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 2xh0_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGANT GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALKEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK IKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD RLTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKLLH 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 0.000 177.616 177.584 0.053 0.000 1.274 1 A CA 0.000 52.048 52.037 0.019 0.000 0.836 1 A CB 0.000 19.004 19.000 0.007 0.000 0.831 2 V N 3.407 123.366 119.914 0.075 0.000 2.427 2 V HA 0.354 4.474 4.120 -0.000 0.000 0.268 2 V C 1.552 177.712 176.094 0.110 0.000 1.046 2 V CA 0.943 63.323 62.300 0.134 0.000 0.970 2 V CB 0.966 32.950 31.823 0.268 0.000 1.001 2 V HN 0.746 nan 8.190 nan 0.000 0.476 3 S N 3.536 119.293 115.700 0.095 0.000 2.497 3 S HA 0.264 4.733 4.470 -0.000 0.000 0.218 3 S C 0.482 175.129 174.600 0.078 0.000 1.023 3 S CA -0.116 58.128 58.200 0.072 0.000 0.913 3 S CB 0.351 63.582 63.200 0.051 0.000 0.800 3 S HN 0.619 nan 8.310 nan 0.000 0.505 4 K N 0.478 120.933 120.400 0.092 0.000 2.542 4 K HA 0.596 4.915 4.320 -0.000 0.000 0.259 4 K C -2.245 174.412 176.600 0.095 0.000 0.932 4 K CA -0.556 55.784 56.287 0.088 0.000 0.820 4 K CB 2.576 35.111 32.500 0.058 0.000 1.345 4 K HN 0.059 nan 8.250 nan 0.000 0.432 5 V N 4.185 124.158 119.914 0.100 0.000 2.525 5 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 5 V C -1.509 174.666 176.094 0.135 0.000 1.034 5 V CA -0.780 61.553 62.300 0.054 0.000 0.863 5 V CB 1.424 33.224 31.823 -0.039 0.000 0.999 5 V HN 0.744 nan 8.190 nan 0.000 0.423 6 Y N 3.615 123.898 120.300 -0.028 0.000 2.470 6 Y HA 0.807 5.357 4.550 -0.001 0.000 0.341 6 Y C -0.311 175.572 175.900 -0.028 0.000 1.021 6 Y CA -0.563 57.526 58.100 -0.017 0.000 1.025 6 Y CB 2.008 40.465 38.460 -0.006 0.000 1.266 6 Y HN 0.767 nan 8.280 nan 0.000 0.448 7 A N 6.152 128.548 122.820 -0.708 0.000 2.374 7 A HA 0.966 5.286 4.320 -0.000 0.000 0.317 7 A C -1.273 175.881 177.584 -0.718 0.000 1.094 7 A CA -0.958 50.761 52.037 -0.530 0.000 0.765 7 A CB 1.481 20.295 19.000 -0.311 0.000 1.268 7 A HN 0.873 nan 8.150 nan 0.000 0.438 8 R N 0.117 120.398 120.500 -0.366 0.000 2.774 8 R HA 0.714 5.054 4.340 -0.000 0.000 0.272 8 R C -1.158 175.034 176.300 -0.180 0.000 1.000 8 R CA -0.587 55.374 56.100 -0.231 0.000 0.906 8 R CB 1.370 31.628 30.300 -0.071 0.000 1.227 8 R HN 0.431 nan 8.270 nan 0.000 0.468 9 S N 0.986 116.584 115.700 -0.169 0.000 2.505 9 S HA 0.376 4.846 4.470 -0.000 0.000 0.276 9 S C 0.391 174.872 174.600 -0.197 0.000 1.274 9 S CA -0.617 57.429 58.200 -0.257 0.000 1.053 9 S CB 0.993 63.978 63.200 -0.358 0.000 0.919 9 S HN 0.485 nan 8.310 nan 0.000 0.490 10 V N 1.139 120.909 119.914 -0.240 0.000 3.145 10 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 10 V C -1.565 174.345 176.094 -0.306 0.000 1.238 10 V CA -1.204 61.021 62.300 -0.124 0.000 1.066 10 V CB 0.760 32.578 31.823 -0.008 0.000 1.144 10 V HN 0.716 nan 8.190 nan 0.000 0.465 11 Y N 1.064 121.345 120.300 -0.032 0.000 2.360 11 Y HA 0.592 5.142 4.550 0.000 0.000 0.337 11 Y C 0.281 176.164 175.900 -0.028 0.000 1.039 11 Y CA -0.482 57.599 58.100 -0.032 0.000 1.109 11 Y CB 1.347 39.812 38.460 0.010 0.000 1.201 11 Y HN 0.959 nan 8.280 nan 0.000 0.458 12 D N -0.552 119.886 120.400 0.062 0.000 2.433 12 D HA 0.040 4.680 4.640 -0.000 0.000 0.255 12 D C 0.999 177.342 176.300 0.073 0.000 1.226 12 D CA -0.372 53.651 54.000 0.039 0.000 1.015 12 D CB 0.661 41.451 40.800 -0.016 0.000 1.091 12 D HN 0.430 nan 8.370 nan 0.000 0.527 13 S N -1.191 114.536 115.700 0.045 0.000 2.547 13 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 13 S C 1.349 175.972 174.600 0.039 0.000 0.980 13 S CA 0.231 58.458 58.200 0.045 0.000 0.941 13 S CB -0.369 62.853 63.200 0.037 0.000 0.763 13 S HN 0.500 nan 8.310 nan 0.000 0.532 14 R N 0.258 120.780 120.500 0.036 0.000 2.397 14 R HA 0.274 4.614 4.340 -0.000 0.000 0.241 14 R C 1.230 177.569 176.300 0.064 0.000 0.914 14 R CA 0.381 56.497 56.100 0.028 0.000 1.071 14 R CB 0.180 30.479 30.300 -0.001 0.000 1.116 14 R HN 0.548 nan 8.270 nan 0.000 0.524 15 G N 1.543 110.412 108.800 0.115 0.000 2.143 15 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 15 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 15 G C -0.372 174.712 174.900 0.307 0.000 0.991 15 G CA -0.135 45.095 45.100 0.217 0.000 0.689 15 G HN 0.262 nan 8.290 nan 0.000 0.522 16 N N 0.936 119.721 118.700 0.142 0.000 2.443 16 N HA 0.507 5.247 4.740 -0.000 0.000 0.295 16 N C -2.729 172.650 175.510 -0.220 0.000 1.076 16 N CA -1.512 51.544 53.050 0.009 0.000 0.919 16 N CB 1.632 40.099 38.487 -0.034 0.000 1.176 16 N HN -0.001 nan 8.380 nan 0.000 0.487 17 P HA 0.076 nan 4.420 nan 0.000 0.267 17 P C -0.126 176.885 177.300 -0.481 0.000 1.200 17 P CA 0.288 62.903 63.100 -0.808 0.000 0.772 17 P CB 0.661 31.634 31.700 -1.211 0.000 0.855 18 T N 1.003 115.308 114.554 -0.415 0.000 2.787 18 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 18 T C -1.183 173.365 174.700 -0.253 0.000 1.221 18 T CA -0.619 61.315 62.100 -0.277 0.000 1.006 18 T CB 0.826 69.587 68.868 -0.179 0.000 1.328 18 T HN -0.047 nan 8.240 nan 0.000 0.509 19 V N 2.869 122.667 119.914 -0.194 0.000 2.461 19 V HA 0.469 4.589 4.120 -0.000 0.000 0.275 19 V C 0.261 176.274 176.094 -0.134 0.000 1.047 19 V CA -0.303 61.893 62.300 -0.173 0.000 0.955 19 V CB 1.046 32.776 31.823 -0.154 0.000 0.988 19 V HN 0.828 nan 8.190 nan 0.000 0.471 20 E N 4.363 124.487 120.200 -0.127 0.000 2.187 20 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 20 E C -1.715 174.831 176.600 -0.090 0.000 0.896 20 E CA -0.557 55.793 56.400 -0.084 0.000 0.766 20 E CB 2.124 31.796 29.700 -0.047 0.000 1.142 20 E HN 0.435 nan 8.360 nan 0.000 0.408 21 V N 4.040 123.915 119.914 -0.066 0.000 2.555 21 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 21 V C -0.571 175.524 176.094 0.000 0.000 1.038 21 V CA -0.658 61.605 62.300 -0.061 0.000 0.887 21 V CB 1.790 33.558 31.823 -0.091 0.000 0.991 21 V HN 0.761 nan 8.190 nan 0.000 0.434 22 E N 3.688 123.916 120.200 0.046 0.000 2.199 22 E HA 0.533 4.883 4.350 -0.000 0.000 0.265 22 E C -1.576 175.075 176.600 0.086 0.000 0.882 22 E CA -0.800 55.652 56.400 0.086 0.000 0.759 22 E CB 2.380 32.154 29.700 0.124 0.000 1.148 22 E HN 0.343 nan 8.360 nan 0.000 0.412 23 L N 2.405 123.690 121.223 0.104 0.000 2.296 23 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 23 L C -0.180 176.803 176.870 0.189 0.000 1.023 23 L CA -0.107 54.802 54.840 0.115 0.000 0.812 23 L CB 1.890 44.000 42.059 0.084 0.000 1.223 23 L HN 0.437 nan 8.230 nan 0.000 0.421 24 T N 1.976 116.614 114.554 0.140 0.000 2.767 24 T HA 0.641 4.991 4.350 -0.000 0.000 0.284 24 T C 0.195 174.991 174.700 0.160 0.000 0.973 24 T CA -0.540 61.637 62.100 0.128 0.000 0.996 24 T CB 1.086 69.990 68.868 0.060 0.000 0.927 24 T HN 0.739 nan 8.240 nan 0.000 0.456 25 T N -0.785 113.897 114.554 0.213 0.000 2.858 25 T HA 0.386 4.736 4.350 -0.000 0.000 0.285 25 T C 1.309 176.090 174.700 0.136 0.000 1.052 25 T CA -0.837 61.367 62.100 0.174 0.000 1.009 25 T CB 1.486 70.466 68.868 0.187 0.000 1.241 25 T HN 0.470 nan 8.240 nan 0.000 0.542 26 E N 0.429 120.688 120.200 0.097 0.000 2.331 26 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 26 E C 0.909 177.564 176.600 0.093 0.000 1.008 26 E CA 1.027 57.470 56.400 0.072 0.000 0.843 26 E CB -0.165 29.563 29.700 0.047 0.000 0.761 26 E HN 0.523 nan 8.360 nan 0.000 0.507 27 K N 0.630 121.131 120.400 0.170 0.000 2.374 27 K HA 0.247 4.566 4.320 -0.000 0.000 0.196 27 K C 0.920 177.639 176.600 0.199 0.000 1.023 27 K CA 0.656 57.073 56.287 0.216 0.000 1.103 27 K CB 1.085 33.753 32.500 0.281 0.000 0.848 27 K HN 0.328 nan 8.250 nan 0.000 0.528 28 G N 0.064 108.924 108.800 0.099 0.000 2.306 28 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.262 28 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.262 28 G C -1.464 173.215 174.900 -0.367 0.000 1.263 28 G CA -0.722 44.266 45.100 -0.187 0.000 1.088 28 G HN -0.121 nan 8.290 nan 0.000 0.489 29 V N 0.590 120.151 119.914 -0.588 0.000 2.398 29 V HA 0.735 4.854 4.120 -0.000 0.000 0.286 29 V C -0.724 174.957 176.094 -0.688 0.000 1.026 29 V CA -0.351 61.697 62.300 -0.420 0.000 0.868 29 V CB 1.015 32.725 31.823 -0.189 0.000 0.982 29 V HN 0.607 nan 8.190 nan 0.000 0.443 30 F N 3.833 123.793 119.950 0.017 0.000 2.477 30 F HA 0.666 5.193 4.527 -0.000 0.000 0.335 30 F C 0.177 175.986 175.800 0.015 0.000 1.130 30 F CA -0.588 57.424 58.000 0.019 0.000 0.948 30 F CB 1.678 40.689 39.000 0.018 0.000 1.154 30 F HN 0.337 nan 8.300 nan 0.000 0.439 31 R N 2.009 122.601 120.500 0.155 0.000 2.562 31 R HA 0.778 5.118 4.340 -0.000 0.000 0.298 31 R C -1.119 175.230 176.300 0.081 0.000 0.961 31 R CA -0.437 55.716 56.100 0.087 0.000 0.881 31 R CB 1.757 32.088 30.300 0.052 0.000 1.159 31 R HN 0.808 nan 8.270 nan 0.000 0.450 32 S N 4.367 120.087 115.700 0.033 0.000 2.549 32 S HA 0.599 5.069 4.470 -0.000 0.000 0.280 32 S C -0.550 174.035 174.600 -0.024 0.000 1.109 32 S CA -0.865 57.337 58.200 0.003 0.000 0.905 32 S CB 1.471 64.636 63.200 -0.058 0.000 1.081 32 S HN 0.525 nan 8.310 nan 0.000 0.477 33 I N 1.935 122.493 120.570 -0.020 0.000 2.530 33 I HA 0.467 4.637 4.170 -0.000 0.000 0.297 33 I C -0.754 175.333 176.117 -0.049 0.000 1.011 33 I CA -1.328 59.952 61.300 -0.033 0.000 1.107 33 I CB 2.199 40.194 38.000 -0.010 0.000 1.285 33 I HN 0.444 nan 8.210 nan 0.000 0.436 34 V N 7.039 126.911 119.914 -0.070 0.000 2.432 34 V HA 0.305 4.425 4.120 -0.000 0.000 0.275 34 V C -1.926 174.131 176.094 -0.060 0.000 1.043 34 V CA -1.258 60.997 62.300 -0.075 0.000 0.925 34 V CB 0.873 32.640 31.823 -0.093 0.000 0.985 34 V HN 0.599 nan 8.190 nan 0.000 0.466 35 P HA 0.413 nan 4.420 nan 0.000 0.284 35 P C -0.818 176.453 177.300 -0.049 0.000 1.292 35 P CA -0.662 62.418 63.100 -0.033 0.000 0.800 35 P CB 1.336 33.032 31.700 -0.007 0.000 1.188 36 S N -1.317 114.352 115.700 -0.051 0.000 2.572 36 S HA 0.653 5.122 4.470 -0.000 0.000 0.274 36 S C -0.288 174.280 174.600 -0.053 0.000 1.150 36 S CA -0.621 57.545 58.200 -0.056 0.000 0.944 36 S CB 0.412 63.572 63.200 -0.066 0.000 1.071 36 S HN 0.631 nan 8.310 nan 0.000 0.479 37 G N 1.935 110.706 108.800 -0.047 0.000 2.522 37 G HA2 0.726 4.686 3.960 -0.000 0.000 0.304 37 G HA3 0.726 4.686 3.960 -0.000 0.000 0.304 37 G C -0.371 174.516 174.900 -0.022 0.000 1.210 37 G CA -0.325 44.749 45.100 -0.043 0.000 0.960 37 G HN 1.095 nan 8.290 nan 0.000 0.497 38 A N 0.134 122.953 122.820 -0.002 0.000 2.340 38 A HA 0.626 4.946 4.320 -0.000 0.000 0.331 38 A C 0.410 178.016 177.584 0.037 0.000 1.140 38 A CA -0.682 51.380 52.037 0.042 0.000 0.801 38 A CB 0.529 19.592 19.000 0.104 0.000 1.234 38 A HN 0.885 nan 8.150 nan 0.000 0.469 39 N N 0.992 119.715 118.700 0.037 0.000 2.705 39 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 39 N C 0.258 175.752 175.510 -0.027 0.000 1.008 39 N CA 1.437 54.488 53.050 0.003 0.000 0.742 39 N CB -1.450 37.034 38.487 -0.004 0.000 0.906 39 N HN 1.078 nan 8.380 nan 0.000 0.541 40 T N -2.955 111.582 114.554 -0.028 0.000 2.860 40 T HA 0.430 4.780 4.350 -0.000 0.000 0.299 40 T C 1.251 175.917 174.700 -0.058 0.000 1.045 40 T CA -0.195 61.882 62.100 -0.039 0.000 1.071 40 T CB 1.416 70.263 68.868 -0.034 0.000 0.985 40 T HN 0.345 nan 8.240 nan 0.000 0.537 41 G N 0.752 109.518 108.800 -0.057 0.000 2.224 41 G HA2 0.207 4.166 3.960 -0.000 0.000 0.239 41 G HA3 0.207 4.166 3.960 -0.000 0.000 0.239 41 G C 1.202 176.036 174.900 -0.111 0.000 1.240 41 G CA -0.202 44.854 45.100 -0.073 0.000 0.896 41 G HN 1.428 nan 8.290 nan 0.000 0.496 42 V N 0.270 120.057 119.914 -0.213 0.000 2.913 42 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 42 V C 1.467 177.354 176.094 -0.345 0.000 1.098 42 V CA 1.587 63.705 62.300 -0.303 0.000 1.121 42 V CB -0.636 30.959 31.823 -0.380 0.000 0.714 42 V HN 0.749 nan 8.190 nan 0.000 0.487 43 H N 0.193 119.247 119.070 -0.027 0.000 2.549 43 H HA 0.426 4.982 4.556 -0.000 0.000 0.279 43 H C 0.548 175.863 175.328 -0.022 0.000 1.018 43 H CA -0.240 55.796 56.048 -0.020 0.000 1.175 43 H CB 0.188 29.939 29.762 -0.018 0.000 1.485 43 H HN 0.638 nan 8.280 nan 0.000 0.543 44 E N 0.965 121.189 120.200 0.039 0.000 2.404 44 E HA 0.342 4.692 4.350 -0.000 0.000 0.261 44 E C 0.299 176.905 176.600 0.010 0.000 1.074 44 E CA -0.385 56.025 56.400 0.017 0.000 0.917 44 E CB 1.255 30.949 29.700 -0.010 0.000 0.965 44 E HN 0.254 nan 8.360 nan 0.000 0.433 45 A N 2.306 125.128 122.820 0.003 0.000 2.466 45 A HA 0.049 4.369 4.320 -0.000 0.000 0.238 45 A C -0.113 177.462 177.584 -0.015 0.000 1.074 45 A CA -0.370 51.664 52.037 -0.006 0.000 0.774 45 A CB 0.154 19.146 19.000 -0.013 0.000 1.015 45 A HN 0.527 nan 8.150 nan 0.000 0.498 46 L N 0.957 122.170 121.223 -0.016 0.000 2.534 46 L HA 0.133 4.473 4.340 -0.000 0.000 0.271 46 L C 0.605 177.458 176.870 -0.028 0.000 1.178 46 L CA 0.640 55.468 54.840 -0.020 0.000 0.907 46 L CB 0.119 42.168 42.059 -0.017 0.000 1.164 46 L HN 0.738 nan 8.230 nan 0.000 0.482 47 E N 6.527 126.708 120.200 -0.032 0.000 2.046 47 E HA 0.163 4.513 4.350 -0.000 0.000 0.279 47 E C -0.609 175.968 176.600 -0.039 0.000 0.989 47 E CA -0.506 55.868 56.400 -0.042 0.000 0.798 47 E CB 0.748 30.420 29.700 -0.047 0.000 1.086 47 E HN 0.773 nan 8.360 nan 0.000 0.399 48 M N 5.785 125.361 119.600 -0.040 0.000 2.146 48 M HA 0.238 4.718 4.480 -0.000 0.000 0.352 48 M C -0.837 175.438 176.300 -0.042 0.000 1.343 48 M CA -0.190 55.096 55.300 -0.024 0.000 1.115 48 M CB 0.291 32.886 32.600 -0.009 0.000 1.657 48 M HN 0.358 nan 8.290 nan 0.000 0.471 49 R N 3.289 123.770 120.500 -0.032 0.000 2.778 49 R HA 0.271 4.611 4.340 -0.000 0.000 0.277 49 R C -0.095 176.178 176.300 -0.046 0.000 0.977 49 R CA -0.731 55.331 56.100 -0.063 0.000 0.950 49 R CB 1.314 31.582 30.300 -0.053 0.000 1.165 49 R HN 0.701 nan 8.270 nan 0.000 0.474 50 D N 0.693 121.014 120.400 -0.132 0.000 2.178 50 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 50 D C 1.122 177.390 176.300 -0.053 0.000 0.974 50 D CA 1.550 55.405 54.000 -0.243 0.000 0.841 50 D CB 0.041 40.609 40.800 -0.387 0.000 0.953 50 D HN 0.934 nan 8.370 nan 0.000 0.478 51 G N 1.370 110.162 108.800 -0.013 0.000 2.168 51 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.257 51 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.257 51 G C -0.022 174.899 174.900 0.035 0.000 0.997 51 G CA 0.424 45.538 45.100 0.024 0.000 0.708 51 G HN 0.346 nan 8.290 nan 0.000 0.520 52 D N 0.062 120.482 120.400 0.032 0.000 2.402 52 D HA 0.407 5.047 4.640 -0.000 0.000 0.235 52 D C 1.615 177.946 176.300 0.051 0.000 1.226 52 D CA -0.512 53.514 54.000 0.043 0.000 0.918 52 D CB 0.543 41.370 40.800 0.044 0.000 1.043 52 D HN 0.044 nan 8.370 nan 0.000 0.506 53 K N 0.950 121.374 120.400 0.039 0.000 2.360 53 K HA -0.111 4.208 4.320 -0.000 0.000 0.201 53 K C 1.795 178.409 176.600 0.024 0.000 1.046 53 K CA 0.842 57.151 56.287 0.036 0.000 0.940 53 K CB -0.317 32.200 32.500 0.028 0.000 0.748 53 K HN 0.401 nan 8.250 nan 0.000 0.465 54 S N -0.602 115.104 115.700 0.011 0.000 2.562 54 S HA 0.079 4.549 4.470 -0.000 0.000 0.221 54 S C 0.258 174.823 174.600 -0.058 0.000 0.975 54 S CA -0.056 58.133 58.200 -0.019 0.000 0.918 54 S CB 0.031 63.219 63.200 -0.021 0.000 0.772 54 S HN 0.053 nan 8.310 nan 0.000 0.531 55 K N 0.305 120.682 120.400 -0.037 0.000 2.482 55 K HA 0.233 4.553 4.320 -0.000 0.000 0.251 55 K C -0.951 175.698 176.600 0.082 0.000 0.936 55 K CA -0.750 55.446 56.287 -0.153 0.000 0.791 55 K CB 1.053 33.413 32.500 -0.234 0.000 1.213 55 K HN 0.149 nan 8.250 nan 0.000 0.428 56 W N 3.261 124.565 121.300 0.007 0.000 4.233 56 W HA -0.266 4.393 4.660 -0.000 0.000 0.328 56 W C -0.084 176.436 176.519 0.001 0.000 1.212 56 W CA 0.700 58.052 57.345 0.011 0.000 0.752 56 W CB -2.006 27.446 29.460 -0.013 0.000 2.277 56 W HN 0.928 nan 8.180 nan 0.000 1.465 57 M N -0.551 119.144 119.600 0.160 0.000 2.503 57 M HA -0.202 4.278 4.480 -0.000 0.000 0.199 57 M C 1.238 177.598 176.300 0.100 0.000 0.466 57 M CA 2.564 57.926 55.300 0.103 0.000 0.510 57 M CB -1.676 30.977 32.600 0.089 0.000 1.858 57 M HN 0.702 nan 8.290 nan 0.000 0.799 58 G N -1.164 107.708 108.800 0.120 0.000 2.176 58 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.253 58 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.253 58 G C 0.595 175.533 174.900 0.063 0.000 0.979 58 G CA 0.473 45.623 45.100 0.083 0.000 0.641 58 G HN 0.554 nan 8.290 nan 0.000 0.530 59 K N 0.905 121.359 120.400 0.090 0.000 2.469 59 K HA 0.378 4.698 4.320 -0.000 0.000 0.201 59 K C 1.516 178.013 176.600 -0.171 0.000 1.028 59 K CA 0.127 56.402 56.287 -0.020 0.000 1.170 59 K CB 0.665 33.155 32.500 -0.016 0.000 0.874 59 K HN 0.407 nan 8.250 nan 0.000 0.507 60 G N 0.883 109.614 108.800 -0.114 0.000 2.594 60 G HA2 0.181 4.140 3.960 -0.000 0.000 0.243 60 G HA3 0.181 4.140 3.960 -0.000 0.000 0.243 60 G C 0.592 175.252 174.900 -0.400 0.000 1.229 60 G CA -0.444 44.395 45.100 -0.434 0.000 0.843 60 G HN 0.128 nan 8.290 nan 0.000 0.578 61 V N 0.076 119.689 119.914 -0.502 0.000 2.988 61 V HA 0.298 4.418 4.120 -0.000 0.000 0.356 61 V C 1.688 177.635 176.094 -0.245 0.000 1.380 61 V CA -0.180 61.925 62.300 -0.324 0.000 1.184 61 V CB -0.548 31.085 31.823 -0.317 0.000 1.204 61 V HN 0.630 nan 8.190 nan 0.000 0.530 62 L N -0.263 120.818 121.223 -0.236 0.000 2.042 62 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 62 L C 2.711 179.595 176.870 0.023 0.000 1.076 62 L CA 2.521 57.302 54.840 -0.098 0.000 0.749 62 L CB -0.862 41.179 42.059 -0.031 0.000 0.893 62 L HN 0.511 nan 8.230 nan 0.000 0.432 63 H N -0.503 118.536 119.070 -0.051 0.000 2.321 63 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 63 H C 2.386 177.677 175.328 -0.061 0.000 1.087 63 H CA 0.783 56.805 56.048 -0.043 0.000 1.319 63 H CB 0.040 29.784 29.762 -0.031 0.000 1.379 63 H HN 0.397 nan 8.280 nan 0.000 0.501 64 A N 0.762 123.607 122.820 0.042 0.000 1.902 64 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 64 A C 2.638 180.187 177.584 -0.059 0.000 1.181 64 A CA 1.518 53.538 52.037 -0.028 0.000 0.623 64 A CB -0.850 18.109 19.000 -0.068 0.000 0.818 64 A HN 0.207 nan 8.150 nan 0.000 0.443 65 V N 0.200 120.064 119.914 -0.083 0.000 2.295 65 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 65 V C 2.556 178.598 176.094 -0.088 0.000 1.049 65 V CA 2.460 64.688 62.300 -0.120 0.000 1.024 65 V CB -0.634 31.096 31.823 -0.154 0.000 0.648 65 V HN 0.702 nan 8.190 nan 0.000 0.447 66 K N 0.045 120.426 120.400 -0.030 0.000 2.063 66 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 66 K C 2.013 178.604 176.600 -0.016 0.000 1.048 66 K CA 1.879 58.161 56.287 -0.008 0.000 0.928 66 K CB -0.189 32.328 32.500 0.028 0.000 0.713 66 K HN 0.437 nan 8.250 nan 0.000 0.442 67 N N 0.394 119.082 118.700 -0.020 0.000 2.149 67 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 67 N C 1.777 177.272 175.510 -0.026 0.000 1.019 67 N CA 1.249 54.285 53.050 -0.023 0.000 0.857 67 N CB -0.342 38.129 38.487 -0.027 0.000 0.997 67 N HN 0.022 nan 8.380 nan 0.000 0.426 68 V N 1.852 121.737 119.914 -0.049 0.000 2.261 68 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 68 V C 1.874 177.951 176.094 -0.029 0.000 1.047 68 V CA 1.486 63.753 62.300 -0.055 0.000 1.015 68 V CB -0.441 31.319 31.823 -0.104 0.000 0.642 68 V HN 0.313 nan 8.190 nan 0.000 0.446 69 N N 0.065 118.741 118.700 -0.040 0.000 2.250 69 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 69 N C 1.383 176.916 175.510 0.039 0.000 1.017 69 N CA 1.416 54.467 53.050 0.002 0.000 0.866 69 N CB -0.207 38.269 38.487 -0.018 0.000 0.985 69 N HN 0.474 nan 8.380 nan 0.000 0.429 70 D N -0.928 119.487 120.400 0.025 0.000 2.392 70 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 70 D C 1.677 177.998 176.300 0.034 0.000 1.046 70 D CA 0.225 54.245 54.000 0.032 0.000 0.865 70 D CB 0.737 41.550 40.800 0.022 0.000 0.969 70 D HN -0.001 nan 8.370 nan 0.000 0.509 71 V N -0.028 119.904 119.914 0.030 0.000 2.950 71 V HA 0.123 4.243 4.120 -0.000 0.000 0.231 71 V C 2.181 178.315 176.094 0.067 0.000 1.205 71 V CA 0.108 62.428 62.300 0.034 0.000 1.239 71 V CB 0.171 31.998 31.823 0.006 0.000 1.050 71 V HN 0.011 nan 8.190 nan 0.000 0.498 72 I N 1.095 121.705 120.570 0.065 0.000 2.233 72 I HA -0.137 4.032 4.170 -0.000 0.000 0.243 72 I C 2.759 179.003 176.117 0.212 0.000 1.093 72 I CA 1.487 62.865 61.300 0.130 0.000 1.380 72 I CB -0.593 37.452 38.000 0.073 0.000 1.067 72 I HN 0.300 nan 8.210 nan 0.000 0.413 73 A N 2.058 124.957 122.820 0.133 0.000 1.859 73 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 73 A C 0.116 177.814 177.584 0.190 0.000 1.198 73 A CA 2.199 54.325 52.037 0.148 0.000 0.629 73 A CB -2.185 16.877 19.000 0.102 0.000 0.830 73 A HN 0.302 nan 8.150 nan 0.000 0.446 74 P HA -0.048 nan 4.420 nan 0.000 0.221 74 P C 1.424 178.814 177.300 0.151 0.000 1.150 74 P CA 1.788 64.964 63.100 0.127 0.000 0.800 74 P CB -0.148 31.607 31.700 0.093 0.000 0.787 75 A N -1.072 121.878 122.820 0.216 0.000 1.929 75 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 75 A C 2.069 179.851 177.584 0.330 0.000 1.176 75 A CA 0.819 53.043 52.037 0.311 0.000 0.628 75 A CB -1.615 17.617 19.000 0.387 0.000 0.816 75 A HN 0.110 nan 8.150 nan 0.000 0.444 76 F N 0.379 120.450 119.950 0.202 0.000 2.128 76 F HA -0.085 4.442 4.527 -0.000 0.000 0.295 76 F C 2.258 177.980 175.800 -0.131 0.000 1.100 76 F CA 1.708 59.706 58.000 -0.003 0.000 1.260 76 F CB -0.106 38.974 39.000 0.133 0.000 1.009 76 F HN 0.023 nan 8.300 nan 0.000 0.476 77 V N 0.779 120.812 119.914 0.199 0.000 2.295 77 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 77 V C 2.176 178.249 176.094 -0.035 0.000 1.049 77 V CA 2.249 64.606 62.300 0.096 0.000 1.024 77 V CB -0.705 31.189 31.823 0.117 0.000 0.648 77 V HN 0.269 nan 8.190 nan 0.000 0.447 78 K N 0.365 120.746 120.400 -0.031 0.000 2.365 78 K HA 0.037 4.357 4.320 -0.000 0.000 0.199 78 K C 2.014 178.535 176.600 -0.131 0.000 1.045 78 K CA 1.079 57.335 56.287 -0.052 0.000 0.962 78 K CB -0.253 32.245 32.500 -0.005 0.000 0.759 78 K HN 0.478 nan 8.250 nan 0.000 0.469 79 A N 1.516 124.173 122.820 -0.272 0.000 2.167 79 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 79 A C -0.009 177.356 177.584 -0.365 0.000 1.151 79 A CA 0.296 52.090 52.037 -0.406 0.000 0.735 79 A CB -0.588 17.872 19.000 -0.901 0.000 0.802 79 A HN 0.525 nan 8.150 nan 0.000 0.467 80 N N -0.745 117.777 118.700 -0.298 0.000 2.688 80 N HA -0.159 4.581 4.740 -0.000 0.000 0.258 80 N C -0.717 174.633 175.510 -0.267 0.000 1.016 80 N CA 0.462 53.379 53.050 -0.221 0.000 0.747 80 N CB -1.254 37.150 38.487 -0.138 0.000 0.895 80 N HN 0.614 nan 8.380 nan 0.000 0.543 81 I N -0.171 120.158 120.570 -0.402 0.000 2.519 81 I HA 0.079 4.249 4.170 -0.000 0.000 0.287 81 I C 0.784 176.785 176.117 -0.194 0.000 1.047 81 I CA -0.372 60.708 61.300 -0.367 0.000 1.381 81 I CB 0.580 38.208 38.000 -0.620 0.000 1.417 81 I HN 0.129 nan 8.210 nan 0.000 0.540 82 D N 5.063 125.390 120.400 -0.123 0.000 2.336 82 D HA 0.088 4.728 4.640 -0.000 0.000 0.249 82 D C 1.015 177.299 176.300 -0.028 0.000 1.213 82 D CA -0.440 53.523 54.000 -0.063 0.000 0.870 82 D CB 1.412 42.184 40.800 -0.047 0.000 1.076 82 D HN 0.377 nan 8.370 nan 0.000 0.483 83 V N 2.606 122.516 119.914 -0.007 0.000 2.720 83 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 83 V C 1.722 177.835 176.094 0.032 0.000 1.082 83 V CA 1.165 63.485 62.300 0.032 0.000 1.101 83 V CB -0.702 31.126 31.823 0.007 0.000 0.693 83 V HN 0.423 nan 8.190 nan 0.000 0.479 84 K N 0.556 120.959 120.400 0.006 0.000 2.365 84 K HA -0.036 4.283 4.320 -0.000 0.000 0.199 84 K C 0.791 177.455 176.600 0.107 0.000 1.045 84 K CA 0.995 57.314 56.287 0.053 0.000 0.962 84 K CB -0.165 32.342 32.500 0.012 0.000 0.759 84 K HN 0.465 nan 8.250 nan 0.000 0.469 85 D N 1.314 121.750 120.400 0.060 0.000 2.564 85 D HA -0.006 4.633 4.640 -0.000 0.000 0.226 85 D C 0.889 177.229 176.300 0.066 0.000 1.149 85 D CA -0.004 54.026 54.000 0.050 0.000 0.994 85 D CB 0.927 41.737 40.800 0.016 0.000 1.029 85 D HN -0.077 nan 8.370 nan 0.000 0.517 86 Q N 2.815 122.669 119.800 0.089 0.000 2.135 86 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 86 Q C 1.456 177.501 176.000 0.075 0.000 0.981 86 Q CA 1.652 57.512 55.803 0.095 0.000 0.856 86 Q CB 0.199 28.987 28.738 0.084 0.000 0.902 86 Q HN 0.340 nan 8.270 nan 0.000 0.425 87 K N -0.611 119.821 120.400 0.052 0.000 2.057 87 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 87 K C 2.053 178.686 176.600 0.054 0.000 1.049 87 K CA 1.136 57.449 56.287 0.044 0.000 0.931 87 K CB -0.299 32.217 32.500 0.027 0.000 0.714 87 K HN 0.288 nan 8.250 nan 0.000 0.440 88 A N 1.213 124.060 122.820 0.045 0.000 1.902 88 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 88 A C 2.408 180.038 177.584 0.077 0.000 1.181 88 A CA 1.482 53.543 52.037 0.040 0.000 0.623 88 A CB -0.747 18.250 19.000 -0.004 0.000 0.818 88 A HN 0.068 nan 8.150 nan 0.000 0.443 89 V N 0.758 120.730 119.914 0.098 0.000 2.252 89 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 89 V C 2.191 178.448 176.094 0.271 0.000 1.056 89 V CA 2.472 64.895 62.300 0.206 0.000 1.022 89 V CB -0.759 31.209 31.823 0.243 0.000 0.641 89 V HN 0.538 nan 8.190 nan 0.000 0.445 90 D N -0.545 119.958 120.400 0.171 0.000 2.162 90 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 90 D C 1.911 178.275 176.300 0.106 0.000 0.967 90 D CA 1.060 55.138 54.000 0.129 0.000 0.840 90 D CB -0.370 40.476 40.800 0.076 0.000 0.972 90 D HN 0.403 nan 8.370 nan 0.000 0.482 91 D N 0.273 120.732 120.400 0.098 0.000 2.123 91 D HA -0.162 4.477 4.640 -0.000 0.000 0.196 91 D C 1.794 178.155 176.300 0.102 0.000 0.992 91 D CA 0.483 54.528 54.000 0.076 0.000 0.833 91 D CB -0.475 40.363 40.800 0.064 0.000 0.954 91 D HN 0.187 nan 8.370 nan 0.000 0.455 92 F N 1.159 121.117 119.950 0.013 0.000 2.102 92 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 92 F C 2.121 177.951 175.800 0.051 0.000 1.105 92 F CA 1.118 59.124 58.000 0.010 0.000 1.239 92 F CB -0.347 38.630 39.000 -0.037 0.000 0.991 92 F HN -0.109 nan 8.300 nan 0.000 0.474 93 L N -0.086 121.187 121.223 0.083 0.000 2.017 93 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 93 L C 2.504 179.311 176.870 -0.105 0.000 1.073 93 L CA 1.550 56.379 54.840 -0.018 0.000 0.745 93 L CB -0.699 41.432 42.059 0.121 0.000 0.894 93 L HN 0.172 nan 8.230 nan 0.000 0.432 94 I N -0.401 120.138 120.570 -0.052 0.000 2.286 94 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 94 I C 2.735 178.795 176.117 -0.095 0.000 1.115 94 I CA 1.551 62.816 61.300 -0.057 0.000 1.392 94 I CB -0.261 37.723 38.000 -0.025 0.000 1.065 94 I HN 0.349 nan 8.210 nan 0.000 0.418 95 S N 0.699 116.324 115.700 -0.125 0.000 2.423 95 S HA -0.151 4.318 4.470 -0.000 0.000 0.231 95 S C 1.923 176.409 174.600 -0.190 0.000 1.014 95 S CA 0.726 58.846 58.200 -0.134 0.000 0.965 95 S CB -0.522 62.609 63.200 -0.115 0.000 0.785 95 S HN 0.365 nan 8.310 nan 0.000 0.495 96 L N 2.044 123.089 121.223 -0.297 0.000 2.179 96 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 96 L C 1.959 178.733 176.870 -0.160 0.000 1.096 96 L CA 1.984 56.649 54.840 -0.292 0.000 0.779 96 L CB -0.692 41.098 42.059 -0.448 0.000 0.922 96 L HN 0.405 nan 8.230 nan 0.000 0.443 97 D N -0.992 119.330 120.400 -0.130 0.000 2.106 97 D HA -0.005 4.635 4.640 -0.000 0.000 0.203 97 D C 1.673 177.932 176.300 -0.067 0.000 0.977 97 D CA 1.566 55.516 54.000 -0.083 0.000 0.844 97 D CB -0.028 40.732 40.800 -0.068 0.000 1.002 97 D HN 0.371 nan 8.370 nan 0.000 0.461 98 G N -0.245 108.515 108.800 -0.066 0.000 2.159 98 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 98 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 98 G C 0.435 175.312 174.900 -0.038 0.000 0.977 98 G CA 1.030 46.099 45.100 -0.052 0.000 0.652 98 G HN 0.811 nan 8.290 nan 0.000 0.531 99 T N -3.531 111.002 114.554 -0.035 0.000 2.912 99 T HA 0.831 5.181 4.350 -0.000 0.000 0.288 99 T C 1.468 176.154 174.700 -0.023 0.000 1.030 99 T CA 0.376 62.460 62.100 -0.026 0.000 1.020 99 T CB 1.905 70.760 68.868 -0.023 0.000 1.056 99 T HN 1.392 nan 8.240 nan 0.000 0.480 100 A N 2.051 124.861 122.820 -0.017 0.000 1.917 100 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 100 A C 1.727 179.304 177.584 -0.012 0.000 1.182 100 A CA 1.402 53.430 52.037 -0.015 0.000 0.633 100 A CB -0.717 18.278 19.000 -0.010 0.000 0.819 100 A HN 0.832 nan 8.150 nan 0.000 0.448 101 N N -0.688 118.007 118.700 -0.008 0.000 2.328 101 N HA 0.160 4.900 4.740 -0.000 0.000 0.247 101 N C -0.736 174.766 175.510 -0.013 0.000 1.165 101 N CA 0.100 53.148 53.050 -0.004 0.000 0.873 101 N CB 0.496 38.989 38.487 0.009 0.000 1.125 101 N HN 0.449 nan 8.380 nan 0.000 0.513 102 K N -0.264 120.124 120.400 -0.020 0.000 3.077 102 K HA -0.161 4.159 4.320 -0.000 0.000 0.264 102 K C 0.663 177.248 176.600 -0.025 0.000 1.008 102 K CA 0.790 57.061 56.287 -0.027 0.000 0.740 102 K CB -1.901 30.581 32.500 -0.029 0.000 1.273 102 K HN 0.324 nan 8.250 nan 0.000 0.477 103 S N -0.734 114.953 115.700 -0.021 0.000 2.558 103 S HA -0.040 4.430 4.470 -0.000 0.000 0.217 103 S C 1.586 176.174 174.600 -0.021 0.000 0.975 103 S CA 0.670 58.859 58.200 -0.018 0.000 0.912 103 S CB 0.339 63.532 63.200 -0.012 0.000 0.776 103 S HN 0.425 nan 8.310 nan 0.000 0.526 104 K N 1.776 122.160 120.400 -0.027 0.000 2.128 104 K HA 0.304 4.624 4.320 -0.000 0.000 0.202 104 K C 1.650 178.229 176.600 -0.034 0.000 1.050 104 K CA 1.043 57.311 56.287 -0.031 0.000 0.966 104 K CB -0.371 32.108 32.500 -0.036 0.000 0.759 104 K HN 0.425 nan 8.250 nan 0.000 0.454 105 L N -0.878 120.323 121.223 -0.036 0.000 2.500 105 L HA 0.369 4.708 4.340 -0.000 0.000 0.219 105 L C 0.278 177.128 176.870 -0.034 0.000 1.057 105 L CA 0.045 54.863 54.840 -0.037 0.000 0.854 105 L CB 0.286 42.318 42.059 -0.044 0.000 1.078 105 L HN 0.446 nan 8.230 nan 0.000 0.480 106 G N -0.335 108.445 108.800 -0.033 0.000 2.911 106 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.686 106 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.686 106 G C 0.427 175.302 174.900 -0.042 0.000 1.136 106 G CA -0.332 44.748 45.100 -0.035 0.000 0.764 106 G HN 0.143 nan 8.290 nan 0.000 0.626 107 A N 1.687 124.483 122.820 -0.041 0.000 2.015 107 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 107 A C 2.195 179.745 177.584 -0.057 0.000 1.163 107 A CA 2.107 54.117 52.037 -0.045 0.000 0.646 107 A CB -0.340 18.636 19.000 -0.039 0.000 0.806 107 A HN 1.625 nan 8.150 nan 0.000 0.448 108 N N 0.222 118.885 118.700 -0.063 0.000 2.467 108 N HA 0.148 4.888 4.740 -0.000 0.000 0.184 108 N C 1.238 176.697 175.510 -0.086 0.000 1.106 108 N CA 1.162 54.165 53.050 -0.079 0.000 0.892 108 N CB -0.285 38.150 38.487 -0.087 0.000 0.969 108 N HN 0.341 nan 8.380 nan 0.000 0.454 109 A N 0.781 123.556 122.820 -0.074 0.000 1.943 109 A HA 0.279 4.598 4.320 -0.000 0.000 0.213 109 A C 2.214 179.753 177.584 -0.075 0.000 1.181 109 A CA 0.154 52.145 52.037 -0.076 0.000 0.653 109 A CB -0.256 18.708 19.000 -0.061 0.000 0.833 109 A HN 0.190 nan 8.150 nan 0.000 0.451 110 I N -0.711 119.821 120.570 -0.063 0.000 2.333 110 I HA -0.124 4.046 4.170 -0.000 0.000 0.246 110 I C 2.306 178.382 176.117 -0.070 0.000 1.106 110 I CA 0.669 61.937 61.300 -0.055 0.000 1.411 110 I CB -0.059 37.917 38.000 -0.039 0.000 1.082 110 I HN 0.358 nan 8.210 nan 0.000 0.420 111 L N 1.024 122.199 121.223 -0.080 0.000 2.083 111 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 111 L C 2.295 179.087 176.870 -0.131 0.000 1.083 111 L CA 2.111 56.891 54.840 -0.101 0.000 0.752 111 L CB -1.112 40.887 42.059 -0.101 0.000 0.899 111 L HN 0.195 nan 8.230 nan 0.000 0.433 112 G N -1.284 107.442 108.800 -0.123 0.000 2.432 112 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.219 112 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.219 112 G C 1.460 176.279 174.900 -0.135 0.000 1.135 112 G CA 1.027 46.051 45.100 -0.128 0.000 0.767 112 G HN 0.347 nan 8.290 nan 0.000 0.550 113 V N 0.606 120.432 119.914 -0.147 0.000 2.323 113 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 113 V C 2.954 178.955 176.094 -0.155 0.000 1.041 113 V CA 2.014 64.191 62.300 -0.205 0.000 1.025 113 V CB -0.403 31.253 31.823 -0.279 0.000 0.656 113 V HN 0.464 nan 8.190 nan 0.000 0.451 114 S N -0.098 115.543 115.700 -0.099 0.000 2.365 114 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 114 S C 1.943 176.491 174.600 -0.088 0.000 1.039 114 S CA 1.918 60.087 58.200 -0.051 0.000 1.033 114 S CB -0.323 62.846 63.200 -0.051 0.000 0.887 114 S HN 0.492 nan 8.310 nan 0.000 0.447 115 L N 0.790 121.898 121.223 -0.191 0.000 2.072 115 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 115 L C 2.978 179.778 176.870 -0.117 0.000 1.079 115 L CA 1.200 55.850 54.840 -0.316 0.000 0.752 115 L CB -0.876 40.845 42.059 -0.564 0.000 0.906 115 L HN 0.416 nan 8.230 nan 0.000 0.436 116 A N 0.243 123.016 122.820 -0.078 0.000 1.972 116 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 116 A C 2.515 180.095 177.584 -0.007 0.000 1.169 116 A CA 1.632 53.672 52.037 0.005 0.000 0.635 116 A CB -0.532 18.470 19.000 0.002 0.000 0.810 116 A HN 0.407 nan 8.150 nan 0.000 0.446 117 A N 0.322 123.125 122.820 -0.028 0.000 1.930 117 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 117 A C 2.494 180.071 177.584 -0.010 0.000 1.175 117 A CA 2.148 54.182 52.037 -0.005 0.000 0.627 117 A CB -0.862 18.188 19.000 0.083 0.000 0.815 117 A HN 0.978 nan 8.150 nan 0.000 0.443 118 S N 0.004 115.744 115.700 0.066 0.000 2.383 118 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 118 S C 1.993 176.641 174.600 0.080 0.000 1.026 118 S CA 1.049 59.360 58.200 0.184 0.000 0.981 118 S CB -0.441 62.952 63.200 0.322 0.000 0.818 118 S HN 0.631 nan 8.310 nan 0.000 0.472 119 R N 1.526 122.048 120.500 0.036 0.000 2.075 119 R HA 0.145 4.485 4.340 -0.000 0.000 0.232 119 R C 2.807 178.812 176.300 -0.492 0.000 1.126 119 R CA 1.186 57.264 56.100 -0.037 0.000 0.963 119 R CB -0.850 29.546 30.300 0.161 0.000 0.858 119 R HN 0.558 nan 8.270 nan 0.000 0.435 120 A N 1.603 123.931 122.820 -0.820 0.000 1.940 120 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 120 A C 2.401 179.569 177.584 -0.694 0.000 1.176 120 A CA 1.769 52.987 52.037 -1.364 0.000 0.631 120 A CB -0.588 17.958 19.000 -0.756 0.000 0.814 120 A HN 0.399 nan 8.150 nan 0.000 0.446 121 A N -0.298 122.254 122.820 -0.447 0.000 1.930 121 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 121 A C 2.480 179.721 177.584 -0.571 0.000 1.175 121 A CA 1.912 53.687 52.037 -0.438 0.000 0.627 121 A CB -0.911 17.851 19.000 -0.397 0.000 0.815 121 A HN 1.023 nan 8.150 nan 0.000 0.443 122 A N -0.078 122.405 122.820 -0.562 0.000 1.898 122 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 122 A C 2.493 179.943 177.584 -0.224 0.000 1.181 122 A CA 1.935 53.745 52.037 -0.378 0.000 0.620 122 A CB -0.980 17.913 19.000 -0.178 0.000 0.819 122 A HN 1.009 nan 8.150 nan 0.000 0.442 123 A N -0.224 122.465 122.820 -0.218 0.000 1.883 123 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 123 A C 2.041 179.577 177.584 -0.079 0.000 1.186 123 A CA 1.891 53.883 52.037 -0.075 0.000 0.624 123 A CB -0.607 18.412 19.000 0.031 0.000 0.822 123 A HN 0.675 nan 8.150 nan 0.000 0.444 124 E N -0.114 119.993 120.200 -0.154 0.000 2.085 124 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 124 E C 1.701 178.250 176.600 -0.084 0.000 0.994 124 E CA 1.478 57.816 56.400 -0.102 0.000 0.801 124 E CB -0.099 29.526 29.700 -0.125 0.000 0.743 124 E HN 0.612 nan 8.360 nan 0.000 0.453 125 K N 0.201 120.528 120.400 -0.122 0.000 2.459 125 K HA -0.030 4.290 4.320 -0.000 0.000 0.193 125 K C 0.373 176.938 176.600 -0.059 0.000 1.030 125 K CA 0.423 56.657 56.287 -0.088 0.000 1.026 125 K CB 0.009 32.441 32.500 -0.113 0.000 0.809 125 K HN 0.092 nan 8.250 nan 0.000 0.504 126 N N 0.529 119.195 118.700 -0.056 0.000 2.714 126 N HA -0.160 4.579 4.740 -0.000 0.000 0.253 126 N C -1.187 174.297 175.510 -0.043 0.000 1.024 126 N CA 0.764 53.793 53.050 -0.035 0.000 0.726 126 N CB -0.922 37.555 38.487 -0.016 0.000 0.908 126 N HN 0.126 nan 8.380 nan 0.000 0.542 127 V N -2.890 116.982 119.914 -0.070 0.000 3.040 127 V HA 0.904 5.024 4.120 -0.000 0.000 0.312 127 V C -2.324 173.682 176.094 -0.147 0.000 1.115 127 V CA -2.006 60.237 62.300 -0.095 0.000 0.998 127 V CB 2.091 33.870 31.823 -0.074 0.000 1.042 127 V HN -0.030 nan 8.190 nan 0.000 0.433 128 P HA 0.225 nan 4.420 nan 0.000 0.269 128 P C 0.686 177.759 177.300 -0.379 0.000 1.215 128 P CA -0.316 62.566 63.100 -0.364 0.000 0.780 128 P CB 0.724 31.978 31.700 -0.742 0.000 0.898 129 L N 3.198 124.294 121.223 -0.210 0.000 2.012 129 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 129 L C 2.296 179.108 176.870 -0.097 0.000 1.073 129 L CA 1.948 56.742 54.840 -0.077 0.000 0.748 129 L CB -1.769 40.289 42.059 -0.002 0.000 0.891 129 L HN 0.495 nan 8.230 nan 0.000 0.431 130 Y N -0.544 119.724 120.300 -0.054 0.000 2.256 130 Y HA -0.107 4.442 4.550 -0.001 0.000 0.288 130 Y C 2.467 178.388 175.900 0.035 0.000 1.155 130 Y CA 1.945 60.002 58.100 -0.072 0.000 1.203 130 Y CB -1.660 36.700 38.460 -0.166 0.000 0.980 130 Y HN 0.119 nan 8.280 nan 0.000 0.530 131 K N 0.582 120.804 120.400 -0.297 0.000 2.062 131 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 131 K C 1.965 178.616 176.600 0.086 0.000 1.051 131 K CA 1.606 57.903 56.287 0.018 0.000 0.941 131 K CB -1.729 30.701 32.500 -0.117 0.000 0.719 131 K HN 0.738 nan 8.250 nan 0.000 0.440 132 H N 0.626 119.658 119.070 -0.063 0.000 2.357 132 H HA 0.118 4.674 4.556 -0.000 0.000 0.301 132 H C 1.903 177.245 175.328 0.024 0.000 1.082 132 H CA 1.714 57.750 56.048 -0.019 0.000 1.342 132 H CB -0.163 29.577 29.762 -0.038 0.000 1.389 132 H HN 0.298 nan 8.280 nan 0.000 0.511 133 L N -0.474 120.704 121.223 -0.075 0.000 2.141 133 L HA -0.078 4.261 4.340 -0.000 0.000 0.209 133 L C 2.768 179.614 176.870 -0.039 0.000 1.094 133 L CA 0.883 55.659 54.840 -0.108 0.000 0.763 133 L CB -0.626 41.406 42.059 -0.046 0.000 0.908 133 L HN 0.401 nan 8.230 nan 0.000 0.437 134 A N -0.087 122.763 122.820 0.050 0.000 1.898 134 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 134 A C 1.896 179.485 177.584 0.008 0.000 1.181 134 A CA 1.687 53.764 52.037 0.067 0.000 0.620 134 A CB -0.416 18.676 19.000 0.154 0.000 0.819 134 A HN 0.308 nan 8.150 nan 0.000 0.442 135 D N 0.390 120.787 120.400 -0.005 0.000 2.106 135 D HA -0.168 4.471 4.640 -0.000 0.000 0.191 135 D C 1.930 178.193 176.300 -0.061 0.000 0.997 135 D CA 1.259 55.248 54.000 -0.019 0.000 0.834 135 D CB -0.502 40.312 40.800 0.024 0.000 0.956 135 D HN 0.422 nan 8.370 nan 0.000 0.448 136 L N 0.692 121.820 121.223 -0.158 0.000 2.129 136 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 136 L C 2.145 178.985 176.870 -0.050 0.000 1.087 136 L CA 1.566 56.324 54.840 -0.136 0.000 0.757 136 L CB -0.428 41.495 42.059 -0.226 0.000 0.896 136 L HN 0.107 nan 8.230 nan 0.000 0.434 137 S N -2.790 112.894 115.700 -0.026 0.000 2.540 137 S HA 0.074 4.544 4.470 -0.000 0.000 0.218 137 S C 0.726 175.338 174.600 0.020 0.000 0.977 137 S CA -0.447 57.763 58.200 0.016 0.000 0.918 137 S CB 0.342 63.573 63.200 0.051 0.000 0.806 137 S HN 0.182 nan 8.310 nan 0.000 0.496 138 K N 1.402 121.802 120.400 -0.000 0.000 3.035 138 K HA -0.106 4.214 4.320 -0.000 0.000 0.262 138 K C -0.561 176.030 176.600 -0.015 0.000 1.024 138 K CA 0.586 56.869 56.287 -0.008 0.000 0.748 138 K CB -2.746 29.751 32.500 -0.006 0.000 1.247 138 K HN 0.585 nan 8.250 nan 0.000 0.482 139 S N 0.606 116.298 115.700 -0.014 0.000 2.610 139 S HA 0.299 4.769 4.470 -0.000 0.000 0.273 139 S C 0.609 175.160 174.600 -0.081 0.000 1.274 139 S CA -0.829 57.349 58.200 -0.038 0.000 1.023 139 S CB 1.572 64.769 63.200 -0.005 0.000 0.962 139 S HN 0.355 nan 8.310 nan 0.000 0.523 140 K N -0.041 120.291 120.400 -0.114 0.000 2.237 140 K HA 0.289 4.609 4.320 -0.000 0.000 0.270 140 K C 0.451 176.894 176.600 -0.263 0.000 1.015 140 K CA -0.210 55.986 56.287 -0.152 0.000 0.949 140 K CB 0.368 32.791 32.500 -0.129 0.000 0.976 140 K HN 0.605 nan 8.250 nan 0.000 0.472 141 T N -1.758 112.583 114.554 -0.356 0.000 3.145 141 T HA 0.124 4.474 4.350 -0.000 0.000 0.281 141 T C -0.184 174.179 174.700 -0.563 0.000 1.003 141 T CA -0.217 61.424 62.100 -0.766 0.000 0.901 141 T CB -0.270 68.180 68.868 -0.697 0.000 1.112 141 T HN 0.570 nan 8.240 nan 0.000 0.535 142 S N 1.677 117.210 115.700 -0.278 0.000 2.496 142 S HA 0.595 5.065 4.470 -0.000 0.000 0.221 142 S C -3.142 171.408 174.600 -0.085 0.000 1.260 142 S CA -0.986 57.130 58.200 -0.139 0.000 1.181 142 S CB 1.557 64.704 63.200 -0.088 0.000 1.136 142 S HN 0.199 nan 8.310 nan 0.000 0.467 143 P HA 0.439 nan 4.420 nan 0.000 0.281 143 P C -0.717 176.552 177.300 -0.051 0.000 1.264 143 P CA -0.622 62.465 63.100 -0.021 0.000 0.824 143 P CB 0.593 32.315 31.700 0.037 0.000 1.092 144 Y N -0.793 119.504 120.300 -0.006 0.000 2.385 144 Y HA 0.238 4.788 4.550 -0.000 0.000 0.346 144 Y C 0.860 176.745 175.900 -0.026 0.000 1.270 144 Y CA 0.148 58.234 58.100 -0.022 0.000 1.472 144 Y CB 0.455 38.885 38.460 -0.051 0.000 1.354 144 Y HN -0.029 nan 8.280 nan 0.000 0.611 145 V N 3.729 123.733 119.914 0.150 0.000 2.444 145 V HA 0.296 4.416 4.120 -0.000 0.000 0.294 145 V C -0.387 175.741 176.094 0.056 0.000 1.022 145 V CA -1.015 61.333 62.300 0.079 0.000 0.850 145 V CB 1.309 33.150 31.823 0.030 0.000 0.992 145 V HN 0.505 nan 8.190 nan 0.000 0.426 146 L N 7.752 129.018 121.223 0.072 0.000 2.326 146 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 146 L C -2.070 174.871 176.870 0.119 0.000 1.092 146 L CA -1.523 53.349 54.840 0.052 0.000 0.810 146 L CB 1.687 43.818 42.059 0.120 0.000 1.153 146 L HN 0.422 nan 8.230 nan 0.000 0.439 147 P HA 0.114 nan 4.420 nan 0.000 0.282 147 P C -0.611 176.877 177.300 0.313 0.000 1.249 147 P CA -0.400 62.783 63.100 0.140 0.000 0.806 147 P CB 1.363 33.130 31.700 0.113 0.000 0.984 148 V N 4.961 124.967 119.914 0.153 0.000 2.529 148 V HA 0.088 4.208 4.120 -0.000 0.000 0.292 148 V C -1.686 174.601 176.094 0.322 0.000 1.028 148 V CA -0.888 61.541 62.300 0.215 0.000 1.074 148 V CB 0.097 31.923 31.823 0.005 0.000 0.958 148 V HN 0.592 nan 8.190 nan 0.000 0.481 149 P HA 0.288 nan 4.420 nan 0.000 0.293 149 P C -0.860 176.485 177.300 0.074 0.000 1.313 149 P CA -0.349 62.893 63.100 0.237 0.000 0.787 149 P CB 0.420 32.242 31.700 0.204 0.000 0.910 150 F N 3.612 123.540 119.950 -0.037 0.000 2.377 150 F HA 0.257 4.784 4.527 -0.000 0.000 0.360 150 F C 0.741 176.499 175.800 -0.070 0.000 1.147 150 F CA -0.467 57.490 58.000 -0.071 0.000 1.170 150 F CB 0.306 39.260 39.000 -0.077 0.000 1.339 150 F HN 0.020 nan 8.300 nan 0.000 0.552 151 L N 4.187 125.400 121.223 -0.015 0.000 2.260 151 L HA 0.214 4.554 4.340 -0.000 0.000 0.289 151 L C 0.592 177.464 176.870 0.003 0.000 1.057 151 L CA -0.428 54.390 54.840 -0.037 0.000 0.811 151 L CB 0.408 42.412 42.059 -0.091 0.000 1.184 151 L HN 0.542 nan 8.230 nan 0.000 0.429 152 N N 2.515 121.228 118.700 0.021 0.000 2.454 152 N HA 0.029 4.769 4.740 -0.000 0.000 0.260 152 N C 0.570 176.128 175.510 0.080 0.000 1.218 152 N CA 0.057 53.152 53.050 0.075 0.000 0.904 152 N CB 1.573 40.123 38.487 0.104 0.000 1.065 152 N HN 0.553 nan 8.380 nan 0.000 0.462 153 V N 2.095 122.095 119.914 0.142 0.000 3.473 153 V HA 0.427 4.547 4.120 -0.000 0.000 0.253 153 V C 0.367 176.571 176.094 0.183 0.000 1.340 153 V CA -0.015 62.413 62.300 0.214 0.000 1.103 153 V CB 0.102 32.039 31.823 0.189 0.000 0.881 153 V HN 0.498 nan 8.190 nan 0.000 0.451 154 L N 1.446 122.764 121.223 0.158 0.000 2.482 154 L HA 0.688 5.028 4.340 -0.000 0.000 0.263 154 L C -1.902 175.091 176.870 0.206 0.000 0.957 154 L CA -0.331 54.575 54.840 0.109 0.000 0.836 154 L CB 2.377 44.424 42.059 -0.021 0.000 1.324 154 L HN 0.171 nan 8.230 nan 0.000 0.406 155 N N 2.579 121.371 118.700 0.153 0.000 2.314 155 N HA 0.681 5.421 4.740 -0.000 0.000 0.304 155 N C -0.426 175.184 175.510 0.166 0.000 1.073 155 N CA -0.247 52.919 53.050 0.194 0.000 0.822 155 N CB 2.343 40.917 38.487 0.146 0.000 1.280 155 N HN 0.813 nan 8.380 nan 0.000 0.489 156 G N -0.911 108.031 108.800 0.237 0.000 3.212 156 G HA2 0.727 4.687 3.960 -0.000 0.000 0.188 156 G HA3 0.727 4.687 3.960 -0.000 0.000 0.188 156 G C 0.177 175.191 174.900 0.191 0.000 1.254 156 G CA -0.134 45.081 45.100 0.192 0.000 0.957 156 G HN 0.756 nan 8.290 nan 0.000 0.596 157 G N -0.948 107.983 108.800 0.218 0.000 2.593 157 G HA2 0.005 3.965 3.960 -0.000 0.000 0.237 157 G HA3 0.005 3.965 3.960 -0.000 0.000 0.237 157 G C 1.486 176.522 174.900 0.227 0.000 1.312 157 G CA 1.061 46.350 45.100 0.315 0.000 0.896 157 G HN 1.975 nan 8.290 nan 0.000 0.574 158 S N -1.217 114.635 115.700 0.254 0.000 2.447 158 S HA -0.067 4.403 4.470 -0.000 0.000 0.233 158 S C 1.427 175.938 174.600 -0.149 0.000 1.006 158 S CA 2.043 60.277 58.200 0.056 0.000 0.957 158 S CB -0.183 63.020 63.200 0.006 0.000 0.773 158 S HN 0.791 nan 8.310 nan 0.000 0.507 159 H N 0.940 120.067 119.070 0.095 0.000 2.542 159 H HA 0.676 5.231 4.556 -0.000 0.000 0.283 159 H C 0.424 175.774 175.328 0.036 0.000 1.059 159 H CA 0.173 56.254 56.048 0.055 0.000 1.162 159 H CB 0.257 30.052 29.762 0.055 0.000 1.539 159 H HN 0.558 nan 8.280 nan 0.000 0.543 160 A N 0.085 122.975 122.820 0.115 0.000 2.380 160 A HA 0.663 4.983 4.320 -0.000 0.000 0.315 160 A C 0.827 178.420 177.584 0.014 0.000 1.101 160 A CA -0.194 51.880 52.037 0.063 0.000 0.771 160 A CB 1.023 20.058 19.000 0.058 0.000 1.287 160 A HN 0.268 nan 8.150 nan 0.000 0.436 161 G N -0.462 108.339 108.800 0.002 0.000 2.653 161 G HA2 0.589 4.549 3.960 -0.000 0.000 0.265 161 G HA3 0.589 4.549 3.960 -0.000 0.000 0.265 161 G C 0.770 175.653 174.900 -0.028 0.000 1.237 161 G CA 0.537 45.628 45.100 -0.015 0.000 0.946 161 G HN 2.366 nan 8.290 nan 0.000 0.522 162 G N -1.742 107.040 108.800 -0.030 0.000 2.855 162 G HA2 0.290 4.250 3.960 -0.000 0.000 0.352 162 G HA3 0.290 4.250 3.960 -0.000 0.000 0.352 162 G C 0.882 175.747 174.900 -0.057 0.000 1.415 162 G CA 0.395 45.477 45.100 -0.030 0.000 0.871 162 G HN 1.829 nan 8.290 nan 0.000 0.543 163 A N -0.712 122.079 122.820 -0.047 0.000 2.238 163 A HA 0.578 4.897 4.320 -0.000 0.000 0.210 163 A C 1.372 178.926 177.584 -0.051 0.000 1.179 163 A CA 1.238 53.233 52.037 -0.069 0.000 0.827 163 A CB 0.012 18.984 19.000 -0.047 0.000 0.856 163 A HN 1.994 nan 8.150 nan 0.000 0.488 164 L N 0.482 121.696 121.223 -0.014 0.000 2.584 164 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 164 L C 1.222 178.151 176.870 0.099 0.000 1.195 164 L CA 0.647 55.510 54.840 0.039 0.000 0.920 164 L CB 0.515 42.601 42.059 0.045 0.000 1.173 164 L HN 0.213 nan 8.230 nan 0.000 0.489 165 A N 6.038 128.927 122.820 0.115 0.000 1.943 165 A HA 0.232 4.552 4.320 -0.000 0.000 0.213 165 A C 0.903 178.661 177.584 0.290 0.000 1.181 165 A CA 0.134 52.314 52.037 0.238 0.000 0.653 165 A CB -0.383 18.534 19.000 -0.138 0.000 0.833 165 A HN 0.654 nan 8.150 nan 0.000 0.451 166 L N 0.213 121.564 121.223 0.213 0.000 2.456 166 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 166 L C 1.472 178.439 176.870 0.162 0.000 1.189 166 L CA -0.088 54.855 54.840 0.172 0.000 0.846 166 L CB 0.554 42.631 42.059 0.029 0.000 1.111 166 L HN 0.380 nan 8.230 nan 0.000 0.475 167 K N 1.645 122.070 120.400 0.042 0.000 2.099 167 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 167 K C -0.006 176.625 176.600 0.050 0.000 1.047 167 K CA 0.676 57.008 56.287 0.075 0.000 0.963 167 K CB 0.467 32.996 32.500 0.048 0.000 0.759 167 K HN 0.639 nan 8.250 nan 0.000 0.451 168 E N -0.101 120.024 120.200 -0.124 0.000 2.234 168 E HA 0.260 4.609 4.350 -0.000 0.000 0.266 168 E C -1.504 174.922 176.600 -0.291 0.000 0.877 168 E CA -0.640 55.726 56.400 -0.056 0.000 0.758 168 E CB 1.740 31.432 29.700 -0.014 0.000 1.170 168 E HN 0.006 nan 8.360 nan 0.000 0.415 169 F N 2.604 122.567 119.950 0.023 0.000 2.426 169 F HA 0.472 4.998 4.527 -0.000 0.000 0.348 169 F C 0.091 175.904 175.800 0.022 0.000 1.124 169 F CA -0.596 57.407 58.000 0.005 0.000 1.008 169 F CB 1.178 40.164 39.000 -0.023 0.000 1.139 169 F HN 0.188 nan 8.300 nan 0.000 0.452 170 M N 4.950 124.631 119.600 0.135 0.000 2.535 170 M HA 0.588 5.067 4.480 -0.000 0.000 0.314 170 M C -0.715 175.600 176.300 0.025 0.000 1.153 170 M CA -0.882 54.473 55.300 0.092 0.000 0.924 170 M CB 2.730 35.411 32.600 0.135 0.000 1.710 170 M HN 0.497 nan 8.290 nan 0.000 0.451 171 I N -0.047 120.501 120.570 -0.036 0.000 2.437 171 I HA 0.923 5.093 4.170 -0.000 0.000 0.298 171 I C -0.663 175.270 176.117 -0.307 0.000 0.984 171 I CA -0.709 60.517 61.300 -0.124 0.000 1.214 171 I CB 1.742 39.703 38.000 -0.065 0.000 1.365 171 I HN 0.690 nan 8.210 nan 0.000 0.469 172 A N 5.895 128.435 122.820 -0.468 0.000 2.340 172 A HA 0.722 5.042 4.320 -0.000 0.000 0.297 172 A C -2.655 174.678 177.584 -0.419 0.000 1.195 172 A CA -1.564 50.022 52.037 -0.752 0.000 0.769 172 A CB 0.771 18.778 19.000 -1.655 0.000 1.163 172 A HN 0.608 nan 8.150 nan 0.000 0.472 173 P HA 0.105 nan 4.420 nan 0.000 0.230 173 P C 1.171 178.477 177.300 0.010 0.000 1.791 173 P CA 0.178 63.206 63.100 -0.119 0.000 1.020 173 P CB -0.069 31.552 31.700 -0.131 0.000 1.977 174 T N -2.859 111.654 114.554 -0.069 0.000 3.007 174 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 174 T C 1.889 176.663 174.700 0.123 0.000 1.107 174 T CA 1.251 63.352 62.100 0.002 0.000 1.118 174 T CB -0.669 68.176 68.868 -0.039 0.000 0.889 174 T HN 0.247 nan 8.240 nan 0.000 0.506 175 G N 0.817 109.674 108.800 0.096 0.000 2.838 175 G HA2 0.503 4.463 3.960 -0.000 0.000 0.210 175 G HA3 0.503 4.463 3.960 -0.000 0.000 0.210 175 G C 0.652 175.622 174.900 0.116 0.000 1.153 175 G CA 0.050 45.210 45.100 0.100 0.000 0.778 175 G HN 0.826 nan 8.290 nan 0.000 0.539 176 A N -0.345 122.556 122.820 0.135 0.000 2.448 176 A HA 0.549 4.868 4.320 -0.000 0.000 0.239 176 A C 1.588 179.235 177.584 0.104 0.000 1.080 176 A CA 0.858 52.908 52.037 0.022 0.000 0.779 176 A CB 0.450 19.338 19.000 -0.186 0.000 1.026 176 A HN 0.501 nan 8.150 nan 0.000 0.499 177 K N 0.054 120.423 120.400 -0.051 0.000 2.308 177 K HA 0.344 4.663 4.320 -0.000 0.000 0.197 177 K C 0.820 177.373 176.600 -0.078 0.000 1.049 177 K CA 1.613 57.918 56.287 0.030 0.000 0.991 177 K CB -0.469 32.040 32.500 0.016 0.000 0.836 177 K HN 1.382 nan 8.250 nan 0.000 0.500 178 T N -4.575 109.736 114.554 -0.405 0.000 2.901 178 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 178 T C 0.472 174.589 174.700 -0.972 0.000 1.084 178 T CA -0.407 61.414 62.100 -0.465 0.000 1.008 178 T CB 1.188 69.934 68.868 -0.203 0.000 1.170 178 T HN 0.118 nan 8.240 nan 0.000 0.509 179 F N 1.603 121.120 119.950 -0.721 0.000 2.146 179 F HA 0.169 4.696 4.527 -0.000 0.000 0.298 179 F C 2.527 178.136 175.800 -0.319 0.000 1.096 179 F CA 1.673 59.369 58.000 -0.506 0.000 1.275 179 F CB -0.856 38.095 39.000 -0.082 0.000 1.008 179 F HN 0.795 nan 8.300 nan 0.000 0.480 180 A N 0.289 122.973 122.820 -0.227 0.000 1.873 180 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 180 A C 2.288 179.670 177.584 -0.336 0.000 1.193 180 A CA 2.095 53.992 52.037 -0.234 0.000 0.629 180 A CB -1.260 17.687 19.000 -0.087 0.000 0.826 180 A HN 0.594 nan 8.150 nan 0.000 0.447 181 E N -0.189 119.811 120.200 -0.334 0.000 2.058 181 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 181 E C 2.178 178.545 176.600 -0.388 0.000 0.997 181 E CA 1.196 57.410 56.400 -0.310 0.000 0.801 181 E CB -0.315 29.226 29.700 -0.265 0.000 0.746 181 E HN 0.527 nan 8.360 nan 0.000 0.450 182 A N 1.238 123.736 122.820 -0.537 0.000 1.892 182 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 182 A C 2.171 179.487 177.584 -0.448 0.000 1.188 182 A CA 1.607 53.363 52.037 -0.469 0.000 0.631 182 A CB -0.812 17.913 19.000 -0.458 0.000 0.822 182 A HN 0.399 nan 8.150 nan 0.000 0.447 183 L N -0.230 120.631 121.223 -0.604 0.000 2.083 183 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 183 L C 2.466 179.172 176.870 -0.274 0.000 1.083 183 L CA 2.366 56.928 54.840 -0.462 0.000 0.752 183 L CB -0.716 41.022 42.059 -0.536 0.000 0.899 183 L HN 0.528 nan 8.230 nan 0.000 0.433 184 R N 0.179 120.529 120.500 -0.251 0.000 2.061 184 R HA -0.161 4.179 4.340 -0.000 0.000 0.230 184 R C 2.461 178.675 176.300 -0.143 0.000 1.140 184 R CA 2.215 58.226 56.100 -0.148 0.000 0.940 184 R CB -0.586 29.642 30.300 -0.119 0.000 0.839 184 R HN 0.594 nan 8.270 nan 0.000 0.429 185 I N -1.467 118.948 120.570 -0.258 0.000 2.286 185 I HA -0.036 4.133 4.170 -0.000 0.000 0.248 185 I C 2.073 178.040 176.117 -0.250 0.000 1.115 185 I CA 1.920 62.968 61.300 -0.420 0.000 1.392 185 I CB -0.917 36.537 38.000 -0.909 0.000 1.065 185 I HN 0.235 nan 8.210 nan 0.000 0.418 186 G N 1.625 110.298 108.800 -0.213 0.000 2.421 186 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.216 186 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.216 186 G C 1.815 176.671 174.900 -0.073 0.000 1.171 186 G CA 1.371 46.390 45.100 -0.136 0.000 0.775 186 G HN 0.611 nan 8.290 nan 0.000 0.543 187 S N 0.776 116.425 115.700 -0.086 0.000 2.383 187 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 187 S C 2.011 176.633 174.600 0.036 0.000 1.030 187 S CA 1.886 60.050 58.200 -0.060 0.000 1.002 187 S CB -0.416 62.787 63.200 0.006 0.000 0.829 187 S HN 0.592 nan 8.310 nan 0.000 0.467 188 E N 0.622 120.891 120.200 0.116 0.000 2.106 188 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 188 E C 2.180 178.880 176.600 0.165 0.000 0.984 188 E CA 1.162 57.684 56.400 0.203 0.000 0.806 188 E CB -0.289 29.562 29.700 0.251 0.000 0.750 188 E HN 0.426 nan 8.360 nan 0.000 0.458 189 V N 0.796 120.796 119.914 0.144 0.000 2.358 189 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 189 V C 2.019 178.150 176.094 0.063 0.000 1.047 189 V CA 1.756 64.123 62.300 0.111 0.000 1.035 189 V CB -0.563 31.319 31.823 0.099 0.000 0.658 189 V HN 0.302 nan 8.190 nan 0.000 0.452 190 Y N 1.285 121.529 120.300 -0.093 0.000 2.081 190 Y HA -0.353 4.197 4.550 -0.001 0.000 0.280 190 Y C 2.563 178.379 175.900 -0.140 0.000 1.163 190 Y CA 2.359 60.361 58.100 -0.164 0.000 1.135 190 Y CB -0.641 37.648 38.460 -0.284 0.000 0.970 190 Y HN 0.447 nan 8.280 nan 0.000 0.498 191 H N -0.878 118.179 119.070 -0.020 0.000 2.321 191 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 191 H C 2.237 177.501 175.328 -0.106 0.000 1.087 191 H CA 1.263 57.252 56.048 -0.099 0.000 1.319 191 H CB -0.247 29.524 29.762 0.015 0.000 1.379 191 H HN 0.358 nan 8.280 nan 0.000 0.501 192 N N 0.662 119.400 118.700 0.062 0.000 2.094 192 N HA -0.166 4.573 4.740 -0.000 0.000 0.191 192 N C 1.982 177.472 175.510 -0.033 0.000 1.023 192 N CA 1.200 54.258 53.050 0.014 0.000 0.857 192 N CB -0.227 38.274 38.487 0.023 0.000 1.013 192 N HN 0.218 nan 8.380 nan 0.000 0.426 193 L N 1.899 123.076 121.223 -0.077 0.000 2.056 193 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 193 L C 2.242 179.025 176.870 -0.145 0.000 1.078 193 L CA 1.746 56.523 54.840 -0.105 0.000 0.749 193 L CB -0.489 41.500 42.059 -0.117 0.000 0.901 193 L HN -0.025 nan 8.230 nan 0.000 0.433 194 K N -0.703 119.549 120.400 -0.246 0.000 2.057 194 K HA -0.186 4.133 4.320 -0.000 0.000 0.207 194 K C 2.312 178.861 176.600 -0.085 0.000 1.049 194 K CA 1.588 57.750 56.287 -0.207 0.000 0.931 194 K CB -0.196 32.140 32.500 -0.273 0.000 0.714 194 K HN 0.646 nan 8.250 nan 0.000 0.440 195 S N 0.865 116.531 115.700 -0.057 0.000 2.353 195 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 195 S C 2.030 176.625 174.600 -0.008 0.000 1.035 195 S CA 1.250 59.437 58.200 -0.022 0.000 1.025 195 S CB -0.711 62.482 63.200 -0.012 0.000 0.902 195 S HN 0.297 nan 8.310 nan 0.000 0.440 196 L N 1.186 122.406 121.223 -0.006 0.000 2.046 196 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 196 L C 3.094 180.001 176.870 0.062 0.000 1.077 196 L CA 1.727 56.577 54.840 0.017 0.000 0.747 196 L CB -1.288 40.779 42.059 0.014 0.000 0.896 196 L HN 0.406 nan 8.230 nan 0.000 0.432 197 T N -0.315 114.272 114.554 0.055 0.000 2.684 197 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 197 T C 2.336 177.126 174.700 0.151 0.000 1.036 197 T CA 2.054 64.226 62.100 0.121 0.000 1.148 197 T CB -0.309 68.544 68.868 -0.024 0.000 0.863 197 T HN 0.465 nan 8.240 nan 0.000 0.436 198 K N 1.728 122.164 120.400 0.060 0.000 2.057 198 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 198 K C 2.044 178.670 176.600 0.044 0.000 1.049 198 K CA 2.012 58.328 56.287 0.048 0.000 0.931 198 K CB -0.759 31.751 32.500 0.017 0.000 0.714 198 K HN 0.476 nan 8.250 nan 0.000 0.440 199 K N -0.187 120.230 120.400 0.028 0.000 2.147 199 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 199 K C 2.391 178.978 176.600 -0.021 0.000 1.049 199 K CA 1.460 57.749 56.287 0.002 0.000 0.936 199 K CB -0.004 32.493 32.500 -0.004 0.000 0.722 199 K HN 0.408 nan 8.250 nan 0.000 0.446 200 R N -1.752 118.739 120.500 -0.015 0.000 2.175 200 R HA 0.033 4.373 4.340 -0.000 0.000 0.202 200 R C 1.088 177.196 176.300 -0.320 0.000 1.018 200 R CA 0.697 56.690 56.100 -0.178 0.000 1.029 200 R CB 0.295 30.451 30.300 -0.240 0.000 0.959 200 R HN 0.224 nan 8.270 nan 0.000 0.480 201 Y N -0.410 119.875 120.300 -0.026 0.000 2.453 201 Y HA 0.351 4.900 4.550 -0.001 0.000 0.247 201 Y C 0.786 176.675 175.900 -0.018 0.000 1.124 201 Y CA 0.213 58.299 58.100 -0.023 0.000 1.243 201 Y CB 1.665 40.109 38.460 -0.028 0.000 1.213 201 Y HN 0.152 nan 8.280 nan 0.000 0.523 202 G N 0.121 108.979 108.800 0.096 0.000 2.570 202 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 202 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 202 G C 0.623 175.554 174.900 0.050 0.000 1.257 202 G CA -0.514 44.619 45.100 0.054 0.000 0.846 202 G HN 0.341 nan 8.290 nan 0.000 0.627 203 A N 0.240 123.078 122.820 0.029 0.000 1.948 203 A HA 0.067 4.386 4.320 -0.000 0.000 0.220 203 A C 2.816 180.414 177.584 0.023 0.000 1.177 203 A CA 3.432 55.482 52.037 0.022 0.000 0.636 203 A CB -0.802 18.206 19.000 0.014 0.000 0.815 203 A HN 2.414 nan 8.150 nan 0.000 0.449 204 S N -0.264 115.452 115.700 0.026 0.000 2.453 204 S HA 0.185 4.655 4.470 -0.000 0.000 0.231 204 S C 1.885 176.498 174.600 0.021 0.000 1.005 204 S CA 1.008 59.222 58.200 0.023 0.000 0.949 204 S CB -0.498 62.716 63.200 0.023 0.000 0.774 204 S HN 0.920 nan 8.310 nan 0.000 0.510 205 A N 1.377 124.216 122.820 0.031 0.000 2.172 205 A HA 0.297 4.617 4.320 -0.000 0.000 0.216 205 A C 2.154 179.730 177.584 -0.013 0.000 1.154 205 A CA 1.063 53.107 52.037 0.012 0.000 0.701 205 A CB -1.351 17.686 19.000 0.062 0.000 0.789 205 A HN 0.651 nan 8.150 nan 0.000 0.465 206 G N -0.208 108.593 108.800 0.000 0.000 2.534 206 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 206 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 206 G C 0.590 175.493 174.900 0.004 0.000 1.128 206 G CA -0.133 44.960 45.100 -0.011 0.000 0.784 206 G HN 0.476 nan 8.290 nan 0.000 0.542 207 N N 0.150 118.859 118.700 0.014 0.000 2.381 207 N HA 0.268 5.008 4.740 -0.000 0.000 0.241 207 N C 0.252 175.785 175.510 0.037 0.000 1.279 207 N CA 0.026 53.092 53.050 0.028 0.000 0.896 207 N CB 1.591 40.092 38.487 0.023 0.000 1.118 207 N HN 0.148 nan 8.380 nan 0.000 0.438 208 V N -2.084 117.864 119.914 0.056 0.000 2.667 208 V HA 0.884 5.004 4.120 -0.000 0.000 0.308 208 V C 0.846 176.975 176.094 0.060 0.000 1.048 208 V CA -0.901 61.446 62.300 0.077 0.000 0.928 208 V CB 1.196 33.091 31.823 0.119 0.000 1.004 208 V HN 0.587 nan 8.190 nan 0.000 0.444 209 G N 1.237 110.077 108.800 0.067 0.000 2.535 209 G HA2 0.294 4.253 3.960 -0.000 0.000 0.282 209 G HA3 0.294 4.253 3.960 -0.000 0.000 0.282 209 G C 0.232 175.163 174.900 0.052 0.000 1.350 209 G CA 0.025 45.159 45.100 0.057 0.000 1.039 209 G HN 0.777 nan 8.290 nan 0.000 0.509 210 D N -0.357 120.065 120.400 0.037 0.000 2.149 210 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 210 D C 2.016 178.339 176.300 0.038 0.000 0.990 210 D CA 1.190 55.202 54.000 0.020 0.000 0.839 210 D CB 0.169 40.964 40.800 -0.007 0.000 0.948 210 D HN 0.616 nan 8.370 nan 0.000 0.460 211 E N -0.993 119.245 120.200 0.064 0.000 2.479 211 E HA 0.252 4.602 4.350 -0.000 0.000 0.193 211 E C 1.112 177.765 176.600 0.088 0.000 1.049 211 E CA 0.297 56.760 56.400 0.105 0.000 0.870 211 E CB 0.725 30.519 29.700 0.156 0.000 0.944 211 E HN 0.280 nan 8.360 nan 0.000 0.492 212 G N 1.124 109.969 108.800 0.074 0.000 2.194 212 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.236 212 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.236 212 G C 0.553 175.532 174.900 0.132 0.000 0.987 212 G CA -0.269 44.869 45.100 0.062 0.000 0.635 212 G HN 0.468 nan 8.290 nan 0.000 0.520 213 G N -0.395 108.494 108.800 0.148 0.000 2.537 213 G HA2 0.666 4.626 3.960 -0.000 0.000 0.273 213 G HA3 0.666 4.626 3.960 -0.000 0.000 0.273 213 G C 0.662 175.667 174.900 0.175 0.000 1.189 213 G CA 0.328 45.565 45.100 0.228 0.000 0.881 213 G HN 1.580 nan 8.290 nan 0.000 0.535 214 V N -1.693 118.296 119.914 0.126 0.000 2.811 214 V HA 0.641 4.760 4.120 -0.000 0.000 0.302 214 V C 0.590 176.680 176.094 -0.007 0.000 1.063 214 V CA -0.085 62.225 62.300 0.016 0.000 1.088 214 V CB 1.190 32.969 31.823 -0.073 0.000 0.982 214 V HN 1.378 nan 8.190 nan 0.000 0.485 215 A N 4.778 127.580 122.820 -0.030 0.000 3.370 215 A HA 0.680 4.999 4.320 -0.000 0.000 0.295 215 A C -1.935 175.600 177.584 -0.082 0.000 1.030 215 A CA -0.994 51.022 52.037 -0.036 0.000 0.883 215 A CB -0.194 18.820 19.000 0.023 0.000 1.191 215 A HN 0.845 nan 8.150 nan 0.000 0.507 216 P HA 0.274 nan 4.420 nan 0.000 0.282 216 P C -0.674 176.518 177.300 -0.181 0.000 1.287 216 P CA -0.628 62.341 63.100 -0.219 0.000 0.792 216 P CB 0.581 31.984 31.700 -0.495 0.000 1.163 217 N N 0.050 118.697 118.700 -0.089 0.000 2.400 217 N HA 0.218 4.958 4.740 -0.000 0.000 0.267 217 N C -0.292 175.209 175.510 -0.016 0.000 1.208 217 N CA 0.409 53.447 53.050 -0.021 0.000 0.951 217 N CB -0.891 37.624 38.487 0.046 0.000 1.227 217 N HN 0.313 nan 8.380 nan 0.000 0.488 218 I N 1.459 121.989 120.570 -0.067 0.000 2.530 218 I HA 0.187 4.357 4.170 -0.000 0.000 0.297 218 I C 1.112 177.218 176.117 -0.019 0.000 1.011 218 I CA -0.620 60.649 61.300 -0.052 0.000 1.107 218 I CB 2.162 40.063 38.000 -0.165 0.000 1.285 218 I HN 0.257 nan 8.210 nan 0.000 0.436 219 Q N 2.162 121.964 119.800 0.004 0.000 2.390 219 Q HA 0.142 4.482 4.340 -0.000 0.000 0.216 219 Q C 0.389 176.387 176.000 -0.004 0.000 0.916 219 Q CA 0.700 56.504 55.803 0.002 0.000 0.911 219 Q CB 0.770 29.517 28.738 0.014 0.000 1.035 219 Q HN 0.831 nan 8.270 nan 0.000 0.541 220 T N -4.010 110.540 114.554 -0.007 0.000 2.896 220 T HA 0.675 5.025 4.350 -0.000 0.000 0.297 220 T C 0.671 175.362 174.700 -0.015 0.000 1.108 220 T CA -0.212 61.889 62.100 0.002 0.000 1.004 220 T CB 1.785 70.662 68.868 0.014 0.000 1.159 220 T HN -0.026 nan 8.240 nan 0.000 0.499 221 A N 0.601 123.445 122.820 0.040 0.000 1.972 221 A HA 0.015 4.334 4.320 -0.000 0.000 0.219 221 A C 1.953 179.489 177.584 -0.080 0.000 1.169 221 A CA 1.655 53.735 52.037 0.071 0.000 0.635 221 A CB -0.978 18.161 19.000 0.232 0.000 0.810 221 A HN 0.920 nan 8.150 nan 0.000 0.446 222 E N -0.324 119.869 120.200 -0.011 0.000 2.106 222 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 222 E C 1.940 178.528 176.600 -0.020 0.000 0.984 222 E CA 1.209 57.626 56.400 0.029 0.000 0.806 222 E CB -0.141 29.658 29.700 0.164 0.000 0.750 222 E HN 0.802 nan 8.360 nan 0.000 0.458 223 E N 0.296 120.474 120.200 -0.036 0.000 2.031 223 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 223 E C 2.012 178.537 176.600 -0.126 0.000 0.994 223 E CA 1.101 57.481 56.400 -0.033 0.000 0.800 223 E CB -0.114 29.584 29.700 -0.003 0.000 0.752 223 E HN 0.254 nan 8.360 nan 0.000 0.447 224 A N 0.956 123.603 122.820 -0.288 0.000 1.883 224 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 224 A C 2.219 179.524 177.584 -0.466 0.000 1.186 224 A CA 1.377 53.099 52.037 -0.524 0.000 0.624 224 A CB -0.730 17.609 19.000 -1.101 0.000 0.822 224 A HN 0.315 nan 8.150 nan 0.000 0.444 225 L N -0.820 120.121 121.223 -0.469 0.000 2.093 225 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 225 L C 2.122 178.872 176.870 -0.200 0.000 1.085 225 L CA 1.308 55.863 54.840 -0.475 0.000 0.755 225 L CB -0.555 40.838 42.059 -1.111 0.000 0.904 225 L HN 0.269 nan 8.230 nan 0.000 0.435 226 D N -0.081 120.292 120.400 -0.044 0.000 2.117 226 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 226 D C 2.015 178.337 176.300 0.036 0.000 0.987 226 D CA 1.009 55.073 54.000 0.106 0.000 0.829 226 D CB -0.115 40.754 40.800 0.115 0.000 0.961 226 D HN 0.084 nan 8.370 nan 0.000 0.460 227 L N 0.488 121.700 121.223 -0.018 0.000 2.017 227 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 227 L C 2.043 178.899 176.870 -0.024 0.000 1.073 227 L CA 1.448 56.281 54.840 -0.012 0.000 0.745 227 L CB -0.408 41.634 42.059 -0.028 0.000 0.894 227 L HN 0.030 nan 8.230 nan 0.000 0.432 228 I N -1.859 118.676 120.570 -0.058 0.000 2.252 228 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 228 I C 2.331 178.457 176.117 0.015 0.000 1.102 228 I CA 0.934 62.217 61.300 -0.028 0.000 1.385 228 I CB -0.323 37.654 38.000 -0.037 0.000 1.064 228 I HN 0.054 nan 8.210 nan 0.000 0.414 229 V N 0.866 120.804 119.914 0.041 0.000 2.332 229 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 229 V C 2.076 178.201 176.094 0.051 0.000 1.055 229 V CA 2.075 64.420 62.300 0.076 0.000 1.038 229 V CB -0.670 31.240 31.823 0.144 0.000 0.651 229 V HN 0.411 nan 8.190 nan 0.000 0.450 230 D N 0.289 120.714 120.400 0.041 0.000 2.123 230 D HA -0.158 4.481 4.640 -0.000 0.000 0.196 230 D C 2.191 178.500 176.300 0.016 0.000 0.992 230 D CA 1.730 55.746 54.000 0.026 0.000 0.833 230 D CB -0.334 40.480 40.800 0.023 0.000 0.954 230 D HN 0.471 nan 8.370 nan 0.000 0.455 231 A N 0.535 123.364 122.820 0.014 0.000 1.873 231 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 231 A C 2.398 179.995 177.584 0.022 0.000 1.186 231 A CA 0.783 52.826 52.037 0.010 0.000 0.616 231 A CB -0.711 18.291 19.000 0.003 0.000 0.823 231 A HN 0.180 nan 8.150 nan 0.000 0.442 232 I N -0.418 120.174 120.570 0.035 0.000 2.151 232 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 232 I C 2.597 178.730 176.117 0.027 0.000 1.080 232 I CA 2.084 63.416 61.300 0.054 0.000 1.339 232 I CB -0.248 37.787 38.000 0.058 0.000 1.039 232 I HN 0.364 nan 8.210 nan 0.000 0.409 233 K N 0.911 121.320 120.400 0.015 0.000 2.057 233 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 233 K C 2.225 178.805 176.600 -0.033 0.000 1.050 233 K CA 1.406 57.690 56.287 -0.004 0.000 0.935 233 K CB -0.133 32.370 32.500 0.006 0.000 0.715 233 K HN 0.306 nan 8.250 nan 0.000 0.439 234 A N 0.847 123.652 122.820 -0.025 0.000 1.940 234 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 234 A C 2.174 179.716 177.584 -0.070 0.000 1.176 234 A CA 1.900 53.916 52.037 -0.036 0.000 0.631 234 A CB -0.612 18.377 19.000 -0.018 0.000 0.814 234 A HN 0.451 nan 8.150 nan 0.000 0.446 235 A N -1.984 120.784 122.820 -0.086 0.000 2.208 235 A HA 0.401 4.721 4.320 -0.000 0.000 0.209 235 A C 1.820 179.120 177.584 -0.473 0.000 1.161 235 A CA 1.236 53.165 52.037 -0.180 0.000 0.782 235 A CB -0.873 18.110 19.000 -0.029 0.000 0.816 235 A HN 1.924 nan 8.150 nan 0.000 0.477 236 G N -1.360 107.259 108.800 -0.302 0.000 2.147 236 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 236 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 236 G C 0.281 175.020 174.900 -0.268 0.000 1.005 236 G CA 0.469 45.400 45.100 -0.281 0.000 0.713 236 G HN 0.647 nan 8.290 nan 0.000 0.515 237 H N 0.284 119.354 119.070 -0.001 0.000 2.486 237 H HA 0.226 4.782 4.556 -0.001 0.000 0.284 237 H C 0.486 175.813 175.328 -0.002 0.000 1.103 237 H CA -0.434 55.610 56.048 -0.005 0.000 1.089 237 H CB 0.331 30.085 29.762 -0.013 0.000 1.603 237 H HN 0.338 nan 8.280 nan 0.000 0.557 238 D N 0.511 120.960 120.400 0.082 0.000 2.506 238 D HA 0.110 4.750 4.640 -0.000 0.000 0.234 238 D C 1.578 177.913 176.300 0.059 0.000 1.143 238 D CA 1.689 55.724 54.000 0.059 0.000 0.871 238 D CB 0.673 41.495 40.800 0.036 0.000 1.190 238 D HN 0.592 nan 8.370 nan 0.000 0.459 239 G N 1.310 110.140 108.800 0.049 0.000 2.184 239 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 239 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 239 G C 1.019 175.947 174.900 0.046 0.000 0.975 239 G CA 1.221 46.348 45.100 0.045 0.000 0.642 239 G HN 0.795 nan 8.290 nan 0.000 0.536 240 K N -0.724 119.705 120.400 0.048 0.000 2.412 240 K HA 0.743 5.063 4.320 -0.000 0.000 0.202 240 K C 0.603 177.198 176.600 -0.008 0.000 1.102 240 K CA 1.077 57.380 56.287 0.026 0.000 1.027 240 K CB 0.560 33.067 32.500 0.012 0.000 0.931 240 K HN 0.537 nan 8.250 nan 0.000 0.557 241 I N 2.258 122.826 120.570 -0.003 0.000 2.406 241 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 241 I C -0.681 175.411 176.117 -0.041 0.000 0.999 241 I CA -1.195 60.079 61.300 -0.043 0.000 1.124 241 I CB 1.562 39.551 38.000 -0.018 0.000 1.289 241 I HN 0.026 nan 8.210 nan 0.000 0.441 242 K N 5.716 126.055 120.400 -0.103 0.000 2.316 242 K HA 0.710 5.030 4.320 -0.000 0.000 0.234 242 K C -0.582 175.952 176.600 -0.110 0.000 1.054 242 K CA -0.861 55.379 56.287 -0.079 0.000 0.879 242 K CB 2.242 34.696 32.500 -0.078 0.000 1.252 242 K HN 0.412 nan 8.250 nan 0.000 0.471 243 I N 0.090 120.635 120.570 -0.042 0.000 2.569 243 I HA 0.440 4.609 4.170 -0.000 0.000 0.296 243 I C 0.213 176.349 176.117 0.032 0.000 1.028 243 I CA -0.804 60.492 61.300 -0.006 0.000 1.082 243 I CB 2.270 40.307 38.000 0.062 0.000 1.264 243 I HN 0.564 nan 8.210 nan 0.000 0.429 244 G N 5.838 114.678 108.800 0.067 0.000 2.482 244 G HA2 0.799 4.758 3.960 -0.000 0.000 0.317 244 G HA3 0.799 4.758 3.960 -0.000 0.000 0.317 244 G C -1.189 173.720 174.900 0.015 0.000 1.241 244 G CA -0.540 44.649 45.100 0.148 0.000 0.967 244 G HN 0.406 nan 8.290 nan 0.000 0.482 245 L N 0.698 121.870 121.223 -0.085 0.000 2.341 245 L HA 0.552 4.892 4.340 -0.000 0.000 0.267 245 L C -1.176 175.552 176.870 -0.236 0.000 1.009 245 L CA -1.063 53.616 54.840 -0.269 0.000 0.819 245 L CB 2.562 44.394 42.059 -0.379 0.000 1.323 245 L HN 0.403 nan 8.230 nan 0.000 0.425 246 D N 0.056 120.292 120.400 -0.273 0.000 2.462 246 D HA 0.278 4.918 4.640 -0.000 0.000 0.245 246 D C 0.266 176.424 176.300 -0.238 0.000 1.122 246 D CA -0.472 53.405 54.000 -0.206 0.000 0.864 246 D CB 1.653 42.387 40.800 -0.110 0.000 1.098 246 D HN 0.502 nan 8.370 nan 0.000 0.541 247 C N 3.060 122.203 119.300 -0.261 0.000 2.446 247 C HA 0.303 4.762 4.460 -0.000 0.000 0.279 247 C C 1.654 176.573 174.990 -0.119 0.000 1.366 247 C CA 0.474 59.382 59.018 -0.184 0.000 1.763 247 C CB -1.331 26.243 27.740 -0.277 0.000 1.929 247 C HN 0.900 nan 8.230 nan 0.000 0.509 248 A N 1.403 124.110 122.820 -0.189 0.000 2.596 248 A HA -0.232 4.088 4.320 -0.000 0.000 0.300 248 A C 1.634 178.951 177.584 -0.446 0.000 1.495 248 A CA 0.953 52.862 52.037 -0.214 0.000 0.769 248 A CB -1.797 17.130 19.000 -0.121 0.000 1.047 248 A HN 1.035 nan 8.150 nan 0.000 0.436 249 S N -0.898 114.443 115.700 -0.598 0.000 2.442 249 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 249 S C 1.711 175.783 174.600 -0.881 0.000 1.007 249 S CA 1.437 58.922 58.200 -1.193 0.000 0.965 249 S CB -0.429 62.352 63.200 -0.698 0.000 0.773 249 S HN 1.026 nan 8.310 nan 0.000 0.504 250 S N 1.865 117.288 115.700 -0.461 0.000 2.440 250 S HA -0.083 4.386 4.470 -0.000 0.000 0.238 250 S C 1.630 176.035 174.600 -0.325 0.000 1.010 250 S CA 1.188 59.206 58.200 -0.302 0.000 0.972 250 S CB -0.340 62.742 63.200 -0.197 0.000 0.774 250 S HN 0.682 nan 8.310 nan 0.000 0.501 251 E N 0.058 119.976 120.200 -0.469 0.000 2.435 251 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 251 E C 0.580 176.787 176.600 -0.656 0.000 1.029 251 E CA 0.509 56.642 56.400 -0.445 0.000 0.865 251 E CB 0.097 29.581 29.700 -0.361 0.000 0.833 251 E HN 0.826 nan 8.360 nan 0.000 0.510 252 F N -2.293 117.312 119.950 -0.575 0.000 2.772 252 F HA 0.340 4.867 4.527 -0.001 0.000 0.316 252 F C -0.098 175.504 175.800 -0.331 0.000 1.114 252 F CA -1.122 56.510 58.000 -0.614 0.000 1.191 252 F CB -0.315 38.240 39.000 -0.741 0.000 1.065 252 F HN -0.253 nan 8.300 nan 0.000 0.534 253 F N 3.631 123.318 119.950 -0.438 0.000 2.411 253 F HA 0.620 5.146 4.527 -0.000 0.000 0.355 253 F C -0.338 175.226 175.800 -0.393 0.000 1.117 253 F CA -0.547 57.127 58.000 -0.543 0.000 1.139 253 F CB 0.610 39.266 39.000 -0.574 0.000 1.120 253 F HN -0.069 nan 8.300 nan 0.000 0.493 254 K N 4.956 124.817 120.400 -0.898 0.000 2.535 254 K HA 0.219 4.539 4.320 -0.000 0.000 0.250 254 K C -0.581 175.684 176.600 -0.559 0.000 0.948 254 K CA -0.763 55.154 56.287 -0.617 0.000 0.796 254 K CB 1.793 33.999 32.500 -0.490 0.000 1.216 254 K HN 0.644 nan 8.250 nan 0.000 0.432 255 D N 1.481 121.644 120.400 -0.394 0.000 3.077 255 D HA -0.202 4.438 4.640 -0.000 0.000 0.217 255 D C 0.603 176.737 176.300 -0.277 0.000 1.162 255 D CA 2.354 56.240 54.000 -0.190 0.000 0.943 255 D CB -0.768 40.052 40.800 0.033 0.000 1.122 255 D HN 1.044 nan 8.370 nan 0.000 0.413 256 G N -1.404 106.952 108.800 -0.741 0.000 2.184 256 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.206 256 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.206 256 G C 0.299 174.974 174.900 -0.376 0.000 0.995 256 G CA 0.356 45.174 45.100 -0.470 0.000 0.651 256 G HN 0.573 nan 8.290 nan 0.000 0.511 257 K N -1.123 118.918 120.400 -0.600 0.000 2.409 257 K HA 0.680 5.000 4.320 -0.000 0.000 0.252 257 K C -1.341 174.985 176.600 -0.456 0.000 1.036 257 K CA -1.016 55.149 56.287 -0.203 0.000 0.871 257 K CB 1.557 34.167 32.500 0.182 0.000 1.374 257 K HN 0.059 nan 8.250 nan 0.000 0.459 258 Y N 0.600 120.953 120.300 0.087 0.000 2.356 258 Y HA 0.148 4.697 4.550 -0.000 0.000 0.334 258 Y C -0.475 175.377 175.900 -0.079 0.000 0.958 258 Y CA -0.847 57.332 58.100 0.132 0.000 1.196 258 Y CB 1.198 39.852 38.460 0.323 0.000 1.137 258 Y HN 0.442 nan 8.280 nan 0.000 0.485 259 D N 4.213 124.467 120.400 -0.243 0.000 2.441 259 D HA 0.181 4.821 4.640 -0.000 0.000 0.221 259 D C 0.521 176.724 176.300 -0.162 0.000 1.156 259 D CA 0.086 53.805 54.000 -0.467 0.000 0.896 259 D CB 0.699 40.903 40.800 -0.993 0.000 1.028 259 D HN 0.634 nan 8.370 nan 0.000 0.509 260 L N 1.843 122.958 121.223 -0.179 0.000 2.291 260 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 260 L C 0.932 177.777 176.870 -0.042 0.000 1.120 260 L CA 0.637 55.315 54.840 -0.270 0.000 0.799 260 L CB 0.088 41.980 42.059 -0.278 0.000 0.925 260 L HN 0.264 nan 8.230 nan 0.000 0.446 261 D N -0.266 120.139 120.400 0.010 0.000 2.706 261 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 261 D C 1.475 177.785 176.300 0.017 0.000 1.231 261 D CA -0.141 53.864 54.000 0.007 0.000 0.828 261 D CB 0.133 40.959 40.800 0.044 0.000 1.015 261 D HN 0.247 nan 8.370 nan 0.000 0.484 262 F N 0.013 119.909 119.950 -0.090 0.000 2.333 262 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 262 F C 1.647 177.435 175.800 -0.020 0.000 1.083 262 F CA 0.764 58.724 58.000 -0.066 0.000 1.395 262 F CB -0.215 38.755 39.000 -0.048 0.000 1.056 262 F HN -0.169 nan 8.300 nan 0.000 0.529 263 K N 0.420 120.380 120.400 -0.734 0.000 2.044 263 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 263 K C 0.606 177.082 176.600 -0.207 0.000 1.049 263 K CA 0.601 56.575 56.287 -0.521 0.000 0.945 263 K CB -0.491 31.674 32.500 -0.558 0.000 0.724 263 K HN 0.109 nan 8.250 nan 0.000 0.440 264 N N 2.150 120.765 118.700 -0.142 0.000 2.332 264 N HA -0.056 4.684 4.740 -0.000 0.000 0.274 264 N C -2.107 173.404 175.510 0.002 0.000 1.351 264 N CA -0.768 52.254 53.050 -0.047 0.000 0.875 264 N CB 1.014 39.491 38.487 -0.016 0.000 1.140 264 N HN -0.054 nan 8.380 nan 0.000 0.489 265 P HA -0.002 nan 4.420 nan 0.000 0.223 265 P C -0.120 177.214 177.300 0.056 0.000 1.151 265 P CA 1.125 64.242 63.100 0.028 0.000 0.787 265 P CB 0.032 31.741 31.700 0.015 0.000 0.788 266 N N -0.769 117.963 118.700 0.053 0.000 2.976 266 N HA 0.531 5.271 4.740 -0.000 0.000 0.255 266 N C 0.128 175.690 175.510 0.087 0.000 1.312 266 N CA -0.069 53.017 53.050 0.061 0.000 0.897 266 N CB -0.556 37.951 38.487 0.033 0.000 1.184 266 N HN 0.175 nan 8.380 nan 0.000 0.497 267 S N -0.009 115.788 115.700 0.161 0.000 2.537 267 S HA 0.509 4.979 4.470 -0.000 0.000 0.275 267 S C -0.215 174.499 174.600 0.192 0.000 1.272 267 S CA -0.486 57.866 58.200 0.254 0.000 1.050 267 S CB 0.534 64.004 63.200 0.449 0.000 0.961 267 S HN 0.569 nan 8.310 nan 0.000 0.496 268 D N 2.052 122.520 120.400 0.113 0.000 2.317 268 D HA 0.480 5.120 4.640 -0.000 0.000 0.234 268 D C 1.324 177.462 176.300 -0.270 0.000 1.112 268 D CA -0.068 53.890 54.000 -0.070 0.000 0.840 268 D CB 1.215 41.997 40.800 -0.030 0.000 1.078 268 D HN 0.552 nan 8.370 nan 0.000 0.486 269 K N 1.696 121.696 120.400 -0.666 0.000 2.362 269 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 269 K C 1.810 178.168 176.600 -0.403 0.000 1.045 269 K CA 1.833 57.494 56.287 -1.044 0.000 0.936 269 K CB -0.693 31.262 32.500 -0.908 0.000 0.747 269 K HN 0.472 nan 8.250 nan 0.000 0.467 270 S N -0.314 115.261 115.700 -0.208 0.000 2.423 270 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 270 S C 2.177 176.784 174.600 0.013 0.000 1.014 270 S CA 1.419 59.574 58.200 -0.075 0.000 0.965 270 S CB 0.092 63.259 63.200 -0.054 0.000 0.785 270 S HN 0.867 nan 8.310 nan 0.000 0.495 271 K N -0.193 120.245 120.400 0.064 0.000 2.438 271 K HA 0.229 4.549 4.320 -0.000 0.000 0.205 271 K C -0.489 176.286 176.600 0.293 0.000 1.033 271 K CA -0.515 55.858 56.287 0.142 0.000 1.089 271 K CB -0.361 32.205 32.500 0.109 0.000 0.857 271 K HN 0.280 nan 8.250 nan 0.000 0.522 272 W N 0.924 122.242 121.300 0.030 0.000 2.251 272 W HA 0.449 5.109 4.660 -0.000 0.000 0.327 272 W C 0.253 176.817 176.519 0.075 0.000 1.361 272 W CA -1.108 56.267 57.345 0.051 0.000 1.234 272 W CB -0.190 29.283 29.460 0.021 0.000 1.212 272 W HN 0.157 nan 8.180 nan 0.000 0.557 273 L N 3.460 124.871 121.223 0.313 0.000 2.343 273 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 273 L C 1.236 178.307 176.870 0.336 0.000 1.056 273 L CA -0.918 54.074 54.840 0.253 0.000 0.804 273 L CB 0.702 42.858 42.059 0.162 0.000 1.203 273 L HN 0.427 nan 8.230 nan 0.000 0.440 274 T N -1.104 113.601 114.554 0.251 0.000 2.766 274 T HA 0.170 4.520 4.350 -0.000 0.000 0.295 274 T C 1.369 176.241 174.700 0.287 0.000 1.024 274 T CA -0.096 62.164 62.100 0.268 0.000 1.018 274 T CB 1.188 70.150 68.868 0.158 0.000 1.002 274 T HN 0.704 nan 8.240 nan 0.000 0.532 275 G N 1.141 110.107 108.800 0.278 0.000 2.514 275 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 275 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 275 G C -0.847 174.093 174.900 0.067 0.000 1.198 275 G CA 0.791 45.962 45.100 0.118 0.000 0.780 275 G HN 0.659 nan 8.290 nan 0.000 0.565 276 P HA -0.102 nan 4.420 nan 0.000 0.216 276 P C 1.982 179.339 177.300 0.095 0.000 1.153 276 P CA 1.380 64.555 63.100 0.124 0.000 0.858 276 P CB -0.072 31.676 31.700 0.080 0.000 0.789 277 Q N -1.134 118.705 119.800 0.066 0.000 2.050 277 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 277 Q C 2.115 178.072 176.000 -0.071 0.000 0.980 277 Q CA 1.144 56.964 55.803 0.028 0.000 0.840 277 Q CB -0.900 27.870 28.738 0.052 0.000 0.898 277 Q HN 0.178 nan 8.270 nan 0.000 0.424 278 L N 0.781 121.927 121.223 -0.128 0.000 2.046 278 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 278 L C 2.185 178.652 176.870 -0.672 0.000 1.077 278 L CA 1.980 56.569 54.840 -0.419 0.000 0.747 278 L CB -0.841 40.923 42.059 -0.491 0.000 0.896 278 L HN 0.125 nan 8.230 nan 0.000 0.432 279 A N -0.904 121.739 122.820 -0.295 0.000 1.986 279 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 279 A C 2.026 179.350 177.584 -0.434 0.000 1.171 279 A CA 2.042 53.899 52.037 -0.299 0.000 0.640 279 A CB -0.798 18.285 19.000 0.138 0.000 0.811 279 A HN 0.561 nan 8.150 nan 0.000 0.451 280 D N -0.760 119.545 120.400 -0.157 0.000 2.183 280 D HA -0.079 4.560 4.640 -0.000 0.000 0.203 280 D C 1.851 178.127 176.300 -0.040 0.000 0.969 280 D CA 1.034 55.051 54.000 0.028 0.000 0.842 280 D CB -0.230 40.624 40.800 0.090 0.000 0.957 280 D HN 0.378 nan 8.370 nan 0.000 0.484 281 L N 0.447 121.545 121.223 -0.208 0.000 1.989 281 L HA -0.227 4.112 4.340 -0.000 0.000 0.211 281 L C 2.041 178.859 176.870 -0.087 0.000 1.071 281 L CA 1.713 56.437 54.840 -0.194 0.000 0.749 281 L CB -0.943 40.907 42.059 -0.348 0.000 0.890 281 L HN -0.011 nan 8.230 nan 0.000 0.431 282 Y N -0.210 119.998 120.300 -0.152 0.000 2.224 282 Y HA -0.218 4.331 4.550 -0.000 0.000 0.289 282 Y C 2.684 178.635 175.900 0.085 0.000 1.146 282 Y CA 1.537 59.575 58.100 -0.104 0.000 1.182 282 Y CB -1.392 36.897 38.460 -0.284 0.000 0.983 282 Y HN 0.459 nan 8.280 nan 0.000 0.524 283 H N -0.736 118.508 119.070 0.291 0.000 2.319 283 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 283 H C 2.504 177.919 175.328 0.145 0.000 1.092 283 H CA 1.593 57.769 56.048 0.213 0.000 1.302 283 H CB -0.104 29.761 29.762 0.173 0.000 1.373 283 H HN 0.358 nan 8.280 nan 0.000 0.497 284 S N 1.138 116.985 115.700 0.245 0.000 2.370 284 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 284 S C 2.124 176.835 174.600 0.185 0.000 1.033 284 S CA 1.235 59.533 58.200 0.164 0.000 1.011 284 S CB -0.723 62.550 63.200 0.121 0.000 0.852 284 S HN 0.317 nan 8.310 nan 0.000 0.457 285 L N 0.282 121.651 121.223 0.243 0.000 2.046 285 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 285 L C 2.980 180.046 176.870 0.328 0.000 1.077 285 L CA 1.546 56.598 54.840 0.353 0.000 0.747 285 L CB -0.634 41.614 42.059 0.315 0.000 0.896 285 L HN 0.331 nan 8.230 nan 0.000 0.432 286 M N 0.161 119.910 119.600 0.248 0.000 2.117 286 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 286 M C 2.886 179.261 176.300 0.125 0.000 1.065 286 M CA 2.306 57.721 55.300 0.191 0.000 1.114 286 M CB -0.496 32.219 32.600 0.192 0.000 1.361 286 M HN 0.268 nan 8.290 nan 0.000 0.408 287 K N 0.619 121.078 120.400 0.099 0.000 2.097 287 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 287 K C 1.890 178.469 176.600 -0.036 0.000 1.049 287 K CA 1.761 58.067 56.287 0.032 0.000 0.933 287 K CB -0.784 31.733 32.500 0.029 0.000 0.717 287 K HN 0.446 nan 8.250 nan 0.000 0.442 288 R N -2.065 118.378 120.500 -0.096 0.000 2.189 288 R HA 0.182 4.522 4.340 -0.000 0.000 0.203 288 R C -0.225 175.735 176.300 -0.567 0.000 1.012 288 R CA 0.233 56.097 56.100 -0.392 0.000 1.015 288 R CB 0.260 30.183 30.300 -0.629 0.000 0.938 288 R HN 0.550 nan 8.270 nan 0.000 0.472 289 Y N -0.331 120.005 120.300 0.060 0.000 2.536 289 Y HA 0.313 4.863 4.550 -0.000 0.000 0.347 289 Y C -1.992 173.941 175.900 0.055 0.000 1.000 289 Y CA -3.160 54.975 58.100 0.059 0.000 1.051 289 Y CB 1.260 39.766 38.460 0.078 0.000 1.259 289 Y HN -0.113 nan 8.280 nan 0.000 0.468 290 P HA 0.171 nan 4.420 nan 0.000 0.225 290 P C -0.553 176.819 177.300 0.119 0.000 1.768 290 P CA 0.476 63.651 63.100 0.126 0.000 0.943 290 P CB -0.583 31.174 31.700 0.095 0.000 1.936 291 I N 1.242 121.895 120.570 0.139 0.000 2.371 291 I HA 0.029 4.199 4.170 -0.000 0.000 0.290 291 I C 1.674 177.854 176.117 0.105 0.000 1.028 291 I CA -0.348 61.021 61.300 0.115 0.000 1.345 291 I CB 1.658 39.731 38.000 0.122 0.000 1.407 291 I HN -0.040 nan 8.210 nan 0.000 0.501 292 V N 1.431 121.415 119.914 0.117 0.000 3.528 292 V HA 0.350 4.470 4.120 -0.000 0.000 0.294 292 V C 0.366 176.597 176.094 0.228 0.000 1.404 292 V CA -0.002 62.406 62.300 0.180 0.000 1.065 292 V CB 0.302 32.271 31.823 0.242 0.000 0.904 292 V HN 0.653 nan 8.190 nan 0.000 0.435 293 S N 0.002 115.802 115.700 0.168 0.000 2.543 293 S HA 0.772 5.242 4.470 -0.000 0.000 0.273 293 S C -1.344 173.269 174.600 0.021 0.000 1.152 293 S CA -0.501 57.773 58.200 0.123 0.000 0.910 293 S CB 1.667 64.965 63.200 0.164 0.000 1.105 293 S HN 0.349 nan 8.310 nan 0.000 0.465 294 I N 3.184 123.732 120.570 -0.037 0.000 2.499 294 I HA 0.467 4.637 4.170 -0.000 0.000 0.288 294 I C -0.358 175.666 176.117 -0.155 0.000 1.048 294 I CA -0.534 60.675 61.300 -0.151 0.000 1.062 294 I CB 2.060 39.912 38.000 -0.246 0.000 1.238 294 I HN 0.609 nan 8.210 nan 0.000 0.426 295 E N 5.439 125.523 120.200 -0.194 0.000 2.183 295 E HA 0.203 4.553 4.350 -0.000 0.000 0.271 295 E C -0.924 175.560 176.600 -0.193 0.000 0.919 295 E CA -0.468 55.858 56.400 -0.123 0.000 0.781 295 E CB 1.156 30.802 29.700 -0.089 0.000 1.140 295 E HN 0.543 nan 8.360 nan 0.000 0.402 296 D N 4.037 124.405 120.400 -0.054 0.000 2.686 296 D HA -0.148 4.491 4.640 -0.000 0.000 0.235 296 D C -1.817 174.147 176.300 -0.560 0.000 1.160 296 D CA 0.441 54.377 54.000 -0.106 0.000 0.645 296 D CB -0.503 40.279 40.800 -0.030 0.000 1.039 296 D HN 0.452 nan 8.370 nan 0.000 0.423 297 P HA -0.116 nan 4.420 nan 0.000 0.220 297 P C 0.369 176.713 177.300 -1.593 0.000 1.148 297 P CA 1.162 63.449 63.100 -1.355 0.000 0.803 297 P CB 0.220 30.922 31.700 -1.663 0.000 0.782 298 F N -1.008 118.348 119.950 -0.989 0.000 2.631 298 F HA 0.638 5.165 4.527 -0.000 0.000 0.328 298 F C 0.757 176.429 175.800 -0.212 0.000 1.067 298 F CA -1.592 56.011 58.000 -0.662 0.000 0.969 298 F CB 0.305 38.822 39.000 -0.805 0.000 1.332 298 F HN -0.240 nan 8.300 nan 0.000 0.490 299 A N 0.161 123.034 122.820 0.090 0.000 2.296 299 A HA 0.288 4.608 4.320 -0.000 0.000 0.264 299 A C 1.198 178.731 177.584 -0.085 0.000 1.097 299 A CA -0.121 51.787 52.037 -0.215 0.000 0.811 299 A CB 0.019 18.417 19.000 -1.003 0.000 1.072 299 A HN 0.917 nan 8.150 nan 0.000 0.495 300 E N -0.371 119.719 120.200 -0.183 0.000 2.338 300 E HA -0.142 4.207 4.350 -0.000 0.000 0.197 300 E C -0.540 175.865 176.600 -0.326 0.000 1.007 300 E CA 1.400 57.693 56.400 -0.178 0.000 0.849 300 E CB -0.018 29.627 29.700 -0.091 0.000 0.774 300 E HN 0.634 nan 8.360 nan 0.000 0.506 301 D N 0.658 120.859 120.400 -0.332 0.000 2.556 301 D HA 0.015 4.654 4.640 -0.000 0.000 0.237 301 D C -0.418 175.652 176.300 -0.383 0.000 1.296 301 D CA -0.083 53.685 54.000 -0.386 0.000 0.807 301 D CB 0.378 41.180 40.800 0.002 0.000 1.084 301 D HN 0.002 nan 8.370 nan 0.000 0.510 302 D N 0.074 120.278 120.400 -0.327 0.000 2.845 302 D HA 0.036 4.675 4.640 -0.000 0.000 0.235 302 D C 0.983 177.356 176.300 0.122 0.000 1.158 302 D CA -0.443 53.515 54.000 -0.070 0.000 0.990 302 D CB -0.337 40.394 40.800 -0.115 0.000 1.094 302 D HN 0.115 nan 8.370 nan 0.000 0.486 303 W N 1.018 122.413 121.300 0.158 0.000 2.318 303 W HA -0.201 4.459 4.660 -0.000 0.000 0.313 303 W C 2.598 179.224 176.519 0.179 0.000 1.221 303 W CA 1.619 59.050 57.345 0.143 0.000 1.266 303 W CB -0.533 28.955 29.460 0.046 0.000 1.150 303 W HN 0.361 nan 8.180 nan 0.000 0.496 304 E N 0.626 121.033 120.200 0.346 0.000 2.118 304 E HA -0.135 4.214 4.350 -0.000 0.000 0.195 304 E C 1.922 178.619 176.600 0.162 0.000 0.992 304 E CA 2.022 58.559 56.400 0.230 0.000 0.804 304 E CB -1.106 28.690 29.700 0.161 0.000 0.741 304 E HN 0.352 nan 8.360 nan 0.000 0.458 305 A N -0.232 122.620 122.820 0.053 0.000 1.855 305 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 305 A C 2.206 179.563 177.584 -0.379 0.000 1.191 305 A CA 1.532 53.366 52.037 -0.339 0.000 0.613 305 A CB -0.842 17.797 19.000 -0.602 0.000 0.829 305 A HN 0.681 nan 8.150 nan 0.000 0.442 306 W N 0.641 121.855 121.300 -0.143 0.000 2.333 306 W HA -0.150 4.510 4.660 -0.001 0.000 0.316 306 W C 2.883 179.554 176.519 0.253 0.000 1.215 306 W CA 1.905 59.344 57.345 0.156 0.000 1.278 306 W CB -0.730 28.826 29.460 0.161 0.000 1.154 306 W HN 0.265 nan 8.180 nan 0.000 0.486 307 S N -1.391 114.592 115.700 0.471 0.000 2.382 307 S HA -0.287 4.182 4.470 -0.000 0.000 0.228 307 S C 1.478 176.285 174.600 0.345 0.000 1.027 307 S CA 1.790 60.222 58.200 0.386 0.000 0.991 307 S CB -0.670 62.719 63.200 0.315 0.000 0.823 307 S HN 0.431 nan 8.310 nan 0.000 0.469 308 H N 0.398 119.590 119.070 0.203 0.000 2.363 308 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 308 H C 1.766 177.229 175.328 0.225 0.000 1.074 308 H CA 1.474 57.620 56.048 0.163 0.000 1.354 308 H CB -0.407 29.409 29.762 0.090 0.000 1.397 308 H HN 0.375 nan 8.280 nan 0.000 0.516 309 F N -0.334 119.605 119.950 -0.019 0.000 2.259 309 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 309 F C 1.884 177.748 175.800 0.107 0.000 1.088 309 F CA 0.848 58.868 58.000 0.032 0.000 1.358 309 F CB -0.675 38.465 39.000 0.233 0.000 1.040 309 F HN 0.242 nan 8.300 nan 0.000 0.505 310 F N 1.468 121.432 119.950 0.025 0.000 2.234 310 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 310 F C 2.096 177.824 175.800 -0.120 0.000 1.087 310 F CA 1.435 59.394 58.000 -0.067 0.000 1.340 310 F CB -0.495 38.576 39.000 0.118 0.000 1.031 310 F HN -0.148 nan 8.300 nan 0.000 0.500 311 K N -0.679 119.670 120.400 -0.085 0.000 2.160 311 K HA -0.163 4.156 4.320 -0.000 0.000 0.206 311 K C 1.463 177.893 176.600 -0.284 0.000 1.047 311 K CA 1.967 58.177 56.287 -0.128 0.000 0.930 311 K CB -0.477 32.002 32.500 -0.034 0.000 0.720 311 K HN 0.448 nan 8.250 nan 0.000 0.450 312 T N -3.680 110.664 114.554 -0.351 0.000 3.058 312 T HA 0.365 4.715 4.350 -0.000 0.000 0.278 312 T C 1.755 176.222 174.700 -0.389 0.000 0.974 312 T CA 0.127 62.037 62.100 -0.316 0.000 0.893 312 T CB 0.555 69.281 68.868 -0.237 0.000 1.138 312 T HN 0.087 nan 8.240 nan 0.000 0.529 313 A N 2.137 124.595 122.820 -0.603 0.000 1.917 313 A HA 0.304 4.624 4.320 -0.000 0.000 0.219 313 A C 2.489 179.846 177.584 -0.377 0.000 1.182 313 A CA 1.904 53.547 52.037 -0.656 0.000 0.633 313 A CB -1.611 16.820 19.000 -0.948 0.000 0.819 313 A HN 1.572 nan 8.150 nan 0.000 0.448 314 G N -1.340 107.216 108.800 -0.407 0.000 2.175 314 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 314 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 314 G C 0.310 175.085 174.900 -0.210 0.000 0.979 314 G CA 1.066 46.001 45.100 -0.276 0.000 0.663 314 G HN 1.682 nan 8.290 nan 0.000 0.533 315 I N -4.120 116.321 120.570 -0.215 0.000 3.239 315 I HA 0.740 4.909 4.170 -0.000 0.000 0.314 315 I C 0.109 176.127 176.117 -0.164 0.000 1.126 315 I CA -1.569 59.645 61.300 -0.143 0.000 0.973 315 I CB 1.466 39.442 38.000 -0.041 0.000 1.252 315 I HN 0.059 nan 8.210 nan 0.000 0.463 316 Q N 2.207 121.922 119.800 -0.143 0.000 2.274 316 Q HA 0.233 4.572 4.340 -0.000 0.000 0.280 316 Q C -1.332 174.665 176.000 -0.005 0.000 1.047 316 Q CA 0.072 55.797 55.803 -0.131 0.000 0.907 316 Q CB 0.633 29.352 28.738 -0.031 0.000 1.171 316 Q HN 0.511 nan 8.270 nan 0.000 0.381 317 I N 5.676 126.280 120.570 0.057 0.000 2.382 317 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 317 I C -0.559 175.590 176.117 0.054 0.000 1.002 317 I CA -0.660 60.716 61.300 0.125 0.000 1.135 317 I CB 1.301 39.508 38.000 0.345 0.000 1.288 317 I HN 0.431 nan 8.210 nan 0.000 0.448 318 V N 5.485 125.430 119.914 0.052 0.000 2.427 318 V HA 0.634 4.754 4.120 -0.000 0.000 0.286 318 V C 0.621 176.793 176.094 0.129 0.000 1.034 318 V CA -0.760 61.545 62.300 0.009 0.000 0.893 318 V CB 1.543 33.345 31.823 -0.035 0.000 0.982 318 V HN 0.833 nan 8.190 nan 0.000 0.452 319 A N 2.826 125.655 122.820 0.015 0.000 2.274 319 A HA 0.599 4.919 4.320 -0.000 0.000 0.309 319 A C 0.276 177.860 177.584 -0.001 0.000 1.226 319 A CA -0.216 51.803 52.037 -0.030 0.000 0.853 319 A CB 0.789 19.663 19.000 -0.209 0.000 1.146 319 A HN 0.900 nan 8.150 nan 0.000 0.518 320 D N 1.677 122.091 120.400 0.023 0.000 3.136 320 D HA 0.039 4.679 4.640 -0.000 0.000 0.254 320 D C 1.624 177.911 176.300 -0.022 0.000 1.563 320 D CA 0.527 54.530 54.000 0.005 0.000 1.225 320 D CB 0.104 40.912 40.800 0.013 0.000 1.079 320 D HN 0.427 nan 8.370 nan 0.000 0.314 321 R N -0.074 120.416 120.500 -0.017 0.000 2.193 321 R HA 0.105 4.445 4.340 -0.000 0.000 0.213 321 R C 2.182 178.432 176.300 -0.082 0.000 1.055 321 R CA 0.313 56.390 56.100 -0.039 0.000 0.995 321 R CB -0.186 30.086 30.300 -0.046 0.000 0.893 321 R HN 0.191 nan 8.270 nan 0.000 0.459 322 L N 0.557 121.667 121.223 -0.188 0.000 2.042 322 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 322 L C 1.908 178.603 176.870 -0.291 0.000 1.076 322 L CA 2.211 56.776 54.840 -0.457 0.000 0.749 322 L CB -0.314 41.120 42.059 -1.042 0.000 0.893 322 L HN 0.248 nan 8.230 nan 0.000 0.432 323 T N -4.442 110.016 114.554 -0.161 0.000 3.000 323 T HA 0.129 4.478 4.350 -0.000 0.000 0.248 323 T C 0.955 175.644 174.700 -0.018 0.000 1.034 323 T CA 0.425 62.494 62.100 -0.052 0.000 1.060 323 T CB -0.468 68.403 68.868 0.005 0.000 0.983 323 T HN 0.572 nan 8.240 nan 0.000 0.482 324 V N 0.738 120.643 119.914 -0.015 0.000 5.043 324 V HA -0.266 3.854 4.120 -0.000 0.000 0.267 324 V C 0.418 176.512 176.094 -0.001 0.000 0.597 324 V CA 0.788 63.089 62.300 0.002 0.000 0.703 324 V CB -3.587 28.253 31.823 0.029 0.000 0.558 324 V HN 0.760 nan 8.190 nan 0.000 1.038 325 T N -1.410 113.142 114.554 -0.004 0.000 3.935 325 T HA -0.270 4.080 4.350 -0.000 0.000 0.346 325 T C 0.233 174.921 174.700 -0.021 0.000 0.758 325 T CA 1.593 63.688 62.100 -0.009 0.000 1.874 325 T CB -1.552 67.315 68.868 -0.003 0.000 1.875 325 T HN 1.422 nan 8.240 nan 0.000 0.802 326 N N 0.659 119.344 118.700 -0.025 0.000 2.518 326 N HA 0.329 5.069 4.740 -0.000 0.000 0.254 326 N C -1.835 173.642 175.510 -0.055 0.000 0.979 326 N CA -2.428 50.602 53.050 -0.033 0.000 0.930 326 N CB 2.047 40.521 38.487 -0.021 0.000 1.152 326 N HN -0.110 nan 8.380 nan 0.000 0.505 327 P HA -0.195 nan 4.420 nan 0.000 0.218 327 P C 0.861 178.100 177.300 -0.101 0.000 1.152 327 P CA 1.676 64.720 63.100 -0.095 0.000 0.857 327 P CB 0.446 32.097 31.700 -0.081 0.000 0.787 328 K N -0.684 119.668 120.400 -0.080 0.000 2.032 328 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 328 K C 2.171 178.717 176.600 -0.090 0.000 1.048 328 K CA 1.274 57.510 56.287 -0.085 0.000 0.927 328 K CB -0.265 32.192 32.500 -0.071 0.000 0.712 328 K HN 0.140 nan 8.250 nan 0.000 0.441 329 R N 0.520 120.985 120.500 -0.059 0.000 2.119 329 R HA 0.040 4.380 4.340 -0.000 0.000 0.222 329 R C 2.328 178.630 176.300 0.003 0.000 1.088 329 R CA 0.779 56.879 56.100 -0.000 0.000 0.984 329 R CB -0.389 29.929 30.300 0.029 0.000 0.884 329 R HN 0.249 nan 8.270 nan 0.000 0.447 330 I N 1.238 121.765 120.570 -0.073 0.000 2.286 330 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 330 I C 2.630 178.587 176.117 -0.266 0.000 1.115 330 I CA 1.266 62.463 61.300 -0.172 0.000 1.392 330 I CB -0.429 37.430 38.000 -0.235 0.000 1.065 330 I HN 0.094 nan 8.210 nan 0.000 0.418 331 A N 0.416 123.105 122.820 -0.218 0.000 1.883 331 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 331 A C 2.397 179.846 177.584 -0.224 0.000 1.186 331 A CA 2.552 54.454 52.037 -0.226 0.000 0.624 331 A CB -1.137 17.756 19.000 -0.178 0.000 0.822 331 A HN 0.381 nan 8.150 nan 0.000 0.444 332 T N 0.364 114.780 114.554 -0.230 0.000 2.674 332 T HA -0.050 4.300 4.350 -0.000 0.000 0.265 332 T C 2.235 176.749 174.700 -0.310 0.000 1.039 332 T CA 1.768 63.648 62.100 -0.367 0.000 1.150 332 T CB -0.542 67.978 68.868 -0.581 0.000 0.864 332 T HN 0.617 nan 8.240 nan 0.000 0.427 333 A N 0.789 123.573 122.820 -0.060 0.000 1.978 333 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 333 A C 2.271 179.962 177.584 0.178 0.000 1.170 333 A CA 1.234 53.420 52.037 0.249 0.000 0.636 333 A CB -0.788 18.462 19.000 0.416 0.000 0.810 333 A HN 0.533 nan 8.150 nan 0.000 0.448 334 I N -0.722 119.792 120.570 -0.094 0.000 2.163 334 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 334 I C 2.598 178.689 176.117 -0.045 0.000 1.081 334 I CA 1.688 62.904 61.300 -0.139 0.000 1.353 334 I CB -0.320 37.433 38.000 -0.411 0.000 1.054 334 I HN 0.504 nan 8.210 nan 0.000 0.407 335 E N 1.786 121.923 120.200 -0.104 0.000 2.085 335 E HA -0.272 4.077 4.350 -0.000 0.000 0.194 335 E C 1.836 178.408 176.600 -0.046 0.000 0.994 335 E CA 1.489 57.836 56.400 -0.088 0.000 0.801 335 E CB 0.026 29.643 29.700 -0.139 0.000 0.743 335 E HN 0.449 nan 8.360 nan 0.000 0.453 336 K N 0.275 120.643 120.400 -0.053 0.000 2.487 336 K HA 0.002 4.322 4.320 -0.000 0.000 0.192 336 K C 0.161 176.825 176.600 0.107 0.000 1.027 336 K CA 0.212 56.507 56.287 0.014 0.000 1.054 336 K CB 0.125 32.615 32.500 -0.017 0.000 0.824 336 K HN 0.052 nan 8.250 nan 0.000 0.510 337 K N -0.662 119.795 120.400 0.095 0.000 3.077 337 K HA -0.246 4.074 4.320 -0.000 0.000 0.264 337 K C 0.624 177.199 176.600 -0.042 0.000 1.008 337 K CA 0.214 56.534 56.287 0.055 0.000 0.740 337 K CB -1.343 31.247 32.500 0.150 0.000 1.273 337 K HN 0.364 nan 8.250 nan 0.000 0.477 338 A N -0.229 122.626 122.820 0.057 0.000 2.021 338 A HA 0.443 4.763 4.320 -0.000 0.000 0.216 338 A C 0.878 178.484 177.584 0.037 0.000 1.163 338 A CA 1.387 53.539 52.037 0.192 0.000 0.676 338 A CB 0.232 19.408 19.000 0.294 0.000 0.818 338 A HN 0.631 nan 8.150 nan 0.000 0.453 339 A N -0.790 121.743 122.820 -0.478 0.000 2.557 339 A HA 0.571 4.891 4.320 -0.000 0.000 0.292 339 A C -1.276 175.495 177.584 -1.355 0.000 1.139 339 A CA 0.216 51.847 52.037 -0.677 0.000 0.665 339 A CB 0.501 19.229 19.000 -0.453 0.000 1.285 339 A HN 0.282 nan 8.150 nan 0.000 0.433 340 D N -1.369 118.415 120.400 -1.027 0.000 2.636 340 D HA 0.538 5.178 4.640 -0.000 0.000 0.270 340 D C -0.308 175.521 176.300 -0.785 0.000 1.430 340 D CA 0.715 54.013 54.000 -1.169 0.000 0.796 340 D CB 0.405 41.150 40.800 -0.092 0.000 1.117 340 D HN 1.279 nan 8.370 nan 0.000 0.480 341 A N 0.164 122.476 122.820 -0.846 0.000 2.566 341 A HA 0.586 4.906 4.320 -0.000 0.000 0.297 341 A C -1.935 175.549 177.584 -0.165 0.000 1.059 341 A CA -0.929 50.955 52.037 -0.256 0.000 0.691 341 A CB 1.435 20.404 19.000 -0.052 0.000 1.282 341 A HN 0.191 nan 8.150 nan 0.000 0.401 342 L N 1.909 123.203 121.223 0.117 0.000 2.295 342 L HA 0.748 5.088 4.340 -0.000 0.000 0.285 342 L C -0.905 175.984 176.870 0.031 0.000 1.035 342 L CA -0.586 54.340 54.840 0.143 0.000 0.806 342 L CB 1.253 43.417 42.059 0.175 0.000 1.214 342 L HN 0.675 nan 8.230 nan 0.000 0.426 343 L N 5.900 127.134 121.223 0.018 0.000 2.283 343 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 343 L C -0.724 176.155 176.870 0.015 0.000 1.073 343 L CA 0.206 55.049 54.840 0.005 0.000 0.822 343 L CB 0.791 42.851 42.059 0.002 0.000 1.186 343 L HN 0.709 nan 8.230 nan 0.000 0.436 344 L N 6.184 127.417 121.223 0.016 0.000 2.259 344 L HA 0.424 4.764 4.340 -0.000 0.000 0.288 344 L C -0.667 176.228 176.870 0.042 0.000 1.051 344 L CA -0.325 54.527 54.840 0.020 0.000 0.824 344 L CB 0.065 42.131 42.059 0.013 0.000 1.206 344 L HN 0.611 nan 8.230 nan 0.000 0.429 345 K N 4.369 124.790 120.400 0.035 0.000 2.521 345 K HA 0.172 4.492 4.320 -0.000 0.000 0.248 345 K C 1.031 177.649 176.600 0.030 0.000 0.978 345 K CA -0.427 55.885 56.287 0.042 0.000 0.947 345 K CB 1.854 34.371 32.500 0.027 0.000 1.165 345 K HN 0.584 nan 8.250 nan 0.000 0.445 346 V N 0.301 120.242 119.914 0.045 0.000 2.380 346 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 346 V C 1.695 177.783 176.094 -0.011 0.000 1.063 346 V CA 2.118 64.430 62.300 0.021 0.000 1.055 346 V CB -0.576 31.259 31.823 0.021 0.000 0.657 346 V HN 0.879 nan 8.190 nan 0.000 0.455 347 N N 0.238 118.930 118.700 -0.014 0.000 2.467 347 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 347 N C 1.717 177.213 175.510 -0.023 0.000 1.106 347 N CA 1.193 54.225 53.050 -0.029 0.000 0.892 347 N CB -0.269 38.196 38.487 -0.037 0.000 0.969 347 N HN 0.707 nan 8.380 nan 0.000 0.454 348 Q N -0.382 119.411 119.800 -0.012 0.000 2.297 348 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 348 Q C 1.163 177.158 176.000 -0.009 0.000 0.962 348 Q CA 0.874 56.672 55.803 -0.009 0.000 0.879 348 Q CB 0.191 28.927 28.738 -0.003 0.000 0.947 348 Q HN 0.353 nan 8.270 nan 0.000 0.462 349 I N -2.275 118.287 120.570 -0.012 0.000 3.971 349 I HA 0.198 4.368 4.170 -0.000 0.000 0.303 349 I C 1.098 177.203 176.117 -0.020 0.000 1.233 349 I CA 1.258 62.550 61.300 -0.014 0.000 1.346 349 I CB 1.000 38.993 38.000 -0.013 0.000 1.273 349 I HN 0.179 nan 8.210 nan 0.000 0.448 350 G N 0.552 109.336 108.800 -0.026 0.000 2.179 350 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 350 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 350 G C 0.471 175.347 174.900 -0.039 0.000 0.990 350 G CA 0.375 45.453 45.100 -0.037 0.000 0.646 350 G HN 0.751 nan 8.290 nan 0.000 0.517 351 T N -2.675 111.861 114.554 -0.029 0.000 2.900 351 T HA 0.643 4.993 4.350 -0.000 0.000 0.303 351 T C 0.923 175.613 174.700 -0.017 0.000 1.142 351 T CA 0.007 62.092 62.100 -0.024 0.000 1.007 351 T CB 1.951 70.818 68.868 -0.001 0.000 1.156 351 T HN 0.923 nan 8.240 nan 0.000 0.490 352 L N 1.999 123.212 121.223 -0.017 0.000 2.046 352 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 352 L C 2.502 179.396 176.870 0.041 0.000 1.077 352 L CA 2.030 56.884 54.840 0.024 0.000 0.747 352 L CB -1.341 40.744 42.059 0.044 0.000 0.896 352 L HN 0.855 nan 8.230 nan 0.000 0.432 353 S N -0.412 115.306 115.700 0.031 0.000 2.356 353 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 353 S C 1.759 176.366 174.600 0.011 0.000 1.032 353 S CA 1.503 59.718 58.200 0.026 0.000 1.005 353 S CB -0.280 62.937 63.200 0.028 0.000 0.867 353 S HN 0.562 nan 8.310 nan 0.000 0.449 354 E N 0.908 121.111 120.200 0.004 0.000 2.153 354 E HA -0.065 4.284 4.350 -0.000 0.000 0.194 354 E C 2.173 178.767 176.600 -0.011 0.000 0.988 354 E CA 1.127 57.522 56.400 -0.009 0.000 0.811 354 E CB -0.091 29.601 29.700 -0.013 0.000 0.746 354 E HN 0.319 nan 8.360 nan 0.000 0.466 355 S N 0.655 116.357 115.700 0.004 0.000 2.371 355 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 355 S C 1.995 176.599 174.600 0.006 0.000 1.029 355 S CA 0.599 58.805 58.200 0.009 0.000 0.978 355 S CB -0.054 63.169 63.200 0.039 0.000 0.833 355 S HN 0.193 nan 8.310 nan 0.000 0.466 356 I N 2.033 122.616 120.570 0.022 0.000 2.315 356 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 356 I C 2.888 179.000 176.117 -0.008 0.000 1.117 356 I CA 1.460 62.772 61.300 0.020 0.000 1.404 356 I CB -0.430 37.589 38.000 0.032 0.000 1.071 356 I HN 0.319 nan 8.210 nan 0.000 0.419 357 K N 1.010 121.398 120.400 -0.019 0.000 2.057 357 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 357 K C 2.284 178.841 176.600 -0.072 0.000 1.050 357 K CA 1.317 57.582 56.287 -0.038 0.000 0.935 357 K CB -1.284 31.195 32.500 -0.036 0.000 0.715 357 K HN 0.424 nan 8.250 nan 0.000 0.439 358 A N 1.222 123.997 122.820 -0.076 0.000 1.892 358 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 358 A C 2.798 180.282 177.584 -0.168 0.000 1.188 358 A CA 2.640 54.612 52.037 -0.108 0.000 0.631 358 A CB -0.974 17.982 19.000 -0.074 0.000 0.822 358 A HN 0.963 nan 8.150 nan 0.000 0.447 359 A N -1.053 121.661 122.820 -0.176 0.000 1.898 359 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 359 A C 2.119 179.469 177.584 -0.390 0.000 1.181 359 A CA 1.584 53.406 52.037 -0.359 0.000 0.620 359 A CB -0.576 18.265 19.000 -0.266 0.000 0.819 359 A HN 0.654 nan 8.150 nan 0.000 0.442 360 Q N -0.227 119.506 119.800 -0.111 0.000 2.084 360 Q HA -0.194 4.145 4.340 -0.000 0.000 0.202 360 Q C 1.455 177.427 176.000 -0.047 0.000 0.978 360 Q CA 1.534 57.349 55.803 0.020 0.000 0.844 360 Q CB -0.252 28.505 28.738 0.031 0.000 0.898 360 Q HN 0.589 nan 8.270 nan 0.000 0.426 361 D N -0.079 120.243 120.400 -0.129 0.000 2.144 361 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 361 D C 1.962 178.100 176.300 -0.269 0.000 0.984 361 D CA 1.147 55.038 54.000 -0.182 0.000 0.834 361 D CB -0.133 40.540 40.800 -0.211 0.000 0.955 361 D HN 0.075 nan 8.370 nan 0.000 0.465 362 S N 0.300 115.811 115.700 -0.314 0.000 2.355 362 S HA -0.085 4.385 4.470 -0.000 0.000 0.222 362 S C 1.777 176.334 174.600 -0.072 0.000 1.031 362 S CA 0.493 58.504 58.200 -0.316 0.000 0.993 362 S CB -0.331 62.752 63.200 -0.194 0.000 0.859 362 S HN 0.141 nan 8.310 nan 0.000 0.453 363 F N 2.195 122.149 119.950 0.007 0.000 2.161 363 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 363 F C 2.615 178.412 175.800 -0.005 0.000 1.089 363 F CA 0.210 58.226 58.000 0.025 0.000 1.282 363 F CB -1.318 37.688 39.000 0.009 0.000 1.010 363 F HN 0.186 nan 8.300 nan 0.000 0.485 364 A N -0.131 122.766 122.820 0.127 0.000 1.933 364 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 364 A C 2.276 179.863 177.584 0.005 0.000 1.175 364 A CA 1.587 53.646 52.037 0.037 0.000 0.628 364 A CB -1.148 17.843 19.000 -0.016 0.000 0.814 364 A HN 0.261 nan 8.150 nan 0.000 0.444 365 A N -1.681 121.109 122.820 -0.050 0.000 2.238 365 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 365 A C 1.712 179.380 177.584 0.139 0.000 1.177 365 A CA 1.113 53.116 52.037 -0.058 0.000 0.804 365 A CB -1.066 17.733 19.000 -0.335 0.000 0.823 365 A HN 1.893 nan 8.150 nan 0.000 0.482 366 G N -2.452 106.465 108.800 0.195 0.000 2.160 366 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 366 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 366 G C -0.139 175.045 174.900 0.475 0.000 1.008 366 G CA 0.295 45.571 45.100 0.292 0.000 0.724 366 G HN 0.378 nan 8.290 nan 0.000 0.514 367 W N 0.159 121.532 121.300 0.122 0.000 2.253 367 W HA 0.648 5.308 4.660 -0.000 0.000 0.348 367 W C 0.998 177.518 176.519 0.002 0.000 1.229 367 W CA 0.135 57.514 57.345 0.057 0.000 1.335 367 W CB 0.747 30.201 29.460 -0.010 0.000 1.165 367 W HN 0.416 nan 8.180 nan 0.000 0.631 368 G N -0.029 108.780 108.800 0.014 0.000 2.511 368 G HA2 0.585 4.545 3.960 -0.000 0.000 0.316 368 G HA3 0.585 4.545 3.960 -0.000 0.000 0.316 368 G C -1.729 173.216 174.900 0.076 0.000 1.210 368 G CA -0.652 44.436 45.100 -0.019 0.000 0.969 368 G HN 0.259 nan 8.290 nan 0.000 0.492 369 V N 0.839 120.813 119.914 0.101 0.000 2.569 369 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 369 V C -0.310 175.813 176.094 0.049 0.000 1.044 369 V CA -0.474 61.823 62.300 -0.005 0.000 0.874 369 V CB 1.662 33.353 31.823 -0.221 0.000 1.002 369 V HN 0.797 nan 8.190 nan 0.000 0.424 370 M N 5.649 125.248 119.600 -0.000 0.000 2.066 370 M HA 0.556 5.035 4.480 -0.000 0.000 0.340 370 M C -0.937 175.362 176.300 -0.002 0.000 1.053 370 M CA -0.401 54.883 55.300 -0.027 0.000 0.983 370 M CB 1.312 33.828 32.600 -0.139 0.000 1.520 370 M HN 0.482 nan 8.290 nan 0.000 0.428 371 V N 3.638 123.569 119.914 0.028 0.000 2.811 371 V HA 0.340 4.460 4.120 -0.000 0.000 0.302 371 V C 0.131 176.254 176.094 0.048 0.000 1.063 371 V CA 0.019 62.346 62.300 0.045 0.000 1.088 371 V CB 1.532 33.389 31.823 0.057 0.000 0.982 371 V HN 0.904 nan 8.190 nan 0.000 0.485 372 S N 1.946 117.695 115.700 0.081 0.000 2.540 372 S HA 0.479 4.949 4.470 -0.000 0.000 0.275 372 S C -0.493 174.231 174.600 0.206 0.000 1.123 372 S CA -0.855 57.424 58.200 0.131 0.000 0.907 372 S CB 0.923 64.200 63.200 0.127 0.000 1.081 372 S HN 1.009 nan 8.310 nan 0.000 0.476 373 H N 2.239 121.334 119.070 0.043 0.000 2.703 373 H HA 0.582 5.138 4.556 -0.001 0.000 0.377 373 H C 0.047 175.393 175.328 0.030 0.000 1.392 373 H CA -0.847 55.226 56.048 0.042 0.000 1.458 373 H CB 0.402 30.189 29.762 0.041 0.000 1.529 373 H HN 0.293 nan 8.280 nan 0.000 0.619 374 R N 0.075 120.530 120.500 -0.074 0.000 2.674 374 R HA 0.095 4.435 4.340 -0.000 0.000 0.266 374 R C 1.306 177.378 176.300 -0.379 0.000 1.016 374 R CA -0.217 55.757 56.100 -0.210 0.000 1.062 374 R CB 1.326 31.572 30.300 -0.089 0.000 1.142 374 R HN 0.938 nan 8.270 nan 0.000 0.517 375 S N -0.426 115.099 115.700 -0.293 0.000 2.419 375 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 375 S C 1.069 175.598 174.600 -0.118 0.000 1.016 375 S CA 0.756 58.824 58.200 -0.219 0.000 0.974 375 S CB -0.097 63.038 63.200 -0.107 0.000 0.786 375 S HN 0.686 nan 8.310 nan 0.000 0.492 376 G N 1.752 110.498 108.800 -0.090 0.000 2.607 376 G HA2 0.520 4.480 3.960 -0.000 0.000 0.332 376 G HA3 0.520 4.480 3.960 -0.000 0.000 0.332 376 G C -0.357 174.522 174.900 -0.035 0.000 1.046 376 G CA -0.454 44.617 45.100 -0.049 0.000 1.099 376 G HN 0.141 nan 8.290 nan 0.000 0.451 377 E N 0.402 120.597 120.200 -0.008 0.000 2.405 377 E HA 0.696 5.046 4.350 -0.000 0.000 0.249 377 E C 0.479 177.099 176.600 0.033 0.000 1.028 377 E CA -0.336 56.078 56.400 0.024 0.000 0.897 377 E CB 2.034 31.775 29.700 0.069 0.000 1.262 377 E HN 0.560 nan 8.360 nan 0.000 0.442 378 T N -3.005 111.577 114.554 0.047 0.000 2.696 378 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 378 T C 0.667 175.402 174.700 0.059 0.000 1.095 378 T CA -0.670 61.459 62.100 0.047 0.000 1.026 378 T CB 0.916 69.805 68.868 0.034 0.000 1.390 378 T HN 0.402 nan 8.240 nan 0.000 0.513 379 E N 0.401 120.635 120.200 0.057 0.000 2.515 379 E HA -0.079 4.270 4.350 -0.000 0.000 0.201 379 E C 0.104 176.744 176.600 0.067 0.000 1.071 379 E CA 0.154 56.589 56.400 0.058 0.000 0.880 379 E CB -0.303 29.428 29.700 0.053 0.000 0.828 379 E HN 0.708 nan 8.360 nan 0.000 0.540 380 D N 2.040 122.484 120.400 0.073 0.000 2.389 380 D HA -0.020 4.620 4.640 -0.000 0.000 0.247 380 D C 0.329 176.699 176.300 0.116 0.000 1.128 380 D CA 0.563 54.620 54.000 0.096 0.000 0.884 380 D CB 1.188 42.042 40.800 0.091 0.000 1.194 380 D HN 0.102 nan 8.370 nan 0.000 0.441 381 T N 1.168 115.801 114.554 0.132 0.000 3.174 381 T HA 0.032 4.382 4.350 -0.000 0.000 0.269 381 T C 1.562 176.341 174.700 0.131 0.000 1.017 381 T CA -0.582 61.584 62.100 0.111 0.000 0.899 381 T CB -0.451 68.462 68.868 0.075 0.000 1.077 381 T HN 0.361 nan 8.240 nan 0.000 0.552 382 F N 3.340 123.320 119.950 0.050 0.000 2.115 382 F HA -0.105 4.422 4.527 -0.001 0.000 0.300 382 F C 1.792 177.623 175.800 0.052 0.000 1.092 382 F CA 1.803 59.836 58.000 0.054 0.000 1.245 382 F CB -0.258 38.772 39.000 0.049 0.000 0.995 382 F HN 0.378 nan 8.300 nan 0.000 0.481 383 I N -1.702 118.952 120.570 0.141 0.000 2.676 383 I HA 0.010 4.179 4.170 -0.000 0.000 0.259 383 I C 2.246 178.333 176.117 -0.049 0.000 1.194 383 I CA 1.117 62.455 61.300 0.062 0.000 1.473 383 I CB -1.167 36.917 38.000 0.140 0.000 1.096 383 I HN 0.098 nan 8.210 nan 0.000 0.443 384 A N 1.812 124.599 122.820 -0.055 0.000 1.873 384 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 384 A C 2.090 179.592 177.584 -0.136 0.000 1.186 384 A CA 2.045 54.029 52.037 -0.090 0.000 0.616 384 A CB -0.787 18.170 19.000 -0.072 0.000 0.823 384 A HN 0.512 nan 8.150 nan 0.000 0.442 385 D N -0.574 119.726 120.400 -0.167 0.000 2.144 385 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 385 D C 1.880 178.062 176.300 -0.196 0.000 0.984 385 D CA 1.349 55.261 54.000 -0.147 0.000 0.834 385 D CB -0.124 40.572 40.800 -0.174 0.000 0.955 385 D HN 0.311 nan 8.370 nan 0.000 0.465 386 L N 1.071 122.079 121.223 -0.358 0.000 1.970 386 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 386 L C 2.406 179.241 176.870 -0.059 0.000 1.071 386 L CA 1.386 56.084 54.840 -0.237 0.000 0.751 386 L CB -0.881 41.044 42.059 -0.223 0.000 0.889 386 L HN -0.121 nan 8.230 nan 0.000 0.432 387 V N -1.229 118.660 119.914 -0.042 0.000 2.469 387 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 387 V C 2.339 178.441 176.094 0.013 0.000 1.064 387 V CA 1.891 64.198 62.300 0.010 0.000 1.066 387 V CB -0.022 31.807 31.823 0.010 0.000 0.667 387 V HN 0.348 nan 8.190 nan 0.000 0.461 388 V N 0.496 120.389 119.914 -0.035 0.000 2.302 388 V HA -0.031 4.089 4.120 -0.000 0.000 0.243 388 V C 2.745 178.902 176.094 0.104 0.000 1.036 388 V CA 1.848 64.131 62.300 -0.028 0.000 1.020 388 V CB -1.445 30.254 31.823 -0.207 0.000 0.657 388 V HN 0.599 nan 8.190 nan 0.000 0.453 389 G N 0.117 108.984 108.800 0.112 0.000 2.505 389 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 389 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 389 G C 1.498 176.476 174.900 0.130 0.000 1.145 389 G CA 1.250 46.443 45.100 0.156 0.000 0.761 389 G HN 0.495 nan 8.290 nan 0.000 0.571 390 L N -1.161 120.133 121.223 0.117 0.000 2.558 390 L HA 0.282 4.621 4.340 -0.000 0.000 0.225 390 L C 1.651 178.611 176.870 0.149 0.000 1.128 390 L CA 0.163 55.105 54.840 0.171 0.000 0.868 390 L CB 0.146 42.341 42.059 0.225 0.000 1.006 390 L HN 0.265 nan 8.230 nan 0.000 0.454 391 R N 0.432 120.991 120.500 0.099 0.000 3.531 391 R HA -0.215 4.125 4.340 -0.000 0.000 0.280 391 R C 1.347 177.656 176.300 0.015 0.000 1.130 391 R CA 0.695 56.816 56.100 0.034 0.000 0.757 391 R CB -1.570 28.706 30.300 -0.041 0.000 1.218 391 R HN 0.479 nan 8.270 nan 0.000 0.454 392 T N -3.862 110.773 114.554 0.135 0.000 2.985 392 T HA 0.134 4.484 4.350 -0.000 0.000 0.266 392 T C 1.517 176.303 174.700 0.143 0.000 1.076 392 T CA 1.409 63.649 62.100 0.233 0.000 1.135 392 T CB 0.316 69.379 68.868 0.326 0.000 0.890 392 T HN 0.962 nan 8.240 nan 0.000 0.480 393 G N 1.367 110.229 108.800 0.103 0.000 2.159 393 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.256 393 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.256 393 G C -0.171 174.833 174.900 0.174 0.000 0.977 393 G CA 0.320 45.479 45.100 0.099 0.000 0.652 393 G HN 1.063 nan 8.290 nan 0.000 0.531 394 Q N -1.211 118.695 119.800 0.176 0.000 2.352 394 Q HA 0.774 5.114 4.340 -0.000 0.000 0.270 394 Q C -1.017 175.055 176.000 0.120 0.000 1.006 394 Q CA -1.076 54.850 55.803 0.205 0.000 0.880 394 Q CB 2.228 31.095 28.738 0.215 0.000 1.392 394 Q HN 0.658 nan 8.270 nan 0.000 0.401 395 I N 1.009 121.670 120.570 0.152 0.000 2.769 395 I HA 0.588 4.758 4.170 -0.000 0.000 0.298 395 I C -1.841 174.329 176.117 0.088 0.000 1.128 395 I CA -0.878 60.474 61.300 0.086 0.000 1.031 395 I CB 2.382 40.426 38.000 0.074 0.000 1.235 395 I HN 0.736 nan 8.210 nan 0.000 0.423 396 K N 4.145 124.544 120.400 -0.002 0.000 2.535 396 K HA 0.392 4.711 4.320 -0.000 0.000 0.253 396 K C -0.775 175.627 176.600 -0.330 0.000 0.953 396 K CA -0.307 55.939 56.287 -0.069 0.000 0.863 396 K CB 1.564 34.047 32.500 -0.028 0.000 1.111 396 K HN 0.637 nan 8.250 nan 0.000 0.431 397 T N 2.148 116.425 114.554 -0.462 0.000 3.399 397 T HA 0.372 4.722 4.350 -0.000 0.000 0.305 397 T C -0.124 174.237 174.700 -0.565 0.000 0.983 397 T CA 0.418 62.118 62.100 -0.666 0.000 0.967 397 T CB -0.036 68.732 68.868 -0.166 0.000 1.186 397 T HN 0.984 nan 8.240 nan 0.000 0.504 398 G N 1.094 109.579 108.800 -0.524 0.000 2.525 398 G HA2 0.357 4.317 3.960 -0.000 0.000 0.685 398 G HA3 0.357 4.317 3.960 -0.000 0.000 0.685 398 G C -0.087 174.760 174.900 -0.089 0.000 1.290 398 G CA -0.426 44.624 45.100 -0.082 0.000 0.915 398 G HN 0.790 nan 8.290 nan 0.000 0.548 399 A N 0.449 123.216 122.820 -0.088 0.000 2.429 399 A HA 0.670 4.990 4.320 -0.000 0.000 0.242 399 A C -0.991 176.389 177.584 -0.339 0.000 1.088 399 A CA -0.035 51.844 52.037 -0.263 0.000 0.784 399 A CB 0.062 18.841 19.000 -0.368 0.000 1.038 399 A HN 0.847 nan 8.150 nan 0.000 0.501 400 P HA 0.337 nan 4.420 nan 0.000 0.228 400 P C -0.584 176.446 177.300 -0.451 0.000 1.748 400 P CA 0.812 63.671 63.100 -0.402 0.000 0.909 400 P CB -0.435 31.046 31.700 -0.364 0.000 1.882 401 A N 0.745 123.346 122.820 -0.365 0.000 2.594 401 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 401 A C -0.765 176.785 177.584 -0.056 0.000 1.071 401 A CA -0.789 51.156 52.037 -0.153 0.000 0.685 401 A CB 1.270 20.225 19.000 -0.074 0.000 1.285 401 A HN 0.153 nan 8.150 nan 0.000 0.405 402 R N 0.471 120.975 120.500 0.007 0.000 1.181 402 R HA -0.107 4.233 4.340 -0.000 0.000 0.422 402 R C 0.374 176.688 176.300 0.024 0.000 1.335 402 R CA 0.544 56.660 56.100 0.025 0.000 1.047 402 R CB -1.425 28.895 30.300 0.033 0.000 3.189 402 R HN 0.803 nan 8.270 nan 0.000 0.504 403 S N 1.645 117.364 115.700 0.033 0.000 2.515 403 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 403 S C 1.642 176.268 174.600 0.043 0.000 0.987 403 S CA 1.077 59.298 58.200 0.035 0.000 0.936 403 S CB -0.027 63.194 63.200 0.036 0.000 0.766 403 S HN 0.714 nan 8.310 nan 0.000 0.528 404 E N 1.738 121.968 120.200 0.050 0.000 2.338 404 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 404 E C 1.416 178.062 176.600 0.076 0.000 1.007 404 E CA 0.623 57.061 56.400 0.063 0.000 0.849 404 E CB -0.055 29.684 29.700 0.065 0.000 0.774 404 E HN 0.365 nan 8.360 nan 0.000 0.506 405 R N 0.330 120.866 120.500 0.060 0.000 2.062 405 R HA 0.152 4.491 4.340 -0.000 0.000 0.218 405 R C 2.505 178.820 176.300 0.025 0.000 1.161 405 R CA 0.191 56.317 56.100 0.045 0.000 0.994 405 R CB -0.860 29.449 30.300 0.015 0.000 0.888 405 R HN 0.166 nan 8.270 nan 0.000 0.442 406 L N 1.611 122.842 121.223 0.015 0.000 2.127 406 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 406 L C 2.510 179.404 176.870 0.039 0.000 1.089 406 L CA 1.806 56.659 54.840 0.021 0.000 0.757 406 L CB -1.695 40.374 42.059 0.016 0.000 0.899 406 L HN 0.165 nan 8.230 nan 0.000 0.434 407 A N -0.106 122.739 122.820 0.043 0.000 1.958 407 A HA -0.270 4.049 4.320 -0.000 0.000 0.221 407 A C 2.381 179.994 177.584 0.049 0.000 1.178 407 A CA 2.047 54.113 52.037 0.048 0.000 0.642 407 A CB -0.345 18.687 19.000 0.053 0.000 0.816 407 A HN 0.280 nan 8.150 nan 0.000 0.453 408 K N -0.340 120.090 120.400 0.050 0.000 2.076 408 K HA 0.176 4.496 4.320 -0.000 0.000 0.204 408 K C 1.774 178.401 176.600 0.045 0.000 1.051 408 K CA 0.931 57.242 56.287 0.040 0.000 0.949 408 K CB -0.476 32.048 32.500 0.041 0.000 0.726 408 K HN 0.479 nan 8.250 nan 0.000 0.443 409 L N 1.028 122.300 121.223 0.082 0.000 2.083 409 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 409 L C 1.702 178.679 176.870 0.179 0.000 1.083 409 L CA 0.979 55.928 54.840 0.182 0.000 0.752 409 L CB -0.471 41.672 42.059 0.140 0.000 0.899 409 L HN 0.224 nan 8.230 nan 0.000 0.433 410 N N -0.210 118.549 118.700 0.098 0.000 2.188 410 N HA -0.219 4.521 4.740 -0.000 0.000 0.184 410 N C 1.883 177.423 175.510 0.049 0.000 1.018 410 N CA 1.038 54.135 53.050 0.078 0.000 0.858 410 N CB -0.213 38.306 38.487 0.053 0.000 0.989 410 N HN 0.278 nan 8.380 nan 0.000 0.426 411 Q N 0.901 120.716 119.800 0.025 0.000 2.124 411 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 411 Q C 1.966 177.922 176.000 -0.075 0.000 0.977 411 Q CA 1.061 56.859 55.803 -0.008 0.000 0.850 411 Q CB -0.320 28.416 28.738 -0.004 0.000 0.901 411 Q HN 0.369 nan 8.270 nan 0.000 0.429 412 L N -0.462 120.685 121.223 -0.127 0.000 2.083 412 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 412 L C 2.235 178.950 176.870 -0.258 0.000 1.083 412 L CA 0.811 55.431 54.840 -0.366 0.000 0.752 412 L CB -0.392 41.194 42.059 -0.790 0.000 0.899 412 L HN 0.288 nan 8.230 nan 0.000 0.433 413 L N -0.779 120.465 121.223 0.034 0.000 2.046 413 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 413 L C 2.836 179.714 176.870 0.014 0.000 1.077 413 L CA 1.257 56.170 54.840 0.121 0.000 0.747 413 L CB -0.459 41.691 42.059 0.151 0.000 0.896 413 L HN 0.207 nan 8.230 nan 0.000 0.432 414 R N 0.026 120.522 120.500 -0.007 0.000 2.081 414 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 414 R C 2.273 178.539 176.300 -0.056 0.000 1.131 414 R CA 1.327 57.418 56.100 -0.014 0.000 0.960 414 R CB -0.362 29.941 30.300 0.005 0.000 0.856 414 R HN 0.337 nan 8.270 nan 0.000 0.436 415 I N 0.627 121.118 120.570 -0.131 0.000 2.179 415 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 415 I C 2.640 178.589 176.117 -0.280 0.000 1.088 415 I CA 1.292 62.425 61.300 -0.279 0.000 1.357 415 I CB -0.360 37.365 38.000 -0.458 0.000 1.051 415 I HN 0.288 nan 8.210 nan 0.000 0.409 416 E N 1.180 121.256 120.200 -0.206 0.000 2.085 416 E HA -0.316 4.034 4.350 -0.000 0.000 0.194 416 E C 2.133 178.695 176.600 -0.064 0.000 0.994 416 E CA 1.680 58.008 56.400 -0.119 0.000 0.801 416 E CB -0.060 29.628 29.700 -0.020 0.000 0.743 416 E HN 0.476 nan 8.360 nan 0.000 0.453 417 E N 0.418 120.594 120.200 -0.040 0.000 2.072 417 E HA -0.254 4.095 4.350 -0.000 0.000 0.191 417 E C 2.058 178.650 176.600 -0.013 0.000 0.985 417 E CA 1.259 57.651 56.400 -0.013 0.000 0.801 417 E CB -0.078 29.623 29.700 0.001 0.000 0.750 417 E HN 0.314 nan 8.360 nan 0.000 0.452 418 E N 0.080 120.265 120.200 -0.024 0.000 2.153 418 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 418 E C 2.140 178.742 176.600 0.003 0.000 0.988 418 E CA 0.884 57.286 56.400 0.004 0.000 0.811 418 E CB 0.061 29.781 29.700 0.034 0.000 0.746 418 E HN 0.325 nan 8.360 nan 0.000 0.466 419 L N -0.583 120.609 121.223 -0.052 0.000 2.307 419 L HA 0.164 4.503 4.340 -0.000 0.000 0.211 419 L C 1.718 178.598 176.870 0.018 0.000 1.099 419 L CA 0.233 55.054 54.840 -0.031 0.000 0.816 419 L CB -0.546 41.429 42.059 -0.140 0.000 0.952 419 L HN 0.349 nan 8.230 nan 0.000 0.455 420 G N 1.202 110.006 108.800 0.007 0.000 2.652 420 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.318 420 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.318 420 G C 0.452 175.374 174.900 0.038 0.000 1.295 420 G CA 0.682 45.796 45.100 0.023 0.000 0.999 420 G HN 0.350 nan 8.290 nan 0.000 0.548 421 D N 1.658 122.084 120.400 0.044 0.000 2.384 421 D HA -0.025 4.615 4.640 -0.000 0.000 0.222 421 D C 1.856 178.195 176.300 0.065 0.000 0.976 421 D CA 0.781 54.810 54.000 0.050 0.000 0.915 421 D CB -0.256 40.569 40.800 0.042 0.000 0.896 421 D HN 0.389 nan 8.370 nan 0.000 0.523 422 N N 0.263 119.014 118.700 0.085 0.000 2.461 422 N HA 0.101 4.841 4.740 -0.000 0.000 0.188 422 N C 0.177 175.793 175.510 0.178 0.000 1.134 422 N CA 0.135 53.263 53.050 0.130 0.000 0.878 422 N CB 0.749 39.342 38.487 0.177 0.000 0.972 422 N HN 0.074 nan 8.380 nan 0.000 0.456 423 A N 0.367 123.260 122.820 0.123 0.000 2.435 423 A HA 0.631 4.951 4.320 -0.000 0.000 0.304 423 A C -0.163 177.484 177.584 0.104 0.000 1.064 423 A CA -0.665 51.447 52.037 0.124 0.000 0.727 423 A CB 1.556 20.589 19.000 0.056 0.000 1.284 423 A HN -0.052 nan 8.150 nan 0.000 0.415 424 V N -0.823 119.160 119.914 0.114 0.000 2.919 424 V HA 0.836 4.955 4.120 -0.000 0.000 0.316 424 V C -0.380 175.836 176.094 0.202 0.000 1.077 424 V CA -0.947 61.434 62.300 0.135 0.000 0.977 424 V CB 1.450 33.333 31.823 0.099 0.000 1.039 424 V HN 0.902 nan 8.190 nan 0.000 0.441 425 F N 2.671 122.663 119.950 0.069 0.000 2.396 425 F HA 0.714 5.241 4.527 -0.000 0.000 0.343 425 F C 1.236 177.096 175.800 0.100 0.000 1.104 425 F CA -0.217 57.840 58.000 0.095 0.000 1.161 425 F CB 1.543 40.601 39.000 0.097 0.000 1.146 425 F HN 0.835 nan 8.300 nan 0.000 0.522 426 A N 4.869 127.411 122.820 -0.463 0.000 1.933 426 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 426 A C 1.935 179.308 177.584 -0.352 0.000 1.175 426 A CA 1.422 53.266 52.037 -0.321 0.000 0.628 426 A CB -1.547 17.344 19.000 -0.182 0.000 0.814 426 A HN 1.642 nan 8.150 nan 0.000 0.444 427 G N -1.643 106.661 108.800 -0.826 0.000 2.622 427 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.307 427 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.307 427 G C 1.097 176.014 174.900 0.030 0.000 1.226 427 G CA 2.020 46.947 45.100 -0.288 0.000 0.997 427 G HN 1.417 nan 8.290 nan 0.000 0.551 428 E N 0.330 120.593 120.200 0.105 0.000 2.333 428 E HA -0.058 4.292 4.350 -0.000 0.000 0.198 428 E C 1.891 178.583 176.600 0.153 0.000 1.007 428 E CA 1.684 58.191 56.400 0.179 0.000 0.845 428 E CB -0.388 29.379 29.700 0.113 0.000 0.766 428 E HN 0.543 nan 8.360 nan 0.000 0.507 429 N N -0.168 118.579 118.700 0.078 0.000 2.295 429 N HA 0.108 4.847 4.740 -0.000 0.000 0.221 429 N C 1.193 176.681 175.510 -0.036 0.000 1.129 429 N CA 0.371 53.418 53.050 -0.006 0.000 0.836 429 N CB -0.174 38.320 38.487 0.012 0.000 1.040 429 N HN 0.649 nan 8.380 nan 0.000 0.494 430 F N 0.453 120.414 119.950 0.018 0.000 2.154 430 F HA -0.198 4.328 4.527 -0.000 0.000 0.301 430 F C 2.369 178.212 175.800 0.071 0.000 1.087 430 F CA 1.198 59.224 58.000 0.044 0.000 1.274 430 F CB -0.729 38.350 39.000 0.131 0.000 1.009 430 F HN 0.087 nan 8.300 nan 0.000 0.485 431 H N 0.074 118.577 119.070 -0.944 0.000 2.319 431 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 431 H C 0.506 175.581 175.328 -0.422 0.000 1.092 431 H CA 2.258 57.871 56.048 -0.724 0.000 1.302 431 H CB -0.635 28.559 29.762 -0.946 0.000 1.373 431 H HN 0.546 nan 8.280 nan 0.000 0.497 432 H N -0.850 118.095 119.070 -0.210 0.000 2.507 432 H HA 0.255 4.811 4.556 -0.000 0.000 0.271 432 H C 1.628 176.879 175.328 -0.128 0.000 1.224 432 H CA 0.087 56.029 56.048 -0.178 0.000 1.000 432 H CB 0.621 30.306 29.762 -0.128 0.000 1.663 432 H HN 0.484 nan 8.280 nan 0.000 0.548 433 G N 0.927 109.723 108.800 -0.007 0.000 2.475 433 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 433 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 433 G C 1.584 176.425 174.900 -0.098 0.000 1.125 433 G CA 1.219 46.307 45.100 -0.020 0.000 0.755 433 G HN 0.598 nan 8.290 nan 0.000 0.565 434 D N 0.597 120.858 120.400 -0.230 0.000 2.264 434 D HA -0.059 4.580 4.640 -0.000 0.000 0.208 434 D C 1.747 177.874 176.300 -0.289 0.000 0.966 434 D CA 0.783 54.522 54.000 -0.434 0.000 0.864 434 D CB -0.237 39.870 40.800 -1.155 0.000 0.933 434 D HN 0.314 nan 8.370 nan 0.000 0.499 435 K N -0.177 120.115 120.400 -0.181 0.000 2.372 435 K HA 0.275 4.595 4.320 -0.000 0.000 0.200 435 K C 0.451 176.997 176.600 -0.090 0.000 1.022 435 K CA -0.305 55.899 56.287 -0.138 0.000 1.125 435 K CB 0.701 33.114 32.500 -0.145 0.000 0.855 435 K HN 0.079 nan 8.250 nan 0.000 0.524 436 L N 2.295 123.475 121.223 -0.071 0.000 2.513 436 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 436 L C 0.083 176.924 176.870 -0.047 0.000 1.187 436 L CA -0.181 54.633 54.840 -0.043 0.000 0.895 436 L CB 0.324 42.367 42.059 -0.026 0.000 1.147 436 L HN 0.108 nan 8.230 nan 0.000 0.483 437 L N 4.487 125.689 121.223 -0.035 0.000 2.584 437 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 437 L C 0.534 177.385 176.870 -0.032 0.000 1.195 437 L CA 0.494 55.312 54.840 -0.035 0.000 0.920 437 L CB -0.585 41.460 42.059 -0.024 0.000 1.173 437 L HN 0.879 nan 8.230 nan 0.000 0.489 438 H N 0.000 119.044 119.070 -0.044 0.000 2.539 438 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 438 H CA 0.000 nan 56.048 nan 0.000 1.023 438 H CB 0.000 nan 29.762 nan 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496