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 3p2d_1_B DATA FIRST_RESID 6 DATA SEQUENCE GTRVFKKSSP NCKLTVYLGK RDFVDHLDKV DPVDGVVLVD PDYLKDRKVF DATA SEQUENCE VTLTCAFRYG REDLDVLGLS FRKDLFIANY QAFPPTPNPP RPPTRLQERL DATA SEQUENCE LRKLGQHAHP FFFTIPQNLP CSVTLQPGPE DTGKACGVDF EIRAFCAKSL DATA SEQUENCE EEKSHKRNSV RLVIRKVQFA PEKPGPQPSA ETTRHFLMSD RSLHLEASLD DATA SEQUENCE KELYYHGEPL NVNVHVTNNS TKTVKKIKVS VRQYADICLF STAQYKCPVA DATA SEQUENCE QVEQDDQVSP SSTFCKVYTI TPLLSNNREK RGLALDGKLK HEDTNLASST DATA SEQUENCE IVKEGANKEV LGILVSYRVK VKLVVSRGGD VSVELPFVLM HPKXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXD IVFEDFAR 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.882 174.900 -0.031 0.000 0.946 6 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 7 T N 0.410 114.942 114.554 -0.035 0.000 2.924 7 T HA 0.742 5.092 4.350 -0.000 0.000 0.291 7 T C -1.000 173.666 174.700 -0.057 0.000 1.045 7 T CA -0.425 61.651 62.100 -0.040 0.000 1.015 7 T CB 2.061 70.910 68.868 -0.032 0.000 1.103 7 T HN 0.455 nan 8.240 nan 0.000 0.496 8 R N 1.566 122.004 120.500 -0.103 0.000 2.532 8 R HA 0.740 5.079 4.340 -0.000 0.000 0.297 8 R C -1.870 174.179 176.300 -0.419 0.000 0.984 8 R CA -0.510 55.452 56.100 -0.229 0.000 0.884 8 R CB 1.568 31.712 30.300 -0.260 0.000 1.182 8 R HN 0.389 nan 8.270 nan 0.000 0.442 9 V N 5.119 124.772 119.914 -0.434 0.000 2.638 9 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 9 V C -1.024 174.731 176.094 -0.564 0.000 1.052 9 V CA -0.748 61.278 62.300 -0.456 0.000 0.885 9 V CB 1.859 33.602 31.823 -0.134 0.000 0.999 9 V HN 0.566 nan 8.190 nan 0.000 0.424 10 F N 3.933 123.891 119.950 0.012 0.000 2.408 10 F HA 0.678 5.205 4.527 -0.000 0.000 0.344 10 F C 0.395 176.247 175.800 0.086 0.000 1.112 10 F CA -0.642 57.398 58.000 0.066 0.000 1.096 10 F CB 1.270 40.312 39.000 0.070 0.000 1.129 10 F HN 0.430 nan 8.300 nan 0.000 0.486 11 K N 2.079 122.595 120.400 0.193 0.000 2.507 11 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 11 K C -1.568 175.034 176.600 0.003 0.000 0.943 11 K CA -1.091 55.148 56.287 -0.080 0.000 0.794 11 K CB 2.638 35.023 32.500 -0.192 0.000 1.188 11 K HN 0.628 nan 8.250 nan 0.000 0.428 12 K N 2.237 122.554 120.400 -0.138 0.000 2.471 12 K HA 0.278 4.598 4.320 -0.000 0.000 0.252 12 K C -1.155 175.348 176.600 -0.162 0.000 0.938 12 K CA -0.500 55.724 56.287 -0.104 0.000 0.796 12 K CB 1.840 34.241 32.500 -0.164 0.000 1.161 12 K HN 0.883 nan 8.250 nan 0.000 0.425 13 S N 1.730 117.378 115.700 -0.087 0.000 2.617 13 S HA 0.311 4.781 4.470 -0.000 0.000 0.283 13 S C 0.159 174.749 174.600 -0.016 0.000 1.189 13 S CA -0.817 57.347 58.200 -0.060 0.000 1.036 13 S CB 1.386 64.581 63.200 -0.009 0.000 1.014 13 S HN 0.717 nan 8.310 nan 0.000 0.522 14 S N 1.569 117.274 115.700 0.009 0.000 2.563 14 S HA 0.132 4.602 4.470 -0.000 0.000 0.269 14 S C -1.510 173.115 174.600 0.041 0.000 1.364 14 S CA -0.589 57.633 58.200 0.037 0.000 1.010 14 S CB -0.183 63.056 63.200 0.066 0.000 0.877 14 S HN 0.679 nan 8.310 nan 0.000 0.549 15 P HA -0.002 nan 4.420 nan 0.000 0.231 15 P C 0.683 178.014 177.300 0.052 0.000 1.168 15 P CA 1.062 64.189 63.100 0.045 0.000 0.779 15 P CB -0.480 31.246 31.700 0.043 0.000 0.844 16 N N 0.630 119.367 118.700 0.062 0.000 2.354 16 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 16 N C 0.444 175.996 175.510 0.071 0.000 1.021 16 N CA 0.693 53.783 53.050 0.067 0.000 0.887 16 N CB -0.685 37.847 38.487 0.076 0.000 0.974 16 N HN 0.126 nan 8.380 nan 0.000 0.437 17 C N -1.834 117.510 119.300 0.074 0.000 3.493 17 C HA 0.519 4.979 4.460 -0.000 0.000 0.228 17 C C 0.446 175.482 174.990 0.077 0.000 1.227 17 C CA -1.511 57.550 59.018 0.072 0.000 1.291 17 C CB -0.266 27.509 27.740 0.059 0.000 1.820 17 C HN 0.154 nan 8.230 nan 0.000 0.547 18 K N 0.213 120.668 120.400 0.092 0.000 2.400 18 K HA 0.174 4.494 4.320 -0.000 0.000 0.194 18 K C 0.458 177.107 176.600 0.080 0.000 1.033 18 K CA 0.336 56.670 56.287 0.078 0.000 1.021 18 K CB 0.235 32.786 32.500 0.085 0.000 0.808 18 K HN 0.469 nan 8.250 nan 0.000 0.505 19 L N 0.918 122.194 121.223 0.089 0.000 2.307 19 L HA 0.382 4.722 4.340 -0.000 0.000 0.284 19 L C -0.891 176.013 176.870 0.056 0.000 1.023 19 L CA 0.183 55.077 54.840 0.090 0.000 0.810 19 L CB 1.561 43.681 42.059 0.102 0.000 1.231 19 L HN -0.120 nan 8.230 nan 0.000 0.423 20 T N 3.785 118.363 114.554 0.040 0.000 2.956 20 T HA 0.655 5.005 4.350 -0.000 0.000 0.312 20 T C -1.024 173.529 174.700 -0.246 0.000 1.151 20 T CA -0.467 61.565 62.100 -0.114 0.000 1.024 20 T CB 2.009 70.819 68.868 -0.097 0.000 1.140 20 T HN 0.286 nan 8.240 nan 0.000 0.473 21 V N 2.478 122.133 119.914 -0.432 0.000 2.715 21 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 21 V C -1.480 174.255 176.094 -0.598 0.000 1.054 21 V CA -0.951 61.180 62.300 -0.282 0.000 0.928 21 V CB 1.428 33.245 31.823 -0.010 0.000 1.007 21 V HN 0.883 nan 8.190 nan 0.000 0.437 22 Y N 3.532 123.877 120.300 0.074 0.000 2.477 22 Y HA 0.839 5.389 4.550 -0.000 0.000 0.347 22 Y C -0.405 175.563 175.900 0.112 0.000 0.981 22 Y CA -0.837 57.264 58.100 0.003 0.000 1.033 22 Y CB 2.056 40.428 38.460 -0.147 0.000 1.245 22 Y HN 0.411 nan 8.280 nan 0.000 0.455 23 L N 0.609 122.030 121.223 0.331 0.000 2.506 23 L HA 0.527 4.867 4.340 -0.000 0.000 0.257 23 L C 0.821 177.906 176.870 0.360 0.000 0.964 23 L CA -0.623 54.443 54.840 0.377 0.000 0.836 23 L CB 2.554 44.928 42.059 0.524 0.000 1.384 23 L HN 0.878 nan 8.230 nan 0.000 0.410 24 G N 1.384 110.340 108.800 0.260 0.000 2.496 24 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.214 24 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.214 24 G C 0.451 175.516 174.900 0.275 0.000 1.234 24 G CA 0.291 45.500 45.100 0.181 0.000 0.807 24 G HN 0.490 nan 8.290 nan 0.000 0.543 25 K N -0.468 119.967 120.400 0.058 0.000 2.098 25 K HA 0.447 4.767 4.320 -0.000 0.000 0.244 25 K C 0.927 177.373 176.600 -0.257 0.000 1.014 25 K CA -0.689 55.491 56.287 -0.179 0.000 0.917 25 K CB 1.664 33.750 32.500 -0.690 0.000 1.072 25 K HN -0.025 nan 8.250 nan 0.000 0.477 26 R N 0.148 120.353 120.500 -0.491 0.000 2.225 26 R HA 0.049 4.389 4.340 -0.000 0.000 0.194 26 R C -0.466 175.702 176.300 -0.220 0.000 0.957 26 R CA 0.630 56.397 56.100 -0.555 0.000 1.042 26 R CB 0.627 30.381 30.300 -0.911 0.000 1.004 26 R HN 0.643 nan 8.270 nan 0.000 0.509 27 D N -0.971 119.236 120.400 -0.322 0.000 2.575 27 D HA 0.306 4.946 4.640 -0.000 0.000 0.236 27 D C -1.097 174.999 176.300 -0.340 0.000 1.075 27 D CA -0.277 53.643 54.000 -0.134 0.000 0.860 27 D CB 1.691 42.418 40.800 -0.122 0.000 1.475 27 D HN -0.181 nan 8.370 nan 0.000 0.474 28 F N -0.023 119.864 119.950 -0.105 0.000 2.551 28 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 28 F C 0.070 175.825 175.800 -0.075 0.000 1.089 28 F CA -1.049 56.905 58.000 -0.076 0.000 0.915 28 F CB 1.751 40.693 39.000 -0.097 0.000 1.186 28 F HN -0.089 nan 8.300 nan 0.000 0.456 29 V N 2.285 122.296 119.914 0.161 0.000 2.394 29 V HA 0.197 4.317 4.120 -0.000 0.000 0.282 29 V C -0.350 175.928 176.094 0.306 0.000 1.031 29 V CA -0.753 61.658 62.300 0.186 0.000 0.881 29 V CB 1.446 33.384 31.823 0.192 0.000 0.982 29 V HN 0.660 nan 8.190 nan 0.000 0.451 30 D N 3.304 123.844 120.400 0.234 0.000 2.295 30 D HA 0.157 4.797 4.640 -0.000 0.000 0.248 30 D C 0.573 177.095 176.300 0.369 0.000 1.154 30 D CA -0.174 53.971 54.000 0.242 0.000 0.857 30 D CB 0.660 41.539 40.800 0.132 0.000 1.117 30 D HN 0.693 nan 8.370 nan 0.000 0.468 31 H N 3.659 122.814 119.070 0.141 0.000 2.529 31 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 31 H C 1.047 176.460 175.328 0.140 0.000 1.004 31 H CA -0.345 55.820 56.048 0.195 0.000 1.167 31 H CB 0.989 30.847 29.762 0.160 0.000 1.445 31 H HN 0.399 nan 8.280 nan 0.000 0.554 32 L N 0.192 121.543 121.223 0.212 0.000 3.467 32 L HA -0.441 3.899 4.340 -0.000 0.000 0.185 32 L C 1.947 178.890 176.870 0.120 0.000 4.356 32 L CA 2.101 57.020 54.840 0.131 0.000 0.777 32 L CB -1.179 40.937 42.059 0.095 0.000 3.491 32 L HN 0.403 nan 8.230 nan 0.000 0.841 33 D N 1.265 121.747 120.400 0.137 0.000 2.263 33 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 33 D C 0.541 176.888 176.300 0.078 0.000 0.971 33 D CA 1.975 56.035 54.000 0.101 0.000 0.867 33 D CB -0.093 40.768 40.800 0.102 0.000 0.929 33 D HN 0.732 nan 8.370 nan 0.000 0.492 34 K N -1.644 118.807 120.400 0.085 0.000 2.639 34 K HA 0.494 4.814 4.320 -0.000 0.000 0.279 34 K C -1.735 174.843 176.600 -0.037 0.000 0.976 34 K CA -0.993 55.295 56.287 0.003 0.000 0.861 34 K CB 1.573 34.037 32.500 -0.060 0.000 1.436 34 K HN -0.157 nan 8.250 nan 0.000 0.400 35 V N 1.071 120.962 119.914 -0.039 0.000 2.513 35 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 35 V C -0.462 175.617 176.094 -0.026 0.000 1.035 35 V CA -0.873 61.421 62.300 -0.011 0.000 0.889 35 V CB 1.573 33.393 31.823 -0.005 0.000 0.988 35 V HN 0.752 nan 8.190 nan 0.000 0.440 36 D N 4.959 125.377 120.400 0.029 0.000 2.583 36 D HA 0.098 4.737 4.640 -0.000 0.000 0.232 36 D C -2.303 174.119 176.300 0.202 0.000 1.128 36 D CA -0.251 53.814 54.000 0.108 0.000 0.859 36 D CB 0.556 41.473 40.800 0.194 0.000 1.169 36 D HN 0.348 nan 8.370 nan 0.000 0.481 37 P HA 0.110 nan 4.420 nan 0.000 0.278 37 P C -0.538 176.943 177.300 0.301 0.000 1.238 37 P CA -0.566 62.641 63.100 0.179 0.000 0.794 37 P CB 0.735 32.515 31.700 0.134 0.000 0.955 38 V N 3.306 123.366 119.914 0.243 0.000 2.353 38 V HA 0.173 4.293 4.120 -0.000 0.000 0.264 38 V C -0.346 175.940 176.094 0.320 0.000 1.049 38 V CA -0.149 62.341 62.300 0.317 0.000 0.896 38 V CB 0.040 31.983 31.823 0.199 0.000 1.025 38 V HN 0.581 nan 8.190 nan 0.000 0.475 39 D N 3.542 124.127 120.400 0.308 0.000 2.381 39 D HA 0.676 5.316 4.640 -0.000 0.000 0.235 39 D C 0.256 176.632 176.300 0.127 0.000 1.068 39 D CA -0.267 53.828 54.000 0.157 0.000 0.832 39 D CB 1.910 42.766 40.800 0.093 0.000 1.101 39 D HN 0.558 nan 8.370 nan 0.000 0.515 40 G N -0.068 108.649 108.800 -0.139 0.000 3.015 40 G HA2 0.683 4.642 3.960 -0.000 0.000 0.281 40 G HA3 0.683 4.642 3.960 -0.000 0.000 0.281 40 G C -1.415 173.087 174.900 -0.664 0.000 1.386 40 G CA -0.970 43.920 45.100 -0.349 0.000 0.959 40 G HN 0.432 nan 8.290 nan 0.000 0.522 41 V N -0.578 119.080 119.914 -0.426 0.000 2.777 41 V HA 0.594 4.713 4.120 -0.000 0.000 0.306 41 V C -0.882 175.272 176.094 0.100 0.000 1.112 41 V CA -0.705 61.467 62.300 -0.214 0.000 0.917 41 V CB 1.595 33.388 31.823 -0.050 0.000 1.018 41 V HN 0.683 nan 8.190 nan 0.000 0.426 42 V N 5.644 125.629 119.914 0.119 0.000 2.715 42 V HA 0.777 4.897 4.120 -0.000 0.000 0.310 42 V C -1.315 174.932 176.094 0.255 0.000 1.054 42 V CA -0.662 61.802 62.300 0.273 0.000 0.928 42 V CB 1.990 34.023 31.823 0.350 0.000 1.007 42 V HN 0.752 nan 8.190 nan 0.000 0.437 43 L N 6.593 127.981 121.223 0.276 0.000 2.415 43 L HA 0.790 5.130 4.340 -0.000 0.000 0.268 43 L C -1.204 175.769 176.870 0.173 0.000 0.984 43 L CA 0.094 55.080 54.840 0.244 0.000 0.853 43 L CB 1.615 43.882 42.059 0.345 0.000 1.215 43 L HN 0.486 nan 8.230 nan 0.000 0.419 44 V N 4.124 124.112 119.914 0.125 0.000 2.925 44 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 44 V C -0.356 175.697 176.094 -0.067 0.000 1.104 44 V CA -0.555 61.762 62.300 0.029 0.000 0.954 44 V CB 1.954 33.789 31.823 0.019 0.000 1.022 44 V HN 0.705 nan 8.190 nan 0.000 0.427 45 D N 2.019 122.286 120.400 -0.223 0.000 3.194 45 D HA 0.169 4.809 4.640 -0.000 0.000 0.290 45 D C -1.231 174.814 176.300 -0.425 0.000 1.280 45 D CA 0.518 54.278 54.000 -0.400 0.000 1.058 45 D CB -0.210 40.174 40.800 -0.694 0.000 1.241 45 D HN 0.435 nan 8.370 nan 0.000 0.421 46 P HA -0.129 nan 4.420 nan 0.000 0.227 46 P C -0.315 176.584 177.300 -0.667 0.000 1.142 46 P CA 1.610 64.272 63.100 -0.730 0.000 0.782 46 P CB -0.439 30.486 31.700 -1.292 0.000 0.769 47 D N -4.831 115.325 120.400 -0.408 0.000 2.907 47 D HA -0.206 4.434 4.640 -0.000 0.000 0.226 47 D C -0.981 175.367 176.300 0.079 0.000 1.141 47 D CA 0.264 54.188 54.000 -0.128 0.000 0.779 47 D CB -2.000 38.774 40.800 -0.043 0.000 1.095 47 D HN 0.111 nan 8.370 nan 0.000 0.430 48 Y N 0.271 120.585 120.300 0.024 0.000 2.587 48 Y HA 0.343 4.893 4.550 -0.000 0.000 0.344 48 Y C 1.235 177.183 175.900 0.081 0.000 1.061 48 Y CA -0.437 57.691 58.100 0.046 0.000 1.370 48 Y CB 0.438 38.919 38.460 0.036 0.000 1.163 48 Y HN 0.289 nan 8.280 nan 0.000 0.527 49 L N 4.547 125.924 121.223 0.257 0.000 2.913 49 L HA 0.175 4.515 4.340 -0.000 0.000 0.283 49 L C 0.636 177.609 176.870 0.171 0.000 1.336 49 L CA 0.104 55.092 54.840 0.248 0.000 0.815 49 L CB -0.160 41.960 42.059 0.102 0.000 1.188 49 L HN 0.775 nan 8.230 nan 0.000 0.551 50 K N -1.058 119.447 120.400 0.175 0.000 8.623 50 K HA -0.291 4.029 4.320 -0.000 0.000 0.494 50 K C 0.701 177.358 176.600 0.095 0.000 0.366 50 K CA 2.372 58.734 56.287 0.125 0.000 1.954 50 K CB -0.872 31.684 32.500 0.093 0.000 0.699 50 K HN 0.433 nan 8.250 nan 0.000 0.968 51 D N 0.614 121.065 120.400 0.085 0.000 2.213 51 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 51 D C 0.752 177.097 176.300 0.075 0.000 0.961 51 D CA 0.750 54.787 54.000 0.062 0.000 0.853 51 D CB 0.037 40.868 40.800 0.052 0.000 0.967 51 D HN 0.301 nan 8.370 nan 0.000 0.496 52 R N 0.990 121.555 120.500 0.108 0.000 2.615 52 R HA 0.318 4.658 4.340 -0.000 0.000 0.270 52 R C 0.701 177.069 176.300 0.112 0.000 1.081 52 R CA 0.040 56.218 56.100 0.129 0.000 1.154 52 R CB 1.138 31.532 30.300 0.156 0.000 1.063 52 R HN -0.074 nan 8.270 nan 0.000 0.519 53 K N 0.350 120.802 120.400 0.087 0.000 2.303 53 K HA 0.470 4.790 4.320 -0.000 0.000 0.233 53 K C -0.901 175.656 176.600 -0.071 0.000 1.046 53 K CA -0.887 55.352 56.287 -0.081 0.000 0.895 53 K CB 1.743 33.998 32.500 -0.409 0.000 1.220 53 K HN 0.148 nan 8.250 nan 0.000 0.470 54 V N 2.230 122.021 119.914 -0.206 0.000 2.357 54 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 54 V C -1.049 174.772 176.094 -0.455 0.000 1.018 54 V CA -0.642 61.550 62.300 -0.180 0.000 0.841 54 V CB 0.332 32.148 31.823 -0.011 0.000 0.991 54 V HN 0.500 nan 8.190 nan 0.000 0.437 55 F N 3.386 123.114 119.950 -0.370 0.000 2.480 55 F HA 0.741 5.268 4.527 -0.000 0.000 0.329 55 F C 0.014 175.589 175.800 -0.375 0.000 1.091 55 F CA -0.807 56.909 58.000 -0.474 0.000 0.972 55 F CB 2.221 40.692 39.000 -0.882 0.000 1.150 55 F HN 0.170 nan 8.300 nan 0.000 0.467 56 V N 1.761 121.733 119.914 0.098 0.000 2.656 56 V HA 0.608 4.728 4.120 -0.000 0.000 0.307 56 V C -0.554 175.768 176.094 0.380 0.000 1.051 56 V CA -0.495 61.894 62.300 0.147 0.000 0.893 56 V CB 2.282 34.082 31.823 -0.039 0.000 0.999 56 V HN 0.795 nan 8.190 nan 0.000 0.426 57 T N 4.575 119.305 114.554 0.293 0.000 2.916 57 T HA 0.606 4.956 4.350 -0.000 0.000 0.298 57 T C -1.549 173.038 174.700 -0.187 0.000 1.031 57 T CA -0.300 61.883 62.100 0.140 0.000 0.993 57 T CB 1.321 70.315 68.868 0.209 0.000 1.045 57 T HN 0.465 nan 8.240 nan 0.000 0.454 58 L N 4.662 125.563 121.223 -0.536 0.000 2.316 58 L HA 0.654 4.994 4.340 -0.000 0.000 0.280 58 L C -0.484 176.290 176.870 -0.161 0.000 1.006 58 L CA 0.068 54.576 54.840 -0.553 0.000 0.836 58 L CB 1.342 42.727 42.059 -1.122 0.000 1.221 58 L HN 0.607 nan 8.230 nan 0.000 0.418 59 T N 3.915 118.412 114.554 -0.095 0.000 2.788 59 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 59 T C -0.556 174.072 174.700 -0.121 0.000 1.009 59 T CA -0.314 61.752 62.100 -0.057 0.000 0.949 59 T CB 0.629 69.451 68.868 -0.076 0.000 0.946 59 T HN 0.704 nan 8.240 nan 0.000 0.453 60 C N 4.422 123.634 119.300 -0.146 0.000 2.285 60 C HA 0.878 5.338 4.460 -0.000 0.000 0.335 60 C C 0.179 175.005 174.990 -0.274 0.000 1.267 60 C CA -0.185 58.535 59.018 -0.496 0.000 1.762 60 C CB -1.867 25.439 27.740 -0.723 0.000 2.365 60 C HN 1.046 nan 8.230 nan 0.000 0.527 61 A N 5.360 128.022 122.820 -0.263 0.000 2.574 61 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 61 A C -1.268 176.304 177.584 -0.020 0.000 1.062 61 A CA -0.466 51.509 52.037 -0.102 0.000 0.686 61 A CB 0.860 19.800 19.000 -0.100 0.000 1.285 61 A HN 1.075 nan 8.150 nan 0.000 0.403 62 F N 2.117 122.035 119.950 -0.055 0.000 2.394 62 F HA 0.726 5.253 4.527 -0.000 0.000 0.340 62 F C 0.547 176.376 175.800 0.048 0.000 1.105 62 F CA -0.173 57.844 58.000 0.028 0.000 1.124 62 F CB 1.020 40.086 39.000 0.110 0.000 1.145 62 F HN 0.681 nan 8.300 nan 0.000 0.505 63 R N 4.858 124.948 120.500 -0.684 0.000 2.725 63 R HA 0.597 4.937 4.340 -0.000 0.000 0.277 63 R C -2.260 173.730 176.300 -0.516 0.000 0.987 63 R CA -1.089 54.771 56.100 -0.399 0.000 0.901 63 R CB 1.814 31.953 30.300 -0.267 0.000 1.207 63 R HN 0.742 nan 8.270 nan 0.000 0.463 64 Y N 0.460 120.569 120.300 -0.318 0.000 2.401 64 Y HA 0.516 5.065 4.550 -0.000 0.000 0.330 64 Y C 0.301 176.133 175.900 -0.113 0.000 1.071 64 Y CA 0.302 58.282 58.100 -0.199 0.000 1.049 64 Y CB 2.124 40.562 38.460 -0.037 0.000 1.239 64 Y HN 0.942 nan 8.280 nan 0.000 0.437 65 G N 3.804 112.348 108.800 -0.427 0.000 3.006 65 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.195 65 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.195 65 G C -0.480 174.297 174.900 -0.206 0.000 1.034 65 G CA -0.206 44.757 45.100 -0.228 0.000 0.807 65 G HN 0.661 nan 8.290 nan 0.000 0.469 66 R N -0.491 119.887 120.500 -0.203 0.000 2.766 66 R HA 0.607 4.947 4.340 -0.000 0.000 0.270 66 R C 0.337 176.544 176.300 -0.154 0.000 1.035 66 R CA -0.035 55.976 56.100 -0.148 0.000 0.911 66 R CB 0.930 31.169 30.300 -0.102 0.000 1.243 66 R HN 0.103 nan 8.270 nan 0.000 0.460 67 E N -0.355 119.774 120.200 -0.118 0.000 2.447 67 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 67 E C -0.106 176.439 176.600 -0.093 0.000 1.028 67 E CA 0.726 57.059 56.400 -0.112 0.000 0.876 67 E CB 0.429 30.072 29.700 -0.096 0.000 0.885 67 E HN 0.438 nan 8.360 nan 0.000 0.500 68 D N -0.518 119.832 120.400 -0.083 0.000 2.469 68 D HA 0.038 4.678 4.640 -0.000 0.000 0.240 68 D C 0.450 176.712 176.300 -0.064 0.000 1.087 68 D CA 0.023 53.988 54.000 -0.058 0.000 0.876 68 D CB 0.710 41.487 40.800 -0.039 0.000 1.160 68 D HN 0.155 nan 8.370 nan 0.000 0.497 69 L N 1.473 122.645 121.223 -0.085 0.000 4.456 69 L HA -0.192 4.148 4.340 -0.000 0.000 0.394 69 L C -0.158 176.670 176.870 -0.070 0.000 1.078 69 L CA 0.531 55.319 54.840 -0.087 0.000 1.085 69 L CB -1.606 40.405 42.059 -0.080 0.000 2.131 69 L HN 0.133 nan 8.230 nan 0.000 0.635 70 D N -1.417 118.945 120.400 -0.063 0.000 2.111 70 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 70 D C 1.361 177.627 176.300 -0.057 0.000 1.266 70 D CA 0.594 54.562 54.000 -0.052 0.000 0.959 70 D CB 0.092 40.865 40.800 -0.045 0.000 1.258 70 D HN -0.045 nan 8.370 nan 0.000 0.534 71 V N -1.693 118.193 119.914 -0.048 0.000 3.090 71 V HA 0.114 4.234 4.120 -0.000 0.000 0.237 71 V C 1.014 177.084 176.094 -0.039 0.000 1.209 71 V CA -0.108 62.163 62.300 -0.047 0.000 1.209 71 V CB -0.214 31.583 31.823 -0.042 0.000 0.971 71 V HN 0.445 nan 8.190 nan 0.000 0.477 72 L N 2.131 123.334 121.223 -0.033 0.000 2.385 72 L HA 0.597 4.937 4.340 -0.000 0.000 0.281 72 L C 0.940 177.795 176.870 -0.025 0.000 1.106 72 L CA 1.252 56.078 54.840 -0.024 0.000 0.856 72 L CB 0.163 42.210 42.059 -0.021 0.000 1.186 72 L HN 0.383 nan 8.230 nan 0.000 0.453 73 G N 3.843 112.634 108.800 -0.015 0.000 2.176 73 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 73 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 73 G C -0.138 174.755 174.900 -0.012 0.000 0.986 73 G CA -0.029 45.066 45.100 -0.008 0.000 0.643 73 G HN 0.561 nan 8.290 nan 0.000 0.522 74 L N 2.487 123.693 121.223 -0.028 0.000 2.515 74 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 74 L C 1.551 178.413 176.870 -0.013 0.000 1.131 74 L CA 1.112 55.926 54.840 -0.043 0.000 0.905 74 L CB 0.834 42.849 42.059 -0.073 0.000 1.246 74 L HN 0.089 nan 8.230 nan 0.000 0.463 75 S N 4.007 119.728 115.700 0.034 0.000 2.439 75 S HA 0.163 4.633 4.470 -0.000 0.000 0.224 75 S C 0.027 174.553 174.600 -0.123 0.000 1.029 75 S CA 0.330 58.576 58.200 0.076 0.000 0.946 75 S CB 0.064 63.448 63.200 0.307 0.000 0.797 75 S HN 0.482 nan 8.310 nan 0.000 0.504 76 F N 0.819 120.505 119.950 -0.441 0.000 2.631 76 F HA 0.653 5.180 4.527 -0.000 0.000 0.308 76 F C -0.926 174.725 175.800 -0.248 0.000 1.097 76 F CA -1.078 56.577 58.000 -0.575 0.000 0.952 76 F CB 1.476 39.647 39.000 -1.382 0.000 1.307 76 F HN -0.128 nan 8.300 nan 0.000 0.450 77 R N 4.292 124.192 120.500 -1.000 0.000 2.633 77 R HA 0.385 4.725 4.340 -0.000 0.000 0.256 77 R C -2.436 173.467 176.300 -0.662 0.000 1.131 77 R CA -0.861 54.901 56.100 -0.562 0.000 0.994 77 R CB 1.678 31.794 30.300 -0.305 0.000 1.261 77 R HN 0.761 nan 8.270 nan 0.000 0.446 78 K N 3.345 123.602 120.400 -0.238 0.000 2.502 78 K HA 0.260 4.580 4.320 -0.000 0.000 0.254 78 K C -1.247 175.337 176.600 -0.027 0.000 0.947 78 K CA -0.777 55.442 56.287 -0.113 0.000 0.834 78 K CB 1.275 33.846 32.500 0.118 0.000 1.112 78 K HN 0.548 nan 8.250 nan 0.000 0.427 79 D N 4.901 125.260 120.400 -0.068 0.000 2.383 79 D HA 0.064 4.704 4.640 -0.000 0.000 0.252 79 D C 0.947 177.239 176.300 -0.013 0.000 1.166 79 D CA 0.097 54.067 54.000 -0.050 0.000 0.879 79 D CB 1.085 41.840 40.800 -0.074 0.000 1.164 79 D HN 0.504 nan 8.370 nan 0.000 0.462 80 L N 1.221 122.451 121.223 0.011 0.000 2.537 80 L HA 0.317 4.657 4.340 -0.000 0.000 0.224 80 L C 0.316 177.260 176.870 0.123 0.000 1.065 80 L CA 0.005 54.876 54.840 0.052 0.000 0.860 80 L CB 0.381 42.470 42.059 0.050 0.000 1.086 80 L HN 0.255 nan 8.230 nan 0.000 0.482 81 F N 1.844 121.740 119.950 -0.090 0.000 2.623 81 F HA 0.531 5.058 4.527 -0.000 0.000 0.323 81 F C -1.565 174.170 175.800 -0.109 0.000 1.158 81 F CA -1.301 56.652 58.000 -0.079 0.000 1.030 81 F CB 1.807 40.771 39.000 -0.059 0.000 1.280 81 F HN -0.092 nan 8.300 nan 0.000 0.474 82 I N 3.922 124.228 120.570 -0.440 0.000 2.534 82 I HA 0.879 5.049 4.170 -0.000 0.000 0.286 82 I C -1.479 174.334 176.117 -0.507 0.000 1.094 82 I CA -0.555 60.566 61.300 -0.297 0.000 1.055 82 I CB 1.597 39.499 38.000 -0.162 0.000 1.225 82 I HN 0.672 nan 8.210 nan 0.000 0.435 83 A N 4.982 127.602 122.820 -0.332 0.000 2.304 83 A HA 0.822 5.142 4.320 -0.000 0.000 0.323 83 A C -0.874 176.728 177.584 0.030 0.000 1.195 83 A CA -0.572 51.373 52.037 -0.153 0.000 0.826 83 A CB 0.462 19.533 19.000 0.119 0.000 1.184 83 A HN 0.832 nan 8.150 nan 0.000 0.496 84 N N 1.131 119.916 118.700 0.142 0.000 2.483 84 N HA 0.435 5.175 4.740 -0.000 0.000 0.267 84 N C -1.449 174.282 175.510 0.368 0.000 0.998 84 N CA -0.442 52.759 53.050 0.252 0.000 0.918 84 N CB 0.999 39.560 38.487 0.124 0.000 1.215 84 N HN 0.491 nan 8.380 nan 0.000 0.500 85 Y N 1.692 122.194 120.300 0.337 0.000 2.326 85 Y HA 0.264 4.814 4.550 -0.000 0.000 0.331 85 Y C -0.541 175.455 175.900 0.160 0.000 0.962 85 Y CA -0.971 57.245 58.100 0.193 0.000 1.167 85 Y CB 1.408 39.885 38.460 0.029 0.000 1.148 85 Y HN 0.603 nan 8.280 nan 0.000 0.463 86 Q N 4.467 123.955 119.800 -0.519 0.000 2.295 86 Q HA 0.570 4.909 4.340 -0.000 0.000 0.259 86 Q C -0.174 175.416 176.000 -0.683 0.000 0.976 86 Q CA 0.046 55.475 55.803 -0.622 0.000 0.923 86 Q CB 1.885 30.157 28.738 -0.775 0.000 1.185 86 Q HN 0.795 nan 8.270 nan 0.000 0.410 87 A N 4.235 126.880 122.820 -0.292 0.000 1.984 87 A HA 0.141 4.461 4.320 -0.000 0.000 0.214 87 A C 0.092 177.605 177.584 -0.118 0.000 1.173 87 A CA 0.296 52.338 52.037 0.009 0.000 0.673 87 A CB 0.237 19.386 19.000 0.248 0.000 0.830 87 A HN 0.799 nan 8.150 nan 0.000 0.453 88 F N 0.924 120.589 119.950 -0.475 0.000 2.612 88 F HA 0.530 5.057 4.527 -0.000 0.000 0.332 88 F C -3.009 172.530 175.800 -0.436 0.000 1.167 88 F CA -2.743 54.919 58.000 -0.563 0.000 0.970 88 F CB 2.122 40.699 39.000 -0.705 0.000 1.234 88 F HN -0.114 nan 8.300 nan 0.000 0.453 89 P HA 0.256 nan 4.420 nan 0.000 0.279 89 P C -2.235 174.910 177.300 -0.258 0.000 1.239 89 P CA -1.477 61.295 63.100 -0.547 0.000 0.789 89 P CB 0.749 32.164 31.700 -0.474 0.000 0.933 90 P HA -0.267 nan 4.420 nan 0.000 0.214 90 P C 0.474 177.790 177.300 0.027 0.000 1.169 90 P CA 2.317 65.439 63.100 0.038 0.000 0.908 90 P CB -0.621 31.153 31.700 0.123 0.000 0.791 91 T N -5.823 108.735 114.554 0.007 0.000 0.555 91 T HA -0.089 4.261 4.350 -0.000 0.000 0.773 91 T C -2.044 172.702 174.700 0.076 0.000 0.992 91 T CA 0.501 62.614 62.100 0.022 0.000 4.073 91 T CB -2.642 66.231 68.868 0.008 0.000 2.304 91 T HN 0.034 nan 8.240 nan 0.000 0.398 92 P HA 0.021 nan 4.420 nan 0.000 0.220 92 P C 0.654 178.045 177.300 0.151 0.000 1.148 92 P CA 1.883 65.042 63.100 0.099 0.000 0.803 92 P CB -0.990 30.766 31.700 0.094 0.000 0.782 93 N N -2.406 116.455 118.700 0.269 0.000 2.747 93 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 93 N C -1.722 174.086 175.510 0.497 0.000 1.107 93 N CA -0.052 53.282 53.050 0.473 0.000 0.707 93 N CB -2.158 36.419 38.487 0.150 0.000 1.054 93 N HN 0.243 nan 8.380 nan 0.000 0.555 94 P HA -0.250 nan 4.420 nan 0.000 0.221 94 P C -1.696 175.767 177.300 0.272 0.000 0.967 94 P CA 2.033 65.287 63.100 0.256 0.000 1.038 94 P CB -1.303 30.517 31.700 0.201 0.000 0.731 95 P HA 0.126 nan 4.420 nan 0.000 0.231 95 P C 0.513 177.846 177.300 0.055 0.000 1.756 95 P CA 0.269 63.569 63.100 0.335 0.000 0.990 95 P CB -0.700 31.273 31.700 0.455 0.000 1.973 96 R N 1.741 122.205 120.500 -0.060 0.000 2.091 96 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 96 R C -0.853 175.278 176.300 -0.282 0.000 1.136 96 R CA 0.707 56.654 56.100 -0.256 0.000 0.959 96 R CB -2.259 27.980 30.300 -0.102 0.000 0.856 96 R HN 0.378 nan 8.270 nan 0.000 0.437 97 P HA -0.004 nan 4.420 nan 0.000 0.243 97 P C -2.438 174.775 177.300 -0.146 0.000 1.134 97 P CA -0.431 62.601 63.100 -0.114 0.000 1.109 97 P CB -0.196 31.470 31.700 -0.057 0.000 1.140 98 P HA 0.021 nan 4.420 nan 0.000 0.271 98 P C 0.705 177.943 177.300 -0.103 0.000 1.226 98 P CA 0.160 63.161 63.100 -0.166 0.000 0.765 98 P CB 0.217 31.820 31.700 -0.162 0.000 0.835 99 T N 2.483 116.989 114.554 -0.079 0.000 2.882 99 T HA -0.177 4.173 4.350 -0.000 0.000 0.330 99 T C 1.632 176.302 174.700 -0.050 0.000 1.075 99 T CA 0.185 62.258 62.100 -0.045 0.000 1.129 99 T CB 0.312 69.167 68.868 -0.022 0.000 1.071 99 T HN 0.314 nan 8.240 nan 0.000 0.531 100 R N 2.114 122.592 120.500 -0.038 0.000 2.134 100 R HA -0.117 4.223 4.340 -0.000 0.000 0.248 100 R C 2.169 178.443 176.300 -0.043 0.000 1.143 100 R CA 2.348 58.425 56.100 -0.039 0.000 0.957 100 R CB -1.324 28.958 30.300 -0.030 0.000 0.867 100 R HN 0.690 nan 8.270 nan 0.000 0.441 101 L N 0.518 121.720 121.223 -0.035 0.000 2.275 101 L HA -0.021 4.319 4.340 -0.000 0.000 0.215 101 L C 1.967 178.806 176.870 -0.052 0.000 1.119 101 L CA 1.699 56.519 54.840 -0.034 0.000 0.790 101 L CB -0.462 41.589 42.059 -0.015 0.000 0.919 101 L HN 0.349 nan 8.230 nan 0.000 0.443 102 Q N -0.845 118.915 119.800 -0.066 0.000 2.245 102 Q HA -0.147 4.192 4.340 -0.000 0.000 0.201 102 Q C 1.914 177.852 176.000 -0.103 0.000 0.955 102 Q CA 1.283 57.027 55.803 -0.098 0.000 0.870 102 Q CB 0.160 28.826 28.738 -0.121 0.000 0.945 102 Q HN 0.633 nan 8.270 nan 0.000 0.461 103 E N 0.099 120.247 120.200 -0.087 0.000 2.028 103 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 103 E C 2.033 178.581 176.600 -0.086 0.000 0.988 103 E CA 1.005 57.355 56.400 -0.084 0.000 0.799 103 E CB -0.011 29.648 29.700 -0.069 0.000 0.755 103 E HN 0.294 nan 8.360 nan 0.000 0.447 104 R N 0.854 121.309 120.500 -0.074 0.000 2.080 104 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 104 R C 2.554 178.801 176.300 -0.089 0.000 1.137 104 R CA 1.203 57.259 56.100 -0.074 0.000 0.943 104 R CB -0.868 29.398 30.300 -0.058 0.000 0.846 104 R HN 0.199 nan 8.270 nan 0.000 0.431 105 L N 1.007 122.177 121.223 -0.089 0.000 2.131 105 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 105 L C 2.568 179.343 176.870 -0.160 0.000 1.092 105 L CA 0.956 55.728 54.840 -0.114 0.000 0.759 105 L CB -0.382 41.607 42.059 -0.117 0.000 0.903 105 L HN 0.193 nan 8.230 nan 0.000 0.435 106 L N -0.851 120.280 121.223 -0.154 0.000 2.093 106 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 106 L C 2.770 179.531 176.870 -0.181 0.000 1.085 106 L CA 1.188 55.920 54.840 -0.180 0.000 0.755 106 L CB -0.265 41.699 42.059 -0.158 0.000 0.904 106 L HN 0.183 nan 8.230 nan 0.000 0.435 107 R N -0.222 120.192 120.500 -0.143 0.000 2.055 107 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 107 R C 1.796 178.016 176.300 -0.134 0.000 1.135 107 R CA 0.663 56.685 56.100 -0.130 0.000 0.959 107 R CB 0.036 30.275 30.300 -0.101 0.000 0.854 107 R HN 0.031 nan 8.270 nan 0.000 0.431 108 K N 0.680 121.002 120.400 -0.130 0.000 2.633 108 K HA 0.000 4.320 4.320 -0.000 0.000 0.193 108 K C 0.216 176.730 176.600 -0.143 0.000 1.033 108 K CA 0.752 56.959 56.287 -0.133 0.000 0.980 108 K CB -0.291 32.124 32.500 -0.142 0.000 0.800 108 K HN 0.212 nan 8.250 nan 0.000 0.493 109 L N -1.709 119.414 121.223 -0.166 0.000 2.491 109 L HA 0.371 4.711 4.340 -0.000 0.000 0.254 109 L C 0.443 177.135 176.870 -0.297 0.000 1.048 109 L CA -1.222 53.507 54.840 -0.185 0.000 0.855 109 L CB 1.697 43.642 42.059 -0.191 0.000 1.466 109 L HN 0.003 nan 8.230 nan 0.000 0.409 110 G N -0.087 108.447 108.800 -0.443 0.000 2.690 110 G HA2 0.105 4.065 3.960 -0.000 0.000 0.239 110 G HA3 0.105 4.065 3.960 -0.000 0.000 0.239 110 G C 0.621 174.886 174.900 -1.057 0.000 1.233 110 G CA 0.043 44.578 45.100 -0.942 0.000 0.847 110 G HN 0.770 nan 8.290 nan 0.000 0.588 111 Q N -0.255 119.144 119.800 -0.667 0.000 2.368 111 Q HA -0.189 4.151 4.340 -0.000 0.000 0.210 111 Q C 1.673 177.320 176.000 -0.589 0.000 0.982 111 Q CA 2.315 57.862 55.803 -0.427 0.000 0.884 111 Q CB -0.631 28.007 28.738 -0.168 0.000 0.933 111 Q HN 0.838 nan 8.270 nan 0.000 0.460 112 H N -0.376 118.488 119.070 -0.343 0.000 2.561 112 H HA 0.369 4.925 4.556 -0.000 0.000 0.278 112 H C 0.055 175.060 175.328 -0.538 0.000 1.014 112 H CA 0.512 56.312 56.048 -0.415 0.000 1.211 112 H CB -0.414 29.229 29.762 -0.199 0.000 1.365 112 H HN 0.362 nan 8.280 nan 0.000 0.594 113 A N 1.520 123.998 122.820 -0.570 0.000 2.409 113 A HA 0.234 4.554 4.320 -0.000 0.000 0.267 113 A C -0.193 177.073 177.584 -0.530 0.000 1.127 113 A CA -0.297 51.522 52.037 -0.364 0.000 0.795 113 A CB -0.064 18.759 19.000 -0.296 0.000 1.061 113 A HN 0.564 nan 8.150 nan 0.000 0.502 114 H N 0.640 119.693 119.070 -0.028 0.000 3.440 114 H HA 0.196 4.751 4.556 -0.000 0.000 0.259 114 H C -2.083 173.232 175.328 -0.022 0.000 1.120 114 H CA -0.006 56.045 56.048 0.006 0.000 1.191 114 H CB -0.277 29.539 29.762 0.090 0.000 1.537 114 H HN 0.555 nan 8.280 nan 0.000 0.547 115 P HA -0.273 nan 4.420 nan 0.000 0.299 115 P C -0.714 176.495 177.300 -0.152 0.000 1.970 115 P CA 1.261 64.103 63.100 -0.430 0.000 1.766 115 P CB 0.279 31.754 31.700 -0.374 0.000 0.236 116 F N -4.492 115.473 119.950 0.025 0.000 2.807 116 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 116 F C -0.839 174.883 175.800 -0.130 0.000 1.162 116 F CA -1.181 56.746 58.000 -0.122 0.000 0.910 116 F CB 0.937 39.788 39.000 -0.249 0.000 1.314 116 F HN 0.241 nan 8.300 nan 0.000 0.454 117 F N 0.326 119.950 119.950 -0.544 0.000 2.931 117 F HA 0.596 5.123 4.527 -0.000 0.000 0.375 117 F C -1.729 173.908 175.800 -0.271 0.000 1.243 117 F CA -1.150 56.668 58.000 -0.304 0.000 1.206 117 F CB 0.319 39.192 39.000 -0.211 0.000 1.643 117 F HN 0.328 nan 8.300 nan 0.000 0.593 118 F N 1.471 121.453 119.950 0.054 0.000 2.484 118 F HA 0.362 4.889 4.527 -0.000 0.000 0.360 118 F C 0.950 176.758 175.800 0.014 0.000 1.101 118 F CA -0.348 57.649 58.000 -0.004 0.000 1.251 118 F CB 1.536 40.539 39.000 0.005 0.000 1.132 118 F HN 0.446 nan 8.300 nan 0.000 0.570 119 T N 4.928 119.616 114.554 0.224 0.000 2.848 119 T HA 0.569 4.919 4.350 -0.000 0.000 0.285 119 T C -0.728 174.022 174.700 0.083 0.000 0.995 119 T CA -0.751 61.425 62.100 0.127 0.000 0.970 119 T CB 0.486 69.412 68.868 0.098 0.000 0.976 119 T HN 0.415 nan 8.240 nan 0.000 0.441 120 I N 6.815 127.371 120.570 -0.023 0.000 2.331 120 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 120 I C -1.960 174.118 176.117 -0.065 0.000 0.998 120 I CA -2.534 58.672 61.300 -0.158 0.000 1.267 120 I CB 1.669 39.530 38.000 -0.233 0.000 1.386 120 I HN 0.483 nan 8.210 nan 0.000 0.476 121 P HA 0.110 nan 4.420 nan 0.000 0.276 121 P C -0.174 177.138 177.300 0.019 0.000 1.243 121 P CA -0.368 62.755 63.100 0.038 0.000 0.768 121 P CB 0.736 32.510 31.700 0.123 0.000 0.856 122 Q N 1.605 121.428 119.800 0.038 0.000 2.500 122 Q HA -0.136 4.204 4.340 -0.000 0.000 0.213 122 Q C 0.880 176.916 176.000 0.059 0.000 0.974 122 Q CA 1.028 56.859 55.803 0.047 0.000 0.918 122 Q CB -0.546 28.227 28.738 0.059 0.000 0.980 122 Q HN 0.297 nan 8.270 nan 0.000 0.505 123 N N 0.662 119.400 118.700 0.062 0.000 2.290 123 N HA 0.084 4.824 4.740 -0.000 0.000 0.179 123 N C 0.389 175.945 175.510 0.078 0.000 1.016 123 N CA 0.300 53.391 53.050 0.068 0.000 0.871 123 N CB 0.007 38.536 38.487 0.068 0.000 0.987 123 N HN 0.223 nan 8.380 nan 0.000 0.431 124 L N 1.479 122.755 121.223 0.088 0.000 2.498 124 L HA 0.025 4.365 4.340 -0.000 0.000 0.293 124 L C -1.869 175.086 176.870 0.141 0.000 1.271 124 L CA -0.977 53.932 54.840 0.114 0.000 0.831 124 L CB -0.566 41.575 42.059 0.137 0.000 1.091 124 L HN 0.028 nan 8.230 nan 0.000 0.535 125 P HA 0.215 nan 4.420 nan 0.000 0.278 125 P C -0.827 176.628 177.300 0.258 0.000 1.258 125 P CA -0.704 62.496 63.100 0.168 0.000 0.811 125 P CB 0.716 32.502 31.700 0.144 0.000 1.063 126 C N -0.208 119.221 119.300 0.214 0.000 2.345 126 C HA 0.334 4.794 4.460 -0.000 0.000 0.369 126 C C 0.669 175.824 174.990 0.274 0.000 1.273 126 C CA -0.129 59.022 59.018 0.221 0.000 2.310 126 C CB 0.202 28.025 27.740 0.138 0.000 2.219 126 C HN 0.512 nan 8.230 nan 0.000 0.587 127 S N 0.645 116.496 115.700 0.251 0.000 2.525 127 S HA 0.339 4.809 4.470 -0.000 0.000 0.285 127 S C -0.400 174.301 174.600 0.168 0.000 1.283 127 S CA -0.121 58.221 58.200 0.237 0.000 1.072 127 S CB 0.375 63.693 63.200 0.196 0.000 0.867 127 S HN 0.691 nan 8.310 nan 0.000 0.492 128 V N 4.127 124.130 119.914 0.149 0.000 2.777 128 V HA 0.680 4.800 4.120 -0.000 0.000 0.306 128 V C -0.781 175.357 176.094 0.073 0.000 1.112 128 V CA -0.163 62.208 62.300 0.119 0.000 0.917 128 V CB 2.410 34.319 31.823 0.143 0.000 1.018 128 V HN 0.875 nan 8.190 nan 0.000 0.426 129 T N 7.282 121.858 114.554 0.036 0.000 2.900 129 T HA 0.707 5.057 4.350 -0.000 0.000 0.295 129 T C -1.179 173.496 174.700 -0.042 0.000 1.044 129 T CA -0.393 61.697 62.100 -0.016 0.000 0.995 129 T CB 1.648 70.495 68.868 -0.035 0.000 1.072 129 T HN 0.823 nan 8.240 nan 0.000 0.473 130 L N 2.677 123.849 121.223 -0.084 0.000 2.476 130 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 130 L C -1.106 175.660 176.870 -0.175 0.000 0.965 130 L CA -0.497 54.257 54.840 -0.144 0.000 0.845 130 L CB 2.047 44.000 42.059 -0.177 0.000 1.259 130 L HN 0.646 nan 8.230 nan 0.000 0.403 131 Q N 6.569 126.264 119.800 -0.175 0.000 2.348 131 Q HA 0.551 4.891 4.340 -0.000 0.000 0.265 131 Q C -2.494 173.404 176.000 -0.170 0.000 0.998 131 Q CA -1.906 53.803 55.803 -0.156 0.000 0.831 131 Q CB 1.971 30.640 28.738 -0.114 0.000 1.251 131 Q HN 0.317 nan 8.270 nan 0.000 0.456 132 P HA 0.012 nan 4.420 nan 0.000 0.265 132 P C 0.020 177.294 177.300 -0.042 0.000 1.187 132 P CA 0.328 63.380 63.100 -0.080 0.000 0.766 132 P CB 0.722 32.428 31.700 0.010 0.000 0.820 133 G N 2.561 111.356 108.800 -0.007 0.000 3.702 133 G HA2 0.192 4.152 3.960 -0.000 0.000 0.288 133 G HA3 0.192 4.152 3.960 -0.000 0.000 0.288 133 G C -2.066 172.844 174.900 0.017 0.000 1.193 133 G CA -0.993 44.106 45.100 -0.003 0.000 0.952 133 G HN 0.389 nan 8.290 nan 0.000 0.544 134 P HA -0.203 nan 4.420 nan 0.000 0.276 134 P C 0.218 177.532 177.300 0.023 0.000 1.191 134 P CA 0.895 64.015 63.100 0.032 0.000 0.783 134 P CB 0.449 32.162 31.700 0.022 0.000 0.751 135 E N 1.529 121.743 120.200 0.023 0.000 2.265 135 E HA 0.084 4.434 4.350 -0.000 0.000 0.272 135 E C -0.170 176.455 176.600 0.042 0.000 1.067 135 E CA -0.143 56.274 56.400 0.028 0.000 0.900 135 E CB 0.192 29.903 29.700 0.019 0.000 1.017 135 E HN 0.296 nan 8.360 nan 0.000 0.431 136 D N 1.962 122.399 120.400 0.062 0.000 2.556 136 D HA 0.015 4.655 4.640 -0.000 0.000 0.237 136 D C 0.454 176.812 176.300 0.096 0.000 1.296 136 D CA -0.088 53.972 54.000 0.100 0.000 0.807 136 D CB 0.490 41.401 40.800 0.185 0.000 1.084 136 D HN 0.575 nan 8.370 nan 0.000 0.510 137 T N -0.560 114.033 114.554 0.066 0.000 6.178 137 T HA -0.193 4.157 4.350 -0.000 0.000 0.332 137 T C 0.497 175.257 174.700 0.100 0.000 1.086 137 T CA 1.309 63.445 62.100 0.060 0.000 2.223 137 T CB -0.949 67.936 68.868 0.029 0.000 2.420 137 T HN 0.415 nan 8.240 nan 0.000 1.057 138 G N -0.138 108.748 108.800 0.143 0.000 2.619 138 G HA2 0.629 4.589 3.960 -0.000 0.000 0.296 138 G HA3 0.629 4.589 3.960 -0.000 0.000 0.296 138 G C -1.158 173.822 174.900 0.134 0.000 1.334 138 G CA -0.832 44.400 45.100 0.220 0.000 0.934 138 G HN 0.191 nan 8.290 nan 0.000 0.476 139 K N -0.117 120.318 120.400 0.059 0.000 2.109 139 K HA 0.729 5.048 4.320 -0.000 0.000 0.243 139 K C 0.650 177.030 176.600 -0.367 0.000 1.006 139 K CA -0.457 55.688 56.287 -0.236 0.000 0.917 139 K CB 1.818 34.058 32.500 -0.433 0.000 1.081 139 K HN 0.655 nan 8.250 nan 0.000 0.468 140 A N 0.176 122.797 122.820 -0.332 0.000 2.327 140 A HA 0.506 4.826 4.320 -0.000 0.000 0.255 140 A C 0.352 177.699 177.584 -0.395 0.000 1.099 140 A CA 0.060 51.927 52.037 -0.282 0.000 0.801 140 A CB -0.263 18.616 19.000 -0.203 0.000 1.062 140 A HN 0.961 nan 8.150 nan 0.000 0.496 141 C N -2.834 116.309 119.300 -0.262 0.000 3.056 141 C HA 0.900 5.360 4.460 -0.000 0.000 0.336 141 C C -0.034 174.833 174.990 -0.204 0.000 1.356 141 C CA -0.039 58.813 59.018 -0.277 0.000 1.216 141 C CB 0.682 28.300 27.740 -0.203 0.000 1.391 141 C HN 2.752 nan 8.230 nan 0.000 0.445 142 G N -0.643 107.954 108.800 -0.339 0.000 2.320 142 G HA2 0.563 4.523 3.960 -0.000 0.000 0.297 142 G HA3 0.563 4.523 3.960 -0.000 0.000 0.297 142 G C -2.060 172.747 174.900 -0.155 0.000 1.344 142 G CA 0.064 45.081 45.100 -0.139 0.000 0.851 142 G HN 1.782 nan 8.290 nan 0.000 0.567 143 V N 1.637 121.585 119.914 0.056 0.000 2.370 143 V HA 0.500 4.620 4.120 -0.000 0.000 0.279 143 V C -0.862 175.246 176.094 0.023 0.000 1.029 143 V CA -0.575 61.762 62.300 0.063 0.000 0.870 143 V CB 1.455 33.368 31.823 0.149 0.000 0.984 143 V HN 0.617 nan 8.190 nan 0.000 0.451 144 D N 4.060 124.420 120.400 -0.067 0.000 2.362 144 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 144 D C -0.823 175.392 176.300 -0.141 0.000 1.050 144 D CA -0.149 53.842 54.000 -0.015 0.000 0.839 144 D CB 2.167 42.949 40.800 -0.031 0.000 1.283 144 D HN 0.231 nan 8.370 nan 0.000 0.477 145 F N 0.978 120.924 119.950 -0.008 0.000 2.420 145 F HA 0.299 4.826 4.527 -0.000 0.000 0.342 145 F C 0.805 176.585 175.800 -0.033 0.000 1.113 145 F CA -0.609 57.366 58.000 -0.042 0.000 1.059 145 F CB 1.529 40.482 39.000 -0.078 0.000 1.128 145 F HN 0.137 nan 8.300 nan 0.000 0.475 146 E N 4.253 124.498 120.200 0.075 0.000 2.281 146 E HA 0.388 4.737 4.350 -0.000 0.000 0.266 146 E C -1.521 175.069 176.600 -0.016 0.000 0.893 146 E CA -0.511 55.906 56.400 0.028 0.000 0.798 146 E CB 1.593 31.290 29.700 -0.005 0.000 1.245 146 E HN 0.642 nan 8.360 nan 0.000 0.410 147 I N 3.941 124.502 120.570 -0.014 0.000 2.395 147 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 147 I C 0.128 176.246 176.117 0.001 0.000 1.023 147 I CA -0.196 61.088 61.300 -0.027 0.000 1.350 147 I CB 0.718 38.725 38.000 0.012 0.000 1.409 147 I HN 0.367 nan 8.210 nan 0.000 0.507 148 R N 5.620 126.146 120.500 0.043 0.000 2.409 148 R HA 0.679 5.018 4.340 -0.000 0.000 0.313 148 R C -1.297 175.119 176.300 0.194 0.000 0.953 148 R CA -0.649 55.523 56.100 0.120 0.000 0.849 148 R CB 1.668 32.057 30.300 0.148 0.000 1.171 148 R HN 0.663 nan 8.270 nan 0.000 0.458 149 A N 5.446 128.370 122.820 0.175 0.000 2.267 149 A HA 0.567 4.887 4.320 -0.000 0.000 0.315 149 A C -0.910 176.805 177.584 0.218 0.000 1.297 149 A CA -0.572 51.561 52.037 0.160 0.000 0.865 149 A CB 0.135 19.220 19.000 0.141 0.000 1.165 149 A HN 0.670 nan 8.150 nan 0.000 0.513 150 F N 0.673 120.705 119.950 0.136 0.000 2.675 150 F HA 0.801 5.328 4.527 -0.000 0.000 0.324 150 F C -0.459 175.447 175.800 0.177 0.000 1.106 150 F CA -1.658 56.411 58.000 0.116 0.000 0.970 150 F CB 0.809 39.849 39.000 0.066 0.000 1.385 150 F HN 0.603 nan 8.300 nan 0.000 0.489 151 C N 1.272 120.785 119.300 0.355 0.000 2.498 151 C HA 1.040 5.500 4.460 -0.000 0.000 0.316 151 C C -0.430 174.779 174.990 0.365 0.000 1.209 151 C CA -0.345 58.827 59.018 0.256 0.000 1.518 151 C CB 0.229 28.083 27.740 0.189 0.000 2.147 151 C HN 1.625 nan 8.230 nan 0.000 0.483 152 A N 2.506 125.537 122.820 0.353 0.000 2.581 152 A HA 0.523 4.843 4.320 -0.000 0.000 0.294 152 A C 0.316 178.085 177.584 0.308 0.000 1.035 152 A CA -0.565 51.657 52.037 0.307 0.000 0.684 152 A CB 0.516 19.730 19.000 0.357 0.000 1.282 152 A HN 0.823 nan 8.150 nan 0.000 0.417 153 K N 0.151 120.665 120.400 0.190 0.000 2.113 153 K HA -0.038 4.282 4.320 -0.000 0.000 0.208 153 K C 0.560 177.293 176.600 0.221 0.000 1.047 153 K CA 1.924 58.308 56.287 0.162 0.000 0.928 153 K CB -0.072 32.482 32.500 0.090 0.000 0.716 153 K HN 0.572 nan 8.250 nan 0.000 0.446 154 S N -1.697 114.108 115.700 0.175 0.000 2.651 154 S HA 0.296 4.765 4.470 -0.000 0.000 0.279 154 S C 0.881 175.374 174.600 -0.179 0.000 1.148 154 S CA -0.775 57.476 58.200 0.085 0.000 0.837 154 S CB 1.440 64.659 63.200 0.033 0.000 1.138 154 S HN 0.017 nan 8.310 nan 0.000 0.478 155 L N 1.399 122.328 121.223 -0.490 0.000 1.978 155 L HA -0.135 4.204 4.340 -0.000 0.000 0.218 155 L C 1.184 177.932 176.870 -0.203 0.000 1.075 155 L CA 1.350 55.894 54.840 -0.493 0.000 0.767 155 L CB -0.513 41.313 42.059 -0.389 0.000 0.890 155 L HN 0.689 nan 8.230 nan 0.000 0.434 156 E N 1.898 122.011 120.200 -0.146 0.000 1.954 156 E HA 0.005 4.355 4.350 -0.000 0.000 0.272 156 E C -0.318 176.229 176.600 -0.088 0.000 1.170 156 E CA 0.359 56.693 56.400 -0.110 0.000 1.101 156 E CB -0.426 29.228 29.700 -0.078 0.000 1.076 156 E HN 0.345 nan 8.360 nan 0.000 0.449 157 E N 1.984 122.114 120.200 -0.116 0.000 2.321 157 E HA 0.231 4.581 4.350 -0.000 0.000 0.278 157 E C -1.246 175.260 176.600 -0.156 0.000 0.902 157 E CA -1.050 55.297 56.400 -0.088 0.000 0.758 157 E CB 1.214 30.910 29.700 -0.006 0.000 1.213 157 E HN 0.103 nan 8.360 nan 0.000 0.426 158 K N 2.621 122.954 120.400 -0.111 0.000 2.245 158 K HA 0.265 4.585 4.320 -0.000 0.000 0.281 158 K C -1.000 175.480 176.600 -0.200 0.000 1.079 158 K CA 0.044 56.266 56.287 -0.108 0.000 1.000 158 K CB 0.367 32.860 32.500 -0.011 0.000 1.038 158 K HN 0.252 nan 8.250 nan 0.000 0.430 159 S N 4.209 119.752 115.700 -0.261 0.000 2.437 159 S HA 0.327 4.797 4.470 -0.000 0.000 0.305 159 S C -0.620 173.877 174.600 -0.171 0.000 1.109 159 S CA -0.753 57.263 58.200 -0.307 0.000 1.099 159 S CB 0.166 63.172 63.200 -0.323 0.000 1.004 159 S HN 0.798 nan 8.310 nan 0.000 0.475 160 H N 2.776 121.822 119.070 -0.040 0.000 2.294 160 H HA 0.369 4.925 4.556 -0.000 0.000 0.318 160 H C 0.974 176.294 175.328 -0.014 0.000 1.644 160 H CA -0.861 55.168 56.048 -0.032 0.000 1.466 160 H CB 0.524 30.276 29.762 -0.017 0.000 1.735 160 H HN 0.523 nan 8.280 nan 0.000 0.676 161 K N 0.075 120.561 120.400 0.143 0.000 2.305 161 K HA 0.002 4.322 4.320 -0.000 0.000 0.199 161 K C 2.087 178.736 176.600 0.081 0.000 1.047 161 K CA 0.511 56.843 56.287 0.076 0.000 0.976 161 K CB 0.188 32.716 32.500 0.046 0.000 0.765 161 K HN 0.364 nan 8.250 nan 0.000 0.474 162 R N 1.589 122.153 120.500 0.107 0.000 2.064 162 R HA -0.070 4.270 4.340 -0.000 0.000 0.228 162 R C 1.856 178.208 176.300 0.086 0.000 1.144 162 R CA 1.670 57.825 56.100 0.091 0.000 0.932 162 R CB -0.446 29.915 30.300 0.102 0.000 0.833 162 R HN 0.271 nan 8.270 nan 0.000 0.429 163 N N 1.218 119.967 118.700 0.082 0.000 2.571 163 N HA -0.083 4.657 4.740 -0.000 0.000 0.189 163 N C -0.416 175.165 175.510 0.118 0.000 1.154 163 N CA 0.606 53.706 53.050 0.083 0.000 0.907 163 N CB 0.090 38.605 38.487 0.046 0.000 0.977 163 N HN 0.138 nan 8.380 nan 0.000 0.449 164 S N -1.209 114.559 115.700 0.114 0.000 2.568 164 S HA 0.553 5.023 4.470 -0.000 0.000 0.293 164 S C -0.822 173.838 174.600 0.101 0.000 1.089 164 S CA -0.871 57.418 58.200 0.147 0.000 0.945 164 S CB 2.320 65.618 63.200 0.163 0.000 1.077 164 S HN -0.021 nan 8.310 nan 0.000 0.485 165 V N 3.010 122.984 119.914 0.100 0.000 2.409 165 V HA 0.625 4.745 4.120 -0.000 0.000 0.291 165 V C -0.980 175.134 176.094 0.034 0.000 1.020 165 V CA -0.708 61.619 62.300 0.046 0.000 0.848 165 V CB 1.098 32.930 31.823 0.016 0.000 0.990 165 V HN 0.974 nan 8.190 nan 0.000 0.430 166 R N 7.220 127.723 120.500 0.005 0.000 2.343 166 R HA 0.693 5.033 4.340 -0.000 0.000 0.320 166 R C -1.128 175.134 176.300 -0.064 0.000 0.956 166 R CA -0.559 55.533 56.100 -0.013 0.000 0.836 166 R CB 1.634 31.933 30.300 -0.001 0.000 1.151 166 R HN 0.720 nan 8.270 nan 0.000 0.450 167 L N -1.287 119.870 121.223 -0.110 0.000 2.303 167 L HA 0.807 5.147 4.340 -0.000 0.000 0.256 167 L C -0.757 176.068 176.870 -0.075 0.000 1.034 167 L CA -1.205 53.516 54.840 -0.198 0.000 0.832 167 L CB 1.694 43.398 42.059 -0.591 0.000 1.403 167 L HN 0.154 nan 8.230 nan 0.000 0.419 168 V N 2.338 122.274 119.914 0.036 0.000 2.487 168 V HA 0.564 4.684 4.120 -0.000 0.000 0.298 168 V C 0.021 176.292 176.094 0.296 0.000 1.028 168 V CA -0.377 62.016 62.300 0.154 0.000 0.860 168 V CB 1.501 33.416 31.823 0.152 0.000 0.991 168 V HN 0.828 nan 8.190 nan 0.000 0.427 169 I N 2.095 122.824 120.570 0.265 0.000 2.707 169 I HA 0.729 4.899 4.170 -0.000 0.000 0.309 169 I C -0.191 176.046 176.117 0.201 0.000 1.001 169 I CA -0.941 60.535 61.300 0.294 0.000 1.129 169 I CB 1.707 39.860 38.000 0.256 0.000 1.308 169 I HN 0.417 nan 8.210 nan 0.000 0.466 170 R N 2.603 123.206 120.500 0.171 0.000 2.532 170 R HA 0.445 4.785 4.340 -0.000 0.000 0.295 170 R C -0.884 175.412 176.300 -0.008 0.000 0.968 170 R CA -0.938 55.211 56.100 0.082 0.000 0.916 170 R CB 2.071 32.411 30.300 0.066 0.000 1.124 170 R HN 0.608 nan 8.270 nan 0.000 0.463 171 K N 3.100 123.414 120.400 -0.145 0.000 2.507 171 K HA 0.214 4.533 4.320 -0.000 0.000 0.253 171 K C -0.558 175.990 176.600 -0.086 0.000 0.969 171 K CA -0.503 55.660 56.287 -0.206 0.000 0.908 171 K CB 1.193 33.367 32.500 -0.543 0.000 1.127 171 K HN 0.453 nan 8.250 nan 0.000 0.437 172 V N 1.212 121.053 119.914 -0.122 0.000 2.617 172 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 172 V C -0.508 175.563 176.094 -0.039 0.000 1.048 172 V CA -0.812 61.366 62.300 -0.202 0.000 0.964 172 V CB 1.498 32.807 31.823 -0.856 0.000 1.004 172 V HN 0.757 nan 8.190 nan 0.000 0.466 173 Q N 3.173 123.019 119.800 0.076 0.000 2.296 173 Q HA 0.483 4.823 4.340 -0.000 0.000 0.257 173 Q C -1.334 174.814 176.000 0.246 0.000 0.942 173 Q CA -0.226 55.666 55.803 0.147 0.000 0.939 173 Q CB 1.146 29.959 28.738 0.125 0.000 1.198 173 Q HN 0.831 nan 8.270 nan 0.000 0.429 174 F N 3.223 123.220 119.950 0.078 0.000 2.436 174 F HA 0.788 5.315 4.527 -0.000 0.000 0.340 174 F C -0.945 174.900 175.800 0.076 0.000 1.113 174 F CA -0.658 57.390 58.000 0.080 0.000 1.022 174 F CB 1.188 40.156 39.000 -0.052 0.000 1.128 174 F HN 0.651 nan 8.300 nan 0.000 0.466 175 A N 7.353 129.664 122.820 -0.848 0.000 2.401 175 A HA 0.854 5.174 4.320 -0.000 0.000 0.310 175 A C -2.944 174.025 177.584 -1.025 0.000 1.075 175 A CA -1.823 49.805 52.037 -0.681 0.000 0.746 175 A CB 1.628 20.446 19.000 -0.304 0.000 1.277 175 A HN 0.500 nan 8.150 nan 0.000 0.425 176 P HA 0.301 nan 4.420 nan 0.000 0.284 176 P C -0.835 176.429 177.300 -0.060 0.000 1.258 176 P CA -0.323 62.703 63.100 -0.124 0.000 0.824 176 P CB 0.989 32.718 31.700 0.049 0.000 1.038 177 E N 1.523 121.750 120.200 0.044 0.000 2.344 177 E HA 0.129 4.479 4.350 -0.000 0.000 0.270 177 E C -0.235 176.361 176.600 -0.006 0.000 1.021 177 E CA 0.080 56.474 56.400 -0.011 0.000 0.887 177 E CB 0.460 30.168 29.700 0.013 0.000 0.997 177 E HN 0.277 nan 8.360 nan 0.000 0.429 178 K N 4.154 124.538 120.400 -0.026 0.000 2.527 178 K HA 0.243 4.563 4.320 -0.000 0.000 0.240 178 K C -2.359 174.232 176.600 -0.015 0.000 0.989 178 K CA -1.768 54.513 56.287 -0.011 0.000 0.985 178 K CB 1.168 33.662 32.500 -0.010 0.000 1.221 178 K HN 0.336 nan 8.250 nan 0.000 0.458 179 P HA 0.032 nan 4.420 nan 0.000 0.266 179 P C -0.255 177.041 177.300 -0.007 0.000 1.215 179 P CA 0.058 63.150 63.100 -0.013 0.000 0.763 179 P CB 1.398 33.093 31.700 -0.007 0.000 0.806 180 G N 4.013 112.809 108.800 -0.007 0.000 3.291 180 G HA2 0.615 4.575 3.960 -0.000 0.000 0.173 180 G HA3 0.615 4.575 3.960 -0.000 0.000 0.173 180 G C -2.518 172.385 174.900 0.004 0.000 1.099 180 G CA -0.561 44.539 45.100 0.000 0.000 0.794 180 G HN 0.497 nan 8.290 nan 0.000 0.651 181 P HA 0.334 nan 4.420 nan 0.000 0.294 181 P C -0.775 176.538 177.300 0.021 0.000 1.294 181 P CA -0.444 62.664 63.100 0.015 0.000 0.827 181 P CB 1.365 33.075 31.700 0.018 0.000 0.992 182 Q N 2.997 122.811 119.800 0.024 0.000 2.310 182 Q HA 0.015 4.355 4.340 -0.000 0.000 0.315 182 Q C -1.759 174.270 176.000 0.049 0.000 1.081 182 Q CA -0.840 54.984 55.803 0.035 0.000 0.981 182 Q CB -0.584 28.175 28.738 0.035 0.000 1.184 182 Q HN 0.393 nan 8.270 nan 0.000 0.389 183 P HA -0.114 nan 4.420 nan 0.000 0.253 183 P C -0.573 176.765 177.300 0.062 0.000 1.159 183 P CA 0.447 63.596 63.100 0.081 0.000 0.779 183 P CB 0.110 31.882 31.700 0.120 0.000 0.745 184 S N 2.564 118.294 115.700 0.050 0.000 3.545 184 S HA 0.019 4.489 4.470 -0.000 0.000 0.421 184 S C 1.164 175.791 174.600 0.045 0.000 1.160 184 S CA 0.337 58.562 58.200 0.042 0.000 1.002 184 S CB -0.342 62.878 63.200 0.034 0.000 0.703 184 S HN 0.722 nan 8.310 nan 0.000 0.505 185 A N 4.293 127.141 122.820 0.047 0.000 2.632 185 A HA 0.041 4.361 4.320 -0.000 0.000 0.229 185 A C 0.612 178.219 177.584 0.038 0.000 1.047 185 A CA 0.303 52.369 52.037 0.048 0.000 0.754 185 A CB 0.160 19.196 19.000 0.060 0.000 0.969 185 A HN 0.701 nan 8.150 nan 0.000 0.509 186 E N 0.929 121.145 120.200 0.027 0.000 2.231 186 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 186 E C -0.329 176.266 176.600 -0.009 0.000 0.999 186 E CA -0.176 56.231 56.400 0.011 0.000 0.827 186 E CB 1.493 31.196 29.700 0.005 0.000 1.101 186 E HN 0.553 nan 8.360 nan 0.000 0.393 187 T N 1.161 115.708 114.554 -0.011 0.000 2.855 187 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 187 T C -0.545 174.110 174.700 -0.074 0.000 1.007 187 T CA -0.297 61.776 62.100 -0.045 0.000 1.009 187 T CB 1.425 70.354 68.868 0.101 0.000 0.983 187 T HN 0.377 nan 8.240 nan 0.000 0.455 188 T N 2.204 116.660 114.554 -0.164 0.000 2.894 188 T HA 0.665 5.015 4.350 -0.000 0.000 0.309 188 T C -1.675 172.994 174.700 -0.052 0.000 1.208 188 T CA -0.753 61.299 62.100 -0.080 0.000 1.016 188 T CB 1.394 70.224 68.868 -0.063 0.000 1.192 188 T HN 0.564 nan 8.240 nan 0.000 0.491 189 R N 2.160 122.654 120.500 -0.009 0.000 2.514 189 R HA 0.430 4.770 4.340 -0.000 0.000 0.296 189 R C -1.646 174.625 176.300 -0.049 0.000 1.012 189 R CA -0.656 55.467 56.100 0.038 0.000 0.897 189 R CB 0.842 31.192 30.300 0.084 0.000 1.184 189 R HN 0.644 nan 8.270 nan 0.000 0.440 190 H N 5.186 124.243 119.070 -0.021 0.000 2.481 190 H HA 0.292 4.848 4.556 -0.000 0.000 0.333 190 H C -1.020 174.404 175.328 0.160 0.000 1.066 190 H CA -0.426 55.614 56.048 -0.014 0.000 1.209 190 H CB 0.801 30.579 29.762 0.026 0.000 1.445 190 H HN 0.557 nan 8.280 nan 0.000 0.488 191 F N 6.330 126.403 119.950 0.205 0.000 2.350 191 F HA 0.174 4.701 4.527 -0.000 0.000 0.365 191 F C 0.516 176.488 175.800 0.285 0.000 1.122 191 F CA -0.956 57.149 58.000 0.176 0.000 1.139 191 F CB 0.698 39.751 39.000 0.087 0.000 1.220 191 F HN 0.186 nan 8.300 nan 0.000 0.499 192 L N 3.958 125.402 121.223 0.369 0.000 2.482 192 L HA 0.041 4.381 4.340 -0.000 0.000 0.273 192 L C 1.079 178.048 176.870 0.164 0.000 1.228 192 L CA -0.343 54.598 54.840 0.167 0.000 0.827 192 L CB 0.309 42.366 42.059 -0.004 0.000 1.099 192 L HN 0.597 nan 8.230 nan 0.000 0.494 193 M N 1.448 121.114 119.600 0.110 0.000 3.584 193 M HA 0.171 4.651 4.480 -0.000 0.000 0.190 193 M C 0.068 176.394 176.300 0.043 0.000 1.679 193 M CA 0.245 55.599 55.300 0.090 0.000 1.744 193 M CB -1.347 31.294 32.600 0.069 0.000 1.228 193 M HN 0.741 nan 8.290 nan 0.000 0.532 194 S N -0.525 115.187 115.700 0.020 0.000 3.003 194 S HA 0.450 4.920 4.470 -0.000 0.000 0.313 194 S C -0.436 174.056 174.600 -0.181 0.000 1.230 194 S CA -0.673 57.495 58.200 -0.054 0.000 0.977 194 S CB 1.424 64.587 63.200 -0.061 0.000 1.340 194 S HN 0.391 nan 8.310 nan 0.000 0.608 195 D N 0.412 120.635 120.400 -0.295 0.000 2.431 195 D HA 0.347 4.987 4.640 -0.000 0.000 0.213 195 D C -0.352 175.482 176.300 -0.777 0.000 1.130 195 D CA -0.065 53.559 54.000 -0.627 0.000 0.834 195 D CB 0.279 40.863 40.800 -0.360 0.000 0.985 195 D HN 0.169 nan 8.370 nan 0.000 0.504 196 R N 0.918 121.160 120.500 -0.430 0.000 2.294 196 R HA 0.427 4.767 4.340 -0.000 0.000 0.319 196 R C 0.473 176.713 176.300 -0.100 0.000 0.984 196 R CA -0.415 55.544 56.100 -0.235 0.000 0.861 196 R CB 1.163 31.398 30.300 -0.108 0.000 1.104 196 R HN 0.038 nan 8.270 nan 0.000 0.451 197 S N 2.620 118.358 115.700 0.064 0.000 2.707 197 S HA 0.553 5.023 4.470 -0.000 0.000 0.276 197 S C 0.007 174.732 174.600 0.208 0.000 1.179 197 S CA -0.818 57.582 58.200 0.333 0.000 0.992 197 S CB 1.164 64.654 63.200 0.483 0.000 1.030 197 S HN 0.528 nan 8.310 nan 0.000 0.554 198 L N 1.882 123.243 121.223 0.230 0.000 2.349 198 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 198 L C -0.839 176.142 176.870 0.185 0.000 0.996 198 L CA -0.532 54.399 54.840 0.153 0.000 0.825 198 L CB 1.528 43.646 42.059 0.098 0.000 1.243 198 L HN 0.905 nan 8.230 nan 0.000 0.412 199 H N 5.515 124.610 119.070 0.043 0.000 2.489 199 H HA 0.434 4.990 4.556 -0.000 0.000 0.343 199 H C -1.785 173.536 175.328 -0.012 0.000 1.086 199 H CA -0.725 55.335 56.048 0.020 0.000 1.198 199 H CB 2.340 32.107 29.762 0.008 0.000 1.490 199 H HN 0.463 nan 8.280 nan 0.000 0.504 200 L N 4.663 125.583 121.223 -0.506 0.000 2.362 200 L HA 0.414 4.754 4.340 -0.000 0.000 0.275 200 L C -1.045 175.553 176.870 -0.453 0.000 0.998 200 L CA -0.334 54.305 54.840 -0.335 0.000 0.820 200 L CB 1.824 43.794 42.059 -0.148 0.000 1.270 200 L HN 0.805 nan 8.230 nan 0.000 0.415 201 E N 3.887 123.951 120.200 -0.227 0.000 2.290 201 E HA 0.839 5.189 4.350 -0.000 0.000 0.274 201 E C -1.949 174.670 176.600 0.031 0.000 0.889 201 E CA -0.685 55.660 56.400 -0.091 0.000 0.760 201 E CB 1.931 31.649 29.700 0.030 0.000 1.206 201 E HN 0.911 nan 8.360 nan 0.000 0.419 202 A N 2.319 125.161 122.820 0.037 0.000 2.606 202 A HA 0.808 5.128 4.320 -0.000 0.000 0.293 202 A C -1.117 176.501 177.584 0.056 0.000 1.082 202 A CA -0.240 51.835 52.037 0.063 0.000 0.685 202 A CB 1.791 20.822 19.000 0.052 0.000 1.284 202 A HN 0.701 nan 8.150 nan 0.000 0.408 203 S N -0.198 115.537 115.700 0.060 0.000 2.688 203 S HA 0.878 5.348 4.470 -0.000 0.000 0.275 203 S C -1.118 173.509 174.600 0.044 0.000 1.175 203 S CA -0.758 57.473 58.200 0.052 0.000 0.818 203 S CB 0.793 64.026 63.200 0.055 0.000 1.157 203 S HN 0.952 nan 8.310 nan 0.000 0.482 204 L N 0.722 121.974 121.223 0.048 0.000 2.279 204 L HA 0.527 4.867 4.340 -0.000 0.000 0.262 204 L C 0.496 177.413 176.870 0.079 0.000 1.019 204 L CA -1.124 53.749 54.840 0.056 0.000 0.823 204 L CB 1.518 43.604 42.059 0.045 0.000 1.358 204 L HN 0.899 nan 8.230 nan 0.000 0.432 205 D N 0.065 120.527 120.400 0.103 0.000 2.224 205 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 205 D C 0.173 176.487 176.300 0.022 0.000 0.965 205 D CA 1.064 55.100 54.000 0.060 0.000 0.852 205 D CB 0.158 40.991 40.800 0.055 0.000 0.947 205 D HN 0.629 nan 8.370 nan 0.000 0.494 206 K N -0.935 119.486 120.400 0.035 0.000 2.499 206 K HA 0.238 4.558 4.320 -0.000 0.000 0.284 206 K C 0.562 177.203 176.600 0.068 0.000 1.039 206 K CA -0.797 55.459 56.287 -0.052 0.000 0.873 206 K CB 1.215 33.572 32.500 -0.238 0.000 1.545 206 K HN -0.176 nan 8.250 nan 0.000 0.402 207 E N 0.791 121.005 120.200 0.024 0.000 2.127 207 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 207 E C 0.240 176.957 176.600 0.195 0.000 0.964 207 E CA 0.260 56.752 56.400 0.153 0.000 0.832 207 E CB 0.239 29.988 29.700 0.083 0.000 0.790 207 E HN 0.522 nan 8.360 nan 0.000 0.465 208 L N 1.111 122.288 121.223 -0.077 0.000 2.307 208 L HA 0.384 4.724 4.340 -0.000 0.000 0.282 208 L C -1.298 175.322 176.870 -0.416 0.000 1.051 208 L CA -0.721 54.018 54.840 -0.168 0.000 0.804 208 L CB 0.706 42.590 42.059 -0.292 0.000 1.197 208 L HN -0.020 nan 8.230 nan 0.000 0.431 209 Y N 2.573 122.677 120.300 -0.326 0.000 2.492 209 Y HA 0.417 4.967 4.550 -0.000 0.000 0.346 209 Y C -0.865 174.728 175.900 -0.512 0.000 0.997 209 Y CA -0.592 57.308 58.100 -0.333 0.000 1.025 209 Y CB 1.640 40.053 38.460 -0.078 0.000 1.263 209 Y HN 0.357 nan 8.280 nan 0.000 0.454 210 Y N 0.260 120.601 120.300 0.068 0.000 2.403 210 Y HA 0.379 4.929 4.550 -0.000 0.000 0.323 210 Y C 0.339 176.217 175.900 -0.036 0.000 1.226 210 Y CA -0.950 57.111 58.100 -0.065 0.000 1.235 210 Y CB 0.680 39.135 38.460 -0.009 0.000 1.248 210 Y HN 0.571 nan 8.280 nan 0.000 0.489 211 H N -0.066 119.097 119.070 0.156 0.000 2.948 211 H HA 0.205 4.760 4.556 -0.000 0.000 0.351 211 H C 1.184 176.552 175.328 0.067 0.000 1.079 211 H CA 1.149 57.233 56.048 0.059 0.000 1.407 211 H CB 0.266 30.020 29.762 -0.013 0.000 1.373 211 H HN 0.939 nan 8.280 nan 0.000 0.605 212 G N 1.540 110.449 108.800 0.182 0.000 2.328 212 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.256 212 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.256 212 G C 0.403 175.369 174.900 0.110 0.000 1.014 212 G CA 0.477 45.644 45.100 0.112 0.000 0.620 212 G HN 0.700 nan 8.290 nan 0.000 0.530 213 E N 2.236 122.528 120.200 0.153 0.000 2.344 213 E HA 0.461 4.811 4.350 -0.000 0.000 0.270 213 E C -2.132 174.558 176.600 0.149 0.000 1.021 213 E CA -1.521 54.983 56.400 0.173 0.000 0.887 213 E CB 1.003 30.852 29.700 0.249 0.000 0.997 213 E HN 0.284 nan 8.360 nan 0.000 0.429 214 P HA 0.233 nan 4.420 nan 0.000 0.287 214 P C -1.299 176.038 177.300 0.062 0.000 1.270 214 P CA -0.587 62.542 63.100 0.048 0.000 0.844 214 P CB 0.844 32.569 31.700 0.042 0.000 1.068 215 L N 2.213 123.362 121.223 -0.123 0.000 2.295 215 L HA 0.355 4.695 4.340 -0.000 0.000 0.285 215 L C 0.708 177.542 176.870 -0.060 0.000 1.035 215 L CA 0.211 54.929 54.840 -0.204 0.000 0.806 215 L CB 0.250 41.917 42.059 -0.654 0.000 1.214 215 L HN 0.256 nan 8.230 nan 0.000 0.426 216 N N 2.248 120.963 118.700 0.024 0.000 2.645 216 N HA 0.211 4.951 4.740 -0.000 0.000 0.233 216 N C -1.037 174.493 175.510 0.032 0.000 1.058 216 N CA -0.394 52.676 53.050 0.034 0.000 0.942 216 N CB 1.140 39.655 38.487 0.046 0.000 1.210 216 N HN 0.262 nan 8.380 nan 0.000 0.512 217 V N 2.859 122.800 119.914 0.044 0.000 2.397 217 V HA 0.020 4.140 4.120 -0.000 0.000 0.262 217 V C 0.599 176.765 176.094 0.120 0.000 1.047 217 V CA -0.409 61.929 62.300 0.064 0.000 1.003 217 V CB 0.132 31.997 31.823 0.070 0.000 1.037 217 V HN 0.564 nan 8.190 nan 0.000 0.480 218 N N 4.611 123.363 118.700 0.087 0.000 2.411 218 N HA 0.261 5.001 4.740 -0.000 0.000 0.259 218 N C -0.798 174.793 175.510 0.136 0.000 1.103 218 N CA 0.073 53.177 53.050 0.091 0.000 0.954 218 N CB 1.532 40.052 38.487 0.055 0.000 1.085 218 N HN 0.408 nan 8.380 nan 0.000 0.485 219 V N 4.288 124.319 119.914 0.196 0.000 2.495 219 V HA 0.303 4.423 4.120 -0.000 0.000 0.298 219 V C -0.331 175.938 176.094 0.293 0.000 1.031 219 V CA -0.768 61.684 62.300 0.252 0.000 0.871 219 V CB 1.528 33.585 31.823 0.390 0.000 0.988 219 V HN 0.652 nan 8.190 nan 0.000 0.432 220 H N 3.778 122.931 119.070 0.139 0.000 2.924 220 H HA 0.656 5.212 4.556 -0.000 0.000 0.333 220 H C -1.911 173.517 175.328 0.167 0.000 0.979 220 H CA -0.484 55.649 56.048 0.141 0.000 1.326 220 H CB 2.133 31.952 29.762 0.095 0.000 1.600 220 H HN 0.465 nan 8.280 nan 0.000 0.520 221 V N 4.744 124.673 119.914 0.024 0.000 2.459 221 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 221 V C -0.017 176.012 176.094 -0.110 0.000 1.029 221 V CA -0.548 61.736 62.300 -0.027 0.000 0.874 221 V CB 1.744 33.641 31.823 0.124 0.000 0.985 221 V HN 0.831 nan 8.190 nan 0.000 0.438 222 T N 3.463 117.980 114.554 -0.062 0.000 2.934 222 T HA 0.280 4.630 4.350 -0.000 0.000 0.328 222 T C -0.320 174.419 174.700 0.066 0.000 1.068 222 T CA -0.410 61.691 62.100 0.002 0.000 1.018 222 T CB 0.408 69.276 68.868 0.001 0.000 1.009 222 T HN 0.627 nan 8.240 nan 0.000 0.471 223 N N 2.893 121.629 118.700 0.060 0.000 2.699 223 N HA 0.208 4.948 4.740 -0.000 0.000 0.232 223 N C 0.316 175.854 175.510 0.047 0.000 1.027 223 N CA -0.572 52.511 53.050 0.055 0.000 0.920 223 N CB 0.337 38.846 38.487 0.037 0.000 1.148 223 N HN 0.346 nan 8.380 nan 0.000 0.509 224 N N 0.769 119.500 118.700 0.051 0.000 2.276 224 N HA -0.009 4.731 4.740 -0.000 0.000 0.212 224 N C 0.071 175.592 175.510 0.018 0.000 1.127 224 N CA -0.033 53.035 53.050 0.030 0.000 0.834 224 N CB 0.388 38.889 38.487 0.024 0.000 1.014 224 N HN 0.611 nan 8.380 nan 0.000 0.491 225 S N -0.714 115.003 115.700 0.027 0.000 2.671 225 S HA 0.243 4.713 4.470 -0.000 0.000 0.272 225 S C 1.339 175.939 174.600 0.001 0.000 1.174 225 S CA -0.180 58.029 58.200 0.016 0.000 1.004 225 S CB 1.285 64.504 63.200 0.031 0.000 1.077 225 S HN -0.009 nan 8.310 nan 0.000 0.553 226 T N 0.770 115.321 114.554 -0.006 0.000 3.014 226 T HA 0.158 4.508 4.350 -0.000 0.000 0.263 226 T C 0.436 175.129 174.700 -0.012 0.000 1.078 226 T CA 0.480 62.575 62.100 -0.009 0.000 1.135 226 T CB -0.147 68.714 68.868 -0.012 0.000 0.895 226 T HN 0.374 nan 8.240 nan 0.000 0.480 227 K N 2.628 123.017 120.400 -0.017 0.000 2.319 227 K HA 0.280 4.600 4.320 -0.000 0.000 0.265 227 K C 0.213 176.797 176.600 -0.027 0.000 1.000 227 K CA 0.244 56.514 56.287 -0.028 0.000 0.943 227 K CB 0.376 32.849 32.500 -0.046 0.000 0.950 227 K HN 0.070 nan 8.250 nan 0.000 0.485 228 T N 0.658 115.193 114.554 -0.031 0.000 2.928 228 T HA 0.277 4.627 4.350 -0.000 0.000 0.284 228 T C -0.225 174.446 174.700 -0.049 0.000 1.008 228 T CA -0.624 61.456 62.100 -0.034 0.000 1.057 228 T CB 1.280 70.131 68.868 -0.029 0.000 1.018 228 T HN 0.123 nan 8.240 nan 0.000 0.493 229 V N 4.038 123.915 119.914 -0.062 0.000 2.288 229 V HA 0.190 4.310 4.120 -0.000 0.000 0.266 229 V C 1.328 177.369 176.094 -0.087 0.000 1.048 229 V CA -0.469 61.782 62.300 -0.082 0.000 0.842 229 V CB 0.801 32.557 31.823 -0.112 0.000 1.064 229 V HN 0.772 nan 8.190 nan 0.000 0.472 230 K N 5.439 125.798 120.400 -0.067 0.000 2.020 230 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 230 K C 0.748 177.309 176.600 -0.065 0.000 1.050 230 K CA 1.882 58.135 56.287 -0.056 0.000 0.929 230 K CB 0.130 32.604 32.500 -0.043 0.000 0.714 230 K HN 0.784 nan 8.250 nan 0.000 0.443 231 K N -1.982 118.374 120.400 -0.073 0.000 2.454 231 K HA 0.398 4.718 4.320 -0.000 0.000 0.279 231 K C -1.072 175.474 176.600 -0.090 0.000 1.020 231 K CA -0.929 55.312 56.287 -0.076 0.000 0.850 231 K CB 0.845 33.318 32.500 -0.046 0.000 1.529 231 K HN -0.067 nan 8.250 nan 0.000 0.390 232 I N 1.282 121.801 120.570 -0.086 0.000 2.500 232 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 232 I C -1.281 174.735 176.117 -0.168 0.000 1.063 232 I CA -0.828 60.400 61.300 -0.121 0.000 1.062 232 I CB 2.050 39.982 38.000 -0.113 0.000 1.223 232 I HN 0.456 nan 8.210 nan 0.000 0.435 233 K N 5.728 126.037 120.400 -0.152 0.000 2.293 233 K HA 0.585 4.905 4.320 -0.000 0.000 0.267 233 K C -0.883 175.608 176.600 -0.182 0.000 1.010 233 K CA -0.635 55.564 56.287 -0.147 0.000 0.875 233 K CB 2.636 35.087 32.500 -0.081 0.000 1.106 233 K HN 0.268 nan 8.250 nan 0.000 0.450 234 V N 2.917 122.686 119.914 -0.241 0.000 2.370 234 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 234 V C -0.056 175.980 176.094 -0.098 0.000 1.029 234 V CA -0.447 61.729 62.300 -0.207 0.000 0.870 234 V CB 1.132 32.755 31.823 -0.334 0.000 0.984 234 V HN 0.943 nan 8.190 nan 0.000 0.451 235 S N 3.974 119.646 115.700 -0.047 0.000 2.667 235 S HA 0.844 5.314 4.470 -0.000 0.000 0.292 235 S C -1.067 173.560 174.600 0.044 0.000 1.126 235 S CA -0.852 57.347 58.200 -0.001 0.000 0.881 235 S CB 2.211 65.417 63.200 0.009 0.000 1.132 235 S HN 0.337 nan 8.310 nan 0.000 0.492 236 V N 1.674 121.637 119.914 0.083 0.000 2.376 236 V HA 0.509 4.629 4.120 -0.000 0.000 0.287 236 V C -0.286 175.931 176.094 0.204 0.000 1.015 236 V CA -0.600 61.812 62.300 0.186 0.000 0.834 236 V CB 1.025 32.963 31.823 0.191 0.000 1.001 236 V HN 0.835 nan 8.190 nan 0.000 0.428 237 R N 3.084 123.727 120.500 0.240 0.000 2.474 237 R HA 0.548 4.888 4.340 -0.000 0.000 0.295 237 R C -0.399 175.931 176.300 0.050 0.000 0.980 237 R CA -0.572 55.569 56.100 0.068 0.000 0.934 237 R CB 2.001 32.266 30.300 -0.058 0.000 1.101 237 R HN 0.718 nan 8.270 nan 0.000 0.469 238 Q N 2.700 122.393 119.800 -0.178 0.000 2.271 238 Q HA 0.243 4.583 4.340 -0.000 0.000 0.258 238 Q C -1.499 174.214 176.000 -0.479 0.000 0.936 238 Q CA -0.561 55.054 55.803 -0.313 0.000 0.909 238 Q CB 1.005 29.639 28.738 -0.173 0.000 1.253 238 Q HN 0.587 nan 8.270 nan 0.000 0.440 239 Y N 1.394 121.523 120.300 -0.285 0.000 2.345 239 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 239 Y C -0.186 175.640 175.900 -0.123 0.000 0.959 239 Y CA -0.873 57.139 58.100 -0.145 0.000 1.204 239 Y CB 1.964 40.347 38.460 -0.128 0.000 1.135 239 Y HN 0.653 nan 8.280 nan 0.000 0.477 240 A N 2.903 125.770 122.820 0.077 0.000 2.304 240 A HA 0.626 4.945 4.320 -0.000 0.000 0.314 240 A C -1.276 176.414 177.584 0.178 0.000 1.187 240 A CA -0.729 51.370 52.037 0.104 0.000 0.810 240 A CB 0.507 19.563 19.000 0.093 0.000 1.183 240 A HN 0.616 nan 8.150 nan 0.000 0.487 241 D N 2.804 123.280 120.400 0.127 0.000 2.381 241 D HA 0.373 5.013 4.640 -0.000 0.000 0.235 241 D C 0.169 176.542 176.300 0.122 0.000 1.068 241 D CA -0.140 53.928 54.000 0.113 0.000 0.832 241 D CB 1.237 42.069 40.800 0.053 0.000 1.101 241 D HN 0.338 nan 8.370 nan 0.000 0.515 242 I N 1.464 122.136 120.570 0.171 0.000 2.588 242 I HA 0.044 4.214 4.170 -0.000 0.000 0.283 242 I C 1.304 177.445 176.117 0.041 0.000 1.119 242 I CA -0.184 61.219 61.300 0.172 0.000 1.419 242 I CB 0.568 38.730 38.000 0.271 0.000 1.394 242 I HN 0.468 nan 8.210 nan 0.000 0.562 243 C N 4.880 124.152 119.300 -0.047 0.000 2.800 243 C HA 0.301 4.761 4.460 -0.000 0.000 0.379 243 C C 0.976 175.849 174.990 -0.195 0.000 1.304 243 C CA -0.311 58.640 59.018 -0.113 0.000 1.960 243 C CB 0.074 27.746 27.740 -0.113 0.000 2.599 243 C HN 0.521 nan 8.230 nan 0.000 0.578 244 L N 1.454 122.480 121.223 -0.329 0.000 2.312 244 L HA 0.332 4.672 4.340 -0.000 0.000 0.281 244 L C 0.854 177.539 176.870 -0.308 0.000 1.070 244 L CA 0.303 54.894 54.840 -0.415 0.000 0.805 244 L CB 0.870 42.486 42.059 -0.738 0.000 1.174 244 L HN 0.396 nan 8.230 nan 0.000 0.434 245 F N 1.869 121.445 119.950 -0.624 0.000 2.560 245 F HA -0.371 4.156 4.527 -0.000 0.000 0.695 245 F C 0.947 176.450 175.800 -0.495 0.000 0.486 245 F CA 1.908 59.477 58.000 -0.717 0.000 0.722 245 F CB -0.708 37.601 39.000 -1.152 0.000 1.608 245 F HN 0.488 nan 8.300 nan 0.000 0.266 246 S N 1.189 116.648 115.700 -0.401 0.000 2.577 246 S HA 0.495 4.965 4.470 -0.000 0.000 0.294 246 S C -0.148 174.369 174.600 -0.139 0.000 1.161 246 S CA 0.109 58.100 58.200 -0.348 0.000 1.143 246 S CB 0.182 63.202 63.200 -0.300 0.000 0.991 246 S HN 0.778 nan 8.310 nan 0.000 0.475 247 T N 2.627 117.087 114.554 -0.157 0.000 2.871 247 T HA 0.541 4.891 4.350 -0.000 0.000 0.296 247 T C 0.163 174.825 174.700 -0.064 0.000 0.998 247 T CA -0.038 62.007 62.100 -0.092 0.000 1.162 247 T CB 0.501 69.305 68.868 -0.107 0.000 0.947 247 T HN 1.165 nan 8.240 nan 0.000 0.536 248 A N 3.263 126.065 122.820 -0.029 0.000 2.590 248 A HA 0.597 4.917 4.320 -0.000 0.000 0.296 248 A C -1.337 176.187 177.584 -0.099 0.000 1.050 248 A CA -1.204 50.781 52.037 -0.088 0.000 0.697 248 A CB 1.363 20.323 19.000 -0.066 0.000 1.277 248 A HN 0.810 nan 8.150 nan 0.000 0.411 249 Q N 1.057 120.712 119.800 -0.241 0.000 2.303 249 Q HA 0.547 4.887 4.340 -0.000 0.000 0.267 249 Q C -1.793 174.042 176.000 -0.275 0.000 1.011 249 Q CA -0.284 55.437 55.803 -0.137 0.000 0.740 249 Q CB 1.958 30.660 28.738 -0.060 0.000 1.250 249 Q HN 0.641 nan 8.270 nan 0.000 0.458 250 Y N 1.008 121.309 120.300 0.001 0.000 2.310 250 Y HA 0.450 5.000 4.550 -0.000 0.000 0.326 250 Y C -0.010 175.837 175.900 -0.088 0.000 1.151 250 Y CA -0.635 57.445 58.100 -0.032 0.000 1.195 250 Y CB 1.140 39.584 38.460 -0.026 0.000 1.210 250 Y HN 0.314 nan 8.280 nan 0.000 0.483 251 K N 2.356 122.744 120.400 -0.021 0.000 2.579 251 K HA 0.567 4.887 4.320 -0.000 0.000 0.250 251 K C -1.648 174.832 176.600 -0.199 0.000 0.952 251 K CA -0.212 55.931 56.287 -0.239 0.000 0.857 251 K CB 1.524 33.896 32.500 -0.214 0.000 1.123 251 K HN 0.723 nan 8.250 nan 0.000 0.433 252 C N 4.821 123.971 119.300 -0.251 0.000 2.686 252 C HA 0.696 5.156 4.460 -0.000 0.000 0.318 252 C C -2.798 172.117 174.990 -0.125 0.000 1.160 252 C CA -2.186 56.752 59.018 -0.133 0.000 1.396 252 C CB 1.347 29.055 27.740 -0.055 0.000 1.924 252 C HN 0.639 nan 8.230 nan 0.000 0.471 253 P HA 0.285 nan 4.420 nan 0.000 0.285 253 P C -0.091 177.219 177.300 0.016 0.000 1.259 253 P CA 0.111 63.202 63.100 -0.016 0.000 0.794 253 P CB 1.306 32.997 31.700 -0.013 0.000 0.940 254 V N -0.526 119.419 119.914 0.053 0.000 3.111 254 V HA 0.814 4.934 4.120 -0.000 0.000 0.343 254 V C -0.216 175.913 176.094 0.059 0.000 1.417 254 V CA -0.163 62.177 62.300 0.066 0.000 1.142 254 V CB -0.287 31.606 31.823 0.118 0.000 1.114 254 V HN 0.757 nan 8.190 nan 0.000 0.520 255 A N -0.001 122.845 122.820 0.044 0.000 2.517 255 A HA 0.766 5.086 4.320 -0.000 0.000 0.296 255 A C -1.158 176.437 177.584 0.018 0.000 0.983 255 A CA -0.320 51.736 52.037 0.030 0.000 0.634 255 A CB 1.286 20.306 19.000 0.032 0.000 1.341 255 A HN 0.615 nan 8.150 nan 0.000 0.438 256 Q N -0.927 118.879 119.800 0.009 0.000 2.616 256 Q HA 0.537 4.877 4.340 -0.000 0.000 0.254 256 Q C -1.782 174.219 176.000 0.002 0.000 0.975 256 Q CA 0.015 55.818 55.803 -0.001 0.000 0.976 256 Q CB 2.460 31.198 28.738 0.000 0.000 1.594 256 Q HN 2.315 nan 8.270 nan 0.000 0.425 257 V N 0.956 120.864 119.914 -0.010 0.000 3.120 257 V HA 0.853 4.973 4.120 -0.000 0.000 0.303 257 V C -2.005 174.083 176.094 -0.010 0.000 1.238 257 V CA -0.088 62.221 62.300 0.014 0.000 1.008 257 V CB 2.249 34.106 31.823 0.058 0.000 1.064 257 V HN 0.897 nan 8.190 nan 0.000 0.434 258 E N 3.736 123.959 120.200 0.039 0.000 2.829 258 E HA 0.214 4.564 4.350 -0.000 0.000 0.369 258 E C -0.559 176.097 176.600 0.093 0.000 1.097 258 E CA -0.331 56.089 56.400 0.033 0.000 0.822 258 E CB 0.992 30.690 29.700 -0.002 0.000 1.502 258 E HN 0.939 nan 8.360 nan 0.000 0.387 259 Q N 1.319 121.234 119.800 0.193 0.000 2.614 259 Q HA -0.057 4.283 4.340 -0.000 0.000 0.244 259 Q C -0.324 175.754 176.000 0.130 0.000 1.097 259 Q CA 0.558 56.464 55.803 0.171 0.000 0.986 259 Q CB 0.583 29.452 28.738 0.219 0.000 1.308 259 Q HN 0.530 nan 8.270 nan 0.000 0.546 260 D N 1.300 121.756 120.400 0.094 0.000 2.374 260 D HA 0.084 4.724 4.640 -0.000 0.000 0.240 260 D C -1.338 175.002 176.300 0.068 0.000 1.229 260 D CA -0.162 53.874 54.000 0.061 0.000 0.895 260 D CB 0.367 41.194 40.800 0.044 0.000 1.046 260 D HN 0.233 nan 8.370 nan 0.000 0.498 261 D N 3.286 123.705 120.400 0.032 0.000 2.780 261 D HA 0.317 4.957 4.640 -0.000 0.000 0.242 261 D C -0.684 175.503 176.300 -0.188 0.000 1.135 261 D CA -0.457 53.517 54.000 -0.043 0.000 0.859 261 D CB 1.828 42.643 40.800 0.024 0.000 1.530 261 D HN 0.470 nan 8.370 nan 0.000 0.493 262 Q N 0.317 119.956 119.800 -0.269 0.000 2.284 262 Q HA 0.570 4.910 4.340 -0.000 0.000 0.269 262 Q C -1.248 174.600 176.000 -0.253 0.000 1.026 262 Q CA -0.943 54.733 55.803 -0.212 0.000 0.831 262 Q CB 2.998 31.683 28.738 -0.089 0.000 1.322 262 Q HN 0.108 nan 8.270 nan 0.000 0.419 263 V N 1.408 121.192 119.914 -0.217 0.000 2.349 263 V HA 0.361 4.481 4.120 -0.000 0.000 0.284 263 V C -0.051 176.016 176.094 -0.046 0.000 1.014 263 V CA -0.678 61.550 62.300 -0.120 0.000 0.826 263 V CB 1.249 32.996 31.823 -0.128 0.000 1.009 263 V HN 0.792 nan 8.190 nan 0.000 0.431 264 S N 6.116 121.810 115.700 -0.009 0.000 2.617 264 S HA 0.395 4.865 4.470 -0.000 0.000 0.259 264 S C -2.207 172.399 174.600 0.010 0.000 1.301 264 S CA -0.639 57.561 58.200 -0.001 0.000 0.984 264 S CB 0.461 63.667 63.200 0.011 0.000 0.954 264 S HN 0.571 nan 8.310 nan 0.000 0.572 265 P HA 0.096 nan 4.420 nan 0.000 0.273 265 P C -0.249 177.063 177.300 0.020 0.000 1.250 265 P CA -0.042 63.065 63.100 0.011 0.000 0.793 265 P CB 0.152 31.854 31.700 0.004 0.000 1.011 266 S N -0.815 114.898 115.700 0.020 0.000 3.290 266 S HA -0.153 4.317 4.470 -0.000 0.000 0.255 266 S C 0.019 174.642 174.600 0.039 0.000 0.721 266 S CA 0.590 58.806 58.200 0.026 0.000 1.365 266 S CB -2.044 61.167 63.200 0.018 0.000 0.903 266 S HN 0.694 nan 8.310 nan 0.000 0.410 267 S N 0.755 116.486 115.700 0.052 0.000 2.541 267 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 267 S C -0.415 174.248 174.600 0.105 0.000 1.133 267 S CA -0.161 58.084 58.200 0.075 0.000 0.876 267 S CB 2.209 65.453 63.200 0.073 0.000 1.105 267 S HN 0.594 nan 8.310 nan 0.000 0.470 268 T N 2.863 117.501 114.554 0.140 0.000 2.945 268 T HA 0.782 5.132 4.350 -0.000 0.000 0.286 268 T C -1.557 173.327 174.700 0.306 0.000 1.025 268 T CA -0.313 61.906 62.100 0.198 0.000 1.039 268 T CB 0.671 69.663 68.868 0.206 0.000 1.068 268 T HN 0.600 nan 8.240 nan 0.000 0.497 269 F N 2.053 122.108 119.950 0.175 0.000 2.654 269 F HA 0.506 5.033 4.527 -0.000 0.000 0.314 269 F C -1.399 174.580 175.800 0.299 0.000 1.116 269 F CA -0.978 57.125 58.000 0.172 0.000 1.017 269 F CB 0.855 39.920 39.000 0.109 0.000 1.285 269 F HN 0.837 nan 8.300 nan 0.000 0.448 270 C N 3.874 122.881 119.300 -0.487 0.000 2.783 270 C HA 0.927 5.387 4.460 -0.000 0.000 0.312 270 C C -1.140 173.495 174.990 -0.593 0.000 1.182 270 C CA -1.100 57.748 59.018 -0.284 0.000 1.432 270 C CB 1.165 28.792 27.740 -0.188 0.000 1.933 270 C HN 1.128 nan 8.230 nan 0.000 0.473 271 K N 1.493 121.727 120.400 -0.276 0.000 2.546 271 K HA 0.677 4.997 4.320 -0.000 0.000 0.264 271 K C -1.868 174.610 176.600 -0.203 0.000 0.937 271 K CA -0.492 55.601 56.287 -0.324 0.000 0.833 271 K CB 2.270 34.522 32.500 -0.413 0.000 1.378 271 K HN 0.672 nan 8.250 nan 0.000 0.432 272 V N 4.486 124.256 119.914 -0.240 0.000 2.333 272 V HA 0.310 4.430 4.120 -0.000 0.000 0.274 272 V C -0.999 174.980 176.094 -0.192 0.000 1.028 272 V CA -0.523 61.702 62.300 -0.124 0.000 0.851 272 V CB 0.102 31.880 31.823 -0.076 0.000 1.000 272 V HN 0.580 nan 8.190 nan 0.000 0.456 273 Y N 2.197 122.509 120.300 0.020 0.000 2.313 273 Y HA 0.381 4.931 4.550 -0.000 0.000 0.332 273 Y C 1.131 177.028 175.900 -0.005 0.000 1.071 273 Y CA -0.174 57.936 58.100 0.017 0.000 1.169 273 Y CB 1.257 39.732 38.460 0.025 0.000 1.192 273 Y HN 0.467 nan 8.280 nan 0.000 0.487 274 T N 5.510 120.141 114.554 0.129 0.000 2.806 274 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 274 T C -0.795 173.940 174.700 0.057 0.000 0.966 274 T CA -0.388 61.752 62.100 0.066 0.000 1.060 274 T CB 0.208 69.101 68.868 0.041 0.000 0.927 274 T HN 0.521 nan 8.240 nan 0.000 0.485 275 I N 2.603 123.175 120.570 0.004 0.000 2.656 275 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 275 I C -1.072 175.014 176.117 -0.050 0.000 1.144 275 I CA -0.455 60.834 61.300 -0.017 0.000 1.038 275 I CB 2.123 40.103 38.000 -0.033 0.000 1.244 275 I HN 0.544 nan 8.210 nan 0.000 0.420 276 T N 6.993 121.534 114.554 -0.022 0.000 2.847 276 T HA 0.481 4.830 4.350 -0.000 0.000 0.291 276 T C -2.733 171.967 174.700 -0.001 0.000 0.998 276 T CA -1.100 60.992 62.100 -0.014 0.000 0.967 276 T CB 1.428 70.303 68.868 0.013 0.000 0.954 276 T HN 0.361 nan 8.240 nan 0.000 0.441 277 P HA 0.557 nan 4.420 nan 0.000 0.295 277 P C -1.155 176.164 177.300 0.032 0.000 1.354 277 P CA -0.524 62.591 63.100 0.025 0.000 0.814 277 P CB 0.640 32.358 31.700 0.030 0.000 0.935 278 L N 3.669 124.906 121.223 0.024 0.000 2.408 278 L HA 0.319 4.659 4.340 -0.000 0.000 0.268 278 L C 1.540 178.413 176.870 0.004 0.000 0.986 278 L CA -1.030 53.815 54.840 0.008 0.000 0.820 278 L CB 2.354 44.419 42.059 0.009 0.000 1.303 278 L HN 0.123 nan 8.230 nan 0.000 0.411 279 L N 1.583 122.796 121.223 -0.017 0.000 2.079 279 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 279 L C 2.267 179.133 176.870 -0.005 0.000 1.081 279 L CA 1.928 56.761 54.840 -0.010 0.000 0.752 279 L CB -0.327 41.715 42.059 -0.028 0.000 0.896 279 L HN 0.764 nan 8.230 nan 0.000 0.433 280 S N 0.229 115.925 115.700 -0.007 0.000 2.390 280 S HA -0.311 4.159 4.470 -0.000 0.000 0.234 280 S C 1.749 176.352 174.600 0.005 0.000 1.063 280 S CA 2.268 60.468 58.200 0.000 0.000 1.108 280 S CB -0.811 62.390 63.200 0.002 0.000 0.975 280 S HN 0.648 nan 8.310 nan 0.000 0.442 281 N N 0.896 119.601 118.700 0.008 0.000 2.463 281 N HA 0.112 4.852 4.740 -0.000 0.000 0.181 281 N C 0.086 175.602 175.510 0.011 0.000 1.078 281 N CA 0.109 53.166 53.050 0.011 0.000 0.902 281 N CB 0.051 38.547 38.487 0.014 0.000 0.970 281 N HN 0.290 nan 8.380 nan 0.000 0.451 282 N N -0.338 118.368 118.700 0.010 0.000 2.419 282 N HA 0.209 4.949 4.740 -0.000 0.000 0.277 282 N C 0.411 175.923 175.510 0.004 0.000 1.006 282 N CA -0.461 52.595 53.050 0.009 0.000 0.923 282 N CB 0.812 39.307 38.487 0.013 0.000 1.140 282 N HN -0.095 nan 8.380 nan 0.000 0.488 283 R N 0.798 121.299 120.500 0.003 0.000 2.100 283 R HA 0.128 4.468 4.340 -0.000 0.000 0.220 283 R C 0.023 176.322 176.300 -0.003 0.000 1.091 283 R CA 0.711 56.811 56.100 0.001 0.000 0.986 283 R CB -0.049 30.252 30.300 0.002 0.000 0.888 283 R HN 0.553 nan 8.270 nan 0.000 0.444 284 E N 1.721 121.919 120.200 -0.004 0.000 2.373 284 E HA -0.029 4.321 4.350 -0.000 0.000 0.267 284 E C 0.636 177.226 176.600 -0.016 0.000 1.032 284 E CA 0.088 56.483 56.400 -0.008 0.000 0.889 284 E CB 0.971 30.667 29.700 -0.006 0.000 0.984 284 E HN 0.289 nan 8.360 nan 0.000 0.425 285 K N 2.745 123.131 120.400 -0.023 0.000 2.002 285 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 285 K C 0.744 177.315 176.600 -0.047 0.000 1.048 285 K CA 0.010 56.274 56.287 -0.037 0.000 0.930 285 K CB 0.010 32.486 32.500 -0.041 0.000 0.714 285 K HN 0.167 nan 8.250 nan 0.000 0.438 286 R N 0.395 120.874 120.500 -0.035 0.000 3.433 286 R HA -0.149 4.191 4.340 -0.000 0.000 0.630 286 R C 0.175 176.431 176.300 -0.073 0.000 0.241 286 R CA 1.355 57.439 56.100 -0.027 0.000 1.937 286 R CB -1.402 28.891 30.300 -0.012 0.000 0.874 286 R HN 0.715 nan 8.270 nan 0.000 0.620 287 G N 1.540 110.321 108.800 -0.033 0.000 2.734 287 G HA2 0.330 4.290 3.960 -0.000 0.000 0.287 287 G HA3 0.330 4.290 3.960 -0.000 0.000 0.287 287 G C -0.475 174.315 174.900 -0.183 0.000 0.728 287 G CA -0.176 44.811 45.100 -0.188 0.000 1.999 287 G HN 0.264 nan 8.290 nan 0.000 0.535 288 L N 1.773 122.867 121.223 -0.214 0.000 2.410 288 L HA 0.709 5.049 4.340 -0.000 0.000 0.270 288 L C 0.093 176.898 176.870 -0.108 0.000 0.983 288 L CA -0.957 53.815 54.840 -0.113 0.000 0.822 288 L CB 2.070 44.094 42.059 -0.058 0.000 1.285 288 L HN 0.379 nan 8.230 nan 0.000 0.409 289 A N 5.965 128.754 122.820 -0.051 0.000 2.269 289 A HA 0.742 5.062 4.320 -0.000 0.000 0.302 289 A C -0.789 176.818 177.584 0.037 0.000 1.266 289 A CA -0.297 51.733 52.037 -0.011 0.000 0.894 289 A CB -0.059 18.951 19.000 0.016 0.000 1.147 289 A HN 0.672 nan 8.150 nan 0.000 0.537 290 L N 1.363 122.601 121.223 0.025 0.000 2.303 290 L HA 0.495 4.835 4.340 -0.000 0.000 0.266 290 L C -0.317 176.592 176.870 0.064 0.000 1.011 290 L CA -1.001 53.862 54.840 0.039 0.000 0.818 290 L CB 1.991 44.050 42.059 -0.000 0.000 1.326 290 L HN 0.802 nan 8.230 nan 0.000 0.435 291 D N -0.186 120.262 120.400 0.080 0.000 3.163 291 D HA 0.519 5.159 4.640 -0.000 0.000 0.284 291 D C 0.041 176.391 176.300 0.083 0.000 1.368 291 D CA -0.345 53.718 54.000 0.105 0.000 0.895 291 D CB 0.789 41.683 40.800 0.156 0.000 1.061 291 D HN 0.737 nan 8.370 nan 0.000 0.496 292 G N -0.005 108.825 108.800 0.049 0.000 2.353 292 G HA2 0.127 4.087 3.960 -0.000 0.000 0.308 292 G HA3 0.127 4.087 3.960 -0.000 0.000 0.308 292 G C -1.192 173.675 174.900 -0.056 0.000 1.418 292 G CA -1.323 43.795 45.100 0.030 0.000 0.966 292 G HN 0.081 nan 8.290 nan 0.000 0.638 293 K N 0.501 120.804 120.400 -0.162 0.000 2.524 293 K HA 0.077 4.397 4.320 -0.000 0.000 0.279 293 K C 1.547 177.973 176.600 -0.290 0.000 0.993 293 K CA -0.420 55.665 56.287 -0.336 0.000 1.030 293 K CB 1.049 33.123 32.500 -0.710 0.000 0.891 293 K HN 0.767 nan 8.250 nan 0.000 0.488 294 L N 4.575 125.685 121.223 -0.189 0.000 2.191 294 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 294 L C 1.890 178.711 176.870 -0.081 0.000 1.103 294 L CA 1.747 56.524 54.840 -0.105 0.000 0.769 294 L CB -0.453 41.558 42.059 -0.081 0.000 0.908 294 L HN 0.705 nan 8.230 nan 0.000 0.438 295 K N -1.685 118.641 120.400 -0.122 0.000 2.288 295 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 295 K C 0.031 176.715 176.600 0.141 0.000 1.048 295 K CA 0.400 56.687 56.287 0.000 0.000 0.956 295 K CB -0.636 31.880 32.500 0.027 0.000 0.746 295 K HN 0.307 nan 8.250 nan 0.000 0.461 296 H N 2.269 121.340 119.070 0.001 0.000 2.683 296 H HA 0.107 4.663 4.556 -0.000 0.000 0.339 296 H C 0.638 175.963 175.328 -0.006 0.000 1.081 296 H CA -0.324 55.723 56.048 -0.002 0.000 1.432 296 H CB 1.205 30.966 29.762 -0.003 0.000 1.462 296 H HN 0.244 nan 8.280 nan 0.000 0.557 297 E N 1.293 121.559 120.200 0.110 0.000 2.077 297 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 297 E C 0.852 177.478 176.600 0.043 0.000 0.989 297 E CA 1.388 57.819 56.400 0.053 0.000 0.800 297 E CB 0.184 29.899 29.700 0.025 0.000 0.746 297 E HN 0.679 nan 8.360 nan 0.000 0.452 298 D N 0.459 120.886 120.400 0.044 0.000 2.352 298 D HA -0.049 4.591 4.640 -0.000 0.000 0.232 298 D C 0.159 176.493 176.300 0.057 0.000 1.055 298 D CA 0.281 54.303 54.000 0.035 0.000 0.891 298 D CB -0.396 40.409 40.800 0.007 0.000 0.897 298 D HN -0.147 nan 8.370 nan 0.000 0.529 299 T N 1.869 116.462 114.554 0.065 0.000 2.901 299 T HA 0.202 4.552 4.350 -0.000 0.000 0.301 299 T C 0.376 175.074 174.700 -0.003 0.000 1.012 299 T CA -0.323 61.806 62.100 0.048 0.000 1.135 299 T CB 0.732 69.622 68.868 0.037 0.000 0.936 299 T HN 0.205 nan 8.240 nan 0.000 0.539 300 N N 1.787 120.468 118.700 -0.031 0.000 2.701 300 N HA 0.435 5.175 4.740 -0.000 0.000 0.290 300 N C -0.613 174.829 175.510 -0.113 0.000 1.338 300 N CA -0.914 52.037 53.050 -0.166 0.000 0.799 300 N CB 1.058 39.249 38.487 -0.493 0.000 1.491 300 N HN 0.346 nan 8.380 nan 0.000 0.540 301 L N 1.154 122.289 121.223 -0.148 0.000 2.485 301 L HA 0.173 4.513 4.340 -0.000 0.000 0.275 301 L C 1.104 178.055 176.870 0.135 0.000 1.207 301 L CA -0.336 54.523 54.840 0.032 0.000 0.855 301 L CB 0.108 42.230 42.059 0.105 0.000 1.114 301 L HN 0.601 nan 8.230 nan 0.000 0.485 302 A N 2.652 125.604 122.820 0.221 0.000 2.483 302 A HA 0.287 4.607 4.320 -0.000 0.000 0.238 302 A C 0.526 178.349 177.584 0.400 0.000 1.070 302 A CA -0.225 51.974 52.037 0.271 0.000 0.770 302 A CB 0.120 19.239 19.000 0.198 0.000 1.008 302 A HN 0.787 nan 8.150 nan 0.000 0.497 303 S N 2.541 118.462 115.700 0.368 0.000 2.564 303 S HA 0.332 4.802 4.470 -0.000 0.000 0.278 303 S C 0.417 175.175 174.600 0.264 0.000 1.333 303 S CA -0.190 58.188 58.200 0.295 0.000 1.048 303 S CB 0.396 63.732 63.200 0.227 0.000 0.900 303 S HN 0.822 nan 8.310 nan 0.000 0.505 304 S N 2.436 118.290 115.700 0.256 0.000 2.643 304 S HA 0.099 4.569 4.470 -0.000 0.000 0.310 304 S C 0.838 175.498 174.600 0.100 0.000 1.253 304 S CA 0.501 58.805 58.200 0.175 0.000 1.047 304 S CB -0.320 62.933 63.200 0.088 0.000 0.767 304 S HN 1.027 nan 8.310 nan 0.000 0.498 305 T N 1.520 116.115 114.554 0.069 0.000 2.771 305 T HA 0.484 4.833 4.350 -0.000 0.000 0.291 305 T C 0.236 174.956 174.700 0.033 0.000 0.954 305 T CA -1.066 61.069 62.100 0.058 0.000 1.045 305 T CB -0.004 68.898 68.868 0.056 0.000 0.917 305 T HN 0.531 nan 8.240 nan 0.000 0.484 306 I N 4.056 124.646 120.570 0.033 0.000 2.406 306 I HA 0.256 4.425 4.170 -0.000 0.000 0.293 306 I C 1.704 177.831 176.117 0.016 0.000 1.101 306 I CA -1.054 60.257 61.300 0.018 0.000 1.334 306 I CB 0.229 38.240 38.000 0.018 0.000 1.421 306 I HN 0.653 nan 8.210 nan 0.000 0.513 307 V N 3.776 123.694 119.914 0.006 0.000 2.243 307 V HA -0.399 3.721 4.120 -0.000 0.000 0.258 307 V C 1.940 178.040 176.094 0.009 0.000 1.073 307 V CA 2.339 64.641 62.300 0.003 0.000 1.069 307 V CB -1.053 30.767 31.823 -0.004 0.000 0.681 307 V HN 1.136 nan 8.190 nan 0.000 0.457 308 K N -1.506 118.900 120.400 0.011 0.000 3.695 308 K HA -0.326 3.994 4.320 -0.000 0.000 0.416 308 K C 1.055 177.663 176.600 0.012 0.000 0.459 308 K CA 2.318 58.614 56.287 0.016 0.000 1.825 308 K CB -1.575 30.939 32.500 0.022 0.000 0.891 308 K HN 1.115 nan 8.250 nan 0.000 0.469 309 E N -0.645 119.559 120.200 0.008 0.000 3.286 309 E HA -0.164 4.186 4.350 -0.000 0.000 0.292 309 E C 0.370 176.976 176.600 0.009 0.000 0.928 309 E CA 2.016 58.420 56.400 0.006 0.000 0.982 309 E CB -1.679 28.024 29.700 0.005 0.000 1.500 309 E HN 0.621 nan 8.360 nan 0.000 0.441 310 G N -0.254 108.553 108.800 0.012 0.000 3.575 310 G HA2 0.491 4.451 3.960 -0.000 0.000 0.273 310 G HA3 0.491 4.451 3.960 -0.000 0.000 0.273 310 G C 0.514 175.422 174.900 0.014 0.000 1.053 310 G CA 0.224 45.333 45.100 0.016 0.000 0.803 310 G HN 0.826 nan 8.290 nan 0.000 0.528 311 A N 1.958 124.782 122.820 0.007 0.000 2.570 311 A HA 0.046 4.366 4.320 -0.000 0.000 0.274 311 A C 0.981 178.567 177.584 0.004 0.000 0.943 311 A CA 0.341 52.380 52.037 0.002 0.000 0.983 311 A CB -0.578 18.419 19.000 -0.005 0.000 0.802 311 A HN 0.977 nan 8.150 nan 0.000 0.456 312 N N 2.746 121.448 118.700 0.005 0.000 1.935 312 N HA -0.121 4.619 4.740 -0.000 0.000 0.304 312 N C 0.344 175.856 175.510 0.002 0.000 1.286 312 N CA 0.857 53.907 53.050 0.001 0.000 0.798 312 N CB 0.426 38.918 38.487 0.008 0.000 1.028 312 N HN 0.781 nan 8.380 nan 0.000 0.494 313 K N 2.703 123.098 120.400 -0.007 0.000 2.402 313 K HA -0.159 4.161 4.320 -0.000 0.000 0.265 313 K C 0.906 177.489 176.600 -0.028 0.000 0.978 313 K CA 0.765 57.037 56.287 -0.026 0.000 0.913 313 K CB 0.239 32.720 32.500 -0.031 0.000 0.954 313 K HN 0.837 nan 8.250 nan 0.000 0.511 314 E N 0.745 120.920 120.200 -0.041 0.000 2.130 314 E HA -0.141 4.209 4.350 -0.000 0.000 0.196 314 E C 0.928 177.474 176.600 -0.091 0.000 0.998 314 E CA 1.377 57.734 56.400 -0.071 0.000 0.806 314 E CB -0.421 29.232 29.700 -0.079 0.000 0.738 314 E HN 0.332 nan 8.360 nan 0.000 0.459 315 V N 1.870 121.749 119.914 -0.059 0.000 2.588 315 V HA 0.007 4.127 4.120 -0.000 0.000 0.329 315 V C 1.038 177.112 176.094 -0.033 0.000 1.688 315 V CA 0.661 62.928 62.300 -0.055 0.000 1.686 315 V CB -1.116 30.700 31.823 -0.011 0.000 1.383 315 V HN 0.270 nan 8.190 nan 0.000 0.492 316 L N 0.335 121.525 121.223 -0.054 0.000 2.878 316 L HA 0.473 4.813 4.340 -0.000 0.000 0.253 316 L C 1.896 178.761 176.870 -0.009 0.000 1.135 316 L CA 0.630 55.470 54.840 -0.001 0.000 0.943 316 L CB 0.512 42.581 42.059 0.017 0.000 1.307 316 L HN 0.560 nan 8.230 nan 0.000 0.545 317 G N 2.105 110.801 108.800 -0.173 0.000 5.426 317 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.297 317 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.297 317 G C 0.134 175.015 174.900 -0.031 0.000 1.422 317 G CA 0.477 45.368 45.100 -0.348 0.000 0.938 317 G HN 0.266 nan 8.290 nan 0.000 0.754 318 I N 0.609 121.261 120.570 0.137 0.000 2.433 318 I HA 0.746 4.916 4.170 -0.000 0.000 0.292 318 I C -0.371 175.798 176.117 0.086 0.000 1.001 318 I CA -1.291 60.090 61.300 0.137 0.000 1.119 318 I CB 1.643 39.760 38.000 0.196 0.000 1.289 318 I HN 0.298 nan 8.210 nan 0.000 0.438 319 L N 8.055 129.314 121.223 0.060 0.000 2.278 319 L HA 0.472 4.812 4.340 -0.000 0.000 0.287 319 L C -0.457 176.430 176.870 0.029 0.000 1.072 319 L CA -0.312 54.550 54.840 0.037 0.000 0.819 319 L CB 1.178 43.247 42.059 0.018 0.000 1.176 319 L HN 0.522 nan 8.230 nan 0.000 0.435 320 V N 3.705 123.629 119.914 0.017 0.000 2.547 320 V HA 0.749 4.869 4.120 -0.000 0.000 0.299 320 V C 0.045 176.083 176.094 -0.093 0.000 1.040 320 V CA -0.449 61.826 62.300 -0.042 0.000 0.913 320 V CB 2.015 33.847 31.823 0.015 0.000 0.992 320 V HN 0.947 nan 8.190 nan 0.000 0.449 321 S N 3.308 118.849 115.700 -0.265 0.000 2.552 321 S HA 0.756 5.226 4.470 -0.000 0.000 0.272 321 S C -1.681 172.630 174.600 -0.483 0.000 1.150 321 S CA -0.797 57.252 58.200 -0.252 0.000 0.849 321 S CB 1.264 64.376 63.200 -0.147 0.000 1.113 321 S HN 0.419 nan 8.310 nan 0.000 0.458 322 Y N 0.214 120.369 120.300 -0.242 0.000 2.598 322 Y HA 0.870 5.419 4.550 -0.000 0.000 0.340 322 Y C 0.422 176.162 175.900 -0.265 0.000 1.038 322 Y CA -0.897 57.005 58.100 -0.330 0.000 1.100 322 Y CB 2.116 40.036 38.460 -0.900 0.000 1.281 322 Y HN 0.872 nan 8.280 nan 0.000 0.488 323 R N 0.029 120.702 120.500 0.288 0.000 2.594 323 R HA 0.600 4.940 4.340 -0.000 0.000 0.265 323 R C -2.074 174.558 176.300 0.554 0.000 1.070 323 R CA -0.625 55.713 56.100 0.397 0.000 0.909 323 R CB 2.054 32.488 30.300 0.223 0.000 1.243 323 R HN 0.455 nan 8.270 nan 0.000 0.455 324 V N 3.111 123.277 119.914 0.420 0.000 2.567 324 V HA 0.422 4.542 4.120 -0.000 0.000 0.289 324 V C -0.116 176.053 176.094 0.124 0.000 1.049 324 V CA -0.336 62.071 62.300 0.178 0.000 0.969 324 V CB 1.610 33.423 31.823 -0.016 0.000 0.995 324 V HN 0.550 nan 8.190 nan 0.000 0.471 325 K N 3.292 123.741 120.400 0.082 0.000 2.345 325 K HA 0.679 4.999 4.320 -0.000 0.000 0.255 325 K C -1.731 174.868 176.600 -0.002 0.000 0.934 325 K CA -0.522 55.796 56.287 0.052 0.000 0.801 325 K CB 2.048 34.588 32.500 0.067 0.000 1.137 325 K HN 0.466 nan 8.250 nan 0.000 0.424 326 V N 4.476 124.381 119.914 -0.015 0.000 2.378 326 V HA 0.323 4.443 4.120 -0.000 0.000 0.288 326 V C -0.524 175.542 176.094 -0.048 0.000 1.016 326 V CA -0.803 61.465 62.300 -0.054 0.000 0.840 326 V CB 1.201 33.002 31.823 -0.037 0.000 0.994 326 V HN 0.709 nan 8.190 nan 0.000 0.431 327 K N 5.327 125.686 120.400 -0.069 0.000 2.323 327 K HA 0.647 4.967 4.320 -0.000 0.000 0.259 327 K C -1.208 175.354 176.600 -0.063 0.000 0.947 327 K CA -0.610 55.646 56.287 -0.051 0.000 0.819 327 K CB 1.445 33.921 32.500 -0.039 0.000 1.109 327 K HN 0.636 nan 8.250 nan 0.000 0.429 328 L N 5.104 126.298 121.223 -0.048 0.000 2.282 328 L HA 0.263 4.603 4.340 -0.000 0.000 0.287 328 L C -0.576 176.260 176.870 -0.056 0.000 1.075 328 L CA -1.001 53.805 54.840 -0.057 0.000 0.839 328 L CB 1.320 43.350 42.059 -0.047 0.000 1.219 328 L HN 0.430 nan 8.230 nan 0.000 0.434 329 V N 5.185 125.062 119.914 -0.062 0.000 2.381 329 V HA 0.058 4.178 4.120 -0.000 0.000 0.257 329 V C 0.458 176.516 176.094 -0.059 0.000 1.057 329 V CA -0.178 62.089 62.300 -0.054 0.000 1.013 329 V CB 0.941 32.733 31.823 -0.050 0.000 1.069 329 V HN 0.349 nan 8.190 nan 0.000 0.484 330 V N 4.758 124.636 119.914 -0.061 0.000 2.465 330 V HA 0.163 4.283 4.120 -0.000 0.000 0.279 330 V C 1.406 177.466 176.094 -0.056 0.000 1.045 330 V CA 0.565 62.825 62.300 -0.067 0.000 0.938 330 V CB 1.507 33.276 31.823 -0.089 0.000 0.986 330 V HN 0.937 nan 8.190 nan 0.000 0.467 331 S N 3.885 119.555 115.700 -0.049 0.000 2.392 331 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 331 S C 1.355 175.934 174.600 -0.035 0.000 1.041 331 S CA 1.349 59.526 58.200 -0.038 0.000 1.100 331 S CB -0.113 63.067 63.200 -0.033 0.000 1.029 331 S HN 0.700 nan 8.310 nan 0.000 0.424 332 R N 1.222 121.700 120.500 -0.036 0.000 2.593 332 R HA 0.396 4.736 4.340 -0.000 0.000 0.282 332 R C 0.847 177.123 176.300 -0.039 0.000 1.300 332 R CA 0.539 56.620 56.100 -0.031 0.000 1.221 332 R CB -0.743 29.541 30.300 -0.025 0.000 1.157 332 R HN 0.586 nan 8.270 nan 0.000 0.555 333 G N 2.293 111.071 108.800 -0.037 0.000 2.598 333 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.269 333 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.269 333 G C 0.195 175.053 174.900 -0.071 0.000 1.289 333 G CA -0.402 44.674 45.100 -0.040 0.000 0.926 333 G HN 1.101 nan 8.290 nan 0.000 0.567 334 G N -0.859 107.893 108.800 -0.081 0.000 2.775 334 G HA2 0.201 4.161 3.960 -0.000 0.000 0.205 334 G HA3 0.201 4.161 3.960 -0.000 0.000 0.205 334 G C -0.438 174.386 174.900 -0.127 0.000 0.201 334 G CA 1.110 46.117 45.100 -0.154 0.000 1.125 334 G HN 1.179 nan 8.290 nan 0.000 0.534 335 D N 0.815 121.181 120.400 -0.056 0.000 2.481 335 D HA 0.476 5.116 4.640 -0.000 0.000 0.246 335 D C 0.201 176.508 176.300 0.012 0.000 1.109 335 D CA -0.338 53.642 54.000 -0.033 0.000 0.845 335 D CB 1.847 42.636 40.800 -0.017 0.000 1.160 335 D HN 0.387 nan 8.370 nan 0.000 0.534 336 V N 2.142 122.057 119.914 0.002 0.000 2.439 336 V HA 0.688 4.808 4.120 -0.000 0.000 0.282 336 V C -0.019 176.085 176.094 0.017 0.000 1.039 336 V CA -0.345 61.985 62.300 0.051 0.000 0.913 336 V CB 1.353 33.200 31.823 0.041 0.000 0.983 336 V HN 0.578 nan 8.190 nan 0.000 0.460 337 S N 2.654 118.367 115.700 0.023 0.000 2.556 337 S HA 0.815 5.285 4.470 -0.000 0.000 0.271 337 S C -0.648 173.950 174.600 -0.003 0.000 1.135 337 S CA -0.780 57.422 58.200 0.003 0.000 0.858 337 S CB 2.186 65.392 63.200 0.010 0.000 1.114 337 S HN 0.818 nan 8.310 nan 0.000 0.468 338 V N -0.753 119.157 119.914 -0.007 0.000 2.914 338 V HA 0.759 4.879 4.120 -0.000 0.000 0.314 338 V C -0.953 175.149 176.094 0.014 0.000 1.084 338 V CA -0.856 61.441 62.300 -0.005 0.000 0.963 338 V CB 1.870 33.683 31.823 -0.017 0.000 1.025 338 V HN 0.903 nan 8.190 nan 0.000 0.432 339 E N 2.116 122.329 120.200 0.022 0.000 2.248 339 E HA 0.650 5.000 4.350 -0.000 0.000 0.267 339 E C -1.772 174.859 176.600 0.053 0.000 0.877 339 E CA -0.739 55.689 56.400 0.046 0.000 0.759 339 E CB 2.828 32.555 29.700 0.044 0.000 1.182 339 E HN 0.592 nan 8.360 nan 0.000 0.418 340 L N 4.512 125.789 121.223 0.090 0.000 2.324 340 L HA 0.352 4.692 4.340 -0.000 0.000 0.274 340 L C -2.474 174.525 176.870 0.216 0.000 1.012 340 L CA -1.696 53.210 54.840 0.110 0.000 0.859 340 L CB 1.249 43.355 42.059 0.078 0.000 1.224 340 L HN 0.227 nan 8.230 nan 0.000 0.429 341 P HA 0.305 nan 4.420 nan 0.000 0.269 341 P C -1.130 176.369 177.300 0.333 0.000 1.215 341 P CA -0.003 63.197 63.100 0.167 0.000 0.780 341 P CB 0.507 32.232 31.700 0.041 0.000 0.898 342 F N -0.699 119.293 119.950 0.071 0.000 2.725 342 F HA 0.459 4.986 4.527 -0.000 0.000 0.311 342 F C -1.623 174.245 175.800 0.113 0.000 1.121 342 F CA -1.503 56.550 58.000 0.089 0.000 0.978 342 F CB 0.415 39.465 39.000 0.084 0.000 1.274 342 F HN 0.242 nan 8.300 nan 0.000 0.440 343 V N 3.995 123.950 119.914 0.068 0.000 2.567 343 V HA 0.603 4.723 4.120 -0.000 0.000 0.289 343 V C -1.201 174.891 176.094 -0.004 0.000 1.049 343 V CA -0.608 61.665 62.300 -0.046 0.000 0.969 343 V CB 1.563 33.371 31.823 -0.024 0.000 0.995 343 V HN 0.961 nan 8.190 nan 0.000 0.471 344 L N 7.256 128.413 121.223 -0.110 0.000 2.276 344 L HA 0.516 4.856 4.340 -0.000 0.000 0.286 344 L C -0.518 176.264 176.870 -0.146 0.000 1.024 344 L CA -0.457 54.289 54.840 -0.157 0.000 0.826 344 L CB 1.418 43.226 42.059 -0.418 0.000 1.211 344 L HN 0.694 nan 8.230 nan 0.000 0.422 345 M N 2.601 122.058 119.600 -0.238 0.000 2.537 345 M HA 0.292 4.772 4.480 -0.000 0.000 0.324 345 M C -0.403 175.841 176.300 -0.093 0.000 1.187 345 M CA -0.715 54.507 55.300 -0.130 0.000 0.993 345 M CB 1.303 33.785 32.600 -0.195 0.000 1.666 345 M HN 0.407 nan 8.290 nan 0.000 0.461 346 H N 3.634 122.718 119.070 0.024 0.000 2.848 346 H HA 0.248 4.803 4.556 -0.000 0.000 0.341 346 H C -2.123 173.443 175.328 0.397 0.000 1.060 346 H CA -0.267 55.863 56.048 0.137 0.000 1.444 346 H CB 0.616 30.517 29.762 0.232 0.000 1.446 346 H HN 0.245 nan 8.280 nan 0.000 0.583 347 P HA 0.143 nan 4.420 nan 0.000 0.274 347 P C -0.547 176.710 177.300 -0.071 0.000 1.256 347 P CA -0.369 62.708 63.100 -0.039 0.000 0.795 347 P CB 1.175 32.804 31.700 -0.118 0.000 1.038 386 I N 1.423 121.952 120.570 -0.068 0.000 2.472 386 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 386 I C 0.042 176.112 176.117 -0.077 0.000 1.016 386 I CA -0.570 60.695 61.300 -0.058 0.000 1.348 386 I CB 1.612 39.569 38.000 -0.072 0.000 1.417 386 I HN 0.091 nan 8.210 nan 0.000 0.521 387 V N 5.761 125.672 119.914 -0.004 0.000 2.876 387 V HA 0.377 4.497 4.120 -0.000 0.000 0.312 387 V C -0.864 175.393 176.094 0.272 0.000 1.085 387 V CA -0.645 61.668 62.300 0.022 0.000 0.945 387 V CB 2.388 34.206 31.823 -0.007 0.000 1.017 387 V HN 0.337 nan 8.190 nan 0.000 0.428 388 F N 2.041 121.953 119.950 -0.064 0.000 2.319 388 F HA 0.427 4.954 4.527 -0.000 0.000 0.356 388 F C 0.622 176.407 175.800 -0.027 0.000 1.100 388 F CA -1.156 56.824 58.000 -0.033 0.000 1.220 388 F CB 0.621 39.647 39.000 0.043 0.000 1.506 388 F HN 0.590 nan 8.300 nan 0.000 0.512 389 E N 1.433 121.649 120.200 0.027 0.000 2.384 389 E HA -0.011 4.339 4.350 -0.000 0.000 0.266 389 E C -0.553 176.119 176.600 0.119 0.000 1.012 389 E CA -0.291 56.127 56.400 0.030 0.000 0.901 389 E CB 0.684 30.349 29.700 -0.058 0.000 0.967 389 E HN 0.388 nan 8.360 nan 0.000 0.435 390 D N 3.664 124.160 120.400 0.160 0.000 2.351 390 D HA -0.030 4.610 4.640 -0.000 0.000 0.251 390 D C 0.441 176.898 176.300 0.262 0.000 1.137 390 D CA 0.029 54.142 54.000 0.189 0.000 0.879 390 D CB 0.457 41.343 40.800 0.144 0.000 1.181 390 D HN 0.460 nan 8.370 nan 0.000 0.448 391 F N 4.124 124.163 119.950 0.147 0.000 2.026 391 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 391 F C 1.344 177.163 175.800 0.033 0.000 1.133 391 F CA 1.285 59.369 58.000 0.139 0.000 1.188 391 F CB -0.389 38.666 39.000 0.091 0.000 0.968 391 F HN 0.464 nan 8.300 nan 0.000 0.476 392 A N 2.463 125.555 122.820 0.454 0.000 2.540 392 A HA -0.007 4.313 4.320 -0.000 0.000 0.268 392 A C 0.370 177.959 177.584 0.009 0.000 1.061 392 A CA -0.036 52.163 52.037 0.270 0.000 0.821 392 A CB -0.614 18.489 19.000 0.171 0.000 0.970 392 A HN 0.560 nan 8.150 nan 0.000 0.524 393 R N 0.000 120.395 120.500 -0.175 0.000 2.786 393 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 393 R CA 0.000 55.884 56.100 -0.361 0.000 0.921 393 R CB 0.000 29.919 30.300 -0.634 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535