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 1mp0_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANEVIKCKAA VAWEAGKPLS IEEIEVAPPK AHEVRIKIIA TAVCHTDAYT DATA SEQUENCE LSGADPEGCF PVILGHEGAG IVESVGEGVT KLKAGDTVIP LYIPQCGECK DATA SEQUENCE FCLNPKTNLC QKIRVTQGKG LMPDGTSRFT CKGKTILHYM GTSTFSEYTV DATA SEQUENCE VADISVAKID PLAPLDKVCL LGCGISTGYG AAVNTAKLEP GSVCAVFGLG DATA SEQUENCE GVGLAVIMGC KVAGASRIIG VDINKDKFAR AKEFGATECI NPQDFSKPIQ DATA SEQUENCE EVLIEMTDGG VDYSFECIGN VKVMRAALEA CHKGWGVSVV VGVAASGEEI DATA SEQUENCE ATRPFQLVTG RTWKGTAFGG WKSVESVPKL VSEYMSKKIK VDEFVTHNLS DATA SEQUENCE FDEINKAFEL MHSGKSIRTV VKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.573 177.584 -0.018 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 N N 1.302 119.990 118.700 -0.020 0.000 2.414 2 N HA 0.402 5.141 4.740 -0.001 0.000 0.256 2 N C -0.724 174.769 175.510 -0.028 0.000 1.029 2 N CA -0.496 52.538 53.050 -0.026 0.000 0.948 2 N CB 0.919 39.391 38.487 -0.025 0.000 1.102 2 N HN 0.533 nan 8.380 nan 0.000 0.496 3 E N 1.078 121.257 120.200 -0.035 0.000 2.254 3 E HA 0.259 4.609 4.350 -0.001 0.000 0.261 3 E C 0.052 176.627 176.600 -0.042 0.000 1.051 3 E CA -0.757 55.624 56.400 -0.032 0.000 0.902 3 E CB 1.691 31.373 29.700 -0.029 0.000 1.168 3 E HN 0.136 nan 8.360 nan 0.000 0.423 4 V N 1.989 121.886 119.914 -0.028 0.000 2.673 4 V HA 0.003 4.123 4.120 -0.001 0.000 0.303 4 V C 0.629 176.695 176.094 -0.045 0.000 1.046 4 V CA 0.513 62.799 62.300 -0.024 0.000 1.126 4 V CB 0.026 31.848 31.823 -0.001 0.000 0.934 4 V HN 0.421 nan 8.190 nan 0.000 0.487 5 I N 5.267 125.800 120.570 -0.061 0.000 2.377 5 I HA 0.392 4.562 4.170 -0.001 0.000 0.293 5 I C 0.126 176.227 176.117 -0.026 0.000 0.987 5 I CA -0.580 60.653 61.300 -0.112 0.000 1.185 5 I CB 1.415 39.240 38.000 -0.292 0.000 1.341 5 I HN 0.538 nan 8.210 nan 0.000 0.455 6 K N 6.219 126.613 120.400 -0.009 0.000 2.265 6 K HA 0.566 4.886 4.320 -0.001 0.000 0.267 6 K C -0.821 175.826 176.600 0.078 0.000 0.994 6 K CA -0.502 55.812 56.287 0.044 0.000 0.860 6 K CB 1.561 34.085 32.500 0.039 0.000 1.099 6 K HN 0.779 nan 8.250 nan 0.000 0.448 7 C N -0.059 119.318 119.300 0.127 0.000 3.311 7 C HA 0.576 5.036 4.460 -0.001 0.000 0.366 7 C C -0.938 174.152 174.990 0.166 0.000 1.694 7 C CA -1.199 57.931 59.018 0.187 0.000 1.244 7 C CB 1.030 28.971 27.740 0.335 0.000 2.038 7 C HN 0.869 nan 8.230 nan 0.000 0.436 8 K N 0.894 121.415 120.400 0.202 0.000 2.098 8 K HA 0.767 5.087 4.320 -0.001 0.000 0.258 8 K C -0.612 176.149 176.600 0.268 0.000 0.973 8 K CA 0.115 56.514 56.287 0.188 0.000 0.898 8 K CB 1.493 34.120 32.500 0.211 0.000 1.057 8 K HN 1.389 nan 8.250 nan 0.000 0.447 9 A N 1.582 124.485 122.820 0.139 0.000 2.589 9 A HA 0.630 4.949 4.320 -0.001 0.000 0.296 9 A C -1.675 175.878 177.584 -0.051 0.000 1.062 9 A CA -0.727 51.405 52.037 0.158 0.000 0.686 9 A CB 1.542 20.533 19.000 -0.015 0.000 1.282 9 A HN 0.720 nan 8.150 nan 0.000 0.404 10 A N 1.367 124.199 122.820 0.018 0.000 2.391 10 A HA 0.583 4.902 4.320 -0.001 0.000 0.316 10 A C -0.270 177.269 177.584 -0.075 0.000 1.381 10 A CA -0.264 51.699 52.037 -0.122 0.000 0.998 10 A CB -0.369 18.561 19.000 -0.118 0.000 1.147 10 A HN 1.262 nan 8.150 nan 0.000 0.545 11 V N 2.125 121.913 119.914 -0.210 0.000 2.481 11 V HA 0.541 4.661 4.120 -0.001 0.000 0.286 11 V C 0.747 176.631 176.094 -0.350 0.000 1.042 11 V CA -0.167 61.897 62.300 -0.393 0.000 0.928 11 V CB 1.455 32.818 31.823 -0.766 0.000 0.986 11 V HN 0.963 nan 8.190 nan 0.000 0.462 12 A N 3.983 126.648 122.820 -0.259 0.000 2.582 12 A HA 0.365 4.684 4.320 -0.001 0.000 0.336 12 A C 0.333 177.921 177.584 0.008 0.000 1.445 12 A CA -0.491 51.515 52.037 -0.052 0.000 0.997 12 A CB -0.237 18.819 19.000 0.094 0.000 1.148 12 A HN 0.999 nan 8.150 nan 0.000 0.514 13 W N 1.488 122.823 121.300 0.058 0.000 2.402 13 W HA 0.007 4.667 4.660 -0.001 0.000 0.286 13 W C 1.325 177.846 176.519 0.003 0.000 1.221 13 W CA 1.413 58.782 57.345 0.041 0.000 1.257 13 W CB 0.376 29.826 29.460 -0.017 0.000 1.120 13 W HN 0.781 nan 8.180 nan 0.000 0.551 14 E N -1.259 118.951 120.200 0.015 0.000 2.416 14 E HA 0.557 4.906 4.350 -0.001 0.000 0.280 14 E C -0.995 175.006 176.600 -0.999 0.000 1.055 14 E CA -1.020 55.060 56.400 -0.534 0.000 0.825 14 E CB 0.896 30.439 29.700 -0.262 0.000 1.312 14 E HN -0.178 nan 8.360 nan 0.000 0.452 15 A N 0.276 122.134 122.820 -1.604 0.000 2.406 15 A HA 0.505 4.825 4.320 -0.001 0.000 0.243 15 A C 1.304 178.640 177.584 -0.414 0.000 1.082 15 A CA 0.711 52.168 52.037 -0.967 0.000 0.786 15 A CB -0.709 17.897 19.000 -0.656 0.000 1.029 15 A HN 1.676 nan 8.150 nan 0.000 0.495 16 G N -0.081 108.575 108.800 -0.240 0.000 2.180 16 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.263 16 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.263 16 G C 0.197 175.005 174.900 -0.154 0.000 0.989 16 G CA 0.995 45.996 45.100 -0.165 0.000 0.692 16 G HN 0.720 nan 8.290 nan 0.000 0.526 17 K N -0.065 120.234 120.400 -0.168 0.000 2.328 17 K HA 0.559 4.879 4.320 -0.001 0.000 0.246 17 K C -2.527 173.994 176.600 -0.131 0.000 0.955 17 K CA -2.081 54.131 56.287 -0.125 0.000 0.817 17 K CB 1.678 34.120 32.500 -0.095 0.000 1.208 17 K HN -0.051 nan 8.250 nan 0.000 0.432 18 P HA 0.148 nan 4.420 nan 0.000 0.270 18 P C -0.178 177.070 177.300 -0.086 0.000 1.223 18 P CA -0.274 62.757 63.100 -0.115 0.000 0.785 18 P CB 0.434 32.099 31.700 -0.058 0.000 0.923 19 L N 0.762 121.927 121.223 -0.097 0.000 2.439 19 L HA 0.163 4.503 4.340 -0.001 0.000 0.269 19 L C 0.498 177.345 176.870 -0.038 0.000 1.179 19 L CA 0.325 55.132 54.840 -0.055 0.000 0.828 19 L CB 0.195 42.241 42.059 -0.021 0.000 1.106 19 L HN 0.343 nan 8.230 nan 0.000 0.467 20 S N 3.095 118.779 115.700 -0.027 0.000 2.456 20 S HA 0.442 4.912 4.470 -0.001 0.000 0.316 20 S C -0.099 174.465 174.600 -0.061 0.000 1.089 20 S CA -0.615 57.598 58.200 0.021 0.000 1.101 20 S CB 1.188 64.530 63.200 0.236 0.000 0.995 20 S HN 0.251 nan 8.310 nan 0.000 0.468 21 I N 4.379 124.885 120.570 -0.106 0.000 2.483 21 I HA 0.189 4.359 4.170 -0.001 0.000 0.291 21 I C 0.678 176.754 176.117 -0.068 0.000 1.112 21 I CA 0.417 61.604 61.300 -0.188 0.000 1.350 21 I CB -0.685 37.181 38.000 -0.223 0.000 1.419 21 I HN 0.569 nan 8.210 nan 0.000 0.523 22 E N 4.966 125.138 120.200 -0.047 0.000 2.320 22 E HA 0.375 4.724 4.350 -0.001 0.000 0.264 22 E C -0.637 175.984 176.600 0.035 0.000 0.923 22 E CA -0.807 55.617 56.400 0.040 0.000 0.796 22 E CB 2.319 32.084 29.700 0.108 0.000 1.262 22 E HN 0.435 nan 8.360 nan 0.000 0.428 23 E N 1.887 122.127 120.200 0.067 0.000 2.134 23 E HA 0.401 4.750 4.350 -0.001 0.000 0.278 23 E C -0.483 176.165 176.600 0.081 0.000 0.959 23 E CA -0.322 56.120 56.400 0.070 0.000 0.783 23 E CB 0.596 30.336 29.700 0.067 0.000 1.095 23 E HN 0.450 nan 8.360 nan 0.000 0.399 24 I N 0.167 120.784 120.570 0.079 0.000 3.170 24 I HA 0.626 4.796 4.170 -0.001 0.000 0.312 24 I C -1.042 175.138 176.117 0.104 0.000 1.085 24 I CA -1.117 60.232 61.300 0.083 0.000 0.999 24 I CB 2.061 40.085 38.000 0.039 0.000 1.233 24 I HN 0.242 nan 8.210 nan 0.000 0.467 25 E N 1.701 121.974 120.200 0.121 0.000 2.187 25 E HA 0.591 4.941 4.350 -0.001 0.000 0.268 25 E C -1.337 175.362 176.600 0.165 0.000 0.896 25 E CA -0.617 55.851 56.400 0.114 0.000 0.766 25 E CB 2.387 32.140 29.700 0.088 0.000 1.142 25 E HN 0.453 nan 8.360 nan 0.000 0.408 26 V N 2.528 122.525 119.914 0.139 0.000 2.350 26 V HA 0.592 4.711 4.120 -0.001 0.000 0.285 26 V C 0.152 176.272 176.094 0.044 0.000 1.014 26 V CA -1.007 61.384 62.300 0.152 0.000 0.831 26 V CB 1.271 33.226 31.823 0.220 0.000 1.000 26 V HN 0.867 nan 8.190 nan 0.000 0.433 27 A N 8.611 131.439 122.820 0.013 0.000 2.448 27 A HA 0.544 4.864 4.320 -0.001 0.000 0.239 27 A C -1.909 175.662 177.584 -0.022 0.000 1.080 27 A CA -0.721 51.311 52.037 -0.008 0.000 0.779 27 A CB -0.167 18.824 19.000 -0.014 0.000 1.026 27 A HN 0.634 nan 8.150 nan 0.000 0.499 28 P HA 0.258 nan 4.420 nan 0.000 0.272 28 P C -2.760 174.525 177.300 -0.026 0.000 1.240 28 P CA -1.354 61.731 63.100 -0.025 0.000 0.791 28 P CB -0.488 31.197 31.700 -0.025 0.000 0.978 29 P HA 0.203 nan 4.420 nan 0.000 0.271 29 P C 0.091 177.373 177.300 -0.031 0.000 1.216 29 P CA 0.238 63.323 63.100 -0.026 0.000 0.771 29 P CB 0.462 32.152 31.700 -0.018 0.000 0.864 30 K N 1.529 121.909 120.400 -0.033 0.000 2.520 30 K HA 0.606 4.926 4.320 -0.001 0.000 0.256 30 K C 0.278 176.857 176.600 -0.035 0.000 1.033 30 K CA -0.923 55.346 56.287 -0.030 0.000 1.007 30 K CB 0.319 32.805 32.500 -0.024 0.000 1.330 30 K HN 0.438 nan 8.250 nan 0.000 0.507 31 A N 1.497 124.297 122.820 -0.032 0.000 2.584 31 A HA -0.069 4.251 4.320 -0.001 0.000 0.239 31 A C -0.144 177.439 177.584 -0.002 0.000 1.043 31 A CA 0.442 52.443 52.037 -0.060 0.000 0.756 31 A CB -0.556 18.446 19.000 0.003 0.000 0.963 31 A HN 0.859 nan 8.150 nan 0.000 0.511 32 H N 0.117 119.174 119.070 -0.021 0.000 2.713 32 H HA -0.126 4.430 4.556 -0.001 0.000 0.311 32 H C -0.025 175.285 175.328 -0.030 0.000 1.175 32 H CA 1.649 57.683 56.048 -0.023 0.000 1.143 32 H CB -1.273 28.475 29.762 -0.024 0.000 1.434 32 H HN 0.884 nan 8.280 nan 0.000 0.418 33 E N -0.425 119.786 120.200 0.018 0.000 2.369 33 E HA 0.671 5.020 4.350 -0.001 0.000 0.270 33 E C -0.385 176.214 176.600 -0.002 0.000 0.909 33 E CA -1.050 55.352 56.400 0.003 0.000 0.775 33 E CB 3.074 32.761 29.700 -0.021 0.000 1.270 33 E HN -0.031 nan 8.360 nan 0.000 0.445 34 V N 1.653 121.571 119.914 0.007 0.000 2.577 34 V HA 0.390 4.509 4.120 -0.001 0.000 0.303 34 V C -0.536 175.581 176.094 0.038 0.000 1.042 34 V CA -0.765 61.547 62.300 0.019 0.000 0.872 34 V CB 1.884 33.721 31.823 0.023 0.000 0.998 34 V HN 0.532 nan 8.190 nan 0.000 0.423 35 R N 4.343 124.874 120.500 0.052 0.000 2.294 35 R HA 0.733 5.073 4.340 -0.001 0.000 0.319 35 R C -1.194 175.184 176.300 0.130 0.000 0.984 35 R CA -0.359 55.798 56.100 0.095 0.000 0.861 35 R CB 0.893 31.244 30.300 0.085 0.000 1.104 35 R HN 0.713 nan 8.270 nan 0.000 0.451 36 I N 3.542 124.203 120.570 0.152 0.000 2.474 36 I HA 0.285 4.454 4.170 -0.001 0.000 0.294 36 I C -0.201 175.974 176.117 0.097 0.000 1.005 36 I CA -0.883 60.486 61.300 0.115 0.000 1.113 36 I CB 2.031 40.070 38.000 0.064 0.000 1.289 36 I HN 0.449 nan 8.210 nan 0.000 0.436 37 K N 6.601 127.000 120.400 -0.000 0.000 2.284 37 K HA 0.352 4.672 4.320 -0.001 0.000 0.287 37 K C -0.643 175.812 176.600 -0.241 0.000 1.081 37 K CA -0.588 55.503 56.287 -0.327 0.000 0.910 37 K CB 0.589 32.929 32.500 -0.267 0.000 1.088 37 K HN 0.438 nan 8.250 nan 0.000 0.478 38 I N 6.832 127.236 120.570 -0.277 0.000 2.396 38 I HA -0.034 4.135 4.170 -0.001 0.000 0.289 38 I C 1.331 177.316 176.117 -0.220 0.000 1.056 38 I CA -0.036 61.151 61.300 -0.189 0.000 1.365 38 I CB 0.716 38.619 38.000 -0.161 0.000 1.407 38 I HN 0.718 nan 8.210 nan 0.000 0.509 39 I N 4.556 125.034 120.570 -0.153 0.000 2.731 39 I HA 0.168 4.338 4.170 -0.001 0.000 0.260 39 I C 0.994 177.032 176.117 -0.132 0.000 1.138 39 I CA 0.646 61.865 61.300 -0.135 0.000 1.461 39 I CB -0.225 37.724 38.000 -0.086 0.000 1.128 39 I HN 0.589 nan 8.210 nan 0.000 0.438 40 A N -0.259 122.493 122.820 -0.114 0.000 2.574 40 A HA 0.658 4.978 4.320 -0.001 0.000 0.297 40 A C -0.562 176.975 177.584 -0.079 0.000 1.062 40 A CA -0.295 51.682 52.037 -0.100 0.000 0.686 40 A CB 1.950 20.911 19.000 -0.066 0.000 1.285 40 A HN 0.041 nan 8.150 nan 0.000 0.403 41 T N 0.040 114.557 114.554 -0.063 0.000 2.933 41 T HA 0.715 5.065 4.350 -0.001 0.000 0.305 41 T C -0.351 174.361 174.700 0.019 0.000 1.092 41 T CA 0.422 62.525 62.100 0.004 0.000 1.008 41 T CB 1.236 70.168 68.868 0.107 0.000 1.102 41 T HN 1.968 nan 8.240 nan 0.000 0.469 42 A N 2.908 125.736 122.820 0.013 0.000 2.261 42 A HA 0.927 5.246 4.320 -0.001 0.000 0.323 42 A C -0.817 176.796 177.584 0.049 0.000 1.107 42 A CA -0.577 51.457 52.037 -0.005 0.000 0.883 42 A CB 1.209 20.182 19.000 -0.044 0.000 1.251 42 A HN 0.800 nan 8.150 nan 0.000 0.502 43 V N -0.564 119.348 119.914 -0.004 0.000 2.789 43 V HA 0.595 4.714 4.120 -0.001 0.000 0.311 43 V C -0.048 176.025 176.094 -0.034 0.000 1.073 43 V CA -0.323 61.986 62.300 0.014 0.000 0.921 43 V CB 0.997 32.694 31.823 -0.210 0.000 1.009 43 V HN 1.555 nan 8.190 nan 0.000 0.426 44 C N 1.704 121.042 119.300 0.063 0.000 3.340 44 C HA 0.602 5.062 4.460 -0.001 0.000 0.333 44 C C 1.395 176.456 174.990 0.119 0.000 1.464 44 C CA -0.473 58.597 59.018 0.086 0.000 1.337 44 C CB 1.078 28.927 27.740 0.181 0.000 1.740 44 C HN 0.942 nan 8.230 nan 0.000 0.450 45 H N 0.218 119.366 119.070 0.130 0.000 2.518 45 H HA -0.023 4.533 4.556 -0.001 0.000 0.292 45 H C 1.954 177.398 175.328 0.194 0.000 1.068 45 H CA 2.431 58.566 56.048 0.146 0.000 1.275 45 H CB 0.005 29.822 29.762 0.092 0.000 1.375 45 H HN 0.806 nan 8.280 nan 0.000 0.563 46 T N -0.010 114.704 114.554 0.267 0.000 2.708 46 T HA -0.147 4.203 4.350 -0.001 0.000 0.266 46 T C 1.470 176.320 174.700 0.250 0.000 1.037 46 T CA 1.471 63.664 62.100 0.155 0.000 1.146 46 T CB -0.141 68.643 68.868 -0.141 0.000 0.865 46 T HN 0.474 nan 8.240 nan 0.000 0.435 47 D N 1.516 122.114 120.400 0.330 0.000 2.117 47 D HA -0.026 4.613 4.640 -0.001 0.000 0.197 47 D C 2.407 178.917 176.300 0.349 0.000 0.987 47 D CA 1.211 55.413 54.000 0.336 0.000 0.829 47 D CB -0.325 40.751 40.800 0.460 0.000 0.961 47 D HN 0.409 nan 8.370 nan 0.000 0.460 48 A N 0.419 123.506 122.820 0.446 0.000 1.933 48 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 48 A C 2.135 179.897 177.584 0.297 0.000 1.175 48 A CA 1.040 53.314 52.037 0.395 0.000 0.628 48 A CB -0.886 18.329 19.000 0.357 0.000 0.814 48 A HN 0.261 nan 8.150 nan 0.000 0.444 49 Y N 1.280 121.694 120.300 0.190 0.000 2.145 49 Y HA -0.170 4.379 4.550 -0.001 0.000 0.286 49 Y C 2.700 178.671 175.900 0.118 0.000 1.145 49 Y CA 2.235 60.426 58.100 0.152 0.000 1.148 49 Y CB -0.722 37.818 38.460 0.133 0.000 0.981 49 Y HN 0.322 nan 8.280 nan 0.000 0.507 50 T N 0.944 115.581 114.554 0.137 0.000 2.746 50 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 50 T C 1.833 176.549 174.700 0.027 0.000 1.039 50 T CA 1.431 63.532 62.100 0.001 0.000 1.142 50 T CB -0.679 68.153 68.868 -0.061 0.000 0.866 50 T HN 0.279 nan 8.240 nan 0.000 0.444 51 L N 2.143 123.389 121.223 0.038 0.000 2.083 51 L HA -0.067 4.272 4.340 -0.001 0.000 0.209 51 L C 2.511 179.405 176.870 0.040 0.000 1.083 51 L CA 1.953 56.831 54.840 0.062 0.000 0.752 51 L CB -0.866 41.127 42.059 -0.111 0.000 0.899 51 L HN 0.339 nan 8.230 nan 0.000 0.433 52 S N -0.893 114.808 115.700 0.002 0.000 2.474 52 S HA 0.072 4.541 4.470 -0.001 0.000 0.235 52 S C 1.708 176.269 174.600 -0.065 0.000 0.997 52 S CA 0.612 58.788 58.200 -0.040 0.000 0.949 52 S CB -0.767 62.420 63.200 -0.021 0.000 0.766 52 S HN 0.880 nan 8.310 nan 0.000 0.517 53 G N 0.547 109.344 108.800 -0.005 0.000 2.162 53 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.260 53 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.260 53 G C 0.819 175.670 174.900 -0.082 0.000 0.976 53 G CA 0.166 45.295 45.100 0.049 0.000 0.655 53 G HN 1.335 nan 8.290 nan 0.000 0.533 54 A N -0.452 122.207 122.820 -0.268 0.000 2.206 54 A HA 0.323 4.642 4.320 -0.001 0.000 0.211 54 A C 1.105 178.486 177.584 -0.338 0.000 1.158 54 A CA 1.292 53.131 52.037 -0.330 0.000 0.761 54 A CB 0.020 18.737 19.000 -0.472 0.000 0.801 54 A HN 0.461 nan 8.150 nan 0.000 0.473 55 D N -0.113 120.086 120.400 -0.335 0.000 2.352 55 D HA 0.286 4.926 4.640 -0.001 0.000 0.245 55 D C -1.657 174.640 176.300 -0.004 0.000 1.224 55 D CA -2.120 51.819 54.000 -0.101 0.000 0.879 55 D CB 1.143 41.924 40.800 -0.032 0.000 1.057 55 D HN 0.000 nan 8.370 nan 0.000 0.491 56 P HA -0.135 nan 4.420 nan 0.000 0.217 56 P C 0.266 177.585 177.300 0.033 0.000 1.148 56 P CA 1.166 64.286 63.100 0.033 0.000 0.834 56 P CB 0.286 32.010 31.700 0.040 0.000 0.783 57 E N -1.085 119.134 120.200 0.031 0.000 2.444 57 E HA 0.191 4.540 4.350 -0.001 0.000 0.191 57 E C 0.877 177.478 176.600 0.001 0.000 1.041 57 E CA -0.335 56.077 56.400 0.019 0.000 0.883 57 E CB 0.090 29.801 29.700 0.017 0.000 1.024 57 E HN 0.137 nan 8.360 nan 0.000 0.470 58 G N 0.880 109.674 108.800 -0.010 0.000 2.333 58 G HA2 0.313 4.272 3.960 -0.001 0.000 0.290 58 G HA3 0.313 4.272 3.960 -0.001 0.000 0.290 58 G C -0.273 174.526 174.900 -0.168 0.000 1.150 58 G CA -0.338 44.701 45.100 -0.102 0.000 0.895 58 G HN 0.106 nan 8.290 nan 0.000 0.444 59 C N 1.377 120.503 119.300 -0.290 0.000 2.562 59 C HA 0.823 5.283 4.460 -0.001 0.000 0.332 59 C C -0.443 174.224 174.990 -0.539 0.000 1.201 59 C CA -0.672 58.219 59.018 -0.210 0.000 1.803 59 C CB 0.926 28.638 27.740 -0.047 0.000 2.328 59 C HN 0.630 nan 8.230 nan 0.000 0.500 60 F N 0.250 120.203 119.950 0.006 0.000 2.603 60 F HA 0.583 5.109 4.527 -0.000 0.000 0.317 60 F C -2.162 173.663 175.800 0.041 0.000 1.066 60 F CA -2.011 55.990 58.000 0.000 0.000 0.941 60 F CB 0.523 39.526 39.000 0.006 0.000 1.291 60 F HN 0.333 nan 8.300 nan 0.000 0.472 61 P HA 0.445 nan 4.420 nan 0.000 0.275 61 P C -1.358 175.902 177.300 -0.066 0.000 1.228 61 P CA -0.404 62.763 63.100 0.112 0.000 0.786 61 P CB 1.493 33.191 31.700 -0.004 0.000 0.927 62 V N 2.748 122.564 119.914 -0.163 0.000 3.120 62 V HA 0.469 4.588 4.120 -0.001 0.000 0.303 62 V C -1.462 174.476 176.094 -0.260 0.000 1.238 62 V CA -0.914 61.254 62.300 -0.220 0.000 1.008 62 V CB 2.118 33.754 31.823 -0.310 0.000 1.064 62 V HN 0.343 nan 8.190 nan 0.000 0.434 63 I N 6.369 126.785 120.570 -0.256 0.000 2.330 63 I HA 0.346 4.516 4.170 -0.001 0.000 0.286 63 I C 0.274 176.280 176.117 -0.186 0.000 1.025 63 I CA -0.219 60.928 61.300 -0.254 0.000 1.197 63 I CB 1.158 38.861 38.000 -0.494 0.000 1.358 63 I HN 0.493 nan 8.210 nan 0.000 0.467 64 L N 5.109 126.182 121.223 -0.251 0.000 2.506 64 L HA 0.623 4.963 4.340 -0.001 0.000 0.199 64 L C 0.756 177.126 176.870 -0.833 0.000 1.178 64 L CA -0.381 54.132 54.840 -0.544 0.000 0.868 64 L CB 0.095 41.813 42.059 -0.570 0.000 1.451 64 L HN 0.768 nan 8.230 nan 0.000 0.526 65 G N -0.066 108.118 108.800 -1.026 0.000 3.355 65 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.686 65 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.686 65 G C -0.417 174.411 174.900 -0.121 0.000 1.097 65 G CA -0.116 44.364 45.100 -1.033 0.000 0.881 65 G HN 1.051 nan 8.290 nan 0.000 0.550 66 H N 0.166 119.151 119.070 -0.142 0.000 3.367 66 H HA 0.303 4.859 4.556 -0.001 0.000 0.257 66 H C 0.005 175.342 175.328 0.015 0.000 1.201 66 H CA 0.287 56.292 56.048 -0.071 0.000 1.102 66 H CB 0.787 30.433 29.762 -0.194 0.000 1.656 66 H HN 0.541 nan 8.280 nan 0.000 0.662 67 E N 1.418 121.410 120.200 -0.346 0.000 2.683 67 E HA 0.476 4.826 4.350 -0.001 0.000 0.224 67 E C -0.335 176.217 176.600 -0.081 0.000 1.046 67 E CA -0.538 55.741 56.400 -0.202 0.000 0.811 67 E CB 1.516 31.054 29.700 -0.269 0.000 1.296 67 E HN 0.515 nan 8.360 nan 0.000 0.421 68 G N 0.783 109.561 108.800 -0.037 0.000 2.630 68 G HA2 0.812 4.772 3.960 -0.001 0.000 0.296 68 G HA3 0.812 4.772 3.960 -0.001 0.000 0.296 68 G C -1.318 173.566 174.900 -0.026 0.000 1.285 68 G CA -0.679 44.406 45.100 -0.025 0.000 0.958 68 G HN 0.354 nan 8.290 nan 0.000 0.479 69 A N -0.902 121.897 122.820 -0.035 0.000 2.517 69 A HA 0.968 5.288 4.320 -0.001 0.000 0.297 69 A C 0.018 177.576 177.584 -0.042 0.000 1.050 69 A CA 0.247 52.264 52.037 -0.032 0.000 0.694 69 A CB 1.630 20.609 19.000 -0.035 0.000 1.277 69 A HN 2.139 nan 8.150 nan 0.000 0.400 70 G N 0.074 108.854 108.800 -0.033 0.000 2.677 70 G HA2 0.614 4.573 3.960 -0.001 0.000 0.283 70 G HA3 0.614 4.573 3.960 -0.001 0.000 0.283 70 G C -1.620 173.266 174.900 -0.024 0.000 1.221 70 G CA -0.416 44.658 45.100 -0.044 0.000 0.851 70 G HN 0.868 nan 8.290 nan 0.000 0.504 71 I N 0.485 121.042 120.570 -0.022 0.000 2.582 71 I HA 0.367 4.537 4.170 -0.001 0.000 0.292 71 I C -0.186 175.947 176.117 0.027 0.000 1.066 71 I CA -1.082 60.219 61.300 0.003 0.000 1.053 71 I CB 2.445 40.448 38.000 0.004 0.000 1.241 71 I HN 0.168 nan 8.210 nan 0.000 0.421 72 V N 5.493 125.427 119.914 0.033 0.000 2.493 72 V HA -0.037 4.082 4.120 -0.001 0.000 0.292 72 V C 1.315 177.450 176.094 0.068 0.000 1.016 72 V CA 0.406 62.735 62.300 0.048 0.000 1.097 72 V CB 0.659 32.502 31.823 0.033 0.000 0.947 72 V HN 0.852 nan 8.190 nan 0.000 0.479 73 E N 3.496 123.760 120.200 0.106 0.000 2.140 73 E HA 0.012 4.362 4.350 -0.001 0.000 0.191 73 E C 0.626 177.268 176.600 0.069 0.000 0.973 73 E CA 1.064 57.541 56.400 0.129 0.000 0.829 73 E CB 0.726 30.575 29.700 0.248 0.000 0.781 73 E HN 0.866 nan 8.360 nan 0.000 0.466 74 S N -0.903 114.829 115.700 0.053 0.000 2.597 74 S HA 0.427 4.896 4.470 -0.001 0.000 0.274 74 S C -0.732 173.877 174.600 0.016 0.000 1.132 74 S CA -0.446 57.768 58.200 0.024 0.000 0.835 74 S CB 1.189 64.394 63.200 0.008 0.000 1.092 74 S HN 0.181 nan 8.310 nan 0.000 0.457 75 V N -0.199 119.715 119.914 -0.000 0.000 2.864 75 V HA 1.036 5.156 4.120 -0.001 0.000 0.314 75 V C 0.675 176.750 176.094 -0.032 0.000 1.073 75 V CA 0.004 62.296 62.300 -0.013 0.000 0.956 75 V CB 1.089 32.902 31.823 -0.017 0.000 1.023 75 V HN 1.486 nan 8.190 nan 0.000 0.435 76 G N 1.158 109.930 108.800 -0.047 0.000 2.525 76 G HA2 0.438 4.398 3.960 -0.001 0.000 0.287 76 G HA3 0.438 4.398 3.960 -0.001 0.000 0.287 76 G C -0.244 174.590 174.900 -0.110 0.000 1.350 76 G CA -0.792 44.268 45.100 -0.066 0.000 1.039 76 G HN 0.924 nan 8.290 nan 0.000 0.513 77 E N -0.745 119.382 120.200 -0.122 0.000 2.481 77 E HA 0.279 4.628 4.350 -0.001 0.000 0.263 77 E C 1.277 177.693 176.600 -0.307 0.000 0.992 77 E CA 1.184 57.491 56.400 -0.155 0.000 0.938 77 E CB 0.424 30.053 29.700 -0.118 0.000 0.933 77 E HN 0.931 nan 8.360 nan 0.000 0.453 78 G N 1.819 110.467 108.800 -0.252 0.000 2.184 78 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.264 78 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.264 78 G C 0.254 174.982 174.900 -0.287 0.000 0.975 78 G CA 0.250 45.154 45.100 -0.326 0.000 0.642 78 G HN 0.418 nan 8.290 nan 0.000 0.536 79 V N 1.879 121.663 119.914 -0.216 0.000 2.408 79 V HA 0.535 4.654 4.120 -0.001 0.000 0.267 79 V C 1.408 177.478 176.094 -0.039 0.000 1.047 79 V CA 0.994 63.239 62.300 -0.092 0.000 0.937 79 V CB 1.084 32.866 31.823 -0.068 0.000 0.999 79 V HN 0.699 nan 8.190 nan 0.000 0.472 80 T N 0.613 115.163 114.554 -0.005 0.000 2.954 80 T HA 0.145 4.494 4.350 -0.001 0.000 0.252 80 T C 1.275 175.981 174.700 0.009 0.000 0.983 80 T CA -0.255 61.845 62.100 0.001 0.000 0.941 80 T CB 0.104 68.976 68.868 0.006 0.000 1.141 80 T HN 0.471 nan 8.240 nan 0.000 0.500 81 K N 0.687 121.098 120.400 0.018 0.000 2.296 81 K HA 0.316 4.636 4.320 -0.001 0.000 0.200 81 K C 0.277 176.885 176.600 0.014 0.000 1.048 81 K CA 0.520 56.818 56.287 0.018 0.000 0.966 81 K CB 0.041 32.555 32.500 0.024 0.000 0.754 81 K HN 0.371 nan 8.250 nan 0.000 0.466 82 L N 1.233 122.463 121.223 0.012 0.000 2.341 82 L HA 0.405 4.745 4.340 -0.001 0.000 0.267 82 L C -0.610 176.265 176.870 0.007 0.000 1.009 82 L CA -0.995 53.852 54.840 0.011 0.000 0.819 82 L CB 1.915 43.982 42.059 0.014 0.000 1.323 82 L HN -0.021 nan 8.230 nan 0.000 0.425 83 K N 0.851 121.257 120.400 0.009 0.000 2.555 83 K HA 0.793 5.113 4.320 -0.001 0.000 0.279 83 K C -1.147 175.462 176.600 0.014 0.000 0.986 83 K CA -0.955 55.337 56.287 0.008 0.000 0.880 83 K CB 1.786 34.290 32.500 0.006 0.000 1.474 83 K HN 0.495 nan 8.250 nan 0.000 0.433 84 A N 0.397 123.227 122.820 0.016 0.000 2.567 84 A HA 0.410 4.730 4.320 -0.001 0.000 0.240 84 A C 1.272 178.869 177.584 0.022 0.000 1.053 84 A CA 1.309 53.361 52.037 0.024 0.000 0.755 84 A CB -1.221 17.793 19.000 0.023 0.000 0.978 84 A HN 1.503 nan 8.150 nan 0.000 0.507 85 G N 2.025 110.841 108.800 0.027 0.000 2.232 85 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.226 85 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.226 85 G C -0.026 174.884 174.900 0.016 0.000 0.996 85 G CA 0.191 45.304 45.100 0.021 0.000 0.626 85 G HN 0.815 nan 8.290 nan 0.000 0.509 86 D N 1.977 122.387 120.400 0.016 0.000 2.455 86 D HA 0.430 5.070 4.640 -0.001 0.000 0.241 86 D C 0.664 176.971 176.300 0.011 0.000 1.138 86 D CA 0.806 54.813 54.000 0.012 0.000 0.877 86 D CB 0.915 41.722 40.800 0.012 0.000 1.187 86 D HN 0.166 nan 8.370 nan 0.000 0.451 87 T N 1.372 115.931 114.554 0.008 0.000 2.780 87 T HA 0.473 4.823 4.350 -0.001 0.000 0.294 87 T C 0.370 175.073 174.700 0.005 0.000 0.949 87 T CA -0.605 61.499 62.100 0.005 0.000 1.074 87 T CB 0.738 69.609 68.868 0.005 0.000 0.910 87 T HN 0.270 nan 8.240 nan 0.000 0.501 88 V N 0.825 120.740 119.914 0.002 0.000 3.206 88 V HA 0.768 4.887 4.120 -0.001 0.000 0.305 88 V C -1.324 174.768 176.094 -0.003 0.000 1.257 88 V CA -1.284 61.017 62.300 0.001 0.000 1.057 88 V CB 2.052 33.879 31.823 0.006 0.000 1.075 88 V HN 0.805 nan 8.190 nan 0.000 0.443 89 I N 1.709 122.277 120.570 -0.003 0.000 2.478 89 I HA 0.530 4.700 4.170 -0.001 0.000 0.287 89 I C -2.762 173.351 176.117 -0.007 0.000 1.042 89 I CA -1.986 59.311 61.300 -0.005 0.000 1.067 89 I CB 2.823 40.821 38.000 -0.004 0.000 1.233 89 I HN 0.501 nan 8.210 nan 0.000 0.431 90 P HA 0.324 nan 4.420 nan 0.000 0.275 90 P C -1.191 176.091 177.300 -0.029 0.000 1.227 90 P CA -0.137 62.962 63.100 -0.002 0.000 0.781 90 P CB 0.620 32.335 31.700 0.026 0.000 0.906 91 L N 3.051 124.229 121.223 -0.074 0.000 2.362 91 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 91 L C 1.095 177.852 176.870 -0.188 0.000 0.998 91 L CA -0.744 53.973 54.840 -0.204 0.000 0.820 91 L CB 1.430 43.326 42.059 -0.271 0.000 1.270 91 L HN 0.485 nan 8.230 nan 0.000 0.415 92 Y N 1.453 121.598 120.300 -0.258 0.000 2.457 92 Y HA 0.284 4.833 4.550 -0.000 0.000 0.292 92 Y C 0.631 176.382 175.900 -0.248 0.000 1.125 92 Y CA -0.110 57.850 58.100 -0.233 0.000 1.254 92 Y CB 0.132 38.450 38.460 -0.237 0.000 1.012 92 Y HN 0.203 nan 8.280 nan 0.000 0.555 93 I N 5.269 125.410 120.570 -0.715 0.000 2.330 93 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 93 I C -2.414 173.503 176.117 -0.333 0.000 1.025 93 I CA -3.043 57.958 61.300 -0.499 0.000 1.197 93 I CB 0.772 38.381 38.000 -0.652 0.000 1.358 93 I HN 0.053 nan 8.210 nan 0.000 0.467 94 P HA 0.211 nan 4.420 nan 0.000 0.293 94 P C -0.899 176.355 177.300 -0.076 0.000 1.304 94 P CA -0.508 62.518 63.100 -0.122 0.000 0.767 94 P CB 1.496 33.140 31.700 -0.094 0.000 1.247 95 Q N -0.349 119.425 119.800 -0.043 0.000 3.258 95 Q HA 0.221 4.561 4.340 -0.001 0.000 0.214 95 Q C 0.702 176.698 176.000 -0.007 0.000 0.873 95 Q CA -0.415 55.383 55.803 -0.009 0.000 0.752 95 Q CB 0.179 28.925 28.738 0.013 0.000 1.396 95 Q HN 0.610 nan 8.270 nan 0.000 0.463 96 C N 0.481 119.775 119.300 -0.010 0.000 2.448 96 C HA 0.314 4.774 4.460 -0.001 0.000 0.280 96 C C 1.636 176.625 174.990 -0.002 0.000 1.398 96 C CA 0.906 59.914 59.018 -0.016 0.000 1.774 96 C CB -1.076 26.650 27.740 -0.023 0.000 1.888 96 C HN 1.056 nan 8.230 nan 0.000 0.519 97 G N 0.558 109.367 108.800 0.014 0.000 2.168 97 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.263 97 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.263 97 G C 0.571 175.480 174.900 0.016 0.000 0.977 97 G CA 0.884 45.995 45.100 0.020 0.000 0.659 97 G HN 0.715 nan 8.290 nan 0.000 0.533 98 E N -1.321 118.888 120.200 0.015 0.000 2.467 98 E HA 0.150 4.500 4.350 -0.001 0.000 0.213 98 E C 1.860 178.474 176.600 0.023 0.000 0.823 98 E CA 0.161 56.568 56.400 0.011 0.000 1.233 98 E CB 0.371 30.069 29.700 -0.003 0.000 1.233 98 E HN 0.786 nan 8.360 nan 0.000 0.585 99 C N 2.003 121.331 119.300 0.046 0.000 2.705 99 C HA 0.191 4.651 4.460 -0.001 0.000 0.365 99 C C 2.014 177.052 174.990 0.080 0.000 1.353 99 C CA -0.369 58.697 59.018 0.080 0.000 2.339 99 C CB 0.735 28.555 27.740 0.134 0.000 2.576 99 C HN 0.414 nan 8.230 nan 0.000 0.716 100 K N 0.159 120.598 120.400 0.065 0.000 2.209 100 K HA -0.117 4.203 4.320 -0.001 0.000 0.204 100 K C 1.389 177.910 176.600 -0.132 0.000 1.048 100 K CA 1.756 58.004 56.287 -0.064 0.000 0.940 100 K CB -0.438 31.965 32.500 -0.162 0.000 0.729 100 K HN 0.721 nan 8.250 nan 0.000 0.451 101 F N 1.742 121.686 119.950 -0.009 0.000 2.128 101 F HA -0.062 4.464 4.527 -0.001 0.000 0.295 101 F C 2.610 178.408 175.800 -0.003 0.000 1.100 101 F CA 0.621 58.617 58.000 -0.006 0.000 1.260 101 F CB -0.672 38.323 39.000 -0.007 0.000 1.009 101 F HN 0.064 nan 8.300 nan 0.000 0.476 102 C N 0.204 119.616 119.300 0.188 0.000 2.422 102 C HA -0.104 4.356 4.460 -0.001 0.000 0.279 102 C C 2.700 177.725 174.990 0.058 0.000 1.305 102 C CA 0.672 59.752 59.018 0.103 0.000 1.757 102 C CB -1.302 26.483 27.740 0.074 0.000 1.962 102 C HN 0.404 nan 8.230 nan 0.000 0.499 103 L N 0.518 121.762 121.223 0.035 0.000 2.492 103 L HA 0.050 4.390 4.340 -0.001 0.000 0.223 103 L C 0.923 177.787 176.870 -0.009 0.000 1.132 103 L CA 0.451 55.295 54.840 0.007 0.000 0.850 103 L CB -0.500 41.555 42.059 -0.006 0.000 0.966 103 L HN 0.394 nan 8.230 nan 0.000 0.454 104 N N 0.669 119.358 118.700 -0.019 0.000 2.422 104 N HA 0.143 4.883 4.740 -0.001 0.000 0.266 104 N C -1.964 173.544 175.510 -0.003 0.000 1.007 104 N CA -1.660 51.369 53.050 -0.035 0.000 0.941 104 N CB 1.942 40.376 38.487 -0.089 0.000 1.115 104 N HN -0.188 nan 8.380 nan 0.000 0.492 105 P HA -0.024 nan 4.420 nan 0.000 0.225 105 P C 0.274 177.573 177.300 -0.001 0.000 1.148 105 P CA 1.171 64.273 63.100 0.003 0.000 0.779 105 P CB 0.325 32.024 31.700 -0.002 0.000 0.780 106 K N -1.625 118.771 120.400 -0.006 0.000 2.444 106 K HA 0.139 4.459 4.320 -0.001 0.000 0.193 106 K C 0.674 177.281 176.600 0.012 0.000 1.024 106 K CA 0.391 56.674 56.287 -0.007 0.000 1.077 106 K CB 0.198 32.690 32.500 -0.014 0.000 0.833 106 K HN 0.083 nan 8.250 nan 0.000 0.517 107 T N 0.411 114.989 114.554 0.040 0.000 2.843 107 T HA 0.178 4.527 4.350 -0.001 0.000 0.302 107 T C -1.043 173.719 174.700 0.104 0.000 1.232 107 T CA -0.854 61.298 62.100 0.086 0.000 1.009 107 T CB 1.159 70.130 68.868 0.172 0.000 1.254 107 T HN 0.212 nan 8.240 nan 0.000 0.504 108 N N 2.428 121.194 118.700 0.109 0.000 2.194 108 N HA 0.132 4.871 4.740 -0.001 0.000 0.231 108 N C -0.082 175.474 175.510 0.077 0.000 1.247 108 N CA -0.244 52.870 53.050 0.106 0.000 0.884 108 N CB -0.073 38.488 38.487 0.124 0.000 1.146 108 N HN 0.497 nan 8.380 nan 0.000 0.516 109 L N 1.743 123.013 121.223 0.078 0.000 2.437 109 L HA 0.200 4.540 4.340 -0.001 0.000 0.243 109 L C 0.527 177.266 176.870 -0.217 0.000 1.346 109 L CA -0.583 54.213 54.840 -0.073 0.000 1.233 109 L CB -0.468 41.520 42.059 -0.118 0.000 1.436 109 L HN 0.185 nan 8.230 nan 0.000 0.416 110 C N 2.086 121.329 119.300 -0.097 0.000 2.596 110 C HA -0.011 4.449 4.460 -0.001 0.000 0.414 110 C C 1.617 176.480 174.990 -0.213 0.000 1.396 110 C CA -0.172 58.794 59.018 -0.087 0.000 1.698 110 C CB 0.173 27.887 27.740 -0.043 0.000 2.572 110 C HN 0.671 nan 8.230 nan 0.000 0.604 111 Q N 3.257 122.920 119.800 -0.228 0.000 2.247 111 Q HA 0.039 4.378 4.340 -0.001 0.000 0.211 111 Q C 1.738 177.674 176.000 -0.107 0.000 0.861 111 Q CA -0.028 55.633 55.803 -0.237 0.000 0.949 111 Q CB -0.041 28.491 28.738 -0.343 0.000 1.115 111 Q HN 0.855 nan 8.270 nan 0.000 0.507 112 K N 2.215 122.575 120.400 -0.067 0.000 2.077 112 K HA -0.157 4.162 4.320 -0.001 0.000 0.213 112 K C 1.637 178.202 176.600 -0.058 0.000 1.051 112 K CA 1.729 57.987 56.287 -0.048 0.000 0.929 112 K CB -0.108 32.366 32.500 -0.044 0.000 0.715 112 K HN 0.411 nan 8.250 nan 0.000 0.451 113 I N -3.807 116.720 120.570 -0.071 0.000 3.947 113 I HA 0.261 4.431 4.170 -0.001 0.000 0.327 113 I C 1.489 177.561 176.117 -0.075 0.000 1.519 113 I CA -0.531 60.727 61.300 -0.070 0.000 1.122 113 I CB 0.350 38.306 38.000 -0.073 0.000 1.146 113 I HN -0.040 nan 8.210 nan 0.000 0.442 114 R N 1.802 122.251 120.500 -0.085 0.000 2.096 114 R HA -0.128 4.212 4.340 -0.001 0.000 0.240 114 R C 1.986 178.246 176.300 -0.068 0.000 1.139 114 R CA 2.318 58.366 56.100 -0.087 0.000 0.952 114 R CB -0.299 29.934 30.300 -0.111 0.000 0.854 114 R HN 0.428 nan 8.270 nan 0.000 0.436 115 V N 0.533 120.413 119.914 -0.058 0.000 2.233 115 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 115 V C 2.605 178.675 176.094 -0.039 0.000 1.050 115 V CA 2.488 64.763 62.300 -0.043 0.000 1.010 115 V CB -1.143 30.660 31.823 -0.034 0.000 0.637 115 V HN 0.608 nan 8.190 nan 0.000 0.444 116 T N -1.468 113.059 114.554 -0.045 0.000 2.746 116 T HA -0.334 4.016 4.350 -0.001 0.000 0.267 116 T C 1.861 176.531 174.700 -0.050 0.000 1.039 116 T CA 1.864 63.937 62.100 -0.045 0.000 1.142 116 T CB -0.482 68.352 68.868 -0.057 0.000 0.866 116 T HN 0.516 nan 8.240 nan 0.000 0.444 117 Q N 1.421 121.184 119.800 -0.062 0.000 2.096 117 Q HA -0.055 4.285 4.340 -0.001 0.000 0.204 117 Q C 2.575 178.548 176.000 -0.046 0.000 0.982 117 Q CA 1.760 57.525 55.803 -0.062 0.000 0.850 117 Q CB -0.868 27.826 28.738 -0.073 0.000 0.901 117 Q HN 0.687 nan 8.270 nan 0.000 0.422 118 G N 0.467 109.239 108.800 -0.046 0.000 2.448 118 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 118 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 118 G C 1.045 175.935 174.900 -0.016 0.000 1.127 118 G CA 0.595 45.672 45.100 -0.037 0.000 0.766 118 G HN 0.290 nan 8.290 nan 0.000 0.552 119 K N 0.018 120.412 120.400 -0.010 0.000 2.387 119 K HA 0.285 4.604 4.320 -0.001 0.000 0.198 119 K C 1.223 177.840 176.600 0.028 0.000 1.022 119 K CA 0.264 56.554 56.287 0.006 0.000 1.128 119 K CB 0.485 32.987 32.500 0.004 0.000 0.853 119 K HN 0.244 nan 8.250 nan 0.000 0.523 120 G N 2.066 110.889 108.800 0.038 0.000 2.272 120 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.280 120 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.280 120 G C -0.283 174.689 174.900 0.122 0.000 1.067 120 G CA 0.112 45.276 45.100 0.107 0.000 0.902 120 G HN 0.187 nan 8.290 nan 0.000 0.500 121 L N -0.978 120.247 121.223 0.005 0.000 2.376 121 L HA 0.680 5.019 4.340 -0.001 0.000 0.258 121 L C 0.689 177.434 176.870 -0.209 0.000 1.013 121 L CA -1.629 53.171 54.840 -0.067 0.000 0.822 121 L CB 1.470 43.515 42.059 -0.024 0.000 1.388 121 L HN 0.006 nan 8.230 nan 0.000 0.413 122 M N 0.943 120.374 119.600 -0.281 0.000 2.114 122 M HA 0.217 4.697 4.480 -0.001 0.000 0.293 122 M C -1.509 174.709 176.300 -0.138 0.000 1.201 122 M CA -1.919 53.223 55.300 -0.265 0.000 1.107 122 M CB -0.134 32.312 32.600 -0.256 0.000 1.405 122 M HN 0.238 nan 8.290 nan 0.000 0.486 123 P HA -0.167 nan 4.420 nan 0.000 0.218 123 P C 0.601 177.870 177.300 -0.051 0.000 1.148 123 P CA 1.314 64.372 63.100 -0.070 0.000 0.822 123 P CB -0.089 31.576 31.700 -0.058 0.000 0.784 124 D N -1.327 119.044 120.400 -0.049 0.000 2.378 124 D HA -0.019 4.621 4.640 -0.001 0.000 0.227 124 D C 1.342 177.625 176.300 -0.028 0.000 1.012 124 D CA 0.998 54.980 54.000 -0.031 0.000 0.905 124 D CB -0.895 39.890 40.800 -0.025 0.000 0.895 124 D HN 0.241 nan 8.370 nan 0.000 0.532 125 G N 0.045 108.822 108.800 -0.038 0.000 2.141 125 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.231 125 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.231 125 G C 0.346 175.237 174.900 -0.015 0.000 0.984 125 G CA 0.547 45.632 45.100 -0.025 0.000 0.660 125 G HN 0.855 nan 8.290 nan 0.000 0.525 126 T N -2.678 111.861 114.554 -0.025 0.000 2.887 126 T HA 0.777 5.127 4.350 -0.001 0.000 0.292 126 T C -0.204 174.496 174.700 -0.000 0.000 1.087 126 T CA 0.272 62.371 62.100 -0.001 0.000 1.009 126 T CB 2.095 70.964 68.868 0.002 0.000 1.203 126 T HN 1.151 nan 8.240 nan 0.000 0.518 127 S N -0.703 115.033 115.700 0.061 0.000 2.565 127 S HA 0.450 4.919 4.470 -0.001 0.000 0.290 127 S C 0.708 175.356 174.600 0.080 0.000 1.150 127 S CA -0.908 57.384 58.200 0.153 0.000 1.058 127 S CB 0.763 64.089 63.200 0.211 0.000 1.032 127 S HN 0.651 nan 8.310 nan 0.000 0.510 128 R N 1.784 122.321 120.500 0.062 0.000 2.334 128 R HA 0.206 4.546 4.340 -0.001 0.000 0.216 128 R C -0.821 175.350 176.300 -0.214 0.000 0.905 128 R CA 0.220 56.231 56.100 -0.148 0.000 1.064 128 R CB -0.330 29.826 30.300 -0.240 0.000 1.046 128 R HN 0.496 nan 8.270 nan 0.000 0.508 129 F N 0.763 120.719 119.950 0.011 0.000 2.450 129 F HA 0.391 4.918 4.527 -0.001 0.000 0.332 129 F C 0.878 176.673 175.800 -0.008 0.000 1.093 129 F CA -0.907 57.063 58.000 -0.050 0.000 1.003 129 F CB 1.683 40.581 39.000 -0.170 0.000 1.151 129 F HN -0.188 nan 8.300 nan 0.000 0.474 130 T N -0.947 113.739 114.554 0.220 0.000 2.894 130 T HA 0.643 4.993 4.350 -0.001 0.000 0.309 130 T C -1.453 173.325 174.700 0.130 0.000 1.208 130 T CA -0.922 61.267 62.100 0.148 0.000 1.016 130 T CB 1.410 70.350 68.868 0.120 0.000 1.192 130 T HN 0.941 nan 8.240 nan 0.000 0.491 131 C N 2.535 121.928 119.300 0.154 0.000 2.989 131 C HA 0.646 5.105 4.460 -0.001 0.000 0.397 131 C C -0.322 174.835 174.990 0.279 0.000 1.022 131 C CA -0.489 58.646 59.018 0.195 0.000 1.232 131 C CB -0.233 27.604 27.740 0.162 0.000 1.638 131 C HN 1.252 nan 8.230 nan 0.000 0.534 132 K N 4.005 124.522 120.400 0.195 0.000 3.096 132 K HA -0.181 4.139 4.320 -0.001 0.000 0.266 132 K C 1.029 177.697 176.600 0.113 0.000 1.043 132 K CA 1.338 57.708 56.287 0.138 0.000 0.758 132 K CB -1.439 31.135 32.500 0.123 0.000 1.260 132 K HN 2.141 nan 8.250 nan 0.000 0.481 133 G N -0.340 108.525 108.800 0.110 0.000 2.168 133 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.263 133 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.263 133 G C -0.144 174.822 174.900 0.110 0.000 0.977 133 G CA 0.967 46.120 45.100 0.089 0.000 0.659 133 G HN 0.311 nan 8.290 nan 0.000 0.533 134 K N 0.614 121.113 120.400 0.164 0.000 2.207 134 K HA 0.534 4.853 4.320 -0.001 0.000 0.255 134 K C -0.174 176.529 176.600 0.170 0.000 0.941 134 K CA -0.615 55.784 56.287 0.188 0.000 0.825 134 K CB 1.643 34.324 32.500 0.303 0.000 1.119 134 K HN 0.066 nan 8.250 nan 0.000 0.430 135 T N 2.798 117.436 114.554 0.140 0.000 2.884 135 T HA 0.272 4.621 4.350 -0.001 0.000 0.298 135 T C 0.334 175.104 174.700 0.117 0.000 0.998 135 T CA -0.232 61.942 62.100 0.124 0.000 1.124 135 T CB 0.292 69.224 68.868 0.107 0.000 0.931 135 T HN 0.256 nan 8.240 nan 0.000 0.531 136 I N 3.603 124.238 120.570 0.109 0.000 2.433 136 I HA 0.355 4.525 4.170 -0.001 0.000 0.292 136 I C 0.245 176.431 176.117 0.116 0.000 1.001 136 I CA -0.774 60.547 61.300 0.036 0.000 1.119 136 I CB 1.555 39.496 38.000 -0.098 0.000 1.289 136 I HN 0.481 nan 8.210 nan 0.000 0.438 137 L N 5.254 126.520 121.223 0.071 0.000 2.436 137 L HA 0.264 4.604 4.340 -0.001 0.000 0.265 137 L C 0.861 177.844 176.870 0.188 0.000 1.168 137 L CA -0.408 54.516 54.840 0.140 0.000 0.815 137 L CB 0.312 42.413 42.059 0.069 0.000 1.109 137 L HN 0.480 nan 8.230 nan 0.000 0.462 138 H N 0.473 119.677 119.070 0.223 0.000 2.544 138 H HA 0.218 4.773 4.556 -0.001 0.000 0.365 138 H C -1.330 174.120 175.328 0.205 0.000 1.268 138 H CA -0.146 56.075 56.048 0.288 0.000 1.400 138 H CB 1.704 31.578 29.762 0.187 0.000 1.538 138 H HN 0.403 nan 8.280 nan 0.000 0.597 139 Y N 0.406 120.796 120.300 0.151 0.000 2.386 139 Y HA 0.144 4.694 4.550 -0.001 0.000 0.334 139 Y C 0.165 176.071 175.900 0.010 0.000 1.002 139 Y CA -0.987 57.117 58.100 0.007 0.000 1.068 139 Y CB 0.736 39.143 38.460 -0.089 0.000 1.203 139 Y HN 0.780 nan 8.280 nan 0.000 0.443 140 M N 4.832 124.165 119.600 -0.445 0.000 2.612 140 M HA -0.305 4.175 4.480 -0.001 0.000 0.194 140 M C 1.162 177.390 176.300 -0.119 0.000 0.530 140 M CA 1.576 56.629 55.300 -0.412 0.000 0.548 140 M CB -1.749 30.416 32.600 -0.725 0.000 2.013 140 M HN 1.302 nan 8.290 nan 0.000 0.711 141 G N -0.766 108.014 108.800 -0.034 0.000 2.175 141 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.265 141 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.265 141 G C 0.548 175.485 174.900 0.061 0.000 0.979 141 G CA 1.775 46.876 45.100 0.001 0.000 0.663 141 G HN 0.863 nan 8.290 nan 0.000 0.533 142 T N -4.628 109.986 114.554 0.100 0.000 3.125 142 T HA 0.435 4.784 4.350 -0.001 0.000 0.252 142 T C 1.249 176.065 174.700 0.194 0.000 0.981 142 T CA 1.178 63.354 62.100 0.127 0.000 1.069 142 T CB 0.128 69.048 68.868 0.086 0.000 1.091 142 T HN 1.289 nan 8.240 nan 0.000 0.460 143 S N 2.295 118.110 115.700 0.192 0.000 3.405 143 S HA -0.156 4.314 4.470 -0.001 0.000 0.373 143 S C 1.049 175.709 174.600 0.100 0.000 0.939 143 S CA 0.782 59.075 58.200 0.155 0.000 1.295 143 S CB -1.899 61.463 63.200 0.270 0.000 0.919 143 S HN 1.034 nan 8.310 nan 0.000 0.535 144 T N -2.400 112.174 114.554 0.032 0.000 3.160 144 T HA 0.120 4.469 4.350 -0.001 0.000 0.257 144 T C 0.605 175.432 174.700 0.210 0.000 1.147 144 T CA 0.195 62.337 62.100 0.072 0.000 1.064 144 T CB -0.268 68.625 68.868 0.042 0.000 0.949 144 T HN 0.380 nan 8.240 nan 0.000 0.526 145 F N 2.721 122.692 119.950 0.035 0.000 2.869 145 F HA 0.610 5.136 4.527 -0.001 0.000 0.298 145 F C 0.901 176.784 175.800 0.138 0.000 1.235 145 F CA -1.467 56.591 58.000 0.096 0.000 1.402 145 F CB -1.347 37.737 39.000 0.141 0.000 1.142 145 F HN 0.212 nan 8.300 nan 0.000 0.529 146 S N -0.934 114.861 115.700 0.158 0.000 2.556 146 S HA 0.327 4.797 4.470 -0.001 0.000 0.271 146 S C 0.860 175.432 174.600 -0.046 0.000 1.135 146 S CA -0.553 57.715 58.200 0.113 0.000 0.858 146 S CB 1.277 64.491 63.200 0.023 0.000 1.114 146 S HN 0.322 nan 8.310 nan 0.000 0.468 147 E N 0.918 121.118 120.200 0.001 0.000 2.204 147 E HA -0.039 4.310 4.350 -0.001 0.000 0.195 147 E C -0.692 175.691 176.600 -0.362 0.000 0.990 147 E CA 1.196 57.487 56.400 -0.182 0.000 0.821 147 E CB 0.103 29.799 29.700 -0.007 0.000 0.750 147 E HN 0.571 nan 8.360 nan 0.000 0.477 148 Y N -1.062 119.286 120.300 0.081 0.000 2.433 148 Y HA 0.326 4.875 4.550 -0.001 0.000 0.337 148 Y C -0.025 176.005 175.900 0.218 0.000 1.026 148 Y CA -0.665 57.505 58.100 0.116 0.000 1.037 148 Y CB 2.480 41.006 38.460 0.111 0.000 1.245 148 Y HN -0.300 nan 8.280 nan 0.000 0.443 149 T N 1.887 116.650 114.554 0.349 0.000 2.901 149 T HA 0.810 5.160 4.350 -0.001 0.000 0.293 149 T C -1.849 172.998 174.700 0.244 0.000 1.084 149 T CA -0.551 61.794 62.100 0.407 0.000 1.008 149 T CB 1.236 70.318 68.868 0.357 0.000 1.170 149 T HN 0.332 nan 8.240 nan 0.000 0.509 150 V N 3.478 123.491 119.914 0.165 0.000 2.540 150 V HA 0.780 4.900 4.120 -0.001 0.000 0.302 150 V C -0.063 176.072 176.094 0.070 0.000 1.035 150 V CA -0.597 61.746 62.300 0.071 0.000 0.873 150 V CB 1.350 33.157 31.823 -0.026 0.000 0.992 150 V HN 0.885 nan 8.190 nan 0.000 0.428 151 V N 1.762 121.694 119.914 0.029 0.000 3.102 151 V HA 1.019 5.139 4.120 -0.001 0.000 0.312 151 V C 0.200 176.275 176.094 -0.031 0.000 1.135 151 V CA -0.928 61.369 62.300 -0.005 0.000 1.022 151 V CB 1.849 33.689 31.823 0.028 0.000 1.056 151 V HN 1.172 nan 8.190 nan 0.000 0.436 152 A N 1.616 124.406 122.820 -0.050 0.000 2.483 152 A HA 0.351 4.671 4.320 -0.001 0.000 0.238 152 A C 1.104 178.684 177.584 -0.006 0.000 1.070 152 A CA 0.481 52.497 52.037 -0.035 0.000 0.770 152 A CB -0.046 18.923 19.000 -0.052 0.000 1.008 152 A HN 1.284 nan 8.150 nan 0.000 0.497 153 D N 1.413 121.828 120.400 0.025 0.000 2.350 153 D HA -0.198 4.441 4.640 -0.001 0.000 0.216 153 D C 1.112 177.424 176.300 0.021 0.000 0.968 153 D CA 1.523 55.546 54.000 0.039 0.000 0.894 153 D CB -0.447 40.410 40.800 0.095 0.000 0.909 153 D HN 0.689 nan 8.370 nan 0.000 0.520 154 I N -2.921 117.648 120.570 -0.002 0.000 3.793 154 I HA 0.185 4.354 4.170 -0.001 0.000 0.315 154 I C 0.361 176.459 176.117 -0.033 0.000 1.275 154 I CA -0.215 61.075 61.300 -0.017 0.000 1.214 154 I CB 0.070 38.051 38.000 -0.033 0.000 1.018 154 I HN -0.228 nan 8.210 nan 0.000 0.439 155 S N 1.167 116.846 115.700 -0.034 0.000 2.537 155 S HA 0.417 4.886 4.470 -0.001 0.000 0.246 155 S C 0.052 174.629 174.600 -0.038 0.000 1.036 155 S CA -0.359 57.810 58.200 -0.052 0.000 1.041 155 S CB 0.317 63.487 63.200 -0.051 0.000 0.799 155 S HN 0.203 nan 8.310 nan 0.000 0.456 156 V N 1.600 121.500 119.914 -0.023 0.000 2.638 156 V HA 0.780 4.899 4.120 -0.001 0.000 0.306 156 V C -0.354 175.735 176.094 -0.008 0.000 1.052 156 V CA -0.978 61.315 62.300 -0.011 0.000 0.885 156 V CB 1.607 33.432 31.823 0.003 0.000 0.999 156 V HN 0.355 nan 8.190 nan 0.000 0.424 157 A N 4.006 126.822 122.820 -0.008 0.000 2.287 157 A HA 0.671 4.991 4.320 -0.001 0.000 0.317 157 A C -0.277 177.308 177.584 0.001 0.000 1.220 157 A CA -0.643 51.393 52.037 -0.002 0.000 0.835 157 A CB 0.782 19.782 19.000 -0.001 0.000 1.180 157 A HN 0.793 nan 8.150 nan 0.000 0.500 158 K N 3.609 124.011 120.400 0.004 0.000 2.276 158 K HA 0.540 4.859 4.320 -0.001 0.000 0.285 158 K C -0.347 176.254 176.600 0.003 0.000 1.062 158 K CA -0.261 56.029 56.287 0.005 0.000 0.918 158 K CB 0.266 32.771 32.500 0.007 0.000 1.055 158 K HN 0.752 nan 8.250 nan 0.000 0.477 159 I N -0.685 119.887 120.570 0.003 0.000 3.264 159 I HA 0.401 4.571 4.170 -0.001 0.000 0.309 159 I C -0.218 175.903 176.117 0.006 0.000 1.099 159 I CA -1.155 60.147 61.300 0.003 0.000 0.989 159 I CB 1.322 39.325 38.000 0.004 0.000 1.250 159 I HN 0.463 nan 8.210 nan 0.000 0.478 160 D N 2.721 123.126 120.400 0.009 0.000 2.472 160 D HA 0.075 4.715 4.640 -0.001 0.000 0.248 160 D C -1.722 174.584 176.300 0.010 0.000 1.174 160 D CA -1.187 52.817 54.000 0.008 0.000 0.883 160 D CB 1.418 42.223 40.800 0.008 0.000 1.149 160 D HN 0.321 nan 8.370 nan 0.000 0.488 161 P HA -0.081 nan 4.420 nan 0.000 0.223 161 P C 1.210 178.514 177.300 0.007 0.000 1.144 161 P CA 0.805 63.909 63.100 0.006 0.000 0.783 161 P CB 0.213 31.915 31.700 0.004 0.000 0.771 162 L N -2.213 119.014 121.223 0.006 0.000 2.592 162 L HA 0.196 4.536 4.340 -0.001 0.000 0.227 162 L C 1.058 177.938 176.870 0.017 0.000 1.127 162 L CA -0.493 54.350 54.840 0.004 0.000 0.884 162 L CB -0.438 41.616 42.059 -0.008 0.000 1.065 162 L HN -0.138 nan 8.230 nan 0.000 0.457 163 A N 1.837 124.678 122.820 0.034 0.000 2.488 163 A HA 0.289 4.608 4.320 -0.001 0.000 0.249 163 A C -2.093 175.535 177.584 0.074 0.000 1.083 163 A CA -0.874 51.209 52.037 0.077 0.000 0.768 163 A CB -0.482 18.569 19.000 0.085 0.000 1.017 163 A HN -0.035 nan 8.150 nan 0.000 0.496 164 P HA 0.144 nan 4.420 nan 0.000 0.274 164 P C 0.627 177.955 177.300 0.046 0.000 1.291 164 P CA -0.099 63.048 63.100 0.078 0.000 0.815 164 P CB 0.631 32.400 31.700 0.115 0.000 0.897 165 L N 2.408 123.640 121.223 0.015 0.000 2.191 165 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 165 L C 1.816 178.671 176.870 -0.025 0.000 1.103 165 L CA 1.406 56.240 54.840 -0.010 0.000 0.769 165 L CB -0.778 41.269 42.059 -0.020 0.000 0.908 165 L HN 0.363 nan 8.230 nan 0.000 0.438 166 D N -0.695 119.696 120.400 -0.016 0.000 2.352 166 D HA -0.116 4.524 4.640 -0.001 0.000 0.232 166 D C 1.530 177.815 176.300 -0.025 0.000 1.055 166 D CA 0.642 54.629 54.000 -0.022 0.000 0.891 166 D CB 0.319 41.112 40.800 -0.011 0.000 0.897 166 D HN 0.195 nan 8.370 nan 0.000 0.529 167 K N -0.130 120.248 120.400 -0.038 0.000 2.431 167 K HA 0.092 4.412 4.320 -0.001 0.000 0.213 167 K C 1.926 178.423 176.600 -0.170 0.000 1.258 167 K CA 0.973 57.207 56.287 -0.090 0.000 0.845 167 K CB -0.389 32.067 32.500 -0.073 0.000 1.498 167 K HN 0.002 nan 8.250 nan 0.000 0.451 168 V N 0.839 120.653 119.914 -0.167 0.000 2.982 168 V HA -0.225 3.895 4.120 -0.001 0.000 0.265 168 V C 2.030 178.054 176.094 -0.117 0.000 1.122 168 V CA 1.643 63.837 62.300 -0.178 0.000 1.143 168 V CB -1.947 29.824 31.823 -0.086 0.000 0.726 168 V HN 0.428 nan 8.190 nan 0.000 0.507 169 C N -0.283 118.964 119.300 -0.088 0.000 2.410 169 C HA -0.019 4.440 4.460 -0.001 0.000 0.281 169 C C 2.384 177.329 174.990 -0.075 0.000 1.318 169 C CA 0.569 59.547 59.018 -0.066 0.000 1.776 169 C CB -1.912 25.795 27.740 -0.056 0.000 1.942 169 C HN 0.581 nan 8.230 nan 0.000 0.508 170 L N 0.362 121.518 121.223 -0.111 0.000 2.376 170 L HA 0.022 4.362 4.340 -0.001 0.000 0.219 170 L C 2.519 179.306 176.870 -0.139 0.000 1.133 170 L CA 0.863 55.622 54.840 -0.134 0.000 0.816 170 L CB -0.505 41.443 42.059 -0.185 0.000 0.933 170 L HN 0.375 nan 8.230 nan 0.000 0.449 171 L N -0.207 120.939 121.223 -0.129 0.000 2.610 171 L HA -0.006 4.334 4.340 -0.001 0.000 0.232 171 L C 2.241 179.160 176.870 0.081 0.000 1.149 171 L CA 0.394 55.176 54.840 -0.096 0.000 0.872 171 L CB -0.524 41.459 42.059 -0.128 0.000 0.992 171 L HN 0.257 nan 8.230 nan 0.000 0.447 172 G N -1.832 107.028 108.800 0.099 0.000 2.813 172 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.209 172 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.209 172 G C 0.818 175.971 174.900 0.423 0.000 1.150 172 G CA 0.598 45.821 45.100 0.204 0.000 0.785 172 G HN 0.447 nan 8.290 nan 0.000 0.535 173 C N -2.231 117.294 119.300 0.374 0.000 3.421 173 C HA 0.554 5.013 4.460 -0.001 0.000 0.102 173 C C 2.842 178.002 174.990 0.284 0.000 2.664 173 C CA 1.432 60.729 59.018 0.465 0.000 0.896 173 C CB -0.107 27.811 27.740 0.295 0.000 1.719 173 C HN 0.320 nan 8.230 nan 0.000 0.604 174 G N 1.667 110.542 108.800 0.125 0.000 2.529 174 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.219 174 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.219 174 G C 1.357 176.203 174.900 -0.091 0.000 1.177 174 G CA 1.722 46.840 45.100 0.031 0.000 0.773 174 G HN 0.719 nan 8.290 nan 0.000 0.573 175 I N 0.769 121.162 120.570 -0.295 0.000 2.142 175 I HA -0.190 3.979 4.170 -0.001 0.000 0.240 175 I C 3.072 179.111 176.117 -0.130 0.000 1.078 175 I CA 1.452 62.497 61.300 -0.426 0.000 1.343 175 I CB -0.454 37.140 38.000 -0.678 0.000 1.046 175 I HN 0.119 nan 8.210 nan 0.000 0.405 176 S N 0.223 115.846 115.700 -0.128 0.000 2.383 176 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 176 S C 2.031 176.658 174.600 0.045 0.000 1.030 176 S CA 1.940 60.067 58.200 -0.122 0.000 1.002 176 S CB -0.425 62.459 63.200 -0.526 0.000 0.829 176 S HN 0.480 nan 8.310 nan 0.000 0.467 177 T N 1.579 116.120 114.554 -0.022 0.000 2.643 177 T HA -0.052 4.298 4.350 -0.001 0.000 0.264 177 T C 2.118 176.864 174.700 0.077 0.000 1.045 177 T CA 1.424 63.555 62.100 0.052 0.000 1.155 177 T CB -0.972 67.991 68.868 0.158 0.000 0.863 177 T HN 0.539 nan 8.240 nan 0.000 0.420 178 G N 0.046 108.894 108.800 0.079 0.000 2.418 178 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 178 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 178 G C 1.440 176.390 174.900 0.083 0.000 1.158 178 G CA 0.824 45.958 45.100 0.057 0.000 0.771 178 G HN 0.497 nan 8.290 nan 0.000 0.545 179 Y N 2.111 122.427 120.300 0.026 0.000 2.145 179 Y HA -0.048 4.502 4.550 -0.001 0.000 0.286 179 Y C 2.738 178.700 175.900 0.104 0.000 1.145 179 Y CA 1.447 59.599 58.100 0.087 0.000 1.148 179 Y CB -0.731 37.823 38.460 0.157 0.000 0.981 179 Y HN 0.106 nan 8.280 nan 0.000 0.507 180 G N -0.354 108.488 108.800 0.070 0.000 2.422 180 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 180 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 180 G C 1.868 176.553 174.900 -0.359 0.000 1.140 180 G CA 0.925 45.736 45.100 -0.481 0.000 0.775 180 G HN 0.621 nan 8.290 nan 0.000 0.545 181 A N 1.139 123.881 122.820 -0.129 0.000 1.948 181 A HA 0.171 4.490 4.320 -0.001 0.000 0.220 181 A C 2.767 180.421 177.584 0.117 0.000 1.177 181 A CA 2.438 54.492 52.037 0.030 0.000 0.636 181 A CB -0.680 18.407 19.000 0.145 0.000 0.815 181 A HN 0.730 nan 8.150 nan 0.000 0.449 182 A N -0.456 122.328 122.820 -0.059 0.000 1.855 182 A HA 0.100 4.419 4.320 -0.001 0.000 0.213 182 A C 2.253 179.766 177.584 -0.117 0.000 1.195 182 A CA 1.984 53.984 52.037 -0.061 0.000 0.610 182 A CB -1.015 17.858 19.000 -0.212 0.000 0.837 182 A HN 1.134 nan 8.150 nan 0.000 0.444 183 V N -2.459 117.300 119.914 -0.259 0.000 3.052 183 V HA 0.038 4.157 4.120 -0.001 0.000 0.254 183 V C 1.320 177.220 176.094 -0.324 0.000 1.100 183 V CA 1.866 63.991 62.300 -0.291 0.000 1.112 183 V CB -0.872 30.730 31.823 -0.369 0.000 0.738 183 V HN 0.529 nan 8.190 nan 0.000 0.469 184 N N 0.364 118.811 118.700 -0.422 0.000 2.508 184 N HA 0.011 4.751 4.740 -0.001 0.000 0.186 184 N C 1.736 177.106 175.510 -0.232 0.000 1.034 184 N CA 1.091 53.892 53.050 -0.415 0.000 0.885 184 N CB 0.130 38.199 38.487 -0.697 0.000 1.135 184 N HN 0.363 nan 8.380 nan 0.000 0.435 185 T N 0.507 114.956 114.554 -0.174 0.000 2.814 185 T HA 0.074 4.424 4.350 -0.001 0.000 0.254 185 T C 2.033 176.732 174.700 -0.002 0.000 1.037 185 T CA 1.091 63.153 62.100 -0.063 0.000 1.143 185 T CB -0.236 68.623 68.868 -0.015 0.000 0.866 185 T HN 0.219 nan 8.240 nan 0.000 0.431 186 A N 1.076 123.915 122.820 0.031 0.000 1.898 186 A HA 0.102 4.422 4.320 -0.001 0.000 0.214 186 A C 1.042 178.586 177.584 -0.067 0.000 1.183 186 A CA 0.934 52.991 52.037 0.034 0.000 0.622 186 A CB -0.363 18.650 19.000 0.022 0.000 0.824 186 A HN 0.548 nan 8.150 nan 0.000 0.444 187 K N -0.809 119.517 120.400 -0.123 0.000 3.148 187 K HA -0.169 4.150 4.320 -0.001 0.000 0.267 187 K C -0.325 176.158 176.600 -0.195 0.000 0.996 187 K CA 0.482 56.693 56.287 -0.128 0.000 0.737 187 K CB -2.143 30.321 32.500 -0.060 0.000 1.308 187 K HN 0.708 nan 8.250 nan 0.000 0.470 188 L N -1.217 119.758 121.223 -0.413 0.000 2.483 188 L HA 0.210 4.550 4.340 -0.001 0.000 0.276 188 L C 0.356 177.118 176.870 -0.180 0.000 1.213 188 L CA -0.098 54.382 54.840 -0.601 0.000 0.843 188 L CB 0.513 42.107 42.059 -0.775 0.000 1.107 188 L HN -0.038 nan 8.230 nan 0.000 0.487 189 E N 2.687 122.863 120.200 -0.040 0.000 2.283 189 E HA 0.448 4.798 4.350 -0.001 0.000 0.267 189 E C -2.348 174.258 176.600 0.009 0.000 1.045 189 E CA -1.902 54.499 56.400 0.002 0.000 0.884 189 E CB 0.140 29.856 29.700 0.027 0.000 1.106 189 E HN 0.523 nan 8.360 nan 0.000 0.408 190 P HA 0.049 nan 4.420 nan 0.000 0.265 190 P C 0.533 177.843 177.300 0.016 0.000 1.193 190 P CA 1.150 64.256 63.100 0.010 0.000 0.765 190 P CB 0.534 32.237 31.700 0.005 0.000 0.823 191 G N 1.529 110.344 108.800 0.026 0.000 2.217 191 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.246 191 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.246 191 G C 0.445 175.377 174.900 0.053 0.000 0.990 191 G CA -0.047 45.069 45.100 0.027 0.000 0.627 191 G HN 0.576 nan 8.290 nan 0.000 0.522 192 S N -0.261 115.491 115.700 0.087 0.000 2.563 192 S HA 0.391 4.861 4.470 -0.001 0.000 0.284 192 S C 0.603 175.305 174.600 0.170 0.000 1.331 192 S CA 0.094 58.395 58.200 0.169 0.000 1.047 192 S CB 1.859 65.216 63.200 0.262 0.000 0.859 192 S HN 0.726 nan 8.310 nan 0.000 0.514 193 V N 3.334 123.369 119.914 0.201 0.000 2.364 193 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 193 V C 0.067 176.296 176.094 0.226 0.000 1.036 193 V CA -0.485 61.917 62.300 0.170 0.000 0.880 193 V CB 0.294 32.203 31.823 0.142 0.000 0.991 193 V HN 1.030 nan 8.190 nan 0.000 0.460 194 C N 3.869 123.292 119.300 0.205 0.000 2.667 194 C HA 0.968 5.428 4.460 -0.001 0.000 0.323 194 C C 0.361 175.460 174.990 0.182 0.000 1.214 194 C CA -0.875 58.304 59.018 0.269 0.000 1.721 194 C CB 1.363 29.305 27.740 0.336 0.000 2.275 194 C HN 0.948 nan 8.230 nan 0.000 0.491 195 A N 1.079 124.034 122.820 0.225 0.000 2.374 195 A HA 0.805 5.125 4.320 -0.001 0.000 0.305 195 A C -1.334 176.371 177.584 0.202 0.000 1.053 195 A CA -0.302 51.783 52.037 0.079 0.000 0.726 195 A CB 1.046 20.050 19.000 0.006 0.000 1.229 195 A HN 0.768 nan 8.150 nan 0.000 0.431 196 V N 2.723 122.657 119.914 0.033 0.000 2.376 196 V HA 0.403 4.523 4.120 -0.001 0.000 0.287 196 V C -1.249 174.858 176.094 0.022 0.000 1.015 196 V CA -0.268 62.127 62.300 0.159 0.000 0.834 196 V CB 0.729 32.601 31.823 0.081 0.000 1.001 196 V HN 0.694 nan 8.190 nan 0.000 0.428 197 F N 2.879 122.919 119.950 0.150 0.000 2.404 197 F HA 0.715 5.242 4.527 -0.001 0.000 0.358 197 F C 0.972 176.839 175.800 0.112 0.000 1.120 197 F CA -0.149 57.923 58.000 0.120 0.000 1.144 197 F CB 1.332 40.398 39.000 0.109 0.000 1.133 197 F HN 0.757 nan 8.300 nan 0.000 0.495 198 G N 4.042 112.981 108.800 0.231 0.000 3.445 198 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.686 198 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.686 198 G C -0.830 174.146 174.900 0.126 0.000 1.113 198 G CA -1.109 44.093 45.100 0.168 0.000 0.974 198 G HN 0.695 nan 8.290 nan 0.000 0.492 199 L N 2.764 124.055 121.223 0.114 0.000 3.108 199 L HA 0.460 4.800 4.340 -0.001 0.000 0.251 199 L C 1.531 178.438 176.870 0.062 0.000 1.315 199 L CA 0.087 54.980 54.840 0.088 0.000 1.048 199 L CB 0.105 42.247 42.059 0.139 0.000 1.432 199 L HN 0.733 nan 8.230 nan 0.000 0.543 200 G N -0.650 108.189 108.800 0.066 0.000 2.543 200 G HA2 0.358 4.317 3.960 -0.001 0.000 0.267 200 G HA3 0.358 4.317 3.960 -0.001 0.000 0.267 200 G C 1.040 175.988 174.900 0.079 0.000 1.406 200 G CA 0.200 45.346 45.100 0.077 0.000 1.048 200 G HN 0.243 nan 8.290 nan 0.000 0.548 201 G N -1.199 107.683 108.800 0.137 0.000 2.469 201 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.220 201 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.220 201 G C 1.621 176.625 174.900 0.174 0.000 1.136 201 G CA 1.529 46.768 45.100 0.232 0.000 0.759 201 G HN 0.404 nan 8.290 nan 0.000 0.562 202 V N 1.372 121.349 119.914 0.106 0.000 2.307 202 V HA -0.030 4.090 4.120 -0.001 0.000 0.245 202 V C 3.147 179.275 176.094 0.056 0.000 1.045 202 V CA 1.976 64.324 62.300 0.081 0.000 1.024 202 V CB -1.094 30.784 31.823 0.091 0.000 0.651 202 V HN 0.432 nan 8.190 nan 0.000 0.449 203 G N -0.161 108.669 108.800 0.051 0.000 2.422 203 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 203 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 203 G C 1.598 176.462 174.900 -0.059 0.000 1.146 203 G CA 0.909 46.021 45.100 0.020 0.000 0.769 203 G HN 0.461 nan 8.290 nan 0.000 0.547 204 L N 0.594 121.743 121.223 -0.123 0.000 2.083 204 L HA -0.037 4.302 4.340 -0.001 0.000 0.209 204 L C 3.375 180.062 176.870 -0.304 0.000 1.083 204 L CA 0.947 55.533 54.840 -0.423 0.000 0.752 204 L CB -0.363 41.153 42.059 -0.905 0.000 0.899 204 L HN 0.303 nan 8.230 nan 0.000 0.433 205 A N -0.448 122.386 122.820 0.023 0.000 1.930 205 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 205 A C 2.341 179.965 177.584 0.066 0.000 1.175 205 A CA 1.480 53.606 52.037 0.149 0.000 0.627 205 A CB -0.660 18.395 19.000 0.092 0.000 0.815 205 A HN 0.188 nan 8.150 nan 0.000 0.443 206 V N 0.251 120.133 119.914 -0.054 0.000 2.307 206 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 206 V C 2.416 178.394 176.094 -0.192 0.000 1.045 206 V CA 1.971 64.134 62.300 -0.229 0.000 1.024 206 V CB -0.638 30.928 31.823 -0.429 0.000 0.651 206 V HN 0.580 nan 8.190 nan 0.000 0.449 207 I N -0.544 119.958 120.570 -0.114 0.000 2.163 207 I HA -0.370 3.800 4.170 -0.001 0.000 0.243 207 I C 2.541 178.693 176.117 0.058 0.000 1.085 207 I CA 2.255 63.535 61.300 -0.034 0.000 1.347 207 I CB -0.347 37.653 38.000 -0.001 0.000 1.044 207 I HN 0.343 nan 8.210 nan 0.000 0.408 208 M N 0.774 120.446 119.600 0.120 0.000 2.108 208 M HA -0.188 4.292 4.480 -0.001 0.000 0.261 208 M C 2.174 178.594 176.300 0.200 0.000 1.066 208 M CA 2.420 57.850 55.300 0.216 0.000 1.107 208 M CB -0.500 32.270 32.600 0.284 0.000 1.356 208 M HN 0.283 nan 8.290 nan 0.000 0.406 209 G N -0.669 108.276 108.800 0.242 0.000 2.402 209 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 209 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 209 G C 1.407 176.373 174.900 0.111 0.000 1.162 209 G CA 0.961 46.252 45.100 0.319 0.000 0.777 209 G HN 0.579 nan 8.290 nan 0.000 0.539 210 C N 0.072 119.379 119.300 0.011 0.000 2.425 210 C HA 0.046 4.506 4.460 -0.001 0.000 0.277 210 C C 2.765 177.782 174.990 0.046 0.000 1.280 210 C CA 1.164 60.182 59.018 0.001 0.000 1.744 210 C CB -0.407 27.324 27.740 -0.015 0.000 1.989 210 C HN 0.425 nan 8.230 nan 0.000 0.491 211 K N 1.085 121.527 120.400 0.069 0.000 2.057 211 K HA -0.049 4.271 4.320 -0.001 0.000 0.206 211 K C 1.801 178.448 176.600 0.078 0.000 1.050 211 K CA 1.269 57.599 56.287 0.070 0.000 0.935 211 K CB -0.617 31.930 32.500 0.079 0.000 0.715 211 K HN 0.291 nan 8.250 nan 0.000 0.439 212 V N 0.749 120.733 119.914 0.118 0.000 2.407 212 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 212 V C 2.090 178.241 176.094 0.095 0.000 1.055 212 V CA 1.957 64.338 62.300 0.135 0.000 1.049 212 V CB -0.704 31.276 31.823 0.261 0.000 0.662 212 V HN 0.438 nan 8.190 nan 0.000 0.455 213 A N -0.665 122.198 122.820 0.071 0.000 2.235 213 A HA 0.367 4.687 4.320 -0.001 0.000 0.208 213 A C 1.849 179.447 177.584 0.023 0.000 1.172 213 A CA 0.968 53.022 52.037 0.029 0.000 0.786 213 A CB -0.549 18.443 19.000 -0.013 0.000 0.804 213 A HN 1.286 nan 8.150 nan 0.000 0.479 214 G N -1.547 107.273 108.800 0.034 0.000 2.171 214 G HA2 0.123 4.083 3.960 -0.001 0.000 0.238 214 G HA3 0.123 4.083 3.960 -0.001 0.000 0.238 214 G C 0.353 175.271 174.900 0.031 0.000 1.039 214 G CA 0.263 45.380 45.100 0.029 0.000 0.759 214 G HN 1.574 nan 8.290 nan 0.000 0.501 215 A N 0.084 122.927 122.820 0.038 0.000 2.498 215 A HA 0.659 4.979 4.320 -0.001 0.000 0.239 215 A C 1.724 179.337 177.584 0.048 0.000 1.068 215 A CA 1.227 53.295 52.037 0.053 0.000 0.766 215 A CB 0.338 19.378 19.000 0.066 0.000 1.003 215 A HN 1.782 nan 8.150 nan 0.000 0.497 216 S N 1.931 117.663 115.700 0.053 0.000 2.388 216 S HA 0.081 4.550 4.470 -0.001 0.000 0.223 216 S C 0.919 175.544 174.600 0.042 0.000 1.034 216 S CA 0.751 58.976 58.200 0.041 0.000 0.963 216 S CB -0.015 63.208 63.200 0.038 0.000 0.827 216 S HN 0.773 nan 8.310 nan 0.000 0.481 217 R N 0.137 120.670 120.500 0.055 0.000 2.532 217 R HA 0.648 4.987 4.340 -0.001 0.000 0.297 217 R C -1.944 174.390 176.300 0.057 0.000 0.984 217 R CA -0.594 55.534 56.100 0.046 0.000 0.884 217 R CB 1.325 31.652 30.300 0.044 0.000 1.182 217 R HN 0.336 nan 8.270 nan 0.000 0.442 218 I N 6.567 127.159 120.570 0.037 0.000 2.448 218 I HA 0.326 4.496 4.170 -0.001 0.000 0.281 218 I C -0.409 175.706 176.117 -0.005 0.000 1.027 218 I CA -0.578 60.744 61.300 0.037 0.000 1.111 218 I CB 1.774 39.796 38.000 0.036 0.000 1.236 218 I HN 0.475 nan 8.210 nan 0.000 0.452 219 I N 5.455 126.012 120.570 -0.022 0.000 2.297 219 I HA 0.350 4.520 4.170 -0.001 0.000 0.291 219 I C 0.946 176.980 176.117 -0.138 0.000 1.033 219 I CA -0.249 60.997 61.300 -0.091 0.000 1.253 219 I CB 1.240 39.176 38.000 -0.107 0.000 1.396 219 I HN 0.585 nan 8.210 nan 0.000 0.476 220 G N 5.669 114.372 108.800 -0.161 0.000 2.395 220 G HA2 0.544 4.503 3.960 -0.001 0.000 0.283 220 G HA3 0.544 4.503 3.960 -0.001 0.000 0.283 220 G C -0.668 174.102 174.900 -0.217 0.000 1.178 220 G CA -0.236 44.771 45.100 -0.155 0.000 0.837 220 G HN 0.369 nan 8.290 nan 0.000 0.518 221 V N 2.742 122.561 119.914 -0.159 0.000 2.577 221 V HA 0.578 4.698 4.120 -0.001 0.000 0.303 221 V C -0.947 175.225 176.094 0.129 0.000 1.042 221 V CA -0.721 61.517 62.300 -0.103 0.000 0.872 221 V CB 1.881 33.456 31.823 -0.413 0.000 0.998 221 V HN 0.831 nan 8.190 nan 0.000 0.423 222 D N 2.459 123.048 120.400 0.315 0.000 2.706 222 D HA 0.331 4.971 4.640 -0.001 0.000 0.225 222 D C 0.506 176.955 176.300 0.249 0.000 1.241 222 D CA -0.465 53.708 54.000 0.288 0.000 0.784 222 D CB 2.442 43.414 40.800 0.286 0.000 1.521 222 D HN 0.502 nan 8.370 nan 0.000 0.461 223 I N -0.330 120.325 120.570 0.141 0.000 3.428 223 I HA 0.192 4.361 4.170 -0.001 0.000 0.286 223 I C 0.521 176.634 176.117 -0.008 0.000 1.287 223 I CA 0.169 61.525 61.300 0.093 0.000 1.396 223 I CB -0.060 37.992 38.000 0.086 0.000 1.062 223 I HN -0.037 nan 8.210 nan 0.000 0.471 224 N N 2.944 121.600 118.700 -0.073 0.000 2.621 224 N HA 0.120 4.859 4.740 -0.001 0.000 0.237 224 N C 0.882 176.110 175.510 -0.469 0.000 0.997 224 N CA -0.453 52.495 53.050 -0.171 0.000 0.918 224 N CB 1.050 39.489 38.487 -0.080 0.000 1.122 224 N HN 0.380 nan 8.380 nan 0.000 0.510 225 K N 1.424 121.433 120.400 -0.653 0.000 2.360 225 K HA -0.097 4.223 4.320 -0.001 0.000 0.201 225 K C 0.022 176.178 176.600 -0.740 0.000 1.046 225 K CA 0.984 56.525 56.287 -1.243 0.000 0.940 225 K CB 0.256 32.387 32.500 -0.616 0.000 0.748 225 K HN 0.269 nan 8.250 nan 0.000 0.465 226 D N 1.465 121.650 120.400 -0.357 0.000 2.310 226 D HA -0.079 4.560 4.640 -0.001 0.000 0.212 226 D C 1.355 177.598 176.300 -0.095 0.000 0.965 226 D CA 0.800 54.706 54.000 -0.157 0.000 0.879 226 D CB 0.153 40.906 40.800 -0.078 0.000 0.921 226 D HN 0.239 nan 8.370 nan 0.000 0.510 227 K N 0.203 120.520 120.400 -0.137 0.000 2.366 227 K HA -0.003 4.317 4.320 -0.001 0.000 0.198 227 K C 1.821 178.547 176.600 0.209 0.000 1.044 227 K CA 0.060 56.367 56.287 0.033 0.000 0.973 227 K CB -0.270 32.266 32.500 0.060 0.000 0.767 227 K HN 0.156 nan 8.250 nan 0.000 0.475 228 F N 1.752 121.723 119.950 0.035 0.000 2.095 228 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 228 F C 2.525 178.347 175.800 0.036 0.000 1.104 228 F CA 0.618 58.638 58.000 0.033 0.000 1.232 228 F CB -1.534 37.485 39.000 0.031 0.000 0.987 228 F HN 0.002 nan 8.300 nan 0.000 0.475 229 A N 0.130 123.085 122.820 0.226 0.000 1.873 229 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 229 A C 2.435 180.086 177.584 0.112 0.000 1.193 229 A CA 2.260 54.375 52.037 0.131 0.000 0.629 229 A CB -0.987 18.064 19.000 0.084 0.000 0.826 229 A HN 0.342 nan 8.150 nan 0.000 0.447 230 R N -0.614 119.960 120.500 0.124 0.000 2.115 230 R HA -0.028 4.312 4.340 -0.001 0.000 0.230 230 R C 2.262 178.710 176.300 0.247 0.000 1.111 230 R CA 1.294 57.486 56.100 0.153 0.000 0.976 230 R CB -0.392 29.999 30.300 0.151 0.000 0.870 230 R HN 0.458 nan 8.270 nan 0.000 0.445 231 A N 1.142 124.078 122.820 0.195 0.000 1.933 231 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 231 A C 1.899 179.573 177.584 0.151 0.000 1.175 231 A CA 1.590 53.728 52.037 0.167 0.000 0.628 231 A CB -0.266 18.813 19.000 0.132 0.000 0.814 231 A HN 0.339 nan 8.150 nan 0.000 0.444 232 K N -0.298 120.166 120.400 0.107 0.000 2.155 232 K HA -0.087 4.232 4.320 -0.001 0.000 0.203 232 K C 1.842 178.467 176.600 0.042 0.000 1.052 232 K CA 1.312 57.634 56.287 0.059 0.000 0.948 232 K CB -0.122 32.401 32.500 0.039 0.000 0.728 232 K HN 0.614 nan 8.250 nan 0.000 0.448 233 E N 0.056 120.275 120.200 0.032 0.000 2.153 233 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 233 E C 1.498 178.008 176.600 -0.150 0.000 0.988 233 E CA 0.966 57.321 56.400 -0.076 0.000 0.811 233 E CB -0.084 29.537 29.700 -0.133 0.000 0.746 233 E HN 0.245 nan 8.360 nan 0.000 0.466 234 F N -0.547 119.366 119.950 -0.062 0.000 2.661 234 F HA 0.085 4.611 4.527 -0.001 0.000 0.298 234 F C 1.711 177.489 175.800 -0.036 0.000 1.137 234 F CA 1.072 59.031 58.000 -0.068 0.000 1.454 234 F CB 0.831 39.774 39.000 -0.094 0.000 1.103 234 F HN 0.133 nan 8.300 nan 0.000 0.577 235 G N -0.818 108.050 108.800 0.113 0.000 2.273 235 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.162 235 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.162 235 G C 0.216 175.146 174.900 0.051 0.000 1.006 235 G CA -0.421 44.720 45.100 0.068 0.000 0.704 235 G HN 0.449 nan 8.290 nan 0.000 0.487 236 A N 1.268 124.120 122.820 0.053 0.000 2.524 236 A HA 0.543 4.862 4.320 -0.001 0.000 0.250 236 A C 1.735 179.317 177.584 -0.003 0.000 1.078 236 A CA 1.580 53.625 52.037 0.014 0.000 0.761 236 A CB 0.163 19.160 19.000 -0.006 0.000 1.012 236 A HN 1.326 nan 8.150 nan 0.000 0.500 237 T N -0.193 114.355 114.554 -0.010 0.000 2.995 237 T HA 0.136 4.485 4.350 -0.001 0.000 0.269 237 T C 0.397 175.076 174.700 -0.034 0.000 1.091 237 T CA 1.117 63.209 62.100 -0.013 0.000 1.128 237 T CB -0.516 68.350 68.868 -0.003 0.000 0.891 237 T HN 0.954 nan 8.240 nan 0.000 0.492 238 E N -1.422 118.738 120.200 -0.066 0.000 2.392 238 E HA 0.514 4.864 4.350 -0.001 0.000 0.281 238 E C -1.987 174.489 176.600 -0.207 0.000 1.088 238 E CA -1.282 55.052 56.400 -0.110 0.000 0.850 238 E CB 0.675 30.326 29.700 -0.080 0.000 1.267 238 E HN 0.111 nan 8.360 nan 0.000 0.438 239 C N 1.604 120.692 119.300 -0.354 0.000 2.563 239 C HA 0.802 5.261 4.460 -0.001 0.000 0.314 239 C C -0.406 174.186 174.990 -0.664 0.000 1.199 239 C CA -0.504 58.101 59.018 -0.688 0.000 1.564 239 C CB 0.510 27.421 27.740 -1.381 0.000 2.173 239 C HN 0.690 nan 8.230 nan 0.000 0.485 240 I N 0.698 120.986 120.570 -0.469 0.000 2.730 240 I HA 0.604 4.774 4.170 -0.001 0.000 0.298 240 I C -0.989 175.255 176.117 0.213 0.000 1.089 240 I CA -0.374 60.896 61.300 -0.050 0.000 1.041 240 I CB 1.832 39.865 38.000 0.055 0.000 1.235 240 I HN 0.487 nan 8.210 nan 0.000 0.423 241 N N 5.479 124.452 118.700 0.456 0.000 2.444 241 N HA 0.448 5.187 4.740 -0.001 0.000 0.262 241 N C -2.130 173.630 175.510 0.417 0.000 0.974 241 N CA -2.450 50.867 53.050 0.446 0.000 0.933 241 N CB 1.950 40.651 38.487 0.357 0.000 1.137 241 N HN 0.372 nan 8.380 nan 0.000 0.498 242 P HA -0.132 nan 4.420 nan 0.000 0.218 242 P C 0.649 178.138 177.300 0.314 0.000 1.146 242 P CA 1.372 64.673 63.100 0.335 0.000 0.813 242 P CB 0.356 32.193 31.700 0.229 0.000 0.778 243 Q N -1.008 118.916 119.800 0.207 0.000 2.437 243 Q HA -0.109 4.231 4.340 -0.001 0.000 0.210 243 Q C 0.838 176.864 176.000 0.045 0.000 0.972 243 Q CA 0.792 56.666 55.803 0.118 0.000 0.903 243 Q CB -0.306 28.480 28.738 0.079 0.000 0.967 243 Q HN 0.352 nan 8.270 nan 0.000 0.486 244 D N -0.613 119.774 120.400 -0.022 0.000 2.339 244 D HA 0.054 4.694 4.640 -0.001 0.000 0.217 244 D C -0.516 175.382 176.300 -0.669 0.000 1.050 244 D CA 0.478 54.266 54.000 -0.354 0.000 0.856 244 D CB 0.269 40.776 40.800 -0.488 0.000 0.922 244 D HN 0.059 nan 8.370 nan 0.000 0.518 245 F N -0.141 119.836 119.950 0.046 0.000 2.563 245 F HA 0.184 4.711 4.527 -0.001 0.000 0.316 245 F C 1.553 177.375 175.800 0.035 0.000 1.076 245 F CA -0.999 57.024 58.000 0.038 0.000 0.921 245 F CB 1.682 40.704 39.000 0.037 0.000 1.209 245 F HN -0.318 nan 8.300 nan 0.000 0.462 246 S N -0.174 115.644 115.700 0.197 0.000 2.458 246 S HA 0.159 4.629 4.470 -0.001 0.000 0.223 246 S C 0.418 175.088 174.600 0.117 0.000 1.019 246 S CA 0.010 58.282 58.200 0.121 0.000 0.937 246 S CB -0.272 62.975 63.200 0.078 0.000 0.788 246 S HN 0.540 nan 8.310 nan 0.000 0.511 247 K N 2.079 122.560 120.400 0.136 0.000 2.126 247 K HA 0.440 4.759 4.320 -0.001 0.000 0.257 247 K C -2.849 173.796 176.600 0.076 0.000 1.007 247 K CA -2.221 54.116 56.287 0.083 0.000 0.928 247 K CB -0.055 32.480 32.500 0.059 0.000 1.013 247 K HN 0.061 nan 8.250 nan 0.000 0.473 248 P HA -0.066 nan 4.420 nan 0.000 0.266 248 P C 0.564 177.879 177.300 0.025 0.000 1.195 248 P CA -0.056 63.069 63.100 0.041 0.000 0.768 248 P CB 0.367 32.079 31.700 0.020 0.000 0.838 249 I N 2.879 123.480 120.570 0.052 0.000 2.248 249 I HA -0.299 3.871 4.170 -0.001 0.000 0.248 249 I C 2.021 178.152 176.117 0.024 0.000 1.107 249 I CA 1.702 63.026 61.300 0.039 0.000 1.373 249 I CB -0.650 37.452 38.000 0.170 0.000 1.055 249 I HN 0.406 nan 8.210 nan 0.000 0.418 250 Q N 0.025 119.850 119.800 0.041 0.000 2.167 250 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 250 Q C 1.856 177.836 176.000 -0.034 0.000 0.970 250 Q CA 1.843 57.657 55.803 0.017 0.000 0.855 250 Q CB -0.801 27.924 28.738 -0.022 0.000 0.911 250 Q HN 0.631 nan 8.270 nan 0.000 0.438 251 E N 0.719 120.893 120.200 -0.043 0.000 2.072 251 E HA -0.087 4.263 4.350 -0.001 0.000 0.190 251 E C 2.253 178.802 176.600 -0.086 0.000 0.982 251 E CA 1.187 57.554 56.400 -0.055 0.000 0.803 251 E CB 0.118 29.797 29.700 -0.034 0.000 0.755 251 E HN 0.162 nan 8.360 nan 0.000 0.453 252 V N 1.522 121.352 119.914 -0.139 0.000 2.295 252 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 252 V C 2.326 178.299 176.094 -0.203 0.000 1.049 252 V CA 1.517 63.664 62.300 -0.256 0.000 1.024 252 V CB -0.449 31.027 31.823 -0.578 0.000 0.648 252 V HN 0.271 nan 8.190 nan 0.000 0.447 253 L N -0.789 120.341 121.223 -0.154 0.000 2.046 253 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 253 L C 2.382 179.213 176.870 -0.065 0.000 1.077 253 L CA 1.611 56.391 54.840 -0.101 0.000 0.747 253 L CB -0.454 41.580 42.059 -0.043 0.000 0.896 253 L HN 0.268 nan 8.230 nan 0.000 0.432 254 I N -0.274 120.257 120.570 -0.066 0.000 2.208 254 I HA -0.322 3.848 4.170 -0.001 0.000 0.245 254 I C 2.610 178.694 176.117 -0.054 0.000 1.097 254 I CA 1.473 62.731 61.300 -0.069 0.000 1.363 254 I CB -0.238 37.708 38.000 -0.090 0.000 1.051 254 I HN 0.360 nan 8.210 nan 0.000 0.413 255 E N 0.936 121.101 120.200 -0.057 0.000 2.106 255 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 255 E C 2.323 178.907 176.600 -0.027 0.000 0.984 255 E CA 1.093 57.469 56.400 -0.040 0.000 0.806 255 E CB 0.024 29.700 29.700 -0.040 0.000 0.750 255 E HN 0.425 nan 8.360 nan 0.000 0.458 256 M N -0.103 119.472 119.600 -0.043 0.000 2.394 256 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 256 M C 1.595 177.894 176.300 -0.003 0.000 1.073 256 M CA 1.498 56.780 55.300 -0.029 0.000 1.111 256 M CB 0.279 32.845 32.600 -0.057 0.000 1.401 256 M HN 0.129 nan 8.290 nan 0.000 0.448 257 T N -4.847 109.712 114.554 0.008 0.000 3.145 257 T HA 0.170 4.520 4.350 -0.001 0.000 0.281 257 T C 0.103 174.849 174.700 0.077 0.000 1.003 257 T CA -0.272 61.855 62.100 0.046 0.000 0.901 257 T CB -0.102 68.803 68.868 0.062 0.000 1.112 257 T HN 0.301 nan 8.240 nan 0.000 0.535 258 D N 0.724 121.152 120.400 0.047 0.000 2.735 258 D HA -0.066 4.574 4.640 -0.001 0.000 0.235 258 D C 1.149 177.495 176.300 0.078 0.000 1.175 258 D CA 1.844 55.877 54.000 0.055 0.000 0.683 258 D CB -1.362 39.483 40.800 0.074 0.000 1.008 258 D HN 0.921 nan 8.370 nan 0.000 0.416 259 G N -1.012 107.776 108.800 -0.021 0.000 2.705 259 G HA2 0.417 4.376 3.960 -0.001 0.000 0.193 259 G HA3 0.417 4.376 3.960 -0.001 0.000 0.193 259 G C 0.997 175.724 174.900 -0.288 0.000 1.015 259 G CA 0.593 45.546 45.100 -0.244 0.000 0.743 259 G HN 1.726 nan 8.290 nan 0.000 0.476 260 G N -1.547 107.242 108.800 -0.018 0.000 2.357 260 G HA2 0.495 4.454 3.960 -0.001 0.000 0.643 260 G HA3 0.495 4.454 3.960 -0.001 0.000 0.643 260 G C -0.069 174.886 174.900 0.091 0.000 1.358 260 G CA 0.261 45.348 45.100 -0.022 0.000 0.986 260 G HN 1.841 nan 8.290 nan 0.000 0.620 261 V N -1.405 118.542 119.914 0.055 0.000 2.953 261 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 261 V C 0.989 177.128 176.094 0.076 0.000 1.073 261 V CA 0.675 63.032 62.300 0.095 0.000 1.064 261 V CB 1.552 33.438 31.823 0.105 0.000 1.047 261 V HN 0.662 nan 8.190 nan 0.000 0.478 262 D N 0.286 120.769 120.400 0.139 0.000 2.162 262 D HA 0.081 4.720 4.640 -0.001 0.000 0.203 262 D C -0.199 175.909 176.300 -0.320 0.000 0.967 262 D CA 1.859 55.894 54.000 0.058 0.000 0.840 262 D CB -0.037 40.882 40.800 0.199 0.000 0.972 262 D HN 0.720 nan 8.370 nan 0.000 0.482 263 Y N -0.524 119.820 120.300 0.074 0.000 2.470 263 Y HA 0.331 4.880 4.550 -0.001 0.000 0.341 263 Y C -0.168 175.689 175.900 -0.072 0.000 1.021 263 Y CA -1.139 56.925 58.100 -0.060 0.000 1.025 263 Y CB 2.110 40.548 38.460 -0.038 0.000 1.266 263 Y HN -0.280 nan 8.280 nan 0.000 0.448 264 S N 1.934 117.568 115.700 -0.110 0.000 2.542 264 S HA 0.877 5.346 4.470 -0.001 0.000 0.293 264 S C -1.522 172.951 174.600 -0.212 0.000 1.089 264 S CA -0.728 57.507 58.200 0.058 0.000 0.961 264 S CB 1.335 64.640 63.200 0.174 0.000 1.062 264 S HN 0.338 nan 8.310 nan 0.000 0.483 265 F N 0.787 120.915 119.950 0.298 0.000 2.536 265 F HA 0.488 5.015 4.527 -0.001 0.000 0.322 265 F C 0.220 176.191 175.800 0.285 0.000 1.144 265 F CA -0.726 57.416 58.000 0.236 0.000 0.924 265 F CB 1.825 40.932 39.000 0.178 0.000 1.181 265 F HN 0.615 nan 8.300 nan 0.000 0.438 266 E N 2.738 123.128 120.200 0.315 0.000 2.081 266 E HA 0.323 4.672 4.350 -0.001 0.000 0.281 266 E C -1.010 175.719 176.600 0.215 0.000 0.986 266 E CA -0.111 56.419 56.400 0.216 0.000 0.796 266 E CB 1.132 30.871 29.700 0.064 0.000 1.085 266 E HN 0.792 nan 8.360 nan 0.000 0.398 267 C N 6.318 125.753 119.300 0.224 0.000 2.808 267 C HA 0.444 4.903 4.460 -0.001 0.000 0.261 267 C C 1.373 176.433 174.990 0.116 0.000 1.574 267 C CA -0.395 58.719 59.018 0.161 0.000 1.611 267 C CB -1.259 26.576 27.740 0.158 0.000 2.726 267 C HN 0.711 nan 8.230 nan 0.000 0.528 268 I N -0.082 120.543 120.570 0.092 0.000 4.193 268 I HA 0.349 4.519 4.170 -0.001 0.000 0.287 268 I C 1.755 177.876 176.117 0.006 0.000 1.175 268 I CA 0.830 62.161 61.300 0.052 0.000 1.320 268 I CB 0.034 38.080 38.000 0.077 0.000 1.523 268 I HN 0.378 nan 8.210 nan 0.000 0.450 269 G N 2.753 111.558 108.800 0.009 0.000 2.145 269 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.176 269 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.176 269 G C -0.325 174.563 174.900 -0.019 0.000 1.013 269 G CA -0.239 44.847 45.100 -0.024 0.000 0.689 269 G HN 0.308 nan 8.290 nan 0.000 0.506 270 N N 0.662 119.365 118.700 0.004 0.000 2.476 270 N HA 0.381 5.120 4.740 -0.001 0.000 0.257 270 N C 1.757 177.273 175.510 0.011 0.000 0.970 270 N CA 0.172 53.228 53.050 0.011 0.000 0.938 270 N CB 1.844 40.347 38.487 0.027 0.000 1.144 270 N HN 0.581 nan 8.380 nan 0.000 0.500 271 V N 2.672 122.592 119.914 0.011 0.000 2.568 271 V HA -0.147 3.972 4.120 -0.001 0.000 0.253 271 V C 1.794 177.912 176.094 0.040 0.000 1.072 271 V CA 1.365 63.678 62.300 0.021 0.000 1.084 271 V CB -0.468 31.361 31.823 0.010 0.000 0.676 271 V HN 0.519 nan 8.190 nan 0.000 0.469 272 K N 0.255 120.672 120.400 0.029 0.000 2.155 272 K HA 0.072 4.392 4.320 -0.001 0.000 0.203 272 K C 2.115 178.714 176.600 -0.002 0.000 1.052 272 K CA 1.307 57.610 56.287 0.026 0.000 0.948 272 K CB -0.178 32.340 32.500 0.029 0.000 0.728 272 K HN 0.486 nan 8.250 nan 0.000 0.448 273 V N 1.523 121.426 119.914 -0.019 0.000 2.591 273 V HA -0.175 3.944 4.120 -0.001 0.000 0.249 273 V C 2.144 178.113 176.094 -0.208 0.000 1.053 273 V CA 1.365 63.603 62.300 -0.103 0.000 1.068 273 V CB -0.351 31.447 31.823 -0.042 0.000 0.689 273 V HN 0.314 nan 8.190 nan 0.000 0.462 274 M N -0.394 119.171 119.600 -0.058 0.000 2.117 274 M HA -0.208 4.272 4.480 -0.001 0.000 0.262 274 M C 2.430 178.791 176.300 0.100 0.000 1.065 274 M CA 1.928 57.258 55.300 0.050 0.000 1.114 274 M CB -0.494 32.207 32.600 0.167 0.000 1.361 274 M HN 0.209 nan 8.290 nan 0.000 0.408 275 R N 0.595 121.153 120.500 0.096 0.000 2.066 275 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 275 R C 2.214 178.408 176.300 -0.177 0.000 1.131 275 R CA 1.630 57.731 56.100 0.002 0.000 0.955 275 R CB -0.309 30.021 30.300 0.051 0.000 0.851 275 R HN 0.338 nan 8.270 nan 0.000 0.432 276 A N 0.906 123.627 122.820 -0.166 0.000 1.917 276 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 276 A C 2.394 179.797 177.584 -0.302 0.000 1.182 276 A CA 1.936 53.861 52.037 -0.188 0.000 0.633 276 A CB -0.931 17.985 19.000 -0.140 0.000 0.819 276 A HN 0.577 nan 8.150 nan 0.000 0.448 277 A N -0.658 121.827 122.820 -0.559 0.000 1.902 277 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 277 A C 2.168 179.563 177.584 -0.315 0.000 1.181 277 A CA 1.801 53.477 52.037 -0.601 0.000 0.623 277 A CB -0.613 17.977 19.000 -0.683 0.000 0.818 277 A HN 0.767 nan 8.150 nan 0.000 0.443 278 L N 0.208 121.174 121.223 -0.428 0.000 2.027 278 L HA -0.121 4.219 4.340 -0.001 0.000 0.206 278 L C 2.101 178.711 176.870 -0.433 0.000 1.074 278 L CA 2.469 56.941 54.840 -0.614 0.000 0.745 278 L CB -0.647 40.655 42.059 -1.262 0.000 0.898 278 L HN 0.517 nan 8.230 nan 0.000 0.433 279 E N -0.347 119.643 120.200 -0.350 0.000 2.338 279 E HA -0.091 4.258 4.350 -0.001 0.000 0.197 279 E C 1.916 178.412 176.600 -0.172 0.000 1.007 279 E CA 0.694 56.950 56.400 -0.241 0.000 0.849 279 E CB -0.218 29.374 29.700 -0.180 0.000 0.774 279 E HN 0.643 nan 8.360 nan 0.000 0.506 280 A N 0.628 123.371 122.820 -0.127 0.000 2.208 280 A HA 0.002 4.321 4.320 -0.001 0.000 0.209 280 A C 1.045 178.585 177.584 -0.073 0.000 1.161 280 A CA -0.026 51.986 52.037 -0.041 0.000 0.782 280 A CB -0.122 18.952 19.000 0.123 0.000 0.816 280 A HN 0.210 nan 8.150 nan 0.000 0.477 281 C N 0.830 120.043 119.300 -0.145 0.000 2.601 281 C HA 0.263 4.722 4.460 -0.001 0.000 0.409 281 C C 0.840 175.689 174.990 -0.235 0.000 1.293 281 C CA -0.712 58.203 59.018 -0.172 0.000 2.101 281 C CB -0.475 27.126 27.740 -0.231 0.000 2.639 281 C HN 0.594 nan 8.230 nan 0.000 0.592 282 H N 2.669 121.519 119.070 -0.367 0.000 2.897 282 H HA 0.083 4.639 4.556 -0.001 0.000 0.347 282 H C 0.342 175.248 175.328 -0.703 0.000 1.068 282 H CA 0.705 56.427 56.048 -0.543 0.000 1.426 282 H CB 0.508 29.850 29.762 -0.699 0.000 1.410 282 H HN 0.658 nan 8.280 nan 0.000 0.597 283 K N 1.890 121.840 120.400 -0.749 0.000 2.380 283 K HA 0.072 4.392 4.320 -0.001 0.000 0.267 283 K C 1.032 177.329 176.600 -0.506 0.000 0.990 283 K CA 0.901 56.867 56.287 -0.534 0.000 0.946 283 K CB 0.098 32.316 32.500 -0.471 0.000 0.937 283 K HN 0.869 nan 8.250 nan 0.000 0.491 284 G N 3.252 111.855 108.800 -0.329 0.000 2.458 284 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.237 284 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.237 284 G C 0.251 175.164 174.900 0.022 0.000 1.113 284 G CA 0.840 45.859 45.100 -0.135 0.000 0.655 284 G HN 0.941 nan 8.290 nan 0.000 0.513 285 W N 0.158 121.423 121.300 -0.058 0.000 1.807 285 W HA 0.632 5.291 4.660 -0.000 0.000 0.251 285 W C 0.857 177.255 176.519 -0.202 0.000 0.848 285 W CA -0.167 57.104 57.345 -0.124 0.000 1.157 285 W CB -0.257 29.124 29.460 -0.133 0.000 0.992 285 W HN 0.722 nan 8.180 nan 0.000 0.506 286 G N 2.047 110.622 108.800 -0.374 0.000 2.414 286 G HA2 0.377 4.337 3.960 -0.001 0.000 0.236 286 G HA3 0.377 4.337 3.960 -0.001 0.000 0.236 286 G C -0.893 173.845 174.900 -0.269 0.000 1.293 286 G CA 0.331 45.241 45.100 -0.317 0.000 0.869 286 G HN 0.118 nan 8.290 nan 0.000 0.556 287 V N 1.186 120.899 119.914 -0.334 0.000 2.638 287 V HA 0.572 4.692 4.120 -0.001 0.000 0.306 287 V C 0.003 175.981 176.094 -0.194 0.000 1.052 287 V CA -0.795 61.365 62.300 -0.233 0.000 0.885 287 V CB 1.879 33.587 31.823 -0.192 0.000 0.999 287 V HN 0.820 nan 8.190 nan 0.000 0.424 288 S N 3.609 119.222 115.700 -0.146 0.000 2.478 288 S HA 0.756 5.226 4.470 -0.001 0.000 0.312 288 S C -0.880 173.728 174.600 0.013 0.000 1.094 288 S CA -0.442 57.680 58.200 -0.130 0.000 1.081 288 S CB 1.476 64.550 63.200 -0.210 0.000 1.007 288 S HN 0.494 nan 8.310 nan 0.000 0.475 289 V N 5.565 125.425 119.914 -0.090 0.000 2.384 289 V HA 0.428 4.548 4.120 -0.001 0.000 0.287 289 V C -0.216 175.955 176.094 0.128 0.000 1.020 289 V CA -0.766 61.551 62.300 0.028 0.000 0.850 289 V CB 1.622 33.439 31.823 -0.010 0.000 0.987 289 V HN 0.727 nan 8.190 nan 0.000 0.436 290 V N 6.215 126.209 119.914 0.133 0.000 2.408 290 V HA 0.180 4.299 4.120 -0.001 0.000 0.267 290 V C 0.767 176.920 176.094 0.099 0.000 1.047 290 V CA 0.155 62.518 62.300 0.105 0.000 0.937 290 V CB 1.266 33.091 31.823 0.004 0.000 0.999 290 V HN 0.753 nan 8.190 nan 0.000 0.472 291 V N 3.898 123.891 119.914 0.130 0.000 3.048 291 V HA 0.264 4.383 4.120 -0.001 0.000 0.241 291 V C 1.552 177.696 176.094 0.084 0.000 1.129 291 V CA 0.812 63.187 62.300 0.125 0.000 1.128 291 V CB -0.215 31.710 31.823 0.170 0.000 0.849 291 V HN 0.874 nan 8.190 nan 0.000 0.475 292 G N 0.664 109.508 108.800 0.073 0.000 2.554 292 G HA2 0.334 4.293 3.960 -0.001 0.000 0.238 292 G HA3 0.334 4.293 3.960 -0.001 0.000 0.238 292 G C -0.523 174.374 174.900 -0.005 0.000 1.259 292 G CA 0.069 45.189 45.100 0.034 0.000 0.843 292 G HN 0.139 nan 8.290 nan 0.000 0.582 293 V N 2.045 121.935 119.914 -0.041 0.000 2.311 293 V HA 0.522 4.642 4.120 -0.001 0.000 0.275 293 V C 0.883 176.908 176.094 -0.115 0.000 1.022 293 V CA -0.622 61.632 62.300 -0.077 0.000 0.830 293 V CB 0.439 32.202 31.823 -0.099 0.000 1.012 293 V HN 1.055 nan 8.190 nan 0.000 0.452 294 A N 4.361 127.129 122.820 -0.086 0.000 2.366 294 A HA 0.763 5.083 4.320 -0.001 0.000 0.249 294 A C 0.824 178.358 177.584 -0.084 0.000 1.084 294 A CA 0.212 52.202 52.037 -0.078 0.000 0.794 294 A CB 0.425 19.393 19.000 -0.052 0.000 1.034 294 A HN 1.279 nan 8.150 nan 0.000 0.491 295 A N 1.414 124.202 122.820 -0.052 0.000 2.483 295 A HA 0.479 4.799 4.320 -0.001 0.000 0.238 295 A C 1.028 178.637 177.584 0.043 0.000 1.070 295 A CA 0.382 52.433 52.037 0.023 0.000 0.770 295 A CB -0.465 18.588 19.000 0.089 0.000 1.008 295 A HN 2.101 nan 8.150 nan 0.000 0.497 296 S N 1.577 117.329 115.700 0.087 0.000 2.563 296 S HA 0.413 4.882 4.470 -0.001 0.000 0.284 296 S C 1.348 175.974 174.600 0.042 0.000 1.331 296 S CA 0.462 58.697 58.200 0.058 0.000 1.047 296 S CB 0.499 63.745 63.200 0.076 0.000 0.859 296 S HN 2.617 nan 8.310 nan 0.000 0.514 297 G N 1.859 110.672 108.800 0.022 0.000 2.320 297 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.242 297 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.242 297 G C -0.069 174.836 174.900 0.008 0.000 1.033 297 G CA 0.302 45.412 45.100 0.015 0.000 0.620 297 G HN 0.877 nan 8.290 nan 0.000 0.517 298 E N 1.759 121.964 120.200 0.008 0.000 2.390 298 E HA 0.465 4.814 4.350 -0.001 0.000 0.261 298 E C 0.385 176.974 176.600 -0.018 0.000 1.076 298 E CA 0.604 57.005 56.400 0.001 0.000 0.905 298 E CB 0.429 30.132 29.700 0.005 0.000 0.984 298 E HN 0.770 nan 8.360 nan 0.000 0.427 299 E N 1.517 121.706 120.200 -0.019 0.000 2.367 299 E HA 0.483 4.832 4.350 -0.001 0.000 0.273 299 E C -0.447 176.132 176.600 -0.034 0.000 0.903 299 E CA -0.849 55.527 56.400 -0.041 0.000 0.764 299 E CB 1.220 30.899 29.700 -0.035 0.000 1.252 299 E HN 0.453 nan 8.360 nan 0.000 0.446 300 I N -1.054 119.468 120.570 -0.080 0.000 2.677 300 I HA 0.849 5.018 4.170 -0.001 0.000 0.305 300 I C -0.320 175.824 176.117 0.045 0.000 0.988 300 I CA -0.795 60.484 61.300 -0.036 0.000 1.260 300 I CB 1.500 39.358 38.000 -0.237 0.000 1.410 300 I HN 0.699 nan 8.210 nan 0.000 0.523 301 A N 2.915 125.856 122.820 0.201 0.000 2.609 301 A HA 0.873 5.193 4.320 -0.001 0.000 0.291 301 A C -0.494 177.240 177.584 0.250 0.000 1.096 301 A CA -0.365 51.795 52.037 0.205 0.000 0.684 301 A CB 1.887 20.948 19.000 0.101 0.000 1.282 301 A HN 0.939 nan 8.150 nan 0.000 0.412 302 T N -0.714 113.947 114.554 0.177 0.000 2.676 302 T HA 0.428 4.778 4.350 -0.001 0.000 0.308 302 T C -1.623 173.120 174.700 0.072 0.000 1.740 302 T CA -0.641 61.507 62.100 0.080 0.000 0.982 302 T CB 0.876 69.731 68.868 -0.022 0.000 1.724 302 T HN 0.772 nan 8.240 nan 0.000 0.497 303 R N 2.061 122.589 120.500 0.047 0.000 2.297 303 R HA 0.343 4.682 4.340 -0.001 0.000 0.308 303 R C -1.389 174.964 176.300 0.089 0.000 1.029 303 R CA -1.928 54.214 56.100 0.070 0.000 0.929 303 R CB 1.127 31.470 30.300 0.072 0.000 1.046 303 R HN 0.456 nan 8.270 nan 0.000 0.461 304 P HA -0.248 nan 4.420 nan 0.000 0.219 304 P C 1.033 178.379 177.300 0.077 0.000 1.144 304 P CA 1.226 64.371 63.100 0.075 0.000 0.806 304 P CB 0.032 31.773 31.700 0.069 0.000 0.771 305 F N 1.748 121.675 119.950 -0.038 0.000 2.154 305 F HA -0.218 4.308 4.527 -0.001 0.000 0.301 305 F C 2.252 178.007 175.800 -0.076 0.000 1.087 305 F CA 1.666 59.635 58.000 -0.051 0.000 1.274 305 F CB -0.741 38.227 39.000 -0.053 0.000 1.009 305 F HN -0.166 nan 8.300 nan 0.000 0.485 306 Q N -0.103 119.644 119.800 -0.087 0.000 2.135 306 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 306 Q C 2.253 178.088 176.000 -0.275 0.000 0.981 306 Q CA 1.402 57.067 55.803 -0.229 0.000 0.856 306 Q CB -0.675 27.960 28.738 -0.172 0.000 0.902 306 Q HN 0.404 nan 8.270 nan 0.000 0.425 307 L N -0.786 120.330 121.223 -0.180 0.000 2.127 307 L HA -0.052 4.288 4.340 -0.001 0.000 0.203 307 L C 2.342 179.119 176.870 -0.156 0.000 1.080 307 L CA 0.781 55.537 54.840 -0.139 0.000 0.768 307 L CB -0.870 41.162 42.059 -0.045 0.000 0.924 307 L HN -0.057 nan 8.230 nan 0.000 0.444 308 V N -0.326 119.488 119.914 -0.166 0.000 2.490 308 V HA -0.232 3.887 4.120 -0.001 0.000 0.250 308 V C 1.961 177.908 176.094 -0.245 0.000 1.061 308 V CA 1.963 64.169 62.300 -0.158 0.000 1.064 308 V CB -1.228 30.533 31.823 -0.102 0.000 0.670 308 V HN 0.645 nan 8.190 nan 0.000 0.461 309 T N -2.322 111.978 114.554 -0.423 0.000 3.324 309 T HA 0.459 4.809 4.350 -0.001 0.000 0.250 309 T C 1.310 175.830 174.700 -0.300 0.000 1.059 309 T CA 0.633 62.469 62.100 -0.439 0.000 0.951 309 T CB 0.324 68.742 68.868 -0.750 0.000 1.030 309 T HN 0.797 nan 8.240 nan 0.000 0.576 310 G N 1.539 110.208 108.800 -0.218 0.000 2.213 310 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.226 310 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.226 310 G C 0.192 174.993 174.900 -0.164 0.000 0.992 310 G CA -0.628 44.377 45.100 -0.157 0.000 0.632 310 G HN 0.643 nan 8.290 nan 0.000 0.511 311 R N 0.686 121.057 120.500 -0.215 0.000 2.490 311 R HA 0.594 4.933 4.340 -0.001 0.000 0.278 311 R C -0.467 175.743 176.300 -0.150 0.000 1.069 311 R CA 0.280 56.249 56.100 -0.218 0.000 1.080 311 R CB 0.849 30.975 30.300 -0.290 0.000 1.030 311 R HN 0.145 nan 8.270 nan 0.000 0.491 312 T N 1.333 115.812 114.554 -0.124 0.000 2.841 312 T HA 0.238 4.588 4.350 -0.001 0.000 0.283 312 T C -1.316 173.398 174.700 0.024 0.000 1.000 312 T CA -0.557 61.525 62.100 -0.030 0.000 0.977 312 T CB 1.077 69.941 68.868 -0.008 0.000 0.979 312 T HN 0.360 nan 8.240 nan 0.000 0.446 313 W N 4.113 125.375 121.300 -0.063 0.000 2.376 313 W HA 0.556 5.216 4.660 -0.001 0.000 0.312 313 W C -0.270 176.223 176.519 -0.043 0.000 1.060 313 W CA -1.340 55.969 57.345 -0.060 0.000 1.221 313 W CB 0.785 30.212 29.460 -0.055 0.000 1.281 313 W HN 0.601 nan 8.180 nan 0.000 0.456 314 K N 2.132 122.700 120.400 0.280 0.000 2.378 314 K HA 0.885 5.205 4.320 -0.001 0.000 0.244 314 K C -0.061 176.578 176.600 0.064 0.000 1.039 314 K CA -0.997 55.357 56.287 0.111 0.000 0.863 314 K CB 2.282 34.832 32.500 0.082 0.000 1.326 314 K HN 0.483 nan 8.250 nan 0.000 0.460 315 G N -0.558 108.256 108.800 0.024 0.000 2.725 315 G HA2 0.593 4.553 3.960 -0.001 0.000 0.288 315 G HA3 0.593 4.553 3.960 -0.001 0.000 0.288 315 G C -1.487 173.432 174.900 0.032 0.000 1.399 315 G CA -0.285 44.823 45.100 0.014 0.000 0.859 315 G HN 0.357 nan 8.290 nan 0.000 0.479 316 T N -1.591 112.990 114.554 0.045 0.000 2.889 316 T HA 0.680 5.030 4.350 -0.001 0.000 0.315 316 T C -1.393 173.350 174.700 0.072 0.000 1.291 316 T CA 0.227 62.355 62.100 0.046 0.000 1.028 316 T CB 1.513 70.409 68.868 0.047 0.000 1.235 316 T HN 1.613 nan 8.240 nan 0.000 0.491 317 A N 2.699 125.571 122.820 0.087 0.000 2.335 317 A HA 0.727 5.046 4.320 -0.001 0.000 0.304 317 A C -0.121 177.612 177.584 0.250 0.000 1.118 317 A CA -0.522 51.608 52.037 0.156 0.000 0.757 317 A CB 0.136 19.208 19.000 0.120 0.000 1.188 317 A HN 1.566 nan 8.150 nan 0.000 0.460 318 F N 2.313 122.337 119.950 0.123 0.000 3.067 318 F HA -0.247 4.279 4.527 -0.001 0.000 0.279 318 F C 1.440 177.328 175.800 0.147 0.000 0.945 318 F CA 1.634 59.720 58.000 0.142 0.000 0.948 318 F CB -0.838 38.169 39.000 0.011 0.000 0.898 318 F HN 2.098 nan 8.300 nan 0.000 0.746 319 G N 0.173 108.968 108.800 -0.009 0.000 2.212 319 G HA2 0.041 4.001 3.960 -0.001 0.000 0.267 319 G HA3 0.041 4.001 3.960 -0.001 0.000 0.267 319 G C 2.171 176.773 174.900 -0.496 0.000 1.002 319 G CA 1.228 46.184 45.100 -0.239 0.000 0.729 319 G HN 2.383 nan 8.290 nan 0.000 0.517 320 G N -2.405 106.266 108.800 -0.215 0.000 2.155 320 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.257 320 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.257 320 G C 0.396 175.172 174.900 -0.206 0.000 0.983 320 G CA 0.575 45.551 45.100 -0.206 0.000 0.676 320 G HN 1.164 nan 8.290 nan 0.000 0.528 321 W N 0.983 122.271 121.300 -0.021 0.000 2.311 321 W HA 0.545 5.205 4.660 -0.001 0.000 0.310 321 W C 0.949 177.534 176.519 0.110 0.000 1.274 321 W CA -0.847 56.497 57.345 -0.002 0.000 1.215 321 W CB 0.699 30.091 29.460 -0.114 0.000 1.227 321 W HN -0.052 nan 8.180 nan 0.000 0.523 322 K N 3.077 123.663 120.400 0.311 0.000 2.294 322 K HA -0.025 4.295 4.320 -0.001 0.000 0.288 322 K C 1.400 178.139 176.600 0.232 0.000 1.072 322 K CA 0.149 56.560 56.287 0.208 0.000 0.960 322 K CB 0.593 33.180 32.500 0.144 0.000 1.043 322 K HN 0.658 nan 8.250 nan 0.000 0.455 323 S N 2.041 117.880 115.700 0.231 0.000 2.389 323 S HA -0.244 4.225 4.470 -0.001 0.000 0.229 323 S C 1.874 176.536 174.600 0.103 0.000 1.048 323 S CA 1.847 60.169 58.200 0.203 0.000 1.117 323 S CB -0.551 62.645 63.200 -0.008 0.000 1.020 323 S HN 0.365 nan 8.310 nan 0.000 0.430 324 V N 3.863 123.807 119.914 0.049 0.000 2.332 324 V HA -0.212 3.908 4.120 -0.001 0.000 0.248 324 V C 2.912 179.028 176.094 0.036 0.000 1.055 324 V CA 2.318 64.636 62.300 0.029 0.000 1.038 324 V CB -1.135 30.698 31.823 0.016 0.000 0.651 324 V HN 0.873 nan 8.190 nan 0.000 0.450 325 E N -0.633 119.600 120.200 0.055 0.000 2.318 325 E HA -0.071 4.278 4.350 -0.001 0.000 0.193 325 E C 2.038 178.664 176.600 0.044 0.000 0.998 325 E CA 1.161 57.590 56.400 0.049 0.000 0.859 325 E CB -0.075 29.662 29.700 0.060 0.000 0.812 325 E HN 0.504 nan 8.360 nan 0.000 0.492 326 S N 0.611 116.348 115.700 0.062 0.000 2.387 326 S HA -0.010 4.460 4.470 -0.001 0.000 0.221 326 S C 2.063 176.564 174.600 -0.164 0.000 1.041 326 S CA 0.564 58.754 58.200 -0.017 0.000 0.959 326 S CB 0.041 63.308 63.200 0.111 0.000 0.843 326 S HN 0.106 nan 8.310 nan 0.000 0.488 327 V N 3.279 123.140 119.914 -0.089 0.000 2.317 327 V HA -0.161 3.959 4.120 -0.001 0.000 0.251 327 V C -0.832 175.204 176.094 -0.097 0.000 1.065 327 V CA 1.989 64.226 62.300 -0.105 0.000 1.049 327 V CB -1.729 30.100 31.823 0.010 0.000 0.651 327 V HN 0.335 nan 8.190 nan 0.000 0.450 328 P HA -0.136 nan 4.420 nan 0.000 0.217 328 P C 1.592 178.862 177.300 -0.050 0.000 1.150 328 P CA 1.388 64.466 63.100 -0.036 0.000 0.832 328 P CB -0.067 31.624 31.700 -0.016 0.000 0.787 329 K N -0.706 119.650 120.400 -0.073 0.000 2.148 329 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 329 K C 2.030 178.565 176.600 -0.109 0.000 1.050 329 K CA 1.012 57.255 56.287 -0.073 0.000 0.942 329 K CB -0.613 31.849 32.500 -0.065 0.000 0.724 329 K HN 0.187 nan 8.250 nan 0.000 0.446 330 L N 0.562 121.664 121.223 -0.201 0.000 2.093 330 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 330 L C 2.313 179.131 176.870 -0.087 0.000 1.085 330 L CA 0.703 55.411 54.840 -0.220 0.000 0.755 330 L CB -0.375 41.453 42.059 -0.384 0.000 0.904 330 L HN -0.034 nan 8.230 nan 0.000 0.435 331 V N -0.908 118.974 119.914 -0.053 0.000 2.343 331 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 331 V C 2.557 178.694 176.094 0.072 0.000 1.051 331 V CA 2.000 64.325 62.300 0.041 0.000 1.036 331 V CB -0.237 31.602 31.823 0.027 0.000 0.654 331 V HN 0.378 nan 8.190 nan 0.000 0.451 332 S N -0.648 115.059 115.700 0.011 0.000 2.383 332 S HA -0.178 4.292 4.470 -0.001 0.000 0.227 332 S C 1.878 176.475 174.600 -0.005 0.000 1.026 332 S CA 1.264 59.462 58.200 -0.002 0.000 0.981 332 S CB -0.239 62.954 63.200 -0.011 0.000 0.818 332 S HN 0.685 nan 8.310 nan 0.000 0.472 333 E N -0.090 120.112 120.200 0.003 0.000 2.150 333 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 333 E C 1.810 178.426 176.600 0.026 0.000 0.985 333 E CA 1.047 57.451 56.400 0.007 0.000 0.814 333 E CB -0.208 29.495 29.700 0.006 0.000 0.752 333 E HN 0.685 nan 8.360 nan 0.000 0.466 334 Y N 1.270 121.525 120.300 -0.075 0.000 2.220 334 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 334 Y C 2.100 177.975 175.900 -0.040 0.000 1.129 334 Y CA 1.252 59.315 58.100 -0.061 0.000 1.161 334 Y CB -0.114 38.309 38.460 -0.062 0.000 0.997 334 Y HN -0.098 nan 8.280 nan 0.000 0.522 335 M N -0.340 119.087 119.600 -0.289 0.000 2.159 335 M HA -0.157 4.323 4.480 -0.001 0.000 0.263 335 M C 1.971 178.123 176.300 -0.247 0.000 1.063 335 M CA 1.484 56.565 55.300 -0.365 0.000 1.110 335 M CB -1.289 31.215 32.600 -0.160 0.000 1.374 335 M HN 0.236 nan 8.290 nan 0.000 0.411 336 S N -0.284 115.330 115.700 -0.144 0.000 2.593 336 S HA 0.045 4.515 4.470 -0.001 0.000 0.217 336 S C 0.573 175.119 174.600 -0.090 0.000 0.966 336 S CA 0.090 58.234 58.200 -0.094 0.000 0.914 336 S CB 0.093 63.264 63.200 -0.049 0.000 0.776 336 S HN 0.327 nan 8.310 nan 0.000 0.523 337 K N 0.272 120.600 120.400 -0.121 0.000 3.391 337 K HA -0.178 4.141 4.320 -0.001 0.000 0.307 337 K C 0.906 177.489 176.600 -0.029 0.000 1.304 337 K CA 0.959 57.197 56.287 -0.080 0.000 0.904 337 K CB -1.635 30.818 32.500 -0.078 0.000 1.293 337 K HN 0.364 nan 8.250 nan 0.000 0.470 338 K N 0.836 121.226 120.400 -0.017 0.000 2.167 338 K HA 0.036 4.356 4.320 -0.001 0.000 0.203 338 K C 0.919 177.512 176.600 -0.011 0.000 1.052 338 K CA 1.335 57.622 56.287 -0.000 0.000 0.956 338 K CB 0.191 32.702 32.500 0.018 0.000 0.735 338 K HN 0.504 nan 8.250 nan 0.000 0.451 339 I N -1.990 118.570 120.570 -0.016 0.000 3.002 339 I HA 0.419 4.589 4.170 -0.001 0.000 0.310 339 I C -1.407 174.771 176.117 0.101 0.000 1.087 339 I CA -1.345 59.925 61.300 -0.050 0.000 1.017 339 I CB 2.133 39.970 38.000 -0.272 0.000 1.226 339 I HN -0.251 nan 8.210 nan 0.000 0.443 340 K N 1.996 122.491 120.400 0.158 0.000 2.156 340 K HA 0.672 4.991 4.320 -0.001 0.000 0.250 340 K C -0.357 176.445 176.600 0.337 0.000 0.955 340 K CA -0.792 55.653 56.287 0.263 0.000 0.855 340 K CB 2.763 35.374 32.500 0.185 0.000 1.101 340 K HN 0.523 nan 8.250 nan 0.000 0.434 341 V N 0.269 120.324 119.914 0.235 0.000 3.261 341 V HA -0.100 4.020 4.120 -0.001 0.000 0.212 341 V C 0.700 176.917 176.094 0.205 0.000 1.381 341 V CA 0.379 62.719 62.300 0.065 0.000 1.322 341 V CB 0.131 31.548 31.823 -0.676 0.000 1.188 341 V HN 0.673 nan 8.190 nan 0.000 0.520 342 D N 1.325 121.801 120.400 0.125 0.000 2.149 342 D HA -0.210 4.429 4.640 -0.001 0.000 0.194 342 D C 1.835 178.211 176.300 0.127 0.000 1.001 342 D CA 1.596 55.669 54.000 0.123 0.000 0.849 342 D CB -0.113 40.769 40.800 0.136 0.000 0.939 342 D HN 0.462 nan 8.370 nan 0.000 0.449 343 E N -0.853 119.415 120.200 0.114 0.000 2.401 343 E HA -0.078 4.272 4.350 -0.001 0.000 0.199 343 E C 1.382 178.015 176.600 0.054 0.000 1.023 343 E CA 0.330 56.737 56.400 0.011 0.000 0.859 343 E CB -0.260 29.315 29.700 -0.207 0.000 0.780 343 E HN 0.391 nan 8.360 nan 0.000 0.523 344 F N -0.434 119.612 119.950 0.161 0.000 2.569 344 F HA 0.035 4.562 4.527 -0.001 0.000 0.295 344 F C 0.634 176.469 175.800 0.059 0.000 1.115 344 F CA 0.017 58.085 58.000 0.113 0.000 1.450 344 F CB 0.362 39.392 39.000 0.049 0.000 1.107 344 F HN -0.250 nan 8.300 nan 0.000 0.563 345 V N 1.616 121.649 119.914 0.197 0.000 2.415 345 V HA 0.021 4.140 4.120 -0.001 0.000 0.267 345 V C 1.041 177.168 176.094 0.054 0.000 1.042 345 V CA 0.662 63.027 62.300 0.109 0.000 1.000 345 V CB 0.290 32.152 31.823 0.066 0.000 1.015 345 V HN 0.389 nan 8.190 nan 0.000 0.478 346 T N 0.982 115.572 114.554 0.060 0.000 3.023 346 T HA 0.220 4.570 4.350 -0.001 0.000 0.249 346 T C 0.415 174.933 174.700 -0.303 0.000 1.050 346 T CA 0.299 62.371 62.100 -0.046 0.000 1.088 346 T CB 0.131 69.057 68.868 0.097 0.000 0.946 346 T HN 0.669 nan 8.240 nan 0.000 0.480 347 H N 0.020 119.098 119.070 0.013 0.000 3.016 347 H HA 0.625 5.181 4.556 -0.001 0.000 0.362 347 H C -1.079 174.245 175.328 -0.006 0.000 1.233 347 H CA -0.882 55.166 56.048 0.001 0.000 1.124 347 H CB 1.352 31.108 29.762 -0.009 0.000 1.850 347 H HN -0.010 nan 8.280 nan 0.000 0.549 348 N N 1.540 120.309 118.700 0.115 0.000 2.249 348 N HA 0.522 5.262 4.740 -0.001 0.000 0.296 348 N C -1.346 174.193 175.510 0.048 0.000 1.051 348 N CA -0.444 52.639 53.050 0.055 0.000 0.815 348 N CB 2.562 41.066 38.487 0.028 0.000 1.487 348 N HN 0.321 nan 8.380 nan 0.000 0.475 349 L N 0.341 121.578 121.223 0.024 0.000 2.409 349 L HA 0.507 4.846 4.340 -0.001 0.000 0.255 349 L C 0.357 177.240 176.870 0.021 0.000 1.027 349 L CA -0.901 53.949 54.840 0.017 0.000 0.834 349 L CB 2.031 44.088 42.059 -0.004 0.000 1.426 349 L HN 0.521 nan 8.230 nan 0.000 0.411 350 S N -0.743 114.976 115.700 0.033 0.000 2.672 350 S HA 0.338 4.808 4.470 -0.001 0.000 0.276 350 S C 0.771 175.442 174.600 0.119 0.000 1.207 350 S CA -0.540 57.696 58.200 0.061 0.000 1.002 350 S CB 1.203 64.434 63.200 0.053 0.000 0.998 350 S HN 0.509 nan 8.310 nan 0.000 0.542 351 F N 1.668 121.582 119.950 -0.060 0.000 2.091 351 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 351 F C 1.729 177.483 175.800 -0.077 0.000 1.103 351 F CA 1.793 59.744 58.000 -0.081 0.000 1.228 351 F CB -1.044 37.919 39.000 -0.062 0.000 0.984 351 F HN 0.641 nan 8.300 nan 0.000 0.477 352 D N 0.041 120.428 120.400 -0.023 0.000 2.221 352 D HA -0.147 4.493 4.640 -0.001 0.000 0.204 352 D C 1.749 177.993 176.300 -0.093 0.000 0.982 352 D CA 1.132 55.056 54.000 -0.126 0.000 0.857 352 D CB -0.227 40.539 40.800 -0.056 0.000 0.934 352 D HN 0.391 nan 8.370 nan 0.000 0.475 353 E N 0.135 120.313 120.200 -0.038 0.000 2.444 353 E HA 0.067 4.417 4.350 -0.001 0.000 0.191 353 E C 1.936 178.513 176.600 -0.038 0.000 1.041 353 E CA -0.323 56.060 56.400 -0.029 0.000 0.883 353 E CB 0.228 29.923 29.700 -0.008 0.000 1.024 353 E HN 0.398 nan 8.360 nan 0.000 0.470 354 I N 1.412 121.945 120.570 -0.061 0.000 2.236 354 I HA -0.379 3.791 4.170 -0.001 0.000 0.249 354 I C 1.568 177.658 176.117 -0.045 0.000 1.102 354 I CA 1.245 62.483 61.300 -0.102 0.000 1.365 354 I CB 0.120 38.016 38.000 -0.173 0.000 1.051 354 I HN 0.040 nan 8.210 nan 0.000 0.420 355 N N 1.127 119.861 118.700 0.055 0.000 2.272 355 N HA -0.211 4.529 4.740 -0.001 0.000 0.185 355 N C 1.628 177.248 175.510 0.182 0.000 1.014 355 N CA 1.150 54.339 53.050 0.232 0.000 0.870 355 N CB -0.237 38.318 38.487 0.112 0.000 0.975 355 N HN 0.511 nan 8.380 nan 0.000 0.433 356 K N 0.802 121.226 120.400 0.041 0.000 2.209 356 K HA -0.020 4.300 4.320 -0.001 0.000 0.204 356 K C 1.966 178.526 176.600 -0.068 0.000 1.048 356 K CA 0.867 57.154 56.287 0.000 0.000 0.940 356 K CB -0.040 32.444 32.500 -0.027 0.000 0.729 356 K HN 0.128 nan 8.250 nan 0.000 0.451 357 A N 0.782 123.502 122.820 -0.166 0.000 1.933 357 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 357 A C 1.804 179.158 177.584 -0.383 0.000 1.175 357 A CA 1.289 53.130 52.037 -0.325 0.000 0.628 357 A CB -0.589 18.125 19.000 -0.476 0.000 0.814 357 A HN 0.187 nan 8.150 nan 0.000 0.444 358 F N -0.294 119.615 119.950 -0.069 0.000 2.206 358 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 358 F C 2.313 178.107 175.800 -0.009 0.000 1.090 358 F CA 1.406 59.364 58.000 -0.069 0.000 1.323 358 F CB -0.361 38.664 39.000 0.042 0.000 1.028 358 F HN 0.367 nan 8.300 nan 0.000 0.492 359 E N 0.711 121.029 120.200 0.195 0.000 2.106 359 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 359 E C 2.223 178.851 176.600 0.048 0.000 0.984 359 E CA 0.840 57.342 56.400 0.169 0.000 0.806 359 E CB -0.160 29.598 29.700 0.096 0.000 0.750 359 E HN 0.382 nan 8.360 nan 0.000 0.458 360 L N 0.198 121.376 121.223 -0.075 0.000 2.042 360 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 360 L C 2.718 179.520 176.870 -0.114 0.000 1.076 360 L CA 1.197 55.940 54.840 -0.162 0.000 0.749 360 L CB -0.383 41.480 42.059 -0.327 0.000 0.893 360 L HN 0.308 nan 8.230 nan 0.000 0.432 361 M N -1.292 118.201 119.600 -0.179 0.000 2.132 361 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 361 M C 2.018 178.263 176.300 -0.091 0.000 1.065 361 M CA 1.375 56.541 55.300 -0.224 0.000 1.122 361 M CB -0.550 31.688 32.600 -0.602 0.000 1.365 361 M HN 0.281 nan 8.290 nan 0.000 0.411 362 H N -0.630 118.485 119.070 0.075 0.000 2.563 362 H HA 0.060 4.616 4.556 -0.000 0.000 0.272 362 H C 2.158 177.534 175.328 0.080 0.000 1.005 362 H CA 1.352 57.468 56.048 0.112 0.000 1.171 362 H CB -0.127 29.692 29.762 0.096 0.000 1.351 362 H HN 0.424 nan 8.280 nan 0.000 0.602 363 S N -1.304 114.475 115.700 0.132 0.000 2.511 363 S HA 0.178 4.647 4.470 -0.001 0.000 0.214 363 S C 1.852 176.499 174.600 0.078 0.000 0.997 363 S CA 0.533 58.786 58.200 0.089 0.000 0.908 363 S CB 0.466 63.694 63.200 0.046 0.000 0.803 363 S HN 0.457 nan 8.310 nan 0.000 0.504 364 G N 1.853 110.707 108.800 0.090 0.000 2.184 364 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.264 364 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.264 364 G C 0.590 175.534 174.900 0.074 0.000 0.975 364 G CA 0.557 45.710 45.100 0.089 0.000 0.642 364 G HN 0.578 nan 8.290 nan 0.000 0.536 365 K N 0.427 120.867 120.400 0.066 0.000 2.417 365 K HA 0.300 4.620 4.320 -0.001 0.000 0.196 365 K C 1.058 177.745 176.600 0.145 0.000 1.023 365 K CA 0.723 57.066 56.287 0.094 0.000 1.122 365 K CB 0.402 32.962 32.500 0.100 0.000 0.850 365 K HN 0.582 nan 8.250 nan 0.000 0.521 366 S N -0.767 114.998 115.700 0.107 0.000 2.566 366 S HA 0.435 4.905 4.470 -0.001 0.000 0.298 366 S C 0.487 175.168 174.600 0.134 0.000 1.083 366 S CA -0.944 57.340 58.200 0.140 0.000 0.978 366 S CB 1.408 64.641 63.200 0.056 0.000 1.073 366 S HN -0.156 nan 8.310 nan 0.000 0.491 367 I N 0.292 120.952 120.570 0.149 0.000 3.196 367 I HA 0.421 4.590 4.170 -0.001 0.000 0.248 367 I C 0.413 176.621 176.117 0.152 0.000 1.105 367 I CA 0.603 61.994 61.300 0.152 0.000 1.482 367 I CB -0.343 37.751 38.000 0.157 0.000 1.400 367 I HN 0.586 nan 8.210 nan 0.000 0.464 368 R N 0.655 121.244 120.500 0.149 0.000 2.510 368 R HA 0.401 4.740 4.340 -0.001 0.000 0.287 368 R C -1.079 175.274 176.300 0.089 0.000 1.084 368 R CA -0.275 55.887 56.100 0.103 0.000 0.934 368 R CB 1.795 32.158 30.300 0.106 0.000 1.201 368 R HN 0.022 nan 8.270 nan 0.000 0.431 369 T N 2.105 116.682 114.554 0.038 0.000 2.837 369 T HA 0.405 4.754 4.350 -0.001 0.000 0.285 369 T C 0.021 174.722 174.700 0.002 0.000 0.984 369 T CA -0.348 61.775 62.100 0.037 0.000 1.049 369 T CB 1.513 70.357 68.868 -0.041 0.000 0.947 369 T HN 0.101 nan 8.240 nan 0.000 0.472 370 V N 4.290 124.213 119.914 0.015 0.000 2.370 370 V HA 0.388 4.508 4.120 -0.001 0.000 0.283 370 V C -0.086 175.998 176.094 -0.017 0.000 1.023 370 V CA -0.722 61.574 62.300 -0.007 0.000 0.857 370 V CB 1.635 33.458 31.823 -0.001 0.000 0.985 370 V HN 0.665 nan 8.190 nan 0.000 0.443 371 V N 5.221 125.112 119.914 -0.038 0.000 2.370 371 V HA 0.354 4.474 4.120 -0.001 0.000 0.283 371 V C 0.254 176.312 176.094 -0.061 0.000 1.023 371 V CA -0.850 61.425 62.300 -0.042 0.000 0.857 371 V CB 1.532 33.318 31.823 -0.061 0.000 0.985 371 V HN 0.861 nan 8.190 nan 0.000 0.443 372 K N 5.562 125.937 120.400 -0.041 0.000 2.339 372 K HA 0.336 4.656 4.320 -0.001 0.000 0.286 372 K C -0.109 176.424 176.600 -0.111 0.000 1.050 372 K CA -0.576 55.673 56.287 -0.063 0.000 0.956 372 K CB 0.492 32.977 32.500 -0.025 0.000 0.990 372 K HN 0.454 nan 8.250 nan 0.000 0.475 373 I N 0.000 120.444 120.570 -0.210 0.000 2.984 373 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 373 I CA 0.000 61.090 61.300 -0.351 0.000 1.566 373 I CB 0.000 37.743 38.000 -0.427 0.000 1.214 373 I HN 0.000 nan 8.210 nan 0.000 0.494