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 2qw0_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVX XQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSXXXGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNAYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVS 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 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 Q N 2.348 122.183 119.800 0.058 0.000 2.401 2 Q HA 0.459 4.799 4.340 -0.001 0.000 0.260 2 Q C -0.877 175.182 176.000 0.099 0.000 1.034 2 Q CA -0.442 55.404 55.803 0.071 0.000 0.737 2 Q CB 1.888 30.663 28.738 0.061 0.000 1.227 2 Q HN 0.866 nan 8.270 nan 0.000 0.488 3 T N -1.694 112.940 114.554 0.133 0.000 2.766 3 T HA 0.120 4.470 4.350 -0.001 0.000 0.295 3 T C 1.510 176.363 174.700 0.254 0.000 1.024 3 T CA -0.694 61.535 62.100 0.214 0.000 1.018 3 T CB 0.864 69.888 68.868 0.261 0.000 1.002 3 T HN 0.296 nan 8.240 nan 0.000 0.532 4 V N 1.747 121.870 119.914 0.348 0.000 2.231 4 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 4 V C 2.867 179.162 176.094 0.336 0.000 1.054 4 V CA 2.566 65.040 62.300 0.289 0.000 1.015 4 V CB -1.394 30.559 31.823 0.218 0.000 0.638 4 V HN 1.018 nan 8.190 nan 0.000 0.444 5 N N -0.173 118.858 118.700 0.552 0.000 2.061 5 N HA -0.219 4.520 4.740 -0.001 0.000 0.193 5 N C 1.867 177.478 175.510 0.168 0.000 1.030 5 N CA 1.667 54.897 53.050 0.300 0.000 0.856 5 N CB -0.162 38.369 38.487 0.072 0.000 1.023 5 N HN 0.398 nan 8.380 nan 0.000 0.424 6 E N 0.073 120.366 120.200 0.155 0.000 2.077 6 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 6 E C 2.032 178.690 176.600 0.096 0.000 0.989 6 E CA 0.925 57.386 56.400 0.103 0.000 0.800 6 E CB -0.264 29.490 29.700 0.089 0.000 0.746 6 E HN 0.563 nan 8.360 nan 0.000 0.452 7 M N 0.030 119.695 119.600 0.109 0.000 2.149 7 M HA -0.164 4.316 4.480 -0.001 0.000 0.261 7 M C 2.268 178.622 176.300 0.089 0.000 1.064 7 M CA 1.247 56.599 55.300 0.086 0.000 1.102 7 M CB -0.192 32.454 32.600 0.075 0.000 1.369 7 M HN 0.073 nan 8.290 nan 0.000 0.408 8 L N -1.420 119.865 121.223 0.104 0.000 2.179 8 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 8 L C 2.571 179.512 176.870 0.118 0.000 1.096 8 L CA 0.700 55.608 54.840 0.113 0.000 0.779 8 L CB -0.697 41.423 42.059 0.101 0.000 0.922 8 L HN 0.290 nan 8.230 nan 0.000 0.443 9 R N 0.840 121.399 120.500 0.097 0.000 2.073 9 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 9 R C 2.498 178.839 176.300 0.069 0.000 1.134 9 R CA 1.467 57.614 56.100 0.078 0.000 0.952 9 R CB -0.012 30.324 30.300 0.060 0.000 0.850 9 R HN 0.294 nan 8.270 nan 0.000 0.433 10 R N -0.212 120.325 120.500 0.062 0.000 2.075 10 R HA -0.035 4.304 4.340 -0.001 0.000 0.232 10 R C 2.368 178.690 176.300 0.037 0.000 1.126 10 R CA 1.158 57.283 56.100 0.042 0.000 0.963 10 R CB -0.339 29.983 30.300 0.035 0.000 0.858 10 R HN 0.230 nan 8.270 nan 0.000 0.435 11 A N 1.770 124.622 122.820 0.053 0.000 1.865 11 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 11 A C 2.458 180.019 177.584 -0.039 0.000 1.191 11 A CA 1.856 53.900 52.037 0.011 0.000 0.623 11 A CB -0.885 18.158 19.000 0.072 0.000 0.826 11 A HN 0.390 nan 8.150 nan 0.000 0.444 12 A N -0.468 122.406 122.820 0.090 0.000 1.948 12 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 12 A C 2.446 180.057 177.584 0.044 0.000 1.177 12 A CA 2.895 54.998 52.037 0.110 0.000 0.636 12 A CB -1.486 17.599 19.000 0.143 0.000 0.815 12 A HN 0.920 nan 8.150 nan 0.000 0.449 13 T N -2.611 111.961 114.554 0.030 0.000 2.904 13 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 13 T C 1.879 176.580 174.700 0.002 0.000 1.059 13 T CA 1.199 63.310 62.100 0.018 0.000 1.137 13 T CB -0.300 68.578 68.868 0.017 0.000 0.879 13 T HN 0.565 nan 8.240 nan 0.000 0.467 14 R N 1.162 121.654 120.500 -0.013 0.000 2.161 14 R HA 0.404 4.743 4.340 -0.001 0.000 0.213 14 R C 1.299 177.576 176.300 -0.038 0.000 1.055 14 R CA 0.854 56.944 56.100 -0.016 0.000 0.996 14 R CB 0.138 30.441 30.300 0.005 0.000 0.901 14 R HN 0.457 nan 8.270 nan 0.000 0.456 15 A N 1.002 123.768 122.820 -0.088 0.000 3.234 15 A HA 0.275 4.595 4.320 -0.001 0.000 0.247 15 A C -2.076 175.501 177.584 -0.012 0.000 0.938 15 A CA -0.961 51.017 52.037 -0.098 0.000 1.039 15 A CB 0.549 19.400 19.000 -0.247 0.000 1.197 15 A HN -0.061 nan 8.150 nan 0.000 0.498 16 P HA -0.127 nan 4.420 nan 0.000 0.218 16 P C 0.102 177.471 177.300 0.115 0.000 1.148 16 P CA 1.343 64.495 63.100 0.088 0.000 0.822 16 P CB 0.256 31.991 31.700 0.058 0.000 0.784 17 D N -2.428 118.032 120.400 0.100 0.000 2.363 17 D HA 0.031 4.670 4.640 -0.001 0.000 0.214 17 D C 0.503 176.876 176.300 0.121 0.000 1.093 17 D CA 0.019 54.074 54.000 0.092 0.000 0.837 17 D CB -0.536 40.301 40.800 0.063 0.000 0.948 17 D HN 0.318 nan 8.370 nan 0.000 0.507 18 H N 0.295 119.408 119.070 0.072 0.000 2.551 18 H HA 0.183 4.738 4.556 -0.001 0.000 0.358 18 H C -0.282 175.142 175.328 0.160 0.000 1.151 18 H CA -0.541 55.558 56.048 0.085 0.000 1.374 18 H CB 1.029 30.814 29.762 0.038 0.000 1.473 18 H HN -0.086 nan 8.280 nan 0.000 0.574 19 C N 4.965 123.938 119.300 -0.545 0.000 2.657 19 C HA 0.449 4.909 4.460 -0.001 0.000 0.404 19 C C 1.545 176.477 174.990 -0.097 0.000 1.369 19 C CA 0.266 59.127 59.018 -0.262 0.000 1.665 19 C CB -2.015 25.564 27.740 -0.270 0.000 2.453 19 C HN 0.905 nan 8.230 nan 0.000 0.599 20 A N 5.216 127.989 122.820 -0.078 0.000 1.871 20 A HA 0.328 4.647 4.320 -0.001 0.000 0.211 20 A C 0.358 177.890 177.584 -0.086 0.000 1.207 20 A CA 0.755 52.649 52.037 -0.237 0.000 0.620 20 A CB -0.176 18.494 19.000 -0.549 0.000 0.860 20 A HN 0.665 nan 8.150 nan 0.000 0.450 21 L N -0.263 120.927 121.223 -0.054 0.000 2.349 21 L HA 0.703 5.043 4.340 -0.001 0.000 0.278 21 L C -0.326 176.544 176.870 -0.002 0.000 0.996 21 L CA -0.418 54.434 54.840 0.021 0.000 0.825 21 L CB 1.286 43.357 42.059 0.019 0.000 1.243 21 L HN 0.272 nan 8.230 nan 0.000 0.412 22 A N 4.313 127.130 122.820 -0.005 0.000 2.318 22 A HA 0.771 5.091 4.320 -0.001 0.000 0.317 22 A C -1.032 176.533 177.584 -0.031 0.000 1.159 22 A CA -0.500 51.520 52.037 -0.029 0.000 0.799 22 A CB 1.241 20.213 19.000 -0.046 0.000 1.194 22 A HN 0.379 nan 8.150 nan 0.000 0.479 23 V N 4.685 124.587 119.914 -0.020 0.000 2.250 23 V HA 0.241 4.361 4.120 -0.001 0.000 0.268 23 V C -1.981 174.100 176.094 -0.022 0.000 1.043 23 V CA -1.052 61.237 62.300 -0.018 0.000 0.814 23 V CB 0.907 32.730 31.823 0.000 0.000 1.072 23 V HN 0.750 nan 8.190 nan 0.000 0.451 24 P HA -0.117 nan 4.420 nan 0.000 0.218 24 P C 1.723 179.010 177.300 -0.022 0.000 1.149 24 P CA 1.548 64.631 63.100 -0.028 0.000 0.817 24 P CB 0.393 32.072 31.700 -0.034 0.000 0.785 25 A N 0.820 123.628 122.820 -0.020 0.000 1.859 25 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 25 A C 1.925 179.503 177.584 -0.009 0.000 1.198 25 A CA 1.740 53.769 52.037 -0.014 0.000 0.629 25 A CB -1.019 17.976 19.000 -0.009 0.000 0.830 25 A HN 0.042 nan 8.150 nan 0.000 0.446 26 R N -0.458 120.039 120.500 -0.006 0.000 2.335 26 R HA 0.192 4.532 4.340 -0.001 0.000 0.223 26 R C 1.085 177.381 176.300 -0.007 0.000 0.940 26 R CA 0.229 56.327 56.100 -0.003 0.000 1.086 26 R CB -1.546 28.755 30.300 0.002 0.000 1.073 26 R HN 0.885 nan 8.270 nan 0.000 0.504 27 G N 1.823 110.617 108.800 -0.010 0.000 2.395 27 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.300 27 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.300 27 G C -0.421 174.471 174.900 -0.012 0.000 0.998 27 G CA 0.408 45.501 45.100 -0.012 0.000 1.046 27 G HN 0.317 nan 8.290 nan 0.000 0.513 28 L N 0.382 121.598 121.223 -0.012 0.000 2.356 28 L HA 0.877 5.217 4.340 -0.001 0.000 0.277 28 L C 0.178 177.039 176.870 -0.016 0.000 0.996 28 L CA -1.233 53.600 54.840 -0.011 0.000 0.822 28 L CB 1.203 43.259 42.059 -0.006 0.000 1.256 28 L HN 0.396 nan 8.230 nan 0.000 0.413 29 R N 5.519 126.008 120.500 -0.019 0.000 2.628 29 R HA 0.756 5.096 4.340 -0.001 0.000 0.288 29 R C -1.734 174.551 176.300 -0.025 0.000 0.980 29 R CA -0.969 55.115 56.100 -0.026 0.000 0.891 29 R CB 1.605 31.883 30.300 -0.037 0.000 1.188 29 R HN 0.547 nan 8.270 nan 0.000 0.450 30 L N 2.083 123.288 121.223 -0.030 0.000 2.385 30 L HA 0.409 4.748 4.340 -0.001 0.000 0.273 30 L C 0.588 177.435 176.870 -0.039 0.000 0.990 30 L CA -0.961 53.862 54.840 -0.029 0.000 0.821 30 L CB 2.429 44.472 42.059 -0.027 0.000 1.279 30 L HN 0.860 nan 8.230 nan 0.000 0.412 31 T N -3.176 111.369 114.554 -0.014 0.000 2.766 31 T HA 0.093 4.443 4.350 -0.001 0.000 0.295 31 T C 1.233 175.954 174.700 0.034 0.000 1.024 31 T CA -0.218 61.897 62.100 0.024 0.000 1.018 31 T CB 0.714 69.614 68.868 0.055 0.000 1.002 31 T HN 0.506 nan 8.240 nan 0.000 0.532 32 H N 0.677 119.766 119.070 0.033 0.000 2.352 32 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 32 H C 2.566 177.913 175.328 0.033 0.000 1.097 32 H CA 1.820 57.894 56.048 0.042 0.000 1.311 32 H CB -0.492 29.308 29.762 0.064 0.000 1.377 32 H HN 0.814 nan 8.280 nan 0.000 0.504 33 A N 1.173 124.085 122.820 0.153 0.000 1.902 33 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 33 A C 2.268 179.883 177.584 0.051 0.000 1.181 33 A CA 1.747 53.836 52.037 0.087 0.000 0.623 33 A CB -0.370 18.671 19.000 0.069 0.000 0.818 33 A HN 0.472 nan 8.150 nan 0.000 0.443 34 E N -0.885 119.337 120.200 0.038 0.000 2.106 34 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 34 E C 1.927 178.530 176.600 0.005 0.000 0.984 34 E CA 1.030 57.440 56.400 0.016 0.000 0.806 34 E CB -0.204 29.501 29.700 0.008 0.000 0.750 34 E HN 0.513 nan 8.360 nan 0.000 0.458 35 L N 1.216 122.436 121.223 -0.006 0.000 2.056 35 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 35 L C 2.074 178.943 176.870 -0.001 0.000 1.078 35 L CA 1.592 56.418 54.840 -0.023 0.000 0.749 35 L CB -0.182 41.831 42.059 -0.078 0.000 0.901 35 L HN -0.080 nan 8.230 nan 0.000 0.433 36 R N 0.238 120.749 120.500 0.019 0.000 2.094 36 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 36 R C 2.239 178.550 176.300 0.019 0.000 1.137 36 R CA 1.646 57.764 56.100 0.030 0.000 0.943 36 R CB -1.417 28.911 30.300 0.046 0.000 0.850 36 R HN 0.551 nan 8.270 nan 0.000 0.433 37 A N 1.106 123.935 122.820 0.016 0.000 1.917 37 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 37 A C 2.305 179.891 177.584 0.004 0.000 1.182 37 A CA 1.889 53.932 52.037 0.010 0.000 0.633 37 A CB -0.388 18.618 19.000 0.011 0.000 0.819 37 A HN 0.295 nan 8.150 nan 0.000 0.448 38 R N -0.999 119.502 120.500 0.002 0.000 2.073 38 R HA 0.006 4.345 4.340 -0.001 0.000 0.229 38 R C 1.983 178.282 176.300 -0.002 0.000 1.120 38 R CA 1.172 57.270 56.100 -0.002 0.000 0.967 38 R CB -0.573 29.724 30.300 -0.004 0.000 0.862 38 R HN 0.343 nan 8.270 nan 0.000 0.436 39 V N 1.627 121.544 119.914 0.006 0.000 2.332 39 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 39 V C 2.132 178.229 176.094 0.004 0.000 1.055 39 V CA 1.797 64.105 62.300 0.013 0.000 1.038 39 V CB -0.395 31.445 31.823 0.030 0.000 0.651 39 V HN 0.309 nan 8.190 nan 0.000 0.450 40 E N 0.300 120.500 120.200 0.000 0.000 2.072 40 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 40 E C 2.358 178.946 176.600 -0.020 0.000 0.985 40 E CA 1.546 57.940 56.400 -0.010 0.000 0.801 40 E CB -0.468 29.228 29.700 -0.007 0.000 0.750 40 E HN 0.591 nan 8.360 nan 0.000 0.452 41 A N 1.120 123.928 122.820 -0.019 0.000 1.897 41 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 41 A C 2.609 180.159 177.584 -0.057 0.000 1.181 41 A CA 1.164 53.182 52.037 -0.031 0.000 0.620 41 A CB -0.598 18.392 19.000 -0.017 0.000 0.821 41 A HN 0.117 nan 8.150 nan 0.000 0.443 42 V N 0.074 119.961 119.914 -0.045 0.000 2.407 42 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 42 V C 3.013 179.076 176.094 -0.052 0.000 1.055 42 V CA 1.747 64.012 62.300 -0.058 0.000 1.049 42 V CB -1.318 30.485 31.823 -0.034 0.000 0.662 42 V HN 0.612 nan 8.190 nan 0.000 0.455 43 A N 0.500 123.303 122.820 -0.028 0.000 1.851 43 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 43 A C 2.481 180.064 177.584 -0.003 0.000 1.195 43 A CA 2.437 54.468 52.037 -0.011 0.000 0.622 43 A CB -1.111 17.883 19.000 -0.010 0.000 0.831 43 A HN 0.595 nan 8.150 nan 0.000 0.444 44 A N -0.933 121.869 122.820 -0.030 0.000 1.986 44 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 44 A C 2.296 179.864 177.584 -0.025 0.000 1.171 44 A CA 1.863 53.880 52.037 -0.034 0.000 0.640 44 A CB -0.524 18.444 19.000 -0.053 0.000 0.811 44 A HN 0.521 nan 8.150 nan 0.000 0.451 45 R N -0.451 119.978 120.500 -0.118 0.000 2.073 45 R HA 0.021 4.361 4.340 -0.001 0.000 0.229 45 R C 1.981 178.195 176.300 -0.143 0.000 1.120 45 R CA 1.245 57.176 56.100 -0.280 0.000 0.967 45 R CB -0.370 29.658 30.300 -0.453 0.000 0.862 45 R HN 0.560 nan 8.270 nan 0.000 0.436 46 L N -0.205 120.977 121.223 -0.068 0.000 2.093 46 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 46 L C 2.818 179.702 176.870 0.024 0.000 1.085 46 L CA 1.243 56.069 54.840 -0.023 0.000 0.755 46 L CB -0.720 41.330 42.059 -0.016 0.000 0.904 46 L HN 0.338 nan 8.230 nan 0.000 0.435 47 H N 0.556 119.603 119.070 -0.039 0.000 2.357 47 H HA -0.063 4.493 4.556 -0.001 0.000 0.301 47 H C 2.083 177.412 175.328 0.002 0.000 1.082 47 H CA 1.446 57.483 56.048 -0.019 0.000 1.342 47 H CB 0.302 30.051 29.762 -0.022 0.000 1.389 47 H HN 0.285 nan 8.280 nan 0.000 0.511 48 A N 0.441 123.403 122.820 0.237 0.000 2.125 48 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 48 A C 1.617 179.287 177.584 0.143 0.000 1.156 48 A CA 1.587 53.751 52.037 0.212 0.000 0.671 48 A CB -0.138 19.008 19.000 0.243 0.000 0.794 48 A HN 0.367 nan 8.150 nan 0.000 0.459 49 D N -1.892 118.560 120.400 0.086 0.000 2.339 49 D HA 0.302 4.941 4.640 -0.001 0.000 0.217 49 D C 1.390 177.686 176.300 -0.007 0.000 1.050 49 D CA 1.126 55.158 54.000 0.052 0.000 0.856 49 D CB 0.512 41.339 40.800 0.046 0.000 0.922 49 D HN 0.541 nan 8.370 nan 0.000 0.518 50 G N 0.399 109.163 108.800 -0.060 0.000 2.316 50 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.203 50 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.203 50 G C 0.199 175.003 174.900 -0.160 0.000 0.999 50 G CA -0.276 44.760 45.100 -0.106 0.000 0.649 50 G HN 0.264 nan 8.290 nan 0.000 0.489 51 L N 2.476 123.615 121.223 -0.141 0.000 2.540 51 L HA 0.518 4.858 4.340 -0.001 0.000 0.276 51 L C 0.706 177.445 176.870 -0.219 0.000 1.212 51 L CA 0.477 55.238 54.840 -0.131 0.000 0.893 51 L CB 0.301 42.316 42.059 -0.074 0.000 1.138 51 L HN 0.275 nan 8.230 nan 0.000 0.491 52 R N 4.216 124.624 120.500 -0.154 0.000 2.888 52 R HA 0.555 4.895 4.340 -0.001 0.000 0.266 52 R C -2.524 173.736 176.300 -0.066 0.000 1.020 52 R CA -2.306 53.710 56.100 -0.141 0.000 0.963 52 R CB 0.789 31.014 30.300 -0.125 0.000 1.197 52 R HN 0.312 nan 8.270 nan 0.000 0.481 53 P HA -0.013 nan 4.420 nan 0.000 0.267 53 P C -0.072 177.205 177.300 -0.038 0.000 1.201 53 P CA 0.452 63.533 63.100 -0.031 0.000 0.775 53 P CB 0.490 32.180 31.700 -0.016 0.000 0.854 54 Q N -1.865 117.908 119.800 -0.044 0.000 2.282 54 Q HA -0.243 4.097 4.340 -0.001 0.000 0.182 54 Q C -0.281 175.695 176.000 -0.041 0.000 0.609 54 Q CA 1.384 57.162 55.803 -0.042 0.000 1.397 54 Q CB -1.590 27.129 28.738 -0.032 0.000 1.458 54 Q HN 0.700 nan 8.270 nan 0.000 0.852 55 Q N 1.000 120.774 119.800 -0.043 0.000 2.314 55 Q HA 0.289 4.629 4.340 -0.001 0.000 0.258 55 Q C -0.086 175.890 176.000 -0.040 0.000 0.954 55 Q CA 0.058 55.837 55.803 -0.038 0.000 0.890 55 Q CB 0.595 29.308 28.738 -0.042 0.000 1.210 55 Q HN 0.092 nan 8.270 nan 0.000 0.410 56 R N 1.310 121.792 120.500 -0.029 0.000 2.265 56 R HA 0.337 4.677 4.340 -0.001 0.000 0.314 56 R C -0.837 175.451 176.300 -0.020 0.000 1.053 56 R CA -0.333 55.751 56.100 -0.026 0.000 0.931 56 R CB 0.748 31.043 30.300 -0.009 0.000 1.024 56 R HN 0.292 nan 8.270 nan 0.000 0.457 57 V N 2.626 122.523 119.914 -0.027 0.000 2.444 57 V HA 0.410 4.530 4.120 -0.001 0.000 0.294 57 V C 0.204 176.287 176.094 -0.019 0.000 1.022 57 V CA -1.042 61.246 62.300 -0.021 0.000 0.850 57 V CB 1.624 33.433 31.823 -0.024 0.000 0.992 57 V HN 0.927 nan 8.190 nan 0.000 0.426 58 A N 4.725 127.539 122.820 -0.009 0.000 2.425 58 A HA 0.691 5.011 4.320 -0.001 0.000 0.249 58 A C -0.329 177.242 177.584 -0.021 0.000 1.084 58 A CA -0.186 51.842 52.037 -0.014 0.000 0.781 58 A CB 0.573 19.560 19.000 -0.020 0.000 1.019 58 A HN 0.839 nan 8.150 nan 0.000 0.490 59 V N 2.923 122.817 119.914 -0.034 0.000 2.482 59 V HA 0.435 4.555 4.120 -0.001 0.000 0.295 59 V C -0.690 175.390 176.094 -0.022 0.000 1.026 59 V CA -0.448 61.838 62.300 -0.022 0.000 0.856 59 V CB 1.542 33.345 31.823 -0.033 0.000 1.001 59 V HN 0.626 nan 8.190 nan 0.000 0.424 60 V N 3.743 123.654 119.914 -0.005 0.000 2.340 60 V HA 0.915 5.035 4.120 -0.001 0.000 0.277 60 V C 0.092 176.204 176.094 0.031 0.000 1.017 60 V CA -0.161 62.130 62.300 -0.014 0.000 0.820 60 V CB 1.126 32.924 31.823 -0.041 0.000 1.028 60 V HN 1.082 nan 8.190 nan 0.000 0.436 61 A N 6.159 129.015 122.820 0.059 0.000 2.589 61 A HA 0.959 5.279 4.320 -0.001 0.000 0.296 61 A C -3.121 174.540 177.584 0.129 0.000 1.062 61 A CA -1.187 50.905 52.037 0.091 0.000 0.686 61 A CB 1.887 20.944 19.000 0.096 0.000 1.282 61 A HN 0.491 nan 8.150 nan 0.000 0.404 62 P HA 0.161 nan 4.420 nan 0.000 0.272 62 P C -0.519 176.870 177.300 0.148 0.000 1.240 62 P CA -0.305 62.887 63.100 0.152 0.000 0.791 62 P CB 0.321 32.095 31.700 0.122 0.000 0.978 63 N N 0.194 118.987 118.700 0.155 0.000 2.407 63 N HA 0.229 4.969 4.740 -0.001 0.000 0.250 63 N C 0.124 175.711 175.510 0.129 0.000 1.236 63 N CA 0.615 53.755 53.050 0.149 0.000 0.879 63 N CB -0.159 38.421 38.487 0.156 0.000 1.088 63 N HN 0.572 nan 8.380 nan 0.000 0.450 64 S N -1.065 114.714 115.700 0.132 0.000 2.622 64 S HA 0.535 5.005 4.470 -0.001 0.000 0.275 64 S C 0.385 175.049 174.600 0.105 0.000 1.112 64 S CA -0.381 57.882 58.200 0.105 0.000 0.837 64 S CB 0.431 63.679 63.200 0.081 0.000 1.082 64 S HN 0.435 nan 8.310 nan 0.000 0.456 65 A N 1.054 123.924 122.820 0.084 0.000 1.940 65 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 65 A C 1.607 179.218 177.584 0.044 0.000 1.176 65 A CA 2.112 54.191 52.037 0.070 0.000 0.631 65 A CB -1.056 17.972 19.000 0.046 0.000 0.814 65 A HN 0.838 nan 8.150 nan 0.000 0.446 66 D N -0.714 119.706 120.400 0.034 0.000 2.144 66 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 66 D C 1.957 178.268 176.300 0.019 0.000 0.978 66 D CA 1.304 55.311 54.000 0.012 0.000 0.833 66 D CB -0.461 40.334 40.800 -0.008 0.000 0.961 66 D HN 0.214 nan 8.370 nan 0.000 0.470 67 V N 0.549 120.487 119.914 0.040 0.000 2.548 67 V HA -0.156 3.963 4.120 -0.001 0.000 0.249 67 V C 2.352 178.474 176.094 0.047 0.000 1.055 67 V CA 0.905 63.233 62.300 0.046 0.000 1.065 67 V CB -0.003 31.860 31.823 0.067 0.000 0.681 67 V HN -0.019 nan 8.190 nan 0.000 0.462 68 V N 0.107 120.049 119.914 0.047 0.000 2.343 68 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 68 V C 2.218 178.334 176.094 0.036 0.000 1.051 68 V CA 2.532 64.850 62.300 0.030 0.000 1.036 68 V CB -0.436 31.380 31.823 -0.012 0.000 0.654 68 V HN 0.490 nan 8.190 nan 0.000 0.451 69 I N 0.266 120.850 120.570 0.025 0.000 2.179 69 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 69 I C 2.689 178.824 176.117 0.029 0.000 1.088 69 I CA 1.507 62.819 61.300 0.021 0.000 1.357 69 I CB -0.620 37.384 38.000 0.006 0.000 1.051 69 I HN 0.289 nan 8.210 nan 0.000 0.409 70 A N 0.992 123.825 122.820 0.022 0.000 1.908 70 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 70 A C 2.277 179.886 177.584 0.041 0.000 1.181 70 A CA 1.691 53.740 52.037 0.019 0.000 0.627 70 A CB -0.871 18.134 19.000 0.009 0.000 0.818 70 A HN 0.386 nan 8.150 nan 0.000 0.445 71 I N -0.348 120.256 120.570 0.057 0.000 2.202 71 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 71 I C 2.308 178.529 176.117 0.173 0.000 1.091 71 I CA 1.103 62.452 61.300 0.081 0.000 1.368 71 I CB -0.267 37.764 38.000 0.051 0.000 1.058 71 I HN 0.280 nan 8.210 nan 0.000 0.410 72 L N 0.260 121.594 121.223 0.186 0.000 2.141 72 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 72 L C 2.813 179.782 176.870 0.165 0.000 1.094 72 L CA 1.020 55.999 54.840 0.232 0.000 0.763 72 L CB -0.820 41.336 42.059 0.161 0.000 0.908 72 L HN 0.248 nan 8.230 nan 0.000 0.437 73 A N 0.656 123.533 122.820 0.094 0.000 1.858 73 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 73 A C 2.267 179.878 177.584 0.045 0.000 1.190 73 A CA 1.457 53.524 52.037 0.050 0.000 0.617 73 A CB -0.737 18.276 19.000 0.022 0.000 0.827 73 A HN 0.325 nan 8.150 nan 0.000 0.443 74 L N -1.457 119.798 121.223 0.053 0.000 2.012 74 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 74 L C 2.723 179.616 176.870 0.039 0.000 1.073 74 L CA 1.981 56.839 54.840 0.031 0.000 0.748 74 L CB -0.710 41.361 42.059 0.019 0.000 0.891 74 L HN 0.677 nan 8.230 nan 0.000 0.431 75 H N 0.239 119.309 119.070 -0.000 0.000 2.353 75 H HA -0.203 4.353 4.556 -0.001 0.000 0.300 75 H C 2.277 177.606 175.328 0.002 0.000 1.090 75 H CA 1.922 57.949 56.048 -0.034 0.000 1.327 75 H CB 0.017 29.860 29.762 0.136 0.000 1.383 75 H HN 0.047 nan 8.280 nan 0.000 0.508 76 R N 0.642 121.078 120.500 -0.107 0.000 2.081 76 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 76 R C 2.499 178.729 176.300 -0.117 0.000 1.131 76 R CA 1.738 57.750 56.100 -0.147 0.000 0.960 76 R CB -1.185 29.098 30.300 -0.029 0.000 0.856 76 R HN 0.545 nan 8.270 nan 0.000 0.436 77 L N -1.555 119.635 121.223 -0.056 0.000 2.012 77 L HA -0.009 4.331 4.340 -0.001 0.000 0.210 77 L C 1.334 178.185 176.870 -0.033 0.000 1.073 77 L CA 2.134 56.966 54.840 -0.013 0.000 0.748 77 L CB -0.245 41.827 42.059 0.020 0.000 0.891 77 L HN 0.611 nan 8.230 nan 0.000 0.431 78 G N -2.241 106.511 108.800 -0.081 0.000 2.485 78 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.181 78 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.181 78 G C 0.359 175.215 174.900 -0.073 0.000 0.999 78 G CA -0.018 45.030 45.100 -0.086 0.000 0.721 78 G HN 0.717 nan 8.290 nan 0.000 0.486 79 A N -0.021 122.763 122.820 -0.061 0.000 2.386 79 A HA 0.631 4.951 4.320 -0.001 0.000 0.246 79 A C 0.407 177.930 177.584 -0.103 0.000 1.089 79 A CA 0.575 52.573 52.037 -0.065 0.000 0.790 79 A CB 0.770 19.741 19.000 -0.048 0.000 1.042 79 A HN 1.059 nan 8.150 nan 0.000 0.497 80 V N 3.130 122.977 119.914 -0.111 0.000 2.293 80 V HA 0.290 4.410 4.120 -0.001 0.000 0.275 80 V C -2.379 173.630 176.094 -0.143 0.000 1.021 80 V CA -1.372 60.827 62.300 -0.170 0.000 0.815 80 V CB 1.048 32.796 31.823 -0.125 0.000 1.025 80 V HN 0.713 nan 8.190 nan 0.000 0.448 81 P HA 0.315 nan 4.420 nan 0.000 0.271 81 P C -0.609 176.604 177.300 -0.144 0.000 1.220 81 P CA 0.048 63.077 63.100 -0.119 0.000 0.768 81 P CB 0.858 32.511 31.700 -0.079 0.000 0.848 82 A N 4.967 127.730 122.820 -0.095 0.000 2.328 82 A HA 0.485 4.804 4.320 -0.001 0.000 0.318 82 A C -0.425 177.142 177.584 -0.028 0.000 1.347 82 A CA -0.671 51.350 52.037 -0.026 0.000 0.842 82 A CB -0.131 18.941 19.000 0.120 0.000 1.148 82 A HN 0.466 nan 8.150 nan 0.000 0.499 83 L N 3.251 124.368 121.223 -0.176 0.000 2.265 83 L HA 0.513 4.853 4.340 -0.001 0.000 0.288 83 L C -0.643 176.250 176.870 0.039 0.000 1.058 83 L CA -0.215 54.543 54.840 -0.138 0.000 0.809 83 L CB 0.859 42.715 42.059 -0.338 0.000 1.179 83 L HN 0.549 nan 8.230 nan 0.000 0.429 84 L N 3.150 124.344 121.223 -0.049 0.000 2.365 84 L HA 0.387 4.727 4.340 -0.001 0.000 0.273 84 L C 0.141 176.814 176.870 -0.328 0.000 1.000 84 L CA -0.704 54.009 54.840 -0.212 0.000 0.819 84 L CB 1.900 43.765 42.059 -0.323 0.000 1.284 84 L HN 0.513 nan 8.230 nan 0.000 0.418 85 N N 4.834 123.160 118.700 -0.622 0.000 2.414 85 N HA 0.008 4.748 4.740 -0.001 0.000 0.268 85 N C -1.640 173.588 175.510 -0.471 0.000 1.286 85 N CA -1.155 51.257 53.050 -1.063 0.000 0.896 85 N CB 0.959 38.903 38.487 -0.904 0.000 1.093 85 N HN 0.335 nan 8.380 nan 0.000 0.480 86 P HA -0.046 nan 4.420 nan 0.000 0.230 86 P C 0.721 177.957 177.300 -0.107 0.000 1.158 86 P CA 0.573 63.594 63.100 -0.132 0.000 0.769 86 P CB 0.444 32.128 31.700 -0.027 0.000 0.807 87 R N -0.485 119.935 120.500 -0.132 0.000 2.276 87 R HA 0.187 4.527 4.340 -0.001 0.000 0.203 87 R C 1.221 177.470 176.300 -0.086 0.000 1.017 87 R CA -0.252 55.802 56.100 -0.077 0.000 1.010 87 R CB -1.048 29.226 30.300 -0.043 0.000 0.900 87 R HN 0.328 nan 8.270 nan 0.000 0.469 88 L N 1.638 122.785 121.223 -0.126 0.000 2.482 88 L HA -0.029 4.310 4.340 -0.001 0.000 0.273 88 L C 0.953 177.775 176.870 -0.080 0.000 1.228 88 L CA 0.340 55.115 54.840 -0.109 0.000 0.827 88 L CB 0.243 42.214 42.059 -0.147 0.000 1.099 88 L HN -0.173 nan 8.230 nan 0.000 0.494 89 K N 0.984 121.345 120.400 -0.066 0.000 2.295 89 K HA 0.090 4.410 4.320 -0.001 0.000 0.270 89 K C 1.141 177.709 176.600 -0.054 0.000 1.011 89 K CA -0.112 56.145 56.287 -0.050 0.000 0.953 89 K CB 1.061 33.537 32.500 -0.040 0.000 0.956 89 K HN 0.588 nan 8.250 nan 0.000 0.477 90 S N 1.909 117.584 115.700 -0.043 0.000 2.368 90 S HA -0.287 4.182 4.470 -0.001 0.000 0.226 90 S C 1.959 176.537 174.600 -0.038 0.000 1.044 90 S CA 1.906 60.083 58.200 -0.038 0.000 1.062 90 S CB -0.283 62.901 63.200 -0.026 0.000 0.931 90 S HN 0.776 nan 8.310 nan 0.000 0.440 91 A N 1.458 124.258 122.820 -0.033 0.000 1.903 91 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 91 A C 2.037 179.596 177.584 -0.042 0.000 1.191 91 A CA 2.005 54.024 52.037 -0.031 0.000 0.638 91 A CB -0.731 18.253 19.000 -0.026 0.000 0.823 91 A HN 0.659 nan 8.150 nan 0.000 0.451 92 E N -0.363 119.806 120.200 -0.052 0.000 2.072 92 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 92 E C 2.005 178.551 176.600 -0.091 0.000 0.985 92 E CA 1.134 57.495 56.400 -0.065 0.000 0.801 92 E CB -0.305 29.352 29.700 -0.071 0.000 0.750 92 E HN 0.642 nan 8.360 nan 0.000 0.452 93 L N 0.790 121.952 121.223 -0.101 0.000 2.056 93 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 93 L C 2.620 179.436 176.870 -0.091 0.000 1.078 93 L CA 0.997 55.761 54.840 -0.125 0.000 0.749 93 L CB -0.458 41.532 42.059 -0.115 0.000 0.901 93 L HN 0.129 nan 8.230 nan 0.000 0.433 94 A N -0.169 122.615 122.820 -0.061 0.000 1.902 94 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 94 A C 2.212 179.772 177.584 -0.041 0.000 1.181 94 A CA 1.909 53.921 52.037 -0.042 0.000 0.623 94 A CB -0.427 18.555 19.000 -0.029 0.000 0.818 94 A HN 0.371 nan 8.150 nan 0.000 0.443 95 E N 0.081 120.255 120.200 -0.043 0.000 2.106 95 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 95 E C 1.821 178.405 176.600 -0.026 0.000 0.984 95 E CA 1.057 57.438 56.400 -0.031 0.000 0.806 95 E CB -0.362 29.321 29.700 -0.028 0.000 0.750 95 E HN 0.595 nan 8.360 nan 0.000 0.458 96 L N -0.196 120.997 121.223 -0.051 0.000 2.056 96 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 96 L C 2.374 179.239 176.870 -0.009 0.000 1.078 96 L CA 0.877 55.693 54.840 -0.040 0.000 0.749 96 L CB -0.313 41.642 42.059 -0.173 0.000 0.901 96 L HN 0.176 nan 8.230 nan 0.000 0.433 97 I N -0.290 120.257 120.570 -0.038 0.000 2.226 97 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 97 I C 2.669 178.786 176.117 -0.000 0.000 1.100 97 I CA 1.251 62.543 61.300 -0.014 0.000 1.374 97 I CB -0.297 37.686 38.000 -0.028 0.000 1.057 97 I HN 0.214 nan 8.210 nan 0.000 0.413 98 K N 1.277 121.671 120.400 -0.009 0.000 1.991 98 K HA -0.210 4.109 4.320 -0.001 0.000 0.212 98 K C 2.354 178.957 176.600 0.006 0.000 1.049 98 K CA 1.653 57.935 56.287 -0.008 0.000 0.932 98 K CB -0.084 32.405 32.500 -0.018 0.000 0.717 98 K HN 0.121 nan 8.250 nan 0.000 0.441 99 R N -0.520 119.989 120.500 0.016 0.000 2.105 99 R HA -0.102 4.238 4.340 -0.001 0.000 0.239 99 R C 2.214 178.542 176.300 0.048 0.000 1.135 99 R CA 1.355 57.475 56.100 0.032 0.000 0.967 99 R CB -0.434 29.893 30.300 0.045 0.000 0.861 99 R HN 0.394 nan 8.270 nan 0.000 0.442 100 G N 0.208 109.045 108.800 0.062 0.000 2.882 100 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.206 100 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.206 100 G C -0.199 174.726 174.900 0.041 0.000 1.155 100 G CA -0.170 44.974 45.100 0.074 0.000 0.800 100 G HN 0.353 nan 8.290 nan 0.000 0.524 101 E N -1.287 118.928 120.200 0.025 0.000 2.257 101 E HA -0.237 4.112 4.350 -0.001 0.000 0.224 101 E C 0.447 177.051 176.600 0.008 0.000 1.286 101 E CA -0.103 56.304 56.400 0.011 0.000 0.716 101 E CB -0.868 28.837 29.700 0.009 0.000 1.159 101 E HN 0.472 nan 8.360 nan 0.000 0.367 102 M N -0.582 119.025 119.600 0.011 0.000 2.211 102 M HA 0.035 4.515 4.480 -0.001 0.000 0.356 102 M C 1.501 177.800 176.300 -0.002 0.000 1.216 102 M CA 0.345 55.650 55.300 0.007 0.000 1.134 102 M CB 0.975 33.584 32.600 0.015 0.000 1.564 102 M HN 0.004 nan 8.290 nan 0.000 0.463 103 T N 2.167 116.716 114.554 -0.008 0.000 2.896 103 T HA 0.252 4.602 4.350 -0.001 0.000 0.263 103 T C 0.373 175.069 174.700 -0.007 0.000 1.050 103 T CA 0.853 62.947 62.100 -0.011 0.000 1.140 103 T CB -0.011 68.844 68.868 -0.021 0.000 0.877 103 T HN 0.746 nan 8.240 nan 0.000 0.457 104 A N 0.022 122.839 122.820 -0.005 0.000 2.602 104 A HA 0.841 5.160 4.320 -0.001 0.000 0.290 104 A C -1.736 175.850 177.584 0.004 0.000 1.114 104 A CA -0.577 51.462 52.037 0.003 0.000 0.683 104 A CB 1.108 20.109 19.000 0.002 0.000 1.281 104 A HN 0.400 nan 8.150 nan 0.000 0.416 105 A N 0.433 123.260 122.820 0.013 0.000 2.457 105 A HA 0.598 4.917 4.320 -0.001 0.000 0.283 105 A C -0.904 176.697 177.584 0.027 0.000 1.166 105 A CA -0.353 51.691 52.037 0.012 0.000 0.740 105 A CB 0.687 19.691 19.000 0.007 0.000 1.181 105 A HN 1.363 nan 8.150 nan 0.000 0.446 106 V N 4.819 124.747 119.914 0.024 0.000 2.427 106 V HA 0.354 4.474 4.120 -0.001 0.000 0.268 106 V C 0.357 176.488 176.094 0.061 0.000 1.046 106 V CA 0.265 62.592 62.300 0.044 0.000 0.970 106 V CB -0.089 31.750 31.823 0.027 0.000 1.001 106 V HN 0.751 nan 8.190 nan 0.000 0.476 107 I N 2.072 122.707 120.570 0.108 0.000 2.892 107 I HA 1.003 5.172 4.170 -0.001 0.000 0.306 107 I C -0.282 175.969 176.117 0.224 0.000 1.078 107 I CA -1.095 60.273 61.300 0.114 0.000 1.032 107 I CB 2.512 40.549 38.000 0.062 0.000 1.229 107 I HN 0.508 nan 8.210 nan 0.000 0.435 108 A N 4.876 127.799 122.820 0.170 0.000 2.605 108 A HA 0.895 5.214 4.320 -0.001 0.000 0.293 108 A C -0.444 177.182 177.584 0.069 0.000 1.216 108 A CA 0.195 52.365 52.037 0.221 0.000 0.742 108 A CB 0.628 19.794 19.000 0.276 0.000 1.170 108 A HN 1.685 nan 8.150 nan 0.000 0.443 113 V N 0.999 120.891 119.914 -0.037 0.000 2.427 113 V HA 0.377 4.496 4.120 -0.001 0.000 0.248 113 V C 2.682 178.767 176.094 -0.016 0.000 1.051 113 V CA 3.194 65.477 62.300 -0.028 0.000 1.048 113 V CB -1.188 30.613 31.823 -0.036 0.000 0.666 113 V HN 1.112 nan 8.190 nan 0.000 0.456 114 A N -0.020 122.784 122.820 -0.028 0.000 1.877 114 A HA -0.272 4.048 4.320 -0.001 0.000 0.216 114 A C 2.072 179.667 177.584 0.019 0.000 1.186 114 A CA 1.951 53.980 52.037 -0.014 0.000 0.620 114 A CB -0.764 18.203 19.000 -0.054 0.000 0.822 114 A HN 0.593 nan 8.150 nan 0.000 0.443 115 D N 0.068 120.469 120.400 0.001 0.000 2.127 115 D HA -0.168 4.472 4.640 -0.001 0.000 0.190 115 D C 2.270 178.638 176.300 0.114 0.000 1.000 115 D CA 1.934 55.956 54.000 0.037 0.000 0.839 115 D CB -0.553 40.252 40.800 0.008 0.000 0.955 115 D HN 0.414 nan 8.370 nan 0.000 0.446 116 A N 0.284 123.140 122.820 0.061 0.000 1.908 116 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 116 A C 2.446 180.063 177.584 0.056 0.000 1.181 116 A CA 1.225 53.292 52.037 0.050 0.000 0.627 116 A CB -0.764 18.243 19.000 0.012 0.000 0.818 116 A HN 0.245 nan 8.150 nan 0.000 0.445 117 I N -1.885 118.721 120.570 0.060 0.000 2.113 117 I HA -0.237 3.933 4.170 -0.001 0.000 0.238 117 I C 2.290 178.451 176.117 0.074 0.000 1.070 117 I CA 1.733 63.062 61.300 0.048 0.000 1.332 117 I CB -0.454 37.569 38.000 0.040 0.000 1.044 117 I HN 0.471 nan 8.210 nan 0.000 0.402 118 F N 1.720 121.659 119.950 -0.019 0.000 2.063 118 F HA -0.359 4.167 4.527 -0.001 0.000 0.297 118 F C 2.297 178.088 175.800 -0.015 0.000 1.099 118 F CA 1.980 59.971 58.000 -0.015 0.000 1.220 118 F CB -0.435 38.556 39.000 -0.015 0.000 0.972 118 F HN 0.117 nan 8.300 nan 0.000 0.487 119 Q N -0.353 119.445 119.800 -0.003 0.000 2.322 119 Q HA 0.012 4.351 4.340 -0.001 0.000 0.203 119 Q C 1.598 177.532 176.000 -0.110 0.000 0.923 119 Q CA 0.600 56.340 55.803 -0.106 0.000 0.949 119 Q CB -0.090 28.707 28.738 0.098 0.000 1.039 119 Q HN 0.569 nan 8.270 nan 0.000 0.496 120 S N -2.736 112.900 115.700 -0.108 0.000 2.523 120 S HA 0.304 4.774 4.470 -0.001 0.000 0.217 120 S C 1.382 175.924 174.600 -0.097 0.000 0.996 120 S CA 0.326 58.480 58.200 -0.077 0.000 0.921 120 S CB 0.931 64.103 63.200 -0.047 0.000 0.829 120 S HN 0.445 nan 8.310 nan 0.000 0.495 121 G N 1.799 110.510 108.800 -0.149 0.000 2.399 121 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.216 121 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.216 121 G C 0.357 175.191 174.900 -0.109 0.000 1.096 121 G CA 0.176 45.193 45.100 -0.139 0.000 0.650 121 G HN 1.516 nan 8.290 nan 0.000 0.512 122 S N 1.300 116.954 115.700 -0.076 0.000 2.711 122 S HA 0.335 4.805 4.470 -0.001 0.000 0.320 122 S C 1.416 175.988 174.600 -0.047 0.000 1.240 122 S CA 1.240 59.410 58.200 -0.049 0.000 1.034 122 S CB 0.768 63.948 63.200 -0.033 0.000 0.741 122 S HN 1.932 nan 8.310 nan 0.000 0.496 123 G N 2.751 111.533 108.800 -0.030 0.000 3.496 123 G HA2 0.525 4.485 3.960 -0.001 0.000 0.273 123 G HA3 0.525 4.485 3.960 -0.001 0.000 0.273 123 G C 0.185 175.081 174.900 -0.006 0.000 1.279 123 G CA 0.069 45.155 45.100 -0.022 0.000 1.041 123 G HN 1.176 nan 8.290 nan 0.000 0.539 124 A N 0.752 123.572 122.820 -0.001 0.000 2.269 124 A HA 0.578 4.897 4.320 -0.001 0.000 0.302 124 A C 0.635 178.235 177.584 0.025 0.000 1.266 124 A CA -0.753 51.289 52.037 0.009 0.000 0.894 124 A CB 0.392 19.395 19.000 0.006 0.000 1.147 124 A HN 0.314 nan 8.150 nan 0.000 0.537 125 R N 2.410 122.924 120.500 0.024 0.000 2.399 125 R HA 0.230 4.570 4.340 -0.001 0.000 0.324 125 R C 0.131 176.455 176.300 0.041 0.000 1.030 125 R CA 0.229 56.350 56.100 0.035 0.000 0.984 125 R CB -0.427 29.888 30.300 0.024 0.000 0.961 125 R HN 0.740 nan 8.270 nan 0.000 0.433 126 I N 6.464 127.068 120.570 0.056 0.000 2.494 126 I HA 0.194 4.363 4.170 -0.001 0.000 0.289 126 I C 0.357 176.515 176.117 0.069 0.000 1.106 126 I CA 0.144 61.479 61.300 0.059 0.000 1.369 126 I CB -0.204 37.833 38.000 0.062 0.000 1.410 126 I HN 0.627 nan 8.210 nan 0.000 0.523 127 I N 7.105 127.721 120.570 0.077 0.000 2.362 127 I HA 0.418 4.588 4.170 -0.001 0.000 0.289 127 I C -0.327 175.892 176.117 0.171 0.000 0.994 127 I CA -0.634 60.724 61.300 0.097 0.000 1.158 127 I CB 1.317 39.349 38.000 0.055 0.000 1.315 127 I HN 0.709 nan 8.210 nan 0.000 0.451 128 F N 6.645 126.603 119.950 0.013 0.000 2.438 128 F HA 0.190 4.717 4.527 -0.001 0.000 0.356 128 F C 0.715 176.527 175.800 0.020 0.000 1.099 128 F CA -0.685 57.325 58.000 0.015 0.000 1.185 128 F CB 1.044 40.054 39.000 0.017 0.000 1.115 128 F HN 0.392 nan 8.300 nan 0.000 0.526 129 L N 6.221 127.447 121.223 0.004 0.000 2.081 129 L HA -0.035 4.305 4.340 -0.001 0.000 0.212 129 L C 2.170 178.728 176.870 -0.519 0.000 1.080 129 L CA 2.395 57.115 54.840 -0.200 0.000 0.754 129 L CB -1.244 40.795 42.059 -0.034 0.000 0.893 129 L HN 0.833 nan 8.230 nan 0.000 0.433 130 G N -1.682 106.320 108.800 -1.331 0.000 2.509 130 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 130 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 130 G C 1.182 175.760 174.900 -0.536 0.000 1.124 130 G CA 0.718 45.202 45.100 -1.026 0.000 0.776 130 G HN 0.428 nan 8.290 nan 0.000 0.547 131 D N 0.054 120.195 120.400 -0.431 0.000 2.289 131 D HA 0.060 4.699 4.640 -0.001 0.000 0.207 131 D C 2.507 178.780 176.300 -0.044 0.000 0.966 131 D CA 0.191 54.129 54.000 -0.104 0.000 0.868 131 D CB 0.281 41.083 40.800 0.002 0.000 0.943 131 D HN 0.315 nan 8.370 nan 0.000 0.514 132 L N -0.261 120.903 121.223 -0.099 0.000 2.145 132 L HA 0.130 4.470 4.340 -0.001 0.000 0.201 132 L C 0.794 177.641 176.870 -0.040 0.000 1.075 132 L CA 0.388 55.192 54.840 -0.061 0.000 0.773 132 L CB 0.534 42.554 42.059 -0.065 0.000 0.936 132 L HN -0.163 nan 8.230 nan 0.000 0.451 133 V N -0.244 119.625 119.914 -0.075 0.000 2.891 133 V HA 0.513 4.633 4.120 -0.001 0.000 0.304 133 V C -1.632 174.409 176.094 -0.089 0.000 1.171 133 V CA -0.644 61.622 62.300 -0.057 0.000 0.943 133 V CB 2.463 34.262 31.823 -0.040 0.000 1.037 133 V HN 0.235 nan 8.190 nan 0.000 0.427 134 R N 4.272 124.732 120.500 -0.067 0.000 2.476 134 R HA 0.557 4.897 4.340 -0.001 0.000 0.305 134 R C -0.202 176.075 176.300 -0.039 0.000 0.965 134 R CA 0.040 56.099 56.100 -0.068 0.000 0.867 134 R CB 0.924 31.183 30.300 -0.069 0.000 1.176 134 R HN 0.826 nan 8.270 nan 0.000 0.447 135 D N 3.858 124.243 120.400 -0.026 0.000 2.701 135 D HA -0.210 4.429 4.640 -0.001 0.000 0.235 135 D C 0.587 176.879 176.300 -0.013 0.000 1.155 135 D CA 2.061 56.053 54.000 -0.013 0.000 0.649 135 D CB -0.761 40.033 40.800 -0.010 0.000 1.050 135 D HN 1.051 nan 8.370 nan 0.000 0.425 136 G N -0.639 108.153 108.800 -0.014 0.000 2.225 136 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 136 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 136 G C 0.067 174.957 174.900 -0.016 0.000 0.988 136 G CA 0.318 45.411 45.100 -0.012 0.000 0.625 136 G HN 0.352 nan 8.290 nan 0.000 0.527 137 E N 1.925 122.111 120.200 -0.023 0.000 2.081 137 E HA 0.427 4.776 4.350 -0.001 0.000 0.281 137 E C -2.163 174.421 176.600 -0.027 0.000 0.986 137 E CA -1.775 54.609 56.400 -0.027 0.000 0.796 137 E CB 1.918 31.598 29.700 -0.035 0.000 1.085 137 E HN 0.355 nan 8.360 nan 0.000 0.398 138 P HA 0.136 nan 4.420 nan 0.000 0.282 138 P C -0.714 176.613 177.300 0.045 0.000 1.259 138 P CA -0.646 62.457 63.100 0.005 0.000 0.826 138 P CB 0.709 32.408 31.700 -0.001 0.000 1.064 139 Y N 1.173 121.430 120.300 -0.071 0.000 2.477 139 Y HA 0.288 4.838 4.550 -0.000 0.000 0.349 139 Y C -0.211 175.616 175.900 -0.122 0.000 0.977 139 Y CA -0.668 57.399 58.100 -0.055 0.000 1.214 139 Y CB 0.027 38.469 38.460 -0.029 0.000 1.124 139 Y HN 0.196 nan 8.280 nan 0.000 0.521 140 S N 7.405 123.311 115.700 0.344 0.000 2.508 140 S HA 0.646 5.116 4.470 -0.001 0.000 0.284 140 S C -1.439 173.282 174.600 0.201 0.000 1.192 140 S CA -0.382 57.890 58.200 0.121 0.000 1.070 140 S CB 0.447 63.700 63.200 0.088 0.000 1.004 140 S HN 0.621 nan 8.310 nan 0.000 0.493 141 Y N -1.354 118.995 120.300 0.080 0.000 2.620 141 Y HA 0.677 5.226 4.550 -0.001 0.000 0.331 141 Y C -0.249 175.660 175.900 0.015 0.000 1.173 141 Y CA -0.671 57.455 58.100 0.043 0.000 1.076 141 Y CB 0.511 38.980 38.460 0.016 0.000 1.336 141 Y HN 1.089 nan 8.280 nan 0.000 0.459 142 G N 1.835 110.787 108.800 0.255 0.000 2.690 142 G HA2 0.146 4.106 3.960 -0.001 0.000 0.686 142 G HA3 0.146 4.106 3.960 -0.001 0.000 0.686 142 G C -2.940 171.998 174.900 0.064 0.000 1.277 142 G CA -0.772 44.415 45.100 0.145 0.000 0.799 142 G HN 0.744 nan 8.290 nan 0.000 0.613 143 P HA 0.456 nan 4.420 nan 0.000 0.274 143 P C -2.182 175.101 177.300 -0.030 0.000 1.256 143 P CA -1.010 62.091 63.100 0.001 0.000 0.795 143 P CB -0.197 31.497 31.700 -0.009 0.000 1.038 144 P HA 0.159 nan 4.420 nan 0.000 0.270 144 P C -0.099 177.143 177.300 -0.098 0.000 1.223 144 P CA 0.125 63.193 63.100 -0.054 0.000 0.785 144 P CB 0.419 32.097 31.700 -0.036 0.000 0.923 145 I N -3.088 117.408 120.570 -0.124 0.000 3.023 145 I HA 0.529 4.698 4.170 -0.001 0.000 0.312 145 I C 0.016 176.050 176.117 -0.138 0.000 1.056 145 I CA -1.562 59.614 61.300 -0.206 0.000 1.033 145 I CB 1.486 39.281 38.000 -0.342 0.000 1.233 145 I HN 0.141 nan 8.210 nan 0.000 0.462 146 E N 1.219 121.333 120.200 -0.142 0.000 2.418 146 E HA 0.011 4.360 4.350 -0.001 0.000 0.261 146 E C -1.077 175.489 176.600 -0.058 0.000 1.070 146 E CA 0.237 56.592 56.400 -0.075 0.000 0.931 146 E CB 0.395 30.065 29.700 -0.051 0.000 0.954 146 E HN 0.517 nan 8.360 nan 0.000 0.439 147 D N 2.830 123.206 120.400 -0.041 0.000 2.396 147 D HA 0.162 4.802 4.640 -0.001 0.000 0.225 147 D C -2.170 174.112 176.300 -0.031 0.000 1.121 147 D CA -1.816 52.161 54.000 -0.039 0.000 0.853 147 D CB 0.510 41.291 40.800 -0.032 0.000 1.043 147 D HN 0.094 nan 8.370 nan 0.000 0.500 148 P HA 0.105 nan 4.420 nan 0.000 0.272 148 P C -0.499 176.788 177.300 -0.022 0.000 1.223 148 P CA -0.486 62.602 63.100 -0.020 0.000 0.784 148 P CB 0.704 32.393 31.700 -0.018 0.000 0.923 149 Q N 1.857 121.651 119.800 -0.011 0.000 2.313 149 Q HA 0.138 4.478 4.340 -0.001 0.000 0.266 149 Q C -0.422 175.575 176.000 -0.005 0.000 0.989 149 Q CA 0.508 56.307 55.803 -0.006 0.000 0.890 149 Q CB 0.405 29.142 28.738 -0.002 0.000 1.200 149 Q HN 0.265 nan 8.270 nan 0.000 0.396 150 R N 2.945 123.447 120.500 0.004 0.000 2.562 150 R HA 0.398 4.737 4.340 -0.001 0.000 0.298 150 R C -0.794 175.519 176.300 0.021 0.000 0.961 150 R CA -0.867 55.242 56.100 0.016 0.000 0.881 150 R CB 1.441 31.763 30.300 0.036 0.000 1.159 150 R HN 0.576 nan 8.270 nan 0.000 0.450 151 E N 3.027 123.238 120.200 0.018 0.000 2.202 151 E HA 0.204 4.553 4.350 -0.001 0.000 0.272 151 E C -1.843 174.768 176.600 0.019 0.000 0.951 151 E CA -2.462 53.947 56.400 0.014 0.000 0.813 151 E CB 1.379 31.081 29.700 0.004 0.000 1.151 151 E HN 0.265 nan 8.360 nan 0.000 0.398 152 P HA -0.170 nan 4.420 nan 0.000 0.215 152 P C 0.780 178.082 177.300 0.003 0.000 1.157 152 P CA 1.768 64.875 63.100 0.013 0.000 0.874 152 P CB 0.250 31.952 31.700 0.004 0.000 0.790 153 A N -1.038 121.777 122.820 -0.009 0.000 2.208 153 A HA -0.057 4.263 4.320 -0.001 0.000 0.209 153 A C 1.368 178.943 177.584 -0.015 0.000 1.161 153 A CA -0.019 52.005 52.037 -0.021 0.000 0.782 153 A CB -1.039 17.941 19.000 -0.034 0.000 0.816 153 A HN 0.219 nan 8.150 nan 0.000 0.477 154 Q N 0.918 120.716 119.800 -0.002 0.000 2.364 154 Q HA 0.158 4.498 4.340 -0.001 0.000 0.267 154 Q C -2.535 173.467 176.000 0.003 0.000 0.999 154 Q CA -1.828 53.973 55.803 -0.003 0.000 0.886 154 Q CB 0.502 29.240 28.738 0.001 0.000 1.243 154 Q HN 0.113 nan 8.270 nan 0.000 0.415 155 P HA -0.044 nan 4.420 nan 0.000 0.265 155 P C -1.097 176.189 177.300 -0.024 0.000 1.193 155 P CA 0.461 63.558 63.100 -0.006 0.000 0.765 155 P CB 1.033 32.721 31.700 -0.020 0.000 0.823 156 A N 2.728 125.542 122.820 -0.011 0.000 1.988 156 A HA 0.423 4.743 4.320 -0.001 0.000 0.198 156 A C -0.140 177.108 177.584 -0.560 0.000 1.507 156 A CA 0.773 52.703 52.037 -0.180 0.000 0.901 156 A CB 0.158 19.202 19.000 0.074 0.000 1.007 156 A HN 0.448 nan 8.150 nan 0.000 0.502 157 F N -1.121 118.880 119.950 0.085 0.000 2.631 157 F HA 0.643 5.170 4.527 -0.000 0.000 0.308 157 F C -0.742 175.058 175.800 -0.000 0.000 1.097 157 F CA -0.702 57.296 58.000 -0.003 0.000 0.952 157 F CB 1.778 40.835 39.000 0.095 0.000 1.307 157 F HN -0.095 nan 8.300 nan 0.000 0.450 158 I N 2.357 122.910 120.570 -0.028 0.000 2.436 158 I HA 0.473 4.642 4.170 -0.001 0.000 0.289 158 I C -1.319 174.608 176.117 -0.317 0.000 1.010 158 I CA -0.452 60.790 61.300 -0.097 0.000 1.098 158 I CB 1.592 39.505 38.000 -0.145 0.000 1.266 158 I HN 0.380 nan 8.210 nan 0.000 0.434 159 F N 4.516 124.396 119.950 -0.117 0.000 2.563 159 F HA 0.538 5.064 4.527 -0.001 0.000 0.316 159 F C -0.664 175.027 175.800 -0.180 0.000 1.076 159 F CA -0.680 57.295 58.000 -0.041 0.000 0.921 159 F CB 1.730 40.720 39.000 -0.017 0.000 1.209 159 F HN 0.193 nan 8.300 nan 0.000 0.462 160 Y N 0.427 120.855 120.300 0.213 0.000 2.387 160 Y HA 0.426 4.976 4.550 -0.000 0.000 0.336 160 Y C 0.819 176.789 175.900 0.117 0.000 1.067 160 Y CA -1.014 57.163 58.100 0.129 0.000 1.114 160 Y CB 1.578 40.078 38.460 0.067 0.000 1.208 160 Y HN 0.670 nan 8.280 nan 0.000 0.458 161 T N -1.598 113.072 114.554 0.192 0.000 2.715 161 T HA 0.605 4.955 4.350 -0.001 0.000 0.320 161 T C 0.655 175.431 174.700 0.126 0.000 1.046 161 T CA -0.332 61.839 62.100 0.118 0.000 0.983 161 T CB 0.238 69.134 68.868 0.047 0.000 1.183 161 T HN 0.810 nan 8.240 nan 0.000 0.522 167 L N 1.471 122.691 121.223 -0.006 0.000 2.473 167 L HA 0.286 4.625 4.340 -0.001 0.000 0.268 167 L C -1.622 175.258 176.870 0.017 0.000 1.215 167 L CA -1.143 53.698 54.840 0.001 0.000 0.823 167 L CB 0.595 42.656 42.059 0.003 0.000 1.099 167 L HN 0.263 nan 8.230 nan 0.000 0.483 168 P HA 0.075 nan 4.420 nan 0.000 0.265 168 P C -1.287 176.113 177.300 0.166 0.000 1.193 168 P CA 0.023 63.186 63.100 0.105 0.000 0.765 168 P CB 0.401 32.189 31.700 0.147 0.000 0.823 169 K N 1.553 121.994 120.400 0.068 0.000 2.118 169 K HA 0.631 4.951 4.320 -0.001 0.000 0.267 169 K C -0.077 176.542 176.600 0.031 0.000 0.991 169 K CA -0.698 55.588 56.287 -0.002 0.000 0.916 169 K CB 1.038 33.318 32.500 -0.368 0.000 1.041 169 K HN 0.353 nan 8.250 nan 0.000 0.455 170 A N 1.829 124.626 122.820 -0.038 0.000 2.366 170 A HA 0.515 4.834 4.320 -0.001 0.000 0.322 170 A C -0.243 177.320 177.584 -0.035 0.000 1.397 170 A CA -0.640 51.131 52.037 -0.444 0.000 0.984 170 A CB -0.099 18.640 19.000 -0.435 0.000 1.149 170 A HN 0.712 nan 8.150 nan 0.000 0.540 171 A N 3.646 126.466 122.820 0.000 0.000 2.354 171 A HA 0.572 4.891 4.320 -0.001 0.000 0.281 171 A C 0.020 177.677 177.584 0.122 0.000 1.174 171 A CA -0.275 51.849 52.037 0.145 0.000 0.828 171 A CB -0.241 18.741 19.000 -0.030 0.000 1.099 171 A HN 0.758 nan 8.150 nan 0.000 0.516 172 I N 4.016 124.686 120.570 0.167 0.000 2.352 172 I HA 0.146 4.316 4.170 -0.001 0.000 0.290 172 I C -0.428 175.773 176.117 0.140 0.000 1.036 172 I CA -0.283 61.080 61.300 0.106 0.000 1.336 172 I CB 0.776 38.797 38.000 0.035 0.000 1.407 172 I HN 0.400 nan 8.210 nan 0.000 0.497 173 I N 9.283 129.969 120.570 0.192 0.000 2.306 173 I HA 0.312 4.481 4.170 -0.001 0.000 0.288 173 I C -1.967 174.257 176.117 0.179 0.000 1.036 173 I CA -2.829 58.594 61.300 0.205 0.000 1.221 173 I CB 0.445 38.668 38.000 0.371 0.000 1.385 173 I HN 0.259 nan 8.210 nan 0.000 0.472 174 P HA 0.108 nan 4.420 nan 0.000 0.272 174 P C 0.419 177.778 177.300 0.099 0.000 1.240 174 P CA -0.301 62.833 63.100 0.056 0.000 0.791 174 P CB 1.133 32.831 31.700 -0.003 0.000 0.978 175 Q N 1.546 121.403 119.800 0.095 0.000 2.112 175 Q HA -0.197 4.142 4.340 -0.001 0.000 0.206 175 Q C 1.999 178.060 176.000 0.102 0.000 0.987 175 Q CA 1.956 57.841 55.803 0.137 0.000 0.858 175 Q CB -0.580 28.226 28.738 0.113 0.000 0.905 175 Q HN 0.621 nan 8.270 nan 0.000 0.420 176 R N 0.037 120.562 120.500 0.041 0.000 2.339 176 R HA 0.152 4.492 4.340 -0.001 0.000 0.199 176 R C 1.668 177.939 176.300 -0.048 0.000 1.018 176 R CA 0.895 56.998 56.100 0.004 0.000 1.036 176 R CB -0.122 30.172 30.300 -0.011 0.000 0.899 176 R HN 0.101 nan 8.270 nan 0.000 0.473 177 A N 1.048 123.829 122.820 -0.066 0.000 2.030 177 A HA 0.278 4.597 4.320 -0.001 0.000 0.215 177 A C 2.405 179.818 177.584 -0.286 0.000 1.164 177 A CA 0.601 52.524 52.037 -0.190 0.000 0.697 177 A CB -0.306 18.567 19.000 -0.212 0.000 0.827 177 A HN 0.452 nan 8.150 nan 0.000 0.457 178 A N 0.275 123.002 122.820 -0.155 0.000 1.927 178 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 178 A C 1.979 179.494 177.584 -0.114 0.000 1.185 178 A CA 2.052 54.024 52.037 -0.109 0.000 0.639 178 A CB -0.573 18.536 19.000 0.183 0.000 0.820 178 A HN 0.645 nan 8.150 nan 0.000 0.451 179 E N -0.196 119.952 120.200 -0.087 0.000 2.028 179 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 179 E C 2.301 178.811 176.600 -0.150 0.000 0.988 179 E CA 1.561 57.924 56.400 -0.061 0.000 0.799 179 E CB -0.092 29.600 29.700 -0.014 0.000 0.755 179 E HN 0.780 nan 8.360 nan 0.000 0.447 180 S N 0.051 115.531 115.700 -0.366 0.000 2.461 180 S HA -0.027 4.443 4.470 -0.001 0.000 0.228 180 S C 1.798 176.143 174.600 -0.425 0.000 1.005 180 S CA 0.265 57.978 58.200 -0.811 0.000 0.942 180 S CB -0.157 62.173 63.200 -1.449 0.000 0.776 180 S HN 0.176 nan 8.310 nan 0.000 0.514 181 R N 0.345 120.649 120.500 -0.327 0.000 2.237 181 R HA 0.095 4.435 4.340 -0.001 0.000 0.219 181 R C 1.629 177.984 176.300 0.092 0.000 1.080 181 R CA 1.025 56.999 56.100 -0.211 0.000 0.995 181 R CB -0.281 29.583 30.300 -0.727 0.000 0.875 181 R HN 0.374 nan 8.270 nan 0.000 0.462 182 V N 0.217 120.139 119.914 0.013 0.000 2.581 182 V HA -0.047 4.073 4.120 -0.001 0.000 0.240 182 V C 1.841 177.905 176.094 -0.049 0.000 1.054 182 V CA 0.876 63.173 62.300 -0.005 0.000 1.076 182 V CB -0.002 31.815 31.823 -0.010 0.000 0.748 182 V HN 0.208 nan 8.190 nan 0.000 0.474 183 L N 0.458 121.712 121.223 0.052 0.000 2.551 183 L HA -0.065 4.275 4.340 -0.001 0.000 0.228 183 L C 2.289 179.302 176.870 0.239 0.000 1.153 183 L CA 1.014 55.934 54.840 0.133 0.000 0.851 183 L CB -0.538 41.682 42.059 0.268 0.000 0.959 183 L HN 0.567 nan 8.230 nan 0.000 0.451 184 F N -1.488 118.601 119.950 0.232 0.000 2.407 184 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 184 F C 2.186 178.022 175.800 0.060 0.000 1.097 184 F CA 0.771 58.906 58.000 0.225 0.000 1.422 184 F CB -0.408 38.708 39.000 0.192 0.000 1.067 184 F HN -0.044 nan 8.300 nan 0.000 0.539 185 M N 0.190 119.240 119.600 -0.917 0.000 2.374 185 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 185 M C 2.314 178.407 176.300 -0.345 0.000 1.067 185 M CA 1.040 55.903 55.300 -0.729 0.000 1.103 185 M CB -1.222 31.023 32.600 -0.593 0.000 1.402 185 M HN 0.464 nan 8.290 nan 0.000 0.444 186 S N -0.006 115.562 115.700 -0.220 0.000 2.355 186 S HA -0.066 4.403 4.470 -0.001 0.000 0.216 186 S C 1.996 176.520 174.600 -0.126 0.000 1.037 186 S CA 1.666 59.781 58.200 -0.143 0.000 0.955 186 S CB -0.172 62.975 63.200 -0.088 0.000 0.877 186 S HN 0.599 nan 8.310 nan 0.000 0.488 187 T N -0.533 113.955 114.554 -0.109 0.000 2.821 187 T HA -0.026 4.324 4.350 -0.001 0.000 0.267 187 T C 1.780 176.397 174.700 -0.138 0.000 1.046 187 T CA 1.245 63.252 62.100 -0.155 0.000 1.139 187 T CB -0.394 68.334 68.868 -0.234 0.000 0.871 187 T HN 0.261 nan 8.240 nan 0.000 0.454 188 Q N 0.237 119.943 119.800 -0.157 0.000 2.226 188 Q HA 0.308 4.647 4.340 -0.001 0.000 0.199 188 Q C 2.431 178.347 176.000 -0.140 0.000 0.945 188 Q CA 0.775 56.353 55.803 -0.376 0.000 0.861 188 Q CB -0.060 28.372 28.738 -0.509 0.000 0.953 188 Q HN 0.451 nan 8.270 nan 0.000 0.490 189 V N -1.449 118.391 119.914 -0.124 0.000 3.174 189 V HA 0.245 4.365 4.120 -0.001 0.000 0.254 189 V C 1.172 177.201 176.094 -0.109 0.000 1.120 189 V CA 1.032 63.272 62.300 -0.100 0.000 1.114 189 V CB 0.266 31.975 31.823 -0.190 0.000 0.756 189 V HN 0.529 nan 8.190 nan 0.000 0.467 190 G N 0.329 109.053 108.800 -0.127 0.000 2.144 190 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 190 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 190 G C 0.087 174.887 174.900 -0.167 0.000 0.988 190 G CA -0.125 44.937 45.100 -0.065 0.000 0.659 190 G HN 0.379 nan 8.290 nan 0.000 0.522 191 L N 1.131 122.172 121.223 -0.303 0.000 2.456 191 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 191 L C 1.326 178.154 176.870 -0.069 0.000 1.189 191 L CA -0.036 54.661 54.840 -0.238 0.000 0.846 191 L CB 0.488 42.394 42.059 -0.256 0.000 1.111 191 L HN 0.543 nan 8.230 nan 0.000 0.475 192 R N 1.575 122.100 120.500 0.041 0.000 2.912 192 R HA 0.421 4.761 4.340 -0.001 0.000 0.262 192 R C -0.373 176.008 176.300 0.136 0.000 1.057 192 R CA -0.975 55.177 56.100 0.086 0.000 0.981 192 R CB 1.345 31.700 30.300 0.092 0.000 1.201 192 R HN 0.549 nan 8.270 nan 0.000 0.484 193 H N -0.031 119.071 119.070 0.054 0.000 2.790 193 H HA 0.357 4.912 4.556 -0.001 0.000 0.358 193 H C -0.277 175.134 175.328 0.138 0.000 1.103 193 H CA 1.764 57.837 56.048 0.040 0.000 1.426 193 H CB 0.763 30.527 29.762 0.004 0.000 1.424 193 H HN 0.913 nan 8.280 nan 0.000 0.599 194 G N 3.893 112.226 108.800 -0.778 0.000 2.329 194 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.308 194 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.308 194 G C 0.131 174.781 174.900 -0.418 0.000 1.587 194 G CA -0.608 44.255 45.100 -0.395 0.000 0.978 194 G HN 0.628 nan 8.290 nan 0.000 0.685 195 R N 0.345 120.648 120.500 -0.329 0.000 2.316 195 R HA -0.029 4.311 4.340 -0.001 0.000 0.202 195 R C 2.025 178.212 176.300 -0.188 0.000 1.029 195 R CA 1.033 56.833 56.100 -0.501 0.000 1.018 195 R CB -0.180 29.674 30.300 -0.744 0.000 0.888 195 R HN 0.792 nan 8.270 nan 0.000 0.471 196 H N 0.138 119.141 119.070 -0.112 0.000 2.489 196 H HA 0.020 4.576 4.556 -0.001 0.000 0.293 196 H C 0.078 175.415 175.328 0.015 0.000 1.066 196 H CA 0.331 56.367 56.048 -0.020 0.000 1.305 196 H CB -0.474 29.279 29.762 -0.016 0.000 1.386 196 H HN -0.028 nan 8.280 nan 0.000 0.551 197 N N 1.852 120.168 118.700 -0.639 0.000 2.427 197 N HA 0.073 4.813 4.740 -0.001 0.000 0.269 197 N C -0.904 174.549 175.510 -0.095 0.000 1.235 197 N CA 0.168 52.980 53.050 -0.397 0.000 0.934 197 N CB 1.449 39.695 38.487 -0.401 0.000 1.121 197 N HN 0.058 nan 8.380 nan 0.000 0.480 198 V N 3.682 123.578 119.914 -0.031 0.000 2.376 198 V HA 0.262 4.381 4.120 -0.001 0.000 0.287 198 V C 0.074 176.173 176.094 0.008 0.000 1.015 198 V CA -0.756 61.549 62.300 0.009 0.000 0.834 198 V CB 1.865 33.700 31.823 0.020 0.000 1.001 198 V HN 0.204 nan 8.190 nan 0.000 0.428 199 V N 6.178 126.097 119.914 0.009 0.000 2.384 199 V HA 0.404 4.524 4.120 -0.001 0.000 0.287 199 V C -0.194 175.862 176.094 -0.064 0.000 1.020 199 V CA -0.658 61.653 62.300 0.019 0.000 0.850 199 V CB 1.750 33.622 31.823 0.082 0.000 0.987 199 V HN 0.667 nan 8.190 nan 0.000 0.436 200 L N 4.894 126.086 121.223 -0.052 0.000 2.315 200 L HA 0.538 4.878 4.340 -0.001 0.000 0.283 200 L C 1.180 177.953 176.870 -0.163 0.000 1.089 200 L CA 0.484 55.249 54.840 -0.126 0.000 0.833 200 L CB 0.973 43.005 42.059 -0.045 0.000 1.170 200 L HN 0.714 nan 8.230 nan 0.000 0.442 201 G N 6.020 114.568 108.800 -0.419 0.000 3.197 201 G HA2 0.143 4.103 3.960 -0.001 0.000 0.257 201 G HA3 0.143 4.103 3.960 -0.001 0.000 0.257 201 G C 0.919 175.777 174.900 -0.071 0.000 0.835 201 G CA -0.224 44.673 45.100 -0.338 0.000 2.001 201 G HN 0.759 nan 8.290 nan 0.000 0.625 202 L N 0.032 121.243 121.223 -0.020 0.000 2.179 202 L HA 0.147 4.487 4.340 -0.001 0.000 0.208 202 L C 1.514 178.410 176.870 0.043 0.000 1.096 202 L CA 0.376 55.198 54.840 -0.030 0.000 0.779 202 L CB -0.204 41.778 42.059 -0.129 0.000 0.922 202 L HN 0.312 nan 8.230 nan 0.000 0.443 203 M N 1.363 121.000 119.600 0.061 0.000 2.233 203 M HA 0.223 4.703 4.480 -0.001 0.000 0.350 203 M C -2.097 174.191 176.300 -0.019 0.000 1.176 203 M CA -2.179 53.127 55.300 0.009 0.000 1.150 203 M CB 0.315 32.873 32.600 -0.070 0.000 1.530 203 M HN -0.213 nan 8.290 nan 0.000 0.459 204 P HA 0.125 nan 4.420 nan 0.000 0.272 204 P C 0.380 177.518 177.300 -0.270 0.000 1.223 204 P CA -0.165 62.782 63.100 -0.255 0.000 0.784 204 P CB 0.785 32.100 31.700 -0.640 0.000 0.923 205 L N 1.572 122.733 121.223 -0.103 0.000 2.478 205 L HA -0.073 4.267 4.340 -0.001 0.000 0.223 205 L C 2.099 179.044 176.870 0.125 0.000 1.140 205 L CA 0.837 55.712 54.840 0.057 0.000 0.842 205 L CB -0.857 41.274 42.059 0.120 0.000 0.953 205 L HN 0.471 nan 8.230 nan 0.000 0.452 206 Y N -3.320 117.097 120.300 0.194 0.000 2.546 206 Y HA 0.143 4.693 4.550 -0.001 0.000 0.287 206 Y C 1.199 177.345 175.900 0.409 0.000 1.158 206 Y CA -0.422 57.808 58.100 0.215 0.000 1.307 206 Y CB -0.654 37.880 38.460 0.122 0.000 1.036 206 Y HN 0.052 nan 8.280 nan 0.000 0.532 207 H N 1.848 120.889 119.070 -0.048 0.000 2.458 207 H HA 0.199 4.755 4.556 -0.000 0.000 0.330 207 H C 1.416 176.679 175.328 -0.109 0.000 1.111 207 H CA 0.166 56.211 56.048 -0.006 0.000 1.245 207 H CB 2.492 32.144 29.762 -0.184 0.000 1.456 207 H HN 0.200 nan 8.280 nan 0.000 0.488 208 V N 3.281 122.722 119.914 -0.788 0.000 2.439 208 V HA -0.223 3.897 4.120 -0.001 0.000 0.253 208 V C 1.922 177.911 176.094 -0.175 0.000 1.074 208 V CA 1.754 63.640 62.300 -0.691 0.000 1.076 208 V CB -1.201 30.205 31.823 -0.695 0.000 0.664 208 V HN 0.466 nan 8.190 nan 0.000 0.461 209 V N 1.802 121.693 119.914 -0.037 0.000 2.283 209 V HA -0.033 4.087 4.120 -0.001 0.000 0.243 209 V C 3.020 179.027 176.094 -0.145 0.000 1.039 209 V CA 2.197 64.428 62.300 -0.115 0.000 1.016 209 V CB -1.610 29.994 31.823 -0.364 0.000 0.650 209 V HN 0.625 nan 8.190 nan 0.000 0.449 210 G N -0.837 107.930 108.800 -0.057 0.000 2.505 210 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.220 210 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.220 210 G C 1.539 176.424 174.900 -0.026 0.000 1.145 210 G CA 1.499 46.576 45.100 -0.038 0.000 0.761 210 G HN 0.483 nan 8.290 nan 0.000 0.571 211 F N -0.038 119.781 119.950 -0.219 0.000 2.164 211 F HA 0.327 4.854 4.527 -0.001 0.000 0.287 211 F C 2.315 177.836 175.800 -0.465 0.000 1.086 211 F CA 0.625 58.398 58.000 -0.378 0.000 1.249 211 F CB -0.146 38.593 39.000 -0.437 0.000 1.059 211 F HN 0.094 nan 8.300 nan 0.000 0.490 212 F N 0.223 119.969 119.950 -0.340 0.000 2.147 212 F HA 0.104 4.630 4.527 -0.001 0.000 0.291 212 F C 2.538 178.182 175.800 -0.261 0.000 1.093 212 F CA 1.060 58.830 58.000 -0.384 0.000 1.263 212 F CB -1.095 37.772 39.000 -0.222 0.000 1.036 212 F HN 0.020 nan 8.300 nan 0.000 0.481 213 A N -0.566 122.282 122.820 0.047 0.000 2.066 213 A HA 0.046 4.366 4.320 -0.001 0.000 0.218 213 A C 1.938 179.492 177.584 -0.049 0.000 1.157 213 A CA 1.597 53.635 52.037 0.002 0.000 0.670 213 A CB -0.644 18.418 19.000 0.103 0.000 0.804 213 A HN 0.203 nan 8.150 nan 0.000 0.453 214 V N -1.441 118.425 119.914 -0.080 0.000 2.870 214 V HA 0.058 4.178 4.120 -0.001 0.000 0.232 214 V C 2.118 178.185 176.094 -0.045 0.000 1.161 214 V CA 0.802 63.104 62.300 0.004 0.000 1.204 214 V CB -0.781 31.083 31.823 0.069 0.000 1.003 214 V HN 0.436 nan 8.190 nan 0.000 0.499 215 L N 0.654 121.715 121.223 -0.269 0.000 1.973 215 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 215 L C 2.318 178.900 176.870 -0.480 0.000 1.073 215 L CA 2.189 56.669 54.840 -0.601 0.000 0.746 215 L CB -0.616 40.943 42.059 -0.833 0.000 0.891 215 L HN 0.120 nan 8.230 nan 0.000 0.433 216 V N 0.441 119.994 119.914 -0.601 0.000 2.295 216 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 216 V C 2.853 178.816 176.094 -0.219 0.000 1.049 216 V CA 1.656 63.680 62.300 -0.461 0.000 1.024 216 V CB -1.525 29.940 31.823 -0.597 0.000 0.648 216 V HN 0.642 nan 8.190 nan 0.000 0.447 217 A N 0.122 122.837 122.820 -0.175 0.000 1.917 217 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 217 A C 2.437 179.980 177.584 -0.068 0.000 1.182 217 A CA 2.436 54.411 52.037 -0.103 0.000 0.633 217 A CB -0.847 18.086 19.000 -0.111 0.000 0.819 217 A HN 0.603 nan 8.150 nan 0.000 0.448 218 A N -0.339 122.450 122.820 -0.051 0.000 1.877 218 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 218 A C 2.181 179.784 177.584 0.032 0.000 1.186 218 A CA 1.575 53.617 52.037 0.009 0.000 0.620 218 A CB -0.602 18.460 19.000 0.105 0.000 0.822 218 A HN 0.490 nan 8.150 nan 0.000 0.443 219 L N -1.063 120.167 121.223 0.011 0.000 2.109 219 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 219 L C 2.917 179.885 176.870 0.164 0.000 1.086 219 L CA 0.938 55.844 54.840 0.111 0.000 0.760 219 L CB -0.480 41.571 42.059 -0.012 0.000 0.910 219 L HN 0.416 nan 8.230 nan 0.000 0.437 220 A N -0.236 122.614 122.820 0.051 0.000 2.119 220 A HA 0.034 4.353 4.320 -0.001 0.000 0.216 220 A C 1.962 179.584 177.584 0.062 0.000 1.152 220 A CA 0.735 52.806 52.037 0.057 0.000 0.708 220 A CB -0.371 18.643 19.000 0.024 0.000 0.805 220 A HN 0.392 nan 8.150 nan 0.000 0.460 221 L N -0.645 120.588 121.223 0.017 0.000 2.629 221 L HA 0.105 4.445 4.340 -0.001 0.000 0.230 221 L C -0.327 176.423 176.870 -0.201 0.000 1.151 221 L CA -0.056 54.762 54.840 -0.037 0.000 0.924 221 L CB -0.208 41.797 42.059 -0.089 0.000 1.137 221 L HN 0.223 nan 8.230 nan 0.000 0.457 222 D N -0.495 119.847 120.400 -0.097 0.000 2.981 222 D HA -0.141 4.499 4.640 -0.001 0.000 0.223 222 D C 0.668 176.880 176.300 -0.147 0.000 1.151 222 D CA 1.089 54.951 54.000 -0.229 0.000 0.827 222 D CB -1.257 39.344 40.800 -0.331 0.000 1.101 222 D HN 0.491 nan 8.370 nan 0.000 0.426 223 G N -1.398 107.421 108.800 0.032 0.000 2.782 223 G HA2 0.679 4.639 3.960 -0.001 0.000 0.201 223 G HA3 0.679 4.639 3.960 -0.001 0.000 0.201 223 G C -0.365 174.712 174.900 0.295 0.000 1.374 223 G CA -0.136 45.026 45.100 0.104 0.000 1.039 223 G HN 0.101 nan 8.290 nan 0.000 0.576 224 T N -0.349 114.311 114.554 0.177 0.000 2.848 224 T HA 0.382 4.731 4.350 -0.001 0.000 0.285 224 T C -1.708 173.058 174.700 0.111 0.000 0.995 224 T CA -0.119 62.054 62.100 0.121 0.000 0.970 224 T CB 1.522 70.425 68.868 0.057 0.000 0.976 224 T HN 0.386 nan 8.240 nan 0.000 0.441 225 Y N 3.628 123.908 120.300 -0.032 0.000 2.335 225 Y HA 0.552 5.102 4.550 -0.000 0.000 0.339 225 Y C -0.595 175.288 175.900 -0.028 0.000 0.987 225 Y CA -0.854 57.225 58.100 -0.035 0.000 1.140 225 Y CB 0.667 39.094 38.460 -0.055 0.000 1.173 225 Y HN 0.394 nan 8.280 nan 0.000 0.486 226 V N 7.830 127.493 119.914 -0.418 0.000 2.385 226 V HA 0.175 4.294 4.120 -0.001 0.000 0.269 226 V C -0.152 175.599 176.094 -0.572 0.000 1.043 226 V CA -0.815 61.276 62.300 -0.349 0.000 0.906 226 V CB 0.682 32.376 31.823 -0.214 0.000 0.995 226 V HN 0.602 nan 8.190 nan 0.000 0.467 227 V N 6.214 125.931 119.914 -0.327 0.000 2.555 227 V HA 0.235 4.355 4.120 -0.001 0.000 0.286 227 V C 0.156 176.172 176.094 -0.130 0.000 1.044 227 V CA -0.160 62.014 62.300 -0.209 0.000 1.026 227 V CB 1.504 33.339 31.823 0.021 0.000 0.981 227 V HN 0.618 nan 8.190 nan 0.000 0.480 228 V N 4.791 124.653 119.914 -0.086 0.000 2.349 228 V HA 0.294 4.413 4.120 -0.001 0.000 0.284 228 V C 0.702 176.820 176.094 0.040 0.000 1.014 228 V CA -0.396 61.891 62.300 -0.021 0.000 0.826 228 V CB 1.109 32.922 31.823 -0.017 0.000 1.009 228 V HN 0.957 nan 8.190 nan 0.000 0.431 229 E N 2.512 122.739 120.200 0.044 0.000 2.107 229 E HA 0.008 4.358 4.350 -0.001 0.000 0.191 229 E C 0.692 177.342 176.600 0.085 0.000 0.982 229 E CA 0.746 57.187 56.400 0.069 0.000 0.809 229 E CB 0.612 30.346 29.700 0.057 0.000 0.756 229 E HN 0.709 nan 8.360 nan 0.000 0.459 230 E N -0.002 120.242 120.200 0.074 0.000 2.290 230 E HA 0.130 4.480 4.350 -0.001 0.000 0.274 230 E C -1.609 175.049 176.600 0.097 0.000 0.889 230 E CA -0.602 55.854 56.400 0.093 0.000 0.760 230 E CB 1.252 30.985 29.700 0.055 0.000 1.206 230 E HN -0.075 nan 8.360 nan 0.000 0.419 231 F N 5.067 125.022 119.950 0.008 0.000 2.438 231 F HA 0.357 4.883 4.527 -0.001 0.000 0.360 231 F C -0.589 175.202 175.800 -0.016 0.000 1.118 231 F CA -0.137 57.839 58.000 -0.040 0.000 1.164 231 F CB 0.304 39.265 39.000 -0.066 0.000 1.131 231 F HN 0.302 nan 8.300 nan 0.000 0.527 232 R N 7.524 127.554 120.500 -0.784 0.000 2.513 232 R HA 0.293 4.633 4.340 -0.001 0.000 0.301 232 R C -2.113 173.633 176.300 -0.922 0.000 0.968 232 R CA -1.740 53.913 56.100 -0.745 0.000 0.872 232 R CB 1.576 31.681 30.300 -0.326 0.000 1.177 232 R HN 0.342 nan 8.270 nan 0.000 0.444 233 P HA -0.166 nan 4.420 nan 0.000 0.213 233 P C 1.267 178.437 177.300 -0.216 0.000 1.170 233 P CA 0.929 63.752 63.100 -0.462 0.000 0.898 233 P CB 0.238 31.834 31.700 -0.173 0.000 0.787 234 V N 0.248 120.059 119.914 -0.173 0.000 2.343 234 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 234 V C 2.270 178.300 176.094 -0.107 0.000 1.051 234 V CA 2.284 64.520 62.300 -0.107 0.000 1.036 234 V CB -1.539 30.233 31.823 -0.084 0.000 0.654 234 V HN 0.128 nan 8.190 nan 0.000 0.451 235 D N 0.582 120.896 120.400 -0.144 0.000 2.104 235 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 235 D C 2.107 178.348 176.300 -0.098 0.000 0.994 235 D CA 1.680 55.609 54.000 -0.118 0.000 0.830 235 D CB -0.172 40.546 40.800 -0.138 0.000 0.959 235 D HN 0.380 nan 8.370 nan 0.000 0.452 236 A N -0.114 122.632 122.820 -0.124 0.000 1.972 236 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 236 A C 2.359 179.933 177.584 -0.016 0.000 1.169 236 A CA 0.872 52.881 52.037 -0.047 0.000 0.635 236 A CB -0.683 18.334 19.000 0.028 0.000 0.810 236 A HN 0.387 nan 8.150 nan 0.000 0.446 237 L N -1.246 119.963 121.223 -0.024 0.000 2.156 237 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 237 L C 2.825 179.686 176.870 -0.014 0.000 1.095 237 L CA 1.204 56.040 54.840 -0.007 0.000 0.770 237 L CB -0.503 41.552 42.059 -0.006 0.000 0.914 237 L HN 0.500 nan 8.230 nan 0.000 0.439 238 Q N -0.059 119.724 119.800 -0.029 0.000 2.084 238 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 238 Q C 2.365 178.351 176.000 -0.023 0.000 0.978 238 Q CA 1.353 57.140 55.803 -0.026 0.000 0.844 238 Q CB -0.069 28.648 28.738 -0.034 0.000 0.898 238 Q HN 0.500 nan 8.270 nan 0.000 0.426 239 L N -0.326 120.881 121.223 -0.028 0.000 2.042 239 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 239 L C 2.354 179.214 176.870 -0.017 0.000 1.076 239 L CA 0.842 55.665 54.840 -0.027 0.000 0.749 239 L CB -0.690 41.346 42.059 -0.037 0.000 0.893 239 L HN 0.121 nan 8.230 nan 0.000 0.432 240 V N -0.263 119.646 119.914 -0.007 0.000 2.250 240 V HA -0.398 3.721 4.120 -0.001 0.000 0.250 240 V C 2.551 178.648 176.094 0.004 0.000 1.060 240 V CA 2.249 64.551 62.300 0.004 0.000 1.030 240 V CB -0.633 31.199 31.823 0.015 0.000 0.643 240 V HN 0.558 nan 8.190 nan 0.000 0.445 241 Q N -0.687 119.113 119.800 0.000 0.000 2.050 241 Q HA -0.273 4.067 4.340 -0.001 0.000 0.202 241 Q C 2.435 178.434 176.000 -0.001 0.000 0.980 241 Q CA 2.181 57.985 55.803 0.001 0.000 0.840 241 Q CB -0.125 28.612 28.738 -0.002 0.000 0.898 241 Q HN 0.741 nan 8.270 nan 0.000 0.424 242 Q N -0.535 119.261 119.800 -0.007 0.000 2.123 242 Q HA -0.125 4.215 4.340 -0.001 0.000 0.199 242 Q C 1.166 177.161 176.000 -0.008 0.000 0.966 242 Q CA 0.946 56.743 55.803 -0.009 0.000 0.845 242 Q CB 0.350 29.079 28.738 -0.015 0.000 0.907 242 Q HN 0.280 nan 8.270 nan 0.000 0.439 243 E N 0.147 120.341 120.200 -0.010 0.000 2.474 243 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 243 E C -0.234 176.368 176.600 0.003 0.000 1.041 243 E CA 0.130 56.524 56.400 -0.010 0.000 0.874 243 E CB 0.583 30.269 29.700 -0.024 0.000 0.914 243 E HN 0.255 nan 8.360 nan 0.000 0.498 244 Q N -0.119 119.687 119.800 0.009 0.000 2.459 244 Q HA -0.137 4.202 4.340 -0.001 0.000 0.314 244 Q C -0.525 175.492 176.000 0.028 0.000 1.432 244 Q CA 0.271 56.087 55.803 0.022 0.000 0.823 244 Q CB -2.530 26.227 28.738 0.032 0.000 1.124 244 Q HN 0.048 nan 8.270 nan 0.000 0.392 245 V N 1.225 121.151 119.914 0.021 0.000 2.572 245 V HA 0.089 4.208 4.120 -0.001 0.000 0.291 245 V C 1.905 178.028 176.094 0.048 0.000 1.039 245 V CA 1.210 63.526 62.300 0.026 0.000 1.055 245 V CB 1.335 33.169 31.823 0.017 0.000 0.969 245 V HN 0.705 nan 8.190 nan 0.000 0.482 246 T N -0.034 114.559 114.554 0.066 0.000 3.039 246 T HA 0.133 4.483 4.350 -0.001 0.000 0.250 246 T C 0.637 175.436 174.700 0.165 0.000 1.052 246 T CA 0.498 62.665 62.100 0.112 0.000 1.125 246 T CB 0.255 69.208 68.868 0.142 0.000 0.908 246 T HN 0.752 nan 8.240 nan 0.000 0.473 247 S N 1.310 117.091 115.700 0.136 0.000 2.546 247 S HA 0.740 5.210 4.470 -0.001 0.000 0.274 247 S C -1.181 173.487 174.600 0.114 0.000 1.121 247 S CA -1.150 57.145 58.200 0.159 0.000 0.887 247 S CB 2.096 65.376 63.200 0.134 0.000 1.094 247 S HN 0.760 nan 8.310 nan 0.000 0.474 248 L N -0.217 121.082 121.223 0.127 0.000 2.422 248 L HA 0.919 5.259 4.340 -0.001 0.000 0.264 248 L C -1.579 175.406 176.870 0.190 0.000 0.984 248 L CA -0.840 54.085 54.840 0.141 0.000 0.819 248 L CB 1.633 43.756 42.059 0.107 0.000 1.330 248 L HN 0.665 nan 8.230 nan 0.000 0.410 249 F N 2.876 122.876 119.950 0.083 0.000 2.427 249 F HA 0.907 5.434 4.527 -0.001 0.000 0.348 249 F C -0.173 175.689 175.800 0.103 0.000 1.125 249 F CA -0.463 57.599 58.000 0.104 0.000 0.989 249 F CB 1.465 40.515 39.000 0.082 0.000 1.165 249 F HN 0.986 nan 8.300 nan 0.000 0.442 250 A N 2.765 125.885 122.820 0.501 0.000 2.566 250 A HA 0.708 5.027 4.320 -0.001 0.000 0.292 250 A C -0.477 177.278 177.584 0.285 0.000 1.112 250 A CA -0.417 51.822 52.037 0.338 0.000 0.707 250 A CB 1.029 20.149 19.000 0.201 0.000 1.302 250 A HN 0.724 nan 8.150 nan 0.000 0.409 251 T N -0.943 113.686 114.554 0.124 0.000 2.828 251 T HA 0.442 4.791 4.350 -0.001 0.000 0.290 251 T C -1.886 172.791 174.700 -0.038 0.000 1.019 251 T CA -1.085 60.999 62.100 -0.026 0.000 1.031 251 T CB 0.634 69.335 68.868 -0.279 0.000 1.001 251 T HN 0.238 nan 8.240 nan 0.000 0.531 252 P HA -0.120 nan 4.420 nan 0.000 0.216 252 P C 1.611 178.852 177.300 -0.098 0.000 1.154 252 P CA 1.351 64.400 63.100 -0.084 0.000 0.865 252 P CB -0.232 31.444 31.700 -0.041 0.000 0.789 253 T N -2.231 112.248 114.554 -0.125 0.000 2.737 253 T HA -0.158 4.192 4.350 -0.001 0.000 0.265 253 T C 1.505 176.162 174.700 -0.071 0.000 1.038 253 T CA 1.322 63.357 62.100 -0.109 0.000 1.144 253 T CB -1.105 67.669 68.868 -0.157 0.000 0.866 253 T HN 0.353 nan 8.240 nan 0.000 0.434 254 H N 0.522 119.463 119.070 -0.214 0.000 2.353 254 H HA -0.008 4.548 4.556 -0.001 0.000 0.298 254 H C 2.219 177.479 175.328 -0.113 0.000 1.103 254 H CA 1.022 56.847 56.048 -0.372 0.000 1.293 254 H CB -0.172 29.262 29.762 -0.547 0.000 1.372 254 H HN 0.193 nan 8.280 nan 0.000 0.501 255 L N -0.004 121.231 121.223 0.021 0.000 2.109 255 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 255 L C 2.267 179.132 176.870 -0.009 0.000 1.086 255 L CA 0.924 55.751 54.840 -0.022 0.000 0.760 255 L CB -0.205 41.756 42.059 -0.165 0.000 0.910 255 L HN 0.284 nan 8.230 nan 0.000 0.437 256 D N 0.228 120.619 120.400 -0.015 0.000 2.104 256 D HA -0.205 4.435 4.640 -0.001 0.000 0.194 256 D C 2.153 178.491 176.300 0.064 0.000 0.994 256 D CA 1.566 55.573 54.000 0.011 0.000 0.830 256 D CB 0.134 40.936 40.800 0.004 0.000 0.959 256 D HN 0.251 nan 8.370 nan 0.000 0.452 257 A N 0.102 122.996 122.820 0.124 0.000 1.858 257 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 257 A C 2.540 180.218 177.584 0.157 0.000 1.190 257 A CA 1.423 53.571 52.037 0.186 0.000 0.617 257 A CB -0.977 18.256 19.000 0.389 0.000 0.827 257 A HN 0.357 nan 8.150 nan 0.000 0.443 258 L N -0.750 120.588 121.223 0.192 0.000 2.046 258 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 258 L C 3.097 180.012 176.870 0.076 0.000 1.077 258 L CA 1.083 56.008 54.840 0.141 0.000 0.747 258 L CB -0.526 41.625 42.059 0.153 0.000 0.896 258 L HN 0.438 nan 8.230 nan 0.000 0.432 259 A N -0.099 122.761 122.820 0.067 0.000 1.940 259 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 259 A C 2.481 180.084 177.584 0.030 0.000 1.176 259 A CA 1.883 53.966 52.037 0.078 0.000 0.631 259 A CB -0.675 18.378 19.000 0.089 0.000 0.814 259 A HN 0.417 nan 8.150 nan 0.000 0.446 260 A N -0.518 122.310 122.820 0.014 0.000 1.930 260 A HA 0.327 4.646 4.320 -0.001 0.000 0.215 260 A C 2.452 179.998 177.584 -0.062 0.000 1.176 260 A CA 1.613 53.626 52.037 -0.040 0.000 0.632 260 A CB -0.837 18.162 19.000 -0.003 0.000 0.819 260 A HN 0.965 nan 8.150 nan 0.000 0.445 261 A N 0.040 122.846 122.820 -0.023 0.000 1.930 261 A HA 0.211 4.531 4.320 -0.001 0.000 0.217 261 A C 2.464 180.021 177.584 -0.044 0.000 1.175 261 A CA 1.846 53.864 52.037 -0.032 0.000 0.627 261 A CB -0.927 18.061 19.000 -0.021 0.000 0.815 261 A HN 0.972 nan 8.150 nan 0.000 0.443 262 A N -0.013 122.789 122.820 -0.031 0.000 1.902 262 A HA 0.130 4.449 4.320 -0.001 0.000 0.217 262 A C 2.497 180.028 177.584 -0.089 0.000 1.181 262 A CA 2.169 54.189 52.037 -0.027 0.000 0.623 262 A CB -0.988 18.027 19.000 0.025 0.000 0.818 262 A HN 1.006 nan 8.150 nan 0.000 0.443 263 A N -1.168 121.520 122.820 -0.220 0.000 1.855 263 A HA -0.022 4.297 4.320 -0.001 0.000 0.215 263 A C 2.098 179.556 177.584 -0.210 0.000 1.191 263 A CA 2.120 53.907 52.037 -0.418 0.000 0.613 263 A CB -1.450 17.029 19.000 -0.868 0.000 0.829 263 A HN 1.170 nan 8.150 nan 0.000 0.442 264 H N -1.748 117.233 119.070 -0.148 0.000 2.556 264 H HA 0.571 5.127 4.556 -0.001 0.000 0.273 264 H C 1.714 177.006 175.328 -0.061 0.000 1.030 264 H CA 1.342 57.338 56.048 -0.087 0.000 1.156 264 H CB -0.463 29.259 29.762 -0.067 0.000 1.326 264 H HN 0.768 nan 8.280 nan 0.000 0.609 265 A N -0.727 122.057 122.820 -0.061 0.000 2.010 265 A HA 0.603 4.923 4.320 -0.001 0.000 0.210 265 A C 2.078 179.644 177.584 -0.030 0.000 1.479 265 A CA 1.060 53.074 52.037 -0.038 0.000 0.748 265 A CB -0.434 18.547 19.000 -0.031 0.000 1.125 265 A HN 1.906 nan 8.150 nan 0.000 0.522 266 G N -0.560 108.223 108.800 -0.028 0.000 2.584 266 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.229 266 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.229 266 G C 0.662 175.563 174.900 0.001 0.000 1.320 266 G CA 0.776 45.871 45.100 -0.008 0.000 0.891 266 G HN 1.666 nan 8.290 nan 0.000 0.573 267 S N -0.322 115.382 115.700 0.007 0.000 2.894 267 S HA 0.271 4.741 4.470 -0.001 0.000 0.231 267 S C 2.036 176.638 174.600 0.002 0.000 0.971 267 S CA 1.438 59.643 58.200 0.007 0.000 1.005 267 S CB 0.324 63.530 63.200 0.010 0.000 0.799 267 S HN 1.441 nan 8.310 nan 0.000 0.527 268 S N 0.800 116.499 115.700 -0.003 0.000 2.356 268 S HA 0.110 4.580 4.470 -0.001 0.000 0.223 268 S C 0.576 175.173 174.600 -0.006 0.000 1.032 268 S CA 0.678 58.874 58.200 -0.007 0.000 1.005 268 S CB -0.392 62.800 63.200 -0.012 0.000 0.867 268 S HN 0.644 nan 8.310 nan 0.000 0.449 269 L N 1.566 122.786 121.223 -0.005 0.000 2.289 269 L HA 0.483 4.823 4.340 -0.001 0.000 0.285 269 L C 0.245 177.117 176.870 0.003 0.000 1.049 269 L CA -0.596 54.242 54.840 -0.003 0.000 0.804 269 L CB 1.280 43.336 42.059 -0.004 0.000 1.195 269 L HN 0.048 nan 8.230 nan 0.000 0.428 270 K N 4.908 125.310 120.400 0.004 0.000 2.273 270 K HA 0.490 4.810 4.320 -0.001 0.000 0.287 270 K C 0.032 176.638 176.600 0.010 0.000 1.089 270 K CA -0.136 56.155 56.287 0.007 0.000 0.909 270 K CB -0.028 32.476 32.500 0.006 0.000 1.123 270 K HN 0.713 nan 8.250 nan 0.000 0.473 271 L N 1.425 122.657 121.223 0.014 0.000 2.818 271 L HA 0.132 4.472 4.340 -0.001 0.000 0.243 271 L C 0.558 177.438 176.870 0.017 0.000 1.185 271 L CA -0.404 54.446 54.840 0.018 0.000 0.988 271 L CB 0.533 42.606 42.059 0.024 0.000 1.292 271 L HN 0.660 nan 8.230 nan 0.000 0.519 272 D N 0.279 120.687 120.400 0.013 0.000 2.178 272 D HA -0.161 4.478 4.640 -0.001 0.000 0.202 272 D C 2.256 178.562 176.300 0.009 0.000 0.974 272 D CA 1.661 55.667 54.000 0.010 0.000 0.841 272 D CB 0.061 40.866 40.800 0.009 0.000 0.953 272 D HN 0.377 nan 8.370 nan 0.000 0.478 273 S N 0.255 115.964 115.700 0.016 0.000 2.469 273 S HA -0.127 4.342 4.470 -0.001 0.000 0.238 273 S C 1.018 175.632 174.600 0.024 0.000 0.998 273 S CA -0.101 58.113 58.200 0.024 0.000 0.957 273 S CB -0.354 62.865 63.200 0.031 0.000 0.764 273 S HN 0.130 nan 8.310 nan 0.000 0.514 274 L N 3.053 124.286 121.223 0.017 0.000 2.363 274 L HA 0.393 4.732 4.340 -0.001 0.000 0.286 274 L C 1.058 177.911 176.870 -0.028 0.000 1.106 274 L CA -0.183 54.667 54.840 0.017 0.000 0.859 274 L CB 0.246 42.323 42.059 0.030 0.000 1.223 274 L HN 0.006 nan 8.230 nan 0.000 0.446 275 R N 2.834 123.283 120.500 -0.085 0.000 2.265 275 R HA 0.254 4.594 4.340 -0.001 0.000 0.194 275 R C -0.306 175.669 176.300 -0.542 0.000 0.931 275 R CA 0.293 56.200 56.100 -0.322 0.000 1.032 275 R CB 0.063 30.095 30.300 -0.447 0.000 0.980 275 R HN 0.616 nan 8.270 nan 0.000 0.497 276 H N -0.187 118.904 119.070 0.035 0.000 2.840 276 H HA 0.343 4.899 4.556 -0.000 0.000 0.340 276 H C -0.974 174.369 175.328 0.025 0.000 1.004 276 H CA -0.621 55.440 56.048 0.020 0.000 1.288 276 H CB 2.386 32.151 29.762 0.004 0.000 1.607 276 H HN -0.276 nan 8.280 nan 0.000 0.522 277 V N 4.152 124.143 119.914 0.128 0.000 2.349 277 V HA 0.235 4.355 4.120 -0.001 0.000 0.284 277 V C 0.131 176.282 176.094 0.094 0.000 1.014 277 V CA -0.443 61.937 62.300 0.133 0.000 0.826 277 V CB 1.534 33.450 31.823 0.154 0.000 1.009 277 V HN 0.761 nan 8.190 nan 0.000 0.431 278 T N 5.704 120.217 114.554 -0.069 0.000 2.888 278 T HA 0.884 5.233 4.350 -0.001 0.000 0.284 278 T C -0.668 173.780 174.700 -0.421 0.000 1.017 278 T CA -0.352 61.450 62.100 -0.496 0.000 1.022 278 T CB 1.453 69.768 68.868 -0.922 0.000 1.013 278 T HN 0.554 nan 8.240 nan 0.000 0.465 279 F N -1.371 118.316 119.950 -0.438 0.000 2.688 279 F HA 0.735 5.262 4.527 -0.001 0.000 0.308 279 F C -0.745 175.089 175.800 0.056 0.000 1.117 279 F CA -1.823 56.116 58.000 -0.102 0.000 0.976 279 F CB 0.842 39.832 39.000 -0.017 0.000 1.291 279 F HN 0.624 nan 8.300 nan 0.000 0.439 280 A N 1.186 124.246 122.820 0.399 0.000 2.650 280 A HA 0.594 4.914 4.320 -0.001 0.000 0.320 280 A C 0.632 178.396 177.584 0.301 0.000 1.466 280 A CA 0.162 52.374 52.037 0.292 0.000 1.099 280 A CB -0.821 18.324 19.000 0.243 0.000 1.136 280 A HN 1.431 nan 8.150 nan 0.000 0.532 281 G N 1.033 110.045 108.800 0.353 0.000 3.899 281 G HA2 0.379 4.338 3.960 -0.001 0.000 0.293 281 G HA3 0.379 4.338 3.960 -0.001 0.000 0.293 281 G C 0.981 176.016 174.900 0.223 0.000 1.054 281 G CA 0.709 46.020 45.100 0.353 0.000 0.846 281 G HN 0.897 nan 8.290 nan 0.000 0.525 282 A N 0.864 123.801 122.820 0.196 0.000 1.908 282 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 282 A C 2.505 180.152 177.584 0.106 0.000 1.181 282 A CA 2.459 54.587 52.037 0.151 0.000 0.627 282 A CB -0.697 18.420 19.000 0.195 0.000 0.818 282 A HN 0.621 nan 8.150 nan 0.000 0.445 283 T N -2.984 111.632 114.554 0.103 0.000 3.129 283 T HA 0.293 4.642 4.350 -0.001 0.000 0.251 283 T C 0.630 175.364 174.700 0.057 0.000 1.117 283 T CA 0.356 62.498 62.100 0.071 0.000 1.034 283 T CB -0.518 68.386 68.868 0.061 0.000 0.968 283 T HN 0.413 nan 8.240 nan 0.000 0.526 284 M N 2.963 122.604 119.600 0.068 0.000 2.184 284 M HA 0.359 4.839 4.480 -0.001 0.000 0.351 284 M C -2.585 173.732 176.300 0.029 0.000 1.395 284 M CA -2.089 53.231 55.300 0.033 0.000 1.117 284 M CB 0.799 33.409 32.600 0.017 0.000 1.708 284 M HN -0.116 nan 8.290 nan 0.000 0.468 285 P HA 0.073 nan 4.420 nan 0.000 0.269 285 P C -0.262 177.050 177.300 0.019 0.000 1.209 285 P CA -0.149 62.964 63.100 0.022 0.000 0.776 285 P CB 0.524 32.235 31.700 0.018 0.000 0.876 286 D N 1.611 122.030 120.400 0.032 0.000 2.133 286 D HA -0.194 4.445 4.640 -0.001 0.000 0.195 286 D C 1.916 178.233 176.300 0.028 0.000 0.997 286 D CA 2.017 56.039 54.000 0.037 0.000 0.840 286 D CB -0.464 40.362 40.800 0.042 0.000 0.947 286 D HN 0.388 nan 8.370 nan 0.000 0.452 287 A N 0.514 123.349 122.820 0.026 0.000 1.883 287 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 287 A C 2.596 180.184 177.584 0.007 0.000 1.186 287 A CA 1.643 53.694 52.037 0.023 0.000 0.624 287 A CB -0.812 18.205 19.000 0.029 0.000 0.822 287 A HN 0.169 nan 8.150 nan 0.000 0.444 288 V N -0.302 119.605 119.914 -0.013 0.000 2.295 288 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 288 V C 2.486 178.523 176.094 -0.095 0.000 1.049 288 V CA 1.976 64.247 62.300 -0.048 0.000 1.024 288 V CB -0.921 30.860 31.823 -0.071 0.000 0.648 288 V HN 0.588 nan 8.190 nan 0.000 0.447 289 L N 0.618 121.782 121.223 -0.099 0.000 2.012 289 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 289 L C 2.479 179.310 176.870 -0.064 0.000 1.073 289 L CA 2.566 57.323 54.840 -0.138 0.000 0.748 289 L CB -0.834 41.207 42.059 -0.030 0.000 0.891 289 L HN 0.454 nan 8.230 nan 0.000 0.431 290 E N -0.485 119.731 120.200 0.027 0.000 2.065 290 E HA -0.283 4.067 4.350 -0.001 0.000 0.201 290 E C 2.152 178.751 176.600 -0.001 0.000 1.016 290 E CA 2.624 59.058 56.400 0.057 0.000 0.818 290 E CB -0.658 29.065 29.700 0.039 0.000 0.749 290 E HN 0.717 nan 8.360 nan 0.000 0.453 291 T N -2.025 112.520 114.554 -0.016 0.000 2.788 291 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 291 T C 2.013 176.694 174.700 -0.031 0.000 1.044 291 T CA 1.433 63.532 62.100 -0.001 0.000 1.139 291 T CB -0.791 68.149 68.868 0.121 0.000 0.867 291 T HN 0.038 nan 8.240 nan 0.000 0.454 292 V N 1.870 121.725 119.914 -0.098 0.000 2.255 292 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 292 V C 2.873 178.897 176.094 -0.117 0.000 1.051 292 V CA 2.027 64.233 62.300 -0.157 0.000 1.018 292 V CB -0.856 30.761 31.823 -0.344 0.000 0.641 292 V HN 0.607 nan 8.190 nan 0.000 0.445 293 H N -0.611 118.439 119.070 -0.034 0.000 2.353 293 H HA -0.122 4.434 4.556 -0.001 0.000 0.300 293 H C 2.515 177.795 175.328 -0.079 0.000 1.090 293 H CA 1.629 57.661 56.048 -0.027 0.000 1.327 293 H CB -0.191 29.559 29.762 -0.020 0.000 1.383 293 H HN 0.383 nan 8.280 nan 0.000 0.508 294 Q N 0.263 120.030 119.800 -0.055 0.000 2.050 294 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 294 Q C 1.615 177.461 176.000 -0.257 0.000 0.980 294 Q CA 1.406 57.036 55.803 -0.287 0.000 0.840 294 Q CB 0.001 28.338 28.738 -0.669 0.000 0.898 294 Q HN 0.667 nan 8.270 nan 0.000 0.424 295 H N -1.912 117.178 119.070 0.034 0.000 2.827 295 H HA 0.343 4.898 4.556 -0.001 0.000 0.269 295 H C 0.124 175.463 175.328 0.018 0.000 1.031 295 H CA -0.035 56.026 56.048 0.021 0.000 1.202 295 H CB 0.980 30.750 29.762 0.013 0.000 1.511 295 H HN 0.058 nan 8.280 nan 0.000 0.517 296 L N 2.482 123.769 121.223 0.107 0.000 2.342 296 L HA 0.400 4.740 4.340 -0.001 0.000 0.271 296 L C -2.122 174.784 176.870 0.060 0.000 1.008 296 L CA -1.854 53.030 54.840 0.073 0.000 0.818 296 L CB 2.608 44.698 42.059 0.051 0.000 1.296 296 L HN -0.043 nan 8.230 nan 0.000 0.427 297 P HA 0.483 nan 4.420 nan 0.000 0.310 297 P C -0.297 177.023 177.300 0.033 0.000 1.309 297 P CA -0.148 62.975 63.100 0.039 0.000 0.769 297 P CB 1.177 32.894 31.700 0.027 0.000 1.327 298 G N -0.894 107.911 108.800 0.009 0.000 2.758 298 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.686 298 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.686 298 G C -0.598 174.304 174.900 0.003 0.000 1.389 298 G CA -0.480 44.602 45.100 -0.029 0.000 0.845 298 G HN 0.784 nan 8.290 nan 0.000 0.572 299 E N 0.408 120.587 120.200 -0.034 0.000 2.360 299 E HA 0.291 4.640 4.350 -0.001 0.000 0.269 299 E C 0.099 176.750 176.600 0.084 0.000 1.022 299 E CA -0.369 56.052 56.400 0.036 0.000 0.887 299 E CB 0.304 30.023 29.700 0.032 0.000 0.990 299 E HN 0.307 nan 8.360 nan 0.000 0.426 300 K N 3.192 123.668 120.400 0.126 0.000 2.183 300 K HA 0.369 4.688 4.320 -0.001 0.000 0.274 300 K C -0.888 175.725 176.600 0.021 0.000 1.009 300 K CA -0.758 55.617 56.287 0.148 0.000 0.888 300 K CB 1.820 34.468 32.500 0.246 0.000 1.078 300 K HN 0.231 nan 8.250 nan 0.000 0.459 301 V N 2.747 122.544 119.914 -0.196 0.000 2.483 301 V HA 0.172 4.292 4.120 -0.001 0.000 0.297 301 V C -0.214 175.401 176.094 -0.799 0.000 1.027 301 V CA -1.090 61.035 62.300 -0.292 0.000 0.855 301 V CB 1.745 33.505 31.823 -0.103 0.000 0.995 301 V HN 0.657 nan 8.190 nan 0.000 0.424 302 N N 3.213 121.527 118.700 -0.644 0.000 2.514 302 N HA 0.686 5.426 4.740 -0.001 0.000 0.277 302 N C -0.425 174.970 175.510 -0.191 0.000 1.126 302 N CA 0.096 52.773 53.050 -0.623 0.000 0.978 302 N CB 1.661 40.024 38.487 -0.206 0.000 1.106 302 N HN 0.944 nan 8.380 nan 0.000 0.461 303 A N 3.005 125.770 122.820 -0.092 0.000 2.422 303 A HA 0.463 4.783 4.320 -0.001 0.000 0.302 303 A C -1.844 175.866 177.584 0.209 0.000 1.041 303 A CA -0.630 51.480 52.037 0.122 0.000 0.708 303 A CB 0.733 19.827 19.000 0.156 0.000 1.257 303 A HN 0.702 nan 8.150 nan 0.000 0.414 304 Y N 1.468 121.822 120.300 0.090 0.000 2.364 304 Y HA 0.671 5.221 4.550 -0.001 0.000 0.340 304 Y C 0.275 176.197 175.900 0.036 0.000 0.975 304 Y CA 0.302 58.443 58.100 0.069 0.000 1.089 304 Y CB 1.711 40.199 38.460 0.047 0.000 1.192 304 Y HN 1.074 nan 8.280 nan 0.000 0.454 305 G N 2.143 110.550 108.800 -0.655 0.000 2.645 305 G HA2 0.553 4.513 3.960 -0.001 0.000 0.292 305 G HA3 0.553 4.513 3.960 -0.001 0.000 0.292 305 G C -1.504 173.077 174.900 -0.531 0.000 1.415 305 G CA -0.555 44.228 45.100 -0.528 0.000 0.785 305 G HN 0.824 nan 8.290 nan 0.000 0.483 306 T N -3.669 110.677 114.554 -0.346 0.000 2.896 306 T HA 0.539 4.889 4.350 -0.001 0.000 0.297 306 T C 1.011 175.524 174.700 -0.311 0.000 1.108 306 T CA 0.257 62.196 62.100 -0.267 0.000 1.004 306 T CB 1.464 70.223 68.868 -0.182 0.000 1.159 306 T HN 0.361 nan 8.240 nan 0.000 0.499 307 T N 1.145 115.522 114.554 -0.295 0.000 2.699 307 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 307 T C 1.577 176.009 174.700 -0.447 0.000 1.036 307 T CA 2.150 64.034 62.100 -0.360 0.000 1.147 307 T CB -0.372 68.347 68.868 -0.249 0.000 0.862 307 T HN 0.772 nan 8.240 nan 0.000 0.446 308 E N 0.753 120.577 120.200 -0.626 0.000 2.107 308 E HA 0.151 4.500 4.350 -0.001 0.000 0.191 308 E C 1.873 178.099 176.600 -0.623 0.000 0.982 308 E CA 1.079 56.876 56.400 -1.005 0.000 0.809 308 E CB -0.039 28.551 29.700 -1.850 0.000 0.756 308 E HN 0.481 nan 8.360 nan 0.000 0.459 309 A N -1.238 121.269 122.820 -0.521 0.000 2.551 309 A HA 0.486 4.806 4.320 -0.001 0.000 0.252 309 A C 0.670 178.081 177.584 -0.287 0.000 1.199 309 A CA 0.186 52.038 52.037 -0.307 0.000 0.972 309 A CB -0.007 18.892 19.000 -0.169 0.000 1.153 309 A HN 0.129 nan 8.150 nan 0.000 0.559 310 M N -0.813 118.579 119.600 -0.347 0.000 7.319 310 M HA -0.284 4.196 4.480 -0.001 0.000 0.254 310 M C -0.098 175.961 176.300 -0.401 0.000 0.480 310 M CA 1.789 56.852 55.300 -0.394 0.000 1.311 310 M CB -1.006 31.330 32.600 -0.440 0.000 0.421 310 M HN 0.560 nan 8.290 nan 0.000 0.651 311 N N 0.158 118.502 118.700 -0.594 0.000 2.470 311 N HA 0.440 5.180 4.740 -0.001 0.000 0.268 311 N C -0.299 175.113 175.510 -0.162 0.000 1.136 311 N CA 0.957 53.687 53.050 -0.534 0.000 0.961 311 N CB 0.838 38.678 38.487 -1.078 0.000 1.067 311 N HN 0.485 nan 8.380 nan 0.000 0.468 312 S N 1.954 117.672 115.700 0.029 0.000 2.628 312 S HA 0.398 4.867 4.470 -0.001 0.000 0.246 312 S C -0.382 174.367 174.600 0.247 0.000 1.062 312 S CA -0.239 58.071 58.200 0.183 0.000 1.028 312 S CB 0.328 63.704 63.200 0.293 0.000 0.985 312 S HN 0.480 nan 8.310 nan 0.000 0.551 313 L N 0.828 122.232 121.223 0.300 0.000 2.568 313 L HA 0.626 4.966 4.340 -0.001 0.000 0.257 313 L C -1.358 175.747 176.870 0.390 0.000 1.024 313 L CA -1.223 53.793 54.840 0.294 0.000 0.854 313 L CB 2.055 44.198 42.059 0.141 0.000 1.460 313 L HN 0.300 nan 8.230 nan 0.000 0.409 314 Y N -0.353 120.000 120.300 0.089 0.000 2.779 314 Y HA 0.837 5.387 4.550 -0.001 0.000 0.340 314 Y C -1.963 173.960 175.900 0.039 0.000 1.252 314 Y CA -1.624 56.514 58.100 0.064 0.000 1.072 314 Y CB 1.587 40.097 38.460 0.084 0.000 1.343 314 Y HN 0.433 nan 8.280 nan 0.000 0.450 315 M N 2.892 122.338 119.600 -0.257 0.000 2.274 315 M HA 0.364 4.843 4.480 -0.001 0.000 0.272 315 M C -1.437 174.772 176.300 -0.151 0.000 1.053 315 M CA -0.607 54.501 55.300 -0.321 0.000 0.978 315 M CB 2.564 35.080 32.600 -0.140 0.000 1.836 315 M HN 0.919 nan 8.290 nan 0.000 0.484 316 R N 2.885 123.302 120.500 -0.139 0.000 2.438 316 R HA 0.300 4.639 4.340 -0.001 0.000 0.287 316 R C -0.036 176.277 176.300 0.022 0.000 1.077 316 R CA -0.393 55.710 56.100 0.004 0.000 1.034 316 R CB 0.485 30.815 30.300 0.050 0.000 0.993 316 R HN 0.544 nan 8.270 nan 0.000 0.459 317 Q N -0.157 119.696 119.800 0.088 0.000 2.452 317 Q HA -0.110 4.230 4.340 -0.001 0.000 0.318 317 Q C -2.171 173.917 176.000 0.147 0.000 1.386 317 Q CA 0.461 56.353 55.803 0.149 0.000 0.872 317 Q CB -1.694 27.081 28.738 0.061 0.000 1.151 317 Q HN 0.606 nan 8.270 nan 0.000 0.417 318 P HA 0.011 nan 4.420 nan 0.000 0.268 318 P C 0.594 178.040 177.300 0.244 0.000 1.204 318 P CA 0.222 63.431 63.100 0.182 0.000 0.768 318 P CB 0.803 32.620 31.700 0.195 0.000 0.842 319 K N 0.547 121.020 120.400 0.122 0.000 2.141 319 K HA 0.057 4.377 4.320 -0.001 0.000 0.202 319 K C 1.143 177.805 176.600 0.104 0.000 1.045 319 K CA 1.043 57.383 56.287 0.088 0.000 0.971 319 K CB -0.031 32.486 32.500 0.029 0.000 0.795 319 K HN 0.628 nan 8.250 nan 0.000 0.459 320 T N -3.259 111.346 114.554 0.086 0.000 2.949 320 T HA 0.409 4.758 4.350 -0.001 0.000 0.287 320 T C 0.974 175.736 174.700 0.104 0.000 1.034 320 T CA -0.754 61.395 62.100 0.081 0.000 1.018 320 T CB 1.872 70.769 68.868 0.048 0.000 1.135 320 T HN 0.109 nan 8.240 nan 0.000 0.532 321 G N -0.596 108.265 108.800 0.103 0.000 3.088 321 G HA2 0.173 4.132 3.960 -0.001 0.000 0.217 321 G HA3 0.173 4.132 3.960 -0.001 0.000 0.217 321 G C 1.138 176.095 174.900 0.095 0.000 1.159 321 G CA 0.502 45.684 45.100 0.136 0.000 0.760 321 G HN 0.920 nan 8.290 nan 0.000 0.550 322 T N -1.274 113.309 114.554 0.050 0.000 3.015 322 T HA 0.156 4.506 4.350 -0.001 0.000 0.250 322 T C 0.715 175.394 174.700 -0.035 0.000 1.057 322 T CA -0.090 62.015 62.100 0.008 0.000 1.066 322 T CB 0.137 69.000 68.868 -0.009 0.000 0.959 322 T HN 0.414 nan 8.240 nan 0.000 0.488 323 E N 1.388 121.575 120.200 -0.022 0.000 2.151 323 E HA 0.666 5.016 4.350 -0.001 0.000 0.275 323 E C -1.031 175.540 176.600 -0.047 0.000 0.936 323 E CA -0.738 55.632 56.400 -0.050 0.000 0.777 323 E CB 1.581 31.262 29.700 -0.032 0.000 1.108 323 E HN 0.334 nan 8.360 nan 0.000 0.401 324 M N 1.317 120.869 119.600 -0.081 0.000 2.664 324 M HA 0.680 5.160 4.480 -0.001 0.000 0.279 324 M C -1.386 174.874 176.300 -0.066 0.000 1.275 324 M CA -0.860 54.398 55.300 -0.070 0.000 0.829 324 M CB 2.740 35.326 32.600 -0.023 0.000 1.727 324 M HN 0.714 nan 8.290 nan 0.000 0.459 325 A N 1.222 124.021 122.820 -0.035 0.000 2.435 325 A HA 0.959 5.278 4.320 -0.001 0.000 0.304 325 A C -2.866 174.824 177.584 0.176 0.000 1.064 325 A CA -1.641 50.429 52.037 0.055 0.000 0.727 325 A CB 1.249 20.270 19.000 0.035 0.000 1.284 325 A HN 0.406 nan 8.150 nan 0.000 0.415 326 P HA 0.294 nan 4.420 nan 0.000 0.271 326 P C 0.345 177.855 177.300 0.350 0.000 1.216 326 P CA 0.489 63.749 63.100 0.266 0.000 0.776 326 P CB 1.146 32.980 31.700 0.225 0.000 0.881 327 G N 2.036 111.034 108.800 0.329 0.000 2.702 327 G HA2 0.394 4.353 3.960 -0.001 0.000 0.254 327 G HA3 0.394 4.353 3.960 -0.001 0.000 0.254 327 G C -0.996 173.986 174.900 0.137 0.000 1.380 327 G CA -0.779 44.458 45.100 0.229 0.000 1.042 327 G HN 0.392 nan 8.290 nan 0.000 0.557 328 F N -0.641 119.258 119.950 -0.084 0.000 2.553 328 F HA 0.343 4.869 4.527 -0.001 0.000 0.356 328 F C 0.911 176.586 175.800 -0.208 0.000 1.142 328 F CA 0.769 58.612 58.000 -0.262 0.000 1.322 328 F CB 0.124 38.833 39.000 -0.485 0.000 1.126 328 F HN 0.435 nan 8.300 nan 0.000 0.599 329 F N 0.024 119.707 119.950 -0.445 0.000 2.498 329 F HA -0.302 4.225 4.527 -0.001 0.000 0.563 329 F C 0.802 176.510 175.800 -0.154 0.000 0.514 329 F CA 0.708 58.554 58.000 -0.256 0.000 1.189 329 F CB -2.053 36.923 39.000 -0.041 0.000 1.924 329 F HN 0.340 nan 8.300 nan 0.000 0.261 330 S N 0.550 116.291 115.700 0.069 0.000 2.578 330 S HA 0.560 5.030 4.470 -0.001 0.000 0.283 330 S C -0.242 174.399 174.600 0.070 0.000 1.195 330 S CA -0.652 57.603 58.200 0.090 0.000 1.050 330 S CB 2.535 65.817 63.200 0.137 0.000 1.012 330 S HN 0.314 nan 8.310 nan 0.000 0.511 331 E N 1.314 121.571 120.200 0.095 0.000 2.275 331 E HA 0.577 4.927 4.350 -0.001 0.000 0.270 331 E C -1.533 175.244 176.600 0.295 0.000 0.882 331 E CA -0.793 55.697 56.400 0.150 0.000 0.758 331 E CB 1.575 31.311 29.700 0.060 0.000 1.195 331 E HN 0.530 nan 8.360 nan 0.000 0.419 332 V N 1.075 121.203 119.914 0.356 0.000 3.007 332 V HA 0.789 4.909 4.120 -0.001 0.000 0.311 332 V C -0.947 175.360 176.094 0.355 0.000 1.120 332 V CA -0.818 61.700 62.300 0.364 0.000 0.980 332 V CB 2.055 34.010 31.823 0.220 0.000 1.033 332 V HN 0.757 nan 8.190 nan 0.000 0.429 333 R N 2.334 122.960 120.500 0.211 0.000 2.799 333 R HA 0.761 5.100 4.340 -0.001 0.000 0.270 333 R C -1.539 174.779 176.300 0.030 0.000 1.010 333 R CA -0.875 55.293 56.100 0.114 0.000 0.916 333 R CB 2.571 32.756 30.300 -0.191 0.000 1.228 333 R HN 0.833 nan 8.270 nan 0.000 0.469 334 I N 2.896 123.512 120.570 0.076 0.000 2.410 334 I HA 0.343 4.513 4.170 -0.001 0.000 0.286 334 I C -0.169 175.941 176.117 -0.011 0.000 1.009 334 I CA -0.977 60.314 61.300 -0.016 0.000 1.111 334 I CB 1.715 39.682 38.000 -0.053 0.000 1.262 334 I HN 0.301 nan 8.210 nan 0.000 0.443 335 V N 2.830 122.705 119.914 -0.065 0.000 3.019 335 V HA 0.578 4.698 4.120 -0.001 0.000 0.317 335 V C 0.176 176.242 176.094 -0.046 0.000 1.094 335 V CA -1.158 61.099 62.300 -0.073 0.000 1.000 335 V CB 1.794 33.535 31.823 -0.137 0.000 1.060 335 V HN 0.850 nan 8.190 nan 0.000 0.443 336 R N 1.540 122.019 120.500 -0.036 0.000 2.538 336 R HA 0.260 4.599 4.340 -0.001 0.000 0.282 336 R C -0.219 176.067 176.300 -0.024 0.000 1.009 336 R CA -0.220 55.867 56.100 -0.021 0.000 1.063 336 R CB 0.040 30.330 30.300 -0.018 0.000 0.945 336 R HN 0.774 nan 8.270 nan 0.000 0.414 337 I N 4.137 124.700 120.570 -0.012 0.000 2.821 337 I HA -0.106 4.063 4.170 -0.001 0.000 0.294 337 I C 1.428 177.539 176.117 -0.009 0.000 1.210 337 I CA 1.716 63.012 61.300 -0.008 0.000 1.430 337 I CB 0.508 38.512 38.000 0.006 0.000 1.356 337 I HN 1.040 nan 8.210 nan 0.000 0.563 338 G N 4.144 112.938 108.800 -0.010 0.000 2.225 338 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.267 338 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.267 338 G C 0.279 175.172 174.900 -0.011 0.000 1.024 338 G CA 0.121 45.217 45.100 -0.007 0.000 0.784 338 G HN 1.108 nan 8.290 nan 0.000 0.507 339 G N -1.350 107.436 108.800 -0.023 0.000 2.788 339 G HA2 0.845 4.805 3.960 -0.001 0.000 0.293 339 G HA3 0.845 4.805 3.960 -0.001 0.000 0.293 339 G C 0.545 175.421 174.900 -0.041 0.000 1.305 339 G CA 0.032 45.115 45.100 -0.028 0.000 1.005 339 G HN 1.158 nan 8.290 nan 0.000 0.496 340 G N -1.459 107.316 108.800 -0.042 0.000 2.594 340 G HA2 0.429 4.388 3.960 -0.001 0.000 0.243 340 G HA3 0.429 4.388 3.960 -0.001 0.000 0.243 340 G C 1.353 176.189 174.900 -0.107 0.000 1.229 340 G CA 0.338 45.407 45.100 -0.051 0.000 0.843 340 G HN 1.378 nan 8.290 nan 0.000 0.578 341 V N -1.361 118.467 119.914 -0.143 0.000 3.026 341 V HA -0.069 4.051 4.120 -0.001 0.000 0.265 341 V C 1.313 177.184 176.094 -0.371 0.000 1.121 341 V CA 2.091 64.186 62.300 -0.341 0.000 1.142 341 V CB -0.306 31.253 31.823 -0.441 0.000 0.730 341 V HN 0.479 nan 8.190 nan 0.000 0.503 342 D N 0.292 120.583 120.400 -0.182 0.000 2.354 342 D HA 0.066 4.705 4.640 -0.001 0.000 0.209 342 D C 1.120 177.361 176.300 -0.099 0.000 1.015 342 D CA 0.366 54.292 54.000 -0.124 0.000 0.867 342 D CB 0.006 40.779 40.800 -0.046 0.000 0.933 342 D HN 0.633 nan 8.370 nan 0.000 0.520 343 E N 1.642 121.783 120.200 -0.097 0.000 2.467 343 E HA 0.022 4.372 4.350 -0.001 0.000 0.321 343 E C 0.353 176.914 176.600 -0.066 0.000 1.388 343 E CA -0.235 56.125 56.400 -0.066 0.000 1.508 343 E CB 0.065 29.733 29.700 -0.053 0.000 1.250 343 E HN 0.157 nan 8.360 nan 0.000 0.500 344 I N 1.499 122.031 120.570 -0.064 0.000 2.932 344 I HA -0.084 4.086 4.170 -0.001 0.000 0.295 344 I C 1.031 177.144 176.117 -0.006 0.000 1.227 344 I CA 0.284 61.563 61.300 -0.035 0.000 1.429 344 I CB -0.436 37.551 38.000 -0.022 0.000 1.339 344 I HN -0.024 nan 8.210 nan 0.000 0.589 345 V N 2.144 122.075 119.914 0.028 0.000 2.904 345 V HA 0.753 4.873 4.120 -0.001 0.000 0.305 345 V C 0.639 176.758 176.094 0.042 0.000 1.067 345 V CA -1.078 61.245 62.300 0.037 0.000 1.044 345 V CB 0.998 32.853 31.823 0.053 0.000 1.050 345 V HN 0.936 nan 8.190 nan 0.000 0.475 346 A N 2.045 124.883 122.820 0.030 0.000 2.466 346 A HA 0.231 4.551 4.320 -0.001 0.000 0.238 346 A C 0.423 178.037 177.584 0.049 0.000 1.074 346 A CA 0.060 52.111 52.037 0.024 0.000 0.774 346 A CB -0.671 18.338 19.000 0.016 0.000 1.015 346 A HN 1.070 nan 8.150 nan 0.000 0.498 347 N N -0.123 118.595 118.700 0.030 0.000 2.475 347 N HA 0.406 5.145 4.740 -0.001 0.000 0.267 347 N C 1.082 176.636 175.510 0.073 0.000 1.169 347 N CA 1.314 54.395 53.050 0.053 0.000 0.947 347 N CB 0.293 38.772 38.487 -0.013 0.000 1.061 347 N HN 1.155 nan 8.380 nan 0.000 0.466 348 G N 1.763 110.635 108.800 0.120 0.000 2.213 348 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.236 348 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.236 348 G C -0.429 174.516 174.900 0.076 0.000 0.991 348 G CA -0.277 44.879 45.100 0.093 0.000 0.629 348 G HN 0.577 nan 8.290 nan 0.000 0.517 349 E N 1.770 122.014 120.200 0.074 0.000 2.301 349 E HA 0.410 4.759 4.350 -0.001 0.000 0.275 349 E C 0.362 176.997 176.600 0.058 0.000 1.030 349 E CA -0.391 56.044 56.400 0.058 0.000 0.852 349 E CB 0.965 30.692 29.700 0.043 0.000 1.060 349 E HN 0.681 nan 8.360 nan 0.000 0.401 350 E N 0.755 120.986 120.200 0.051 0.000 2.373 350 E HA 0.561 4.911 4.350 -0.001 0.000 0.263 350 E C 0.252 176.869 176.600 0.028 0.000 1.073 350 E CA -0.566 55.859 56.400 0.041 0.000 0.894 350 E CB 1.043 30.796 29.700 0.088 0.000 1.008 350 E HN 0.619 nan 8.360 nan 0.000 0.420 351 G N 0.683 109.485 108.800 0.002 0.000 2.554 351 G HA2 0.168 4.128 3.960 -0.001 0.000 0.306 351 G HA3 0.168 4.128 3.960 -0.001 0.000 0.306 351 G C -1.552 173.328 174.900 -0.034 0.000 1.320 351 G CA -0.782 44.312 45.100 -0.009 0.000 0.800 351 G HN 0.490 nan 8.290 nan 0.000 0.481 352 E N -0.307 119.869 120.200 -0.042 0.000 2.259 352 E HA 0.417 4.766 4.350 -0.001 0.000 0.281 352 E C -0.744 175.808 176.600 -0.081 0.000 1.027 352 E CA -0.698 55.670 56.400 -0.053 0.000 0.838 352 E CB 1.352 31.025 29.700 -0.046 0.000 1.066 352 E HN 0.368 nan 8.360 nan 0.000 0.401 353 L N 7.116 128.286 121.223 -0.088 0.000 2.369 353 L HA 0.283 4.622 4.340 -0.001 0.000 0.279 353 L C -0.563 176.288 176.870 -0.032 0.000 1.108 353 L CA 0.187 54.971 54.840 -0.094 0.000 0.852 353 L CB 0.260 42.232 42.059 -0.144 0.000 1.169 353 L HN 0.441 nan 8.230 nan 0.000 0.452 354 I N 4.408 124.973 120.570 -0.007 0.000 2.603 354 I HA 0.800 4.970 4.170 -0.001 0.000 0.300 354 I C -0.674 175.617 176.117 0.290 0.000 1.017 354 I CA -0.985 60.364 61.300 0.082 0.000 1.098 354 I CB 2.070 40.062 38.000 -0.013 0.000 1.279 354 I HN 0.455 nan 8.210 nan 0.000 0.437 355 V N 2.272 122.441 119.914 0.426 0.000 2.823 355 V HA 0.907 5.026 4.120 -0.001 0.000 0.312 355 V C 0.400 176.750 176.094 0.428 0.000 1.072 355 V CA -0.613 61.957 62.300 0.450 0.000 0.937 355 V CB 1.285 33.307 31.823 0.331 0.000 1.013 355 V HN 1.135 nan 8.190 nan 0.000 0.430 356 A N 3.065 125.951 122.820 0.110 0.000 2.511 356 A HA 0.659 4.979 4.320 -0.001 0.000 0.242 356 A C 0.775 178.274 177.584 -0.142 0.000 1.069 356 A CA 0.267 52.057 52.037 -0.411 0.000 0.763 356 A CB 0.144 18.790 19.000 -0.590 0.000 1.001 356 A HN 2.316 nan 8.150 nan 0.000 0.498 357 A N 3.313 126.028 122.820 -0.175 0.000 2.798 357 A HA 0.543 4.863 4.320 -0.001 0.000 0.316 357 A C 0.901 178.409 177.584 -0.126 0.000 1.506 357 A CA 0.181 52.181 52.037 -0.062 0.000 1.162 357 A CB -0.817 18.187 19.000 0.007 0.000 1.138 357 A HN 1.416 nan 8.150 nan 0.000 0.532 358 S N 0.816 116.448 115.700 -0.113 0.000 3.124 358 S HA 0.356 4.826 4.470 -0.001 0.000 0.234 358 S C 0.639 175.178 174.600 -0.102 0.000 1.045 358 S CA 0.050 58.184 58.200 -0.110 0.000 1.200 358 S CB -0.001 63.139 63.200 -0.101 0.000 1.186 358 S HN 0.330 nan 8.310 nan 0.000 0.617 359 D N 1.971 122.314 120.400 -0.096 0.000 2.158 359 D HA -0.079 4.561 4.640 -0.001 0.000 0.197 359 D C 2.183 178.391 176.300 -0.154 0.000 0.995 359 D CA 1.942 55.877 54.000 -0.108 0.000 0.846 359 D CB -0.556 40.186 40.800 -0.096 0.000 0.941 359 D HN 0.576 nan 8.370 nan 0.000 0.456 360 S N -0.346 115.234 115.700 -0.199 0.000 2.522 360 S HA 0.200 4.670 4.470 -0.001 0.000 0.227 360 S C 1.054 175.529 174.600 -0.208 0.000 0.986 360 S CA 0.143 58.187 58.200 -0.260 0.000 0.929 360 S CB -0.079 62.928 63.200 -0.320 0.000 0.769 360 S HN 0.220 nan 8.310 nan 0.000 0.529 361 A N 2.071 124.809 122.820 -0.136 0.000 2.425 361 A HA 0.502 4.822 4.320 -0.001 0.000 0.242 361 A C 0.255 177.832 177.584 -0.011 0.000 1.077 361 A CA -0.753 51.244 52.037 -0.067 0.000 0.781 361 A CB -0.407 18.570 19.000 -0.039 0.000 1.020 361 A HN 0.713 nan 8.150 nan 0.000 0.494 362 F N 1.077 120.868 119.950 -0.265 0.000 2.444 362 F HA 0.423 4.950 4.527 0.001 0.000 0.331 362 F C 1.069 176.754 175.800 -0.192 0.000 1.167 362 F CA -0.483 57.380 58.000 -0.228 0.000 1.262 362 F CB 0.648 39.474 39.000 -0.290 0.000 1.196 362 F HN 0.341 nan 8.300 nan 0.000 0.583 363 V N -0.501 119.194 119.914 -0.365 0.000 3.647 363 V HA 0.675 4.794 4.120 -0.001 0.000 0.279 363 V C 0.512 176.235 176.094 -0.619 0.000 1.314 363 V CA 0.288 62.317 62.300 -0.450 0.000 1.125 363 V CB -0.958 30.738 31.823 -0.213 0.000 0.907 363 V HN 1.519 nan 8.190 nan 0.000 0.434 364 G N -0.903 107.318 108.800 -0.965 0.000 2.333 364 G HA2 0.211 4.170 3.960 -0.001 0.000 0.330 364 G HA3 0.211 4.170 3.960 -0.001 0.000 0.330 364 G C -1.536 173.262 174.900 -0.171 0.000 1.465 364 G CA -0.885 43.812 45.100 -0.671 0.000 0.996 364 G HN 0.131 nan 8.290 nan 0.000 0.655 365 Y N 0.101 120.528 120.300 0.212 0.000 2.350 365 Y HA 0.499 5.049 4.550 -0.000 0.000 0.340 365 Y C 1.031 176.977 175.900 0.077 0.000 1.006 365 Y CA -0.812 57.402 58.100 0.189 0.000 1.166 365 Y CB 1.461 40.036 38.460 0.191 0.000 1.168 365 Y HN 0.613 nan 8.280 nan 0.000 0.502 366 L N 5.131 126.464 121.223 0.184 0.000 2.667 366 L HA -0.105 4.234 4.340 -0.001 0.000 0.278 366 L C 0.589 177.523 176.870 0.107 0.000 1.217 366 L CA 0.700 55.600 54.840 0.100 0.000 0.935 366 L CB -0.687 41.406 42.059 0.056 0.000 1.193 366 L HN 0.897 nan 8.230 nan 0.000 0.493 367 N N 2.458 121.206 118.700 0.080 0.000 2.741 367 N HA -0.248 4.491 4.740 -0.001 0.000 0.251 367 N C -0.712 174.846 175.510 0.081 0.000 1.112 367 N CA 0.999 54.090 53.050 0.068 0.000 0.750 367 N CB -0.732 37.788 38.487 0.055 0.000 1.119 367 N HN 0.794 nan 8.380 nan 0.000 0.561 368 Q N -0.851 119.020 119.800 0.118 0.000 3.122 368 Q HA 0.169 4.509 4.340 -0.001 0.000 0.282 368 Q C -1.969 174.124 176.000 0.154 0.000 0.947 368 Q CA -1.420 54.457 55.803 0.124 0.000 0.812 368 Q CB 1.322 30.132 28.738 0.119 0.000 1.333 368 Q HN 0.176 nan 8.270 nan 0.000 0.430 369 P HA -0.214 nan 4.420 nan 0.000 0.223 369 P C 1.308 178.668 177.300 0.100 0.000 1.151 369 P CA 1.227 64.382 63.100 0.091 0.000 0.787 369 P CB 0.410 32.142 31.700 0.053 0.000 0.788 370 Q N 0.808 120.664 119.800 0.093 0.000 2.016 370 Q HA -0.060 4.279 4.340 -0.001 0.000 0.200 370 Q C 2.476 178.552 176.000 0.127 0.000 0.978 370 Q CA 2.230 58.086 55.803 0.088 0.000 0.833 370 Q CB -1.795 26.980 28.738 0.062 0.000 0.895 370 Q HN 0.322 nan 8.270 nan 0.000 0.427 371 A N 0.471 123.383 122.820 0.153 0.000 1.940 371 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 371 A C 2.535 180.373 177.584 0.424 0.000 1.176 371 A CA 2.390 54.556 52.037 0.214 0.000 0.631 371 A CB -1.002 18.050 19.000 0.088 0.000 0.814 371 A HN 0.584 nan 8.150 nan 0.000 0.446 372 T N 0.222 115.028 114.554 0.419 0.000 2.674 372 T HA -0.004 4.346 4.350 -0.001 0.000 0.265 372 T C 2.191 177.004 174.700 0.189 0.000 1.039 372 T CA 1.600 63.883 62.100 0.305 0.000 1.150 372 T CB -0.463 68.476 68.868 0.118 0.000 0.864 372 T HN 0.605 nan 8.240 nan 0.000 0.427 373 A N 1.271 124.173 122.820 0.136 0.000 2.121 373 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 373 A C 2.106 179.758 177.584 0.114 0.000 1.154 373 A CA 1.253 53.349 52.037 0.098 0.000 0.679 373 A CB -0.458 18.584 19.000 0.070 0.000 0.795 373 A HN 0.576 nan 8.150 nan 0.000 0.458 374 E N -0.602 119.686 120.200 0.146 0.000 2.158 374 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 374 E C 1.582 178.273 176.600 0.152 0.000 0.982 374 E CA 0.752 57.231 56.400 0.131 0.000 0.823 374 E CB 0.056 29.832 29.700 0.127 0.000 0.766 374 E HN 0.337 nan 8.360 nan 0.000 0.468 375 K N -0.072 120.477 120.400 0.248 0.000 2.276 375 K HA 0.180 4.499 4.320 -0.001 0.000 0.198 375 K C 0.563 177.346 176.600 0.306 0.000 1.052 375 K CA 0.278 56.750 56.287 0.309 0.000 0.984 375 K CB 0.623 33.507 32.500 0.639 0.000 0.836 375 K HN 0.078 nan 8.250 nan 0.000 0.490 376 L N 3.238 124.607 121.223 0.243 0.000 2.301 376 L HA 0.272 4.612 4.340 -0.001 0.000 0.278 376 L C -0.685 176.259 176.870 0.123 0.000 1.022 376 L CA -0.278 54.666 54.840 0.172 0.000 0.854 376 L CB 1.089 43.148 42.059 -0.000 0.000 1.226 376 L HN -0.052 nan 8.230 nan 0.000 0.429 377 Q N 3.229 123.127 119.800 0.162 0.000 2.325 377 Q HA 0.249 4.588 4.340 -0.001 0.000 0.270 377 Q C -0.804 175.326 176.000 0.216 0.000 1.020 377 Q CA -0.869 55.022 55.803 0.147 0.000 0.785 377 Q CB 2.313 31.122 28.738 0.117 0.000 1.259 377 Q HN 0.463 nan 8.270 nan 0.000 0.452 378 D N 1.947 122.440 120.400 0.156 0.000 2.708 378 D HA -0.224 4.415 4.640 -0.001 0.000 0.236 378 D C 0.770 177.188 176.300 0.197 0.000 1.146 378 D CA 1.511 55.617 54.000 0.177 0.000 0.662 378 D CB -0.945 39.981 40.800 0.210 0.000 1.059 378 D HN 1.181 nan 8.370 nan 0.000 0.428 379 G N -1.649 107.192 108.800 0.068 0.000 2.176 379 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.253 379 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.253 379 G C -0.042 174.692 174.900 -0.278 0.000 0.979 379 G CA 0.408 45.433 45.100 -0.124 0.000 0.641 379 G HN 0.318 nan 8.290 nan 0.000 0.530 380 W N -0.755 120.580 121.300 0.058 0.000 2.639 380 W HA 0.727 5.386 4.660 -0.000 0.000 0.347 380 W C -0.016 176.590 176.519 0.145 0.000 1.067 380 W CA -1.478 55.919 57.345 0.086 0.000 1.218 380 W CB 0.759 30.252 29.460 0.054 0.000 1.393 380 W HN 0.140 nan 8.180 nan 0.000 0.557 381 Y N 2.660 123.144 120.300 0.306 0.000 2.328 381 Y HA 0.494 5.043 4.550 -0.001 0.000 0.337 381 Y C 0.008 176.057 175.900 0.250 0.000 1.008 381 Y CA -1.503 56.751 58.100 0.257 0.000 1.129 381 Y CB 0.736 39.326 38.460 0.217 0.000 1.185 381 Y HN 0.332 nan 8.280 nan 0.000 0.476 382 R N 4.427 124.524 120.500 -0.671 0.000 2.196 382 R HA 0.145 4.485 4.340 -0.001 0.000 0.340 382 R C 1.110 176.930 176.300 -0.800 0.000 1.043 382 R CA 0.435 56.235 56.100 -0.500 0.000 0.883 382 R CB 0.752 30.928 30.300 -0.206 0.000 1.078 382 R HN 0.927 nan 8.270 nan 0.000 0.462 383 T N -1.254 113.056 114.554 -0.406 0.000 2.867 383 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 383 T C 0.996 175.681 174.700 -0.026 0.000 1.057 383 T CA 0.893 62.918 62.100 -0.124 0.000 1.136 383 T CB -0.063 68.903 68.868 0.163 0.000 0.874 383 T HN 0.590 nan 8.240 nan 0.000 0.466 384 S N 0.715 116.387 115.700 -0.047 0.000 3.361 384 S HA -0.115 4.355 4.470 -0.001 0.000 0.288 384 S C -0.557 174.067 174.600 0.040 0.000 1.269 384 S CA 0.776 58.980 58.200 0.008 0.000 0.976 384 S CB -1.724 61.495 63.200 0.031 0.000 1.162 384 S HN 0.741 nan 8.310 nan 0.000 0.643 385 D N 0.783 121.208 120.400 0.043 0.000 2.192 385 D HA 0.547 5.187 4.640 -0.001 0.000 0.246 385 D C 0.122 176.413 176.300 -0.014 0.000 1.042 385 D CA -0.296 53.730 54.000 0.042 0.000 0.847 385 D CB 1.650 42.506 40.800 0.094 0.000 1.186 385 D HN 0.103 nan 8.370 nan 0.000 0.461 386 V N 1.330 121.231 119.914 -0.021 0.000 2.546 386 V HA 0.704 4.824 4.120 -0.001 0.000 0.284 386 V C 0.440 176.443 176.094 -0.151 0.000 1.050 386 V CA -0.275 61.995 62.300 -0.049 0.000 0.981 386 V CB 1.122 32.978 31.823 0.055 0.000 0.990 386 V HN 0.728 nan 8.190 nan 0.000 0.474 387 A N 3.982 126.706 122.820 -0.161 0.000 2.566 387 A HA 0.896 5.215 4.320 -0.001 0.000 0.292 387 A C -1.285 176.185 177.584 -0.190 0.000 1.112 387 A CA -0.610 51.290 52.037 -0.230 0.000 0.707 387 A CB 2.200 21.002 19.000 -0.329 0.000 1.302 387 A HN 0.841 nan 8.150 nan 0.000 0.409 388 V N -0.157 119.636 119.914 -0.201 0.000 2.789 388 V HA 0.620 4.740 4.120 -0.001 0.000 0.311 388 V C -1.723 174.287 176.094 -0.140 0.000 1.073 388 V CA -0.745 61.488 62.300 -0.112 0.000 0.921 388 V CB 1.857 33.667 31.823 -0.022 0.000 1.009 388 V HN 0.887 nan 8.190 nan 0.000 0.426 389 W N 4.756 126.040 121.300 -0.027 0.000 2.437 389 W HA 0.419 5.078 4.660 -0.001 0.000 0.312 389 W C 1.105 177.614 176.519 -0.017 0.000 1.242 389 W CA -0.163 57.168 57.345 -0.023 0.000 1.340 389 W CB 1.113 30.562 29.460 -0.019 0.000 1.327 389 W HN 0.763 nan 8.180 nan 0.000 0.476 390 T N 1.630 116.325 114.554 0.235 0.000 2.900 390 T HA 0.085 4.434 4.350 -0.001 0.000 0.307 390 T C -1.590 173.198 174.700 0.147 0.000 1.065 390 T CA -1.248 60.938 62.100 0.144 0.000 1.105 390 T CB 1.216 70.140 68.868 0.094 0.000 0.979 390 T HN 0.189 nan 8.240 nan 0.000 0.544 391 P HA -0.071 nan 4.420 nan 0.000 0.218 391 P C 0.832 178.162 177.300 0.050 0.000 1.146 391 P CA 0.936 64.070 63.100 0.058 0.000 0.813 391 P CB -0.040 31.683 31.700 0.039 0.000 0.778 392 E N -1.383 118.854 120.200 0.062 0.000 2.511 392 E HA 0.189 4.539 4.350 -0.001 0.000 0.196 392 E C 1.372 178.015 176.600 0.071 0.000 1.066 392 E CA 0.721 57.153 56.400 0.052 0.000 0.871 392 E CB -0.928 28.799 29.700 0.045 0.000 0.863 392 E HN 0.166 nan 8.360 nan 0.000 0.520 393 G N 1.002 109.871 108.800 0.114 0.000 2.149 393 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.235 393 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.235 393 G C 0.336 175.441 174.900 0.342 0.000 1.018 393 G CA 0.491 45.675 45.100 0.140 0.000 0.728 393 G HN 0.418 nan 8.290 nan 0.000 0.508 394 T N -3.094 111.669 114.554 0.349 0.000 2.942 394 T HA 0.727 5.077 4.350 -0.001 0.000 0.289 394 T C -0.170 174.582 174.700 0.086 0.000 1.044 394 T CA -0.609 61.637 62.100 0.244 0.000 1.023 394 T CB 2.806 71.722 68.868 0.079 0.000 1.123 394 T HN 0.760 nan 8.240 nan 0.000 0.512 395 V N 2.086 121.858 119.914 -0.236 0.000 2.406 395 V HA 0.457 4.577 4.120 -0.001 0.000 0.272 395 V C 0.556 176.466 176.094 -0.307 0.000 1.043 395 V CA -0.749 61.230 62.300 -0.535 0.000 0.915 395 V CB 0.786 32.173 31.823 -0.727 0.000 0.988 395 V HN 0.902 nan 8.190 nan 0.000 0.466 396 R N 5.909 126.256 120.500 -0.256 0.000 2.198 396 R HA 0.398 4.738 4.340 -0.001 0.000 0.339 396 R C -0.524 175.640 176.300 -0.226 0.000 1.020 396 R CA -0.629 55.363 56.100 -0.180 0.000 0.864 396 R CB 0.477 30.716 30.300 -0.102 0.000 1.105 396 R HN 0.556 nan 8.270 nan 0.000 0.463 397 I N 7.352 127.789 120.570 -0.221 0.000 2.452 397 I HA -0.036 4.134 4.170 -0.001 0.000 0.287 397 I C 1.065 177.068 176.117 -0.189 0.000 1.079 397 I CA 0.279 61.445 61.300 -0.224 0.000 1.387 397 I CB 0.953 38.837 38.000 -0.195 0.000 1.404 397 I HN 0.863 nan 8.210 nan 0.000 0.522 398 L N 5.639 126.702 121.223 -0.267 0.000 2.298 398 L HA 0.348 4.687 4.340 -0.001 0.000 0.209 398 L C 1.064 177.722 176.870 -0.353 0.000 1.084 398 L CA 0.332 54.911 54.840 -0.434 0.000 0.816 398 L CB -0.021 41.504 42.059 -0.890 0.000 0.967 398 L HN 0.861 nan 8.230 nan 0.000 0.460 399 G N -0.425 108.258 108.800 -0.195 0.000 2.356 399 G HA2 0.094 4.054 3.960 -0.001 0.000 0.300 399 G HA3 0.094 4.054 3.960 -0.001 0.000 0.300 399 G C -1.342 173.587 174.900 0.048 0.000 1.331 399 G CA -1.007 44.086 45.100 -0.013 0.000 0.905 399 G HN -0.117 nan 8.290 nan 0.000 0.587 400 R N -0.561 119.994 120.500 0.092 0.000 2.582 400 R HA 0.406 4.745 4.340 -0.001 0.000 0.271 400 R C 1.548 177.910 176.300 0.103 0.000 1.078 400 R CA -0.284 55.869 56.100 0.088 0.000 1.127 400 R CB 1.350 31.697 30.300 0.079 0.000 1.038 400 R HN 0.272 nan 8.270 nan 0.000 0.500 401 V N 1.605 121.566 119.914 0.078 0.000 2.407 401 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 401 V C 1.634 177.763 176.094 0.058 0.000 1.055 401 V CA 2.272 64.614 62.300 0.071 0.000 1.049 401 V CB -0.474 31.376 31.823 0.044 0.000 0.662 401 V HN 0.813 nan 8.190 nan 0.000 0.455 402 D N -0.462 119.969 120.400 0.051 0.000 2.312 402 D HA -0.125 4.515 4.640 -0.001 0.000 0.211 402 D C 1.362 177.685 176.300 0.039 0.000 0.964 402 D CA 0.758 54.782 54.000 0.039 0.000 0.877 402 D CB 0.012 40.833 40.800 0.035 0.000 0.924 402 D HN 0.419 nan 8.370 nan 0.000 0.515 403 D N -0.351 120.082 120.400 0.055 0.000 2.349 403 D HA 0.036 4.676 4.640 -0.001 0.000 0.214 403 D C 0.485 176.811 176.300 0.043 0.000 1.063 403 D CA -0.116 53.914 54.000 0.051 0.000 0.847 403 D CB -0.104 40.735 40.800 0.065 0.000 0.933 403 D HN 0.322 nan 8.370 nan 0.000 0.513 404 M N 1.567 121.191 119.600 0.040 0.000 2.227 404 M HA 0.134 4.614 4.480 -0.001 0.000 0.349 404 M C -0.505 175.762 176.300 -0.055 0.000 1.443 404 M CA 0.146 55.427 55.300 -0.033 0.000 1.110 404 M CB 0.445 33.023 32.600 -0.035 0.000 1.773 404 M HN -0.227 nan 8.290 nan 0.000 0.463 405 I N 6.270 126.790 120.570 -0.082 0.000 2.396 405 I HA 0.272 4.441 4.170 -0.001 0.000 0.292 405 I C -0.332 175.751 176.117 -0.058 0.000 0.999 405 I CA -0.255 61.016 61.300 -0.049 0.000 1.310 405 I CB 1.095 39.077 38.000 -0.031 0.000 1.404 405 I HN 0.634 nan 8.210 nan 0.000 0.496 406 I N 5.302 125.856 120.570 -0.027 0.000 2.390 406 I HA 0.212 4.382 4.170 -0.001 0.000 0.283 406 I C -0.294 175.830 176.117 0.011 0.000 1.016 406 I CA -0.032 61.259 61.300 -0.015 0.000 1.151 406 I CB 1.499 39.494 38.000 -0.008 0.000 1.293 406 I HN 0.468 nan 8.210 nan 0.000 0.458 407 S N 4.376 120.088 115.700 0.020 0.000 2.659 407 S HA 0.584 5.054 4.470 -0.001 0.000 0.312 407 S C 0.436 175.058 174.600 0.037 0.000 1.114 407 S CA 0.023 58.245 58.200 0.038 0.000 1.063 407 S CB 1.218 64.448 63.200 0.049 0.000 0.996 407 S HN 0.996 nan 8.310 nan 0.000 0.478 408 G N 3.274 112.109 108.800 0.057 0.000 2.371 408 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.299 408 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.299 408 G C 1.111 176.007 174.900 -0.006 0.000 1.014 408 G CA 0.451 45.577 45.100 0.044 0.000 1.097 408 G HN 2.139 nan 8.290 nan 0.000 0.512 409 G N -1.239 107.564 108.800 0.005 0.000 2.225 409 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.267 409 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.267 409 G C 0.047 174.912 174.900 -0.058 0.000 1.024 409 G CA 1.311 46.398 45.100 -0.021 0.000 0.784 409 G HN 1.595 nan 8.290 nan 0.000 0.507 410 E N -0.166 119.996 120.200 -0.064 0.000 2.246 410 E HA 0.483 4.832 4.350 -0.001 0.000 0.266 410 E C -0.285 176.290 176.600 -0.043 0.000 0.880 410 E CA -0.980 55.356 56.400 -0.106 0.000 0.762 410 E CB 0.557 30.108 29.700 -0.247 0.000 1.180 410 E HN 0.113 nan 8.360 nan 0.000 0.416 411 N N 4.219 122.894 118.700 -0.041 0.000 2.431 411 N HA 0.212 4.952 4.740 -0.001 0.000 0.265 411 N C -0.671 174.788 175.510 -0.085 0.000 1.184 411 N CA 0.409 53.405 53.050 -0.090 0.000 0.943 411 N CB 0.254 38.701 38.487 -0.066 0.000 1.080 411 N HN 0.437 nan 8.380 nan 0.000 0.477 412 I N 2.577 123.042 120.570 -0.174 0.000 2.436 412 I HA 0.190 4.359 4.170 -0.001 0.000 0.289 412 I C -0.308 175.643 176.117 -0.275 0.000 1.010 412 I CA -0.758 60.476 61.300 -0.109 0.000 1.098 412 I CB 1.534 39.555 38.000 0.035 0.000 1.266 412 I HN 0.270 nan 8.210 nan 0.000 0.434 413 H N 7.142 126.243 119.070 0.051 0.000 2.581 413 H HA 0.207 4.763 4.556 -0.001 0.000 0.308 413 H C -1.780 173.563 175.328 0.025 0.000 1.040 413 H CA -1.766 54.302 56.048 0.034 0.000 1.231 413 H CB 1.667 31.447 29.762 0.030 0.000 1.396 413 H HN 0.381 nan 8.280 nan 0.000 0.467 414 P HA -0.203 nan 4.420 nan 0.000 0.216 414 P C 1.515 178.860 177.300 0.074 0.000 1.150 414 P CA 1.359 64.498 63.100 0.065 0.000 0.843 414 P CB 0.234 31.963 31.700 0.048 0.000 0.787 415 S N 0.208 115.962 115.700 0.091 0.000 2.387 415 S HA -0.243 4.227 4.470 -0.001 0.000 0.230 415 S C 2.097 176.736 174.600 0.066 0.000 1.035 415 S CA 1.357 59.600 58.200 0.071 0.000 1.014 415 S CB -1.269 61.970 63.200 0.065 0.000 0.836 415 S HN 0.257 nan 8.310 nan 0.000 0.466 416 E N 1.285 121.532 120.200 0.079 0.000 2.038 416 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 416 E C 2.043 178.675 176.600 0.053 0.000 1.000 416 E CA 1.609 58.045 56.400 0.061 0.000 0.803 416 E CB -0.285 29.456 29.700 0.068 0.000 0.750 416 E HN 0.654 nan 8.360 nan 0.000 0.448 417 I N 0.891 121.490 120.570 0.050 0.000 2.179 417 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 417 I C 2.323 178.481 176.117 0.067 0.000 1.088 417 I CA 1.315 62.643 61.300 0.047 0.000 1.357 417 I CB -0.375 37.639 38.000 0.025 0.000 1.051 417 I HN 0.123 nan 8.210 nan 0.000 0.409 418 E N 0.652 120.887 120.200 0.060 0.000 2.130 418 E HA -0.251 4.099 4.350 -0.001 0.000 0.196 418 E C 2.361 178.998 176.600 0.062 0.000 0.998 418 E CA 1.205 57.641 56.400 0.059 0.000 0.806 418 E CB -0.108 29.622 29.700 0.050 0.000 0.738 418 E HN 0.391 nan 8.360 nan 0.000 0.459 419 R N 0.104 120.641 120.500 0.062 0.000 2.075 419 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 419 R C 2.382 178.735 176.300 0.088 0.000 1.126 419 R CA 1.041 57.178 56.100 0.063 0.000 0.963 419 R CB -0.170 30.163 30.300 0.054 0.000 0.858 419 R HN 0.068 nan 8.270 nan 0.000 0.435 420 V N 1.441 121.419 119.914 0.106 0.000 2.244 420 V HA -0.234 3.885 4.120 -0.001 0.000 0.244 420 V C 2.325 178.569 176.094 0.250 0.000 1.042 420 V CA 1.658 64.062 62.300 0.174 0.000 1.006 420 V CB -0.435 31.474 31.823 0.144 0.000 0.641 420 V HN 0.289 nan 8.190 nan 0.000 0.446 421 L N 0.579 121.912 121.223 0.183 0.000 2.127 421 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 421 L C 2.549 179.417 176.870 -0.004 0.000 1.089 421 L CA 1.610 56.517 54.840 0.111 0.000 0.757 421 L CB -1.034 41.098 42.059 0.121 0.000 0.899 421 L HN 0.514 nan 8.230 nan 0.000 0.434 422 G N -0.802 108.015 108.800 0.028 0.000 2.470 422 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.220 422 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.220 422 G C 1.562 176.445 174.900 -0.028 0.000 1.121 422 G CA 1.182 46.282 45.100 -0.001 0.000 0.766 422 G HN 0.475 nan 8.290 nan 0.000 0.553 423 T N -2.032 112.521 114.554 -0.001 0.000 3.129 423 T HA 0.560 4.910 4.350 -0.001 0.000 0.251 423 T C 1.113 175.706 174.700 -0.179 0.000 1.117 423 T CA 0.440 62.544 62.100 0.006 0.000 1.034 423 T CB 0.194 69.154 68.868 0.153 0.000 0.968 423 T HN 0.326 nan 8.240 nan 0.000 0.526 424 A N 3.730 126.235 122.820 -0.525 0.000 2.409 424 A HA 0.543 4.863 4.320 -0.001 0.000 0.267 424 A C -2.108 175.184 177.584 -0.486 0.000 1.127 424 A CA -1.712 49.671 52.037 -1.089 0.000 0.795 424 A CB -0.075 18.086 19.000 -1.399 0.000 1.061 424 A HN 0.325 nan 8.150 nan 0.000 0.502 425 P HA 0.075 nan 4.420 nan 0.000 0.263 425 P C 0.982 178.187 177.300 -0.159 0.000 1.175 425 P CA 1.730 64.731 63.100 -0.165 0.000 0.761 425 P CB 0.502 32.146 31.700 -0.092 0.000 0.794 426 G N 1.234 109.971 108.800 -0.105 0.000 2.179 426 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.260 426 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.260 426 G C -0.045 174.805 174.900 -0.083 0.000 0.977 426 G CA -0.064 44.985 45.100 -0.085 0.000 0.641 426 G HN 0.563 nan 8.290 nan 0.000 0.533 427 V N 1.009 120.862 119.914 -0.103 0.000 2.383 427 V HA 0.575 4.695 4.120 -0.001 0.000 0.275 427 V C 1.359 177.425 176.094 -0.046 0.000 1.036 427 V CA 0.760 63.013 62.300 -0.078 0.000 0.889 427 V CB 1.338 33.099 31.823 -0.103 0.000 0.985 427 V HN 0.336 nan 8.190 nan 0.000 0.459 428 T N 3.796 118.335 114.554 -0.025 0.000 2.939 428 T HA 0.174 4.524 4.350 -0.001 0.000 0.254 428 T C 0.541 175.239 174.700 -0.003 0.000 1.041 428 T CA 0.892 62.984 62.100 -0.012 0.000 1.142 428 T CB 0.144 69.008 68.868 -0.007 0.000 0.874 428 T HN 0.722 nan 8.240 nan 0.000 0.452 429 E N 0.097 120.299 120.200 0.004 0.000 2.340 429 E HA 0.576 4.925 4.350 -0.001 0.000 0.273 429 E C -1.940 174.674 176.600 0.023 0.000 0.891 429 E CA -0.635 55.773 56.400 0.013 0.000 0.757 429 E CB 3.072 32.782 29.700 0.017 0.000 1.231 429 E HN 0.064 nan 8.360 nan 0.000 0.439 430 V N 2.494 122.426 119.914 0.030 0.000 2.733 430 V HA 0.517 4.637 4.120 -0.001 0.000 0.306 430 V C -1.672 174.448 176.094 0.043 0.000 1.084 430 V CA -0.468 61.859 62.300 0.045 0.000 0.905 430 V CB 1.931 33.787 31.823 0.054 0.000 1.010 430 V HN 0.424 nan 8.190 nan 0.000 0.424 431 V N 6.635 126.577 119.914 0.046 0.000 2.588 431 V HA 0.584 4.703 4.120 -0.001 0.000 0.304 431 V C -0.398 175.717 176.094 0.035 0.000 1.042 431 V CA -0.608 61.714 62.300 0.037 0.000 0.877 431 V CB 2.038 33.878 31.823 0.029 0.000 0.996 431 V HN 0.711 nan 8.190 nan 0.000 0.425 432 V N 6.337 126.267 119.914 0.028 0.000 2.435 432 V HA 0.623 4.743 4.120 -0.001 0.000 0.290 432 V C -0.130 175.971 176.094 0.011 0.000 1.030 432 V CA -0.345 61.962 62.300 0.013 0.000 0.881 432 V CB 1.473 33.301 31.823 0.007 0.000 0.983 432 V HN 0.812 nan 8.190 nan 0.000 0.445 433 I N 1.385 121.956 120.570 0.003 0.000 3.042 433 I HA 0.969 5.139 4.170 -0.001 0.000 0.310 433 I C 0.158 176.270 176.117 -0.009 0.000 1.117 433 I CA -0.978 60.322 61.300 -0.000 0.000 1.003 433 I CB 2.474 40.472 38.000 -0.002 0.000 1.228 433 I HN 0.610 nan 8.210 nan 0.000 0.443 434 G N 3.735 112.527 108.800 -0.013 0.000 2.368 434 G HA2 0.604 4.564 3.960 -0.001 0.000 0.320 434 G HA3 0.604 4.564 3.960 -0.001 0.000 0.320 434 G C -0.816 174.067 174.900 -0.027 0.000 1.158 434 G CA -0.629 44.458 45.100 -0.022 0.000 0.912 434 G HN 0.535 nan 8.290 nan 0.000 0.456 435 L N 1.945 123.148 121.223 -0.033 0.000 2.334 435 L HA 0.448 4.787 4.340 -0.001 0.000 0.277 435 L C 1.078 177.902 176.870 -0.077 0.000 1.075 435 L CA -0.864 53.952 54.840 -0.041 0.000 0.804 435 L CB 1.691 43.742 42.059 -0.014 0.000 1.174 435 L HN 0.613 nan 8.230 nan 0.000 0.438 436 A N 2.749 125.524 122.820 -0.076 0.000 2.496 436 A HA 0.458 4.777 4.320 -0.001 0.000 0.278 436 A C 0.098 177.571 177.584 -0.184 0.000 1.137 436 A CA 0.903 52.880 52.037 -0.099 0.000 0.805 436 A CB -0.796 18.168 19.000 -0.060 0.000 1.077 436 A HN 0.991 nan 8.150 nan 0.000 0.513 437 D N 0.131 120.343 120.400 -0.313 0.000 4.630 437 D HA 0.813 5.453 4.640 -0.001 0.000 0.339 437 D C -0.096 175.613 176.300 -0.986 0.000 1.710 437 D CA 0.952 54.640 54.000 -0.519 0.000 0.986 437 D CB -0.178 40.437 40.800 -0.309 0.000 1.495 437 D HN 1.687 nan 8.370 nan 0.000 0.670 438 Q N -1.975 117.334 119.800 -0.818 0.000 2.814 438 Q HA 0.910 5.249 4.340 -0.001 0.000 0.322 438 Q C 0.853 176.630 176.000 -0.371 0.000 0.861 438 Q CA 1.332 56.455 55.803 -1.133 0.000 0.773 438 Q CB 0.916 28.794 28.738 -1.434 0.000 1.423 438 Q HN 2.167 nan 8.270 nan 0.000 0.495 439 R N -2.351 118.090 120.500 -0.099 0.000 1.231 439 R HA -0.116 4.223 4.340 -0.001 0.000 0.033 439 R C -0.825 175.648 176.300 0.287 0.000 0.957 439 R CA 2.280 58.444 56.100 0.108 0.000 1.983 439 R CB -1.593 28.726 30.300 0.032 0.000 0.184 439 R HN 1.525 nan 8.270 nan 0.000 0.729 440 W N -2.225 119.077 121.300 0.004 0.000 3.451 440 W HA 0.364 5.023 4.660 -0.001 0.000 0.325 440 W C 0.719 177.238 176.519 -0.001 0.000 0.668 440 W CA 0.527 57.873 57.345 0.001 0.000 0.739 440 W CB -0.404 29.055 29.460 -0.002 0.000 1.247 440 W HN 0.993 nan 8.180 nan 0.000 0.505 441 G N 0.881 109.896 108.800 0.357 0.000 5.155 441 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.239 441 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.239 441 G C -0.123 174.774 174.900 -0.005 0.000 1.409 441 G CA 0.991 46.213 45.100 0.203 0.000 0.927 441 G HN 1.151 nan 8.290 nan 0.000 0.710 442 Q N -0.964 118.814 119.800 -0.036 0.000 2.522 442 Q HA 0.673 5.012 4.340 -0.001 0.000 0.285 442 Q C -1.216 174.741 176.000 -0.071 0.000 0.982 442 Q CA -0.309 55.447 55.803 -0.078 0.000 0.805 442 Q CB 1.832 30.547 28.738 -0.040 0.000 1.457 442 Q HN 0.728 nan 8.270 nan 0.000 0.394 443 S N 0.645 116.295 115.700 -0.083 0.000 2.473 443 S HA 0.449 4.919 4.470 -0.001 0.000 0.307 443 S C -0.499 174.071 174.600 -0.050 0.000 1.094 443 S CA -0.535 57.624 58.200 -0.069 0.000 1.070 443 S CB 1.371 64.514 63.200 -0.094 0.000 1.019 443 S HN 0.441 nan 8.310 nan 0.000 0.480 444 V N 5.589 125.475 119.914 -0.045 0.000 2.450 444 V HA 0.257 4.376 4.120 -0.001 0.000 0.281 444 V C 0.354 176.387 176.094 -0.101 0.000 1.019 444 V CA 0.358 62.623 62.300 -0.058 0.000 1.062 444 V CB 0.535 32.327 31.823 -0.051 0.000 0.979 444 V HN 0.951 nan 8.190 nan 0.000 0.477 445 T N 4.691 119.195 114.554 -0.082 0.000 2.848 445 T HA 0.692 5.042 4.350 -0.001 0.000 0.285 445 T C -0.097 174.545 174.700 -0.096 0.000 0.995 445 T CA -0.323 61.723 62.100 -0.091 0.000 0.970 445 T CB 1.718 70.622 68.868 0.060 0.000 0.976 445 T HN 0.853 nan 8.240 nan 0.000 0.441 446 A N 1.698 124.379 122.820 -0.231 0.000 2.292 446 A HA 0.654 4.974 4.320 -0.001 0.000 0.319 446 A C -0.183 177.448 177.584 0.079 0.000 1.206 446 A CA -0.626 51.342 52.037 -0.114 0.000 0.835 446 A CB 0.302 19.172 19.000 -0.217 0.000 1.164 446 A HN 0.972 nan 8.150 nan 0.000 0.505 447 C N 2.789 122.162 119.300 0.123 0.000 2.301 447 C HA 0.676 5.135 4.460 -0.001 0.000 0.323 447 C C 0.121 175.188 174.990 0.128 0.000 1.265 447 C CA -0.646 58.471 59.018 0.165 0.000 1.503 447 C CB -0.089 27.718 27.740 0.111 0.000 2.195 447 C HN 0.820 nan 8.230 nan 0.000 0.477 448 V N 2.022 122.020 119.914 0.141 0.000 2.656 448 V HA 0.829 4.949 4.120 -0.001 0.000 0.307 448 V C -0.600 175.533 176.094 0.066 0.000 1.051 448 V CA -0.507 61.851 62.300 0.097 0.000 0.893 448 V CB 1.392 33.278 31.823 0.104 0.000 0.999 448 V HN 0.500 nan 8.190 nan 0.000 0.426 449 V N 5.685 125.622 119.914 0.039 0.000 2.394 449 V HA 0.494 4.613 4.120 -0.001 0.000 0.282 449 V C -2.116 173.982 176.094 0.006 0.000 1.031 449 V CA -1.687 60.627 62.300 0.024 0.000 0.881 449 V CB 1.394 33.228 31.823 0.019 0.000 0.982 449 V HN 0.866 nan 8.190 nan 0.000 0.451 450 P HA 0.310 nan 4.420 nan 0.000 0.276 450 P C -0.248 177.045 177.300 -0.012 0.000 1.244 450 P CA -0.637 62.455 63.100 -0.014 0.000 0.801 450 P CB 0.679 32.371 31.700 -0.014 0.000 1.006 451 R N 0.971 121.459 120.500 -0.020 0.000 2.734 451 R HA 0.119 4.459 4.340 -0.001 0.000 0.266 451 R C 0.422 176.715 176.300 -0.011 0.000 1.044 451 R CA -0.687 55.404 56.100 -0.015 0.000 1.128 451 R CB -0.032 30.256 30.300 -0.021 0.000 1.010 451 R HN 0.551 nan 8.270 nan 0.000 0.461 452 L N 3.004 124.223 121.223 -0.007 0.000 2.737 452 L HA -0.175 4.165 4.340 -0.001 0.000 0.279 452 L C 1.028 177.894 176.870 -0.007 0.000 1.200 452 L CA 2.081 56.918 54.840 -0.005 0.000 0.952 452 L CB -0.336 41.721 42.059 -0.003 0.000 1.240 452 L HN 1.071 nan 8.230 nan 0.000 0.486 453 G N 3.648 112.445 108.800 -0.006 0.000 2.234 453 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.235 453 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.235 453 G C 0.256 175.150 174.900 -0.010 0.000 0.997 453 G CA -0.022 45.074 45.100 -0.007 0.000 0.623 453 G HN 0.595 nan 8.290 nan 0.000 0.514 454 E N 1.325 121.517 120.200 -0.013 0.000 2.283 454 E HA 0.577 4.926 4.350 -0.001 0.000 0.271 454 E C 0.329 176.917 176.600 -0.020 0.000 1.031 454 E CA 0.071 56.460 56.400 -0.019 0.000 0.868 454 E CB 1.106 30.791 29.700 -0.025 0.000 1.094 454 E HN 0.292 nan 8.360 nan 0.000 0.401 455 T N 1.171 115.711 114.554 -0.024 0.000 2.927 455 T HA 0.656 5.006 4.350 -0.001 0.000 0.281 455 T C 0.368 175.044 174.700 -0.040 0.000 0.998 455 T CA -0.634 61.451 62.100 -0.026 0.000 1.019 455 T CB 0.752 69.605 68.868 -0.024 0.000 1.061 455 T HN 0.189 nan 8.240 nan 0.000 0.518 456 L N 0.680 121.876 121.223 -0.044 0.000 2.350 456 L HA 0.712 5.052 4.340 -0.001 0.000 0.260 456 L C -0.288 176.533 176.870 -0.081 0.000 1.015 456 L CA -0.901 53.896 54.840 -0.071 0.000 0.821 456 L CB 2.434 44.450 42.059 -0.072 0.000 1.370 456 L HN 0.601 nan 8.230 nan 0.000 0.416 457 S N -0.367 115.259 115.700 -0.123 0.000 2.521 457 S HA 0.621 5.090 4.470 -0.001 0.000 0.295 457 S C 0.582 175.044 174.600 -0.229 0.000 1.098 457 S CA 0.107 58.230 58.200 -0.129 0.000 0.999 457 S CB 1.917 65.054 63.200 -0.104 0.000 1.034 457 S HN 0.718 nan 8.310 nan 0.000 0.483 458 A N 3.696 126.392 122.820 -0.207 0.000 1.877 458 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 458 A C 1.681 179.076 177.584 -0.316 0.000 1.186 458 A CA 2.012 53.857 52.037 -0.320 0.000 0.620 458 A CB -0.887 18.070 19.000 -0.071 0.000 0.822 458 A HN 0.842 nan 8.150 nan 0.000 0.443 459 D N 0.055 120.363 120.400 -0.153 0.000 2.106 459 D HA -0.138 4.502 4.640 -0.001 0.000 0.191 459 D C 2.252 178.487 176.300 -0.108 0.000 0.997 459 D CA 1.888 55.830 54.000 -0.097 0.000 0.834 459 D CB -0.487 40.279 40.800 -0.057 0.000 0.956 459 D HN 0.418 nan 8.370 nan 0.000 0.448 460 A N 0.206 122.953 122.820 -0.122 0.000 1.930 460 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 460 A C 2.442 179.973 177.584 -0.089 0.000 1.175 460 A CA 0.864 52.851 52.037 -0.082 0.000 0.627 460 A CB -0.683 18.272 19.000 -0.076 0.000 0.815 460 A HN 0.220 nan 8.150 nan 0.000 0.443 461 L N -0.644 120.429 121.223 -0.250 0.000 2.093 461 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 461 L C 2.383 179.191 176.870 -0.103 0.000 1.085 461 L CA 1.623 56.293 54.840 -0.283 0.000 0.755 461 L CB -0.492 41.120 42.059 -0.745 0.000 0.904 461 L HN 0.446 nan 8.230 nan 0.000 0.435 462 D N -0.450 119.852 120.400 -0.163 0.000 2.097 462 D HA -0.184 4.456 4.640 -0.001 0.000 0.195 462 D C 2.006 178.346 176.300 0.066 0.000 0.989 462 D CA 1.797 55.838 54.000 0.070 0.000 0.827 462 D CB 0.084 40.930 40.800 0.077 0.000 0.966 462 D HN 0.112 nan 8.370 nan 0.000 0.456 463 T N -0.396 114.177 114.554 0.031 0.000 2.684 463 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 463 T C 1.645 176.380 174.700 0.058 0.000 1.036 463 T CA 1.266 63.387 62.100 0.035 0.000 1.148 463 T CB -0.701 68.182 68.868 0.024 0.000 0.863 463 T HN 0.252 nan 8.240 nan 0.000 0.436 464 F N 1.376 121.305 119.950 -0.036 0.000 2.069 464 F HA -0.211 4.316 4.527 -0.001 0.000 0.298 464 F C 2.557 178.356 175.800 -0.001 0.000 1.113 464 F CA 0.992 58.979 58.000 -0.021 0.000 1.214 464 F CB -0.796 38.186 39.000 -0.030 0.000 0.978 464 F HN 0.156 nan 8.300 nan 0.000 0.474 465 C N 0.941 120.328 119.300 0.145 0.000 2.403 465 C HA -0.193 4.267 4.460 -0.001 0.000 0.277 465 C C 2.809 177.761 174.990 -0.064 0.000 1.248 465 C CA 1.322 60.371 59.018 0.052 0.000 1.762 465 C CB -1.367 26.466 27.740 0.155 0.000 2.014 465 C HN 0.450 nan 8.230 nan 0.000 0.486 466 R N 0.286 120.761 120.500 -0.041 0.000 2.148 466 R HA -0.072 4.267 4.340 -0.001 0.000 0.227 466 R C 2.017 178.259 176.300 -0.096 0.000 1.103 466 R CA 1.278 57.347 56.100 -0.051 0.000 0.983 466 R CB -0.263 30.025 30.300 -0.020 0.000 0.874 466 R HN 0.446 nan 8.270 nan 0.000 0.451 467 S N 0.276 115.879 115.700 -0.163 0.000 2.593 467 S HA 0.007 4.477 4.470 -0.001 0.000 0.217 467 S C 0.761 175.213 174.600 -0.248 0.000 0.966 467 S CA 0.018 58.102 58.200 -0.194 0.000 0.914 467 S CB 0.272 63.339 63.200 -0.222 0.000 0.776 467 S HN 0.351 nan 8.310 nan 0.000 0.523 468 S N 0.859 116.396 115.700 -0.271 0.000 2.713 468 S HA 0.336 4.806 4.470 -0.001 0.000 0.277 468 S C 0.822 175.344 174.600 -0.130 0.000 1.168 468 S CA -0.639 57.418 58.200 -0.239 0.000 0.994 468 S CB 0.709 63.758 63.200 -0.251 0.000 1.054 468 S HN 0.075 nan 8.310 nan 0.000 0.555 469 E N -0.033 120.110 120.200 -0.096 0.000 2.338 469 E HA 0.077 4.426 4.350 -0.001 0.000 0.197 469 E C 0.202 176.761 176.600 -0.069 0.000 1.007 469 E CA 0.124 56.485 56.400 -0.065 0.000 0.849 469 E CB -0.320 29.355 29.700 -0.042 0.000 0.774 469 E HN 0.539 nan 8.360 nan 0.000 0.506 470 L N 1.577 122.752 121.223 -0.080 0.000 2.540 470 L HA -0.052 4.287 4.340 -0.001 0.000 0.276 470 L C 0.651 177.433 176.870 -0.147 0.000 1.212 470 L CA -0.372 54.402 54.840 -0.110 0.000 0.893 470 L CB 0.269 42.270 42.059 -0.096 0.000 1.138 470 L HN -0.017 nan 8.230 nan 0.000 0.491 471 A N 3.098 125.783 122.820 -0.225 0.000 2.483 471 A HA 0.054 4.374 4.320 -0.001 0.000 0.238 471 A C 1.200 178.579 177.584 -0.342 0.000 1.070 471 A CA -0.159 51.718 52.037 -0.265 0.000 0.770 471 A CB 0.209 19.009 19.000 -0.334 0.000 1.008 471 A HN 0.897 nan 8.150 nan 0.000 0.497 472 D N 1.993 122.306 120.400 -0.145 0.000 2.126 472 D HA -0.327 4.313 4.640 -0.001 0.000 0.190 472 D C 1.354 177.606 176.300 -0.080 0.000 1.001 472 D CA 2.292 56.257 54.000 -0.058 0.000 0.841 472 D CB -0.924 39.905 40.800 0.049 0.000 0.949 472 D HN 0.741 nan 8.370 nan 0.000 0.446 473 F N 0.693 120.648 119.950 0.008 0.000 2.333 473 F HA 0.142 4.669 4.527 -0.001 0.000 0.300 473 F C 2.067 177.867 175.800 -0.001 0.000 1.083 473 F CA 0.418 58.420 58.000 0.004 0.000 1.395 473 F CB -0.526 38.476 39.000 0.004 0.000 1.056 473 F HN -0.180 nan 8.300 nan 0.000 0.529 474 K N 0.730 120.743 120.400 -0.645 0.000 2.217 474 K HA 0.024 4.343 4.320 -0.001 0.000 0.202 474 K C 0.600 177.104 176.600 -0.161 0.000 1.051 474 K CA 0.304 56.359 56.287 -0.386 0.000 0.952 474 K CB -0.147 32.063 32.500 -0.484 0.000 0.736 474 K HN 0.246 nan 8.250 nan 0.000 0.453 475 R N 2.117 122.541 120.500 -0.127 0.000 2.522 475 R HA 0.046 4.385 4.340 -0.001 0.000 0.284 475 R C -2.467 173.798 176.300 -0.058 0.000 1.032 475 R CA -1.534 54.534 56.100 -0.052 0.000 1.049 475 R CB -0.406 29.885 30.300 -0.014 0.000 0.956 475 R HN -0.064 nan 8.270 nan 0.000 0.422 476 P HA -0.066 nan 4.420 nan 0.000 0.264 476 P C 0.096 177.280 177.300 -0.192 0.000 1.183 476 P CA 0.240 63.197 63.100 -0.238 0.000 0.763 476 P CB 0.565 31.915 31.700 -0.583 0.000 0.807 477 K N 2.078 122.380 120.400 -0.163 0.000 2.361 477 K HA 0.082 4.402 4.320 -0.001 0.000 0.196 477 K C 0.864 177.382 176.600 -0.137 0.000 1.039 477 K CA 0.714 56.939 56.287 -0.103 0.000 1.001 477 K CB 0.412 32.869 32.500 -0.071 0.000 0.795 477 K HN 0.439 nan 8.250 nan 0.000 0.495 478 R N -0.736 119.603 120.500 -0.268 0.000 2.739 478 R HA 0.331 4.671 4.340 -0.001 0.000 0.271 478 R C -1.704 174.296 176.300 -0.500 0.000 1.010 478 R CA -0.608 55.318 56.100 -0.291 0.000 0.897 478 R CB 1.498 31.639 30.300 -0.265 0.000 1.236 478 R HN -0.159 nan 8.270 nan 0.000 0.466 479 Y N 1.359 121.463 120.300 -0.326 0.000 2.406 479 Y HA 0.475 5.025 4.550 -0.001 0.000 0.340 479 Y C -0.940 174.700 175.900 -0.433 0.000 0.975 479 Y CA -0.501 57.454 58.100 -0.241 0.000 1.056 479 Y CB 1.792 40.175 38.460 -0.128 0.000 1.210 479 Y HN 0.370 nan 8.280 nan 0.000 0.448 480 F N 4.006 124.032 119.950 0.126 0.000 2.449 480 F HA 0.563 5.090 4.527 -0.001 0.000 0.342 480 F C -0.445 175.404 175.800 0.082 0.000 1.127 480 F CA -0.754 57.292 58.000 0.078 0.000 0.975 480 F CB 1.121 40.140 39.000 0.032 0.000 1.146 480 F HN 0.218 nan 8.300 nan 0.000 0.444 481 I N 5.078 125.777 120.570 0.215 0.000 2.331 481 I HA 0.412 4.581 4.170 -0.001 0.000 0.292 481 I C -0.604 175.584 176.117 0.118 0.000 0.998 481 I CA -0.142 61.237 61.300 0.132 0.000 1.267 481 I CB 0.877 38.918 38.000 0.068 0.000 1.386 481 I HN 0.414 nan 8.210 nan 0.000 0.476 482 L N 4.849 126.125 121.223 0.088 0.000 2.350 482 L HA 0.407 4.747 4.340 -0.001 0.000 0.260 482 L C 0.246 177.138 176.870 0.038 0.000 1.015 482 L CA -0.745 54.132 54.840 0.062 0.000 0.821 482 L CB 2.032 44.123 42.059 0.054 0.000 1.370 482 L HN 0.583 nan 8.230 nan 0.000 0.416 483 D N -0.823 119.592 120.400 0.026 0.000 2.355 483 D HA -0.006 4.634 4.640 -0.001 0.000 0.218 483 D C 0.221 176.529 176.300 0.013 0.000 1.004 483 D CA 0.463 54.473 54.000 0.017 0.000 0.880 483 D CB 0.541 41.349 40.800 0.013 0.000 0.911 483 D HN 0.470 nan 8.370 nan 0.000 0.528 484 Q N -0.575 119.234 119.800 0.014 0.000 2.503 484 Q HA 0.385 4.725 4.340 -0.001 0.000 0.268 484 Q C -2.020 173.985 176.000 0.008 0.000 0.982 484 Q CA -0.686 55.123 55.803 0.009 0.000 0.907 484 Q CB 1.307 30.047 28.738 0.004 0.000 1.467 484 Q HN 0.119 nan 8.270 nan 0.000 0.394 485 L N 4.018 125.245 121.223 0.007 0.000 2.307 485 L HA 0.571 4.911 4.340 -0.001 0.000 0.284 485 L C -2.074 174.796 176.870 -0.001 0.000 1.023 485 L CA -2.104 52.738 54.840 0.004 0.000 0.810 485 L CB 1.540 43.605 42.059 0.010 0.000 1.231 485 L HN 0.513 nan 8.230 nan 0.000 0.423 486 P HA 0.006 nan 4.420 nan 0.000 0.254 486 P C -1.013 176.284 177.300 -0.005 0.000 1.186 486 P CA 0.196 63.291 63.100 -0.009 0.000 0.868 486 P CB 0.081 31.771 31.700 -0.016 0.000 0.856 487 K N 3.403 123.802 120.400 -0.002 0.000 2.626 487 K HA 0.282 4.602 4.320 -0.001 0.000 0.223 487 K C 0.054 176.654 176.600 -0.001 0.000 0.992 487 K CA -0.247 56.040 56.287 0.001 0.000 1.024 487 K CB 0.720 33.222 32.500 0.005 0.000 1.225 487 K HN 0.157 nan 8.250 nan 0.000 0.498 488 N N 0.563 119.261 118.700 -0.003 0.000 2.194 488 N HA 0.116 4.855 4.740 -0.001 0.000 0.231 488 N C -0.386 175.120 175.510 -0.007 0.000 1.247 488 N CA -0.056 52.990 53.050 -0.006 0.000 0.884 488 N CB 1.323 39.804 38.487 -0.010 0.000 1.146 488 N HN 0.445 nan 8.380 nan 0.000 0.516 489 A N 0.867 123.686 122.820 -0.002 0.000 3.258 489 A HA 0.337 4.656 4.320 -0.001 0.000 0.275 489 A C 0.486 178.075 177.584 0.008 0.000 1.452 489 A CA -0.250 51.789 52.037 0.002 0.000 1.120 489 A CB -1.083 17.922 19.000 0.008 0.000 1.107 489 A HN 0.379 nan 8.150 nan 0.000 0.651 490 L N -0.834 120.390 121.223 0.003 0.000 3.976 490 L HA -0.307 4.033 4.340 -0.001 0.000 0.418 490 L C 0.203 177.083 176.870 0.017 0.000 1.177 490 L CA 0.606 55.452 54.840 0.010 0.000 0.968 490 L CB -2.439 39.628 42.059 0.013 0.000 1.933 490 L HN 0.775 nan 8.230 nan 0.000 0.976 491 N N -0.713 117.995 118.700 0.013 0.000 2.771 491 N HA -0.156 4.584 4.740 -0.001 0.000 0.249 491 N C 0.077 175.594 175.510 0.012 0.000 1.069 491 N CA 1.176 54.234 53.050 0.012 0.000 0.688 491 N CB -0.441 38.053 38.487 0.011 0.000 0.928 491 N HN 0.587 nan 8.380 nan 0.000 0.551 492 K N -0.615 119.795 120.400 0.016 0.000 4.456 492 K HA -0.203 4.117 4.320 -0.001 0.000 0.525 492 K C -0.130 176.479 176.600 0.014 0.000 1.365 492 K CA 0.706 57.004 56.287 0.019 0.000 1.087 492 K CB 0.020 32.535 32.500 0.025 0.000 1.880 492 K HN 0.225 nan 8.250 nan 0.000 0.270 493 V N 5.252 125.175 119.914 0.015 0.000 2.546 493 V HA 0.120 4.240 4.120 -0.001 0.000 0.284 493 V C 0.364 176.463 176.094 0.008 0.000 1.050 493 V CA -0.652 61.655 62.300 0.010 0.000 0.981 493 V CB 1.193 33.023 31.823 0.012 0.000 0.990 493 V HN 0.392 nan 8.190 nan 0.000 0.474 494 L N 6.593 127.818 121.223 0.002 0.000 2.384 494 L HA 0.305 4.645 4.340 -0.001 0.000 0.258 494 L C 1.718 178.585 176.870 -0.005 0.000 1.266 494 L CA 0.645 55.484 54.840 -0.002 0.000 1.162 494 L CB -0.954 41.101 42.059 -0.007 0.000 1.375 494 L HN 0.535 nan 8.230 nan 0.000 0.420 495 R N 0.507 121.007 120.500 0.001 0.000 2.113 495 R HA -0.188 4.152 4.340 -0.001 0.000 0.244 495 R C 1.918 178.212 176.300 -0.011 0.000 1.142 495 R CA 1.423 57.522 56.100 -0.002 0.000 0.953 495 R CB -0.166 30.138 30.300 0.008 0.000 0.860 495 R HN 0.496 nan 8.270 nan 0.000 0.438 496 R N 0.740 121.235 120.500 -0.008 0.000 2.094 496 R HA -0.203 4.137 4.340 -0.001 0.000 0.239 496 R C 2.224 178.510 176.300 -0.022 0.000 1.137 496 R CA 1.487 57.579 56.100 -0.013 0.000 0.943 496 R CB -0.810 29.485 30.300 -0.008 0.000 0.850 496 R HN 0.463 nan 8.270 nan 0.000 0.433 497 Q N 0.684 120.471 119.800 -0.022 0.000 2.119 497 Q HA -0.124 4.216 4.340 -0.001 0.000 0.201 497 Q C 2.171 178.146 176.000 -0.042 0.000 0.972 497 Q CA 0.988 56.774 55.803 -0.028 0.000 0.847 497 Q CB -0.019 28.706 28.738 -0.023 0.000 0.903 497 Q HN 0.160 nan 8.270 nan 0.000 0.433 498 L N 0.234 121.432 121.223 -0.041 0.000 1.989 498 L HA -0.192 4.148 4.340 -0.001 0.000 0.211 498 L C 2.302 179.119 176.870 -0.088 0.000 1.071 498 L CA 1.568 56.372 54.840 -0.060 0.000 0.749 498 L CB -0.887 41.145 42.059 -0.044 0.000 0.890 498 L HN 0.024 nan 8.230 nan 0.000 0.431 499 V N -0.183 119.688 119.914 -0.071 0.000 2.250 499 V HA -0.447 3.673 4.120 -0.001 0.000 0.253 499 V C 3.085 179.125 176.094 -0.090 0.000 1.065 499 V CA 2.838 65.091 62.300 -0.078 0.000 1.039 499 V CB -1.811 29.983 31.823 -0.048 0.000 0.647 499 V HN 0.753 nan 8.190 nan 0.000 0.446 500 Q N -0.672 119.087 119.800 -0.068 0.000 2.030 500 Q HA -0.353 3.986 4.340 -0.001 0.000 0.204 500 Q C 2.239 178.188 176.000 -0.085 0.000 0.986 500 Q CA 2.556 58.321 55.803 -0.064 0.000 0.843 500 Q CB -0.914 27.797 28.738 -0.045 0.000 0.904 500 Q HN 0.775 nan 8.270 nan 0.000 0.420 501 Q N -0.092 119.652 119.800 -0.094 0.000 2.077 501 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 501 Q C 2.170 178.069 176.000 -0.168 0.000 0.989 501 Q CA 2.839 58.575 55.803 -0.110 0.000 0.853 501 Q CB -0.301 28.375 28.738 -0.102 0.000 0.907 501 Q HN 0.801 nan 8.270 nan 0.000 0.418 502 V N -2.774 116.989 119.914 -0.251 0.000 2.878 502 V HA 0.222 4.342 4.120 -0.001 0.000 0.250 502 V C 1.460 177.362 176.094 -0.320 0.000 1.075 502 V CA 0.724 62.759 62.300 -0.440 0.000 1.096 502 V CB -1.043 30.255 31.823 -0.876 0.000 0.724 502 V HN 0.324 nan 8.190 nan 0.000 0.467 503 S N 0.000 115.587 115.700 -0.188 0.000 2.498 503 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 503 S CA 0.000 58.139 58.200 -0.101 0.000 1.107 503 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517