 174.832 176.600 -0.100 0.000 0.881 267 E CA -0.626 55.721 56.400 -0.088 0.000 0.757 267 E CB 1.986 31.692 29.700 0.010 0.000 1.147 267 E HN 0.378 nan 8.360 nan 0.000 0.414 268 V N 5.039 124.844 119.914 -0.181 0.000 2.357 268 V HA 0.249 4.369 4.120 0.001 0.000 0.284 268 V C -0.502 175.516 176.094 -0.126 0.000 1.018 268 V CA -0.678 61.558 62.300 -0.107 0.000 0.841 268 V CB 1.407 33.190 31.823 -0.066 0.000 0.991 268 V HN 0.706 nan 8.190 nan 0.000 0.437 269 Q N 3.793 123.537 119.800 -0.093 0.000 2.400 269 Q HA 0.568 4.908 4.340 0.001 0.000 0.255 269 Q C -0.991 174.980 176.000 -0.048 0.000 1.008 269 Q CA -0.435 55.320 55.803 -0.079 0.000 0.841 269 Q CB 2.302 30.995 28.738 -0.075 0.000 1.220 269 Q HN 0.602 nan 8.270 nan 0.000 0.474 270 V N 2.591 122.496 119.914 -0.015 0.000 2.435 270 V HA 0.582 4.702 4.120 0.001 0.000 0.290 270 V C 0.228 176.327 176.094 0.009 0.000 1.030 270 V CA -0.441 61.859 62.300 0.000 0.000 0.881 270 V CB 1.511 33.348 31.823 0.023 0.000 0.983 270 V HN 0.895 nan 8.190 nan 0.000 0.445 271 T N 0.222 114.774 114.554 -0.004 0.000 2.896 271 T HA 0.713 5.063 4.350 0.001 0.000 0.297 271 T C 0.580 175.278 174.700 -0.004 0.000 1.108 271 T CA 0.096 62.194 62.100 -0.003 0.000 1.004 271 T CB 1.881 70.738 68.868 -0.017 0.000 1.159 271 T HN 1.770 nan 8.240 nan 0.000 0.499 272 G N 0.136 108.936 108.800 -0.001 0.000 2.175 272 G HA2 0.127 4.088 3.960 0.001 0.000 0.244 272 G HA3 0.127 4.088 3.960 0.001 0.000 0.244 272 G C 0.483 175.384 174.900 0.002 0.000 0.982 272 G CA 0.039 45.137 45.100 -0.002 0.000 0.641 272 G HN 1.556 nan 8.290 nan 0.000 0.527 273 A N 0.271 123.096 122.820 0.008 0.000 2.366 273 A HA 0.641 4.961 4.320 0.001 0.000 0.250 273 A C 1.606 179.193 177.584 0.006 0.000 1.099 273 A CA 0.970 53.011 52.037 0.008 0.000 0.794 273 A CB 0.095 19.103 19.000 0.014 0.000 1.056 273 A HN 1.257 nan 8.150 nan 0.000 0.499 274 R N -0.528 119.974 120.500 0.002 0.000 2.237 274 R HA 0.034 4.374 4.340 0.001 0.000 0.219 274 R C -0.498 175.805 176.300 0.005 0.000 1.080 274 R CA 1.486 57.587 56.100 0.002 0.000 0.995 274 R CB -0.542 29.758 30.300 -0.001 0.000 0.875 274 R HN 0.832 nan 8.270 nan 0.000 0.462 275 D N -2.647 117.758 120.400 0.009 0.000 2.827 275 D HA 0.062 4.702 4.640 0.001 0.000 0.336 275 D C -0.724 175.595 176.300 0.030 0.000 1.374 275 D CA -0.630 53.381 54.000 0.017 0.000 0.794 275 D CB -0.012 40.794 40.800 0.011 0.000 1.364 275 D HN -0.215 nan 8.370 nan 0.000 0.464 276 D N -0.277 120.153 120.400 0.051 0.000 2.123 276 D HA -0.020 4.621 4.640 0.001 0.000 0.200 276 D C 2.062 178.370 176.300 0.013 0.000 0.976 276 D CA 1.916 55.978 54.000 0.103 0.000 0.831 276 D CB -0.534 40.369 40.800 0.171 0.000 0.974 276 D HN 0.485 nan 8.370 nan 0.000 0.469 277 A N 1.124 123.924 122.820 -0.034 0.000 1.883 277 A HA -0.270 4.051 4.320 0.001 0.000 0.217 277 A C 2.158 179.671 177.584 -0.119 0.000 1.186 277 A CA 1.956 53.927 52.037 -0.110 0.000 0.624 277 A CB -0.806 18.151 19.000 -0.071 0.000 0.822 277 A HN 0.257 nan 8.150 nan 0.000 0.444 278 Q N -0.699 119.064 119.800 -0.061 0.000 2.119 278 Q HA -0.090 4.251 4.340 0.001 0.000 0.201 278 Q C 2.171 178.144 176.000 -0.046 0.000 0.972 278 Q CA 1.362 57.134 55.803 -0.050 0.000 0.847 278 Q CB -0.322 28.401 28.738 -0.025 0.000 0.903 278 Q HN 0.608 nan 8.270 nan 0.000 0.433 279 A N 1.474 124.284 122.820 -0.016 0.000 1.902 279 A HA -0.221 4.099 4.320 0.001 0.000 0.217 279 A C 2.039 179.619 177.584 -0.007 0.000 1.181 279 A CA 1.746 53.800 52.037 0.028 0.000 0.623 279 A CB -0.548 18.520 19.000 0.113 0.000 0.818 279 A HN 0.388 nan 8.150 nan 0.000 0.443 280 K N -0.656 119.645 120.400 -0.165 0.000 2.211 280 K HA -0.101 4.219 4.320 0.001 0.000 0.203 280 K C 2.264 178.727 176.600 -0.229 0.000 1.050 280 K CA 1.104 57.145 56.287 -0.409 0.000 0.945 280 K CB -0.148 31.655 32.500 -1.162 0.000 0.732 280 K HN 0.438 nan 8.250 nan 0.000 0.451 281 R N 0.138 120.539 120.500 -0.165 0.000 2.066 281 R HA -0.074 4.266 4.340 0.001 0.000 0.232 281 R C 2.051 178.310 176.300 -0.069 0.000 1.131 281 R CA 1.405 57.440 56.100 -0.108 0.000 0.955 281 R CB -0.086 30.164 30.300 -0.083 0.000 0.851 281 R HN 0.051 nan 8.270 nan 0.000 0.432 282 V N 0.106 119.989 119.914 -0.052 0.000 2.515 282 V HA -0.114 4.007 4.120 0.001 0.000 0.250 282 V C 2.282 178.359 176.094 -0.028 0.000 1.058 282 V CA 1.860 64.140 62.300 -0.033 0.000 1.064 282 V CB -0.547 31.262 31.823 -0.023 0.000 0.675 282 V HN 0.618 nan 8.190 nan 0.000 0.461 283 G N -0.066 108.719 108.800 -0.025 0.000 2.433 283 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 283 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 283 G C 1.678 176.566 174.900 -0.020 0.000 1.186 283 G CA 0.597 45.691 45.100 -0.009 0.000 0.779 283 G HN 0.337 nan 8.290 nan 0.000 0.543 284 K N 0.281 120.662 120.400 -0.033 0.000 2.026 284 K HA -0.055 4.265 4.320 0.001 0.000 0.208 284 K C 2.726 179.312 176.600 -0.024 0.000 1.048 284 K CA 1.425 57.696 56.287 -0.027 0.000 0.929 284 K CB -1.147 31.328 32.500 -0.041 0.000 0.713 284 K HN 0.256 nan 8.250 nan 0.000 0.439 285 T N 1.676 116.212 114.554 -0.029 0.000 2.737 285 T HA -0.119 4.231 4.350 0.001 0.000 0.269 285 T C 2.071 176.761 174.700 -0.017 0.000 1.040 285 T CA 1.461 63.547 62.100 -0.024 0.000 1.142 285 T CB -0.208 68.644 68.868 -0.026 0.000 0.861 285 T HN -0.068 nan 8.240 nan 0.000 0.456 286 V N 0.523 120.427 119.914 -0.015 0.000 2.244 286 V HA -0.092 4.029 4.120 0.001 0.000 0.244 286 V C 2.536 178.631 176.094 0.002 0.000 1.042 286 V CA 1.204 63.501 62.300 -0.005 0.000 1.006 286 V CB -0.767 31.051 31.823 -0.007 0.000 0.641 286 V HN 0.291 nan 8.190 nan 0.000 0.446 287 V N 0.993 120.906 119.914 -0.002 0.000 2.469 287 V HA -0.220 3.901 4.120 0.001 0.000 0.251 287 V C 2.107 178.198 176.094 -0.004 0.000 1.064 287 V CA 2.230 64.533 62.300 0.003 0.000 1.066 287 V CB -0.593 31.230 31.823 0.000 0.000 0.667 287 V HN 0.630 nan 8.190 nan 0.000 0.461 288 N N -0.314 118.378 118.700 -0.012 0.000 2.424 288 N HA 0.027 4.767 4.740 0.001 0.000 0.178 288 N C 0.999 176.492 175.510 -0.029 0.000 1.060 288 N CA 0.593 53.629 53.050 -0.023 0.000 0.901 288 N CB 0.004 38.479 38.487 -0.021 0.000 0.979 288 N HN 0.400 nan 8.380 nan 0.000 0.451 289 S N 2.413 118.101 115.700 -0.020 0.000 2.555 289 S HA 0.061 4.532 4.470 0.001 0.000 0.293 289 S C -1.462 173.122 174.600 -0.027 0.000 1.248 289 S CA -1.122 57.066 58.200 -0.021 0.000 1.096 289 S CB 0.877 64.071 63.200 -0.011 0.000 0.881 289 S HN -0.004 nan 8.310 nan 0.000 0.498 290 P HA -0.074 nan 4.420 nan 0.000 0.216 290 P C 1.285 178.566 177.300 -0.032 0.000 1.150 290 P CA 0.994 64.066 63.100 -0.048 0.000 0.837 290 P CB 0.077 31.746 31.700 -0.051 0.000 0.786 291 L N -1.688 119.521 121.223 -0.024 0.000 2.275 291 L HA -0.101 4.240 4.340 0.001 0.000 0.215 291 L C 2.124 178.991 176.870 -0.005 0.000 1.119 291 L CA 0.967 55.795 54.840 -0.019 0.000 0.790 291 L CB -0.538 41.506 42.059 -0.025 0.000 0.919 291 L HN -0.085 nan 8.230 nan 0.000 0.443 292 V N -0.534 119.383 119.914 0.006 0.000 2.426 292 V HA -0.171 3.949 4.120 0.001 0.000 0.242 292 V C 2.318 178.434 176.094 0.036 0.000 1.036 292 V CA 1.270 63.591 62.300 0.035 0.000 1.044 292 V CB -0.293 31.558 31.823 0.046 0.000 0.688 292 V HN 0.332 nan 8.190 nan 0.000 0.462 293 K N 0.837 121.246 120.400 0.014 0.000 2.074 293 K HA -0.212 4.108 4.320 0.001 0.000 0.209 293 K C 2.161 178.780 176.600 0.031 0.000 1.048 293 K CA 2.162 58.455 56.287 0.011 0.000 0.926 293 K CB -0.520 31.960 32.500 -0.034 0.000 0.713 293 K HN 0.720 nan 8.250 nan 0.000 0.444 294 T N -1.263 113.301 114.554 0.017 0.000 2.942 294 T HA 0.058 4.408 4.350 0.001 0.000 0.265 294 T C 2.088 176.832 174.700 0.073 0.000 1.062 294 T CA 0.742 62.871 62.100 0.047 0.000 1.139 294 T CB -0.178 68.694 68.868 0.007 0.000 0.883 294 T HN 0.171 nan 8.240 nan 0.000 0.468 295 A N 1.593 124.431 122.820 0.030 0.000 1.858 295 A HA 0.032 4.352 4.320 0.001 0.000 0.216 295 A C 2.623 180.200 177.584 -0.013 0.000 1.190 295 A CA 1.659 53.696 52.037 0.000 0.000 0.617 295 A CB -1.266 17.728 19.000 -0.010 0.000 0.827 295 A HN 0.369 nan 8.150 nan 0.000 0.443 296 V N -0.105 119.815 119.914 0.011 0.000 2.324 296 V HA -0.333 3.788 4.120 0.001 0.000 0.250 296 V C 2.517 178.602 176.094 -0.015 0.000 1.060 296 V CA 2.680 64.976 62.300 -0.006 0.000 1.042 296 V CB -1.087 30.762 31.823 0.044 0.000 0.650 296 V HN 0.882 nan 8.190 nan 0.000 0.450 297 H N 0.848 119.900 119.070 -0.031 0.000 2.387 297 H HA -0.088 4.469 4.556 0.001 0.000 0.299 297 H C 1.895 177.202 175.328 -0.034 0.000 1.099 297 H CA 1.767 57.798 56.048 -0.028 0.000 1.315 297 H CB -0.398 29.352 29.762 -0.021 0.000 1.380 297 H HN 0.404 nan 8.280 nan 0.000 0.513 298 G N -1.573 107.145 108.800 -0.137 0.000 3.383 298 G HA2 0.080 4.040 3.960 0.001 0.000 0.251 298 G HA3 0.080 4.040 3.960 0.001 0.000 0.251 298 G C 0.418 175.230 174.900 -0.146 0.000 1.203 298 G CA 0.247 45.252 45.100 -0.159 0.000 0.852 298 G HN 0.621 nan 8.290 nan 0.000 0.531 299 C N 0.002 119.206 119.300 -0.161 0.000 4.184 299 C HA -0.167 4.294 4.460 0.001 0.000 0.295 299 C C 0.553 175.455 174.990 -0.147 0.000 1.477 299 C CA 0.374 59.305 59.018 -0.145 0.000 2.037 299 C CB -2.480 25.181 27.740 -0.132 0.000 1.282 299 C HN 0.704 nan 8.230 nan 0.000 0.783 300 D N 1.023 121.332 120.400 -0.151 0.000 2.233 300 D HA 0.414 5.055 4.640 0.001 0.000 0.240 300 D C -1.610 174.511 176.300 -0.297 0.000 1.074 300 D CA -1.748 52.151 54.000 -0.169 0.000 0.838 300 D CB 1.223 41.954 40.800 -0.115 0.000 1.124 300 D HN 0.209 nan 8.370 nan 0.000 0.475 301 P HA 0.110 nan 4.420 nan 0.000 0.214 301 P C -0.552 176.534 177.300 -0.355 0.000 1.826 301 P CA -0.441 62.095 63.100 -0.941 0.000 0.977 301 P CB -0.136 31.113 31.700 -0.752 0.000 1.930 302 N N 2.574 121.187 118.700 -0.146 0.000 2.605 302 N HA -0.030 4.711 4.740 0.001 0.000 0.282 302 N C 1.409 177.042 175.510 0.205 0.000 1.206 302 N CA -0.261 52.783 53.050 -0.010 0.000 1.074 302 N CB 0.109 38.554 38.487 -0.070 0.000 1.434 302 N HN 0.443 nan 8.380 nan 0.000 0.506 303 W N 2.370 123.879 121.300 0.349 0.000 2.392 303 W HA -0.014 4.646 4.660 0.000 0.000 0.279 303 W C 1.245 177.793 176.519 0.048 0.000 1.225 303 W CA 0.564 58.050 57.345 0.235 0.000 1.233 303 W CB -1.188 28.389 29.460 0.195 0.000 1.122 303 W HN 0.265 nan 8.180 nan 0.000 0.561 304 G N 1.909 110.324 108.800 -0.642 0.000 2.476 304 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 304 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 304 G C 1.851 176.620 174.900 -0.219 0.000 1.164 304 G CA 1.442 46.170 45.100 -0.619 0.000 0.768 304 G HN 0.270 nan 8.290 nan 0.000 0.560 305 R N -0.433 119.987 120.500 -0.133 0.000 2.115 305 R HA 0.051 4.391 4.340 0.001 0.000 0.230 305 R C 2.605 178.903 176.300 -0.003 0.000 1.111 305 R CA 0.804 56.871 56.100 -0.054 0.000 0.976 305 R CB -0.354 29.929 30.300 -0.029 0.000 0.870 305 R HN 0.309 nan 8.270 nan 0.000 0.445 306 V N 1.441 121.387 119.914 0.054 0.000 2.515 306 V HA -0.098 4.022 4.120 0.001 0.000 0.250 306 V C 1.444 177.538 176.094 -0.000 0.000 1.058 306 V CA 1.182 63.510 62.300 0.047 0.000 1.064 306 V CB -0.524 31.339 31.823 0.067 0.000 0.675 306 V HN 0.325 nan 8.190 nan 0.000 0.461 310 I N 1.659 122.214 120.570 -0.026 0.000 2.194 310 I HA -0.233 3.937 4.170 0.001 0.000 0.246 310 I C 2.470 178.573 176.117 -0.024 0.000 1.093 310 I CA 1.734 63.018 61.300 -0.027 0.000 1.355 310 I CB -0.273 37.707 38.000 -0.033 0.000 1.046 310 I HN 0.504 nan 8.210 nan 0.000 0.413 311 G N 0.581 109.366 108.800 -0.025 0.000 2.586 311 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 311 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 311 G C 1.608 176.498 174.900 -0.016 0.000 1.128 311 G CA 0.247 45.336 45.100 -0.019 0.000 0.774 311 G HN 0.372 nan 8.290 nan 0.000 0.543 312 K N -0.240 120.148 120.400 -0.019 0.000 2.217 312 K HA -0.021 4.299 4.320 0.001 0.000 0.202 312 K C 0.861 177.451 176.600 -0.017 0.000 1.051 312 K CA 0.354 56.631 56.287 -0.017 0.000 0.952 312 K CB -0.133 32.355 32.500 -0.019 0.000 0.736 312 K HN 0.247 nan 8.250 nan 0.000 0.453 313 C N 3.272 122.561 119.300 -0.018 0.000 3.183 313 C HA 0.067 4.527 4.460 0.001 0.000 0.545 313 C C 1.919 176.901 174.990 -0.014 0.000 1.044 313 C CA -0.393 58.614 59.018 -0.018 0.000 1.117 313 C CB -2.236 25.492 27.740 -0.021 0.000 1.393 313 C HN 0.401 nan 8.230 nan 0.000 0.611 314 S N -0.243 115.449 115.700 -0.012 0.000 2.474 314 S HA -0.133 4.338 4.470 0.001 0.000 0.235 314 S C 1.031 175.627 174.600 -0.008 0.000 0.997 314 S CA 1.167 59.361 58.200 -0.009 0.000 0.949 314 S CB -0.122 63.073 63.200 -0.008 0.000 0.766 314 S HN 0.672 nan 8.310 nan 0.000 0.517 315 D N 1.705 122.099 120.400 -0.010 0.000 2.349 315 D HA 0.071 4.711 4.640 0.001 0.000 0.215 315 D C -0.125 176.170 176.300 -0.009 0.000 1.016 315 D CA 0.367 54.362 54.000 -0.009 0.000 0.870 315 D CB -0.161 40.633 40.800 -0.010 0.000 0.917 315 D HN 0.476 nan 8.370 nan 0.000 0.524 316 D N 1.218 121.612 120.400 -0.010 0.000 2.713 316 D HA -0.015 4.625 4.640 0.001 0.000 0.229 316 D C 1.341 177.638 176.300 -0.005 0.000 1.136 316 D CA 0.132 54.126 54.000 -0.009 0.000 1.010 316 D CB 0.546 41.339 40.800 -0.012 0.000 1.084 316 D HN 0.156 nan 8.370 nan 0.000 0.495 317 T N -1.531 113.021 114.554 -0.004 0.000 2.969 317 T HA -0.215 4.135 4.350 0.001 0.000 0.271 317 T C 1.214 175.914 174.700 0.001 0.000 1.127 317 T CA 0.862 62.962 62.100 -0.001 0.000 1.102 317 T CB 0.039 68.906 68.868 -0.001 0.000 0.855 317 T HN 0.230 nan 8.240 nan 0.000 0.536 318 D N 0.525 120.925 120.400 -0.000 0.000 2.349 318 D HA 0.050 4.690 4.640 0.001 0.000 0.215 318 D C 0.697 176.999 176.300 0.003 0.000 1.016 318 D CA -0.280 53.721 54.000 0.001 0.000 0.870 318 D CB -0.435 40.365 40.800 -0.001 0.000 0.917 318 D HN 0.468 nan 8.370 nan 0.000 0.524 319 I N 1.734 122.306 120.570 0.002 0.000 2.436 319 I HA 0.031 4.202 4.170 0.001 0.000 0.289 319 I C 0.167 176.291 176.117 0.012 0.000 1.083 319 I CA -0.071 61.232 61.300 0.005 0.000 1.372 319 I CB 0.634 38.635 38.000 0.001 0.000 1.408 319 I HN -0.139 nan 8.210 nan 0.000 0.516 320 D N 6.176 126.588 120.400 0.019 0.000 2.303 320 D HA 0.057 4.697 4.640 0.001 0.000 0.236 320 D C 0.771 177.101 176.300 0.049 0.000 1.068 320 D CA -0.334 53.683 54.000 0.028 0.000 0.830 320 D CB 1.657 42.471 40.800 0.024 0.000 1.109 320 D HN 0.562 nan 8.370 nan 0.000 0.496 321 Q N 2.971 122.802 119.800 0.052 0.000 2.197 321 Q HA -0.233 4.107 4.340 0.001 0.000 0.211 321 Q C 0.747 176.835 176.000 0.147 0.000 0.993 321 Q CA 1.820 57.670 55.803 0.079 0.000 0.883 321 Q CB 0.211 28.990 28.738 0.069 0.000 0.916 321 Q HN 0.633 nan 8.270 nan 0.000 0.418 322 E N -1.536 118.729 120.200 0.108 0.000 2.609 322 E HA 0.141 4.492 4.350 0.001 0.000 0.208 322 E C 0.316 176.943 176.600 0.044 0.000 1.013 322 E CA -0.279 56.179 56.400 0.098 0.000 1.093 322 E CB 0.621 30.354 29.700 0.054 0.000 1.129 322 E HN 0.272 nan 8.360 nan 0.000 0.450 323 R N 0.039 120.573 120.500 0.057 0.000 2.541 323 R HA 0.231 4.571 4.340 0.001 0.000 0.332 323 R C -0.059 176.263 176.300 0.036 0.000 0.951 323 R CA -0.173 55.939 56.100 0.020 0.000 1.136 323 R CB 1.496 31.803 30.300 0.013 0.000 1.449 323 R HN -0.048 nan 8.270 nan 0.000 0.531 324 V N 1.946 121.922 119.914 0.104 0.000 2.686 324 V HA 0.271 4.391 4.120 0.001 0.000 0.295 324 V C 0.401 176.604 176.094 0.181 0.000 1.057 324 V CA -0.112 62.265 62.300 0.128 0.000 1.012 324 V CB 1.611 33.515 31.823 0.136 0.000 1.006 324 V HN 0.303 nan 8.190 nan 0.000 0.477 325 T N 2.689 117.305 114.554 0.104 0.000 2.881 325 T HA 0.768 5.118 4.350 0.001 0.000 0.290 325 T C -0.962 173.769 174.700 0.051 0.000 1.000 325 T CA -0.534 61.608 62.100 0.069 0.000 0.978 325 T CB 1.164 70.001 68.868 -0.052 0.000 0.997 325 T HN 0.322 nan 8.240 nan 0.000 0.443 326 I N 3.037 123.647 120.570 0.067 0.000 2.530 326 I HA 0.729 4.899 4.170 0.001 0.000 0.297 326 I C 0.086 176.102 176.117 -0.168 0.000 1.011 326 I CA -1.237 60.019 61.300 -0.072 0.000 1.107 326 I CB 2.096 40.060 38.000 -0.061 0.000 1.285 326 I HN 0.831 nan 8.210 nan 0.000 0.436 327 R N 3.650 123.973 120.500 -0.295 0.000 2.707 327 R HA 0.677 5.017 4.340 0.001 0.000 0.272 327 R C -2.117 173.913 176.300 -0.450 0.000 1.011 327 R CA -0.738 55.196 56.100 -0.278 0.000 0.893 327 R CB 1.531 31.744 30.300 -0.145 0.000 1.233 327 R HN 0.261 nan 8.270 nan 0.000 0.464 328 F N 1.205 121.156 119.950 0.002 0.000 2.482 328 F HA 0.622 5.149 4.527 0.001 0.000 0.331 328 F C 1.243 176.920 175.800 -0.204 0.000 1.115 328 F CA 0.668 58.666 58.000 -0.002 0.000 0.955 328 F CB 1.967 41.028 39.000 0.101 0.000 1.136 328 F HN 1.030 nan 8.300 nan 0.000 0.452 329 G N 2.989 111.582 108.800 -0.344 0.000 2.583 329 G HA2 -0.278 3.682 3.960 0.001 0.000 0.292 329 G HA3 -0.278 3.682 3.960 0.001 0.000 0.292 329 G C 0.863 175.613 174.900 -0.250 0.000 1.203 329 G CA 0.461 45.140 45.100 -0.701 0.000 0.987 329 G HN 0.509 nan 8.290 nan 0.000 0.554 330 E N -0.237 119.859 120.200 -0.173 0.000 2.431 330 E HA 0.232 4.582 4.350 0.001 0.000 0.200 330 E C 1.266 177.827 176.600 -0.066 0.000 0.995 330 E CA 0.439 56.782 56.400 -0.095 0.000 0.915 330 E CB 0.392 30.051 29.700 -0.068 0.000 0.930 330 E HN 0.396 nan 8.360 nan 0.000 0.496 331 V N 2.775 122.660 119.914 -0.048 0.000 2.521 331 V HA 0.003 4.123 4.120 0.001 0.000 0.286 331 V C 0.567 176.651 176.094 -0.017 0.000 1.034 331 V CA -0.096 62.194 62.300 -0.017 0.000 1.045 331 V CB 0.746 32.582 31.823 0.021 0.000 0.974 331 V HN 0.084 nan 8.190 nan 0.000 0.480 332 E N 3.738 123.913 120.200 -0.041 0.000 2.223 332 E HA 0.275 4.625 4.350 0.001 0.000 0.282 332 E C 0.460 177.021 176.600 -0.065 0.000 1.046 332 E CA -0.405 55.953 56.400 -0.071 0.000 0.857 332 E CB 1.319 30.960 29.700 -0.098 0.000 1.055 332 E HN 0.643 nan 8.360 nan 0.000 0.409 333 V N 2.624 122.499 119.914 -0.064 0.000 3.528 333 V HA 0.335 4.455 4.120 0.001 0.000 0.294 333 V C -0.562 175.306 176.094 -0.377 0.000 1.404 333 V CA -0.391 61.862 62.300 -0.078 0.000 1.065 333 V CB -0.494 31.451 31.823 0.203 0.000 0.904 333 V HN 0.610 nan 8.190 nan 0.000 0.435 334 Y N 0.664 120.687 120.300 -0.462 0.000 2.399 334 Y HA 0.726 5.277 4.550 0.001 0.000 0.327 334 Y C -3.241 172.450 175.900 -0.348 0.000 1.111 334 Y CA -2.480 55.248 58.100 -0.620 0.000 1.047 334 Y CB 2.537 40.615 38.460 -0.637 0.000 1.259 334 Y HN -0.002 nan 8.280 nan 0.000 0.434 335 P HA 0.181 nan 4.420 nan 0.000 0.269 335 P C -2.377 174.517 177.300 -0.678 0.000 1.209 335 P CA -0.496 61.820 63.100 -1.308 0.000 0.776 335 P CB 0.287 31.479 31.700 -0.845 0.000 0.876 345 D N 0.539 120.946 120.400 0.013 0.000 2.104 345 D HA 0.207 4.847 4.640 0.001 0.000 0.194 345 D C 2.463 178.772 176.300 0.015 0.000 0.994 345 D CA 3.716 57.725 54.000 0.015 0.000 0.830 345 D CB -0.932 39.875 40.800 0.011 0.000 0.959 345 D HN 1.247 nan 8.370 nan 0.000 0.452 346 A N -0.080 122.747 122.820 0.012 0.000 1.908 346 A HA 0.050 4.370 4.320 0.001 0.000 0.218 346 A C 2.428 180.022 177.584 0.017 0.000 1.181 346 A CA 1.562 53.606 52.037 0.012 0.000 0.627 346 A CB -0.484 18.520 19.000 0.008 0.000 0.818 346 A HN 0.539 nan 8.150 nan 0.000 0.445 347 L N -1.367 119.867 121.223 0.017 0.000 2.156 347 L HA -0.157 4.184 4.340 0.001 0.000 0.208 347 L C 3.333 180.225 176.870 0.036 0.000 1.095 347 L CA 1.048 55.902 54.840 0.023 0.000 0.770 347 L CB -0.726 41.342 42.059 0.017 0.000 0.914 347 L HN 0.559 nan 8.230 nan 0.000 0.439 348 R N 0.623 121.144 120.500 0.036 0.000 2.073 348 R HA -0.058 4.282 4.340 0.001 0.000 0.234 348 R C 2.315 178.638 176.300 0.038 0.000 1.134 348 R CA 1.587 57.714 56.100 0.044 0.000 0.952 348 R CB -1.598 28.726 30.300 0.040 0.000 0.850 348 R HN 0.456 nan 8.270 nan 0.000 0.433 349 A N 0.599 123.436 122.820 0.029 0.000 2.019 349 A HA 0.286 4.606 4.320 0.001 0.000 0.219 349 A C 2.761 180.365 177.584 0.034 0.000 1.164 349 A CA 1.690 53.742 52.037 0.025 0.000 0.644 349 A CB -0.660 18.351 19.000 0.018 0.000 0.805 349 A HN 0.919 nan 8.150 nan 0.000 0.449 350 A N -0.519 122.325 122.820 0.040 0.000 1.873 350 A HA 0.040 4.360 4.320 0.001 0.000 0.215 350 A C 2.214 179.846 177.584 0.081 0.000 1.186 350 A CA 1.691 53.759 52.037 0.051 0.000 0.616 350 A CB -0.858 18.164 19.000 0.038 0.000 0.823 350 A HN 0.348 nan 8.150 nan 0.000 0.442 351 V N -0.002 119.961 119.914 0.083 0.000 2.307 351 V HA -0.227 3.894 4.120 0.001 0.000 0.245 351 V C 3.084 179.229 176.094 0.086 0.000 1.045 351 V CA 1.862 64.232 62.300 0.117 0.000 1.024 351 V CB -1.361 30.534 31.823 0.120 0.000 0.651 351 V HN 0.609 nan 8.190 nan 0.000 0.449 352 A N -0.589 122.255 122.820 0.040 0.000 1.927 352 A HA -0.301 4.019 4.320 0.001 0.000 0.220 352 A C 2.288 179.876 177.584 0.008 0.000 1.185 352 A CA 2.165 54.204 52.037 0.004 0.000 0.639 352 A CB -0.527 18.475 19.000 0.004 0.000 0.820 352 A HN 0.511 nan 8.150 nan 0.000 0.451 353 E N -1.123 119.099 120.200 0.036 0.000 2.106 353 E HA -0.192 4.159 4.350 0.001 0.000 0.192 353 E C 1.840 178.468 176.600 0.048 0.000 0.984 353 E CA 1.463 57.883 56.400 0.033 0.000 0.806 353 E CB -0.363 29.363 29.700 0.044 0.000 0.750 353 E HN 0.855 nan 8.360 nan 0.000 0.458 354 H N 0.306 119.379 119.070 0.004 0.000 2.293 354 H HA -0.067 4.490 4.556 0.001 0.000 0.300 354 H C 2.049 177.378 175.328 0.001 0.000 1.082 354 H CA 1.686 57.745 56.048 0.018 0.000 1.308 354 H CB -0.343 29.450 29.762 0.052 0.000 1.375 354 H HN 0.047 nan 8.280 nan 0.000 0.495 355 L N 0.339 121.513 121.223 -0.083 0.000 2.450 355 L HA -0.071 4.269 4.340 0.001 0.000 0.224 355 L C 2.222 179.000 176.870 -0.153 0.000 1.149 355 L CA 1.040 55.782 54.840 -0.162 0.000 0.816 355 L CB -0.173 41.791 42.059 -0.158 0.000 0.932 355 L HN 0.278 nan 8.230 nan 0.000 0.449 356 R N -0.766 119.663 120.500 -0.117 0.000 2.240 356 R HA 0.107 4.448 4.340 0.001 0.000 0.203 356 R C 1.203 177.442 176.300 -0.102 0.000 1.011 356 R CA 0.468 56.510 56.100 -0.098 0.000 1.007 356 R CB -0.219 30.042 30.300 -0.064 0.000 0.911 356 R HN 0.351 nan 8.270 nan 0.000 0.468 357 G N 1.500 110.218 108.800 -0.136 0.000 2.621 357 G HA2 0.016 3.977 3.960 0.001 0.000 0.271 357 G HA3 0.016 3.977 3.960 0.001 0.000 0.271 357 G C -0.162 174.670 174.900 -0.113 0.000 1.236 357 G CA -0.296 44.732 45.100 -0.120 0.000 0.958 357 G HN 0.217 nan 8.290 nan 0.000 0.512 358 D N -2.262 118.095 120.400 -0.073 0.000 2.424 358 D HA 0.126 4.766 4.640 0.001 0.000 0.220 358 D C 0.181 176.464 176.300 -0.028 0.000 1.150 358 D CA -0.054 53.920 54.000 -0.044 0.000 0.831 358 D CB 0.514 41.303 40.800 -0.017 0.000 0.981 358 D HN 0.346 nan 8.370 nan 0.000 0.500 359 E N 0.649 120.815 120.200 -0.056 0.000 2.923 359 E HA 0.204 4.554 4.350 0.001 0.000 0.266 359 E C -1.181 175.396 176.600 -0.040 0.000 1.157 359 E CA -0.512 55.886 56.400 -0.004 0.000 0.795 359 E CB 1.996 31.718 29.700 0.036 0.000 1.454 359 E HN 0.009 nan 8.360 nan 0.000 0.386 360 V N 2.791 122.688 119.914 -0.028 0.000 2.432 360 V HA 0.190 4.310 4.120 0.001 0.000 0.271 360 V C 0.260 176.510 176.094 0.261 0.000 1.046 360 V CA -0.477 61.842 62.300 0.031 0.000 0.945 360 V CB 1.449 33.286 31.823 0.024 0.000 0.992 360 V HN 0.274 nan 8.190 nan 0.000 0.471 361 V N 7.095 127.323 119.914 0.523 0.000 2.394 361 V HA 0.476 4.596 4.120 0.001 0.000 0.282 361 V C -0.053 176.163 176.094 0.203 0.000 1.031 361 V CA -0.350 62.111 62.300 0.268 0.000 0.881 361 V CB 1.600 33.523 31.823 0.168 0.000 0.982 361 V HN 0.660 nan 8.190 nan 0.000 0.451 362 I N 4.437 125.053 120.570 0.076 0.000 2.382 362 I HA 0.508 4.678 4.170 0.001 0.000 0.285 362 I C 0.764 176.814 176.117 -0.112 0.000 1.007 362 I CA -0.227 61.033 61.300 -0.067 0.000 1.142 362 I CB 1.631 39.602 38.000 -0.047 0.000 1.289 362 I HN 0.709 nan 8.210 nan 0.000 0.453 363 G N 7.222 115.931 108.800 -0.152 0.000 2.377 363 G HA2 0.781 4.741 3.960 0.001 0.000 0.299 363 G HA3 0.781 4.741 3.960 0.001 0.000 0.299 363 G C -0.690 174.135 174.900 -0.125 0.000 1.150 363 G CA -0.360 44.671 45.100 -0.115 0.000 0.847 363 G HN 0.511 nan 8.290 nan 0.000 0.501 364 I N 1.330 121.850 120.570 -0.082 0.000 2.571 364 I HA 0.267 4.438 4.170 0.001 0.000 0.289 364 I C -1.418 174.676 176.117 -0.038 0.000 1.115 364 I CA -0.702 60.561 61.300 -0.063 0.000 1.045 364 I CB 2.646 40.614 38.000 -0.054 0.000 1.238 364 I HN 0.370 nan 8.210 nan 0.000 0.424 365 D N 6.591 126.975 120.400 -0.026 0.000 2.502 365 D HA 0.379 5.019 4.640 0.001 0.000 0.249 365 D C 0.282 176.579 176.300 -0.004 0.000 1.092 365 D CA -0.404 53.585 54.000 -0.018 0.000 0.839 365 D CB 2.222 43.007 40.800 -0.026 0.000 1.264 365 D HN 0.489 nan 8.370 nan 0.000 0.511 366 L N 2.915 124.137 121.223 -0.002 0.000 2.416 366 L HA 0.203 4.543 4.340 0.001 0.000 0.216 366 L C 1.251 178.123 176.870 0.003 0.000 1.098 366 L CA 0.310 55.152 54.840 0.004 0.000 0.840 366 L CB -0.189 41.871 42.059 0.002 0.000 0.981 366 L HN 0.663 nan 8.230 nan 0.000 0.462 367 A N 0.491 123.309 122.820 -0.003 0.000 2.578 367 A HA -0.204 4.117 4.320 0.001 0.000 0.298 367 A C 0.736 178.318 177.584 -0.003 0.000 1.472 367 A CA 0.938 52.971 52.037 -0.006 0.000 0.734 367 A CB -1.998 16.998 19.000 -0.008 0.000 1.091 367 A HN 0.473 nan 8.150 nan 0.000 0.426 368 I N -2.040 118.528 120.570 -0.002 0.000 3.873 368 I HA 0.528 4.699 4.170 0.001 0.000 0.284 368 I C 1.234 177.350 176.117 -0.002 0.000 1.186 368 I CA 0.799 62.098 61.300 -0.001 0.000 1.362 368 I CB 0.380 38.380 38.000 -0.000 0.000 1.432 368 I HN 0.865 nan 8.210 nan 0.000 0.454 369 A N 0.119 122.938 122.820 -0.001 0.000 3.136 369 A HA 0.550 4.870 4.320 0.001 0.000 0.299 369 A C -0.221 177.363 177.584 -0.001 0.000 1.197 369 A CA 0.419 52.455 52.037 -0.001 0.000 0.640 369 A CB -0.400 18.601 19.000 0.001 0.000 1.440 369 A HN 0.120 nan 8.150 nan 0.000 0.614 370 D N -0.135 120.265 120.400 0.001 0.000 2.328 370 D HA 0.438 5.078 4.640 0.001 0.000 0.221 370 D C 0.861 177.166 176.300 0.007 0.000 1.072 370 D CA 0.574 54.575 54.000 0.001 0.000 0.850 370 D CB -0.292 40.507 40.800 -0.001 0.000 0.922 370 D HN 1.189 nan 8.370 nan 0.000 0.516 371 G N -0.309 108.499 108.800 0.014 0.000 2.340 371 G HA2 0.521 4.482 3.960 0.001 0.000 0.245 371 G HA3 0.521 4.482 3.960 0.001 0.000 0.245 371 G C 0.029 174.953 174.900 0.039 0.000 1.294 371 G CA 0.699 45.817 45.100 0.030 0.000 0.896 371 G HN 0.992 nan 8.290 nan 0.000 0.522 372 A N 1.610 124.466 122.820 0.060 0.000 2.515 372 A HA 0.858 5.178 4.320 0.001 0.000 0.298 372 A C -1.522 176.141 177.584 0.131 0.000 1.059 372 A CA -0.619 51.454 52.037 0.060 0.000 0.698 372 A CB 1.794 20.796 19.000 0.005 0.000 1.289 372 A HN 1.105 nan 8.150 nan 0.000 0.404 373 F N 0.134 120.063 119.950 -0.035 0.000 2.688 373 F HA 0.608 5.136 4.527 0.001 0.000 0.308 373 F C -0.651 175.109 175.800 -0.066 0.000 1.117 373 F CA 0.154 58.132 58.000 -0.037 0.000 0.976 373 F CB 2.131 41.111 39.000 -0.033 0.000 1.291 373 F HN 0.564 nan 8.300 nan 0.000 0.439 374 T N 4.547 118.872 114.554 -0.381 0.000 2.861 374 T HA 0.713 5.063 4.350 0.001 0.000 0.287 374 T C -1.019 173.595 174.700 -0.143 0.000 1.003 374 T CA -0.596 61.372 62.100 -0.221 0.000 0.977 374 T CB 1.562 70.251 68.868 -0.299 0.000 0.996 374 T HN 0.563 nan 8.240 nan 0.000 0.448 375 V N 0.879 120.673 119.914 -0.199 0.000 3.113 375 V HA 0.805 4.925 4.120 0.001 0.000 0.316 375 V C -1.642 174.122 176.094 -0.551 0.000 1.125 375 V CA -1.191 61.027 62.300 -0.137 0.000 1.026 375 V CB 1.394 33.237 31.823 0.034 0.000 1.080 375 V HN 0.827 nan 8.190 nan 0.000 0.444 376 Y N -0.138 120.189 120.300 0.044 0.000 2.512 376 Y HA 0.906 5.456 4.550 0.000 0.000 0.348 376 Y C 0.640 176.555 175.900 0.025 0.000 0.990 376 Y CA 0.229 58.342 58.100 0.022 0.000 1.033 376 Y CB 2.612 41.067 38.460 -0.008 0.000 1.259 376 Y HN 1.137 nan 8.280 nan 0.000 0.461 377 G N -0.285 108.608 108.800 0.155 0.000 2.793 377 G HA2 0.608 4.568 3.960 0.001 0.000 0.248 377 G HA3 0.608 4.568 3.960 0.001 0.000 0.248 377 G C -1.262 173.690 174.900 0.087 0.000 1.198 377 G CA -0.172 44.987 45.100 0.097 0.000 0.865 377 G HN 1.203 nan 8.290 nan 0.000 0.534 378 C N -0.494 118.838 119.300 0.054 0.000 3.275 378 C HA 0.706 5.167 4.460 0.001 0.000 0.340 378 C C -1.112 173.895 174.990 0.028 0.000 1.366 378 C CA -0.299 58.749 59.018 0.051 0.000 1.227 378 C CB 1.073 28.846 27.740 0.055 0.000 1.512 378 C HN 1.065 nan 8.230 nan 0.000 0.461 379 D N 0.803 121.231 120.400 0.045 0.000 2.384 379 D HA 0.455 5.095 4.640 0.001 0.000 0.244 379 D C -0.533 175.758 176.300 -0.016 0.000 1.251 379 D CA -0.309 53.720 54.000 0.049 0.000 0.961 379 D CB 0.672 41.551 40.800 0.132 0.000 1.116 379 D HN 0.886 nan 8.370 nan 0.000 0.484 380 L N 0.374 121.559 121.223 -0.063 0.000 2.294 380 L HA 0.403 4.743 4.340 0.001 0.000 0.283 380 L C -0.031 176.668 176.870 -0.285 0.000 1.015 380 L CA -0.114 54.623 54.840 -0.171 0.000 0.831 380 L CB 1.031 42.978 42.059 -0.185 0.000 1.217 380 L HN 0.697 nan 8.230 nan 0.000 0.420 381 T N -0.086 114.315 114.554 -0.255 0.000 2.893 381 T HA 0.437 4.787 4.350 0.001 0.000 0.279 381 T C 0.703 175.281 174.700 -0.203 0.000 0.991 381 T CA -0.374 61.467 62.100 -0.432 0.000 0.950 381 T CB 0.990 69.754 68.868 -0.172 0.000 1.223 381 T HN 0.648 nan 8.240 nan 0.000 0.585 382 E N -0.062 120.039 120.200 -0.165 0.000 2.216 382 E HA 0.091 4.441 4.350 0.001 0.000 0.192 382 E C 2.253 178.856 176.600 0.004 0.000 0.988 382 E CA 0.597 56.966 56.400 -0.052 0.000 0.834 382 E CB -0.548 29.135 29.700 -0.029 0.000 0.772 382 E HN 0.868 nan 8.360 nan 0.000 0.479 383 G N 0.637 109.444 108.800 0.012 0.000 2.442 383 G HA2 -0.314 3.646 3.960 0.001 0.000 0.219 383 G HA3 -0.314 3.646 3.960 0.001 0.000 0.219 383 G C 1.365 176.292 174.900 0.046 0.000 1.141 383 G CA 0.809 45.926 45.100 0.029 0.000 0.763 383 G HN 0.302 nan 8.290 nan 0.000 0.554 384 Y N 1.220 121.495 120.300 -0.042 0.000 2.224 384 Y HA -0.109 4.442 4.550 0.000 0.000 0.289 384 Y C 2.752 178.633 175.900 -0.030 0.000 1.146 384 Y CA 1.508 59.589 58.100 -0.032 0.000 1.182 384 Y CB -0.186 38.252 38.460 -0.037 0.000 0.983 384 Y HN 0.050 nan 8.280 nan 0.000 0.524 385 V N 0.363 120.381 119.914 0.173 0.000 2.270 385 V HA -0.289 3.831 4.120 0.001 0.000 0.245 385 V C 2.439 178.527 176.094 -0.010 0.000 1.043 385 V CA 2.251 64.606 62.300 0.093 0.000 1.014 385 V CB -0.706 31.159 31.823 0.070 0.000 0.645 385 V HN 0.241 nan 8.190 nan 0.000 0.447 386 R N -0.305 120.187 120.500 -0.012 0.000 2.080 386 R HA -0.147 4.193 4.340 0.001 0.000 0.236 386 R C 2.291 178.554 176.300 -0.061 0.000 1.137 386 R CA 1.802 57.885 56.100 -0.028 0.000 0.943 386 R CB -0.596 29.695 30.300 -0.016 0.000 0.846 386 R HN 0.419 nan 8.270 nan 0.000 0.431 387 L N 0.568 121.736 121.223 -0.091 0.000 1.978 387 L HA -0.281 4.059 4.340 0.001 0.000 0.218 387 L C 1.607 178.381 176.870 -0.161 0.000 1.075 387 L CA 1.429 56.193 54.840 -0.127 0.000 0.767 387 L CB -0.545 41.412 42.059 -0.170 0.000 0.890 387 L HN 0.333 nan 8.230 nan 0.000 0.434 388 N N -0.413 118.139 118.700 -0.247 0.000 2.461 388 N HA -0.018 4.722 4.740 0.001 0.000 0.188 388 N C 1.615 177.057 175.510 -0.112 0.000 1.134 388 N CA 0.996 53.915 53.050 -0.218 0.000 0.878 388 N CB 0.290 38.560 38.487 -0.362 0.000 0.972 388 N HN 0.410 nan 8.380 nan 0.000 0.456 389 S N 0.067 115.719 115.700 -0.080 0.000 2.524 389 S HA 0.226 4.696 4.470 0.001 0.000 0.215 389 S C 0.980 175.557 174.600 -0.038 0.000 0.986 389 S CA 0.178 58.352 58.200 -0.043 0.000 0.911 389 S CB 0.116 63.301 63.200 -0.025 0.000 0.805 389 S HN 0.405 nan 8.310 nan 0.000 0.501 390 E N 0.000 120.172 120.200 -0.047 0.000 2.725 390 E HA 0.000 4.350 4.350 0.001 0.000 0.291 390 E CA 0.000 56.378 56.400 -0.036 0.000 0.976 390 E CB 0.000 29.678 29.700 -0.037 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440