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 1dv2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIKMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 L N 2.731 123.958 121.223 0.006 0.000 2.559 2 L HA -0.021 4.319 4.340 0.001 0.000 0.274 2 L C 0.915 177.796 176.870 0.018 0.000 1.205 2 L CA 0.084 54.932 54.840 0.013 0.000 0.907 2 L CB -0.032 42.035 42.059 0.014 0.000 1.153 2 L HN 0.708 nan 8.230 nan 0.000 0.490 3 D N 1.977 122.390 120.400 0.023 0.000 2.097 3 D HA -0.074 4.566 4.640 0.001 0.000 0.197 3 D C 0.573 176.889 176.300 0.026 0.000 0.984 3 D CA 1.470 55.484 54.000 0.023 0.000 0.826 3 D CB 0.349 41.164 40.800 0.025 0.000 0.973 3 D HN 0.514 nan 8.370 nan 0.000 0.460 4 K N -0.175 120.245 120.400 0.034 0.000 2.579 4 K HA 0.239 4.559 4.320 0.001 0.000 0.257 4 K C -1.588 175.036 176.600 0.040 0.000 0.950 4 K CA -0.649 55.658 56.287 0.034 0.000 0.862 4 K CB 0.739 33.260 32.500 0.035 0.000 1.317 4 K HN 0.114 nan 8.250 nan 0.000 0.436 5 I N 0.774 121.365 120.570 0.034 0.000 2.797 5 I HA 0.615 4.785 4.170 0.001 0.000 0.307 5 I C -1.054 175.078 176.117 0.025 0.000 1.033 5 I CA -1.061 60.259 61.300 0.034 0.000 1.071 5 I CB 2.167 40.192 38.000 0.041 0.000 1.255 5 I HN 0.264 nan 8.210 nan 0.000 0.445 6 V N 5.185 125.106 119.914 0.011 0.000 2.509 6 V HA 0.319 4.440 4.120 0.001 0.000 0.284 6 V C 0.258 176.377 176.094 0.042 0.000 1.047 6 V CA -0.299 62.006 62.300 0.008 0.000 0.952 6 V CB 1.399 33.202 31.823 -0.033 0.000 0.988 6 V HN 0.514 nan 8.190 nan 0.000 0.469 7 I N 4.407 125.001 120.570 0.040 0.000 2.317 7 I HA 0.286 4.457 4.170 0.001 0.000 0.286 7 I C 1.129 177.262 176.117 0.027 0.000 1.119 7 I CA -0.150 61.157 61.300 0.012 0.000 1.228 7 I CB 1.009 38.998 38.000 -0.019 0.000 1.476 7 I HN 0.705 nan 8.210 nan 0.000 0.514 8 A N 4.953 127.805 122.820 0.053 0.000 2.626 8 A HA 0.115 4.436 4.320 0.001 0.000 0.238 8 A C 0.499 178.095 177.584 0.020 0.000 1.641 8 A CA 0.489 52.569 52.037 0.072 0.000 1.449 8 A CB -0.767 18.331 19.000 0.165 0.000 0.888 8 A HN 0.728 nan 8.150 nan 0.000 0.628 9 N N -0.133 118.540 118.700 -0.046 0.000 3.587 9 N HA 0.512 5.252 4.740 0.001 0.000 0.339 9 N C -0.795 174.511 175.510 -0.339 0.000 1.636 9 N CA -0.256 52.671 53.050 -0.206 0.000 0.788 9 N CB 1.224 39.570 38.487 -0.236 0.000 2.205 9 N HN 0.598 nan 8.380 nan 0.000 0.600 10 R N -1.133 119.056 120.500 -0.519 0.000 2.741 10 R HA 0.583 4.923 4.340 0.001 0.000 0.274 10 R C 0.162 176.121 176.300 -0.567 0.000 1.029 10 R CA -0.050 55.727 56.100 -0.538 0.000 0.880 10 R CB 0.185 30.012 30.300 -0.788 0.000 1.264 10 R HN 0.731 nan 8.270 nan 0.000 0.465 11 G N 1.115 109.560 108.800 -0.591 0.000 2.598 11 G HA2 -0.396 3.564 3.960 0.001 0.000 0.244 11 G HA3 -0.396 3.564 3.960 0.001 0.000 0.244 11 G C 0.582 175.004 174.900 -0.797 0.000 1.302 11 G CA 0.969 45.500 45.100 -0.948 0.000 0.903 11 G HN 1.092 nan 8.290 nan 0.000 0.575 12 E N -0.304 119.564 120.200 -0.554 0.000 2.058 12 E HA -0.075 4.275 4.350 0.001 0.000 0.194 12 E C 2.501 178.950 176.600 -0.251 0.000 0.997 12 E CA 2.292 58.577 56.400 -0.192 0.000 0.801 12 E CB -0.221 29.463 29.700 -0.027 0.000 0.746 12 E HN 0.998 nan 8.360 nan 0.000 0.450 13 I N 1.097 121.476 120.570 -0.319 0.000 2.194 13 I HA -0.278 3.893 4.170 0.001 0.000 0.246 13 I C 2.329 178.191 176.117 -0.425 0.000 1.093 13 I CA 1.858 62.921 61.300 -0.396 0.000 1.355 13 I CB -0.728 36.813 38.000 -0.765 0.000 1.046 13 I HN 0.287 nan 8.210 nan 0.000 0.413 14 A N -0.167 122.324 122.820 -0.548 0.000 1.902 14 A HA -0.188 4.133 4.320 0.001 0.000 0.217 14 A C 2.208 179.516 177.584 -0.460 0.000 1.181 14 A CA 1.860 53.491 52.037 -0.676 0.000 0.623 14 A CB -1.067 17.126 19.000 -1.344 0.000 0.818 14 A HN 0.489 nan 8.150 nan 0.000 0.443 15 L N 0.012 121.030 121.223 -0.341 0.000 2.017 15 L HA -0.113 4.228 4.340 0.001 0.000 0.208 15 L C 2.421 179.231 176.870 -0.100 0.000 1.073 15 L CA 2.503 57.269 54.840 -0.123 0.000 0.745 15 L CB -0.922 41.090 42.059 -0.078 0.000 0.894 15 L HN 0.493 nan 8.230 nan 0.000 0.432 16 R N -0.081 120.345 120.500 -0.124 0.000 2.096 16 R HA -0.169 4.171 4.340 0.001 0.000 0.240 16 R C 2.225 178.483 176.300 -0.072 0.000 1.139 16 R CA 2.290 58.349 56.100 -0.068 0.000 0.952 16 R CB -0.728 29.553 30.300 -0.031 0.000 0.854 16 R HN 0.494 nan 8.270 nan 0.000 0.436 17 I N 0.315 120.796 120.570 -0.150 0.000 2.286 17 I HA -0.223 3.948 4.170 0.001 0.000 0.248 17 I C 2.246 178.310 176.117 -0.089 0.000 1.115 17 I CA 0.865 62.067 61.300 -0.164 0.000 1.392 17 I CB -0.239 37.565 38.000 -0.327 0.000 1.065 17 I HN 0.253 nan 8.210 nan 0.000 0.418 18 L N 0.840 122.015 121.223 -0.079 0.000 2.017 18 L HA -0.215 4.125 4.340 0.001 0.000 0.208 18 L C 2.710 179.576 176.870 -0.007 0.000 1.073 18 L CA 1.659 56.489 54.840 -0.017 0.000 0.745 18 L CB -0.332 41.740 42.059 0.022 0.000 0.894 18 L HN 0.047 nan 8.230 nan 0.000 0.432 19 R N -0.312 120.181 120.500 -0.012 0.000 2.115 19 R HA -0.234 4.106 4.340 0.001 0.000 0.239 19 R C 2.329 178.632 176.300 0.005 0.000 1.133 19 R CA 1.835 57.935 56.100 0.001 0.000 0.935 19 R CB -0.968 29.333 30.300 0.002 0.000 0.853 19 R HN 0.561 nan 8.270 nan 0.000 0.433 20 A N 0.456 123.279 122.820 0.004 0.000 1.948 20 A HA -0.235 4.085 4.320 0.001 0.000 0.220 20 A C 2.432 180.023 177.584 0.012 0.000 1.177 20 A CA 1.782 53.826 52.037 0.012 0.000 0.636 20 A CB -0.983 18.026 19.000 0.015 0.000 0.815 20 A HN 0.541 nan 8.150 nan 0.000 0.449 21 C N -0.461 118.844 119.300 0.009 0.000 2.413 21 C HA -0.110 4.351 4.460 0.001 0.000 0.277 21 C C 2.703 177.701 174.990 0.013 0.000 1.228 21 C CA 1.277 60.303 59.018 0.014 0.000 1.731 21 C CB -0.986 26.763 27.740 0.015 0.000 2.042 21 C HN 0.606 nan 8.230 nan 0.000 0.468 22 K N 0.830 121.237 120.400 0.011 0.000 2.103 22 K HA -0.191 4.129 4.320 0.001 0.000 0.207 22 K C 1.726 178.333 176.600 0.011 0.000 1.048 22 K CA 1.548 57.842 56.287 0.011 0.000 0.930 22 K CB -0.377 32.129 32.500 0.011 0.000 0.716 22 K HN 0.676 nan 8.250 nan 0.000 0.444 23 E N 0.643 120.849 120.200 0.011 0.000 2.208 23 E HA -0.077 4.273 4.350 0.001 0.000 0.193 23 E C 1.773 178.379 176.600 0.010 0.000 0.988 23 E CA 0.602 57.008 56.400 0.011 0.000 0.828 23 E CB 0.038 29.745 29.700 0.012 0.000 0.763 23 E HN 0.245 nan 8.360 nan 0.000 0.478 24 L N -0.340 120.889 121.223 0.011 0.000 2.567 24 L HA 0.184 4.524 4.340 0.001 0.000 0.225 24 L C 1.180 178.056 176.870 0.009 0.000 1.119 24 L CA 0.296 55.142 54.840 0.010 0.000 0.871 24 L CB 0.170 42.235 42.059 0.010 0.000 1.036 24 L HN 0.303 nan 8.230 nan 0.000 0.459 25 G N 1.246 110.052 108.800 0.010 0.000 2.147 25 G HA2 -0.287 3.674 3.960 0.001 0.000 0.244 25 G HA3 -0.287 3.674 3.960 0.001 0.000 0.244 25 G C 0.167 175.074 174.900 0.012 0.000 1.005 25 G CA -0.200 44.906 45.100 0.010 0.000 0.713 25 G HN 0.278 nan 8.290 nan 0.000 0.515 26 I N 0.601 121.179 120.570 0.013 0.000 2.471 26 I HA 0.241 4.412 4.170 0.001 0.000 0.286 26 I C 0.941 177.068 176.117 0.018 0.000 1.079 26 I CA -0.347 60.963 61.300 0.016 0.000 1.398 26 I CB 0.724 38.735 38.000 0.019 0.000 1.403 26 I HN -0.006 nan 8.210 nan 0.000 0.530 27 K N 3.875 124.286 120.400 0.019 0.000 2.319 27 K HA 0.256 4.576 4.320 0.001 0.000 0.265 27 K C -0.037 176.576 176.600 0.022 0.000 1.000 27 K CA -0.067 56.231 56.287 0.019 0.000 0.943 27 K CB 0.617 33.127 32.500 0.018 0.000 0.950 27 K HN 0.691 nan 8.250 nan 0.000 0.485 28 T N -2.127 112.440 114.554 0.021 0.000 2.876 28 T HA 0.596 4.947 4.350 0.001 0.000 0.289 28 T C -0.809 173.906 174.700 0.026 0.000 1.014 28 T CA -0.984 61.132 62.100 0.027 0.000 0.986 28 T CB 1.188 70.076 68.868 0.033 0.000 1.021 28 T HN 0.098 nan 8.240 nan 0.000 0.458 29 V N 2.115 122.047 119.914 0.030 0.000 2.376 29 V HA 0.721 4.841 4.120 0.001 0.000 0.287 29 V C 0.223 176.346 176.094 0.048 0.000 1.015 29 V CA -0.950 61.365 62.300 0.026 0.000 0.834 29 V CB 1.082 32.910 31.823 0.009 0.000 1.001 29 V HN 1.268 nan 8.190 nan 0.000 0.428 30 A N 5.398 128.251 122.820 0.057 0.000 2.253 30 A HA 0.747 5.067 4.320 0.001 0.000 0.316 30 A C -0.156 177.496 177.584 0.114 0.000 1.327 30 A CA -0.487 51.612 52.037 0.104 0.000 0.917 30 A CB 0.831 19.821 19.000 -0.017 0.000 1.162 30 A HN 1.185 nan 8.150 nan 0.000 0.535 31 V N 2.175 122.154 119.914 0.108 0.000 2.481 31 V HA 0.852 4.972 4.120 0.001 0.000 0.286 31 V C -0.368 175.766 176.094 0.067 0.000 1.042 31 V CA -0.311 61.990 62.300 0.002 0.000 0.928 31 V CB 0.376 32.157 31.823 -0.070 0.000 0.986 31 V HN 1.144 nan 8.190 nan 0.000 0.462 32 H N 1.401 120.404 119.070 -0.111 0.000 2.990 32 H HA 0.809 5.365 4.556 0.001 0.000 0.343 32 H C -0.367 174.788 175.328 -0.288 0.000 1.270 32 H CA -0.243 55.731 56.048 -0.123 0.000 1.118 32 H CB 1.265 31.039 29.762 0.019 0.000 1.861 32 H HN 0.916 nan 8.280 nan 0.000 0.544 33 S N 0.164 115.761 115.700 -0.172 0.000 2.585 33 S HA 0.176 4.646 4.470 0.001 0.000 0.277 33 S C 1.290 176.003 174.600 0.187 0.000 1.241 33 S CA -0.153 57.968 58.200 -0.132 0.000 1.041 33 S CB 1.118 64.284 63.200 -0.058 0.000 0.987 33 S HN 1.150 nan 8.310 nan 0.000 0.512 34 S N 2.334 118.071 115.700 0.061 0.000 2.461 34 S HA -0.174 4.297 4.470 0.001 0.000 0.246 34 S C 1.549 176.240 174.600 0.151 0.000 1.007 34 S CA 0.989 59.253 58.200 0.107 0.000 0.976 34 S CB -0.870 62.338 63.200 0.013 0.000 0.763 34 S HN 1.216 nan 8.310 nan 0.000 0.508 35 A N 0.620 123.553 122.820 0.189 0.000 2.220 35 A HA 0.248 4.569 4.320 0.001 0.000 0.211 35 A C 1.197 178.958 177.584 0.296 0.000 1.176 35 A CA 0.302 52.482 52.037 0.240 0.000 0.834 35 A CB 0.190 19.369 19.000 0.298 0.000 0.868 35 A HN 0.476 nan 8.150 nan 0.000 0.488 36 D N -0.419 120.169 120.400 0.312 0.000 2.587 36 D HA 0.115 4.755 4.640 0.001 0.000 0.233 36 D C 1.254 177.595 176.300 0.069 0.000 1.213 36 D CA -0.059 54.102 54.000 0.268 0.000 0.827 36 D CB 0.199 41.180 40.800 0.301 0.000 1.006 36 D HN 0.375 nan 8.370 nan 0.000 0.490 37 R N 0.540 121.055 120.500 0.025 0.000 2.237 37 R HA -0.067 4.273 4.340 0.001 0.000 0.219 37 R C 0.454 176.683 176.300 -0.119 0.000 1.080 37 R CA 0.878 56.855 56.100 -0.206 0.000 0.995 37 R CB 0.349 30.625 30.300 -0.041 0.000 0.875 37 R HN -0.066 nan 8.270 nan 0.000 0.462 38 D N 0.163 120.604 120.400 0.068 0.000 2.342 38 D HA 0.059 4.699 4.640 0.001 0.000 0.221 38 D C -0.147 176.312 176.300 0.265 0.000 1.101 38 D CA 0.082 54.196 54.000 0.189 0.000 0.837 38 D CB 0.261 41.246 40.800 0.309 0.000 0.938 38 D HN 0.193 nan 8.370 nan 0.000 0.508 39 L N 1.027 122.334 121.223 0.140 0.000 2.453 39 L HA 0.009 4.349 4.340 0.001 0.000 0.272 39 L C 1.848 178.746 176.870 0.047 0.000 1.182 39 L CA -0.367 54.552 54.840 0.132 0.000 0.858 39 L CB 0.813 42.945 42.059 0.121 0.000 1.120 39 L HN -0.261 nan 8.230 nan 0.000 0.474 40 K N 2.690 123.162 120.400 0.121 0.000 2.000 40 K HA -0.275 4.046 4.320 0.001 0.000 0.218 40 K C 2.164 178.777 176.600 0.021 0.000 1.053 40 K CA 2.312 58.641 56.287 0.069 0.000 0.946 40 K CB -0.431 32.142 32.500 0.122 0.000 0.723 40 K HN 0.783 nan 8.250 nan 0.000 0.446 41 H N -0.208 118.844 119.070 -0.030 0.000 2.422 41 H HA -0.066 4.490 4.556 0.001 0.000 0.298 41 H C 1.795 177.098 175.328 -0.040 0.000 1.098 41 H CA 1.722 57.741 56.048 -0.047 0.000 1.315 41 H CB -0.577 29.139 29.762 -0.076 0.000 1.382 41 H HN 0.068 nan 8.280 nan 0.000 0.523 42 V N 1.834 121.324 119.914 -0.706 0.000 2.343 42 V HA -0.239 3.881 4.120 0.001 0.000 0.247 42 V C 3.094 179.023 176.094 -0.274 0.000 1.051 42 V CA 1.622 63.561 62.300 -0.602 0.000 1.036 42 V CB -0.576 30.929 31.823 -0.529 0.000 0.654 42 V HN 0.305 nan 8.190 nan 0.000 0.451 43 L N -0.836 120.279 121.223 -0.180 0.000 2.201 43 L HA -0.111 4.229 4.340 0.001 0.000 0.212 43 L C 2.140 178.961 176.870 -0.082 0.000 1.105 43 L CA 1.213 55.985 54.840 -0.113 0.000 0.775 43 L CB -0.453 41.547 42.059 -0.099 0.000 0.913 43 L HN 0.303 nan 8.230 nan 0.000 0.440 44 L N -0.589 120.592 121.223 -0.071 0.000 2.477 44 L HA 0.207 4.547 4.340 0.001 0.000 0.220 44 L C 1.539 178.394 176.870 -0.024 0.000 1.106 44 L CA -0.443 54.376 54.840 -0.035 0.000 0.851 44 L CB -0.318 41.735 42.059 -0.010 0.000 0.994 44 L HN 0.121 nan 8.230 nan 0.000 0.462 45 A N 0.407 123.204 122.820 -0.039 0.000 2.475 45 A HA -0.049 4.272 4.320 0.001 0.000 0.239 45 A C 0.800 178.377 177.584 -0.012 0.000 1.087 45 A CA 0.099 52.127 52.037 -0.014 0.000 0.779 45 A CB 0.159 19.144 19.000 -0.025 0.000 1.036 45 A HN 0.212 nan 8.150 nan 0.000 0.506 46 D N -0.061 120.339 120.400 0.001 0.000 2.213 46 D HA 0.037 4.678 4.640 0.001 0.000 0.205 46 D C 0.301 176.602 176.300 0.001 0.000 0.961 46 D CA 1.203 55.204 54.000 0.002 0.000 0.853 46 D CB 0.317 41.121 40.800 0.007 0.000 0.967 46 D HN 0.703 nan 8.370 nan 0.000 0.496 47 E N -0.667 119.536 120.200 0.004 0.000 2.340 47 E HA 0.418 4.768 4.350 0.001 0.000 0.273 47 E C -1.149 175.458 176.600 0.011 0.000 0.891 47 E CA -0.371 56.032 56.400 0.007 0.000 0.757 47 E CB 2.831 32.536 29.700 0.009 0.000 1.231 47 E HN -0.230 nan 8.360 nan 0.000 0.439 48 T N 0.896 115.462 114.554 0.019 0.000 2.916 48 T HA 0.657 5.008 4.350 0.001 0.000 0.292 48 T C -1.560 173.166 174.700 0.044 0.000 1.055 48 T CA -0.507 61.624 62.100 0.052 0.000 1.009 48 T CB 1.394 70.299 68.868 0.063 0.000 1.118 48 T HN 0.153 nan 8.240 nan 0.000 0.497 49 V N 1.711 121.644 119.914 0.030 0.000 2.789 49 V HA 0.333 4.454 4.120 0.001 0.000 0.300 49 V C -0.426 175.439 176.094 -0.382 0.000 1.184 49 V CA -1.152 61.085 62.300 -0.105 0.000 0.930 49 V CB 1.662 33.427 31.823 -0.098 0.000 1.041 49 V HN 1.063 nan 8.190 nan 0.000 0.430 50 C N 6.584 125.621 119.300 -0.440 0.000 2.322 50 C HA 0.480 4.940 4.460 0.001 0.000 0.343 50 C C 1.794 176.548 174.990 -0.393 0.000 1.190 50 C CA -0.248 58.370 59.018 -0.668 0.000 1.704 50 C CB -1.273 26.235 27.740 -0.386 0.000 2.293 50 C HN 0.865 nan 8.230 nan 0.000 0.523 51 I N 4.131 124.441 120.570 -0.434 0.000 3.226 51 I HA 0.455 4.626 4.170 0.001 0.000 0.277 51 I C 1.001 176.955 176.117 -0.273 0.000 1.243 51 I CA 0.780 61.891 61.300 -0.315 0.000 1.459 51 I CB -0.283 37.513 38.000 -0.341 0.000 1.093 51 I HN 0.693 nan 8.210 nan 0.000 0.453 52 G N 0.869 109.494 108.800 -0.292 0.000 2.325 52 G HA2 0.347 4.307 3.960 0.001 0.000 0.295 52 G HA3 0.347 4.307 3.960 0.001 0.000 0.295 52 G C -3.311 171.482 174.900 -0.177 0.000 1.274 52 G CA -0.705 44.269 45.100 -0.211 0.000 0.857 52 G HN -0.146 nan 8.290 nan 0.000 0.499 53 P HA 0.449 nan 4.420 nan 0.000 0.279 53 P C 1.127 178.348 177.300 -0.132 0.000 1.252 53 P CA 0.653 63.679 63.100 -0.123 0.000 0.811 53 P CB 1.395 33.026 31.700 -0.114 0.000 1.035 54 A N 3.321 126.019 122.820 -0.202 0.000 1.900 54 A HA -0.172 4.149 4.320 0.001 0.000 0.225 54 A C -1.079 176.421 177.584 -0.140 0.000 1.414 54 A CA 1.818 53.654 52.037 -0.334 0.000 0.702 54 A CB -2.984 15.310 19.000 -1.176 0.000 0.845 54 A HN 0.559 nan 8.150 nan 0.000 0.478 55 P HA 0.148 nan 4.420 nan 0.000 0.263 55 P C 0.599 177.958 177.300 0.099 0.000 1.195 55 P CA 0.633 63.721 63.100 -0.019 0.000 0.762 55 P CB 0.719 32.397 31.700 -0.037 0.000 0.799 56 S N 2.436 118.286 115.700 0.250 0.000 2.365 56 S HA -0.159 4.312 4.470 0.001 0.000 0.225 56 S C 1.873 176.538 174.600 0.107 0.000 1.039 56 S CA 1.355 59.716 58.200 0.268 0.000 1.033 56 S CB -0.825 62.632 63.200 0.428 0.000 0.887 56 S HN 0.427 nan 8.310 nan 0.000 0.447 57 V N 1.314 121.283 119.914 0.090 0.000 2.828 57 V HA -0.131 3.989 4.120 0.001 0.000 0.260 57 V C 1.720 177.806 176.094 -0.012 0.000 1.101 57 V CA 1.633 63.957 62.300 0.040 0.000 1.123 57 V CB -0.352 31.495 31.823 0.039 0.000 0.704 57 V HN 0.395 nan 8.190 nan 0.000 0.493 58 K N -1.140 119.240 120.400 -0.034 0.000 2.391 58 K HA 0.158 4.478 4.320 0.001 0.000 0.197 58 K C 1.593 178.108 176.600 -0.142 0.000 1.087 58 K CA 0.809 57.050 56.287 -0.077 0.000 1.012 58 K CB 0.756 33.214 32.500 -0.069 0.000 0.925 58 K HN 0.659 nan 8.250 nan 0.000 0.547 59 S N -0.176 115.415 115.700 -0.181 0.000 3.064 59 S HA 0.032 4.502 4.470 0.001 0.000 0.170 59 S C 1.577 175.912 174.600 -0.442 0.000 0.713 59 S CA -0.273 57.697 58.200 -0.384 0.000 0.891 59 S CB -0.946 61.936 63.200 -0.529 0.000 0.772 59 S HN 0.068 nan 8.310 nan 0.000 0.701 60 Y N 2.135 122.243 120.300 -0.319 0.000 2.425 60 Y HA 0.090 4.640 4.550 0.001 0.000 0.285 60 Y C 1.776 177.426 175.900 -0.416 0.000 1.170 60 Y CA 0.810 58.577 58.100 -0.554 0.000 1.304 60 Y CB -0.727 37.017 38.460 -1.192 0.000 0.972 60 Y HN 0.218 nan 8.280 nan 0.000 0.558 61 L N -0.666 120.485 121.223 -0.120 0.000 2.808 61 L HA 0.162 4.502 4.340 0.001 0.000 0.246 61 L C 0.423 177.229 176.870 -0.106 0.000 1.153 61 L CA -0.199 54.597 54.840 -0.074 0.000 0.956 61 L CB -0.005 42.083 42.059 0.049 0.000 1.270 61 L HN -0.062 nan 8.230 nan 0.000 0.528 62 N N 1.618 120.237 118.700 -0.135 0.000 2.605 62 N HA 0.147 4.888 4.740 0.001 0.000 0.258 62 N C 1.192 176.642 175.510 -0.100 0.000 1.156 62 N CA 0.147 53.133 53.050 -0.108 0.000 1.008 62 N CB 0.307 38.717 38.487 -0.128 0.000 1.354 62 N HN 0.209 nan 8.380 nan 0.000 0.509 63 I N 2.969 123.498 120.570 -0.068 0.000 2.185 63 I HA -0.248 3.923 4.170 0.001 0.000 0.246 63 I C -0.758 175.398 176.117 0.065 0.000 1.088 63 I CA 1.251 62.556 61.300 0.007 0.000 1.347 63 I CB -0.745 37.308 38.000 0.089 0.000 1.041 63 I HN 0.388 nan 8.210 nan 0.000 0.415 64 P HA -0.044 nan 4.420 nan 0.000 0.217 64 P C 1.590 178.888 177.300 -0.003 0.000 1.154 64 P CA 1.521 64.637 63.100 0.026 0.000 0.841 64 P CB 0.001 31.708 31.700 0.011 0.000 0.788 65 A N -0.340 122.457 122.820 -0.038 0.000 1.892 65 A HA -0.217 4.104 4.320 0.001 0.000 0.218 65 A C 2.210 179.748 177.584 -0.077 0.000 1.188 65 A CA 1.730 53.723 52.037 -0.073 0.000 0.631 65 A CB -1.709 17.221 19.000 -0.116 0.000 0.822 65 A HN 0.107 nan 8.150 nan 0.000 0.447 66 I N -0.843 119.689 120.570 -0.064 0.000 2.286 66 I HA -0.190 3.980 4.170 0.001 0.000 0.245 66 I C 2.344 178.437 176.117 -0.041 0.000 1.104 66 I CA 1.096 62.367 61.300 -0.047 0.000 1.397 66 I CB -0.200 37.798 38.000 -0.002 0.000 1.072 66 I HN 0.303 nan 8.210 nan 0.000 0.417 67 I N 0.078 120.653 120.570 0.009 0.000 2.315 67 I HA -0.294 3.876 4.170 0.001 0.000 0.248 67 I C 2.757 178.833 176.117 -0.067 0.000 1.117 67 I CA 1.527 62.802 61.300 -0.040 0.000 1.404 67 I CB -0.137 37.908 38.000 0.076 0.000 1.071 67 I HN 0.268 nan 8.210 nan 0.000 0.419 68 S N 0.929 116.619 115.700 -0.017 0.000 2.402 68 S HA -0.111 4.360 4.470 0.001 0.000 0.229 68 S C 2.222 176.803 174.600 -0.032 0.000 1.021 68 S CA 1.013 59.213 58.200 -0.000 0.000 0.974 68 S CB -0.173 63.027 63.200 0.001 0.000 0.800 68 S HN 0.412 nan 8.310 nan 0.000 0.484 69 A N 1.338 124.116 122.820 -0.070 0.000 1.978 69 A HA 0.202 4.523 4.320 0.001 0.000 0.220 69 A C 2.469 179.999 177.584 -0.090 0.000 1.170 69 A CA 1.839 53.828 52.037 -0.080 0.000 0.636 69 A CB -1.321 17.620 19.000 -0.098 0.000 0.810 69 A HN 0.893 nan 8.150 nan 0.000 0.448 70 A N -0.949 121.765 122.820 -0.176 0.000 1.898 70 A HA -0.034 4.287 4.320 0.001 0.000 0.214 70 A C 1.990 179.566 177.584 -0.014 0.000 1.183 70 A CA 1.391 53.278 52.037 -0.250 0.000 0.622 70 A CB -0.361 18.104 19.000 -0.891 0.000 0.824 70 A HN 0.392 nan 8.150 nan 0.000 0.444 71 E N 0.413 120.663 120.200 0.083 0.000 2.033 71 E HA -0.226 4.124 4.350 0.001 0.000 0.199 71 E C 1.946 178.614 176.600 0.114 0.000 1.011 71 E CA 1.877 58.410 56.400 0.220 0.000 0.815 71 E CB -0.559 29.247 29.700 0.177 0.000 0.755 71 E HN 0.760 nan 8.360 nan 0.000 0.451 72 I N -0.305 120.297 120.570 0.055 0.000 2.454 72 I HA -0.171 4.000 4.170 0.001 0.000 0.254 72 I C 2.133 178.268 176.117 0.031 0.000 1.156 72 I CA 1.960 63.279 61.300 0.033 0.000 1.433 72 I CB -1.377 36.629 38.000 0.010 0.000 1.082 72 I HN -0.019 nan 8.210 nan 0.000 0.432 73 T N -2.346 112.226 114.554 0.030 0.000 3.035 73 T HA 0.415 4.766 4.350 0.001 0.000 0.259 73 T C 1.701 176.430 174.700 0.048 0.000 1.078 73 T CA 0.406 62.522 62.100 0.026 0.000 1.132 73 T CB -0.503 68.369 68.868 0.007 0.000 0.900 73 T HN 0.901 nan 8.240 nan 0.000 0.480 74 G N 1.615 110.466 108.800 0.086 0.000 2.149 74 G HA2 0.041 4.001 3.960 0.001 0.000 0.235 74 G HA3 0.041 4.001 3.960 0.001 0.000 0.235 74 G C 0.230 175.201 174.900 0.118 0.000 1.018 74 G CA -0.070 45.093 45.100 0.106 0.000 0.728 74 G HN 1.074 nan 8.290 nan 0.000 0.508 75 A N -0.852 122.043 122.820 0.126 0.000 2.327 75 A HA 0.788 5.108 4.320 0.001 0.000 0.255 75 A C 1.721 179.443 177.584 0.229 0.000 1.099 75 A CA 0.688 52.793 52.037 0.114 0.000 0.801 75 A CB 0.835 19.859 19.000 0.040 0.000 1.062 75 A HN 1.566 nan 8.150 nan 0.000 0.496 76 V N -3.397 116.627 119.914 0.182 0.000 3.621 76 V HA 0.613 4.734 4.120 0.001 0.000 0.263 76 V C 0.661 176.906 176.094 0.252 0.000 1.272 76 V CA 0.883 63.312 62.300 0.214 0.000 1.080 76 V CB -1.029 30.854 31.823 0.100 0.000 0.816 76 V HN 1.528 nan 8.190 nan 0.000 0.451 77 A N -0.094 122.823 122.820 0.162 0.000 2.564 77 A HA 0.899 5.219 4.320 0.001 0.000 0.288 77 A C -1.275 176.329 177.584 0.032 0.000 1.164 77 A CA -0.732 51.369 52.037 0.108 0.000 0.712 77 A CB 1.832 20.856 19.000 0.039 0.000 1.303 77 A HN 0.258 nan 8.150 nan 0.000 0.418 78 I N 1.035 121.611 120.570 0.011 0.000 2.534 78 I HA 0.302 4.473 4.170 0.001 0.000 0.288 78 I C -1.265 174.856 176.117 0.006 0.000 1.077 78 I CA -0.480 60.833 61.300 0.021 0.000 1.051 78 I CB 2.119 40.145 38.000 0.043 0.000 1.234 78 I HN 0.735 nan 8.210 nan 0.000 0.425 79 H N 8.523 127.563 119.070 -0.049 0.000 2.551 79 H HA 0.398 4.955 4.556 0.001 0.000 0.321 79 H C -2.217 173.093 175.328 -0.031 0.000 1.028 79 H CA -2.484 53.504 56.048 -0.100 0.000 1.215 79 H CB 2.114 31.817 29.762 -0.099 0.000 1.414 79 H HN 0.273 nan 8.280 nan 0.000 0.480 80 P HA 0.082 nan 4.420 nan 0.000 0.240 80 P C 0.922 178.332 177.300 0.183 0.000 1.190 80 P CA 1.163 64.454 63.100 0.318 0.000 0.781 80 P CB 0.694 32.624 31.700 0.384 0.000 0.931 81 G N 0.797 109.698 108.800 0.168 0.000 2.596 81 G HA2 -0.247 3.713 3.960 0.001 0.000 0.304 81 G HA3 -0.247 3.713 3.960 0.001 0.000 0.304 81 G C -0.538 174.389 174.900 0.045 0.000 1.189 81 G CA 0.679 45.696 45.100 -0.138 0.000 0.986 81 G HN 0.483 nan 8.290 nan 0.000 0.548 82 Y N -2.249 118.075 120.300 0.040 0.000 2.571 82 Y HA 0.596 5.146 4.550 0.001 0.000 0.341 82 Y C 0.962 176.852 175.900 -0.016 0.000 1.076 82 Y CA -0.931 57.187 58.100 0.030 0.000 1.029 82 Y CB 1.306 39.767 38.460 0.002 0.000 1.308 82 Y HN 2.412 nan 8.280 nan 0.000 0.461 83 G N 0.196 109.143 108.800 0.245 0.000 2.184 83 G HA2 -0.324 3.636 3.960 0.001 0.000 0.264 83 G HA3 -0.324 3.636 3.960 0.001 0.000 0.264 83 G C -0.082 174.673 174.900 -0.243 0.000 0.975 83 G CA 0.948 46.040 45.100 -0.013 0.000 0.642 83 G HN 0.692 nan 8.290 nan 0.000 0.536 84 F N -0.926 119.065 119.950 0.068 0.000 2.480 84 F HA 0.480 5.007 4.527 0.001 0.000 0.258 84 F C 2.131 177.936 175.800 0.009 0.000 0.941 84 F CA 0.620 58.630 58.000 0.017 0.000 1.085 84 F CB -0.053 38.929 39.000 -0.030 0.000 1.222 84 F HN 0.024 nan 8.300 nan 0.000 0.724 85 L N 0.087 121.427 121.223 0.195 0.000 2.808 85 L HA 0.162 4.502 4.340 0.001 0.000 0.246 85 L C 1.738 178.808 176.870 0.334 0.000 1.153 85 L CA 0.157 55.061 54.840 0.107 0.000 0.956 85 L CB -0.268 41.543 42.059 -0.414 0.000 1.270 85 L HN 0.179 nan 8.230 nan 0.000 0.528 86 S N -0.053 115.836 115.700 0.315 0.000 2.402 86 S HA -0.208 4.262 4.470 0.001 0.000 0.233 86 S C 1.341 176.156 174.600 0.359 0.000 1.030 86 S CA 1.265 59.684 58.200 0.365 0.000 1.003 86 S CB -0.166 63.194 63.200 0.266 0.000 0.813 86 S HN 0.511 nan 8.310 nan 0.000 0.477 87 E N 1.048 121.404 120.200 0.260 0.000 2.558 87 E HA 0.209 4.559 4.350 0.001 0.000 0.205 87 E C -0.259 176.449 176.600 0.179 0.000 1.006 87 E CA -0.322 56.203 56.400 0.208 0.000 0.961 87 E CB 0.252 30.043 29.700 0.151 0.000 1.044 87 E HN 0.356 nan 8.360 nan 0.000 0.465 88 N N 0.905 119.735 118.700 0.217 0.000 2.420 88 N HA 0.111 4.852 4.740 0.001 0.000 0.249 88 N C 0.506 176.091 175.510 0.126 0.000 1.033 88 N CA 0.063 53.217 53.050 0.174 0.000 0.944 88 N CB 1.429 40.026 38.487 0.183 0.000 1.113 88 N HN 0.064 nan 8.380 nan 0.000 0.502 89 A N 4.489 127.344 122.820 0.057 0.000 2.015 89 A HA -0.109 4.211 4.320 0.001 0.000 0.219 89 A C 1.747 179.299 177.584 -0.053 0.000 1.163 89 A CA 0.860 52.880 52.037 -0.028 0.000 0.646 89 A CB -0.181 18.814 19.000 -0.009 0.000 0.806 89 A HN 0.801 nan 8.150 nan 0.000 0.448 90 N N -1.152 117.561 118.700 0.021 0.000 2.331 90 N HA -0.103 4.638 4.740 0.001 0.000 0.180 90 N C 1.545 177.082 175.510 0.045 0.000 1.019 90 N CA 1.387 54.452 53.050 0.024 0.000 0.881 90 N CB -0.310 38.209 38.487 0.052 0.000 0.972 90 N HN 0.691 nan 8.380 nan 0.000 0.435 91 F N 1.917 121.808 119.950 -0.098 0.000 2.187 91 F HA 0.029 4.557 4.527 0.001 0.000 0.295 91 F C 2.392 178.039 175.800 -0.254 0.000 1.091 91 F CA 0.823 58.762 58.000 -0.102 0.000 1.308 91 F CB 0.046 39.023 39.000 -0.037 0.000 1.030 91 F HN -0.056 nan 8.300 nan 0.000 0.487 92 A N 0.311 122.722 122.820 -0.681 0.000 1.877 92 A HA -0.208 4.113 4.320 0.001 0.000 0.216 92 A C 2.106 179.301 177.584 -0.648 0.000 1.186 92 A CA 1.810 53.080 52.037 -1.279 0.000 0.620 92 A CB -1.044 17.167 19.000 -1.316 0.000 0.822 92 A HN 0.546 nan 8.150 nan 0.000 0.443 93 E N -0.826 119.158 120.200 -0.359 0.000 2.033 93 E HA -0.313 4.037 4.350 0.001 0.000 0.199 93 E C 2.283 178.788 176.600 -0.159 0.000 1.011 93 E CA 1.850 58.131 56.400 -0.198 0.000 0.815 93 E CB -0.143 29.492 29.700 -0.110 0.000 0.755 93 E HN 0.727 nan 8.360 nan 0.000 0.451 94 Q N -0.331 119.387 119.800 -0.136 0.000 2.170 94 Q HA -0.137 4.203 4.340 0.001 0.000 0.203 94 Q C 2.097 178.059 176.000 -0.063 0.000 0.976 94 Q CA 1.199 56.962 55.803 -0.065 0.000 0.858 94 Q CB 0.207 28.949 28.738 0.007 0.000 0.907 94 Q HN 0.152 nan 8.270 nan 0.000 0.433 95 V N 1.078 120.875 119.914 -0.196 0.000 2.407 95 V HA -0.246 3.875 4.120 0.001 0.000 0.248 95 V C 1.895 178.010 176.094 0.036 0.000 1.055 95 V CA 1.932 64.188 62.300 -0.073 0.000 1.049 95 V CB -0.469 31.203 31.823 -0.252 0.000 0.662 95 V HN 0.414 nan 8.190 nan 0.000 0.455 96 E N 0.042 120.198 120.200 -0.073 0.000 2.072 96 E HA -0.199 4.152 4.350 0.001 0.000 0.191 96 E C 2.371 178.943 176.600 -0.046 0.000 0.985 96 E CA 0.689 57.062 56.400 -0.044 0.000 0.801 96 E CB -0.268 29.387 29.700 -0.074 0.000 0.750 96 E HN 0.380 nan 8.360 nan 0.000 0.452 97 R N 1.141 121.614 120.500 -0.045 0.000 2.189 97 R HA -0.019 4.322 4.340 0.001 0.000 0.223 97 R C 1.580 177.859 176.300 -0.035 0.000 1.092 97 R CA 0.843 56.919 56.100 -0.039 0.000 0.989 97 R CB 0.058 30.339 30.300 -0.031 0.000 0.876 97 R HN 0.009 nan 8.270 nan 0.000 0.457 98 S N -0.936 114.762 115.700 -0.003 0.000 2.558 98 S HA 0.148 4.619 4.470 0.001 0.000 0.217 98 S C 0.830 175.265 174.600 -0.275 0.000 0.975 98 S CA 0.595 58.789 58.200 -0.009 0.000 0.912 98 S CB 0.827 64.162 63.200 0.225 0.000 0.776 98 S HN 0.608 nan 8.310 nan 0.000 0.526 99 G N 1.184 109.828 108.800 -0.260 0.000 2.203 99 G HA2 -0.208 3.752 3.960 0.001 0.000 0.231 99 G HA3 -0.208 3.752 3.960 0.001 0.000 0.231 99 G C -0.288 174.211 174.900 -0.670 0.000 1.058 99 G CA -0.488 44.374 45.100 -0.396 0.000 0.781 99 G HN 0.353 nan 8.290 nan 0.000 0.496 100 F N -0.537 119.399 119.950 -0.023 0.000 2.575 100 F HA 0.724 5.251 4.527 0.001 0.000 0.330 100 F C 0.921 176.716 175.800 -0.009 0.000 1.056 100 F CA -1.498 56.494 58.000 -0.014 0.000 0.964 100 F CB 1.120 40.116 39.000 -0.008 0.000 1.258 100 F HN -0.030 nan 8.300 nan 0.000 0.484 101 I N 1.691 122.398 120.570 0.228 0.000 2.472 101 I HA 0.161 4.332 4.170 0.001 0.000 0.290 101 I C -0.849 175.353 176.117 0.143 0.000 1.016 101 I CA -0.377 60.997 61.300 0.123 0.000 1.348 101 I CB 1.183 39.219 38.000 0.059 0.000 1.417 101 I HN 0.463 nan 8.210 nan 0.000 0.521 102 F N 6.596 126.507 119.950 -0.066 0.000 2.375 102 F HA 0.465 4.993 4.527 0.001 0.000 0.361 102 F C 0.124 175.845 175.800 -0.131 0.000 1.117 102 F CA -0.738 57.191 58.000 -0.119 0.000 1.037 102 F CB 0.745 39.646 39.000 -0.165 0.000 1.192 102 F HN 0.261 nan 8.300 nan 0.000 0.452 103 I N 7.034 127.181 120.570 -0.705 0.000 2.668 103 I HA 0.337 4.508 4.170 0.001 0.000 0.309 103 I C 0.708 176.270 176.117 -0.925 0.000 1.195 103 I CA 0.683 61.552 61.300 -0.720 0.000 1.919 103 I CB -1.121 36.451 38.000 -0.713 0.000 1.551 103 I HN 0.749 nan 8.210 nan 0.000 0.908 104 G N 5.435 113.832 108.800 -0.672 0.000 2.320 104 G HA2 0.383 4.343 3.960 0.001 0.000 0.296 104 G HA3 0.383 4.343 3.960 0.001 0.000 0.296 104 G C -3.276 171.549 174.900 -0.124 0.000 1.306 104 G CA -0.820 44.046 45.100 -0.391 0.000 0.836 104 G HN 0.078 nan 8.290 nan 0.000 0.517 105 P HA 0.341 nan 4.420 nan 0.000 0.286 105 P C -0.438 176.873 177.300 0.019 0.000 1.293 105 P CA -0.336 62.635 63.100 -0.215 0.000 0.770 105 P CB 0.412 31.830 31.700 -0.469 0.000 1.206 106 K N -0.552 119.821 120.400 -0.044 0.000 2.126 106 K HA 0.440 4.760 4.320 0.001 0.000 0.257 106 K C 1.451 178.030 176.600 -0.036 0.000 1.007 106 K CA -0.323 55.951 56.287 -0.021 0.000 0.928 106 K CB 0.034 32.513 32.500 -0.035 0.000 1.013 106 K HN 0.294 nan 8.250 nan 0.000 0.473 107 A N 2.458 125.223 122.820 -0.092 0.000 1.917 107 A HA -0.278 4.043 4.320 0.001 0.000 0.219 107 A C 1.809 179.370 177.584 -0.039 0.000 1.182 107 A CA 1.914 53.889 52.037 -0.102 0.000 0.633 107 A CB -0.701 18.212 19.000 -0.145 0.000 0.819 107 A HN 0.922 nan 8.150 nan 0.000 0.448 108 E N -0.806 119.377 120.200 -0.029 0.000 2.097 108 E HA -0.193 4.157 4.350 0.001 0.000 0.196 108 E C 1.863 178.470 176.600 0.011 0.000 1.000 108 E CA 1.655 58.050 56.400 -0.008 0.000 0.804 108 E CB -0.793 28.901 29.700 -0.009 0.000 0.740 108 E HN 0.563 nan 8.360 nan 0.000 0.454 109 T N 1.467 116.032 114.554 0.017 0.000 2.867 109 T HA -0.025 4.326 4.350 0.001 0.000 0.268 109 T C 1.986 176.731 174.700 0.074 0.000 1.057 109 T CA 0.640 62.771 62.100 0.052 0.000 1.136 109 T CB -0.094 68.799 68.868 0.042 0.000 0.874 109 T HN 0.128 nan 8.240 nan 0.000 0.466 110 I N 1.341 121.945 120.570 0.057 0.000 2.233 110 I HA -0.156 4.015 4.170 0.001 0.000 0.243 110 I C 2.666 178.820 176.117 0.062 0.000 1.093 110 I CA 1.197 62.542 61.300 0.075 0.000 1.380 110 I CB -0.280 37.762 38.000 0.070 0.000 1.067 110 I HN 0.215 nan 8.210 nan 0.000 0.413 111 R N 0.652 121.176 120.500 0.040 0.000 2.120 111 R HA -0.160 4.181 4.340 0.001 0.000 0.234 111 R C 2.240 178.562 176.300 0.036 0.000 1.123 111 R CA 1.091 57.213 56.100 0.037 0.000 0.975 111 R CB -0.778 29.536 30.300 0.024 0.000 0.866 111 R HN 0.264 nan 8.270 nan 0.000 0.446 112 L N 0.720 121.964 121.223 0.036 0.000 2.046 112 L HA -0.040 4.300 4.340 0.001 0.000 0.208 112 L C 1.959 178.851 176.870 0.037 0.000 1.077 112 L CA 1.749 56.608 54.840 0.031 0.000 0.747 112 L CB -0.161 41.917 42.059 0.032 0.000 0.896 112 L HN 0.108 nan 8.230 nan 0.000 0.432 113 M N -0.929 118.703 119.600 0.054 0.000 2.541 113 M HA 0.162 4.642 4.480 0.001 0.000 0.252 113 M C 2.044 178.380 176.300 0.060 0.000 1.125 113 M CA 0.906 56.242 55.300 0.060 0.000 1.091 113 M CB -1.505 31.135 32.600 0.066 0.000 1.420 113 M HN 0.399 nan 8.290 nan 0.000 0.486 114 G N -0.244 108.591 108.800 0.058 0.000 2.511 114 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 114 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 114 G C 0.461 175.391 174.900 0.050 0.000 1.133 114 G CA 0.126 45.263 45.100 0.062 0.000 0.792 114 G HN 0.404 nan 8.290 nan 0.000 0.539 115 D N 0.015 120.435 120.400 0.033 0.000 2.373 115 D HA 0.226 4.866 4.640 0.001 0.000 0.227 115 D C 0.995 177.287 176.300 -0.013 0.000 1.091 115 D CA -0.381 53.626 54.000 0.012 0.000 0.840 115 D CB 1.060 41.862 40.800 0.004 0.000 1.060 115 D HN 0.005 nan 8.370 nan 0.000 0.502 116 K N 1.719 122.108 120.400 -0.018 0.000 2.052 116 K HA -0.173 4.147 4.320 0.001 0.000 0.215 116 K C 1.978 178.434 176.600 -0.240 0.000 1.053 116 K CA 1.485 57.726 56.287 -0.077 0.000 0.934 116 K CB 0.042 32.544 32.500 0.003 0.000 0.717 116 K HN 0.320 nan 8.250 nan 0.000 0.450 117 V N 1.518 121.237 119.914 -0.324 0.000 2.282 117 V HA -0.323 3.798 4.120 0.001 0.000 0.249 117 V C 2.308 178.294 176.094 -0.180 0.000 1.057 117 V CA 2.360 64.449 62.300 -0.351 0.000 1.032 117 V CB -0.753 30.937 31.823 -0.221 0.000 0.645 117 V HN 0.367 nan 8.190 nan 0.000 0.447 118 S N 1.064 116.705 115.700 -0.099 0.000 2.348 118 S HA -0.163 4.307 4.470 0.001 0.000 0.221 118 S C 2.257 176.829 174.600 -0.047 0.000 1.033 118 S CA 1.273 59.440 58.200 -0.055 0.000 1.010 118 S CB -0.864 62.320 63.200 -0.027 0.000 0.891 118 S HN 0.658 nan 8.310 nan 0.000 0.442 119 A N 2.243 125.049 122.820 -0.024 0.000 1.881 119 A HA -0.181 4.140 4.320 0.001 0.000 0.219 119 A C 2.199 179.758 177.584 -0.041 0.000 1.215 119 A CA 1.970 54.017 52.037 0.016 0.000 0.648 119 A CB -1.134 17.947 19.000 0.136 0.000 0.832 119 A HN 0.488 nan 8.150 nan 0.000 0.455 120 I N -0.456 120.107 120.570 -0.011 0.000 2.127 120 I HA -0.336 3.834 4.170 0.001 0.000 0.241 120 I C 3.009 179.077 176.117 -0.082 0.000 1.075 120 I CA 1.298 62.579 61.300 -0.032 0.000 1.334 120 I CB -0.379 37.593 38.000 -0.046 0.000 1.040 120 I HN 0.399 nan 8.210 nan 0.000 0.405 121 A N 0.551 123.326 122.820 -0.075 0.000 1.908 121 A HA -0.227 4.093 4.320 0.001 0.000 0.218 121 A C 2.520 180.064 177.584 -0.066 0.000 1.181 121 A CA 2.055 54.056 52.037 -0.059 0.000 0.627 121 A CB -0.955 18.015 19.000 -0.050 0.000 0.818 121 A HN 0.468 nan 8.150 nan 0.000 0.445 122 A N -0.877 121.897 122.820 -0.076 0.000 1.902 122 A HA -0.119 4.201 4.320 0.001 0.000 0.217 122 A C 2.161 179.681 177.584 -0.105 0.000 1.181 122 A CA 1.968 53.961 52.037 -0.074 0.000 0.623 122 A CB -0.433 18.530 19.000 -0.062 0.000 0.818 122 A HN 0.466 nan 8.150 nan 0.000 0.443 123 M N -0.847 118.642 119.600 -0.185 0.000 2.388 123 M HA 0.015 4.495 4.480 0.001 0.000 0.265 123 M C 1.873 178.083 176.300 -0.150 0.000 1.088 123 M CA 0.962 56.120 55.300 -0.237 0.000 1.134 123 M CB -0.920 31.348 32.600 -0.552 0.000 1.384 123 M HN 0.357 nan 8.290 nan 0.000 0.447 124 K N 0.876 121.212 120.400 -0.106 0.000 2.103 124 K HA -0.176 4.145 4.320 0.001 0.000 0.207 124 K C 2.039 178.615 176.600 -0.040 0.000 1.048 124 K CA 1.323 57.582 56.287 -0.047 0.000 0.930 124 K CB -0.048 32.438 32.500 -0.023 0.000 0.716 124 K HN 0.251 nan 8.250 nan 0.000 0.444 125 K N -0.061 120.310 120.400 -0.048 0.000 2.097 125 K HA -0.075 4.245 4.320 0.001 0.000 0.205 125 K C 1.754 178.327 176.600 -0.045 0.000 1.050 125 K CA 1.122 57.387 56.287 -0.038 0.000 0.938 125 K CB 0.002 32.480 32.500 -0.036 0.000 0.718 125 K HN 0.106 nan 8.250 nan 0.000 0.442 126 A N -0.407 122.375 122.820 -0.064 0.000 2.167 126 A HA 0.141 4.461 4.320 0.001 0.000 0.214 126 A C 1.399 178.931 177.584 -0.087 0.000 1.151 126 A CA 1.102 53.096 52.037 -0.072 0.000 0.735 126 A CB -0.250 18.701 19.000 -0.081 0.000 0.802 126 A HN 0.496 nan 8.150 nan 0.000 0.467 127 G N -1.955 106.799 108.800 -0.076 0.000 2.176 127 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 127 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 127 G C 0.219 175.059 174.900 -0.099 0.000 0.986 127 G CA 0.048 45.103 45.100 -0.076 0.000 0.643 127 G HN 0.734 nan 8.290 nan 0.000 0.522 128 V N 3.167 123.016 119.914 -0.109 0.000 2.572 128 V HA 0.369 4.489 4.120 0.001 0.000 0.291 128 V C -1.367 174.744 176.094 0.029 0.000 1.039 128 V CA -0.841 61.407 62.300 -0.086 0.000 1.055 128 V CB 1.154 32.902 31.823 -0.125 0.000 0.969 128 V HN 0.212 nan 8.190 nan 0.000 0.482 129 P HA 0.237 nan 4.420 nan 0.000 0.276 129 P C -0.621 176.908 177.300 0.382 0.000 1.264 129 P CA -0.110 63.131 63.100 0.236 0.000 0.769 129 P CB 0.300 32.142 31.700 0.237 0.000 0.840 130 C N 2.719 122.218 119.300 0.330 0.000 2.531 130 C HA 0.517 4.978 4.460 0.001 0.000 0.369 130 C C 0.739 175.969 174.990 0.400 0.000 1.258 130 C CA -0.784 58.466 59.018 0.387 0.000 1.876 130 C CB 1.500 29.405 27.740 0.274 0.000 2.256 130 C HN 0.302 nan 8.230 nan 0.000 0.510 131 V N 2.976 123.081 119.914 0.319 0.000 2.686 131 V HA 0.240 4.360 4.120 0.001 0.000 0.295 131 V C -1.986 174.177 176.094 0.115 0.000 1.055 131 V CA -0.575 61.812 62.300 0.145 0.000 1.050 131 V CB 0.733 32.611 31.823 0.092 0.000 0.984 131 V HN 0.754 nan 8.190 nan 0.000 0.482 132 P HA 0.504 nan 4.420 nan 0.000 0.281 132 P C 0.000 177.327 177.300 0.045 0.000 1.252 132 P CA 0.276 63.404 63.100 0.045 0.000 0.778 132 P CB 1.240 32.948 31.700 0.014 0.000 0.895 133 G N 0.426 109.266 108.800 0.066 0.000 2.561 133 G HA2 0.300 4.261 3.960 0.001 0.000 0.310 133 G HA3 0.300 4.261 3.960 0.001 0.000 0.310 133 G C 0.638 175.582 174.900 0.073 0.000 1.292 133 G CA -0.120 45.028 45.100 0.080 0.000 0.811 133 G HN 0.285 nan 8.290 nan 0.000 0.482 134 S N -0.327 115.427 115.700 0.091 0.000 2.465 134 S HA -0.016 4.455 4.470 0.001 0.000 0.241 134 S C 0.675 175.310 174.600 0.059 0.000 1.000 134 S CA 1.492 59.733 58.200 0.069 0.000 0.964 134 S CB -0.255 62.992 63.200 0.078 0.000 0.763 134 S HN 0.701 nan 8.310 nan 0.000 0.512 135 D N 1.393 121.831 120.400 0.064 0.000 2.708 135 D HA -0.066 4.574 4.640 0.001 0.000 0.236 135 D C 0.389 176.697 176.300 0.013 0.000 1.146 135 D CA 1.480 55.496 54.000 0.027 0.000 0.662 135 D CB -1.607 39.206 40.800 0.022 0.000 1.059 135 D HN 0.873 nan 8.370 nan 0.000 0.428 136 G N -1.250 107.568 108.800 0.029 0.000 2.313 136 G HA2 0.413 4.374 3.960 0.001 0.000 0.296 136 G HA3 0.413 4.374 3.960 0.001 0.000 0.296 136 G C -3.321 171.623 174.900 0.074 0.000 1.356 136 G CA -0.910 44.204 45.100 0.024 0.000 0.833 136 G HN -0.054 nan 8.290 nan 0.000 0.552 137 P HA 0.451 nan 4.420 nan 0.000 0.281 137 P C -0.133 177.206 177.300 0.064 0.000 1.252 137 P CA -0.528 62.621 63.100 0.083 0.000 0.778 137 P CB 1.041 32.772 31.700 0.052 0.000 0.895 138 L N 2.942 124.206 121.223 0.069 0.000 2.514 138 L HA 0.205 4.546 4.340 0.001 0.000 0.280 138 L C 1.592 178.479 176.870 0.028 0.000 1.223 138 L CA 0.877 55.742 54.840 0.040 0.000 0.864 138 L CB -0.847 41.226 42.059 0.024 0.000 1.118 138 L HN 0.551 nan 8.230 nan 0.000 0.494 139 G N 1.788 110.601 108.800 0.021 0.000 2.509 139 G HA2 0.321 4.282 3.960 0.001 0.000 0.269 139 G HA3 0.321 4.282 3.960 0.001 0.000 0.269 139 G C 0.086 174.994 174.900 0.014 0.000 1.416 139 G CA 0.150 45.260 45.100 0.017 0.000 1.052 139 G HN 0.746 nan 8.290 nan 0.000 0.542 140 D N -1.509 118.898 120.400 0.012 0.000 2.417 140 D HA 0.130 4.770 4.640 0.001 0.000 0.207 140 D C -0.183 176.123 176.300 0.010 0.000 1.075 140 D CA -0.068 53.938 54.000 0.010 0.000 0.851 140 D CB 0.632 41.438 40.800 0.010 0.000 0.976 140 D HN 0.084 nan 8.370 nan 0.000 0.505 141 D N 1.054 121.460 120.400 0.010 0.000 2.485 141 D HA 0.099 4.739 4.640 0.001 0.000 0.221 141 D C 1.245 177.551 176.300 0.011 0.000 1.112 141 D CA -0.270 53.736 54.000 0.010 0.000 0.911 141 D CB 0.804 41.609 40.800 0.009 0.000 1.019 141 D HN -0.219 nan 8.370 nan 0.000 0.516 142 M N 1.130 120.738 119.600 0.012 0.000 2.192 142 M HA -0.275 4.206 4.480 0.001 0.000 0.245 142 M C 1.266 177.576 176.300 0.017 0.000 1.093 142 M CA 1.586 56.895 55.300 0.016 0.000 1.058 142 M CB -0.602 32.008 32.600 0.016 0.000 1.346 142 M HN 0.370 nan 8.290 nan 0.000 0.394 143 D N 0.144 120.552 120.400 0.014 0.000 2.103 143 D HA -0.181 4.460 4.640 0.001 0.000 0.190 143 D C 1.924 178.231 176.300 0.012 0.000 0.997 143 D CA 1.823 55.832 54.000 0.014 0.000 0.833 143 D CB -0.180 40.627 40.800 0.011 0.000 0.961 143 D HN 0.441 nan 8.370 nan 0.000 0.447 144 K N 0.656 121.062 120.400 0.009 0.000 2.057 144 K HA -0.072 4.248 4.320 0.001 0.000 0.207 144 K C 1.803 178.406 176.600 0.004 0.000 1.049 144 K CA 0.870 57.161 56.287 0.006 0.000 0.931 144 K CB -0.095 32.409 32.500 0.007 0.000 0.714 144 K HN 0.026 nan 8.250 nan 0.000 0.440 145 N N 1.010 119.714 118.700 0.008 0.000 2.166 145 N HA -0.131 4.609 4.740 0.001 0.000 0.186 145 N C 1.615 177.127 175.510 0.003 0.000 1.019 145 N CA 1.027 54.080 53.050 0.006 0.000 0.856 145 N CB -0.160 38.334 38.487 0.013 0.000 0.993 145 N HN 0.160 nan 8.380 nan 0.000 0.426 146 R N 0.367 120.877 120.500 0.018 0.000 2.152 146 R HA 0.016 4.356 4.340 0.001 0.000 0.232 146 R C 1.752 178.052 176.300 0.001 0.000 1.117 146 R CA 1.151 57.270 56.100 0.032 0.000 0.981 146 R CB -0.049 30.276 30.300 0.041 0.000 0.870 146 R HN 0.217 nan 8.270 nan 0.000 0.451 147 A N 0.026 122.841 122.820 -0.008 0.000 2.021 147 A HA -0.008 4.312 4.320 0.001 0.000 0.216 147 A C 1.887 179.445 177.584 -0.043 0.000 1.163 147 A CA 0.505 52.530 52.037 -0.020 0.000 0.676 147 A CB -0.061 18.935 19.000 -0.007 0.000 0.818 147 A HN 0.160 nan 8.150 nan 0.000 0.453 148 I N 0.084 120.627 120.570 -0.045 0.000 2.113 148 I HA -0.255 3.915 4.170 0.001 0.000 0.238 148 I C 2.977 179.027 176.117 -0.112 0.000 1.070 148 I CA 1.248 62.516 61.300 -0.054 0.000 1.332 148 I CB -0.432 37.550 38.000 -0.030 0.000 1.044 148 I HN 0.317 nan 8.210 nan 0.000 0.402 149 A N 0.462 123.181 122.820 -0.169 0.000 1.870 149 A HA -0.368 3.952 4.320 0.001 0.000 0.219 149 A C 2.350 179.685 177.584 -0.415 0.000 1.224 149 A CA 2.503 54.315 52.037 -0.374 0.000 0.650 149 A CB -0.916 17.780 19.000 -0.508 0.000 0.836 149 A HN 0.356 nan 8.150 nan 0.000 0.454 150 K N -1.193 119.035 120.400 -0.286 0.000 2.127 150 K HA -0.235 4.085 4.320 0.001 0.000 0.208 150 K C 2.450 178.977 176.600 -0.121 0.000 1.047 150 K CA 1.826 58.013 56.287 -0.167 0.000 0.927 150 K CB -0.184 32.284 32.500 -0.054 0.000 0.716 150 K HN 0.535 nan 8.250 nan 0.000 0.450 151 R N 0.860 121.298 120.500 -0.104 0.000 2.057 151 R HA -0.071 4.270 4.340 0.001 0.000 0.229 151 R C 2.172 178.429 176.300 -0.071 0.000 1.136 151 R CA 1.370 57.430 56.100 -0.066 0.000 0.952 151 R CB -0.201 30.070 30.300 -0.048 0.000 0.848 151 R HN 0.169 nan 8.270 nan 0.000 0.430 152 I N 0.631 121.144 120.570 -0.095 0.000 2.493 152 I HA -0.019 4.152 4.170 0.001 0.000 0.254 152 I C 0.928 176.985 176.117 -0.101 0.000 1.160 152 I CA 0.875 62.125 61.300 -0.083 0.000 1.445 152 I CB -0.634 37.310 38.000 -0.095 0.000 1.086 152 I HN 0.518 nan 8.210 nan 0.000 0.433 153 G N 0.511 109.212 108.800 -0.166 0.000 2.850 153 G HA2 -0.247 3.713 3.960 0.001 0.000 0.686 153 G HA3 -0.247 3.713 3.960 0.001 0.000 0.686 153 G C -0.617 174.197 174.900 -0.143 0.000 1.164 153 G CA -0.843 44.167 45.100 -0.151 0.000 0.826 153 G HN 0.122 nan 8.290 nan 0.000 0.586 154 Y N 2.098 122.406 120.300 0.013 0.000 2.357 154 Y HA 0.443 4.993 4.550 0.001 0.000 0.340 154 Y C -0.697 175.222 175.900 0.031 0.000 1.260 154 Y CA -0.727 57.387 58.100 0.023 0.000 1.425 154 Y CB 0.174 38.645 38.460 0.017 0.000 1.326 154 Y HN 0.558 nan 8.280 nan 0.000 0.580 155 P HA 0.354 nan 4.420 nan 0.000 0.277 155 P C -0.867 176.586 177.300 0.256 0.000 1.271 155 P CA -0.356 62.936 63.100 0.320 0.000 0.795 155 P CB 0.973 32.855 31.700 0.304 0.000 1.101 156 V N -3.199 116.863 119.914 0.247 0.000 3.084 156 V HA 0.686 4.806 4.120 0.001 0.000 0.311 156 V C -0.710 175.427 176.094 0.072 0.000 1.311 156 V CA -0.932 61.449 62.300 0.135 0.000 1.062 156 V CB 1.933 33.781 31.823 0.042 0.000 1.113 156 V HN 0.457 nan 8.190 nan 0.000 0.468 157 I N 0.840 121.413 120.570 0.004 0.000 2.680 157 I HA 0.415 4.586 4.170 0.001 0.000 0.291 157 I C -1.893 174.143 176.117 -0.135 0.000 1.244 157 I CA -0.539 60.709 61.300 -0.086 0.000 1.042 157 I CB 2.169 40.129 38.000 -0.067 0.000 1.277 157 I HN 0.515 nan 8.210 nan 0.000 0.423 158 I N 6.854 127.329 120.570 -0.157 0.000 2.306 158 I HA 0.365 4.536 4.170 0.001 0.000 0.288 158 I C 0.004 175.960 176.117 -0.269 0.000 1.036 158 I CA -0.408 60.774 61.300 -0.197 0.000 1.221 158 I CB 0.775 38.700 38.000 -0.126 0.000 1.385 158 I HN 0.417 nan 8.210 nan 0.000 0.472 159 K N 3.859 123.977 120.400 -0.470 0.000 2.207 159 K HA 0.788 5.109 4.320 0.001 0.000 0.255 159 K C -0.250 176.046 176.600 -0.507 0.000 0.941 159 K CA -0.512 55.459 56.287 -0.527 0.000 0.825 159 K CB 2.512 34.514 32.500 -0.831 0.000 1.119 159 K HN 0.693 nan 8.250 nan 0.000 0.430 160 A N 0.964 123.617 122.820 -0.279 0.000 2.271 160 A HA 0.267 4.587 4.320 0.001 0.000 0.288 160 A C 0.438 177.992 177.584 -0.050 0.000 1.094 160 A CA -0.371 51.544 52.037 -0.204 0.000 0.828 160 A CB 0.646 19.404 19.000 -0.404 0.000 1.091 160 A HN 0.774 nan 8.150 nan 0.000 0.493 161 S N 0.380 116.081 115.700 0.001 0.000 2.528 161 S HA 0.060 4.531 4.470 0.001 0.000 0.219 161 S C 1.611 176.170 174.600 -0.068 0.000 0.985 161 S CA 0.555 58.785 58.200 0.049 0.000 0.914 161 S CB 0.119 63.348 63.200 0.048 0.000 0.776 161 S HN 1.052 nan 8.310 nan 0.000 0.526 162 G N 1.104 109.745 108.800 -0.264 0.000 2.776 162 G HA2 0.381 4.341 3.960 0.001 0.000 0.209 162 G HA3 0.381 4.341 3.960 0.001 0.000 0.209 162 G C 1.088 175.980 174.900 -0.014 0.000 1.145 162 G CA 0.369 45.343 45.100 -0.210 0.000 0.791 162 G HN 0.728 nan 8.290 nan 0.000 0.530 163 G N -0.180 108.575 108.800 -0.075 0.000 3.377 163 G HA2 0.081 4.041 3.960 0.001 0.000 0.304 163 G HA3 0.081 4.041 3.960 0.001 0.000 0.304 163 G C 1.632 176.788 174.900 0.427 0.000 1.366 163 G CA 1.678 46.867 45.100 0.148 0.000 1.020 163 G HN 1.944 nan 8.290 nan 0.000 0.621 164 G N -0.660 108.521 108.800 0.635 0.000 4.655 164 G HA2 0.380 4.341 3.960 0.001 0.000 0.220 164 G HA3 0.380 4.341 3.960 0.001 0.000 0.220 164 G C 1.537 176.575 174.900 0.230 0.000 1.403 164 G CA 1.826 47.218 45.100 0.487 0.000 0.931 164 G HN 3.146 nan 8.290 nan 0.000 0.654 165 G N -1.421 107.518 108.800 0.231 0.000 2.604 165 G HA2 0.547 4.507 3.960 0.001 0.000 0.225 165 G HA3 0.547 4.507 3.960 0.001 0.000 0.225 165 G C 1.371 176.326 174.900 0.091 0.000 1.059 165 G CA 0.730 45.960 45.100 0.217 0.000 1.203 165 G HN 2.619 nan 8.290 nan 0.000 0.630 166 G N -0.368 108.353 108.800 -0.133 0.000 2.267 166 G HA2 -0.245 3.716 3.960 0.001 0.000 0.257 166 G HA3 -0.245 3.716 3.960 0.001 0.000 0.257 166 G C 0.559 175.433 174.900 -0.043 0.000 0.998 166 G CA 1.017 45.972 45.100 -0.241 0.000 0.620 166 G HN 1.177 nan 8.290 nan 0.000 0.529 167 R N -0.117 120.430 120.500 0.078 0.000 2.297 167 R HA 0.547 4.888 4.340 0.001 0.000 0.308 167 R C 1.092 177.568 176.300 0.292 0.000 1.029 167 R CA 0.502 56.690 56.100 0.146 0.000 0.929 167 R CB 1.454 31.813 30.300 0.098 0.000 1.046 167 R HN 1.371 nan 8.270 nan 0.000 0.461 168 G N 2.253 111.160 108.800 0.178 0.000 2.164 168 G HA2 -0.220 3.741 3.960 0.001 0.000 0.212 168 G HA3 -0.220 3.741 3.960 0.001 0.000 0.212 168 G C -0.259 174.613 174.900 -0.047 0.000 1.031 168 G CA -0.491 44.664 45.100 0.092 0.000 0.730 168 G HN 0.439 nan 8.290 nan 0.000 0.501 169 M N -0.909 118.661 119.600 -0.051 0.000 2.518 169 M HA 0.715 5.195 4.480 0.001 0.000 0.300 169 M C -0.058 176.178 176.300 -0.107 0.000 1.175 169 M CA -0.798 54.440 55.300 -0.103 0.000 0.890 169 M CB 2.807 35.341 32.600 -0.110 0.000 1.710 169 M HN 0.135 nan 8.290 nan 0.000 0.453 170 R N 1.060 121.478 120.500 -0.136 0.000 2.535 170 R HA 0.607 4.948 4.340 0.001 0.000 0.274 170 R C -1.897 174.301 176.300 -0.171 0.000 1.090 170 R CA -0.540 55.478 56.100 -0.136 0.000 0.930 170 R CB 2.357 32.600 30.300 -0.095 0.000 1.223 170 R HN 0.590 nan 8.270 nan 0.000 0.441 171 V N 4.620 124.405 119.914 -0.215 0.000 2.406 171 V HA 0.363 4.484 4.120 0.001 0.000 0.272 171 V C -0.020 175.999 176.094 -0.125 0.000 1.043 171 V CA -0.645 61.502 62.300 -0.256 0.000 0.915 171 V CB 1.290 32.836 31.823 -0.463 0.000 0.988 171 V HN 0.396 nan 8.190 nan 0.000 0.466 172 V N 5.973 125.863 119.914 -0.040 0.000 2.513 172 V HA 0.533 4.654 4.120 0.001 0.000 0.299 172 V C 0.638 176.766 176.094 0.057 0.000 1.035 172 V CA -0.726 61.580 62.300 0.010 0.000 0.889 172 V CB 1.607 33.486 31.823 0.093 0.000 0.988 172 V HN 0.911 nan 8.190 nan 0.000 0.440 173 R N 2.236 122.657 120.500 -0.132 0.000 2.509 173 R HA 0.508 4.848 4.340 0.001 0.000 0.297 173 R C 0.568 176.424 176.300 -0.741 0.000 0.951 173 R CA 0.202 56.180 56.100 -0.203 0.000 1.103 173 R CB 1.349 31.610 30.300 -0.066 0.000 1.283 173 R HN 0.789 nan 8.270 nan 0.000 0.534 174 G N -0.175 108.016 108.800 -1.015 0.000 2.692 174 G HA2 0.152 4.113 3.960 0.001 0.000 0.291 174 G HA3 0.152 4.113 3.960 0.001 0.000 0.291 174 G C -0.739 173.705 174.900 -0.760 0.000 1.423 174 G CA -0.522 43.960 45.100 -1.030 0.000 0.843 174 G HN -0.201 nan 8.290 nan 0.000 0.486 175 D N 0.222 120.405 120.400 -0.361 0.000 2.263 175 D HA -0.090 4.550 4.640 0.001 0.000 0.208 175 D C 2.554 178.828 176.300 -0.044 0.000 0.971 175 D CA 1.335 55.322 54.000 -0.023 0.000 0.867 175 D CB 0.101 40.948 40.800 0.079 0.000 0.929 175 D HN 0.436 nan 8.370 nan 0.000 0.492 176 A N 1.526 124.290 122.820 -0.094 0.000 1.858 176 A HA -0.223 4.098 4.320 0.001 0.000 0.216 176 A C 1.958 179.510 177.584 -0.053 0.000 1.190 176 A CA 1.649 53.649 52.037 -0.062 0.000 0.617 176 A CB -0.521 18.437 19.000 -0.069 0.000 0.827 176 A HN 0.335 nan 8.150 nan 0.000 0.443 177 E N -0.241 119.913 120.200 -0.077 0.000 2.481 177 E HA 0.064 4.414 4.350 0.001 0.000 0.195 177 E C 1.577 178.162 176.600 -0.024 0.000 1.047 177 E CA 0.342 56.710 56.400 -0.054 0.000 0.867 177 E CB -0.263 29.395 29.700 -0.070 0.000 0.858 177 E HN 0.399 nan 8.360 nan 0.000 0.513 178 L N 2.041 123.265 121.223 0.002 0.000 1.963 178 L HA -0.304 4.036 4.340 0.001 0.000 0.220 178 L C 2.434 179.317 176.870 0.022 0.000 1.076 178 L CA 2.422 57.291 54.840 0.048 0.000 0.772 178 L CB -0.969 41.158 42.059 0.114 0.000 0.892 178 L HN 0.199 nan 8.230 nan 0.000 0.435 179 A N -1.317 121.513 122.820 0.015 0.000 1.869 179 A HA -0.370 3.950 4.320 0.001 0.000 0.218 179 A C 2.113 179.696 177.584 -0.001 0.000 1.203 179 A CA 2.418 54.460 52.037 0.008 0.000 0.638 179 A CB -0.915 18.089 19.000 0.006 0.000 0.831 179 A HN 0.666 nan 8.150 nan 0.000 0.450 180 Q N 0.059 119.855 119.800 -0.007 0.000 2.045 180 Q HA -0.152 4.189 4.340 0.001 0.000 0.206 180 Q C 2.472 178.463 176.000 -0.015 0.000 0.991 180 Q CA 2.185 57.981 55.803 -0.012 0.000 0.851 180 Q CB -0.494 28.233 28.738 -0.018 0.000 0.911 180 Q HN 0.670 nan 8.270 nan 0.000 0.418 181 S N 0.585 116.274 115.700 -0.019 0.000 2.377 181 S HA -0.219 4.251 4.470 0.001 0.000 0.224 181 S C 1.957 176.542 174.600 -0.026 0.000 1.042 181 S CA 1.573 59.757 58.200 -0.026 0.000 1.086 181 S CB -0.571 62.613 63.200 -0.026 0.000 0.995 181 S HN 0.290 nan 8.310 nan 0.000 0.428 182 I N 1.213 121.772 120.570 -0.018 0.000 2.185 182 I HA -0.257 3.913 4.170 0.001 0.000 0.246 182 I C 2.758 178.865 176.117 -0.017 0.000 1.088 182 I CA 1.502 62.791 61.300 -0.020 0.000 1.347 182 I CB -0.440 37.556 38.000 -0.008 0.000 1.041 182 I HN 0.339 nan 8.210 nan 0.000 0.415 183 S N 0.496 116.190 115.700 -0.010 0.000 2.338 183 S HA -0.212 4.259 4.470 0.001 0.000 0.218 183 S C 2.092 176.688 174.600 -0.007 0.000 1.032 183 S CA 1.415 59.611 58.200 -0.006 0.000 0.999 183 S CB -0.184 63.014 63.200 -0.003 0.000 0.905 183 S HN 0.214 nan 8.310 nan 0.000 0.439 184 M N 1.205 120.799 119.600 -0.011 0.000 2.073 184 M HA -0.119 4.362 4.480 0.001 0.000 0.258 184 M C 2.332 178.628 176.300 -0.006 0.000 1.070 184 M CA 2.348 57.642 55.300 -0.009 0.000 1.103 184 M CB -0.937 31.653 32.600 -0.016 0.000 1.321 184 M HN 0.377 nan 8.290 nan 0.000 0.405 185 T N -0.606 113.937 114.554 -0.019 0.000 2.746 185 T HA -0.145 4.206 4.350 0.001 0.000 0.267 185 T C 1.918 176.609 174.700 -0.015 0.000 1.039 185 T CA 1.191 63.276 62.100 -0.026 0.000 1.142 185 T CB -0.335 68.499 68.868 -0.057 0.000 0.866 185 T HN 0.341 nan 8.240 nan 0.000 0.444 186 R N 0.714 121.206 120.500 -0.014 0.000 2.105 186 R HA -0.012 4.329 4.340 0.001 0.000 0.239 186 R C 2.735 179.045 176.300 0.016 0.000 1.135 186 R CA 1.365 57.463 56.100 -0.004 0.000 0.967 186 R CB -0.441 29.858 30.300 -0.002 0.000 0.861 186 R HN 0.424 nan 8.270 nan 0.000 0.442 187 A N 0.856 123.688 122.820 0.018 0.000 1.968 187 A HA -0.123 4.198 4.320 0.001 0.000 0.217 187 A C 1.743 179.356 177.584 0.048 0.000 1.169 187 A CA 0.997 53.051 52.037 0.029 0.000 0.638 187 A CB -0.142 18.870 19.000 0.019 0.000 0.812 187 A HN 0.322 nan 8.150 nan 0.000 0.446 188 E N -0.140 120.090 120.200 0.051 0.000 2.208 188 E HA -0.019 4.331 4.350 0.001 0.000 0.193 188 E C 2.127 178.826 176.600 0.166 0.000 0.988 188 E CA 0.713 57.164 56.400 0.085 0.000 0.828 188 E CB -0.169 29.573 29.700 0.070 0.000 0.763 188 E HN 0.631 nan 8.360 nan 0.000 0.478 189 A N 1.548 124.454 122.820 0.143 0.000 1.903 189 A HA -0.117 4.203 4.320 0.001 0.000 0.213 189 A C 2.024 179.739 177.584 0.218 0.000 1.185 189 A CA 0.974 53.133 52.037 0.205 0.000 0.628 189 A CB -0.184 18.809 19.000 -0.012 0.000 0.830 189 A HN -0.002 nan 8.150 nan 0.000 0.446 190 K N -0.174 120.296 120.400 0.118 0.000 2.044 190 K HA -0.179 4.141 4.320 0.001 0.000 0.210 190 K C 2.201 178.863 176.600 0.103 0.000 1.049 190 K CA 1.408 57.752 56.287 0.096 0.000 0.927 190 K CB -0.308 32.228 32.500 0.059 0.000 0.713 190 K HN 0.402 nan 8.250 nan 0.000 0.443 191 A N 0.771 123.645 122.820 0.091 0.000 1.858 191 A HA -0.108 4.213 4.320 0.001 0.000 0.216 191 A C 2.261 179.876 177.584 0.052 0.000 1.190 191 A CA 1.969 54.043 52.037 0.060 0.000 0.617 191 A CB -0.865 18.161 19.000 0.043 0.000 0.827 191 A HN 0.471 nan 8.150 nan 0.000 0.443 192 A N -0.710 122.159 122.820 0.082 0.000 1.821 192 A HA 0.162 4.483 4.320 0.001 0.000 0.215 192 A C 1.733 179.275 177.584 -0.070 0.000 1.214 192 A CA 1.617 53.615 52.037 -0.065 0.000 0.608 192 A CB -0.810 18.062 19.000 -0.213 0.000 0.862 192 A HN 0.533 nan 8.150 nan 0.000 0.448 193 F N -0.432 119.531 119.950 0.022 0.000 2.754 193 F HA 0.318 4.846 4.527 0.001 0.000 0.297 193 F C 1.073 176.889 175.800 0.027 0.000 1.122 193 F CA 0.075 58.092 58.000 0.027 0.000 1.400 193 F CB -0.760 38.259 39.000 0.032 0.000 1.117 193 F HN 0.092 nan 8.300 nan 0.000 0.587 194 S N 1.755 117.590 115.700 0.226 0.000 3.886 194 S HA -0.208 4.263 4.470 0.001 0.000 0.398 194 S C -0.445 174.223 174.600 0.114 0.000 0.931 194 S CA 0.553 58.832 58.200 0.131 0.000 1.217 194 S CB -1.623 61.633 63.200 0.094 0.000 0.874 194 S HN 0.619 nan 8.310 nan 0.000 0.521 195 N N 1.040 119.804 118.700 0.107 0.000 3.321 195 N HA 0.107 4.847 4.740 0.001 0.000 0.217 195 N C -0.080 175.443 175.510 0.022 0.000 1.405 195 N CA 0.057 53.139 53.050 0.055 0.000 0.799 195 N CB 0.614 39.126 38.487 0.042 0.000 1.619 195 N HN 0.231 nan 8.380 nan 0.000 0.648 196 D N 2.208 122.624 120.400 0.026 0.000 2.378 196 D HA -0.103 4.537 4.640 0.001 0.000 0.222 196 D C 0.826 177.125 176.300 -0.001 0.000 0.980 196 D CA -0.019 53.989 54.000 0.013 0.000 0.907 196 D CB 0.085 40.897 40.800 0.021 0.000 0.899 196 D HN 0.600 nan 8.370 nan 0.000 0.527 197 M N 1.789 121.391 119.600 0.002 0.000 2.251 197 M HA 0.095 4.575 4.480 0.001 0.000 0.343 197 M C -0.566 175.743 176.300 0.015 0.000 1.245 197 M CA 0.105 55.414 55.300 0.015 0.000 1.061 197 M CB 0.711 33.326 32.600 0.025 0.000 1.723 197 M HN -0.023 nan 8.290 nan 0.000 0.449 198 V N 3.568 123.505 119.914 0.039 0.000 3.087 198 V HA 0.774 4.895 4.120 0.001 0.000 0.306 198 V C -1.595 174.560 176.094 0.102 0.000 1.187 198 V CA -0.956 61.360 62.300 0.027 0.000 0.999 198 V CB 1.505 33.294 31.823 -0.056 0.000 1.049 198 V HN 0.955 nan 8.190 nan 0.000 0.431 199 Y N 1.975 122.256 120.300 -0.031 0.000 2.570 199 Y HA 0.887 5.438 4.550 0.001 0.000 0.345 199 Y C -0.579 175.313 175.900 -0.013 0.000 1.014 199 Y CA -1.741 56.350 58.100 -0.016 0.000 1.063 199 Y CB 2.219 40.675 38.460 -0.006 0.000 1.272 199 Y HN 1.002 nan 8.280 nan 0.000 0.477 200 M N 3.263 122.866 119.600 0.006 0.000 2.456 200 M HA 0.565 5.046 4.480 0.001 0.000 0.324 200 M C -1.440 174.883 176.300 0.039 0.000 1.124 200 M CA -0.202 55.066 55.300 -0.054 0.000 0.959 200 M CB 2.164 34.749 32.600 -0.025 0.000 1.692 200 M HN 1.029 nan 8.290 nan 0.000 0.444 201 E N 2.754 122.951 120.200 -0.005 0.000 2.445 201 E HA 0.394 4.744 4.350 0.001 0.000 0.279 201 E C -1.882 174.731 176.600 0.022 0.000 1.018 201 E CA -1.198 55.231 56.400 0.048 0.000 0.816 201 E CB 1.590 31.370 29.700 0.133 0.000 1.356 201 E HN 0.679 nan 8.360 nan 0.000 0.462 202 K N 0.819 121.223 120.400 0.007 0.000 2.237 202 K HA 0.114 4.435 4.320 0.001 0.000 0.270 202 K C -1.250 175.391 176.600 0.069 0.000 1.015 202 K CA -0.535 55.754 56.287 0.004 0.000 0.949 202 K CB 0.523 32.984 32.500 -0.066 0.000 0.976 202 K HN 0.509 nan 8.250 nan 0.000 0.472 203 Y N 4.444 124.723 120.300 -0.035 0.000 2.316 203 Y HA 0.299 4.849 4.550 0.001 0.000 0.331 203 Y C -1.265 174.627 175.900 -0.013 0.000 1.083 203 Y CA -0.850 57.243 58.100 -0.012 0.000 1.206 203 Y CB 0.589 39.057 38.460 0.013 0.000 1.195 203 Y HN 0.437 nan 8.280 nan 0.000 0.497 204 L N 6.362 127.248 121.223 -0.561 0.000 2.282 204 L HA 0.302 4.643 4.340 0.001 0.000 0.288 204 L C 0.975 177.425 176.870 -0.701 0.000 1.033 204 L CA -0.185 54.366 54.840 -0.482 0.000 0.807 204 L CB 1.407 43.339 42.059 -0.211 0.000 1.209 204 L HN 0.718 nan 8.230 nan 0.000 0.423 205 E N 2.074 122.015 120.200 -0.433 0.000 1.999 205 E HA -0.077 4.273 4.350 0.001 0.000 0.194 205 E C 0.003 176.596 176.600 -0.012 0.000 0.995 205 E CA 1.608 57.864 56.400 -0.240 0.000 0.825 205 E CB 0.157 29.791 29.700 -0.110 0.000 0.777 205 E HN 0.629 nan 8.360 nan 0.000 0.459 206 N N 0.830 119.531 118.700 0.002 0.000 2.886 206 N HA 0.249 4.990 4.740 0.001 0.000 0.285 206 N C -2.675 172.844 175.510 0.016 0.000 1.706 206 N CA -0.945 52.142 53.050 0.061 0.000 0.904 206 N CB 1.672 40.205 38.487 0.078 0.000 1.224 206 N HN 0.112 nan 8.380 nan 0.000 0.488 207 P HA 0.488 nan 4.420 nan 0.000 0.287 207 P C -0.677 176.667 177.300 0.073 0.000 1.292 207 P CA -0.675 62.447 63.100 0.037 0.000 0.879 207 P CB 2.069 33.800 31.700 0.053 0.000 1.214 208 R N -0.847 119.755 120.500 0.171 0.000 2.828 208 R HA 0.516 4.856 4.340 0.001 0.000 0.264 208 R C -0.246 176.210 176.300 0.259 0.000 1.022 208 R CA -0.722 55.502 56.100 0.206 0.000 1.021 208 R CB 0.815 31.259 30.300 0.241 0.000 1.163 208 R HN 0.609 nan 8.270 nan 0.000 0.494 209 H N 0.622 119.778 119.070 0.143 0.000 2.623 209 H HA 0.395 4.951 4.556 0.001 0.000 0.299 209 H C -1.282 174.146 175.328 0.166 0.000 1.052 209 H CA -0.568 55.575 56.048 0.159 0.000 1.231 209 H CB 0.690 30.518 29.762 0.109 0.000 1.389 209 H HN 0.145 nan 8.280 nan 0.000 0.469 210 V N 6.084 126.010 119.914 0.020 0.000 2.495 210 V HA 0.268 4.389 4.120 0.001 0.000 0.298 210 V C -0.254 175.920 176.094 0.134 0.000 1.031 210 V CA -0.791 61.580 62.300 0.117 0.000 0.871 210 V CB 1.399 33.281 31.823 0.099 0.000 0.988 210 V HN 0.903 nan 8.190 nan 0.000 0.432 211 E N 4.262 124.567 120.200 0.175 0.000 2.288 211 E HA 0.728 5.078 4.350 0.001 0.000 0.268 211 E C -1.797 174.945 176.600 0.236 0.000 0.885 211 E CA -0.951 55.584 56.400 0.224 0.000 0.767 211 E CB 2.448 32.268 29.700 0.200 0.000 1.220 211 E HN 0.420 nan 8.360 nan 0.000 0.427 212 I N 2.297 123.056 120.570 0.314 0.000 2.354 212 I HA 0.153 4.323 4.170 0.001 0.000 0.292 212 I C -0.316 175.956 176.117 0.257 0.000 0.989 212 I CA -0.528 60.912 61.300 0.233 0.000 1.188 212 I CB 1.693 39.783 38.000 0.151 0.000 1.342 212 I HN 0.553 nan 8.210 nan 0.000 0.457 213 Q N 6.290 126.205 119.800 0.191 0.000 2.274 213 Q HA 0.679 5.019 4.340 0.001 0.000 0.256 213 Q C -1.013 175.094 176.000 0.179 0.000 0.927 213 Q CA -0.427 55.481 55.803 0.175 0.000 0.939 213 Q CB 1.280 30.096 28.738 0.131 0.000 1.201 213 Q HN 0.549 nan 8.270 nan 0.000 0.426 214 V N 1.547 121.573 119.914 0.187 0.000 3.141 214 V HA 0.770 4.890 4.120 0.001 0.000 0.312 214 V C -1.026 175.151 176.094 0.139 0.000 1.157 214 V CA -1.076 61.325 62.300 0.168 0.000 1.041 214 V CB 2.054 34.011 31.823 0.223 0.000 1.071 214 V HN 0.752 nan 8.190 nan 0.000 0.441 215 L N 1.408 122.708 121.223 0.129 0.000 2.455 215 L HA 0.938 5.278 4.340 0.001 0.000 0.264 215 L C -0.389 176.571 176.870 0.148 0.000 0.968 215 L CA -0.567 54.354 54.840 0.134 0.000 0.827 215 L CB 2.171 44.275 42.059 0.075 0.000 1.317 215 L HN 1.149 nan 8.230 nan 0.000 0.407 216 A N 0.848 123.785 122.820 0.195 0.000 2.486 216 A HA 0.599 4.919 4.320 0.001 0.000 0.300 216 A C -0.671 176.974 177.584 0.102 0.000 1.048 216 A CA -0.558 51.584 52.037 0.174 0.000 0.696 216 A CB 1.389 20.569 19.000 0.301 0.000 1.278 216 A HN 0.793 nan 8.150 nan 0.000 0.405 217 D N 0.512 120.948 120.400 0.060 0.000 2.367 217 D HA 0.298 4.938 4.640 0.001 0.000 0.207 217 D C 1.192 177.497 176.300 0.009 0.000 1.034 217 D CA 0.935 54.948 54.000 0.022 0.000 0.861 217 D CB 0.112 40.920 40.800 0.013 0.000 0.943 217 D HN 1.702 nan 8.370 nan 0.000 0.515 218 G N 0.455 109.271 108.800 0.027 0.000 2.162 218 G HA2 -0.367 3.594 3.960 0.001 0.000 0.260 218 G HA3 -0.367 3.594 3.960 0.001 0.000 0.260 218 G C 0.807 175.714 174.900 0.012 0.000 0.976 218 G CA 0.491 45.599 45.100 0.014 0.000 0.655 218 G HN 0.463 nan 8.290 nan 0.000 0.533 219 Q N -1.029 118.780 119.800 0.015 0.000 2.247 219 Q HA 0.433 4.774 4.340 0.001 0.000 0.211 219 Q C 1.863 177.871 176.000 0.014 0.000 0.861 219 Q CA 0.619 56.428 55.803 0.010 0.000 0.949 219 Q CB 0.949 29.691 28.738 0.005 0.000 1.115 219 Q HN 1.373 nan 8.270 nan 0.000 0.507 220 G N 0.871 109.685 108.800 0.023 0.000 2.255 220 G HA2 -0.158 3.803 3.960 0.001 0.000 0.196 220 G HA3 -0.158 3.803 3.960 0.001 0.000 0.196 220 G C -0.091 174.826 174.900 0.027 0.000 0.998 220 G CA -0.618 44.496 45.100 0.024 0.000 0.656 220 G HN 0.170 nan 8.290 nan 0.000 0.490 221 N N 1.090 119.807 118.700 0.029 0.000 2.487 221 N HA 0.750 5.490 4.740 0.001 0.000 0.292 221 N C -0.128 175.411 175.510 0.049 0.000 1.108 221 N CA 0.703 53.770 53.050 0.030 0.000 0.956 221 N CB 1.820 40.318 38.487 0.018 0.000 1.176 221 N HN 1.110 nan 8.380 nan 0.000 0.484 222 A N 1.434 124.281 122.820 0.045 0.000 2.512 222 A HA 0.534 4.855 4.320 0.001 0.000 0.294 222 A C -0.797 176.818 177.584 0.052 0.000 1.054 222 A CA -0.784 51.291 52.037 0.064 0.000 0.756 222 A CB 0.720 19.771 19.000 0.085 0.000 1.293 222 A HN 0.648 nan 8.150 nan 0.000 0.395 223 I N -0.203 120.393 120.570 0.044 0.000 2.785 223 I HA 0.891 5.061 4.170 0.001 0.000 0.302 223 I C -0.977 175.168 176.117 0.048 0.000 1.069 223 I CA -1.175 60.124 61.300 -0.002 0.000 1.045 223 I CB 2.167 40.106 38.000 -0.101 0.000 1.236 223 I HN 0.786 nan 8.210 nan 0.000 0.429 224 Y N 3.262 123.534 120.300 -0.047 0.000 2.360 224 Y HA 0.736 5.286 4.550 0.000 0.000 0.337 224 Y C -1.037 174.841 175.900 -0.037 0.000 1.039 224 Y CA -1.541 56.529 58.100 -0.049 0.000 1.109 224 Y CB 1.288 39.686 38.460 -0.103 0.000 1.201 224 Y HN 0.472 nan 8.280 nan 0.000 0.458 225 L N 4.937 126.193 121.223 0.056 0.000 3.048 225 L HA 0.695 5.036 4.340 0.001 0.000 0.234 225 L C 0.533 177.435 176.870 0.054 0.000 1.318 225 L CA 0.316 55.149 54.840 -0.011 0.000 1.109 225 L CB -0.699 41.356 42.059 -0.005 0.000 1.480 225 L HN 1.109 nan 8.230 nan 0.000 0.495 226 A N 0.087 122.987 122.820 0.133 0.000 6.495 226 A HA -0.007 4.314 4.320 0.001 0.000 0.228 226 A C 0.308 177.946 177.584 0.090 0.000 2.309 226 A CA 0.611 52.719 52.037 0.119 0.000 0.692 226 A CB -0.600 18.433 19.000 0.056 0.000 0.890 226 A HN 0.509 nan 8.150 nan 0.000 0.359 227 E N 0.615 120.847 120.200 0.052 0.000 2.303 227 E HA 0.861 5.211 4.350 0.001 0.000 0.254 227 E C -0.170 176.463 176.600 0.055 0.000 0.979 227 E CA -0.738 55.694 56.400 0.053 0.000 0.843 227 E CB 0.932 30.645 29.700 0.021 0.000 1.245 227 E HN 0.805 nan 8.360 nan 0.000 0.413 228 R N -0.329 120.221 120.500 0.083 0.000 2.651 228 R HA 0.307 4.647 4.340 0.001 0.000 0.278 228 R C -1.378 174.998 176.300 0.127 0.000 1.010 228 R CA -0.784 55.368 56.100 0.087 0.000 0.896 228 R CB 1.676 32.039 30.300 0.105 0.000 1.211 228 R HN 0.529 nan 8.270 nan 0.000 0.456 229 D N 1.876 122.346 120.400 0.117 0.000 2.392 229 D HA 0.210 4.851 4.640 0.001 0.000 0.228 229 D C -0.405 175.993 176.300 0.163 0.000 1.074 229 D CA -0.417 53.674 54.000 0.152 0.000 0.838 229 D CB 1.060 41.926 40.800 0.110 0.000 1.067 229 D HN 0.547 nan 8.370 nan 0.000 0.511 230 C N 2.897 122.323 119.300 0.210 0.000 2.557 230 C HA 0.223 4.684 4.460 0.001 0.000 0.281 230 C C 1.902 176.895 174.990 0.005 0.000 1.490 230 C CA -0.516 58.536 59.018 0.056 0.000 1.771 230 C CB -1.324 26.360 27.740 -0.092 0.000 2.887 230 C HN 0.534 nan 8.230 nan 0.000 0.527 231 S N 0.995 116.764 115.700 0.115 0.000 2.469 231 S HA -0.047 4.423 4.470 0.001 0.000 0.238 231 S C 1.146 175.795 174.600 0.081 0.000 0.998 231 S CA 0.926 59.192 58.200 0.111 0.000 0.957 231 S CB -0.228 63.060 63.200 0.146 0.000 0.764 231 S HN 0.562 nan 8.310 nan 0.000 0.514 232 M N 2.947 122.597 119.600 0.082 0.000 3.282 232 M HA 0.250 4.730 4.480 0.001 0.000 0.242 232 M C -0.131 176.177 176.300 0.014 0.000 1.568 232 M CA 0.062 55.405 55.300 0.071 0.000 1.668 232 M CB -1.580 31.055 32.600 0.059 0.000 1.236 232 M HN 0.224 nan 8.290 nan 0.000 0.527 233 Q N 0.902 120.714 119.800 0.019 0.000 2.348 233 Q HA 0.610 4.950 4.340 0.001 0.000 0.271 233 Q C -0.335 175.659 176.000 -0.010 0.000 1.067 233 Q CA -0.750 55.047 55.803 -0.010 0.000 0.839 233 Q CB 2.733 31.474 28.738 0.005 0.000 1.354 233 Q HN 0.401 nan 8.270 nan 0.000 0.447 234 R N 2.037 122.511 120.500 -0.042 0.000 2.521 234 R HA 0.311 4.651 4.340 0.001 0.000 0.295 234 R C -0.989 175.265 176.300 -0.077 0.000 1.183 234 R CA -0.289 55.754 56.100 -0.095 0.000 0.957 234 R CB 0.498 30.688 30.300 -0.183 0.000 1.171 234 R HN 0.798 nan 8.270 nan 0.000 0.494 235 R N 2.807 123.286 120.500 -0.035 0.000 3.336 235 R HA -0.255 4.086 4.340 0.001 0.000 0.260 235 R C -0.203 176.157 176.300 0.101 0.000 1.032 235 R CA 1.218 57.325 56.100 0.011 0.000 0.693 235 R CB -1.826 28.451 30.300 -0.040 0.000 1.134 235 R HN 1.028 nan 8.270 nan 0.000 0.433 236 H N -2.685 116.373 119.070 -0.020 0.000 3.898 236 H HA -0.191 4.365 4.556 0.001 0.000 0.171 236 H C -0.346 174.958 175.328 -0.040 0.000 0.920 236 H CA 2.078 58.115 56.048 -0.019 0.000 1.238 236 H CB -0.623 29.139 29.762 -0.000 0.000 0.997 236 H HN 0.492 nan 8.280 nan 0.000 0.380 237 Q N 1.990 121.740 119.800 -0.084 0.000 2.295 237 Q HA 0.295 4.635 4.340 0.001 0.000 0.259 237 Q C -0.215 175.709 176.000 -0.127 0.000 0.976 237 Q CA -0.085 55.644 55.803 -0.123 0.000 0.923 237 Q CB 0.676 29.381 28.738 -0.054 0.000 1.185 237 Q HN 0.341 nan 8.270 nan 0.000 0.410 238 K N 1.573 121.872 120.400 -0.168 0.000 2.355 238 K HA 0.132 4.453 4.320 0.001 0.000 0.270 238 K C 0.039 176.594 176.600 -0.074 0.000 1.003 238 K CA -0.155 56.052 56.287 -0.134 0.000 0.957 238 K CB 0.966 33.367 32.500 -0.165 0.000 0.939 238 K HN 0.388 nan 8.250 nan 0.000 0.482 239 V N 1.007 120.893 119.914 -0.046 0.000 3.251 239 V HA 0.048 4.169 4.120 0.001 0.000 0.239 239 V C -0.110 175.977 176.094 -0.012 0.000 1.332 239 V CA -0.082 62.206 62.300 -0.019 0.000 1.224 239 V CB 1.228 33.046 31.823 -0.010 0.000 1.004 239 V HN 0.445 nan 8.190 nan 0.000 0.464 240 V N 1.563 121.473 119.914 -0.008 0.000 2.569 240 V HA 0.554 4.674 4.120 0.001 0.000 0.301 240 V C -1.105 175.022 176.094 0.056 0.000 1.044 240 V CA -0.513 61.798 62.300 0.019 0.000 0.874 240 V CB 1.944 33.760 31.823 -0.012 0.000 1.002 240 V HN 0.415 nan 8.190 nan 0.000 0.424 241 E N 3.235 123.471 120.200 0.061 0.000 2.221 241 E HA 0.806 5.156 4.350 0.001 0.000 0.268 241 E C -0.764 175.895 176.600 0.098 0.000 0.933 241 E CA -0.772 55.669 56.400 0.069 0.000 0.809 241 E CB 2.245 31.964 29.700 0.032 0.000 1.190 241 E HN 0.885 nan 8.360 nan 0.000 0.406 242 E N -0.126 120.128 120.200 0.091 0.000 2.390 242 E HA 0.797 5.148 4.350 0.001 0.000 0.280 242 E C -1.734 174.848 176.600 -0.029 0.000 0.992 242 E CA -1.406 55.029 56.400 0.060 0.000 0.790 242 E CB 1.573 31.387 29.700 0.191 0.000 1.248 242 E HN 0.443 nan 8.360 nan 0.000 0.447 243 A N 2.108 124.801 122.820 -0.212 0.000 2.459 243 A HA 0.731 5.051 4.320 0.001 0.000 0.296 243 A C -2.864 174.360 177.584 -0.601 0.000 1.039 243 A CA -1.483 50.411 52.037 -0.238 0.000 0.698 243 A CB 1.577 20.520 19.000 -0.096 0.000 1.261 243 A HN 0.456 nan 8.150 nan 0.000 0.405 244 P HA 0.484 nan 4.420 nan 0.000 0.302 244 P C -0.205 177.093 177.300 -0.002 0.000 1.307 244 P CA -0.306 62.734 63.100 -0.099 0.000 0.754 244 P CB 0.708 32.406 31.700 -0.004 0.000 1.298 245 A N 0.570 123.402 122.820 0.019 0.000 2.309 245 A HA 0.506 4.827 4.320 0.001 0.000 0.290 245 A C -2.213 175.379 177.584 0.014 0.000 1.206 245 A CA -1.497 50.551 52.037 0.019 0.000 0.850 245 A CB -1.056 17.916 19.000 -0.046 0.000 1.118 245 A HN 0.319 nan 8.150 nan 0.000 0.523 246 P HA 0.271 nan 4.420 nan 0.000 0.268 246 P C 1.082 178.351 177.300 -0.052 0.000 1.205 246 P CA 1.592 64.675 63.100 -0.028 0.000 0.771 246 P CB 0.816 32.461 31.700 -0.093 0.000 0.858 247 G N 2.239 111.010 108.800 -0.049 0.000 2.176 247 G HA2 -0.200 3.761 3.960 0.001 0.000 0.253 247 G HA3 -0.200 3.761 3.960 0.001 0.000 0.253 247 G C 0.081 174.970 174.900 -0.019 0.000 0.979 247 G CA -0.442 44.642 45.100 -0.026 0.000 0.641 247 G HN 0.506 nan 8.290 nan 0.000 0.530 248 I N 3.023 123.567 120.570 -0.044 0.000 2.297 248 I HA 0.270 4.440 4.170 0.001 0.000 0.291 248 I C 1.285 177.406 176.117 0.007 0.000 1.033 248 I CA 0.217 61.495 61.300 -0.037 0.000 1.253 248 I CB 0.856 38.809 38.000 -0.079 0.000 1.396 248 I HN 0.316 nan 8.210 nan 0.000 0.476 249 T N 4.751 119.321 114.554 0.027 0.000 2.899 249 T HA 0.246 4.596 4.350 0.001 0.000 0.295 249 T C -1.670 173.054 174.700 0.040 0.000 1.033 249 T CA -1.417 60.701 62.100 0.030 0.000 1.084 249 T CB 1.404 70.289 68.868 0.029 0.000 0.979 249 T HN 0.307 nan 8.240 nan 0.000 0.532 250 P HA -0.131 nan 4.420 nan 0.000 0.218 250 P C 1.500 178.833 177.300 0.056 0.000 1.148 250 P CA 1.061 64.192 63.100 0.052 0.000 0.822 250 P CB 0.074 31.804 31.700 0.050 0.000 0.784 251 E N 0.163 120.390 120.200 0.045 0.000 2.047 251 E HA -0.135 4.215 4.350 0.001 0.000 0.191 251 E C 2.283 178.917 176.600 0.058 0.000 0.987 251 E CA 0.913 57.339 56.400 0.043 0.000 0.799 251 E CB -1.441 28.273 29.700 0.023 0.000 0.752 251 E HN 0.269 nan 8.360 nan 0.000 0.449 252 L N 0.848 122.111 121.223 0.066 0.000 2.012 252 L HA -0.156 4.184 4.340 0.001 0.000 0.210 252 L C 3.086 180.007 176.870 0.086 0.000 1.073 252 L CA 1.555 56.470 54.840 0.125 0.000 0.748 252 L CB -0.299 41.864 42.059 0.174 0.000 0.891 252 L HN 0.102 nan 8.230 nan 0.000 0.431 253 R N 0.257 120.779 120.500 0.036 0.000 2.105 253 R HA -0.191 4.149 4.340 0.001 0.000 0.239 253 R C 2.310 178.554 176.300 -0.094 0.000 1.135 253 R CA 1.618 57.704 56.100 -0.023 0.000 0.967 253 R CB -0.130 30.199 30.300 0.048 0.000 0.861 253 R HN 0.381 nan 8.270 nan 0.000 0.442 254 R N -0.668 119.820 120.500 -0.020 0.000 2.275 254 R HA -0.118 4.222 4.340 0.001 0.000 0.199 254 R C 1.740 177.914 176.300 -0.209 0.000 0.989 254 R CA 0.812 56.863 56.100 -0.081 0.000 1.016 254 R CB -0.796 29.548 30.300 0.074 0.000 0.918 254 R HN 0.386 nan 8.270 nan 0.000 0.473 255 Y N 1.828 121.973 120.300 -0.258 0.000 2.113 255 Y HA -0.169 4.382 4.550 0.000 0.000 0.269 255 Y C 2.233 177.883 175.900 -0.415 0.000 1.098 255 Y CA 1.504 59.448 58.100 -0.260 0.000 1.083 255 Y CB -0.350 38.014 38.460 -0.160 0.000 0.997 255 Y HN -0.072 nan 8.280 nan 0.000 0.476 256 I N 1.342 121.487 120.570 -0.709 0.000 2.423 256 I HA -0.179 3.992 4.170 0.001 0.000 0.254 256 I C 2.329 177.898 176.117 -0.912 0.000 1.151 256 I CA 1.781 62.454 61.300 -1.044 0.000 1.421 256 I CB -0.931 36.173 38.000 -1.492 0.000 1.079 256 I HN 0.509 nan 8.210 nan 0.000 0.431 257 G N -0.567 107.658 108.800 -0.959 0.000 2.414 257 G HA2 -0.210 3.750 3.960 0.001 0.000 0.215 257 G HA3 -0.210 3.750 3.960 0.001 0.000 0.215 257 G C 1.543 175.742 174.900 -1.167 0.000 1.188 257 G CA 0.618 44.877 45.100 -1.402 0.000 0.783 257 G HN 0.458 nan 8.290 nan 0.000 0.537 258 E N 0.508 120.147 120.200 -0.936 0.000 2.118 258 E HA -0.149 4.202 4.350 0.001 0.000 0.195 258 E C 2.745 179.123 176.600 -0.370 0.000 0.992 258 E CA 0.901 57.035 56.400 -0.444 0.000 0.804 258 E CB -0.091 29.448 29.700 -0.268 0.000 0.741 258 E HN 0.487 nan 8.360 nan 0.000 0.458 259 R N 0.096 120.304 120.500 -0.487 0.000 2.119 259 R HA 0.030 4.370 4.340 0.001 0.000 0.222 259 R C 2.458 178.502 176.300 -0.426 0.000 1.088 259 R CA 0.878 56.731 56.100 -0.412 0.000 0.984 259 R CB -0.637 29.379 30.300 -0.473 0.000 0.884 259 R HN 0.141 nan 8.270 nan 0.000 0.447 260 C N 1.350 120.303 119.300 -0.578 0.000 2.425 260 C HA -0.027 4.434 4.460 0.001 0.000 0.277 260 C C 3.107 177.803 174.990 -0.490 0.000 1.280 260 C CA 1.044 59.572 59.018 -0.817 0.000 1.744 260 C CB -0.893 26.265 27.740 -0.970 0.000 1.989 260 C HN 0.650 nan 8.230 nan 0.000 0.491 261 A N 1.043 123.693 122.820 -0.282 0.000 1.902 261 A HA -0.227 4.093 4.320 0.001 0.000 0.217 261 A C 2.096 179.639 177.584 -0.069 0.000 1.181 261 A CA 2.143 54.129 52.037 -0.085 0.000 0.623 261 A CB -0.566 18.455 19.000 0.035 0.000 0.818 261 A HN 0.768 nan 8.150 nan 0.000 0.443 262 K N 0.075 120.405 120.400 -0.117 0.000 2.002 262 K HA -0.025 4.295 4.320 0.001 0.000 0.209 262 K C 2.053 178.620 176.600 -0.055 0.000 1.048 262 K CA 1.732 57.971 56.287 -0.080 0.000 0.930 262 K CB -0.575 31.866 32.500 -0.098 0.000 0.714 262 K HN 0.238 nan 8.250 nan 0.000 0.438 263 A N 1.232 123.999 122.820 -0.088 0.000 1.892 263 A HA -0.220 4.100 4.320 0.001 0.000 0.218 263 A C 2.522 180.145 177.584 0.065 0.000 1.188 263 A CA 1.891 53.915 52.037 -0.022 0.000 0.631 263 A CB -1.364 17.616 19.000 -0.034 0.000 0.822 263 A HN 0.643 nan 8.150 nan 0.000 0.447 264 C N -1.190 118.168 119.300 0.098 0.000 2.385 264 C HA -0.135 4.325 4.460 0.001 0.000 0.275 264 C C 2.748 177.824 174.990 0.144 0.000 1.207 264 C CA 1.299 60.409 59.018 0.152 0.000 1.760 264 C CB -1.463 26.366 27.740 0.148 0.000 2.051 264 C HN 0.501 nan 8.230 nan 0.000 0.467 265 V N 0.908 120.873 119.914 0.086 0.000 2.407 265 V HA -0.195 3.926 4.120 0.001 0.000 0.248 265 V C 2.020 178.148 176.094 0.057 0.000 1.055 265 V CA 2.270 64.611 62.300 0.069 0.000 1.049 265 V CB -0.788 31.058 31.823 0.039 0.000 0.662 265 V HN 0.442 nan 8.190 nan 0.000 0.455 266 D N 0.475 120.900 120.400 0.042 0.000 2.178 266 D HA -0.105 4.535 4.640 0.001 0.000 0.201 266 D C 1.792 178.115 176.300 0.039 0.000 0.980 266 D CA 1.606 55.622 54.000 0.026 0.000 0.842 266 D CB -0.125 40.678 40.800 0.005 0.000 0.948 266 D HN 0.702 nan 8.370 nan 0.000 0.472 267 I N -4.572 116.039 120.570 0.069 0.000 3.956 267 I HA 0.358 4.529 4.170 0.001 0.000 0.333 267 I C 1.049 177.226 176.117 0.100 0.000 1.302 267 I CA 0.203 61.553 61.300 0.084 0.000 1.122 267 I CB 0.156 38.216 38.000 0.100 0.000 1.013 267 I HN -0.054 nan 8.210 nan 0.000 0.405 268 G N 1.798 110.657 108.800 0.098 0.000 2.295 268 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 268 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 268 G C -0.131 174.831 174.900 0.102 0.000 1.055 268 G CA 0.242 45.390 45.100 0.080 0.000 0.922 268 G HN 0.657 nan 8.290 nan 0.000 0.503 269 Y N 0.396 120.718 120.300 0.037 0.000 2.359 269 Y HA 0.530 5.080 4.550 0.000 0.000 0.330 269 Y C 0.849 176.771 175.900 0.037 0.000 1.143 269 Y CA -0.215 57.911 58.100 0.043 0.000 1.318 269 Y CB 0.633 39.133 38.460 0.066 0.000 1.234 269 Y HN 0.421 nan 8.280 nan 0.000 0.522 270 R N 4.268 124.420 120.500 -0.579 0.000 2.561 270 R HA 0.601 4.942 4.340 0.001 0.000 0.297 270 R C -0.329 175.708 176.300 -0.438 0.000 0.969 270 R CA 0.182 56.089 56.100 -0.322 0.000 0.879 270 R CB 1.264 31.425 30.300 -0.232 0.000 1.178 270 R HN 1.007 nan 8.270 nan 0.000 0.445 271 G N 1.707 110.451 108.800 -0.092 0.000 2.660 271 G HA2 -0.003 3.958 3.960 0.001 0.000 0.247 271 G HA3 -0.003 3.958 3.960 0.001 0.000 0.247 271 G C -0.796 174.231 174.900 0.212 0.000 1.328 271 G CA -0.432 44.654 45.100 -0.023 0.000 0.884 271 G HN 0.884 nan 8.290 nan 0.000 0.531 272 A N -0.608 122.300 122.820 0.147 0.000 2.351 272 A HA 0.959 5.280 4.320 0.001 0.000 0.257 272 A C 0.980 178.740 177.584 0.294 0.000 1.087 272 A CA 1.194 53.345 52.037 0.190 0.000 0.798 272 A CB 0.909 19.956 19.000 0.078 0.000 1.033 272 A HN 2.667 nan 8.150 nan 0.000 0.488 273 G N -0.724 108.181 108.800 0.174 0.000 2.547 273 G HA2 0.565 4.526 3.960 0.001 0.000 0.291 273 G HA3 0.565 4.526 3.960 0.001 0.000 0.291 273 G C -1.118 173.778 174.900 -0.007 0.000 1.471 273 G CA -0.289 44.841 45.100 0.050 0.000 0.798 273 G HN 0.875 nan 8.290 nan 0.000 0.504 274 T N 0.378 114.886 114.554 -0.077 0.000 2.886 274 T HA 0.572 4.922 4.350 0.001 0.000 0.292 274 T C -1.360 173.261 174.700 -0.132 0.000 1.012 274 T CA -0.248 61.855 62.100 0.005 0.000 0.982 274 T CB 1.379 70.278 68.868 0.052 0.000 1.018 274 T HN 0.303 nan 8.240 nan 0.000 0.451 275 F N 2.167 122.116 119.950 -0.002 0.000 2.332 275 F HA 0.312 4.840 4.527 0.001 0.000 0.368 275 F C 1.010 176.665 175.800 -0.243 0.000 1.110 275 F CA -0.863 57.084 58.000 -0.087 0.000 1.087 275 F CB 0.862 39.888 39.000 0.042 0.000 1.235 275 F HN 0.446 nan 8.300 nan 0.000 0.470 276 E N 4.104 124.140 120.200 -0.273 0.000 2.257 276 E HA 0.256 4.606 4.350 0.001 0.000 0.278 276 E C -1.105 175.156 176.600 -0.565 0.000 1.049 276 E CA 0.036 56.243 56.400 -0.321 0.000 0.876 276 E CB 0.824 30.394 29.700 -0.217 0.000 1.035 276 E HN 0.336 nan 8.360 nan 0.000 0.419 277 F N 2.200 122.081 119.950 -0.114 0.000 2.551 277 F HA 0.285 4.813 4.527 0.001 0.000 0.316 277 F C -0.150 175.674 175.800 0.039 0.000 1.089 277 F CA -1.089 56.958 58.000 0.079 0.000 0.915 277 F CB 0.999 40.203 39.000 0.340 0.000 1.186 277 F HN 0.228 nan 8.300 nan 0.000 0.456 278 L N 2.838 124.282 121.223 0.368 0.000 2.375 278 L HA 0.434 4.774 4.340 0.001 0.000 0.271 278 L C -1.136 175.984 176.870 0.417 0.000 1.107 278 L CA -0.570 54.459 54.840 0.315 0.000 0.806 278 L CB 0.888 43.118 42.059 0.286 0.000 1.146 278 L HN 0.558 nan 8.230 nan 0.000 0.447 279 F N 3.470 123.476 119.950 0.092 0.000 2.612 279 F HA 0.450 4.978 4.527 0.001 0.000 0.332 279 F C -0.364 175.399 175.800 -0.062 0.000 1.167 279 F CA -0.282 57.664 58.000 -0.089 0.000 0.970 279 F CB 0.957 39.840 39.000 -0.195 0.000 1.234 279 F HN 0.486 nan 8.300 nan 0.000 0.453 280 E N 3.962 123.868 120.200 -0.490 0.000 2.292 280 E HA 0.273 4.623 4.350 0.001 0.000 0.272 280 E C -0.773 175.505 176.600 -0.537 0.000 0.881 280 E CA -0.836 55.336 56.400 -0.381 0.000 0.754 280 E CB 1.568 31.230 29.700 -0.063 0.000 1.201 280 E HN 0.681 nan 8.360 nan 0.000 0.425 281 N N 1.393 119.817 118.700 -0.459 0.000 2.758 281 N HA -0.180 4.560 4.740 0.001 0.000 0.248 281 N C 0.390 175.614 175.510 -0.475 0.000 1.076 281 N CA 1.250 54.093 53.050 -0.346 0.000 0.696 281 N CB -1.370 37.001 38.487 -0.193 0.000 0.979 281 N HN 0.946 nan 8.380 nan 0.000 0.550 282 G N -0.997 107.353 108.800 -0.750 0.000 2.296 282 G HA2 -0.325 3.635 3.960 0.001 0.000 0.282 282 G HA3 -0.325 3.635 3.960 0.001 0.000 0.282 282 G C -0.280 174.261 174.900 -0.598 0.000 1.014 282 G CA 0.980 45.734 45.100 -0.576 0.000 0.812 282 G HN 0.523 nan 8.290 nan 0.000 0.508 283 E N -1.190 118.453 120.200 -0.929 0.000 2.266 283 E HA 0.634 4.984 4.350 0.001 0.000 0.268 283 E C -0.628 175.393 176.600 -0.966 0.000 0.879 283 E CA -0.734 55.230 56.400 -0.726 0.000 0.762 283 E CB 1.453 30.805 29.700 -0.579 0.000 1.199 283 E HN 0.096 nan 8.360 nan 0.000 0.422 284 F N 1.203 120.882 119.950 -0.451 0.000 2.458 284 F HA 0.454 4.981 4.527 0.001 0.000 0.330 284 F C -0.315 175.278 175.800 -0.346 0.000 1.082 284 F CA -0.514 57.345 58.000 -0.236 0.000 0.995 284 F CB 1.094 39.944 39.000 -0.249 0.000 1.170 284 F HN 0.307 nan 8.300 nan 0.000 0.478 285 Y N 1.821 122.502 120.300 0.635 0.000 2.361 285 Y HA 0.267 4.817 4.550 0.001 0.000 0.328 285 Y C -0.709 175.544 175.900 0.589 0.000 1.044 285 Y CA -1.202 57.207 58.100 0.515 0.000 1.085 285 Y CB 1.499 40.124 38.460 0.274 0.000 1.194 285 Y HN 0.484 nan 8.280 nan 0.000 0.438 286 F N 4.514 124.755 119.950 0.485 0.000 2.543 286 F HA 0.219 4.746 4.527 0.001 0.000 0.375 286 F C 0.224 176.066 175.800 0.070 0.000 1.075 286 F CA 0.370 58.411 58.000 0.067 0.000 1.225 286 F CB 0.492 39.528 39.000 0.060 0.000 1.099 286 F HN 0.524 nan 8.300 nan 0.000 0.561 287 I N 4.102 124.266 120.570 -0.677 0.000 3.194 287 I HA 0.145 4.315 4.170 0.001 0.000 0.271 287 I C 0.005 175.666 176.117 -0.760 0.000 1.150 287 I CA 0.161 61.194 61.300 -0.445 0.000 1.440 287 I CB -0.159 37.712 38.000 -0.215 0.000 1.276 287 I HN 0.586 nan 8.210 nan 0.000 0.457 288 K N 0.038 119.653 120.400 -1.310 0.000 2.644 288 K HA 0.532 4.853 4.320 0.001 0.000 0.284 288 K C -1.317 174.823 176.600 -0.767 0.000 1.023 288 K CA -0.894 54.827 56.287 -0.944 0.000 0.809 288 K CB 1.784 34.094 32.500 -0.317 0.000 1.504 288 K HN -0.107 nan 8.250 nan 0.000 0.365 289 M N 1.910 121.371 119.600 -0.233 0.000 2.224 289 M HA 0.366 4.846 4.480 0.001 0.000 0.281 289 M C -2.005 174.213 176.300 -0.137 0.000 1.025 289 M CA -0.638 54.533 55.300 -0.215 0.000 0.954 289 M CB 2.038 34.485 32.600 -0.255 0.000 1.639 289 M HN 0.652 nan 8.290 nan 0.000 0.461 290 N N 3.364 121.984 118.700 -0.133 0.000 2.462 290 N HA 0.210 4.950 4.740 0.001 0.000 0.242 290 N C -0.138 175.370 175.510 -0.004 0.000 1.010 290 N CA -0.091 52.938 53.050 -0.035 0.000 0.939 290 N CB 1.346 39.825 38.487 -0.012 0.000 1.127 290 N HN 0.580 nan 8.380 nan 0.000 0.509 291 T N 0.297 114.899 114.554 0.081 0.000 4.058 291 T HA 0.355 4.706 4.350 0.001 0.000 0.252 291 T C 0.490 175.311 174.700 0.202 0.000 1.264 291 T CA -0.597 61.631 62.100 0.214 0.000 1.094 291 T CB -0.464 68.546 68.868 0.235 0.000 1.316 291 T HN 0.745 nan 8.240 nan 0.000 0.872 292 R N -0.801 119.800 120.500 0.167 0.000 2.979 292 R HA 0.505 4.846 4.340 0.001 0.000 0.286 292 R C -1.942 174.427 176.300 0.115 0.000 0.972 292 R CA -1.123 55.060 56.100 0.138 0.000 0.828 292 R CB 0.037 30.431 30.300 0.156 0.000 1.368 292 R HN 0.123 nan 8.270 nan 0.000 0.511 293 I N 1.443 122.081 120.570 0.115 0.000 2.581 293 I HA 0.230 4.401 4.170 0.001 0.000 0.288 293 I C -0.179 176.031 176.117 0.154 0.000 1.047 293 I CA -0.080 61.267 61.300 0.080 0.000 1.374 293 I CB 1.294 39.285 38.000 -0.016 0.000 1.423 293 I HN 0.515 nan 8.210 nan 0.000 0.549 294 Q N 4.042 123.924 119.800 0.136 0.000 2.297 294 Q HA 0.339 4.679 4.340 0.001 0.000 0.269 294 Q C 0.835 176.908 176.000 0.122 0.000 1.051 294 Q CA -0.874 54.977 55.803 0.081 0.000 0.869 294 Q CB 1.828 30.587 28.738 0.035 0.000 1.346 294 Q HN 0.480 nan 8.270 nan 0.000 0.457 295 V N 1.111 120.858 119.914 -0.279 0.000 2.392 295 V HA -0.226 3.894 4.120 0.001 0.000 0.249 295 V C 1.584 177.679 176.094 0.003 0.000 1.059 295 V CA 2.059 64.222 62.300 -0.228 0.000 1.051 295 V CB -0.416 31.143 31.823 -0.440 0.000 0.658 295 V HN 0.762 nan 8.190 nan 0.000 0.455 296 E N 0.666 120.863 120.200 -0.005 0.000 2.335 296 E HA -0.086 4.265 4.350 0.001 0.000 0.191 296 E C 1.424 178.044 176.600 0.034 0.000 1.077 296 E CA 0.005 56.401 56.400 -0.006 0.000 1.010 296 E CB -0.747 28.948 29.700 -0.009 0.000 1.141 296 E HN 0.888 nan 8.360 nan 0.000 0.452 297 H N 0.072 119.159 119.070 0.029 0.000 2.524 297 H HA 0.143 4.699 4.556 0.001 0.000 0.282 297 H C -1.113 174.235 175.328 0.033 0.000 1.016 297 H CA 0.034 56.107 56.048 0.041 0.000 1.270 297 H CB -0.973 28.824 29.762 0.058 0.000 1.394 297 H HN 0.123 nan 8.280 nan 0.000 0.568 298 P HA -0.131 nan 4.420 nan 0.000 0.217 298 P C 2.270 179.529 177.300 -0.068 0.000 1.150 298 P CA 1.720 64.668 63.100 -0.253 0.000 0.832 298 P CB -0.230 31.286 31.700 -0.306 0.000 0.787 299 V N -2.847 117.045 119.914 -0.036 0.000 2.324 299 V HA -0.272 3.848 4.120 0.001 0.000 0.250 299 V C 2.017 178.121 176.094 0.015 0.000 1.060 299 V CA 2.734 65.035 62.300 0.002 0.000 1.042 299 V CB -2.439 29.384 31.823 0.000 0.000 0.650 299 V HN 0.063 nan 8.190 nan 0.000 0.450 300 T N -0.063 114.509 114.554 0.029 0.000 2.904 300 T HA -0.054 4.297 4.350 0.001 0.000 0.267 300 T C 1.774 176.498 174.700 0.041 0.000 1.059 300 T CA 1.658 63.783 62.100 0.043 0.000 1.137 300 T CB -0.286 68.624 68.868 0.070 0.000 0.879 300 T HN 0.709 nan 8.240 nan 0.000 0.467 301 E N 0.398 120.624 120.200 0.044 0.000 2.274 301 E HA 0.002 4.352 4.350 0.001 0.000 0.194 301 E C 2.013 178.607 176.600 -0.009 0.000 0.996 301 E CA 0.613 57.033 56.400 0.033 0.000 0.840 301 E CB 0.024 29.753 29.700 0.047 0.000 0.772 301 E HN 0.404 nan 8.360 nan 0.000 0.491 302 M N 0.184 119.776 119.600 -0.012 0.000 2.160 302 M HA -0.017 4.464 4.480 0.001 0.000 0.264 302 M C 2.507 178.786 176.300 -0.036 0.000 1.073 302 M CA 1.124 56.384 55.300 -0.066 0.000 1.142 302 M CB -0.757 31.856 32.600 0.022 0.000 1.358 302 M HN 0.156 nan 8.290 nan 0.000 0.422 303 I N -1.340 119.284 120.570 0.090 0.000 3.176 303 I HA -0.058 4.112 4.170 0.001 0.000 0.275 303 I C 1.799 177.962 176.117 0.077 0.000 1.298 303 I CA 1.290 62.679 61.300 0.148 0.000 1.445 303 I CB -0.855 37.202 38.000 0.095 0.000 1.075 303 I HN 0.262 nan 8.210 nan 0.000 0.482 304 T N -3.737 110.834 114.554 0.029 0.000 2.964 304 T HA 0.480 4.830 4.350 0.001 0.000 0.249 304 T C 1.667 176.367 174.700 0.001 0.000 1.000 304 T CA 0.455 62.564 62.100 0.015 0.000 0.992 304 T CB 0.427 69.293 68.868 -0.004 0.000 1.087 304 T HN 0.541 nan 8.240 nan 0.000 0.489 305 G N 1.241 110.030 108.800 -0.019 0.000 2.176 305 G HA2 -0.227 3.733 3.960 0.001 0.000 0.253 305 G HA3 -0.227 3.733 3.960 0.001 0.000 0.253 305 G C 0.054 174.948 174.900 -0.010 0.000 0.979 305 G CA -0.005 45.080 45.100 -0.026 0.000 0.641 305 G HN 0.795 nan 8.290 nan 0.000 0.530 306 V N 1.424 121.337 119.914 -0.002 0.000 2.498 306 V HA 0.457 4.577 4.120 0.001 0.000 0.279 306 V C 0.183 176.293 176.094 0.026 0.000 1.048 306 V CA -0.557 61.746 62.300 0.006 0.000 0.967 306 V CB 1.809 33.632 31.823 -0.001 0.000 0.988 306 V HN 0.286 nan 8.190 nan 0.000 0.473 307 D N 4.140 124.556 120.400 0.027 0.000 2.441 307 D HA 0.271 4.911 4.640 0.001 0.000 0.221 307 D C 0.996 177.322 176.300 0.042 0.000 1.156 307 D CA -0.099 53.928 54.000 0.044 0.000 0.896 307 D CB 1.118 41.937 40.800 0.032 0.000 1.028 307 D HN 0.440 nan 8.370 nan 0.000 0.509 308 L N 3.526 124.788 121.223 0.065 0.000 1.971 308 L HA -0.246 4.094 4.340 0.001 0.000 0.215 308 L C 2.183 179.049 176.870 -0.006 0.000 1.072 308 L CA 0.806 55.661 54.840 0.025 0.000 0.758 308 L CB -0.403 41.671 42.059 0.025 0.000 0.889 308 L HN 0.483 nan 8.230 nan 0.000 0.433 309 I N 0.178 120.740 120.570 -0.013 0.000 2.194 309 I HA -0.312 3.859 4.170 0.001 0.000 0.246 309 I C 2.487 178.616 176.117 0.019 0.000 1.093 309 I CA 1.732 63.036 61.300 0.006 0.000 1.355 309 I CB -1.186 36.821 38.000 0.011 0.000 1.046 309 I HN 0.327 nan 8.210 nan 0.000 0.413 310 K N 0.401 120.812 120.400 0.018 0.000 2.057 310 K HA -0.146 4.174 4.320 0.001 0.000 0.206 310 K C 1.964 178.566 176.600 0.003 0.000 1.050 310 K CA 0.955 57.249 56.287 0.012 0.000 0.935 310 K CB -0.057 32.451 32.500 0.013 0.000 0.715 310 K HN 0.327 nan 8.250 nan 0.000 0.439 311 E N 1.220 121.422 120.200 0.003 0.000 2.118 311 E HA -0.223 4.128 4.350 0.001 0.000 0.195 311 E C 2.047 178.636 176.600 -0.017 0.000 0.992 311 E CA 1.285 57.683 56.400 -0.003 0.000 0.804 311 E CB -0.163 29.539 29.700 0.004 0.000 0.741 311 E HN 0.453 nan 8.360 nan 0.000 0.458 312 Q N 0.418 120.202 119.800 -0.026 0.000 2.050 312 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 312 Q C 2.555 178.504 176.000 -0.085 0.000 0.980 312 Q CA 0.978 56.739 55.803 -0.070 0.000 0.840 312 Q CB -0.243 28.432 28.738 -0.105 0.000 0.898 312 Q HN 0.294 nan 8.270 nan 0.000 0.424 313 L N 0.264 121.458 121.223 -0.048 0.000 2.131 313 L HA -0.183 4.158 4.340 0.001 0.000 0.210 313 L C 2.576 179.427 176.870 -0.033 0.000 1.092 313 L CA 1.124 55.942 54.840 -0.037 0.000 0.759 313 L CB -0.424 41.635 42.059 -0.000 0.000 0.903 313 L HN 0.211 nan 8.230 nan 0.000 0.435 314 R N 0.206 120.692 120.500 -0.024 0.000 2.057 314 R HA -0.094 4.246 4.340 0.001 0.000 0.229 314 R C 2.321 178.606 176.300 -0.026 0.000 1.136 314 R CA 1.287 57.376 56.100 -0.019 0.000 0.952 314 R CB -0.438 29.856 30.300 -0.010 0.000 0.848 314 R HN 0.232 nan 8.270 nan 0.000 0.430 315 I N 1.144 121.695 120.570 -0.032 0.000 2.151 315 I HA -0.338 3.833 4.170 0.001 0.000 0.243 315 I C 2.663 178.751 176.117 -0.050 0.000 1.080 315 I CA 1.635 62.914 61.300 -0.036 0.000 1.339 315 I CB -0.459 37.517 38.000 -0.040 0.000 1.039 315 I HN 0.212 nan 8.210 nan 0.000 0.409 316 A N 0.499 123.277 122.820 -0.070 0.000 1.917 316 A HA -0.196 4.125 4.320 0.001 0.000 0.219 316 A C 2.351 179.908 177.584 -0.045 0.000 1.182 316 A CA 2.009 54.000 52.037 -0.077 0.000 0.633 316 A CB -0.947 17.984 19.000 -0.115 0.000 0.819 316 A HN 0.460 nan 8.150 nan 0.000 0.448 317 A N -2.149 120.651 122.820 -0.033 0.000 2.252 317 A HA 0.409 4.729 4.320 0.001 0.000 0.207 317 A C 1.779 179.353 177.584 -0.017 0.000 1.194 317 A CA 1.212 53.238 52.037 -0.019 0.000 0.809 317 A CB -0.961 18.031 19.000 -0.013 0.000 0.814 317 A HN 1.936 nan 8.150 nan 0.000 0.482 318 G N -1.576 107.212 108.800 -0.021 0.000 2.194 318 G HA2 -0.230 3.730 3.960 0.001 0.000 0.236 318 G HA3 -0.230 3.730 3.960 0.001 0.000 0.236 318 G C 0.194 175.086 174.900 -0.013 0.000 0.987 318 G CA 0.156 45.246 45.100 -0.017 0.000 0.635 318 G HN 0.598 nan 8.290 nan 0.000 0.520 319 Q N 1.293 121.086 119.800 -0.013 0.000 2.454 319 Q HA 0.416 4.756 4.340 0.001 0.000 0.247 319 Q C -2.065 173.931 176.000 -0.008 0.000 1.028 319 Q CA -1.066 54.731 55.803 -0.009 0.000 0.910 319 Q CB 0.972 29.705 28.738 -0.008 0.000 1.276 319 Q HN 0.338 nan 8.270 nan 0.000 0.489 320 P HA 0.152 nan 4.420 nan 0.000 0.281 320 P C -0.533 176.766 177.300 -0.002 0.000 1.281 320 P CA -0.544 62.555 63.100 -0.002 0.000 0.811 320 P CB 0.684 32.383 31.700 -0.002 0.000 1.154 321 L N 1.069 122.292 121.223 0.001 0.000 2.499 321 L HA -0.033 4.307 4.340 0.001 0.000 0.273 321 L C 1.729 178.595 176.870 -0.007 0.000 1.195 321 L CA 0.447 55.286 54.840 -0.001 0.000 0.882 321 L CB 0.384 42.443 42.059 -0.001 0.000 1.133 321 L HN 0.522 nan 8.230 nan 0.000 0.483 322 S N 3.505 119.200 115.700 -0.008 0.000 2.496 322 S HA 0.171 4.642 4.470 0.001 0.000 0.224 322 S C 0.586 175.177 174.600 -0.015 0.000 0.996 322 S CA 0.015 58.210 58.200 -0.009 0.000 0.927 322 S CB 0.022 63.218 63.200 -0.007 0.000 0.774 322 S HN 0.465 nan 8.310 nan 0.000 0.524 323 I N 0.732 121.287 120.570 -0.024 0.000 2.797 323 I HA 0.501 4.671 4.170 0.001 0.000 0.307 323 I C -0.129 175.958 176.117 -0.050 0.000 1.033 323 I CA -1.004 60.272 61.300 -0.040 0.000 1.071 323 I CB 1.754 39.722 38.000 -0.053 0.000 1.255 323 I HN -0.105 nan 8.210 nan 0.000 0.445 324 K N 1.994 122.353 120.400 -0.068 0.000 2.267 324 K HA 0.269 4.589 4.320 0.001 0.000 0.246 324 K C 0.191 176.715 176.600 -0.127 0.000 0.954 324 K CA -0.784 55.459 56.287 -0.073 0.000 0.824 324 K CB 2.269 34.739 32.500 -0.049 0.000 1.167 324 K HN 0.412 nan 8.250 nan 0.000 0.431 325 Q N 1.772 121.491 119.800 -0.135 0.000 2.096 325 Q HA -0.233 4.108 4.340 0.001 0.000 0.208 325 Q C 0.985 176.840 176.000 -0.242 0.000 0.993 325 Q CA 2.294 57.964 55.803 -0.222 0.000 0.862 325 Q CB -0.061 28.575 28.738 -0.170 0.000 0.915 325 Q HN 0.668 nan 8.270 nan 0.000 0.416 326 E N -0.638 119.472 120.200 -0.150 0.000 2.515 326 E HA -0.139 4.211 4.350 0.001 0.000 0.201 326 E C 0.949 177.439 176.600 -0.184 0.000 1.071 326 E CA 1.053 57.383 56.400 -0.116 0.000 0.880 326 E CB -0.033 29.650 29.700 -0.028 0.000 0.828 326 E HN 0.463 nan 8.360 nan 0.000 0.540 327 E N 0.341 120.385 120.200 -0.260 0.000 2.498 327 E HA 0.103 4.453 4.350 0.001 0.000 0.203 327 E C -0.603 175.636 176.600 -0.601 0.000 1.013 327 E CA -0.173 56.059 56.400 -0.280 0.000 0.927 327 E CB 1.067 30.704 29.700 -0.105 0.000 1.012 327 E HN 0.010 nan 8.360 nan 0.000 0.482 328 V N 1.964 121.496 119.914 -0.638 0.000 2.385 328 V HA 0.179 4.299 4.120 0.001 0.000 0.269 328 V C -0.757 174.940 176.094 -0.662 0.000 1.043 328 V CA -0.311 61.672 62.300 -0.529 0.000 0.906 328 V CB 0.476 32.078 31.823 -0.368 0.000 0.995 328 V HN 0.210 nan 8.190 nan 0.000 0.467 329 H N 2.373 121.415 119.070 -0.047 0.000 2.609 329 H HA 0.498 5.054 4.556 0.000 0.000 0.344 329 H C -0.578 174.747 175.328 -0.005 0.000 1.040 329 H CA -0.840 55.195 56.048 -0.022 0.000 1.216 329 H CB 1.852 31.609 29.762 -0.008 0.000 1.529 329 H HN 0.402 nan 8.280 nan 0.000 0.519 330 V N 4.454 124.436 119.914 0.113 0.000 2.405 330 V HA 0.227 4.348 4.120 0.001 0.000 0.264 330 V C 0.205 176.362 176.094 0.104 0.000 1.048 330 V CA 0.028 62.378 62.300 0.084 0.000 0.966 330 V CB -0.046 31.814 31.823 0.062 0.000 1.015 330 V HN 0.700 nan 8.190 nan 0.000 0.477 331 R N 3.689 124.264 120.500 0.126 0.000 2.476 331 R HA 0.653 4.993 4.340 0.001 0.000 0.305 331 R C 0.565 177.012 176.300 0.245 0.000 0.965 331 R CA 0.348 56.543 56.100 0.158 0.000 0.867 331 R CB 1.851 32.249 30.300 0.163 0.000 1.176 331 R HN 0.996 nan 8.270 nan 0.000 0.447 332 G N 1.520 110.390 108.800 0.116 0.000 2.593 332 G HA2 -0.300 3.660 3.960 0.001 0.000 0.237 332 G HA3 -0.300 3.660 3.960 0.001 0.000 0.237 332 G C -1.150 173.694 174.900 -0.094 0.000 1.312 332 G CA -0.156 44.885 45.100 -0.100 0.000 0.896 332 G HN 0.723 nan 8.290 nan 0.000 0.574 333 H N -0.587 118.223 119.070 -0.434 0.000 2.851 333 H HA 0.732 5.288 4.556 0.001 0.000 0.372 333 H C -0.038 175.182 175.328 -0.180 0.000 1.158 333 H CA 0.306 56.224 56.048 -0.217 0.000 1.159 333 H CB 1.695 31.352 29.762 -0.175 0.000 1.757 333 H HN 1.408 nan 8.280 nan 0.000 0.546 334 A N 3.172 125.826 122.820 -0.277 0.000 2.414 334 A HA 0.667 4.988 4.320 0.001 0.000 0.306 334 A C -1.575 176.016 177.584 0.011 0.000 1.054 334 A CA -0.583 51.440 52.037 -0.023 0.000 0.724 334 A CB 1.412 20.431 19.000 0.032 0.000 1.267 334 A HN 0.438 nan 8.150 nan 0.000 0.418 335 V N 2.023 122.005 119.914 0.112 0.000 2.569 335 V HA 0.471 4.591 4.120 0.001 0.000 0.301 335 V C -0.347 175.818 176.094 0.117 0.000 1.044 335 V CA -0.487 61.904 62.300 0.151 0.000 0.874 335 V CB 1.543 33.498 31.823 0.219 0.000 1.002 335 V HN 0.992 nan 8.190 nan 0.000 0.424 336 E N 3.811 124.066 120.200 0.092 0.000 2.171 336 E HA 0.522 4.872 4.350 0.001 0.000 0.271 336 E C -1.450 175.189 176.600 0.064 0.000 0.916 336 E CA -0.434 56.006 56.400 0.067 0.000 0.774 336 E CB 1.749 31.464 29.700 0.025 0.000 1.128 336 E HN 0.698 nan 8.360 nan 0.000 0.403 337 C N 4.907 124.253 119.300 0.077 0.000 2.298 337 C HA 0.467 4.928 4.460 0.001 0.000 0.323 337 C C 0.132 175.166 174.990 0.074 0.000 1.284 337 C CA -0.777 58.281 59.018 0.067 0.000 1.577 337 C CB 0.134 27.921 27.740 0.078 0.000 2.249 337 C HN 0.748 nan 8.230 nan 0.000 0.497 338 R N 2.824 123.351 120.500 0.046 0.000 2.490 338 R HA 0.469 4.810 4.340 0.001 0.000 0.280 338 R C -0.402 175.947 176.300 0.081 0.000 1.077 338 R CA -0.201 55.926 56.100 0.045 0.000 1.065 338 R CB 0.500 30.809 30.300 0.016 0.000 1.003 338 R HN 0.540 nan 8.270 nan 0.000 0.470 339 I N 2.844 123.477 120.570 0.105 0.000 2.321 339 I HA 0.227 4.397 4.170 0.001 0.000 0.291 339 I C 0.096 176.276 176.117 0.105 0.000 0.998 339 I CA -0.336 61.051 61.300 0.144 0.000 1.227 339 I CB 0.992 39.150 38.000 0.262 0.000 1.368 339 I HN 0.603 nan 8.210 nan 0.000 0.466 340 N N 3.704 122.458 118.700 0.089 0.000 2.384 340 N HA 0.609 5.350 4.740 0.001 0.000 0.301 340 N C -0.465 175.079 175.510 0.058 0.000 1.133 340 N CA -0.683 52.410 53.050 0.072 0.000 0.853 340 N CB 2.447 40.975 38.487 0.069 0.000 1.241 340 N HN 0.668 nan 8.380 nan 0.000 0.502 341 A N 1.830 124.680 122.820 0.050 0.000 2.774 341 A HA 0.217 4.537 4.320 0.001 0.000 0.326 341 A C -0.131 177.457 177.584 0.007 0.000 1.478 341 A CA -0.123 51.931 52.037 0.028 0.000 1.099 341 A CB -0.450 18.569 19.000 0.032 0.000 1.148 341 A HN 0.785 nan 8.150 nan 0.000 0.519 342 E N 1.171 121.361 120.200 -0.016 0.000 2.430 342 E HA 0.282 4.632 4.350 0.001 0.000 0.279 342 E C -1.861 174.667 176.600 -0.119 0.000 1.003 342 E CA -0.884 55.487 56.400 -0.048 0.000 0.801 342 E CB 1.074 30.765 29.700 -0.015 0.000 1.313 342 E HN 0.161 nan 8.360 nan 0.000 0.459 343 D N 1.990 122.292 120.400 -0.163 0.000 2.339 343 D HA 0.184 4.824 4.640 0.001 0.000 0.241 343 D C -1.618 174.403 176.300 -0.464 0.000 1.183 343 D CA -2.267 51.599 54.000 -0.224 0.000 0.859 343 D CB 1.561 42.268 40.800 -0.156 0.000 1.067 343 D HN 0.184 nan 8.370 nan 0.000 0.484 344 P HA -0.090 nan 4.420 nan 0.000 0.226 344 P C 0.412 177.267 177.300 -0.743 0.000 1.146 344 P CA 1.045 63.703 63.100 -0.736 0.000 0.773 344 P CB 0.354 31.845 31.700 -0.348 0.000 0.772 345 N N -1.053 117.408 118.700 -0.398 0.000 2.319 345 N HA -0.055 4.685 4.740 0.001 0.000 0.189 345 N C 1.644 177.116 175.510 -0.062 0.000 1.042 345 N CA 1.452 54.400 53.050 -0.169 0.000 0.879 345 N CB -0.794 37.653 38.487 -0.068 0.000 1.052 345 N HN 0.134 nan 8.380 nan 0.000 0.446 346 T N -1.331 113.178 114.554 -0.076 0.000 2.951 346 T HA -0.022 4.329 4.350 0.001 0.000 0.268 346 T C 0.648 175.447 174.700 0.164 0.000 1.073 346 T CA 0.481 62.605 62.100 0.040 0.000 1.134 346 T CB -0.516 68.357 68.868 0.009 0.000 0.884 346 T HN 0.292 nan 8.240 nan 0.000 0.479 347 F N -0.939 119.009 119.950 -0.004 0.000 2.988 347 F HA -0.101 4.426 4.527 0.001 0.000 0.287 347 F C 0.047 175.845 175.800 -0.002 0.000 0.781 347 F CA -0.347 57.651 58.000 -0.002 0.000 1.221 347 F CB -1.847 37.153 39.000 -0.001 0.000 1.392 347 F HN 0.228 nan 8.300 nan 0.000 0.425 348 L N 2.013 123.262 121.223 0.045 0.000 2.312 348 L HA 0.533 4.873 4.340 0.001 0.000 0.281 348 L C -1.806 175.060 176.870 -0.007 0.000 1.070 348 L CA -2.288 52.568 54.840 0.027 0.000 0.805 348 L CB 0.264 42.330 42.059 0.011 0.000 1.174 348 L HN -0.351 nan 8.230 nan 0.000 0.434 349 P HA -0.026 nan 4.420 nan 0.000 0.263 349 P C -0.861 176.421 177.300 -0.030 0.000 1.175 349 P CA 0.222 63.317 63.100 -0.007 0.000 0.761 349 P CB 0.513 32.210 31.700 -0.005 0.000 0.794 350 S N 3.780 119.461 115.700 -0.031 0.000 2.539 350 S HA 0.483 4.954 4.470 0.001 0.000 0.235 350 S C -2.728 171.847 174.600 -0.042 0.000 1.326 350 S CA -1.649 56.526 58.200 -0.043 0.000 1.183 350 S CB 0.194 63.365 63.200 -0.047 0.000 1.073 350 S HN 0.093 nan 8.310 nan 0.000 0.480 351 P HA 0.763 nan 4.420 nan 0.000 0.278 351 P C 0.338 177.587 177.300 -0.085 0.000 1.258 351 P CA 0.057 63.110 63.100 -0.079 0.000 0.811 351 P CB 1.185 32.812 31.700 -0.121 0.000 1.063 352 G N -0.370 108.368 108.800 -0.104 0.000 2.359 352 G HA2 0.273 4.233 3.960 0.001 0.000 0.293 352 G HA3 0.273 4.233 3.960 0.001 0.000 0.293 352 G C -1.850 172.971 174.900 -0.130 0.000 1.300 352 G CA -0.786 44.253 45.100 -0.101 0.000 0.888 352 G HN 0.690 nan 8.290 nan 0.000 0.541 353 K N -0.197 120.138 120.400 -0.110 0.000 2.159 353 K HA 0.704 5.025 4.320 0.001 0.000 0.266 353 K C -0.396 176.161 176.600 -0.071 0.000 0.975 353 K CA -0.837 55.374 56.287 -0.125 0.000 0.865 353 K CB 1.122 33.561 32.500 -0.101 0.000 1.087 353 K HN 0.384 nan 8.250 nan 0.000 0.446 354 I N 4.417 124.946 120.570 -0.069 0.000 2.352 354 I HA 0.014 4.184 4.170 0.001 0.000 0.290 354 I C 1.487 177.620 176.117 0.027 0.000 1.036 354 I CA -0.233 61.063 61.300 -0.008 0.000 1.336 354 I CB 1.593 39.589 38.000 -0.007 0.000 1.407 354 I HN 0.908 nan 8.210 nan 0.000 0.497 355 T N 3.019 117.600 114.554 0.046 0.000 2.901 355 T HA 0.066 4.416 4.350 0.001 0.000 0.252 355 T C 0.910 175.664 174.700 0.090 0.000 1.035 355 T CA 0.227 62.361 62.100 0.056 0.000 1.142 355 T CB 0.167 69.057 68.868 0.038 0.000 0.869 355 T HN 0.535 nan 8.240 nan 0.000 0.442 356 R N -0.313 120.250 120.500 0.106 0.000 2.628 356 R HA 0.629 4.970 4.340 0.001 0.000 0.288 356 R C -2.228 174.203 176.300 0.218 0.000 0.980 356 R CA -1.105 55.074 56.100 0.131 0.000 0.891 356 R CB 1.710 32.053 30.300 0.071 0.000 1.188 356 R HN 0.352 nan 8.270 nan 0.000 0.450 357 F N 3.004 122.991 119.950 0.061 0.000 2.615 357 F HA 0.432 4.959 4.527 0.001 0.000 0.312 357 F C -1.816 174.047 175.800 0.105 0.000 1.119 357 F CA -0.539 57.497 58.000 0.060 0.000 0.979 357 F CB 1.890 40.928 39.000 0.063 0.000 1.266 357 F HN 0.768 nan 8.300 nan 0.000 0.444 358 H N 3.761 122.178 119.070 -1.089 0.000 3.042 358 H HA 0.736 5.293 4.556 0.001 0.000 0.345 358 H C -1.640 172.983 175.328 -1.176 0.000 1.052 358 H CA -0.174 55.306 56.048 -0.945 0.000 1.311 358 H CB 1.808 31.308 29.762 -0.436 0.000 1.810 358 H HN 0.929 nan 8.280 nan 0.000 0.505 359 A N 5.393 127.343 122.820 -1.450 0.000 2.312 359 A HA 0.611 4.931 4.320 0.001 0.000 0.328 359 A C -2.542 174.579 177.584 -0.772 0.000 1.158 359 A CA -1.654 49.715 52.037 -1.113 0.000 0.821 359 A CB 0.376 18.861 19.000 -0.858 0.000 1.170 359 A HN 0.570 nan 8.150 nan 0.000 0.490 360 P HA 0.486 nan 4.420 nan 0.000 0.282 360 P C 0.111 177.322 177.300 -0.148 0.000 1.249 360 P CA 0.119 63.067 63.100 -0.254 0.000 0.806 360 P CB 1.661 33.260 31.700 -0.169 0.000 0.984 361 G N -0.257 108.500 108.800 -0.071 0.000 3.211 361 G HA2 0.788 4.749 3.960 0.001 0.000 0.262 361 G HA3 0.788 4.749 3.960 0.001 0.000 0.262 361 G C -0.400 174.528 174.900 0.047 0.000 1.352 361 G CA -0.670 44.428 45.100 -0.002 0.000 1.004 361 G HN 0.817 nan 8.290 nan 0.000 0.559 362 G N -2.075 106.776 108.800 0.084 0.000 2.408 362 G HA2 0.371 4.331 3.960 0.001 0.000 0.682 362 G HA3 0.371 4.331 3.960 0.001 0.000 0.682 362 G C -0.943 174.092 174.900 0.226 0.000 1.303 362 G CA -0.452 44.727 45.100 0.131 0.000 0.966 362 G HN 1.238 nan 8.290 nan 0.000 0.560 363 F N 2.070 122.049 119.950 0.049 0.000 2.495 363 F HA 0.494 5.021 4.527 0.000 0.000 0.365 363 F C 1.511 177.366 175.800 0.093 0.000 1.090 363 F CA 0.631 58.670 58.000 0.065 0.000 1.235 363 F CB 0.768 39.805 39.000 0.062 0.000 1.119 363 F HN 2.172 nan 8.300 nan 0.000 0.562 364 G N 4.062 112.856 108.800 -0.011 0.000 2.221 364 G HA2 -0.158 3.803 3.960 0.001 0.000 0.265 364 G HA3 -0.158 3.803 3.960 0.001 0.000 0.265 364 G C -0.774 174.157 174.900 0.052 0.000 1.041 364 G CA 0.241 45.291 45.100 -0.085 0.000 0.807 364 G HN 0.770 nan 8.290 nan 0.000 0.502 365 V N 0.311 120.280 119.914 0.092 0.000 2.409 365 V HA 0.645 4.766 4.120 0.001 0.000 0.291 365 V C 0.488 176.658 176.094 0.128 0.000 1.020 365 V CA -0.814 61.552 62.300 0.110 0.000 0.848 365 V CB 1.779 33.664 31.823 0.104 0.000 0.990 365 V HN 0.470 nan 8.190 nan 0.000 0.430 366 R N 4.903 125.489 120.500 0.144 0.000 2.393 366 R HA 0.323 4.663 4.340 0.001 0.000 0.315 366 R C -1.342 175.106 176.300 0.246 0.000 0.952 366 R CA -0.574 55.615 56.100 0.149 0.000 0.842 366 R CB 1.290 31.634 30.300 0.075 0.000 1.163 366 R HN 0.837 nan 8.270 nan 0.000 0.450 367 W N 6.816 128.136 121.300 0.034 0.000 2.294 367 W HA 0.284 4.945 4.660 0.001 0.000 0.314 367 W C -1.156 175.392 176.519 0.049 0.000 1.044 367 W CA -0.587 56.787 57.345 0.049 0.000 1.284 367 W CB 1.433 30.933 29.460 0.066 0.000 1.231 367 W HN 0.521 nan 8.180 nan 0.000 0.419 368 E N 4.838 124.701 120.200 -0.562 0.000 2.070 368 E HA 0.222 4.572 4.350 0.001 0.000 0.261 368 E C -0.480 175.606 176.600 -0.857 0.000 0.926 368 E CA -0.034 56.034 56.400 -0.552 0.000 0.760 368 E CB 1.596 31.121 29.700 -0.292 0.000 1.133 368 E HN 0.393 nan 8.360 nan 0.000 0.420 369 S N 1.651 116.883 115.700 -0.780 0.000 2.567 369 S HA 0.240 4.710 4.470 0.001 0.000 0.270 369 S C -0.125 174.357 174.600 -0.196 0.000 1.152 369 S CA -0.666 57.219 58.200 -0.525 0.000 0.835 369 S CB 0.525 63.284 63.200 -0.736 0.000 1.115 369 S HN 0.635 nan 8.310 nan 0.000 0.459 370 H N 1.844 120.773 119.070 -0.236 0.000 2.622 370 H HA 0.483 5.039 4.556 0.001 0.000 0.269 370 H C 1.140 176.309 175.328 -0.265 0.000 0.977 370 H CA -0.084 55.853 56.048 -0.185 0.000 1.179 370 H CB -0.263 29.384 29.762 -0.191 0.000 1.458 370 H HN 0.698 nan 8.280 nan 0.000 0.531 371 I N 0.033 120.138 120.570 -0.774 0.000 2.938 371 I HA 0.249 4.420 4.170 0.001 0.000 0.285 371 I C -0.522 175.261 176.117 -0.556 0.000 1.182 371 I CA -0.820 59.993 61.300 -0.812 0.000 1.388 371 I CB 0.577 38.140 38.000 -0.728 0.000 1.390 371 I HN 0.267 nan 8.210 nan 0.000 0.600 372 Y N 2.564 122.595 120.300 -0.448 0.000 2.900 372 Y HA 0.786 5.337 4.550 0.001 0.000 0.318 372 Y C -0.883 175.037 175.900 0.033 0.000 1.457 372 Y CA -1.416 56.590 58.100 -0.157 0.000 1.082 372 Y CB 0.408 38.877 38.460 0.015 0.000 1.419 372 Y HN 0.757 nan 8.280 nan 0.000 0.459 373 A N 0.412 123.479 122.820 0.412 0.000 2.301 373 A HA 0.561 4.881 4.320 0.001 0.000 0.298 373 A C 0.997 178.737 177.584 0.260 0.000 1.185 373 A CA -0.033 52.170 52.037 0.276 0.000 0.830 373 A CB -0.714 18.458 19.000 0.287 0.000 1.112 373 A HN 2.246 nan 8.150 nan 0.000 0.508 374 G N 0.327 109.194 108.800 0.111 0.000 2.132 374 G HA2 -0.223 3.738 3.960 0.001 0.000 0.228 374 G HA3 -0.223 3.738 3.960 0.001 0.000 0.228 374 G C -0.146 174.769 174.900 0.025 0.000 1.000 374 G CA 0.414 45.570 45.100 0.093 0.000 0.693 374 G HN 1.513 nan 8.290 nan 0.000 0.515 375 Y N 1.774 121.886 120.300 -0.313 0.000 2.308 375 Y HA 0.619 5.170 4.550 0.001 0.000 0.329 375 Y C 0.331 176.088 175.900 -0.238 0.000 1.111 375 Y CA -0.116 57.681 58.100 -0.505 0.000 1.179 375 Y CB 1.453 39.305 38.460 -1.014 0.000 1.201 375 Y HN 0.076 nan 8.280 nan 0.000 0.483 376 T N 6.592 120.457 114.554 -1.147 0.000 2.770 376 T HA 0.334 4.684 4.350 0.001 0.000 0.297 376 T C -0.795 173.303 174.700 -1.003 0.000 0.997 376 T CA -0.575 61.044 62.100 -0.801 0.000 0.949 376 T CB 0.409 69.044 68.868 -0.387 0.000 0.941 376 T HN 0.451 nan 8.240 nan 0.000 0.457 377 V N 8.117 127.700 119.914 -0.552 0.000 2.427 377 V HA 0.246 4.366 4.120 0.001 0.000 0.268 377 V C -1.699 174.313 176.094 -0.137 0.000 1.046 377 V CA -1.506 60.663 62.300 -0.219 0.000 0.970 377 V CB 0.325 32.114 31.823 -0.055 0.000 1.001 377 V HN 0.685 nan 8.190 nan 0.000 0.476 378 P HA 0.367 nan 4.420 nan 0.000 0.278 378 P C -2.348 174.825 177.300 -0.212 0.000 1.258 378 P CA -2.015 61.020 63.100 -0.109 0.000 0.811 378 P CB 0.908 32.669 31.700 0.102 0.000 1.063 379 P HA 0.021 nan 4.420 nan 0.000 0.240 379 P C 1.055 178.033 177.300 -0.536 0.000 1.190 379 P CA 0.949 63.750 63.100 -0.498 0.000 0.781 379 P CB -0.144 31.208 31.700 -0.581 0.000 0.931 380 Y N -0.775 119.298 120.300 -0.379 0.000 2.200 380 Y HA -0.109 4.442 4.550 0.001 0.000 0.290 380 Y C 1.437 176.975 175.900 -0.604 0.000 1.137 380 Y CA 0.721 58.417 58.100 -0.673 0.000 1.163 380 Y CB -0.999 36.736 38.460 -1.209 0.000 0.988 380 Y HN -0.062 nan 8.280 nan 0.000 0.518 381 Y N -0.034 120.413 120.300 0.244 0.000 2.719 381 Y HA 0.211 4.762 4.550 0.001 0.000 0.335 381 Y C 0.661 176.630 175.900 0.115 0.000 1.198 381 Y CA -1.872 56.348 58.100 0.200 0.000 1.274 381 Y CB -0.226 38.373 38.460 0.231 0.000 1.500 381 Y HN -0.088 nan 8.280 nan 0.000 0.616 382 D N -0.314 120.251 120.400 0.276 0.000 2.300 382 D HA -0.087 4.553 4.640 0.001 0.000 0.235 382 D C 0.959 177.339 176.300 0.134 0.000 1.338 382 D CA 0.607 54.696 54.000 0.147 0.000 0.903 382 D CB 0.344 41.196 40.800 0.087 0.000 1.180 382 D HN 0.572 nan 8.370 nan 0.000 0.485 383 S N -1.202 114.554 115.700 0.093 0.000 2.503 383 S HA 0.005 4.476 4.470 0.001 0.000 0.217 383 S C 1.133 175.789 174.600 0.093 0.000 0.999 383 S CA -0.504 57.745 58.200 0.082 0.000 0.914 383 S CB -0.305 62.930 63.200 0.059 0.000 0.782 383 S HN 0.559 nan 8.310 nan 0.000 0.520 384 M N 3.006 122.665 119.600 0.098 0.000 2.217 384 M HA 0.327 4.808 4.480 0.001 0.000 0.352 384 M C 0.641 177.029 176.300 0.146 0.000 1.376 384 M CA -0.088 55.271 55.300 0.099 0.000 1.107 384 M CB 0.526 33.173 32.600 0.077 0.000 1.723 384 M HN 0.478 nan 8.290 nan 0.000 0.461 385 I N 1.352 121.985 120.570 0.105 0.000 4.181 385 I HA 0.600 4.771 4.170 0.001 0.000 0.331 385 I C 0.503 176.583 176.117 -0.062 0.000 1.312 385 I CA -0.207 61.125 61.300 0.053 0.000 1.146 385 I CB 0.412 38.410 38.000 -0.003 0.000 1.074 385 I HN 0.675 nan 8.210 nan 0.000 0.402 386 G N 1.120 109.888 108.800 -0.053 0.000 2.523 386 G HA2 0.543 4.503 3.960 0.001 0.000 0.291 386 G HA3 0.543 4.503 3.960 0.001 0.000 0.291 386 G C -2.007 172.766 174.900 -0.212 0.000 1.450 386 G CA -0.795 44.117 45.100 -0.314 0.000 0.790 386 G HN 0.029 nan 8.290 nan 0.000 0.496 387 K N -0.301 119.865 120.400 -0.390 0.000 2.426 387 K HA 0.603 4.923 4.320 0.001 0.000 0.254 387 K C -1.336 175.251 176.600 -0.022 0.000 0.936 387 K CA -0.649 55.553 56.287 -0.143 0.000 0.801 387 K CB 2.551 34.967 32.500 -0.139 0.000 1.139 387 K HN 0.337 nan 8.250 nan 0.000 0.424 388 L N 5.357 126.693 121.223 0.189 0.000 2.318 388 L HA 0.548 4.889 4.340 0.001 0.000 0.277 388 L C -1.608 175.371 176.870 0.180 0.000 1.008 388 L CA -0.356 54.681 54.840 0.330 0.000 0.846 388 L CB 0.632 42.927 42.059 0.393 0.000 1.220 388 L HN 0.567 nan 8.230 nan 0.000 0.423 389 I N 4.738 125.402 120.570 0.156 0.000 2.378 389 I HA 0.462 4.632 4.170 0.001 0.000 0.291 389 I C -0.678 175.512 176.117 0.121 0.000 0.992 389 I CA -0.220 61.145 61.300 0.107 0.000 1.154 389 I CB 1.483 39.516 38.000 0.055 0.000 1.315 389 I HN 0.502 nan 8.210 nan 0.000 0.448 390 C N 5.112 124.484 119.300 0.120 0.000 2.417 390 C HA 0.563 5.024 4.460 0.001 0.000 0.324 390 C C -0.360 174.713 174.990 0.139 0.000 1.240 390 C CA -0.948 58.140 59.018 0.117 0.000 1.632 390 C CB 0.864 28.659 27.740 0.091 0.000 2.241 390 C HN 0.681 nan 8.230 nan 0.000 0.499 391 Y N 0.922 121.201 120.300 -0.036 0.000 2.528 391 Y HA 0.806 5.357 4.550 0.001 0.000 0.335 391 Y C 0.214 176.052 175.900 -0.102 0.000 1.093 391 Y CA 0.180 58.243 58.100 -0.062 0.000 1.134 391 Y CB 1.808 40.215 38.460 -0.089 0.000 1.253 391 Y HN 0.908 nan 8.280 nan 0.000 0.478 392 G N 2.816 111.088 108.800 -0.881 0.000 2.703 392 G HA2 0.197 4.157 3.960 0.001 0.000 0.294 392 G HA3 0.197 4.157 3.960 0.001 0.000 0.294 392 G C -0.491 173.980 174.900 -0.715 0.000 1.451 392 G CA -0.521 44.209 45.100 -0.617 0.000 0.869 392 G HN 0.651 nan 8.290 nan 0.000 0.516 393 E N 0.091 120.080 120.200 -0.350 0.000 2.273 393 E HA -0.159 4.192 4.350 0.001 0.000 0.198 393 E C 0.564 177.061 176.600 -0.172 0.000 1.002 393 E CA 1.555 57.837 56.400 -0.196 0.000 0.828 393 E CB -0.219 29.450 29.700 -0.052 0.000 0.747 393 E HN 0.610 nan 8.360 nan 0.000 0.491 394 N N -1.506 117.081 118.700 -0.188 0.000 2.934 394 N HA 0.180 4.920 4.740 0.001 0.000 0.253 394 N C 0.204 175.601 175.510 -0.190 0.000 1.466 394 N CA -0.713 52.246 53.050 -0.152 0.000 0.858 394 N CB 1.151 39.563 38.487 -0.126 0.000 1.459 394 N HN -0.168 nan 8.380 nan 0.000 0.532 395 R N -0.509 119.807 120.500 -0.307 0.000 2.080 395 R HA -0.111 4.230 4.340 0.001 0.000 0.236 395 R C 0.292 176.428 176.300 -0.275 0.000 1.137 395 R CA 2.017 57.816 56.100 -0.502 0.000 0.943 395 R CB -0.534 29.307 30.300 -0.764 0.000 0.846 395 R HN 0.662 nan 8.270 nan 0.000 0.431 396 D N -0.307 119.960 120.400 -0.223 0.000 2.221 396 D HA -0.126 4.514 4.640 0.001 0.000 0.204 396 D C 1.761 178.006 176.300 -0.091 0.000 0.982 396 D CA 0.918 54.833 54.000 -0.142 0.000 0.857 396 D CB 0.082 40.812 40.800 -0.116 0.000 0.934 396 D HN 0.125 nan 8.370 nan 0.000 0.475 397 V N 0.715 120.567 119.914 -0.103 0.000 2.407 397 V HA -0.114 4.006 4.120 0.001 0.000 0.245 397 V C 2.448 178.504 176.094 -0.062 0.000 1.041 397 V CA 1.419 63.673 62.300 -0.077 0.000 1.040 397 V CB -0.494 31.267 31.823 -0.103 0.000 0.671 397 V HN 0.165 nan 8.190 nan 0.000 0.455 398 A N 0.268 123.041 122.820 -0.079 0.000 1.908 398 A HA -0.173 4.147 4.320 0.001 0.000 0.218 398 A C 2.158 179.762 177.584 0.035 0.000 1.181 398 A CA 1.786 53.809 52.037 -0.025 0.000 0.627 398 A CB -0.465 18.551 19.000 0.027 0.000 0.818 398 A HN 0.444 nan 8.150 nan 0.000 0.445 399 I N -0.293 120.296 120.570 0.031 0.000 2.142 399 I HA -0.275 3.895 4.170 0.001 0.000 0.240 399 I C 3.040 179.203 176.117 0.076 0.000 1.078 399 I CA 1.409 62.763 61.300 0.090 0.000 1.343 399 I CB -1.280 36.758 38.000 0.063 0.000 1.046 399 I HN 0.386 nan 8.210 nan 0.000 0.405 400 A N 1.094 123.937 122.820 0.038 0.000 1.873 400 A HA -0.250 4.071 4.320 0.001 0.000 0.218 400 A C 2.472 180.080 177.584 0.040 0.000 1.193 400 A CA 1.772 53.829 52.037 0.034 0.000 0.629 400 A CB -0.762 18.247 19.000 0.016 0.000 0.826 400 A HN 0.328 nan 8.150 nan 0.000 0.447 401 R N -1.871 118.650 120.500 0.035 0.000 2.091 401 R HA -0.179 4.162 4.340 0.001 0.000 0.238 401 R C 2.237 178.569 176.300 0.054 0.000 1.136 401 R CA 1.841 57.966 56.100 0.042 0.000 0.959 401 R CB -0.386 29.934 30.300 0.032 0.000 0.856 401 R HN 0.619 nan 8.270 nan 0.000 0.437 402 M N 1.080 120.720 119.600 0.067 0.000 2.213 402 M HA -0.135 4.346 4.480 0.001 0.000 0.263 402 M C 1.616 177.955 176.300 0.065 0.000 1.062 402 M CA 1.765 57.112 55.300 0.079 0.000 1.105 402 M CB 0.101 32.764 32.600 0.105 0.000 1.385 402 M HN -0.141 nan 8.290 nan 0.000 0.417 403 K N 0.008 120.445 120.400 0.063 0.000 2.001 403 K HA -0.068 4.252 4.320 0.001 0.000 0.208 403 K C 1.603 178.225 176.600 0.036 0.000 1.048 403 K CA 2.156 58.474 56.287 0.051 0.000 0.932 403 K CB -0.357 32.174 32.500 0.053 0.000 0.715 403 K HN 0.563 nan 8.250 nan 0.000 0.437 404 N N 0.673 119.395 118.700 0.035 0.000 2.069 404 N HA -0.219 4.522 4.740 0.001 0.000 0.191 404 N C 1.901 177.422 175.510 0.018 0.000 1.031 404 N CA 1.106 54.171 53.050 0.026 0.000 0.852 404 N CB -0.270 38.236 38.487 0.031 0.000 1.018 404 N HN 0.159 nan 8.380 nan 0.000 0.423 405 A N 1.746 124.581 122.820 0.024 0.000 1.883 405 A HA -0.106 4.214 4.320 0.001 0.000 0.217 405 A C 2.166 179.743 177.584 -0.011 0.000 1.186 405 A CA 1.160 53.201 52.037 0.008 0.000 0.624 405 A CB -0.957 18.061 19.000 0.030 0.000 0.822 405 A HN 0.222 nan 8.150 nan 0.000 0.444 406 L N -0.754 120.477 121.223 0.013 0.000 2.349 406 L HA -0.264 4.076 4.340 0.001 0.000 0.220 406 L C 2.641 179.506 176.870 -0.008 0.000 1.130 406 L CA 1.378 56.223 54.840 0.008 0.000 0.791 406 L CB -0.498 41.576 42.059 0.026 0.000 0.918 406 L HN 0.572 nan 8.230 nan 0.000 0.444 407 Q N -0.699 119.096 119.800 -0.008 0.000 2.297 407 Q HA -0.064 4.276 4.340 0.001 0.000 0.203 407 Q C 1.712 177.698 176.000 -0.024 0.000 0.931 407 Q CA 0.479 56.276 55.803 -0.012 0.000 0.885 407 Q CB 0.137 28.874 28.738 -0.002 0.000 0.991 407 Q HN 0.513 nan 8.270 nan 0.000 0.498 408 E N 0.815 120.998 120.200 -0.028 0.000 2.347 408 E HA -0.070 4.280 4.350 0.001 0.000 0.196 408 E C 0.077 176.650 176.600 -0.045 0.000 1.008 408 E CA -0.021 56.365 56.400 -0.023 0.000 0.852 408 E CB 0.128 29.820 29.700 -0.013 0.000 0.783 408 E HN 0.094 nan 8.360 nan 0.000 0.505 409 L N 1.680 122.847 121.223 -0.092 0.000 2.418 409 L HA 0.167 4.507 4.340 0.001 0.000 0.274 409 L C -0.623 176.189 176.870 -0.098 0.000 1.135 409 L CA 0.523 55.267 54.840 -0.160 0.000 0.870 409 L CB 0.389 42.325 42.059 -0.206 0.000 1.154 409 L HN -0.120 nan 8.230 nan 0.000 0.462 410 I N 6.637 127.132 120.570 -0.125 0.000 2.439 410 I HA 0.388 4.559 4.170 0.001 0.000 0.285 410 I C -0.742 175.410 176.117 0.058 0.000 1.021 410 I CA -0.028 61.248 61.300 -0.041 0.000 1.091 410 I CB 1.449 39.422 38.000 -0.044 0.000 1.242 410 I HN 0.493 nan 8.210 nan 0.000 0.439 411 I N 5.993 126.633 120.570 0.117 0.000 2.521 411 I HA 0.291 4.461 4.170 0.001 0.000 0.277 411 I C -1.147 175.033 176.117 0.105 0.000 1.054 411 I CA -0.388 61.030 61.300 0.197 0.000 1.117 411 I CB 1.052 39.165 38.000 0.188 0.000 1.217 411 I HN 0.399 nan 8.210 nan 0.000 0.469 412 D N 3.768 124.227 120.400 0.099 0.000 2.217 412 D HA 0.655 5.296 4.640 0.001 0.000 0.248 412 D C 0.938 177.265 176.300 0.044 0.000 1.008 412 D CA 0.270 54.303 54.000 0.055 0.000 0.914 412 D CB 2.070 42.897 40.800 0.045 0.000 1.182 412 D HN 0.726 nan 8.370 nan 0.000 0.451 413 G N 0.083 108.895 108.800 0.020 0.000 2.179 413 G HA2 -0.150 3.810 3.960 0.001 0.000 0.220 413 G HA3 -0.150 3.810 3.960 0.001 0.000 0.220 413 G C 0.263 175.158 174.900 -0.009 0.000 0.990 413 G CA 0.352 45.454 45.100 0.004 0.000 0.646 413 G HN 0.617 nan 8.290 nan 0.000 0.517 414 I N -4.039 116.529 120.570 -0.003 0.000 3.229 414 I HA 0.700 4.871 4.170 0.001 0.000 0.313 414 I C -0.894 175.216 176.117 -0.011 0.000 1.317 414 I CA -1.699 59.594 61.300 -0.013 0.000 0.940 414 I CB 1.323 39.315 38.000 -0.015 0.000 1.315 414 I HN -0.097 nan 8.210 nan 0.000 0.484 415 K N 1.635 122.022 120.400 -0.023 0.000 2.172 415 K HA 0.650 4.970 4.320 0.001 0.000 0.276 415 K C -0.500 176.086 176.600 -0.023 0.000 1.013 415 K CA -0.374 55.894 56.287 -0.032 0.000 0.913 415 K CB 1.750 34.216 32.500 -0.057 0.000 1.055 415 K HN 0.813 nan 8.250 nan 0.000 0.461 416 T N -1.793 112.750 114.554 -0.019 0.000 2.901 416 T HA 0.217 4.567 4.350 0.001 0.000 0.293 416 T C 0.484 175.172 174.700 -0.020 0.000 1.084 416 T CA -1.072 61.028 62.100 -0.000 0.000 1.008 416 T CB 1.019 69.909 68.868 0.037 0.000 1.170 416 T HN 0.582 nan 8.240 nan 0.000 0.509 417 N N 0.559 119.262 118.700 0.004 0.000 2.461 417 N HA -0.015 4.726 4.740 0.001 0.000 0.188 417 N C 1.498 177.025 175.510 0.029 0.000 1.134 417 N CA -0.016 53.040 53.050 0.010 0.000 0.878 417 N CB -0.638 37.882 38.487 0.055 0.000 0.972 417 N HN 0.377 nan 8.380 nan 0.000 0.456 418 V N 1.719 121.652 119.914 0.032 0.000 2.278 418 V HA -0.286 3.834 4.120 0.001 0.000 0.251 418 V C 2.034 178.141 176.094 0.022 0.000 1.062 418 V CA 2.077 64.399 62.300 0.036 0.000 1.038 418 V CB -0.474 31.370 31.823 0.035 0.000 0.646 418 V HN 0.339 nan 8.190 nan 0.000 0.447 419 D N -0.463 119.943 120.400 0.010 0.000 2.133 419 D HA -0.206 4.434 4.640 0.001 0.000 0.195 419 D C 2.067 178.376 176.300 0.015 0.000 0.997 419 D CA 1.746 55.751 54.000 0.008 0.000 0.840 419 D CB -0.075 40.724 40.800 -0.003 0.000 0.947 419 D HN 0.377 nan 8.370 nan 0.000 0.452 420 L N 1.463 122.700 121.223 0.023 0.000 1.989 420 L HA -0.218 4.123 4.340 0.001 0.000 0.211 420 L C 2.279 179.158 176.870 0.016 0.000 1.071 420 L CA 1.690 56.555 54.840 0.041 0.000 0.749 420 L CB -0.611 41.501 42.059 0.089 0.000 0.890 420 L HN -0.092 nan 8.230 nan 0.000 0.431 421 Q N -0.123 119.686 119.800 0.014 0.000 2.077 421 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 421 Q C 2.388 178.375 176.000 -0.022 0.000 0.989 421 Q CA 2.457 58.254 55.803 -0.010 0.000 0.853 421 Q CB -0.573 28.176 28.738 0.018 0.000 0.907 421 Q HN 0.629 nan 8.270 nan 0.000 0.418 422 I N 0.441 121.013 120.570 0.003 0.000 2.127 422 I HA -0.315 3.856 4.170 0.001 0.000 0.241 422 I C 2.586 178.709 176.117 0.009 0.000 1.075 422 I CA 1.293 62.599 61.300 0.011 0.000 1.334 422 I CB -0.257 37.754 38.000 0.018 0.000 1.040 422 I HN 0.153 nan 8.210 nan 0.000 0.405 423 R N 0.420 120.927 120.500 0.011 0.000 2.103 423 R HA -0.191 4.149 4.340 0.001 0.000 0.242 423 R C 2.285 178.593 176.300 0.013 0.000 1.142 423 R CA 1.604 57.717 56.100 0.021 0.000 0.960 423 R CB -0.473 29.843 30.300 0.027 0.000 0.858 423 R HN 0.399 nan 8.270 nan 0.000 0.439 424 I N 0.058 120.598 120.570 -0.049 0.000 2.353 424 I HA -0.234 3.936 4.170 0.001 0.000 0.248 424 I C 2.190 178.183 176.117 -0.207 0.000 1.119 424 I CA 0.741 61.949 61.300 -0.154 0.000 1.417 424 I CB -0.125 37.693 38.000 -0.304 0.000 1.078 424 I HN 0.152 nan 8.210 nan 0.000 0.421 425 M N 0.216 119.739 119.600 -0.128 0.000 2.202 425 M HA -0.227 4.254 4.480 0.001 0.000 0.262 425 M C 1.611 178.018 176.300 0.179 0.000 1.063 425 M CA 1.858 57.184 55.300 0.043 0.000 1.097 425 M CB -1.583 31.050 32.600 0.055 0.000 1.382 425 M HN 0.264 nan 8.290 nan 0.000 0.413 426 N N -0.031 118.735 118.700 0.110 0.000 2.467 426 N HA -0.051 4.689 4.740 0.001 0.000 0.184 426 N C -0.138 175.464 175.510 0.153 0.000 1.106 426 N CA -0.016 53.106 53.050 0.119 0.000 0.892 426 N CB 0.029 38.562 38.487 0.077 0.000 0.969 426 N HN 0.296 nan 8.380 nan 0.000 0.454 427 D N 0.394 120.912 120.400 0.195 0.000 2.426 427 D HA -0.045 4.595 4.640 0.001 0.000 0.261 427 D C 0.841 177.285 176.300 0.240 0.000 1.245 427 D CA 0.166 54.312 54.000 0.244 0.000 0.917 427 D CB 0.609 41.602 40.800 0.322 0.000 1.123 427 D HN 0.050 nan 8.370 nan 0.000 0.508 428 E N 2.354 122.651 120.200 0.163 0.000 2.160 428 E HA -0.204 4.146 4.350 0.001 0.000 0.195 428 E C 1.294 177.945 176.600 0.084 0.000 0.991 428 E CA 0.986 57.452 56.400 0.109 0.000 0.810 428 E CB 0.122 29.868 29.700 0.076 0.000 0.742 428 E HN 0.480 nan 8.360 nan 0.000 0.466 429 N N -0.624 118.119 118.700 0.071 0.000 2.142 429 N HA -0.141 4.599 4.740 0.001 0.000 0.186 429 N C 1.627 177.110 175.510 -0.046 0.000 1.023 429 N CA 0.792 53.799 53.050 -0.072 0.000 0.852 429 N CB -0.328 37.926 38.487 -0.389 0.000 0.998 429 N HN 0.206 nan 8.380 nan 0.000 0.424 430 F N 1.975 121.864 119.950 -0.102 0.000 2.146 430 F HA -0.175 4.352 4.527 0.001 0.000 0.298 430 F C 2.494 178.284 175.800 -0.017 0.000 1.096 430 F CA 1.207 59.179 58.000 -0.047 0.000 1.275 430 F CB 0.034 39.053 39.000 0.030 0.000 1.008 430 F HN -0.029 nan 8.300 nan 0.000 0.480 431 Q N -0.693 119.079 119.800 -0.046 0.000 2.096 431 Q HA -0.275 4.065 4.340 0.001 0.000 0.204 431 Q C 2.044 177.931 176.000 -0.188 0.000 0.982 431 Q CA 2.162 57.879 55.803 -0.143 0.000 0.850 431 Q CB -0.405 28.336 28.738 0.006 0.000 0.901 431 Q HN 0.655 nan 8.270 nan 0.000 0.422 432 H N -1.076 117.886 119.070 -0.179 0.000 2.326 432 H HA 0.077 4.633 4.556 0.001 0.000 0.301 432 H C 0.803 176.005 175.328 -0.209 0.000 1.081 432 H CA 1.597 57.550 56.048 -0.159 0.000 1.334 432 H CB -0.169 29.527 29.762 -0.110 0.000 1.385 432 H HN 0.300 nan 8.280 nan 0.000 0.504 433 G N -2.167 106.499 108.800 -0.223 0.000 2.610 433 G HA2 0.148 4.108 3.960 0.001 0.000 0.304 433 G HA3 0.148 4.108 3.960 0.001 0.000 0.304 433 G C 0.796 175.616 174.900 -0.134 0.000 1.309 433 G CA 0.228 45.159 45.100 -0.281 0.000 0.906 433 G HN 1.331 nan 8.290 nan 0.000 0.521 434 G N -1.544 107.196 108.800 -0.101 0.000 2.225 434 G HA2 0.175 4.135 3.960 0.001 0.000 0.267 434 G HA3 0.175 4.135 3.960 0.001 0.000 0.267 434 G C 0.950 175.867 174.900 0.028 0.000 1.024 434 G CA 1.722 46.810 45.100 -0.019 0.000 0.784 434 G HN 2.756 nan 8.290 nan 0.000 0.507 435 T N -1.121 113.443 114.554 0.015 0.000 2.898 435 T HA 0.490 4.840 4.350 0.001 0.000 0.301 435 T C 0.673 175.430 174.700 0.095 0.000 1.049 435 T CA 0.027 62.135 62.100 0.014 0.000 1.095 435 T CB 1.472 70.300 68.868 -0.066 0.000 0.976 435 T HN 0.895 nan 8.240 nan 0.000 0.539 436 N N 1.429 120.201 118.700 0.120 0.000 2.463 436 N HA 0.158 4.898 4.740 0.001 0.000 0.270 436 N C 1.147 176.706 175.510 0.082 0.000 1.205 436 N CA -1.174 51.934 53.050 0.098 0.000 0.974 436 N CB 0.085 38.618 38.487 0.077 0.000 1.197 436 N HN 0.859 nan 8.380 nan 0.000 0.504 437 I N -3.474 117.062 120.570 -0.057 0.000 3.164 437 I HA -0.059 4.111 4.170 0.001 0.000 0.278 437 I C 0.319 176.370 176.117 -0.110 0.000 1.320 437 I CA 1.008 62.251 61.300 -0.096 0.000 1.422 437 I CB -0.451 37.459 38.000 -0.150 0.000 1.066 437 I HN 0.398 nan 8.210 nan 0.000 0.503 438 H N -0.945 118.211 119.070 0.144 0.000 2.648 438 H HA 0.067 4.623 4.556 0.001 0.000 0.265 438 H C 1.539 176.934 175.328 0.113 0.000 0.961 438 H CA 0.301 56.416 56.048 0.111 0.000 1.185 438 H CB -0.294 29.526 29.762 0.098 0.000 1.449 438 H HN 0.421 nan 8.280 nan 0.000 0.523 439 Y N 1.675 122.064 120.300 0.147 0.000 2.053 439 Y HA -0.293 4.257 4.550 0.001 0.000 0.277 439 Y C 2.390 178.339 175.900 0.082 0.000 1.159 439 Y CA 1.515 59.682 58.100 0.111 0.000 1.125 439 Y CB -0.523 38.002 38.460 0.109 0.000 0.969 439 Y HN 0.098 nan 8.280 nan 0.000 0.492 440 L N 0.719 121.966 121.223 0.041 0.000 1.971 440 L HA -0.252 4.088 4.340 0.001 0.000 0.215 440 L C 2.317 179.105 176.870 -0.138 0.000 1.072 440 L CA 2.368 57.157 54.840 -0.084 0.000 0.758 440 L CB -1.134 40.924 42.059 -0.002 0.000 0.889 440 L HN 0.355 nan 8.230 nan 0.000 0.433 441 E N -0.470 119.695 120.200 -0.059 0.000 2.048 441 E HA -0.338 4.013 4.350 0.001 0.000 0.202 441 E C 2.141 178.685 176.600 -0.093 0.000 1.021 441 E CA 2.279 58.640 56.400 -0.065 0.000 0.825 441 E CB -0.262 29.440 29.700 0.004 0.000 0.756 441 E HN 0.601 nan 8.360 nan 0.000 0.454 442 K N 1.167 121.514 120.400 -0.089 0.000 2.097 442 K HA -0.239 4.082 4.320 0.001 0.000 0.206 442 K C 2.109 178.607 176.600 -0.169 0.000 1.049 442 K CA 1.892 58.115 56.287 -0.107 0.000 0.933 442 K CB -0.198 32.267 32.500 -0.057 0.000 0.717 442 K HN -0.014 nan 8.250 nan 0.000 0.442 443 K N 0.632 120.843 120.400 -0.315 0.000 2.097 443 K HA -0.089 4.231 4.320 0.001 0.000 0.205 443 K C 1.720 178.223 176.600 -0.161 0.000 1.050 443 K CA 0.701 56.801 56.287 -0.312 0.000 0.938 443 K CB -0.030 32.158 32.500 -0.520 0.000 0.718 443 K HN 0.080 nan 8.250 nan 0.000 0.442 444 L N 1.504 122.640 121.223 -0.146 0.000 2.642 444 L HA 0.044 4.384 4.340 0.001 0.000 0.236 444 L C 1.119 177.959 176.870 -0.051 0.000 1.169 444 L CA 1.803 56.597 54.840 -0.078 0.000 0.851 444 L CB -0.908 41.089 42.059 -0.103 0.000 0.968 444 L HN 0.620 nan 8.230 nan 0.000 0.453 445 G N -0.444 108.318 108.800 -0.063 0.000 2.198 445 G HA2 -0.320 3.640 3.960 0.001 0.000 0.260 445 G HA3 -0.320 3.640 3.960 0.001 0.000 0.260 445 G C 0.327 175.205 174.900 -0.037 0.000 1.025 445 G CA 0.412 45.489 45.100 -0.039 0.000 0.769 445 G HN 0.329 nan 8.290 nan 0.000 0.507 446 L N -0.257 120.932 121.223 -0.057 0.000 2.349 446 L HA 0.568 4.908 4.340 0.001 0.000 0.275 446 L C 0.797 177.640 176.870 -0.046 0.000 1.115 446 L CA -0.281 54.525 54.840 -0.058 0.000 0.820 446 L CB 0.921 42.929 42.059 -0.085 0.000 1.135 446 L HN 0.438 nan 8.230 nan 0.000 0.445 447 Q N 0.000 119.777 119.800 -0.038 0.000 2.315 447 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 447 Q CA 0.000 55.784 55.803 -0.032 0.000 1.022 447 Q CB 0.000 28.724 28.738 -0.024 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481