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 1o76_1_B DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIQRPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.502 175.510 -0.013 0.000 1.280 10 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 10 N CB 0.000 38.479 38.487 -0.014 0.000 1.341 11 L N 0.997 122.213 121.223 -0.011 0.000 2.296 11 L HA 0.837 5.180 4.340 0.005 0.000 0.286 11 L C 0.554 177.433 176.870 0.016 0.000 1.023 11 L CA -0.854 53.983 54.840 -0.007 0.000 0.812 11 L CB 0.983 43.033 42.059 -0.015 0.000 1.223 11 L HN 0.368 nan 8.230 nan 0.000 0.421 12 A N 6.128 128.970 122.820 0.037 0.000 2.425 12 A HA 0.547 4.870 4.320 0.005 0.000 0.249 12 A C -2.107 175.518 177.584 0.067 0.000 1.084 12 A CA -0.916 51.158 52.037 0.061 0.000 0.781 12 A CB -0.417 18.640 19.000 0.095 0.000 1.019 12 A HN 0.532 nan 8.150 nan 0.000 0.490 13 P HA 0.096 nan 4.420 nan 0.000 0.264 13 P C -0.363 176.937 177.300 0.001 0.000 1.193 13 P CA -0.123 62.987 63.100 0.016 0.000 0.763 13 P CB 0.283 31.988 31.700 0.008 0.000 0.810 14 L N 7.377 128.568 121.223 -0.053 0.000 2.477 14 L HA 0.216 4.559 4.340 0.005 0.000 0.272 14 L C -2.064 174.654 176.870 -0.252 0.000 1.157 14 L CA -1.395 53.333 54.840 -0.187 0.000 0.889 14 L CB -0.646 41.286 42.059 -0.211 0.000 1.158 14 L HN 0.323 nan 8.230 nan 0.000 0.473 15 P HA 0.116 nan 4.420 nan 0.000 0.267 15 P C -2.141 174.991 177.300 -0.280 0.000 1.200 15 P CA -0.858 62.071 63.100 -0.286 0.000 0.772 15 P CB 0.091 31.579 31.700 -0.354 0.000 0.855 16 P HA -0.202 nan 4.420 nan 0.000 0.217 16 P C 1.141 178.416 177.300 -0.041 0.000 1.148 16 P CA 1.429 64.498 63.100 -0.052 0.000 0.828 16 P CB -0.358 31.348 31.700 0.011 0.000 0.783 17 H N -2.209 116.791 119.070 -0.116 0.000 2.551 17 H HA 0.118 4.676 4.556 0.004 0.000 0.266 17 H C 0.068 175.352 175.328 -0.074 0.000 0.964 17 H CA 0.255 56.265 56.048 -0.062 0.000 1.180 17 H CB -0.664 29.096 29.762 -0.004 0.000 1.408 17 H HN -0.087 nan 8.280 nan 0.000 0.563 18 V N 4.492 123.975 119.914 -0.718 0.000 2.389 18 V HA 0.176 4.299 4.120 0.005 0.000 0.264 18 V C -2.055 173.834 176.094 -0.342 0.000 1.049 18 V CA -1.567 60.330 62.300 -0.672 0.000 0.932 18 V CB 0.980 31.962 31.823 -1.401 0.000 1.011 18 V HN 0.175 nan 8.190 nan 0.000 0.475 19 P HA 0.017 nan 4.420 nan 0.000 0.261 19 P C 0.518 177.753 177.300 -0.107 0.000 1.173 19 P CA 0.213 63.281 63.100 -0.053 0.000 0.760 19 P CB 0.702 32.373 31.700 -0.048 0.000 0.783 20 E N 1.724 121.931 120.200 0.012 0.000 2.110 20 E HA -0.217 4.136 4.350 0.005 0.000 0.193 20 E C 1.679 178.310 176.600 0.051 0.000 0.988 20 E CA 1.333 57.738 56.400 0.009 0.000 0.804 20 E CB -0.593 29.132 29.700 0.042 0.000 0.745 20 E HN 0.621 nan 8.360 nan 0.000 0.458 21 H N -0.334 118.748 119.070 0.020 0.000 2.559 21 H HA 0.031 4.590 4.556 0.005 0.000 0.273 21 H C 1.231 176.605 175.328 0.078 0.000 1.000 21 H CA 0.659 56.733 56.048 0.043 0.000 1.195 21 H CB -0.231 29.552 29.762 0.037 0.000 1.368 21 H HN 0.203 nan 8.280 nan 0.000 0.592 22 L N 1.144 122.185 121.223 -0.304 0.000 2.667 22 L HA 0.201 4.544 4.340 0.005 0.000 0.232 22 L C 0.176 177.083 176.870 0.061 0.000 1.138 22 L CA -0.291 54.472 54.840 -0.128 0.000 0.921 22 L CB 0.748 42.741 42.059 -0.111 0.000 1.180 22 L HN -0.042 nan 8.230 nan 0.000 0.487 23 V N 0.877 120.826 119.914 0.057 0.000 2.508 23 V HA 0.045 4.168 4.120 0.005 0.000 0.281 23 V C -0.573 175.626 176.094 0.177 0.000 1.041 23 V CA 0.290 62.662 62.300 0.119 0.000 1.016 23 V CB 0.894 32.753 31.823 0.059 0.000 0.984 23 V HN 0.120 nan 8.190 nan 0.000 0.478 24 F N 3.960 123.917 119.950 0.012 0.000 3.034 24 F HA 0.385 4.915 4.527 0.004 0.000 0.371 24 F C 0.195 175.980 175.800 -0.024 0.000 1.233 24 F CA -0.778 57.220 58.000 -0.003 0.000 1.134 24 F CB 1.236 40.230 39.000 -0.009 0.000 1.495 24 F HN 0.520 nan 8.300 nan 0.000 0.563 25 D N 6.303 126.578 120.400 -0.208 0.000 2.662 25 D HA -0.037 4.606 4.640 0.005 0.000 0.228 25 D C -0.188 176.031 176.300 -0.135 0.000 1.093 25 D CA 0.510 54.415 54.000 -0.157 0.000 1.075 25 D CB -0.293 40.405 40.800 -0.169 0.000 1.122 25 D HN 0.263 nan 8.370 nan 0.000 0.475 26 F N 1.678 121.566 119.950 -0.104 0.000 2.412 26 F HA 0.136 4.665 4.527 0.005 0.000 0.348 26 F C 0.424 176.115 175.800 -0.182 0.000 1.102 26 F CA -0.684 57.267 58.000 -0.081 0.000 1.196 26 F CB 0.927 39.954 39.000 0.046 0.000 1.144 26 F HN -0.135 nan 8.300 nan 0.000 0.541 27 D N 7.222 127.092 120.400 -0.884 0.000 2.460 27 D HA 0.112 4.755 4.640 0.005 0.000 0.232 27 D C 0.932 176.692 176.300 -0.901 0.000 1.079 27 D CA -0.416 53.213 54.000 -0.618 0.000 0.864 27 D CB 0.912 41.491 40.800 -0.368 0.000 1.048 27 D HN 0.748 nan 8.370 nan 0.000 0.523 28 M N 1.707 120.930 119.600 -0.628 0.000 2.446 28 M HA -0.104 4.379 4.480 0.005 0.000 0.263 28 M C 0.252 176.308 176.300 -0.407 0.000 1.066 28 M CA 1.296 56.271 55.300 -0.540 0.000 1.087 28 M CB -0.232 32.207 32.600 -0.269 0.000 1.406 28 M HN 0.228 nan 8.290 nan 0.000 0.459 29 Y N 0.407 120.641 120.300 -0.110 0.000 2.458 29 Y HA 0.293 4.847 4.550 0.007 0.000 0.256 29 Y C 0.520 176.385 175.900 -0.059 0.000 1.159 29 Y CA -0.195 57.886 58.100 -0.030 0.000 1.261 29 Y CB 0.550 38.999 38.460 -0.018 0.000 1.119 29 Y HN 0.454 nan 8.280 nan 0.000 0.524 30 N N 0.839 119.504 118.700 -0.057 0.000 2.725 30 N HA 0.080 4.822 4.740 0.005 0.000 0.225 30 N C -3.198 172.181 175.510 -0.217 0.000 1.465 30 N CA -1.024 51.982 53.050 -0.074 0.000 0.830 30 N CB 0.814 39.282 38.487 -0.032 0.000 1.460 30 N HN -0.180 nan 8.380 nan 0.000 0.538 31 P HA 0.062 nan 4.420 nan 0.000 0.266 31 P C 0.547 177.733 177.300 -0.190 0.000 1.195 31 P CA 0.097 62.922 63.100 -0.457 0.000 0.768 31 P CB 1.483 32.893 31.700 -0.485 0.000 0.838 32 S N 1.851 117.453 115.700 -0.165 0.000 2.383 32 S HA -0.169 4.304 4.470 0.005 0.000 0.229 32 S C 1.518 176.112 174.600 -0.010 0.000 1.030 32 S CA 1.382 59.539 58.200 -0.072 0.000 1.002 32 S CB -0.717 62.445 63.200 -0.064 0.000 0.829 32 S HN 0.682 nan 8.310 nan 0.000 0.467 33 N N 0.772 119.489 118.700 0.030 0.000 2.313 33 N HA 0.072 4.815 4.740 0.005 0.000 0.207 33 N C 1.365 176.924 175.510 0.083 0.000 1.141 33 N CA -0.149 52.939 53.050 0.063 0.000 0.830 33 N CB -0.063 38.480 38.487 0.095 0.000 1.008 33 N HN 0.124 nan 8.380 nan 0.000 0.481 34 L N 1.325 122.592 121.223 0.074 0.000 2.089 34 L HA -0.250 4.092 4.340 0.005 0.000 0.213 34 L C 2.321 179.253 176.870 0.103 0.000 1.079 34 L CA 1.910 56.819 54.840 0.116 0.000 0.758 34 L CB -0.957 41.158 42.059 0.095 0.000 0.891 34 L HN 0.282 nan 8.230 nan 0.000 0.433 35 S N -1.320 114.415 115.700 0.058 0.000 2.469 35 S HA -0.055 4.417 4.470 0.005 0.000 0.238 35 S C 1.784 176.395 174.600 0.019 0.000 0.998 35 S CA 0.683 58.900 58.200 0.029 0.000 0.957 35 S CB -0.736 62.476 63.200 0.020 0.000 0.764 35 S HN 0.497 nan 8.310 nan 0.000 0.514 36 A N 0.826 123.676 122.820 0.050 0.000 2.275 36 A HA 0.625 4.948 4.320 0.005 0.000 0.212 36 A C 1.060 178.692 177.584 0.080 0.000 1.201 36 A CA 0.163 52.231 52.037 0.052 0.000 0.843 36 A CB -0.551 18.487 19.000 0.063 0.000 0.873 36 A HN 1.512 nan 8.150 nan 0.000 0.492 37 G N -1.992 106.874 108.800 0.110 0.000 2.764 37 G HA2 0.110 4.073 3.960 0.005 0.000 0.678 37 G HA3 0.110 4.073 3.960 0.005 0.000 0.678 37 G C 0.364 175.507 174.900 0.404 0.000 1.341 37 G CA -0.197 45.059 45.100 0.260 0.000 0.836 37 G HN 0.782 nan 8.290 nan 0.000 0.632 38 V N 1.731 122.051 119.914 0.677 0.000 2.332 38 V HA -0.187 3.936 4.120 0.005 0.000 0.248 38 V C 2.697 179.002 176.094 0.351 0.000 1.055 38 V CA 3.339 65.909 62.300 0.451 0.000 1.038 38 V CB -0.253 31.796 31.823 0.377 0.000 0.651 38 V HN 0.806 nan 8.190 nan 0.000 0.450 39 Q N -0.168 119.716 119.800 0.139 0.000 2.119 39 Q HA -0.186 4.156 4.340 0.005 0.000 0.201 39 Q C 2.077 178.156 176.000 0.132 0.000 0.972 39 Q CA 1.940 57.763 55.803 0.034 0.000 0.847 39 Q CB -0.278 28.373 28.738 -0.145 0.000 0.903 39 Q HN 0.682 nan 8.270 nan 0.000 0.433 40 E N 0.073 120.362 120.200 0.147 0.000 2.150 40 E HA -0.076 4.276 4.350 0.005 0.000 0.193 40 E C 1.775 178.479 176.600 0.175 0.000 0.985 40 E CA 1.083 57.559 56.400 0.127 0.000 0.814 40 E CB -0.332 29.434 29.700 0.110 0.000 0.752 40 E HN 0.392 nan 8.360 nan 0.000 0.466 41 A N -0.069 122.899 122.820 0.247 0.000 1.902 41 A HA -0.161 4.162 4.320 0.005 0.000 0.217 41 A C 1.741 179.512 177.584 0.312 0.000 1.181 41 A CA 1.234 53.423 52.037 0.255 0.000 0.623 41 A CB -0.968 18.184 19.000 0.255 0.000 0.818 41 A HN 0.356 nan 8.150 nan 0.000 0.443 42 W N -0.319 121.090 121.300 0.181 0.000 2.402 42 W HA 0.119 4.781 4.660 0.003 0.000 0.286 42 W C 2.571 179.032 176.519 -0.098 0.000 1.221 42 W CA 1.024 58.407 57.345 0.064 0.000 1.257 42 W CB -0.260 29.203 29.460 0.005 0.000 1.120 42 W HN 0.362 nan 8.180 nan 0.000 0.551 43 A N 0.415 123.332 122.820 0.163 0.000 2.225 43 A HA -0.093 4.230 4.320 0.005 0.000 0.215 43 A C 1.958 179.542 177.584 -0.001 0.000 1.164 43 A CA 1.642 53.704 52.037 0.042 0.000 0.710 43 A CB -1.182 17.837 19.000 0.033 0.000 0.780 43 A HN 0.266 nan 8.150 nan 0.000 0.473 44 V N -2.580 117.354 119.914 0.034 0.000 2.913 44 V HA -0.120 4.003 4.120 0.005 0.000 0.260 44 V C 1.879 177.911 176.094 -0.104 0.000 1.098 44 V CA 1.733 64.061 62.300 0.047 0.000 1.121 44 V CB -0.864 31.071 31.823 0.186 0.000 0.714 44 V HN 0.457 nan 8.190 nan 0.000 0.487 45 L N -0.255 120.807 121.223 -0.269 0.000 2.465 45 L HA 0.046 4.389 4.340 0.005 0.000 0.224 45 L C 2.384 179.048 176.870 -0.344 0.000 1.145 45 L CA 1.056 55.587 54.840 -0.515 0.000 0.834 45 L CB -0.332 41.379 42.059 -0.579 0.000 0.944 45 L HN 0.418 nan 8.230 nan 0.000 0.451 46 Q N -0.711 118.972 119.800 -0.196 0.000 2.179 46 Q HA 0.141 4.483 4.340 0.005 0.000 0.213 46 Q C -0.071 175.873 176.000 -0.092 0.000 0.833 46 Q CA -0.195 55.526 55.803 -0.137 0.000 0.990 46 Q CB 0.694 29.372 28.738 -0.098 0.000 1.132 46 Q HN 0.450 nan 8.270 nan 0.000 0.493 47 E N 0.777 120.927 120.200 -0.083 0.000 2.409 47 E HA -0.035 4.318 4.350 0.005 0.000 0.257 47 E C 1.008 177.586 176.600 -0.036 0.000 1.150 47 E CA 0.376 56.756 56.400 -0.034 0.000 0.942 47 E CB 0.737 30.441 29.700 0.007 0.000 0.979 47 E HN 0.190 nan 8.360 nan 0.000 0.447 48 S N 1.862 117.553 115.700 -0.015 0.000 2.372 48 S HA -0.300 4.173 4.470 0.005 0.000 0.227 48 S C 1.110 175.705 174.600 -0.009 0.000 1.044 48 S CA 2.033 60.226 58.200 -0.013 0.000 1.050 48 S CB -0.413 62.786 63.200 -0.002 0.000 0.901 48 S HN 0.532 nan 8.310 nan 0.000 0.447 49 N N 0.747 119.452 118.700 0.007 0.000 2.322 49 N HA 0.246 4.988 4.740 0.005 0.000 0.194 49 N C -0.955 174.564 175.510 0.016 0.000 1.126 49 N CA -0.115 52.947 53.050 0.021 0.000 0.845 49 N CB 0.485 38.998 38.487 0.043 0.000 0.976 49 N HN 0.221 nan 8.380 nan 0.000 0.475 50 V N 2.382 122.276 119.914 -0.034 0.000 2.432 50 V HA 0.245 4.368 4.120 0.005 0.000 0.275 50 V C -1.785 174.252 176.094 -0.095 0.000 1.043 50 V CA -1.721 60.518 62.300 -0.102 0.000 0.925 50 V CB 0.820 32.477 31.823 -0.278 0.000 0.985 50 V HN 0.006 nan 8.190 nan 0.000 0.466 51 P HA 0.107 nan 4.420 nan 0.000 0.270 51 P C 0.338 177.590 177.300 -0.080 0.000 1.227 51 P CA -0.213 62.864 63.100 -0.038 0.000 0.788 51 P CB 0.610 32.315 31.700 0.007 0.000 0.926 52 D N -0.630 119.725 120.400 -0.074 0.000 2.219 52 D HA -0.007 4.636 4.640 0.005 0.000 0.205 52 D C 0.279 176.515 176.300 -0.107 0.000 0.970 52 D CA 1.289 55.219 54.000 -0.117 0.000 0.851 52 D CB -0.112 40.595 40.800 -0.154 0.000 0.943 52 D HN 0.043 nan 8.370 nan 0.000 0.488 53 L N 0.612 121.809 121.223 -0.044 0.000 2.439 53 L HA 0.371 4.714 4.340 0.005 0.000 0.270 53 L C -0.861 176.109 176.870 0.167 0.000 0.972 53 L CA -1.030 53.837 54.840 0.045 0.000 0.836 53 L CB 1.782 43.850 42.059 0.015 0.000 1.255 53 L HN -0.152 nan 8.230 nan 0.000 0.404 54 V N 1.726 121.765 119.914 0.208 0.000 3.046 54 V HA 0.694 4.817 4.120 0.005 0.000 0.316 54 V C -1.315 174.983 176.094 0.340 0.000 1.104 54 V CA -0.742 61.702 62.300 0.239 0.000 1.006 54 V CB 2.113 33.975 31.823 0.065 0.000 1.058 54 V HN 0.936 nan 8.190 nan 0.000 0.440 55 W N 2.177 123.464 121.300 -0.021 0.000 2.532 55 W HA 0.651 5.314 4.660 0.005 0.000 0.321 55 W C -0.945 175.438 176.519 -0.228 0.000 1.037 55 W CA -0.252 56.904 57.345 -0.314 0.000 1.220 55 W CB 1.918 30.976 29.460 -0.671 0.000 1.361 55 W HN 0.868 nan 8.180 nan 0.000 0.468 56 T N 5.303 119.372 114.554 -0.809 0.000 2.824 56 T HA 0.376 4.729 4.350 0.005 0.000 0.280 56 T C 0.961 175.257 174.700 -0.672 0.000 0.995 56 T CA -0.419 61.359 62.100 -0.537 0.000 1.009 56 T CB 1.145 69.724 68.868 -0.481 0.000 0.955 56 T HN 0.627 nan 8.240 nan 0.000 0.452 57 R N 1.973 122.348 120.500 -0.208 0.000 2.310 57 R HA 0.195 4.538 4.340 0.005 0.000 0.202 57 R C 0.610 176.853 176.300 -0.096 0.000 0.933 57 R CA -0.159 55.913 56.100 -0.047 0.000 1.054 57 R CB -0.242 30.093 30.300 0.060 0.000 0.985 57 R HN 0.555 nan 8.270 nan 0.000 0.489 58 C N 1.531 120.735 119.300 -0.160 0.000 2.563 58 C HA 0.116 4.579 4.460 0.005 0.000 0.358 58 C C 0.935 175.908 174.990 -0.030 0.000 1.336 58 C CA -0.798 58.167 59.018 -0.089 0.000 2.454 58 C CB 0.378 28.056 27.740 -0.104 0.000 2.448 58 C HN 0.624 nan 8.230 nan 0.000 0.670 59 N N 0.693 119.419 118.700 0.043 0.000 2.710 59 N HA -0.219 4.524 4.740 0.005 0.000 0.249 59 N C 0.909 176.478 175.510 0.099 0.000 1.059 59 N CA 1.502 54.617 53.050 0.109 0.000 0.720 59 N CB -1.245 37.368 38.487 0.209 0.000 0.983 59 N HN 1.390 nan 8.380 nan 0.000 0.544 60 G N -1.599 107.236 108.800 0.059 0.000 2.217 60 G HA2 0.014 3.976 3.960 0.005 0.000 0.246 60 G HA3 0.014 3.976 3.960 0.005 0.000 0.246 60 G C 0.455 175.395 174.900 0.067 0.000 0.990 60 G CA 0.640 45.781 45.100 0.069 0.000 0.627 60 G HN 1.625 nan 8.290 nan 0.000 0.522 61 G N -0.693 108.080 108.800 -0.044 0.000 3.322 61 G HA2 0.573 4.535 3.960 0.005 0.000 0.686 61 G HA3 0.573 4.535 3.960 0.005 0.000 0.686 61 G C -0.529 173.946 174.900 -0.708 0.000 1.015 61 G CA 0.637 45.557 45.100 -0.299 0.000 0.826 61 G HN 2.851 nan 8.290 nan 0.000 0.538 62 H N -1.484 116.613 119.070 -1.621 0.000 2.987 62 H HA 0.664 5.222 4.556 0.005 0.000 0.316 62 H C -0.522 174.092 175.328 -1.190 0.000 1.380 62 H CA -1.601 53.672 56.048 -1.292 0.000 1.160 62 H CB 0.106 29.598 29.762 -0.450 0.000 1.865 62 H HN 0.646 nan 8.280 nan 0.000 0.521 63 W N 0.781 121.927 121.300 -0.256 0.000 2.141 63 W HA 0.634 5.297 4.660 0.004 0.000 0.354 63 W C -0.237 176.306 176.519 0.039 0.000 1.297 63 W CA -0.538 56.803 57.345 -0.008 0.000 1.380 63 W CB 0.762 30.339 29.460 0.195 0.000 1.168 63 W HN 0.463 nan 8.180 nan 0.000 0.639 64 I N 2.035 122.786 120.570 0.300 0.000 2.611 64 I HA 0.286 4.459 4.170 0.005 0.000 0.287 64 I C -0.530 175.631 176.117 0.074 0.000 1.184 64 I CA -1.045 60.339 61.300 0.139 0.000 1.054 64 I CB 1.274 39.284 38.000 0.017 0.000 1.257 64 I HN 0.450 nan 8.210 nan 0.000 0.435 65 A N 3.292 126.123 122.820 0.019 0.000 2.362 65 A HA 0.517 4.839 4.320 0.005 0.000 0.276 65 A C 0.959 178.496 177.584 -0.078 0.000 1.153 65 A CA -0.026 51.986 52.037 -0.042 0.000 0.813 65 A CB 0.263 19.212 19.000 -0.085 0.000 1.081 65 A HN 0.838 nan 8.150 nan 0.000 0.507 66 T N -0.226 114.259 114.554 -0.115 0.000 3.069 66 T HA 0.254 4.607 4.350 0.005 0.000 0.252 66 T C 0.548 175.171 174.700 -0.128 0.000 1.053 66 T CA -0.101 61.913 62.100 -0.144 0.000 0.964 66 T CB 0.049 68.794 68.868 -0.205 0.000 1.005 66 T HN 0.519 nan 8.240 nan 0.000 0.532 67 R N 0.199 120.623 120.500 -0.126 0.000 2.686 67 R HA 0.585 4.928 4.340 0.005 0.000 0.286 67 R C 1.472 177.705 176.300 -0.111 0.000 0.969 67 R CA -0.373 55.656 56.100 -0.118 0.000 0.898 67 R CB 1.156 31.378 30.300 -0.129 0.000 1.183 67 R HN 0.199 nan 8.270 nan 0.000 0.456 68 G N 1.137 109.881 108.800 -0.094 0.000 2.505 68 G HA2 -0.368 3.595 3.960 0.005 0.000 0.220 68 G HA3 -0.368 3.595 3.960 0.005 0.000 0.220 68 G C 1.130 175.969 174.900 -0.102 0.000 1.145 68 G CA 1.104 46.148 45.100 -0.093 0.000 0.761 68 G HN 0.522 nan 8.290 nan 0.000 0.571 69 Q N -0.084 119.657 119.800 -0.098 0.000 2.077 69 Q HA -0.092 4.251 4.340 0.005 0.000 0.206 69 Q C 2.392 178.335 176.000 -0.095 0.000 0.989 69 Q CA 1.470 57.223 55.803 -0.083 0.000 0.853 69 Q CB -0.457 28.235 28.738 -0.076 0.000 0.907 69 Q HN 0.415 nan 8.270 nan 0.000 0.418 70 L N -0.467 120.644 121.223 -0.186 0.000 2.109 70 L HA -0.015 4.328 4.340 0.005 0.000 0.207 70 L C 2.205 179.045 176.870 -0.049 0.000 1.086 70 L CA 1.079 55.814 54.840 -0.175 0.000 0.760 70 L CB -0.456 41.408 42.059 -0.325 0.000 0.910 70 L HN 0.276 nan 8.230 nan 0.000 0.437 71 I N -0.800 119.713 120.570 -0.095 0.000 2.179 71 I HA -0.320 3.852 4.170 0.005 0.000 0.242 71 I C 2.638 178.750 176.117 -0.008 0.000 1.088 71 I CA 1.274 62.518 61.300 -0.093 0.000 1.357 71 I CB -0.286 37.703 38.000 -0.017 0.000 1.051 71 I HN 0.206 nan 8.210 nan 0.000 0.409 72 R N 0.619 121.086 120.500 -0.055 0.000 2.073 72 R HA -0.166 4.176 4.340 0.005 0.000 0.234 72 R C 2.234 178.613 176.300 0.131 0.000 1.134 72 R CA 1.464 57.477 56.100 -0.144 0.000 0.952 72 R CB -0.337 29.728 30.300 -0.391 0.000 0.850 72 R HN 0.430 nan 8.270 nan 0.000 0.433 73 E N 0.507 120.786 120.200 0.131 0.000 2.058 73 E HA -0.220 4.132 4.350 0.005 0.000 0.194 73 E C 2.109 178.837 176.600 0.213 0.000 0.997 73 E CA 1.332 57.883 56.400 0.250 0.000 0.801 73 E CB -0.166 29.769 29.700 0.392 0.000 0.746 73 E HN 0.382 nan 8.360 nan 0.000 0.450 74 A N 0.576 123.372 122.820 -0.040 0.000 1.902 74 A HA -0.194 4.128 4.320 0.005 0.000 0.217 74 A C 1.850 179.317 177.584 -0.195 0.000 1.181 74 A CA 1.314 53.010 52.037 -0.569 0.000 0.623 74 A CB -0.759 17.461 19.000 -1.299 0.000 0.818 74 A HN 0.272 nan 8.150 nan 0.000 0.443 75 Y N 0.381 120.697 120.300 0.028 0.000 2.421 75 Y HA -0.071 4.481 4.550 0.004 0.000 0.292 75 Y C 2.233 178.286 175.900 0.254 0.000 1.136 75 Y CA 1.336 59.532 58.100 0.160 0.000 1.255 75 Y CB -0.168 38.417 38.460 0.208 0.000 0.991 75 Y HN 0.499 nan 8.280 nan 0.000 0.552 76 E N -1.121 119.319 120.200 0.399 0.000 2.385 76 E HA -0.077 4.276 4.350 0.005 0.000 0.194 76 E C 0.221 176.961 176.600 0.234 0.000 1.013 76 E CA 0.417 57.009 56.400 0.320 0.000 0.866 76 E CB 0.204 30.073 29.700 0.281 0.000 0.832 76 E HN 0.120 nan 8.360 nan 0.000 0.500 77 D N 0.316 120.861 120.400 0.241 0.000 2.557 77 D HA -0.002 4.641 4.640 0.005 0.000 0.236 77 D C 0.388 176.765 176.300 0.127 0.000 1.154 77 D CA -0.540 53.531 54.000 0.118 0.000 0.985 77 D CB -0.100 40.867 40.800 0.280 0.000 1.010 77 D HN 0.162 nan 8.370 nan 0.000 0.516 78 Y N 0.713 121.104 120.300 0.151 0.000 2.574 78 Y HA 0.111 4.664 4.550 0.005 0.000 0.294 78 Y C 1.836 177.736 175.900 0.001 0.000 1.142 78 Y CA 0.332 58.506 58.100 0.123 0.000 1.314 78 Y CB -0.349 38.194 38.460 0.139 0.000 0.991 78 Y HN 0.052 nan 8.280 nan 0.000 0.555 79 R N -0.359 119.948 120.500 -0.323 0.000 2.115 79 R HA -0.069 4.273 4.340 0.005 0.000 0.226 79 R C 1.286 177.311 176.300 -0.458 0.000 1.100 79 R CA 1.844 57.728 56.100 -0.360 0.000 0.980 79 R CB -0.308 29.652 30.300 -0.566 0.000 0.875 79 R HN 0.573 nan 8.270 nan 0.000 0.445 80 H N -2.210 116.599 119.070 -0.435 0.000 2.557 80 H HA 0.124 4.683 4.556 0.004 0.000 0.281 80 H C -0.305 174.581 175.328 -0.737 0.000 0.990 80 H CA 0.181 55.782 56.048 -0.743 0.000 1.278 80 H CB 0.533 29.462 29.762 -1.389 0.000 1.451 80 H HN -0.052 nan 8.280 nan 0.000 0.516 81 F N 1.214 121.151 119.950 -0.023 0.000 2.307 81 F HA 0.304 4.833 4.527 0.004 0.000 0.369 81 F C 0.303 176.123 175.800 0.034 0.000 1.076 81 F CA -0.724 57.258 58.000 -0.030 0.000 1.149 81 F CB 1.093 40.026 39.000 -0.112 0.000 1.410 81 F HN -0.093 nan 8.300 nan 0.000 0.481 82 S N 0.860 116.649 115.700 0.149 0.000 2.584 82 S HA 0.246 4.719 4.470 0.005 0.000 0.273 82 S C 1.094 175.753 174.600 0.098 0.000 1.311 82 S CA -0.450 57.828 58.200 0.131 0.000 1.034 82 S CB 1.022 64.270 63.200 0.081 0.000 0.939 82 S HN 0.508 nan 8.310 nan 0.000 0.513 83 S N 2.541 118.285 115.700 0.074 0.000 2.605 83 S HA 0.078 4.551 4.470 0.005 0.000 0.217 83 S C 1.484 176.069 174.600 -0.025 0.000 0.958 83 S CA -0.097 58.087 58.200 -0.026 0.000 0.919 83 S CB -0.157 62.944 63.200 -0.164 0.000 0.780 83 S HN 0.854 nan 8.310 nan 0.000 0.507 84 E N 0.459 120.674 120.200 0.024 0.000 2.085 84 E HA -0.177 4.176 4.350 0.005 0.000 0.194 84 E C 0.505 177.101 176.600 -0.007 0.000 0.994 84 E CA 0.881 57.297 56.400 0.027 0.000 0.801 84 E CB 0.088 29.811 29.700 0.039 0.000 0.743 84 E HN 0.418 nan 8.360 nan 0.000 0.453 85 C N 1.884 121.170 119.300 -0.024 0.000 3.003 85 C HA 0.429 4.891 4.460 0.005 0.000 0.241 85 C C -1.871 173.071 174.990 -0.079 0.000 1.224 85 C CA -1.690 57.297 59.018 -0.052 0.000 1.560 85 C CB 0.703 28.441 27.740 -0.003 0.000 1.768 85 C HN 0.310 nan 8.230 nan 0.000 0.440 86 P HA 0.090 nan 4.420 nan 0.000 0.245 86 P C 0.101 177.462 177.300 0.101 0.000 1.206 86 P CA 0.600 63.614 63.100 -0.143 0.000 0.781 86 P CB 0.143 31.626 31.700 -0.362 0.000 0.994 87 F N -0.068 119.679 119.950 -0.339 0.000 2.538 87 F HA 0.441 4.971 4.527 0.004 0.000 0.325 87 F C 0.585 176.276 175.800 -0.181 0.000 1.066 87 F CA -1.595 56.249 58.000 -0.260 0.000 0.946 87 F CB 1.893 40.694 39.000 -0.332 0.000 1.199 87 F HN -0.366 nan 8.300 nan 0.000 0.473 88 I N 3.734 124.297 120.570 -0.013 0.000 2.441 88 I HA 0.310 4.483 4.170 0.005 0.000 0.295 88 I C -2.128 174.076 176.117 0.145 0.000 0.994 88 I CA -2.775 58.497 61.300 -0.047 0.000 1.144 88 I CB 1.388 39.211 38.000 -0.295 0.000 1.314 88 I HN 0.245 nan 8.210 nan 0.000 0.445 89 P HA 0.208 nan 4.420 nan 0.000 0.274 89 P C 0.684 178.010 177.300 0.043 0.000 1.256 89 P CA -0.446 62.700 63.100 0.077 0.000 0.795 89 P CB 1.263 33.010 31.700 0.079 0.000 1.038 90 R N 0.665 121.189 120.500 0.038 0.000 2.103 90 R HA -0.228 4.114 4.340 0.005 0.000 0.242 90 R C 1.847 178.161 176.300 0.023 0.000 1.142 90 R CA 2.087 58.207 56.100 0.033 0.000 0.960 90 R CB -0.431 29.900 30.300 0.052 0.000 0.858 90 R HN 0.390 nan 8.270 nan 0.000 0.439 91 E N 0.170 120.391 120.200 0.035 0.000 2.097 91 E HA -0.194 4.159 4.350 0.005 0.000 0.196 91 E C 1.836 178.454 176.600 0.030 0.000 1.000 91 E CA 1.758 58.183 56.400 0.040 0.000 0.804 91 E CB -0.273 29.459 29.700 0.054 0.000 0.740 91 E HN 0.524 nan 8.360 nan 0.000 0.454 92 A N 0.392 123.216 122.820 0.007 0.000 1.873 92 A HA -0.032 4.291 4.320 0.005 0.000 0.215 92 A C 2.492 179.860 177.584 -0.360 0.000 1.186 92 A CA 1.694 53.640 52.037 -0.152 0.000 0.616 92 A CB -1.261 17.701 19.000 -0.064 0.000 0.823 92 A HN 0.357 nan 8.150 nan 0.000 0.442 93 G N -0.462 108.240 108.800 -0.162 0.000 2.442 93 G HA2 -0.235 3.727 3.960 0.005 0.000 0.219 93 G HA3 -0.235 3.727 3.960 0.005 0.000 0.219 93 G C 1.422 176.256 174.900 -0.110 0.000 1.141 93 G CA 1.090 46.094 45.100 -0.159 0.000 0.763 93 G HN 0.664 nan 8.290 nan 0.000 0.554 94 E N 0.252 120.422 120.200 -0.050 0.000 2.152 94 E HA 0.083 4.436 4.350 0.005 0.000 0.192 94 E C 2.778 179.378 176.600 -0.001 0.000 0.983 94 E CA 0.606 57.000 56.400 -0.010 0.000 0.818 94 E CB -0.069 29.639 29.700 0.013 0.000 0.758 94 E HN 0.433 nan 8.360 nan 0.000 0.467 95 A N 0.602 123.426 122.820 0.006 0.000 2.072 95 A HA -0.088 4.235 4.320 0.005 0.000 0.216 95 A C 0.679 178.296 177.584 0.055 0.000 1.156 95 A CA 0.013 52.090 52.037 0.067 0.000 0.701 95 A CB -0.313 18.807 19.000 0.200 0.000 0.816 95 A HN 0.289 nan 8.150 nan 0.000 0.458 96 Y N 2.762 122.917 120.300 -0.243 0.000 2.730 96 Y HA 0.190 4.743 4.550 0.006 0.000 0.354 96 Y C 0.111 175.850 175.900 -0.268 0.000 1.139 96 Y CA -0.400 57.469 58.100 -0.385 0.000 1.516 96 Y CB 0.243 38.268 38.460 -0.726 0.000 1.204 96 Y HN 0.434 nan 8.280 nan 0.000 0.520 97 D N 3.851 124.013 120.400 -0.396 0.000 2.650 97 D HA 0.047 4.690 4.640 0.005 0.000 0.265 97 D C -0.549 175.660 176.300 -0.152 0.000 1.339 97 D CA -0.409 53.499 54.000 -0.154 0.000 0.816 97 D CB -0.917 39.844 40.800 -0.064 0.000 1.091 97 D HN 0.134 nan 8.370 nan 0.000 0.483 98 F N 1.023 120.786 119.950 -0.313 0.000 2.545 98 F HA 0.274 4.803 4.527 0.002 0.000 0.348 98 F C 1.211 176.980 175.800 -0.053 0.000 1.163 98 F CA -0.395 57.485 58.000 -0.200 0.000 1.331 98 F CB 0.471 39.245 39.000 -0.377 0.000 1.138 98 F HN -0.101 nan 8.300 nan 0.000 0.602 99 I N 4.571 125.240 120.570 0.166 0.000 2.441 99 I HA 0.240 4.412 4.170 0.005 0.000 0.295 99 I C -1.653 174.520 176.117 0.093 0.000 0.994 99 I CA -1.748 59.564 61.300 0.020 0.000 1.144 99 I CB 2.578 40.435 38.000 -0.238 0.000 1.314 99 I HN 0.382 nan 8.210 nan 0.000 0.445 100 P HA 0.077 nan 4.420 nan 0.000 0.261 100 P C 0.920 178.390 177.300 0.284 0.000 1.268 100 P CA 0.250 63.441 63.100 0.153 0.000 0.833 100 P CB 0.263 32.070 31.700 0.178 0.000 1.231 101 T N 0.367 115.118 114.554 0.328 0.000 2.849 101 T HA -0.111 4.242 4.350 0.005 0.000 0.270 101 T C 1.787 176.630 174.700 0.239 0.000 1.066 101 T CA 2.072 64.382 62.100 0.350 0.000 1.130 101 T CB -0.614 68.478 68.868 0.374 0.000 0.864 101 T HN 0.319 nan 8.240 nan 0.000 0.481 102 S N -0.079 115.812 115.700 0.318 0.000 2.631 102 S HA 0.326 4.798 4.470 0.005 0.000 0.217 102 S C 0.449 175.132 174.600 0.138 0.000 0.958 102 S CA -0.389 57.944 58.200 0.220 0.000 0.920 102 S CB -0.474 62.888 63.200 0.271 0.000 0.776 102 S HN 0.360 nan 8.310 nan 0.000 0.517 103 M N 1.842 121.551 119.600 0.183 0.000 2.578 103 M HA 0.519 5.001 4.480 0.005 0.000 0.321 103 M C -1.074 175.361 176.300 0.225 0.000 1.182 103 M CA -0.638 54.757 55.300 0.158 0.000 0.965 103 M CB 1.583 34.257 32.600 0.123 0.000 1.694 103 M HN 0.014 nan 8.290 nan 0.000 0.461 104 D N 1.643 122.125 120.400 0.137 0.000 2.269 104 D HA 0.490 5.133 4.640 0.005 0.000 0.244 104 D C -2.525 173.719 176.300 -0.093 0.000 0.992 104 D CA -1.274 52.776 54.000 0.083 0.000 0.894 104 D CB 1.485 42.347 40.800 0.104 0.000 1.248 104 D HN 0.143 nan 8.370 nan 0.000 0.468 105 P HA 0.065 nan 4.420 nan 0.000 0.269 105 P C -1.677 175.491 177.300 -0.219 0.000 1.215 105 P CA -0.766 62.094 63.100 -0.401 0.000 0.780 105 P CB 0.359 31.595 31.700 -0.773 0.000 0.898 106 P HA -0.071 nan 4.420 nan 0.000 0.224 106 P C 0.795 178.081 177.300 -0.024 0.000 1.157 106 P CA 1.255 64.322 63.100 -0.055 0.000 0.799 106 P CB 0.213 31.910 31.700 -0.005 0.000 0.809 107 E N 0.687 120.898 120.200 0.018 0.000 2.171 107 E HA -0.220 4.133 4.350 0.005 0.000 0.197 107 E C 2.323 179.012 176.600 0.148 0.000 0.997 107 E CA 1.148 57.598 56.400 0.084 0.000 0.810 107 E CB -0.824 28.940 29.700 0.107 0.000 0.738 107 E HN 0.395 nan 8.360 nan 0.000 0.467 108 Q N 0.841 120.692 119.800 0.084 0.000 2.124 108 Q HA -0.202 4.140 4.340 0.005 0.000 0.202 108 Q C 1.880 177.934 176.000 0.090 0.000 0.977 108 Q CA 1.014 56.883 55.803 0.110 0.000 0.850 108 Q CB 0.073 28.796 28.738 -0.024 0.000 0.901 108 Q HN 0.215 nan 8.270 nan 0.000 0.429 109 R N 0.707 121.203 120.500 -0.007 0.000 2.115 109 R HA -0.253 4.090 4.340 0.005 0.000 0.239 109 R C 2.521 178.797 176.300 -0.040 0.000 1.133 109 R CA 2.348 58.425 56.100 -0.039 0.000 0.935 109 R CB -0.931 29.331 30.300 -0.062 0.000 0.853 109 R HN 0.629 nan 8.270 nan 0.000 0.433 110 Q N -0.156 119.588 119.800 -0.093 0.000 2.152 110 Q HA -0.176 4.167 4.340 0.005 0.000 0.206 110 Q C 1.910 177.751 176.000 -0.266 0.000 0.985 110 Q CA 1.819 57.489 55.803 -0.223 0.000 0.863 110 Q CB -0.463 28.052 28.738 -0.371 0.000 0.904 110 Q HN 0.336 nan 8.270 nan 0.000 0.422 111 F N 0.905 120.849 119.950 -0.010 0.000 2.187 111 F HA 0.070 4.600 4.527 0.006 0.000 0.295 111 F C 2.797 178.597 175.800 0.000 0.000 1.091 111 F CA 1.004 59.006 58.000 0.003 0.000 1.308 111 F CB -0.142 38.870 39.000 0.021 0.000 1.030 111 F HN -0.009 nan 8.300 nan 0.000 0.487 112 R N 0.905 121.500 120.500 0.158 0.000 2.105 112 R HA -0.176 4.166 4.340 0.005 0.000 0.239 112 R C 2.268 178.590 176.300 0.036 0.000 1.135 112 R CA 1.338 57.483 56.100 0.074 0.000 0.967 112 R CB -0.464 29.836 30.300 0.000 0.000 0.861 112 R HN 0.265 nan 8.270 nan 0.000 0.442 113 A N 1.138 123.962 122.820 0.006 0.000 1.902 113 A HA -0.175 4.147 4.320 0.005 0.000 0.217 113 A C 2.029 179.613 177.584 0.000 0.000 1.181 113 A CA 1.335 53.365 52.037 -0.012 0.000 0.623 113 A CB -0.621 18.356 19.000 -0.039 0.000 0.818 113 A HN 0.397 nan 8.150 nan 0.000 0.443 114 L N -0.220 121.007 121.223 0.007 0.000 2.046 114 L HA -0.040 4.303 4.340 0.005 0.000 0.208 114 L C 2.657 179.553 176.870 0.043 0.000 1.077 114 L CA 2.239 57.090 54.840 0.019 0.000 0.747 114 L CB -0.929 41.146 42.059 0.027 0.000 0.896 114 L HN 0.340 nan 8.230 nan 0.000 0.432 115 A N -0.407 122.454 122.820 0.069 0.000 1.902 115 A HA -0.277 4.046 4.320 0.005 0.000 0.217 115 A C 2.194 179.808 177.584 0.050 0.000 1.181 115 A CA 1.827 53.906 52.037 0.070 0.000 0.623 115 A CB -1.032 18.020 19.000 0.086 0.000 0.818 115 A HN 0.617 nan 8.150 nan 0.000 0.443 116 N N -0.183 118.540 118.700 0.038 0.000 2.223 116 N HA -0.178 4.565 4.740 0.005 0.000 0.185 116 N C 1.779 177.303 175.510 0.023 0.000 1.016 116 N CA 1.768 54.837 53.050 0.031 0.000 0.863 116 N CB -0.358 38.140 38.487 0.019 0.000 0.983 116 N HN 0.643 nan 8.380 nan 0.000 0.429 117 Q N -0.756 119.053 119.800 0.015 0.000 2.224 117 Q HA -0.060 4.283 4.340 0.005 0.000 0.203 117 Q C 1.772 177.776 176.000 0.007 0.000 0.970 117 Q CA 1.429 57.235 55.803 0.005 0.000 0.865 117 Q CB 0.185 28.922 28.738 -0.001 0.000 0.922 117 Q HN 0.500 nan 8.270 nan 0.000 0.445 118 V N -3.235 116.690 119.914 0.017 0.000 3.471 118 V HA 0.064 4.186 4.120 0.005 0.000 0.258 118 V C 1.519 177.625 176.094 0.020 0.000 1.192 118 V CA 0.617 62.924 62.300 0.012 0.000 1.116 118 V CB 0.447 32.279 31.823 0.015 0.000 0.792 118 V HN 0.230 nan 8.190 nan 0.000 0.459 119 V N -2.212 117.726 119.914 0.039 0.000 3.432 119 V HA 0.686 4.809 4.120 0.005 0.000 0.298 119 V C 1.138 177.266 176.094 0.056 0.000 1.464 119 V CA 0.249 62.581 62.300 0.054 0.000 1.046 119 V CB -0.583 31.290 31.823 0.083 0.000 0.887 119 V HN 0.432 nan 8.190 nan 0.000 0.441 120 G N -0.128 108.701 108.800 0.047 0.000 2.683 120 G HA2 0.265 4.227 3.960 0.005 0.000 0.260 120 G HA3 0.265 4.227 3.960 0.005 0.000 0.260 120 G C 0.539 175.456 174.900 0.028 0.000 1.238 120 G CA 0.250 45.385 45.100 0.058 0.000 0.934 120 G HN 0.186 nan 8.290 nan 0.000 0.534 121 M N 0.609 120.185 119.600 -0.039 0.000 2.106 121 M HA -0.027 4.456 4.480 0.005 0.000 0.259 121 M C -0.218 176.050 176.300 -0.054 0.000 1.068 121 M CA 1.795 57.036 55.300 -0.099 0.000 1.100 121 M CB -0.974 31.472 32.600 -0.256 0.000 1.351 121 M HN 0.325 nan 8.290 nan 0.000 0.404 122 P HA -0.126 nan 4.420 nan 0.000 0.216 122 P C 1.632 178.921 177.300 -0.019 0.000 1.150 122 P CA 1.273 64.354 63.100 -0.032 0.000 0.837 122 P CB -0.102 31.579 31.700 -0.031 0.000 0.786 123 V N -0.883 119.024 119.914 -0.012 0.000 2.548 123 V HA -0.149 3.974 4.120 0.005 0.000 0.249 123 V C 2.375 178.468 176.094 -0.002 0.000 1.055 123 V CA 1.402 63.697 62.300 -0.008 0.000 1.065 123 V CB -1.019 30.801 31.823 -0.005 0.000 0.681 123 V HN -0.024 nan 8.190 nan 0.000 0.462 124 V N 0.163 120.081 119.914 0.006 0.000 2.307 124 V HA -0.237 3.886 4.120 0.005 0.000 0.245 124 V C 2.304 178.406 176.094 0.014 0.000 1.045 124 V CA 2.092 64.403 62.300 0.018 0.000 1.024 124 V CB -0.699 31.144 31.823 0.033 0.000 0.651 124 V HN 0.517 nan 8.190 nan 0.000 0.449 125 D N 0.109 120.510 120.400 0.002 0.000 2.123 125 D HA -0.201 4.442 4.640 0.005 0.000 0.196 125 D C 2.142 178.446 176.300 0.006 0.000 0.992 125 D CA 1.544 55.546 54.000 0.004 0.000 0.833 125 D CB -0.268 40.527 40.800 -0.007 0.000 0.954 125 D HN 0.469 nan 8.370 nan 0.000 0.455 126 K N 0.857 121.257 120.400 -0.000 0.000 2.009 126 K HA -0.128 4.195 4.320 0.005 0.000 0.210 126 K C 2.071 178.673 176.600 0.002 0.000 1.049 126 K CA 0.924 57.210 56.287 -0.002 0.000 0.929 126 K CB -0.265 32.229 32.500 -0.010 0.000 0.714 126 K HN 0.153 nan 8.250 nan 0.000 0.440 127 L N 1.147 122.371 121.223 0.003 0.000 2.551 127 L HA -0.050 4.293 4.340 0.005 0.000 0.228 127 L C 2.336 179.222 176.870 0.026 0.000 1.153 127 L CA 0.404 55.247 54.840 0.005 0.000 0.851 127 L CB -0.451 41.605 42.059 -0.006 0.000 0.959 127 L HN 0.412 nan 8.230 nan 0.000 0.451 128 E N 1.244 121.463 120.200 0.032 0.000 2.103 128 E HA -0.334 4.019 4.350 0.005 0.000 0.229 128 E C 1.700 178.336 176.600 0.061 0.000 1.061 128 E CA 2.330 58.759 56.400 0.049 0.000 0.916 128 E CB 0.032 29.754 29.700 0.038 0.000 0.806 128 E HN 0.510 nan 8.360 nan 0.000 0.489 129 N N 0.207 118.935 118.700 0.047 0.000 2.166 129 N HA -0.145 4.598 4.740 0.005 0.000 0.186 129 N C 1.897 177.443 175.510 0.061 0.000 1.019 129 N CA 1.154 54.235 53.050 0.051 0.000 0.856 129 N CB -0.407 38.102 38.487 0.035 0.000 0.993 129 N HN 0.223 nan 8.380 nan 0.000 0.426 130 R N 0.499 121.029 120.500 0.051 0.000 2.081 130 R HA 0.060 4.403 4.340 0.005 0.000 0.235 130 R C 2.276 178.631 176.300 0.092 0.000 1.131 130 R CA 0.857 56.988 56.100 0.052 0.000 0.960 130 R CB -0.276 30.037 30.300 0.022 0.000 0.856 130 R HN 0.239 nan 8.270 nan 0.000 0.436 131 I N 0.441 121.073 120.570 0.104 0.000 2.179 131 I HA -0.287 3.886 4.170 0.005 0.000 0.242 131 I C 2.635 178.937 176.117 0.308 0.000 1.088 131 I CA 1.116 62.534 61.300 0.196 0.000 1.357 131 I CB -0.272 37.825 38.000 0.160 0.000 1.051 131 I HN 0.153 nan 8.210 nan 0.000 0.409 132 Q N 1.464 121.381 119.800 0.195 0.000 2.030 132 Q HA -0.288 4.055 4.340 0.005 0.000 0.204 132 Q C 2.022 178.105 176.000 0.138 0.000 0.986 132 Q CA 2.085 57.982 55.803 0.156 0.000 0.843 132 Q CB -0.332 28.468 28.738 0.103 0.000 0.904 132 Q HN 0.440 nan 8.270 nan 0.000 0.420 133 E N -0.802 119.468 120.200 0.116 0.000 2.110 133 E HA -0.164 4.188 4.350 0.005 0.000 0.193 133 E C 1.862 178.532 176.600 0.117 0.000 0.988 133 E CA 0.961 57.417 56.400 0.094 0.000 0.804 133 E CB -0.192 29.551 29.700 0.072 0.000 0.745 133 E HN 0.419 nan 8.360 nan 0.000 0.458 134 L N 0.150 121.477 121.223 0.172 0.000 2.072 134 L HA -0.074 4.268 4.340 0.005 0.000 0.205 134 L C 2.336 179.340 176.870 0.223 0.000 1.079 134 L CA 1.430 56.393 54.840 0.205 0.000 0.752 134 L CB -0.728 41.481 42.059 0.249 0.000 0.906 134 L HN 0.167 nan 8.230 nan 0.000 0.436 135 A N -0.457 122.500 122.820 0.228 0.000 1.865 135 A HA -0.260 4.063 4.320 0.005 0.000 0.217 135 A C 2.435 180.075 177.584 0.095 0.000 1.191 135 A CA 1.919 53.961 52.037 0.007 0.000 0.623 135 A CB -1.272 17.648 19.000 -0.134 0.000 0.826 135 A HN 0.600 nan 8.150 nan 0.000 0.444 136 C N -1.279 118.064 119.300 0.071 0.000 2.413 136 C HA -0.077 4.385 4.460 0.005 0.000 0.276 136 C C 3.288 178.301 174.990 0.037 0.000 1.236 136 C CA 1.403 60.442 59.018 0.035 0.000 1.735 136 C CB -1.261 26.498 27.740 0.032 0.000 2.031 136 C HN 0.678 nan 8.230 nan 0.000 0.474 137 S N 0.186 115.925 115.700 0.064 0.000 2.359 137 S HA -0.127 4.346 4.470 0.005 0.000 0.224 137 S C 1.755 176.397 174.600 0.071 0.000 1.035 137 S CA 1.283 59.519 58.200 0.059 0.000 1.018 137 S CB -0.267 62.974 63.200 0.068 0.000 0.876 137 S HN 0.393 nan 8.310 nan 0.000 0.448 138 L N 1.622 122.915 121.223 0.116 0.000 2.027 138 L HA 0.091 4.434 4.340 0.005 0.000 0.206 138 L C 2.178 179.128 176.870 0.133 0.000 1.074 138 L CA 1.576 56.511 54.840 0.158 0.000 0.745 138 L CB -1.053 41.158 42.059 0.255 0.000 0.898 138 L HN 0.402 nan 8.230 nan 0.000 0.433 139 I N -0.862 119.758 120.570 0.084 0.000 2.252 139 I HA -0.258 3.915 4.170 0.005 0.000 0.245 139 I C 2.437 178.455 176.117 -0.164 0.000 1.102 139 I CA 1.058 62.276 61.300 -0.137 0.000 1.385 139 I CB -0.245 37.602 38.000 -0.256 0.000 1.064 139 I HN 0.262 nan 8.210 nan 0.000 0.414 140 E N 1.266 121.418 120.200 -0.081 0.000 2.077 140 E HA -0.182 4.170 4.350 0.005 0.000 0.193 140 E C 2.133 178.719 176.600 -0.023 0.000 0.989 140 E CA 1.800 58.162 56.400 -0.064 0.000 0.800 140 E CB -0.159 29.523 29.700 -0.030 0.000 0.746 140 E HN 0.251 nan 8.360 nan 0.000 0.452 141 S N -0.360 115.345 115.700 0.009 0.000 2.423 141 S HA 0.000 4.473 4.470 0.005 0.000 0.231 141 S C 1.736 176.368 174.600 0.053 0.000 1.014 141 S CA 0.871 59.091 58.200 0.032 0.000 0.965 141 S CB -0.135 63.093 63.200 0.046 0.000 0.785 141 S HN 0.268 nan 8.310 nan 0.000 0.495 142 L N 0.544 121.808 121.223 0.067 0.000 2.202 142 L HA 0.110 4.452 4.340 0.005 0.000 0.205 142 L C 2.547 179.561 176.870 0.241 0.000 1.083 142 L CA 0.467 55.401 54.840 0.156 0.000 0.790 142 L CB -0.430 41.767 42.059 0.229 0.000 0.942 142 L HN 0.201 nan 8.230 nan 0.000 0.452 143 R N 1.114 121.686 120.500 0.120 0.000 2.162 143 R HA -0.224 4.119 4.340 0.005 0.000 0.245 143 R C -0.605 175.863 176.300 0.280 0.000 1.129 143 R CA 2.647 58.849 56.100 0.169 0.000 0.940 143 R CB -1.456 28.814 30.300 -0.050 0.000 0.875 143 R HN 0.230 nan 8.270 nan 0.000 0.437 144 P HA -0.114 nan 4.420 nan 0.000 0.230 144 P C 0.258 177.568 177.300 0.017 0.000 1.158 144 P CA 1.332 64.474 63.100 0.069 0.000 0.769 144 P CB -0.051 31.669 31.700 0.033 0.000 0.807 145 Q N -0.814 118.987 119.800 0.002 0.000 2.424 145 Q HA 0.158 4.501 4.340 0.005 0.000 0.204 145 Q C 1.443 177.242 176.000 -0.335 0.000 0.933 145 Q CA 0.533 56.267 55.803 -0.114 0.000 0.929 145 Q CB -0.331 28.361 28.738 -0.076 0.000 1.037 145 Q HN 0.232 nan 8.270 nan 0.000 0.511 146 G N 2.395 110.858 108.800 -0.563 0.000 2.258 146 G HA2 -0.328 3.634 3.960 0.005 0.000 0.274 146 G HA3 -0.328 3.634 3.960 0.005 0.000 0.274 146 G C -0.063 173.879 174.900 -1.597 0.000 1.021 146 G CA 1.122 45.448 45.100 -1.289 0.000 0.798 146 G HN 0.481 nan 8.290 nan 0.000 0.507 147 Q N -2.217 116.632 119.800 -1.585 0.000 2.959 147 Q HA 0.523 4.866 4.340 0.005 0.000 0.288 147 Q C -0.546 175.257 176.000 -0.328 0.000 0.911 147 Q CA -0.649 54.597 55.803 -0.928 0.000 0.800 147 Q CB 1.075 29.563 28.738 -0.418 0.000 1.645 147 Q HN 1.623 nan 8.270 nan 0.000 0.454 148 C N -0.021 119.290 119.300 0.020 0.000 3.253 148 C HA 0.609 5.071 4.460 0.005 0.000 0.342 148 C C -1.611 173.506 174.990 0.211 0.000 1.306 148 C CA -0.798 58.339 59.018 0.199 0.000 1.207 148 C CB 1.384 29.390 27.740 0.443 0.000 1.479 148 C HN 0.880 nan 8.230 nan 0.000 0.469 149 N N 1.343 120.145 118.700 0.170 0.000 2.949 149 N HA 0.223 4.966 4.740 0.005 0.000 0.243 149 N C 0.432 176.046 175.510 0.174 0.000 1.113 149 N CA -0.279 52.858 53.050 0.146 0.000 0.980 149 N CB 0.614 39.151 38.487 0.084 0.000 1.256 149 N HN 0.755 nan 8.380 nan 0.000 0.508 150 F N 2.549 122.557 119.950 0.096 0.000 2.111 150 F HA -0.347 4.183 4.527 0.005 0.000 0.300 150 F C 2.542 178.378 175.800 0.061 0.000 1.088 150 F CA 2.162 60.203 58.000 0.070 0.000 1.243 150 F CB -0.224 38.746 39.000 -0.050 0.000 0.996 150 F HN 0.372 nan 8.300 nan 0.000 0.483 151 T N -2.530 112.051 114.554 0.045 0.000 2.708 151 T HA -0.207 4.145 4.350 0.005 0.000 0.266 151 T C 1.740 176.383 174.700 -0.095 0.000 1.037 151 T CA 1.672 63.742 62.100 -0.049 0.000 1.146 151 T CB -0.681 68.193 68.868 0.010 0.000 0.865 151 T HN 0.501 nan 8.240 nan 0.000 0.435 152 E N 1.101 121.279 120.200 -0.036 0.000 2.112 152 E HA -0.057 4.295 4.350 0.005 0.000 0.190 152 E C 1.780 178.360 176.600 -0.033 0.000 0.979 152 E CA 1.077 57.461 56.400 -0.026 0.000 0.814 152 E CB -0.017 29.688 29.700 0.009 0.000 0.762 152 E HN 0.561 nan 8.360 nan 0.000 0.460 153 D N -1.100 119.288 120.400 -0.020 0.000 2.348 153 D HA -0.035 4.608 4.640 0.005 0.000 0.211 153 D C 0.748 177.065 176.300 0.028 0.000 0.998 153 D CA 0.764 54.781 54.000 0.029 0.000 0.873 153 D CB 0.378 41.249 40.800 0.119 0.000 0.925 153 D HN 0.205 nan 8.370 nan 0.000 0.524 154 Y N -0.159 119.940 120.300 -0.334 0.000 3.189 154 Y HA 0.302 4.856 4.550 0.005 0.000 0.213 154 Y C 1.996 177.648 175.900 -0.413 0.000 1.032 154 Y CA 0.558 58.426 58.100 -0.387 0.000 1.482 154 Y CB -0.233 37.861 38.460 -0.609 0.000 1.460 154 Y HN -0.149 nan 8.280 nan 0.000 0.398 155 A N 0.980 123.425 122.820 -0.624 0.000 1.927 155 A HA -0.253 4.069 4.320 0.005 0.000 0.220 155 A C 1.829 179.323 177.584 -0.151 0.000 1.185 155 A CA 2.585 54.449 52.037 -0.289 0.000 0.639 155 A CB -0.661 18.216 19.000 -0.206 0.000 0.820 155 A HN 0.693 nan 8.150 nan 0.000 0.451 156 E N -1.024 119.081 120.200 -0.158 0.000 2.030 156 E HA -0.074 4.279 4.350 0.005 0.000 0.189 156 E C -0.467 176.075 176.600 -0.096 0.000 0.974 156 E CA 0.768 57.110 56.400 -0.097 0.000 0.807 156 E CB -0.546 29.113 29.700 -0.069 0.000 0.771 156 E HN 0.525 nan 8.360 nan 0.000 0.451 157 P HA -0.205 nan 4.420 nan 0.000 0.215 157 P C 1.417 178.666 177.300 -0.085 0.000 1.153 157 P CA 1.185 64.240 63.100 -0.076 0.000 0.853 157 P CB -0.079 31.590 31.700 -0.052 0.000 0.788 158 F N 3.620 123.340 119.950 -0.383 0.000 2.010 158 F HA -0.103 4.427 4.527 0.005 0.000 0.296 158 F C -0.656 175.031 175.800 -0.187 0.000 1.146 158 F CA 1.986 59.739 58.000 -0.411 0.000 1.181 158 F CB -2.158 36.296 39.000 -0.910 0.000 0.965 158 F HN -0.026 nan 8.300 nan 0.000 0.480 159 P HA -0.143 nan 4.420 nan 0.000 0.217 159 P C 2.247 179.446 177.300 -0.168 0.000 1.151 159 P CA 1.971 64.850 63.100 -0.369 0.000 0.828 159 P CB -0.190 31.412 31.700 -0.162 0.000 0.788 160 I N 0.026 120.537 120.570 -0.099 0.000 2.179 160 I HA -0.201 3.971 4.170 0.005 0.000 0.242 160 I C 2.888 179.017 176.117 0.020 0.000 1.088 160 I CA 1.458 62.749 61.300 -0.014 0.000 1.357 160 I CB -0.554 37.432 38.000 -0.023 0.000 1.051 160 I HN -0.132 nan 8.210 nan 0.000 0.409 161 R N 0.435 120.914 120.500 -0.035 0.000 2.096 161 R HA -0.125 4.218 4.340 0.005 0.000 0.235 161 R C 2.245 178.519 176.300 -0.043 0.000 1.127 161 R CA 1.116 57.202 56.100 -0.023 0.000 0.968 161 R CB -0.191 30.096 30.300 -0.023 0.000 0.861 161 R HN 0.287 nan 8.270 nan 0.000 0.440 162 I N 0.066 120.574 120.570 -0.103 0.000 2.252 162 I HA -0.246 3.927 4.170 0.005 0.000 0.245 162 I C 2.150 178.236 176.117 -0.052 0.000 1.102 162 I CA 1.264 62.494 61.300 -0.116 0.000 1.385 162 I CB -0.848 37.005 38.000 -0.245 0.000 1.064 162 I HN 0.069 nan 8.210 nan 0.000 0.414 163 F N 1.436 121.315 119.950 -0.118 0.000 2.146 163 F HA -0.181 4.348 4.527 0.003 0.000 0.298 163 F C 2.544 178.317 175.800 -0.046 0.000 1.096 163 F CA 1.411 59.365 58.000 -0.076 0.000 1.275 163 F CB -0.133 38.824 39.000 -0.072 0.000 1.008 163 F HN -0.104 nan 8.300 nan 0.000 0.480 164 M N -0.288 119.309 119.600 -0.004 0.000 2.159 164 M HA -0.150 4.332 4.480 0.005 0.000 0.263 164 M C 2.277 178.493 176.300 -0.141 0.000 1.063 164 M CA 1.234 56.498 55.300 -0.060 0.000 1.110 164 M CB -1.471 31.155 32.600 0.044 0.000 1.374 164 M HN 0.367 nan 8.290 nan 0.000 0.411 165 L N 0.727 121.880 121.223 -0.117 0.000 2.017 165 L HA -0.145 4.197 4.340 0.005 0.000 0.208 165 L C 2.284 179.061 176.870 -0.156 0.000 1.073 165 L CA 1.481 56.258 54.840 -0.104 0.000 0.745 165 L CB -0.983 41.033 42.059 -0.073 0.000 0.894 165 L HN 0.233 nan 8.230 nan 0.000 0.432 166 L N 0.097 121.183 121.223 -0.228 0.000 2.079 166 L HA -0.084 4.258 4.340 0.005 0.000 0.210 166 L C 2.264 178.945 176.870 -0.316 0.000 1.081 166 L CA 2.120 56.804 54.840 -0.258 0.000 0.752 166 L CB -0.861 41.014 42.059 -0.306 0.000 0.896 166 L HN 0.286 nan 8.230 nan 0.000 0.433 167 A N -1.003 121.533 122.820 -0.474 0.000 2.218 167 A HA 0.362 4.685 4.320 0.005 0.000 0.209 167 A C 1.652 179.133 177.584 -0.171 0.000 1.168 167 A CA 0.529 52.340 52.037 -0.376 0.000 0.804 167 A CB -0.917 17.762 19.000 -0.536 0.000 0.834 167 A HN 0.870 nan 8.150 nan 0.000 0.482 168 G N -0.603 108.113 108.800 -0.140 0.000 2.273 168 G HA2 -0.217 3.746 3.960 0.005 0.000 0.280 168 G HA3 -0.217 3.746 3.960 0.005 0.000 0.280 168 G C -0.118 174.765 174.900 -0.029 0.000 1.047 168 G CA 0.600 45.657 45.100 -0.071 0.000 0.869 168 G HN 0.483 nan 8.290 nan 0.000 0.502 169 L N -0.327 120.889 121.223 -0.011 0.000 2.325 169 L HA 0.509 4.851 4.340 0.005 0.000 0.278 169 L C -1.961 174.947 176.870 0.062 0.000 1.023 169 L CA -2.570 52.308 54.840 0.062 0.000 0.811 169 L CB 1.841 43.986 42.059 0.143 0.000 1.249 169 L HN -0.137 nan 8.230 nan 0.000 0.431 170 P HA 0.043 nan 4.420 nan 0.000 0.267 170 P C 0.049 177.392 177.300 0.072 0.000 1.209 170 P CA -0.051 63.089 63.100 0.066 0.000 0.763 170 P CB 0.520 32.264 31.700 0.074 0.000 0.816 171 E N 2.693 122.922 120.200 0.048 0.000 2.204 171 E HA -0.229 4.124 4.350 0.005 0.000 0.195 171 E C 1.342 177.970 176.600 0.046 0.000 0.990 171 E CA 1.004 57.430 56.400 0.043 0.000 0.821 171 E CB -0.030 29.687 29.700 0.028 0.000 0.750 171 E HN 0.692 nan 8.360 nan 0.000 0.477 172 E N 1.111 121.341 120.200 0.049 0.000 2.401 172 E HA -0.184 4.169 4.350 0.005 0.000 0.199 172 E C 0.750 177.389 176.600 0.064 0.000 1.023 172 E CA 0.929 57.357 56.400 0.048 0.000 0.859 172 E CB 0.011 29.737 29.700 0.042 0.000 0.780 172 E HN 0.120 nan 8.360 nan 0.000 0.523 173 D N 0.693 121.144 120.400 0.085 0.000 2.349 173 D HA 0.102 4.745 4.640 0.005 0.000 0.215 173 D C 1.742 178.070 176.300 0.046 0.000 1.016 173 D CA 0.149 54.211 54.000 0.102 0.000 0.870 173 D CB 0.069 40.979 40.800 0.182 0.000 0.917 173 D HN 0.294 nan 8.370 nan 0.000 0.524 174 I N 1.417 122.011 120.570 0.040 0.000 2.163 174 I HA -0.203 3.969 4.170 0.005 0.000 0.243 174 I C -0.593 175.537 176.117 0.021 0.000 1.085 174 I CA 1.193 62.504 61.300 0.018 0.000 1.347 174 I CB -1.255 36.757 38.000 0.020 0.000 1.044 174 I HN -0.007 nan 8.210 nan 0.000 0.408 175 P HA -0.232 nan 4.420 nan 0.000 0.215 175 P C 1.495 178.854 177.300 0.098 0.000 1.157 175 P CA 1.712 64.847 63.100 0.059 0.000 0.874 175 P CB -0.067 31.663 31.700 0.051 0.000 0.790 176 H N -0.547 118.524 119.070 0.001 0.000 2.293 176 H HA -0.053 4.508 4.556 0.008 0.000 0.300 176 H C 1.839 177.172 175.328 0.008 0.000 1.082 176 H CA 1.540 57.597 56.048 0.014 0.000 1.308 176 H CB -1.085 28.665 29.762 -0.021 0.000 1.375 176 H HN -0.064 nan 8.280 nan 0.000 0.495 177 L N -0.054 121.064 121.223 -0.174 0.000 2.042 177 L HA -0.177 4.165 4.340 0.005 0.000 0.210 177 L C 2.557 179.317 176.870 -0.184 0.000 1.076 177 L CA 1.744 56.415 54.840 -0.282 0.000 0.749 177 L CB -0.482 41.421 42.059 -0.259 0.000 0.893 177 L HN 0.221 nan 8.230 nan 0.000 0.432 178 K N -0.019 120.327 120.400 -0.090 0.000 2.097 178 K HA -0.256 4.067 4.320 0.005 0.000 0.206 178 K C 2.111 178.679 176.600 -0.053 0.000 1.049 178 K CA 1.583 57.832 56.287 -0.063 0.000 0.933 178 K CB -0.632 31.856 32.500 -0.020 0.000 0.717 178 K HN 0.291 nan 8.250 nan 0.000 0.442 179 Y N 0.629 120.859 120.300 -0.117 0.000 2.181 179 Y HA -0.114 4.438 4.550 0.004 0.000 0.288 179 Y C 1.558 177.379 175.900 -0.133 0.000 1.146 179 Y CA 1.692 59.732 58.100 -0.100 0.000 1.164 179 Y CB -0.197 38.214 38.460 -0.083 0.000 0.982 179 Y HN 0.021 nan 8.280 nan 0.000 0.515 180 L N -0.156 120.837 121.223 -0.385 0.000 1.994 180 L HA -0.225 4.118 4.340 0.005 0.000 0.208 180 L C 2.737 179.398 176.870 -0.348 0.000 1.071 180 L CA 2.108 56.674 54.840 -0.458 0.000 0.745 180 L CB -1.319 40.526 42.059 -0.358 0.000 0.892 180 L HN 0.402 nan 8.230 nan 0.000 0.431 181 T N -3.376 111.035 114.554 -0.237 0.000 2.720 181 T HA -0.234 4.119 4.350 0.005 0.000 0.268 181 T C 1.496 176.131 174.700 -0.107 0.000 1.037 181 T CA 1.663 63.678 62.100 -0.143 0.000 1.144 181 T CB -0.505 68.288 68.868 -0.126 0.000 0.864 181 T HN 0.195 nan 8.240 nan 0.000 0.444 182 D N 1.152 121.461 120.400 -0.151 0.000 2.182 182 D HA -0.072 4.571 4.640 0.005 0.000 0.201 182 D C 2.422 178.648 176.300 -0.123 0.000 0.986 182 D CA 0.888 54.823 54.000 -0.107 0.000 0.847 182 D CB -0.306 40.432 40.800 -0.103 0.000 0.942 182 D HN 0.387 nan 8.370 nan 0.000 0.467 183 Q N -0.627 119.014 119.800 -0.266 0.000 2.369 183 Q HA 0.064 4.406 4.340 0.005 0.000 0.206 183 Q C 1.979 177.946 176.000 -0.054 0.000 0.963 183 Q CA 0.510 56.177 55.803 -0.227 0.000 0.894 183 Q CB -0.125 28.370 28.738 -0.406 0.000 0.965 183 Q HN 0.450 nan 8.270 nan 0.000 0.475 184 M N -0.552 119.061 119.600 0.022 0.000 2.501 184 M HA -0.023 4.460 4.480 0.005 0.000 0.261 184 M C 1.656 178.213 176.300 0.429 0.000 1.129 184 M CA 1.331 56.815 55.300 0.307 0.000 1.126 184 M CB 0.238 33.014 32.600 0.294 0.000 1.359 184 M HN 0.206 nan 8.290 nan 0.000 0.471 185 T N -2.298 112.395 114.554 0.231 0.000 3.038 185 T HA 0.197 4.550 4.350 0.005 0.000 0.244 185 T C 1.065 175.890 174.700 0.208 0.000 1.016 185 T CA -0.139 62.077 62.100 0.193 0.000 1.098 185 T CB 0.195 69.140 68.868 0.129 0.000 0.954 185 T HN 0.231 nan 8.240 nan 0.000 0.469 186 R N 2.356 122.939 120.500 0.137 0.000 2.653 186 R HA 0.331 4.673 4.340 0.005 0.000 0.269 186 R C -2.950 173.365 176.300 0.026 0.000 1.603 186 R CA -1.703 54.478 56.100 0.135 0.000 1.671 186 R CB 1.240 31.611 30.300 0.119 0.000 1.300 186 R HN 0.372 nan 8.270 nan 0.000 0.668 187 P HA -0.069 nan 4.420 nan 0.000 0.264 187 P C -0.313 176.949 177.300 -0.063 0.000 1.183 187 P CA 0.378 63.426 63.100 -0.087 0.000 0.763 187 P CB 0.861 32.482 31.700 -0.132 0.000 0.807 188 D N 1.281 121.664 120.400 -0.029 0.000 2.349 188 D HA 0.108 4.751 4.640 0.005 0.000 0.214 188 D C 1.387 177.689 176.300 0.003 0.000 1.063 188 D CA 0.457 54.460 54.000 0.005 0.000 0.847 188 D CB -0.236 40.592 40.800 0.046 0.000 0.933 188 D HN 0.606 nan 8.370 nan 0.000 0.513 189 G N 0.288 109.080 108.800 -0.012 0.000 2.232 189 G HA2 -0.343 3.620 3.960 0.005 0.000 0.226 189 G HA3 -0.343 3.620 3.960 0.005 0.000 0.226 189 G C 1.267 176.178 174.900 0.019 0.000 0.996 189 G CA 0.641 45.737 45.100 -0.006 0.000 0.626 189 G HN 0.628 nan 8.290 nan 0.000 0.509 190 S N -0.890 114.841 115.700 0.052 0.000 2.453 190 S HA 0.478 4.950 4.470 0.005 0.000 0.231 190 S C 0.897 175.546 174.600 0.081 0.000 1.005 190 S CA 1.523 59.773 58.200 0.083 0.000 0.949 190 S CB 0.256 63.548 63.200 0.153 0.000 0.774 190 S HN 0.972 nan 8.310 nan 0.000 0.510 191 M N 1.995 121.625 119.600 0.049 0.000 2.421 191 M HA 0.346 4.828 4.480 0.005 0.000 0.287 191 M C -0.834 175.458 176.300 -0.013 0.000 1.183 191 M CA -0.414 54.899 55.300 0.022 0.000 0.916 191 M CB 2.210 34.825 32.600 0.025 0.000 1.701 191 M HN 0.275 nan 8.290 nan 0.000 0.470 192 T N 0.282 114.835 114.554 -0.003 0.000 2.788 192 T HA 0.244 4.597 4.350 0.005 0.000 0.287 192 T C 0.704 175.418 174.700 0.024 0.000 1.007 192 T CA -0.452 61.663 62.100 0.024 0.000 1.005 192 T CB 0.596 69.488 68.868 0.041 0.000 1.012 192 T HN 0.628 nan 8.240 nan 0.000 0.530 193 F N 1.503 121.438 119.950 -0.025 0.000 2.095 193 F HA 0.012 4.545 4.527 0.010 0.000 0.298 193 F C 2.550 178.304 175.800 -0.076 0.000 1.104 193 F CA 1.829 59.820 58.000 -0.014 0.000 1.232 193 F CB -1.015 38.023 39.000 0.063 0.000 0.987 193 F HN 0.723 nan 8.300 nan 0.000 0.475 194 A N 0.066 122.936 122.820 0.083 0.000 1.908 194 A HA -0.233 4.089 4.320 0.005 0.000 0.218 194 A C 2.122 179.596 177.584 -0.184 0.000 1.181 194 A CA 2.025 54.032 52.037 -0.049 0.000 0.627 194 A CB -0.951 18.082 19.000 0.056 0.000 0.818 194 A HN 0.599 nan 8.150 nan 0.000 0.445 195 E N -0.466 119.661 120.200 -0.121 0.000 2.047 195 E HA -0.079 4.274 4.350 0.005 0.000 0.191 195 E C 2.338 178.838 176.600 -0.166 0.000 0.987 195 E CA 0.951 57.290 56.400 -0.102 0.000 0.799 195 E CB -0.278 29.399 29.700 -0.039 0.000 0.752 195 E HN 0.621 nan 8.360 nan 0.000 0.449 196 A N 1.509 124.180 122.820 -0.250 0.000 1.933 196 A HA -0.220 4.102 4.320 0.005 0.000 0.218 196 A C 2.037 179.384 177.584 -0.395 0.000 1.175 196 A CA 1.461 53.318 52.037 -0.301 0.000 0.628 196 A CB -0.324 18.462 19.000 -0.356 0.000 0.814 196 A HN 0.046 nan 8.150 nan 0.000 0.444 197 K N -0.151 119.878 120.400 -0.617 0.000 2.002 197 K HA -0.189 4.134 4.320 0.005 0.000 0.209 197 K C 1.919 178.164 176.600 -0.592 0.000 1.048 197 K CA 1.673 57.501 56.287 -0.764 0.000 0.930 197 K CB -0.227 31.645 32.500 -1.046 0.000 0.714 197 K HN 0.605 nan 8.250 nan 0.000 0.438 198 E N -0.063 119.916 120.200 -0.369 0.000 2.097 198 E HA -0.239 4.113 4.350 0.005 0.000 0.196 198 E C 1.897 178.479 176.600 -0.030 0.000 1.000 198 E CA 1.393 57.706 56.400 -0.146 0.000 0.804 198 E CB -0.151 29.512 29.700 -0.062 0.000 0.740 198 E HN 0.439 nan 8.360 nan 0.000 0.454 199 A N 0.833 123.627 122.820 -0.044 0.000 1.930 199 A HA -0.127 4.196 4.320 0.005 0.000 0.217 199 A C 2.127 179.776 177.584 0.108 0.000 1.175 199 A CA 0.863 52.939 52.037 0.066 0.000 0.627 199 A CB -0.400 18.640 19.000 0.066 0.000 0.815 199 A HN 0.221 nan 8.150 nan 0.000 0.443 200 L N -1.603 119.615 121.223 -0.008 0.000 2.093 200 L HA -0.099 4.243 4.340 0.005 0.000 0.208 200 L C 2.210 179.259 176.870 0.298 0.000 1.085 200 L CA 1.760 56.642 54.840 0.071 0.000 0.755 200 L CB -0.675 41.365 42.059 -0.031 0.000 0.904 200 L HN 0.444 nan 8.230 nan 0.000 0.435 201 Y N -0.332 120.026 120.300 0.096 0.000 2.220 201 Y HA -0.174 4.377 4.550 0.001 0.000 0.291 201 Y C 2.546 178.507 175.900 0.102 0.000 1.129 201 Y CA 1.121 59.276 58.100 0.092 0.000 1.161 201 Y CB -1.055 37.426 38.460 0.035 0.000 0.997 201 Y HN 0.386 nan 8.280 nan 0.000 0.522 202 D N -0.968 119.595 120.400 0.272 0.000 2.182 202 D HA -0.266 4.377 4.640 0.005 0.000 0.201 202 D C 2.121 178.537 176.300 0.194 0.000 0.986 202 D CA 1.112 55.224 54.000 0.187 0.000 0.847 202 D CB -0.341 40.553 40.800 0.156 0.000 0.942 202 D HN 0.338 nan 8.370 nan 0.000 0.467 203 Y N 0.428 120.810 120.300 0.136 0.000 2.200 203 Y HA -0.039 4.509 4.550 -0.004 0.000 0.290 203 Y C 1.775 177.735 175.900 0.099 0.000 1.137 203 Y CA 1.393 59.570 58.100 0.127 0.000 1.163 203 Y CB -0.168 38.394 38.460 0.170 0.000 0.988 203 Y HN 0.017 nan 8.280 nan 0.000 0.518 204 L N -0.495 120.830 121.223 0.170 0.000 2.179 204 L HA -0.130 4.213 4.340 0.005 0.000 0.208 204 L C 2.362 179.215 176.870 -0.028 0.000 1.096 204 L CA 0.708 55.576 54.840 0.046 0.000 0.779 204 L CB -0.484 41.683 42.059 0.181 0.000 0.922 204 L HN 0.251 nan 8.230 nan 0.000 0.443 205 I N 0.734 121.305 120.570 0.001 0.000 2.091 205 I HA -0.287 3.885 4.170 0.005 0.000 0.240 205 I C -0.112 175.977 176.117 -0.047 0.000 1.046 205 I CA 1.945 63.231 61.300 -0.023 0.000 1.306 205 I CB -1.543 36.456 38.000 -0.002 0.000 1.018 205 I HN 0.279 nan 8.210 nan 0.000 0.404 206 P HA -0.111 nan 4.420 nan 0.000 0.219 206 P C 1.871 179.117 177.300 -0.089 0.000 1.150 206 P CA 1.612 64.668 63.100 -0.073 0.000 0.814 206 P CB -0.047 31.606 31.700 -0.078 0.000 0.787 207 I N -0.478 120.013 120.570 -0.131 0.000 2.252 207 I HA -0.192 3.980 4.170 0.005 0.000 0.245 207 I C 2.685 178.761 176.117 -0.068 0.000 1.102 207 I CA 1.175 62.402 61.300 -0.121 0.000 1.385 207 I CB -0.519 37.375 38.000 -0.178 0.000 1.064 207 I HN -0.181 nan 8.210 nan 0.000 0.414 208 I N 0.660 121.198 120.570 -0.053 0.000 2.179 208 I HA -0.285 3.888 4.170 0.005 0.000 0.242 208 I C 2.643 178.742 176.117 -0.031 0.000 1.088 208 I CA 1.426 62.707 61.300 -0.032 0.000 1.357 208 I CB -0.282 37.702 38.000 -0.027 0.000 1.051 208 I HN 0.228 nan 8.210 nan 0.000 0.409 209 E N 1.050 121.229 120.200 -0.035 0.000 2.110 209 E HA -0.295 4.058 4.350 0.005 0.000 0.193 209 E C 2.094 178.677 176.600 -0.029 0.000 0.988 209 E CA 1.528 57.910 56.400 -0.029 0.000 0.804 209 E CB -0.214 29.469 29.700 -0.029 0.000 0.745 209 E HN 0.450 nan 8.360 nan 0.000 0.458 210 Q N -0.088 119.690 119.800 -0.036 0.000 2.079 210 Q HA -0.116 4.226 4.340 0.005 0.000 0.200 210 Q C 2.011 177.994 176.000 -0.029 0.000 0.974 210 Q CA 1.290 57.072 55.803 -0.034 0.000 0.840 210 Q CB 0.006 28.718 28.738 -0.044 0.000 0.898 210 Q HN 0.220 nan 8.270 nan 0.000 0.430 211 R N -0.479 120.003 120.500 -0.030 0.000 2.276 211 R HA 0.028 4.371 4.340 0.005 0.000 0.203 211 R C 2.106 178.395 176.300 -0.019 0.000 1.017 211 R CA 0.479 56.564 56.100 -0.024 0.000 1.010 211 R CB 0.100 30.385 30.300 -0.025 0.000 0.900 211 R HN 0.174 nan 8.270 nan 0.000 0.469 212 R N -0.027 120.462 120.500 -0.018 0.000 2.161 212 R HA 0.000 4.343 4.340 0.005 0.000 0.213 212 R C 1.920 178.212 176.300 -0.014 0.000 1.055 212 R CA 0.724 56.816 56.100 -0.014 0.000 0.996 212 R CB 0.234 30.526 30.300 -0.013 0.000 0.901 212 R HN 0.118 nan 8.270 nan 0.000 0.456 213 Q N 0.375 120.166 119.800 -0.016 0.000 2.204 213 Q HA 0.050 4.392 4.340 0.005 0.000 0.198 213 Q C 0.160 176.151 176.000 -0.015 0.000 0.946 213 Q CA 1.106 56.900 55.803 -0.015 0.000 0.859 213 Q CB 0.544 29.273 28.738 -0.015 0.000 0.946 213 Q HN 0.140 nan 8.270 nan 0.000 0.474 214 K N 1.155 121.546 120.400 -0.016 0.000 2.762 214 K HA 0.366 4.688 4.320 0.005 0.000 0.180 214 K C -2.614 173.976 176.600 -0.017 0.000 1.067 214 K CA -1.485 54.793 56.287 -0.016 0.000 0.973 214 K CB 1.469 33.959 32.500 -0.017 0.000 1.290 214 K HN -0.071 nan 8.250 nan 0.000 0.604 215 P HA -0.050 nan 4.420 nan 0.000 0.265 215 P C 0.134 177.423 177.300 -0.018 0.000 1.187 215 P CA 0.167 63.257 63.100 -0.017 0.000 0.766 215 P CB 0.942 32.633 31.700 -0.015 0.000 0.820 216 G N 0.272 109.060 108.800 -0.021 0.000 3.209 216 G HA2 0.498 4.461 3.960 0.005 0.000 0.236 216 G HA3 0.498 4.461 3.960 0.005 0.000 0.236 216 G C 0.117 175.003 174.900 -0.024 0.000 1.329 216 G CA -0.273 44.813 45.100 -0.023 0.000 1.015 216 G HN 0.412 nan 8.290 nan 0.000 0.571 217 T N -1.599 112.939 114.554 -0.027 0.000 3.129 217 T HA 0.223 4.575 4.350 0.005 0.000 0.267 217 T C 0.186 174.863 174.700 -0.039 0.000 1.018 217 T CA 0.155 62.237 62.100 -0.029 0.000 0.903 217 T CB -0.256 68.596 68.868 -0.026 0.000 1.067 217 T HN 0.560 nan 8.240 nan 0.000 0.549 218 D N 0.898 121.270 120.400 -0.046 0.000 2.383 218 D HA 0.390 5.033 4.640 0.005 0.000 0.248 218 D C 1.476 177.737 176.300 -0.066 0.000 1.170 218 D CA -0.253 53.707 54.000 -0.067 0.000 0.977 218 D CB 1.468 42.223 40.800 -0.075 0.000 1.120 218 D HN 0.085 nan 8.370 nan 0.000 0.481 219 A N 1.116 123.879 122.820 -0.095 0.000 1.948 219 A HA -0.177 4.146 4.320 0.005 0.000 0.220 219 A C 2.338 179.899 177.584 -0.039 0.000 1.177 219 A CA 1.212 53.205 52.037 -0.073 0.000 0.636 219 A CB -0.800 18.128 19.000 -0.121 0.000 0.815 219 A HN 0.676 nan 8.150 nan 0.000 0.449 220 I N -0.410 120.134 120.570 -0.044 0.000 2.252 220 I HA -0.209 3.964 4.170 0.005 0.000 0.245 220 I C 2.638 178.748 176.117 -0.011 0.000 1.102 220 I CA 1.480 62.773 61.300 -0.012 0.000 1.385 220 I CB -0.341 37.654 38.000 -0.008 0.000 1.064 220 I HN 0.248 nan 8.210 nan 0.000 0.414 221 S N 0.916 116.603 115.700 -0.021 0.000 2.368 221 S HA -0.098 4.375 4.470 0.005 0.000 0.225 221 S C 2.010 176.603 174.600 -0.012 0.000 1.030 221 S CA 1.182 59.371 58.200 -0.018 0.000 0.999 221 S CB -0.280 62.906 63.200 -0.023 0.000 0.844 221 S HN 0.335 nan 8.310 nan 0.000 0.459 222 I N 0.965 121.527 120.570 -0.014 0.000 2.286 222 I HA -0.137 4.036 4.170 0.005 0.000 0.248 222 I C 2.145 178.263 176.117 0.003 0.000 1.115 222 I CA 0.884 62.179 61.300 -0.008 0.000 1.392 222 I CB -0.362 37.631 38.000 -0.012 0.000 1.065 222 I HN 0.163 nan 8.210 nan 0.000 0.418 223 V N 0.851 120.772 119.914 0.011 0.000 2.283 223 V HA -0.210 3.913 4.120 0.005 0.000 0.243 223 V C 2.701 178.811 176.094 0.027 0.000 1.039 223 V CA 1.863 64.180 62.300 0.030 0.000 1.016 223 V CB -0.848 31.002 31.823 0.044 0.000 0.650 223 V HN 0.464 nan 8.190 nan 0.000 0.449 224 A N 0.181 123.011 122.820 0.016 0.000 1.978 224 A HA -0.207 4.115 4.320 0.005 0.000 0.220 224 A C 1.795 179.383 177.584 0.007 0.000 1.170 224 A CA 1.979 54.022 52.037 0.010 0.000 0.636 224 A CB -0.473 18.527 19.000 -0.001 0.000 0.810 224 A HN 0.620 nan 8.150 nan 0.000 0.448 225 N N -0.280 118.422 118.700 0.002 0.000 2.214 225 N HA 0.132 4.874 4.740 0.005 0.000 0.214 225 N C 0.681 176.189 175.510 -0.003 0.000 1.132 225 N CA 0.617 53.666 53.050 -0.002 0.000 0.856 225 N CB 0.544 39.026 38.487 -0.007 0.000 1.020 225 N HN 0.421 nan 8.380 nan 0.000 0.509 226 G N 0.046 108.848 108.800 0.003 0.000 2.557 226 G HA2 0.398 4.361 3.960 0.005 0.000 0.292 226 G HA3 0.398 4.361 3.960 0.005 0.000 0.292 226 G C -0.312 174.581 174.900 -0.011 0.000 1.237 226 G CA -0.218 44.881 45.100 -0.003 0.000 0.978 226 G HN 0.065 nan 8.290 nan 0.000 0.498 227 Q N -1.437 118.346 119.800 -0.028 0.000 2.377 227 Q HA 0.501 4.844 4.340 0.005 0.000 0.271 227 Q C -0.934 175.011 176.000 -0.090 0.000 1.077 227 Q CA -0.936 54.837 55.803 -0.050 0.000 0.820 227 Q CB 2.825 31.535 28.738 -0.047 0.000 1.347 227 Q HN 0.497 nan 8.270 nan 0.000 0.444 228 V N -0.124 119.705 119.914 -0.142 0.000 2.350 228 V HA 0.415 4.538 4.120 0.005 0.000 0.285 228 V C -0.277 175.692 176.094 -0.209 0.000 1.014 228 V CA -0.955 61.188 62.300 -0.262 0.000 0.831 228 V CB 1.002 32.505 31.823 -0.533 0.000 1.000 228 V HN 0.833 nan 8.190 nan 0.000 0.433 229 N N 3.795 122.393 118.700 -0.169 0.000 2.714 229 N HA -0.185 4.558 4.740 0.005 0.000 0.252 229 N C 1.308 176.763 175.510 -0.090 0.000 1.014 229 N CA 2.029 55.006 53.050 -0.122 0.000 0.735 229 N CB -1.193 37.214 38.487 -0.132 0.000 0.924 229 N HN 1.950 nan 8.380 nan 0.000 0.540 230 G N -1.887 106.866 108.800 -0.078 0.000 2.199 230 G HA2 -0.361 3.602 3.960 0.005 0.000 0.254 230 G HA3 -0.361 3.602 3.960 0.005 0.000 0.254 230 G C 0.009 174.878 174.900 -0.051 0.000 0.982 230 G CA 0.656 45.722 45.100 -0.056 0.000 0.632 230 G HN 0.866 nan 8.290 nan 0.000 0.529 231 R N -0.282 120.181 120.500 -0.063 0.000 2.740 231 R HA 0.749 5.092 4.340 0.005 0.000 0.282 231 R C -3.225 173.049 176.300 -0.042 0.000 0.969 231 R CA -2.713 53.359 56.100 -0.046 0.000 0.918 231 R CB 0.324 30.599 30.300 -0.042 0.000 1.175 231 R HN 0.046 nan 8.270 nan 0.000 0.464 232 P HA -0.015 nan 4.420 nan 0.000 0.261 232 P C -0.235 177.066 177.300 0.002 0.000 1.183 232 P CA 0.026 63.119 63.100 -0.012 0.000 0.761 232 P CB 0.395 32.091 31.700 -0.006 0.000 0.785 233 I N 2.988 123.566 120.570 0.013 0.000 2.779 233 I HA 0.100 4.273 4.170 0.005 0.000 0.285 233 I C 0.768 176.916 176.117 0.051 0.000 1.134 233 I CA 0.116 61.450 61.300 0.056 0.000 1.398 233 I CB 0.858 38.905 38.000 0.078 0.000 1.404 233 I HN 0.380 nan 8.210 nan 0.000 0.587 234 T N 1.955 116.551 114.554 0.069 0.000 2.912 234 T HA 0.259 4.612 4.350 0.005 0.000 0.280 234 T C 0.975 175.685 174.700 0.017 0.000 0.989 234 T CA -0.468 61.653 62.100 0.036 0.000 0.995 234 T CB 1.599 70.489 68.868 0.035 0.000 1.077 234 T HN 0.638 nan 8.240 nan 0.000 0.531 235 S N 0.533 116.230 115.700 -0.004 0.000 2.368 235 S HA -0.125 4.348 4.470 0.005 0.000 0.225 235 S C 1.696 176.265 174.600 -0.051 0.000 1.030 235 S CA 1.206 59.392 58.200 -0.023 0.000 0.999 235 S CB -0.547 62.638 63.200 -0.026 0.000 0.844 235 S HN 0.774 nan 8.310 nan 0.000 0.459 236 D N 1.008 121.374 120.400 -0.056 0.000 2.097 236 D HA -0.090 4.553 4.640 0.005 0.000 0.195 236 D C 2.011 178.239 176.300 -0.119 0.000 0.989 236 D CA 1.019 54.957 54.000 -0.104 0.000 0.827 236 D CB -0.181 40.573 40.800 -0.077 0.000 0.966 236 D HN 0.508 nan 8.370 nan 0.000 0.456 237 E N 0.632 120.801 120.200 -0.051 0.000 2.077 237 E HA -0.136 4.217 4.350 0.005 0.000 0.193 237 E C 2.115 178.703 176.600 -0.021 0.000 0.989 237 E CA 0.956 57.332 56.400 -0.039 0.000 0.800 237 E CB -0.033 29.736 29.700 0.116 0.000 0.746 237 E HN 0.167 nan 8.360 nan 0.000 0.452 238 A N 1.722 124.546 122.820 0.005 0.000 1.933 238 A HA -0.245 4.078 4.320 0.005 0.000 0.218 238 A C 2.073 179.642 177.584 -0.024 0.000 1.175 238 A CA 1.648 53.693 52.037 0.014 0.000 0.628 238 A CB -0.399 18.608 19.000 0.012 0.000 0.814 238 A HN 0.083 nan 8.150 nan 0.000 0.444 239 K N -0.266 120.075 120.400 -0.099 0.000 2.057 239 K HA -0.148 4.174 4.320 0.005 0.000 0.207 239 K C 2.183 178.661 176.600 -0.203 0.000 1.049 239 K CA 1.403 57.581 56.287 -0.181 0.000 0.931 239 K CB -0.197 32.094 32.500 -0.349 0.000 0.714 239 K HN 0.455 nan 8.250 nan 0.000 0.440 240 R N 0.075 120.440 120.500 -0.224 0.000 2.148 240 R HA -0.071 4.272 4.340 0.005 0.000 0.227 240 R C 2.370 178.757 176.300 0.145 0.000 1.103 240 R CA 1.533 57.628 56.100 -0.008 0.000 0.983 240 R CB -0.189 30.069 30.300 -0.070 0.000 0.874 240 R HN 0.350 nan 8.270 nan 0.000 0.451 241 M N -0.287 119.341 119.600 0.047 0.000 2.216 241 M HA -0.091 4.392 4.480 0.005 0.000 0.264 241 M C 1.834 178.169 176.300 0.059 0.000 1.080 241 M CA 1.420 56.756 55.300 0.061 0.000 1.153 241 M CB 0.098 32.744 32.600 0.077 0.000 1.356 241 M HN 0.193 nan 8.290 nan 0.000 0.432 242 C N 0.738 120.081 119.300 0.071 0.000 2.435 242 C HA -0.009 4.454 4.460 0.005 0.000 0.279 242 C C 2.720 177.766 174.990 0.092 0.000 1.321 242 C CA 0.951 60.026 59.018 0.095 0.000 1.752 242 C CB -1.861 25.939 27.740 0.100 0.000 1.959 242 C HN 0.814 nan 8.230 nan 0.000 0.500 243 G N 0.312 109.187 108.800 0.126 0.000 2.422 243 G HA2 -0.165 3.798 3.960 0.005 0.000 0.218 243 G HA3 -0.165 3.798 3.960 0.005 0.000 0.218 243 G C 1.595 176.238 174.900 -0.429 0.000 1.146 243 G CA 0.467 45.632 45.100 0.107 0.000 0.769 243 G HN 0.462 nan 8.290 nan 0.000 0.547 244 L N 0.483 121.379 121.223 -0.546 0.000 2.056 244 L HA 0.120 4.462 4.340 0.005 0.000 0.207 244 L C 2.721 179.387 176.870 -0.340 0.000 1.078 244 L CA 1.340 55.743 54.840 -0.728 0.000 0.749 244 L CB -0.738 41.100 42.059 -0.368 0.000 0.901 244 L HN 0.229 nan 8.230 nan 0.000 0.433 245 L N -0.583 120.562 121.223 -0.130 0.000 2.083 245 L HA -0.267 4.076 4.340 0.005 0.000 0.209 245 L C 2.702 179.438 176.870 -0.224 0.000 1.083 245 L CA 0.982 55.816 54.840 -0.010 0.000 0.752 245 L CB -0.514 41.685 42.059 0.233 0.000 0.899 245 L HN 0.279 nan 8.230 nan 0.000 0.433 246 L N -0.881 120.249 121.223 -0.155 0.000 2.017 246 L HA -0.198 4.145 4.340 0.005 0.000 0.208 246 L C 2.538 179.145 176.870 -0.438 0.000 1.073 246 L CA 0.995 55.658 54.840 -0.294 0.000 0.745 246 L CB -0.399 41.637 42.059 -0.038 0.000 0.894 246 L HN 0.055 nan 8.230 nan 0.000 0.432 247 V N -0.058 119.647 119.914 -0.348 0.000 2.343 247 V HA -0.210 3.913 4.120 0.005 0.000 0.247 247 V C 2.566 178.509 176.094 -0.252 0.000 1.051 247 V CA 1.943 64.082 62.300 -0.267 0.000 1.036 247 V CB -1.240 30.435 31.823 -0.248 0.000 0.654 247 V HN 0.590 nan 8.190 nan 0.000 0.451 248 G N -0.200 108.430 108.800 -0.283 0.000 2.448 248 G HA2 -0.099 3.864 3.960 0.005 0.000 0.219 248 G HA3 -0.099 3.864 3.960 0.005 0.000 0.219 248 G C 1.473 176.188 174.900 -0.309 0.000 1.127 248 G CA 0.898 45.870 45.100 -0.214 0.000 0.766 248 G HN 0.607 nan 8.290 nan 0.000 0.552 249 G N -0.136 108.272 108.800 -0.652 0.000 2.744 249 G HA2 0.202 4.164 3.960 0.005 0.000 0.211 249 G HA3 0.202 4.164 3.960 0.005 0.000 0.211 249 G C 1.204 175.835 174.900 -0.447 0.000 1.146 249 G CA 0.045 44.703 45.100 -0.738 0.000 0.787 249 G HN 0.291 nan 8.290 nan 0.000 0.534 250 L N 0.135 121.125 121.223 -0.387 0.000 2.607 250 L HA 0.384 4.727 4.340 0.005 0.000 0.228 250 L C 1.250 178.047 176.870 -0.121 0.000 1.123 250 L CA 0.639 55.353 54.840 -0.210 0.000 0.890 250 L CB 0.903 42.847 42.059 -0.192 0.000 1.103 250 L HN 0.019 nan 8.230 nan 0.000 0.468 251 D N -2.200 118.141 120.400 -0.100 0.000 2.680 251 D HA -0.020 4.623 4.640 0.005 0.000 0.295 251 D C 2.042 178.343 176.300 0.002 0.000 1.097 251 D CA 1.316 55.292 54.000 -0.040 0.000 0.952 251 D CB 0.465 41.252 40.800 -0.021 0.000 1.491 251 D HN 0.181 nan 8.370 nan 0.000 0.486 252 T N -0.665 113.894 114.554 0.008 0.000 2.643 252 T HA -0.098 4.255 4.350 0.005 0.000 0.264 252 T C 2.110 176.879 174.700 0.116 0.000 1.045 252 T CA 1.647 63.779 62.100 0.053 0.000 1.155 252 T CB -0.937 67.949 68.868 0.030 0.000 0.863 252 T HN -0.056 nan 8.240 nan 0.000 0.420 253 V N 1.688 121.663 119.914 0.102 0.000 2.343 253 V HA -0.152 3.970 4.120 0.005 0.000 0.247 253 V C 2.976 179.181 176.094 0.186 0.000 1.051 253 V CA 1.381 63.790 62.300 0.182 0.000 1.036 253 V CB -0.913 30.987 31.823 0.129 0.000 0.654 253 V HN 0.383 nan 8.190 nan 0.000 0.451 254 V N 0.822 120.787 119.914 0.085 0.000 2.250 254 V HA -0.325 3.798 4.120 0.005 0.000 0.250 254 V C 2.296 178.417 176.094 0.044 0.000 1.060 254 V CA 2.506 64.833 62.300 0.045 0.000 1.030 254 V CB -0.827 30.990 31.823 -0.010 0.000 0.643 254 V HN 0.615 nan 8.190 nan 0.000 0.445 255 N N -0.860 117.863 118.700 0.038 0.000 2.216 255 N HA -0.112 4.630 4.740 0.005 0.000 0.183 255 N C 1.822 177.331 175.510 -0.003 0.000 1.017 255 N CA 1.514 54.532 53.050 -0.053 0.000 0.861 255 N CB -0.288 38.192 38.487 -0.013 0.000 0.986 255 N HN 0.553 nan 8.380 nan 0.000 0.428 256 F N 2.302 122.310 119.950 0.096 0.000 2.134 256 F HA -0.087 4.443 4.527 0.004 0.000 0.299 256 F C 2.204 178.089 175.800 0.142 0.000 1.097 256 F CA 0.982 59.099 58.000 0.195 0.000 1.264 256 F CB -0.193 38.881 39.000 0.123 0.000 1.001 256 F HN -0.090 nan 8.300 nan 0.000 0.479 257 L N -0.521 120.735 121.223 0.055 0.000 2.042 257 L HA -0.285 4.058 4.340 0.005 0.000 0.210 257 L C 2.532 179.372 176.870 -0.050 0.000 1.076 257 L CA 1.620 56.488 54.840 0.047 0.000 0.749 257 L CB -0.964 41.306 42.059 0.351 0.000 0.893 257 L HN 0.104 nan 8.230 nan 0.000 0.432 258 S N -0.653 115.050 115.700 0.005 0.000 2.399 258 S HA -0.118 4.355 4.470 0.005 0.000 0.231 258 S C 1.740 176.140 174.600 -0.334 0.000 1.022 258 S CA 1.153 59.301 58.200 -0.088 0.000 0.983 258 S CB -0.279 62.852 63.200 -0.115 0.000 0.803 258 S HN 0.216 nan 8.310 nan 0.000 0.480 259 F N 2.055 121.784 119.950 -0.369 0.000 2.146 259 F HA -0.032 4.497 4.527 0.005 0.000 0.298 259 F C 2.730 177.975 175.800 -0.926 0.000 1.096 259 F CA 0.739 58.397 58.000 -0.570 0.000 1.275 259 F CB -0.912 37.779 39.000 -0.516 0.000 1.008 259 F HN 0.091 nan 8.300 nan 0.000 0.480 260 S N -0.472 114.802 115.700 -0.709 0.000 2.368 260 S HA -0.147 4.326 4.470 0.005 0.000 0.224 260 S C 2.092 176.474 174.600 -0.362 0.000 1.029 260 S CA 1.033 58.867 58.200 -0.611 0.000 0.988 260 S CB -0.201 62.681 63.200 -0.530 0.000 0.838 260 S HN 0.190 nan 8.310 nan 0.000 0.462 261 M N 1.184 120.500 119.600 -0.473 0.000 2.254 261 M HA 0.032 4.515 4.480 0.005 0.000 0.265 261 M C 2.184 178.281 176.300 -0.338 0.000 1.066 261 M CA 1.006 55.971 55.300 -0.559 0.000 1.123 261 M CB -1.058 30.763 32.600 -1.299 0.000 1.388 261 M HN 0.430 nan 8.290 nan 0.000 0.425 262 E N 0.079 120.101 120.200 -0.297 0.000 2.051 262 E HA -0.232 4.120 4.350 0.005 0.000 0.192 262 E C 1.985 178.522 176.600 -0.106 0.000 0.991 262 E CA 1.252 57.565 56.400 -0.145 0.000 0.799 262 E CB -0.179 29.488 29.700 -0.056 0.000 0.748 262 E HN 0.392 nan 8.360 nan 0.000 0.449 263 F N 1.233 121.009 119.950 -0.290 0.000 2.102 263 F HA -0.143 4.387 4.527 0.004 0.000 0.298 263 F C 1.976 177.689 175.800 -0.145 0.000 1.105 263 F CA 1.282 59.155 58.000 -0.211 0.000 1.239 263 F CB -0.163 38.649 39.000 -0.314 0.000 0.991 263 F HN -0.012 nan 8.300 nan 0.000 0.474 264 L N 0.153 121.235 121.223 -0.234 0.000 2.131 264 L HA -0.173 4.169 4.340 0.005 0.000 0.210 264 L C 2.696 179.318 176.870 -0.413 0.000 1.092 264 L CA 1.007 55.681 54.840 -0.276 0.000 0.759 264 L CB -0.995 41.078 42.059 0.024 0.000 0.903 264 L HN 0.315 nan 8.230 nan 0.000 0.435 265 A N -0.361 122.306 122.820 -0.255 0.000 2.066 265 A HA -0.117 4.206 4.320 0.005 0.000 0.218 265 A C 2.060 179.479 177.584 -0.275 0.000 1.157 265 A CA 1.062 52.934 52.037 -0.274 0.000 0.670 265 A CB -0.122 18.929 19.000 0.085 0.000 0.804 265 A HN 0.316 nan 8.150 nan 0.000 0.453 266 K N -0.764 119.458 120.400 -0.296 0.000 2.358 266 K HA 0.174 4.496 4.320 0.005 0.000 0.197 266 K C 0.064 176.474 176.600 -0.317 0.000 1.025 266 K CA 0.286 56.426 56.287 -0.245 0.000 1.104 266 K CB 0.479 32.878 32.500 -0.169 0.000 0.855 266 K HN 0.200 nan 8.250 nan 0.000 0.531 267 S N 1.626 117.059 115.700 -0.444 0.000 2.279 267 S HA 0.211 4.684 4.470 0.005 0.000 0.176 267 S C -2.085 172.375 174.600 -0.234 0.000 1.554 267 S CA -1.559 56.425 58.200 -0.361 0.000 1.242 267 S CB 0.669 63.492 63.200 -0.628 0.000 1.163 267 S HN -0.053 nan 8.310 nan 0.000 0.449 268 P HA -0.169 nan 4.420 nan 0.000 0.216 268 P C 1.005 178.254 177.300 -0.086 0.000 1.150 268 P CA 1.210 64.214 63.100 -0.159 0.000 0.837 268 P CB 0.240 31.858 31.700 -0.136 0.000 0.786 269 E N -0.668 119.491 120.200 -0.067 0.000 2.085 269 E HA -0.216 4.137 4.350 0.005 0.000 0.194 269 E C 2.129 178.688 176.600 -0.069 0.000 0.994 269 E CA 1.239 57.591 56.400 -0.079 0.000 0.801 269 E CB -0.650 28.978 29.700 -0.121 0.000 0.743 269 E HN 0.498 nan 8.360 nan 0.000 0.453 270 H N 0.156 119.222 119.070 -0.007 0.000 2.389 270 H HA 0.036 4.595 4.556 0.005 0.000 0.299 270 H C 2.159 177.619 175.328 0.220 0.000 1.081 270 H CA 1.133 57.281 56.048 0.166 0.000 1.345 270 H CB 0.122 29.998 29.762 0.190 0.000 1.393 270 H HN 0.009 nan 8.280 nan 0.000 0.520 271 R N 0.153 120.745 120.500 0.154 0.000 2.070 271 R HA -0.174 4.169 4.340 0.005 0.000 0.233 271 R C 2.292 178.633 176.300 0.069 0.000 1.137 271 R CA 1.462 57.608 56.100 0.077 0.000 0.945 271 R CB -0.257 29.988 30.300 -0.092 0.000 0.845 271 R HN 0.259 nan 8.270 nan 0.000 0.430 272 Q N 1.401 121.217 119.800 0.026 0.000 2.112 272 Q HA -0.243 4.099 4.340 0.005 0.000 0.206 272 Q C 1.819 177.848 176.000 0.049 0.000 0.987 272 Q CA 2.082 57.897 55.803 0.019 0.000 0.858 272 Q CB -0.197 28.538 28.738 -0.006 0.000 0.905 272 Q HN 0.372 nan 8.270 nan 0.000 0.420 273 E N -0.745 119.504 120.200 0.081 0.000 2.097 273 E HA -0.206 4.147 4.350 0.005 0.000 0.196 273 E C 1.721 178.389 176.600 0.113 0.000 1.000 273 E CA 1.508 57.977 56.400 0.115 0.000 0.804 273 E CB -0.173 29.649 29.700 0.204 0.000 0.740 273 E HN 0.498 nan 8.360 nan 0.000 0.454 274 L N 0.274 121.567 121.223 0.116 0.000 2.341 274 L HA -0.019 4.324 4.340 0.005 0.000 0.214 274 L C 2.326 179.223 176.870 0.044 0.000 1.115 274 L CA 0.154 55.025 54.840 0.052 0.000 0.820 274 L CB -0.139 41.931 42.059 0.019 0.000 0.944 274 L HN 0.215 nan 8.230 nan 0.000 0.452 275 I N -0.306 120.294 120.570 0.051 0.000 2.133 275 I HA -0.282 3.891 4.170 0.005 0.000 0.238 275 I C 2.576 178.711 176.117 0.029 0.000 1.074 275 I CA 1.370 62.692 61.300 0.037 0.000 1.342 275 I CB -0.240 37.779 38.000 0.031 0.000 1.053 275 I HN 0.269 nan 8.210 nan 0.000 0.404 276 Q N 0.440 120.259 119.800 0.031 0.000 2.135 276 Q HA -0.107 4.236 4.340 0.005 0.000 0.204 276 Q C 0.563 176.580 176.000 0.028 0.000 0.981 276 Q CA 1.242 57.060 55.803 0.026 0.000 0.856 276 Q CB 0.073 28.826 28.738 0.026 0.000 0.902 276 Q HN 0.397 nan 8.270 nan 0.000 0.425 277 R N 0.301 120.822 120.500 0.035 0.000 2.547 277 R HA 0.157 4.500 4.340 0.005 0.000 0.280 277 R C -2.076 174.239 176.300 0.025 0.000 1.630 277 R CA -1.239 54.880 56.100 0.032 0.000 1.470 277 R CB 1.151 31.476 30.300 0.041 0.000 1.178 277 R HN 0.078 nan 8.270 nan 0.000 0.591 278 P HA -0.228 nan 4.420 nan 0.000 0.220 278 P C 0.762 178.068 177.300 0.010 0.000 1.148 278 P CA 1.223 64.331 63.100 0.013 0.000 0.803 278 P CB 0.401 32.111 31.700 0.018 0.000 0.782 279 E N 0.982 121.192 120.200 0.016 0.000 2.515 279 E HA -0.156 4.197 4.350 0.005 0.000 0.201 279 E C 1.455 178.065 176.600 0.016 0.000 1.071 279 E CA 0.679 57.090 56.400 0.018 0.000 0.880 279 E CB -0.604 29.110 29.700 0.023 0.000 0.828 279 E HN 0.337 nan 8.360 nan 0.000 0.540 280 R N 0.048 120.551 120.500 0.005 0.000 2.312 280 R HA 0.322 4.665 4.340 0.005 0.000 0.205 280 R C 2.280 178.539 176.300 -0.069 0.000 0.904 280 R CA -0.018 56.078 56.100 -0.006 0.000 1.052 280 R CB 0.011 30.320 30.300 0.014 0.000 1.014 280 R HN 0.165 nan 8.270 nan 0.000 0.503 281 I N 1.736 122.265 120.570 -0.067 0.000 2.194 281 I HA -0.225 3.948 4.170 0.005 0.000 0.246 281 I C -0.809 175.278 176.117 -0.050 0.000 1.093 281 I CA 1.561 62.805 61.300 -0.093 0.000 1.355 281 I CB -1.007 36.975 38.000 -0.031 0.000 1.046 281 I HN 0.033 nan 8.210 nan 0.000 0.413 282 P HA -0.153 nan 4.420 nan 0.000 0.216 282 P C 1.477 178.805 177.300 0.048 0.000 1.153 282 P CA 1.776 64.900 63.100 0.039 0.000 0.848 282 P CB 0.014 31.742 31.700 0.047 0.000 0.787 283 A N -0.162 122.679 122.820 0.035 0.000 1.929 283 A HA -0.021 4.301 4.320 0.005 0.000 0.216 283 A C 2.290 179.919 177.584 0.075 0.000 1.176 283 A CA 1.767 53.847 52.037 0.072 0.000 0.628 283 A CB -1.564 17.487 19.000 0.085 0.000 0.816 283 A HN 0.165 nan 8.150 nan 0.000 0.444 284 A N -0.800 121.971 122.820 -0.082 0.000 1.908 284 A HA -0.239 4.084 4.320 0.005 0.000 0.218 284 A C 2.404 179.984 177.584 -0.007 0.000 1.181 284 A CA 1.755 53.596 52.037 -0.326 0.000 0.627 284 A CB -1.490 16.838 19.000 -1.120 0.000 0.818 284 A HN 0.905 nan 8.150 nan 0.000 0.445 285 C N -0.616 118.699 119.300 0.025 0.000 2.413 285 C HA -0.132 4.331 4.460 0.005 0.000 0.276 285 C C 2.578 177.671 174.990 0.171 0.000 1.248 285 C CA 1.873 60.977 59.018 0.144 0.000 1.742 285 C CB -1.068 26.753 27.740 0.135 0.000 2.017 285 C HN 0.690 nan 8.230 nan 0.000 0.481 286 E N 0.637 120.923 120.200 0.145 0.000 2.072 286 E HA -0.173 4.180 4.350 0.005 0.000 0.191 286 E C 2.063 178.738 176.600 0.126 0.000 0.985 286 E CA 1.746 58.233 56.400 0.145 0.000 0.801 286 E CB -0.357 29.449 29.700 0.177 0.000 0.750 286 E HN 0.772 nan 8.360 nan 0.000 0.452 287 E N 0.018 120.329 120.200 0.184 0.000 2.106 287 E HA -0.117 4.236 4.350 0.005 0.000 0.192 287 E C 1.875 178.555 176.600 0.134 0.000 0.984 287 E CA 1.083 57.589 56.400 0.176 0.000 0.806 287 E CB -0.288 29.598 29.700 0.311 0.000 0.750 287 E HN 0.346 nan 8.360 nan 0.000 0.458 288 L N -0.061 121.321 121.223 0.266 0.000 2.141 288 L HA -0.100 4.242 4.340 0.005 0.000 0.209 288 L C 2.428 179.562 176.870 0.441 0.000 1.094 288 L CA 0.684 55.754 54.840 0.382 0.000 0.763 288 L CB -0.323 42.018 42.059 0.469 0.000 0.908 288 L HN 0.223 nan 8.230 nan 0.000 0.437 289 L N -0.566 120.771 121.223 0.191 0.000 2.131 289 L HA -0.207 4.136 4.340 0.005 0.000 0.210 289 L C 2.829 179.467 176.870 -0.388 0.000 1.092 289 L CA 1.081 55.751 54.840 -0.285 0.000 0.759 289 L CB -0.418 41.295 42.059 -0.575 0.000 0.903 289 L HN 0.263 nan 8.230 nan 0.000 0.435 290 R N 0.282 120.600 120.500 -0.304 0.000 2.055 290 R HA -0.190 4.152 4.340 0.005 0.000 0.228 290 R C 2.487 178.627 176.300 -0.268 0.000 1.143 290 R CA 1.472 57.411 56.100 -0.269 0.000 0.945 290 R CB -0.108 30.141 30.300 -0.086 0.000 0.841 290 R HN 0.053 nan 8.270 nan 0.000 0.429 291 R N -0.035 120.265 120.500 -0.335 0.000 2.092 291 R HA -0.074 4.269 4.340 0.005 0.000 0.231 291 R C 0.738 176.525 176.300 -0.855 0.000 1.119 291 R CA 1.602 57.316 56.100 -0.643 0.000 0.970 291 R CB -0.223 29.501 30.300 -0.959 0.000 0.864 291 R HN 0.268 nan 8.270 nan 0.000 0.440 292 F N 0.325 120.174 119.950 -0.169 0.000 2.837 292 F HA 0.391 4.921 4.527 0.004 0.000 0.298 292 F C 0.498 176.175 175.800 -0.205 0.000 1.161 292 F CA -0.533 57.308 58.000 -0.266 0.000 1.353 292 F CB 0.209 39.071 39.000 -0.230 0.000 0.951 292 F HN -0.112 nan 8.300 nan 0.000 0.508 293 S N 1.812 117.401 115.700 -0.185 0.000 2.558 293 S HA 0.172 4.645 4.470 0.005 0.000 0.287 293 S C 0.883 175.311 174.600 -0.288 0.000 1.321 293 S CA -0.031 58.014 58.200 -0.258 0.000 1.048 293 S CB 0.484 63.498 63.200 -0.310 0.000 0.844 293 S HN 0.559 nan 8.310 nan 0.000 0.512 294 L N 1.967 123.044 121.223 -0.243 0.000 3.515 294 L HA 0.569 4.911 4.340 0.005 0.000 0.322 294 L C -0.846 175.878 176.870 -0.243 0.000 1.225 294 L CA -0.575 54.132 54.840 -0.223 0.000 1.104 294 L CB 0.170 42.257 42.059 0.047 0.000 1.506 294 L HN 0.319 nan 8.230 nan 0.000 0.624 295 V N 1.832 121.587 119.914 -0.265 0.000 2.532 295 V HA 0.842 4.964 4.120 0.005 0.000 0.295 295 V C 0.274 176.186 176.094 -0.304 0.000 1.041 295 V CA 0.066 62.227 62.300 -0.232 0.000 0.926 295 V CB 1.512 33.242 31.823 -0.154 0.000 0.992 295 V HN 0.353 nan 8.190 nan 0.000 0.457 296 A N 3.350 126.005 122.820 -0.274 0.000 2.741 296 A HA 0.651 4.973 4.320 0.005 0.000 0.298 296 A C -0.734 176.761 177.584 -0.148 0.000 1.153 296 A CA -0.648 51.244 52.037 -0.241 0.000 0.816 296 A CB 0.494 19.208 19.000 -0.478 0.000 1.396 296 A HN 0.840 nan 8.150 nan 0.000 0.407 297 D N 1.121 121.481 120.400 -0.068 0.000 2.668 297 D HA 0.868 5.510 4.640 0.005 0.000 0.249 297 D C 0.546 176.864 176.300 0.029 0.000 1.150 297 D CA 0.061 54.014 54.000 -0.078 0.000 1.090 297 D CB 1.034 41.824 40.800 -0.018 0.000 1.244 297 D HN 0.870 nan 8.370 nan 0.000 0.636 298 G N -1.816 107.008 108.800 0.039 0.000 2.677 298 G HA2 0.538 4.501 3.960 0.005 0.000 0.283 298 G HA3 0.538 4.501 3.960 0.005 0.000 0.283 298 G C -1.071 173.835 174.900 0.010 0.000 1.221 298 G CA -0.713 44.390 45.100 0.005 0.000 0.851 298 G HN 0.440 nan 8.290 nan 0.000 0.504 299 R N -1.240 119.253 120.500 -0.011 0.000 2.885 299 R HA 0.681 5.023 4.340 0.005 0.000 0.260 299 R C -1.386 174.976 176.300 0.103 0.000 1.107 299 R CA -0.773 55.359 56.100 0.054 0.000 0.978 299 R CB 1.611 31.972 30.300 0.101 0.000 1.227 299 R HN 0.590 nan 8.270 nan 0.000 0.473 300 I N 1.218 121.862 120.570 0.123 0.000 2.545 300 I HA 0.274 4.447 4.170 0.005 0.000 0.292 300 I C -0.720 175.473 176.117 0.126 0.000 1.040 300 I CA -1.032 60.347 61.300 0.131 0.000 1.068 300 I CB 1.418 39.470 38.000 0.086 0.000 1.251 300 I HN 0.212 nan 8.210 nan 0.000 0.424 301 L N 6.468 127.773 121.223 0.137 0.000 2.462 301 L HA 0.112 4.455 4.340 0.005 0.000 0.272 301 L C 1.573 178.453 176.870 0.018 0.000 1.166 301 L CA 0.487 55.354 54.840 0.045 0.000 0.880 301 L CB 1.011 43.127 42.059 0.095 0.000 1.142 301 L HN 0.814 nan 8.230 nan 0.000 0.473 302 T N -1.433 113.095 114.554 -0.043 0.000 3.043 302 T HA 0.047 4.400 4.350 0.005 0.000 0.263 302 T C 0.771 175.461 174.700 -0.018 0.000 1.094 302 T CA 0.514 62.596 62.100 -0.031 0.000 1.127 302 T CB 0.184 69.008 68.868 -0.073 0.000 0.905 302 T HN 0.642 nan 8.240 nan 0.000 0.490 303 S N -0.310 115.385 115.700 -0.008 0.000 2.636 303 S HA 0.458 4.930 4.470 0.005 0.000 0.268 303 S C -2.109 172.518 174.600 0.045 0.000 1.159 303 S CA -1.168 57.044 58.200 0.020 0.000 0.815 303 S CB 0.986 64.199 63.200 0.022 0.000 1.130 303 S HN 0.055 nan 8.310 nan 0.000 0.471 304 D N 1.034 121.464 120.400 0.050 0.000 2.414 304 D HA 0.491 5.134 4.640 0.005 0.000 0.242 304 D C -0.856 175.517 176.300 0.121 0.000 1.129 304 D CA 0.972 55.008 54.000 0.060 0.000 0.885 304 D CB 0.206 41.026 40.800 0.032 0.000 1.198 304 D HN 0.548 nan 8.370 nan 0.000 0.437 305 Y N 0.257 120.498 120.300 -0.097 0.000 2.480 305 Y HA 0.164 4.717 4.550 0.004 0.000 0.329 305 Y C -1.227 174.602 175.900 -0.117 0.000 1.127 305 Y CA -0.908 57.080 58.100 -0.187 0.000 1.037 305 Y CB 1.278 39.468 38.460 -0.449 0.000 1.320 305 Y HN 0.302 nan 8.280 nan 0.000 0.446 306 E N 5.780 125.658 120.200 -0.536 0.000 2.130 306 E HA 0.318 4.671 4.350 0.005 0.000 0.284 306 E C -1.875 174.250 176.600 -0.791 0.000 1.018 306 E CA -0.463 55.651 56.400 -0.477 0.000 0.817 306 E CB 0.591 30.129 29.700 -0.271 0.000 1.078 306 E HN 0.458 nan 8.360 nan 0.000 0.396 307 F N 5.026 124.585 119.950 -0.651 0.000 2.460 307 F HA 0.238 4.768 4.527 0.005 0.000 0.341 307 F C -0.251 175.468 175.800 -0.137 0.000 1.130 307 F CA -0.590 57.154 58.000 -0.427 0.000 0.962 307 F CB 0.531 39.435 39.000 -0.160 0.000 1.171 307 F HN 0.631 nan 8.300 nan 0.000 0.436 308 H N 4.108 122.822 119.070 -0.594 0.000 2.692 308 H HA -0.190 4.368 4.556 0.005 0.000 0.316 308 H C 1.398 176.563 175.328 -0.272 0.000 1.176 308 H CA 1.092 56.850 56.048 -0.483 0.000 1.142 308 H CB -1.009 28.360 29.762 -0.654 0.000 1.475 308 H HN 1.185 nan 8.280 nan 0.000 0.423 309 G N -1.007 107.687 108.800 -0.177 0.000 2.168 309 G HA2 -0.311 3.652 3.960 0.005 0.000 0.263 309 G HA3 -0.311 3.652 3.960 0.005 0.000 0.263 309 G C 0.239 175.099 174.900 -0.066 0.000 0.977 309 G CA 0.383 45.422 45.100 -0.102 0.000 0.659 309 G HN 0.491 nan 8.290 nan 0.000 0.533 310 V N 1.054 120.908 119.914 -0.100 0.000 2.495 310 V HA 0.485 4.608 4.120 0.005 0.000 0.298 310 V C -0.022 175.997 176.094 -0.126 0.000 1.031 310 V CA -1.123 61.116 62.300 -0.101 0.000 0.871 310 V CB 1.928 33.627 31.823 -0.206 0.000 0.988 310 V HN 0.243 nan 8.190 nan 0.000 0.432 311 Q N 4.724 124.511 119.800 -0.021 0.000 2.369 311 Q HA 0.413 4.756 4.340 0.005 0.000 0.247 311 Q C -0.665 175.406 176.000 0.118 0.000 1.083 311 Q CA 0.124 55.945 55.803 0.031 0.000 0.905 311 Q CB 0.962 29.761 28.738 0.102 0.000 1.305 311 Q HN 0.576 nan 8.270 nan 0.000 0.465 312 L N 1.811 123.042 121.223 0.013 0.000 2.334 312 L HA 0.443 4.785 4.340 0.005 0.000 0.277 312 L C 0.506 177.474 176.870 0.164 0.000 1.075 312 L CA -0.473 54.438 54.840 0.119 0.000 0.804 312 L CB 0.886 42.925 42.059 -0.033 0.000 1.174 312 L HN 0.277 nan 8.230 nan 0.000 0.438 313 K N 2.823 123.354 120.400 0.219 0.000 2.164 313 K HA 0.255 4.578 4.320 0.005 0.000 0.258 313 K C -0.380 176.270 176.600 0.082 0.000 0.951 313 K CA -0.846 55.446 56.287 0.007 0.000 0.844 313 K CB 1.546 33.813 32.500 -0.388 0.000 1.099 313 K HN 0.441 nan 8.250 nan 0.000 0.435 314 K N 1.974 122.397 120.400 0.038 0.000 2.530 314 K HA -0.098 4.225 4.320 0.005 0.000 0.280 314 K C 0.565 177.211 176.600 0.078 0.000 1.004 314 K CA 1.730 58.048 56.287 0.051 0.000 1.071 314 K CB -0.083 32.433 32.500 0.026 0.000 0.876 314 K HN 0.862 nan 8.250 nan 0.000 0.487 315 G N 3.087 111.948 108.800 0.102 0.000 2.258 315 G HA2 -0.219 3.744 3.960 0.005 0.000 0.233 315 G HA3 -0.219 3.744 3.960 0.005 0.000 0.233 315 G C -0.335 174.681 174.900 0.195 0.000 1.006 315 G CA 0.150 45.323 45.100 0.122 0.000 0.620 315 G HN 0.729 nan 8.290 nan 0.000 0.511 316 D N 1.619 122.186 120.400 0.279 0.000 2.414 316 D HA 0.418 5.060 4.640 0.005 0.000 0.242 316 D C 0.811 177.343 176.300 0.386 0.000 1.129 316 D CA 0.518 54.784 54.000 0.444 0.000 0.885 316 D CB 0.569 41.816 40.800 0.746 0.000 1.198 316 D HN 0.503 nan 8.370 nan 0.000 0.437 317 Q N 0.871 120.881 119.800 0.350 0.000 2.230 317 Q HA 0.592 4.935 4.340 0.005 0.000 0.253 317 Q C -0.401 175.790 176.000 0.318 0.000 0.919 317 Q CA -0.579 55.368 55.803 0.240 0.000 0.908 317 Q CB 2.448 31.249 28.738 0.105 0.000 1.245 317 Q HN 0.452 nan 8.270 nan 0.000 0.437 318 I N 3.059 123.770 120.570 0.235 0.000 2.478 318 I HA 0.240 4.413 4.170 0.005 0.000 0.287 318 I C -1.610 174.540 176.117 0.055 0.000 1.042 318 I CA -1.085 60.352 61.300 0.228 0.000 1.067 318 I CB 1.158 39.266 38.000 0.180 0.000 1.233 318 I HN 0.486 nan 8.210 nan 0.000 0.431 319 L N 8.483 129.756 121.223 0.083 0.000 2.319 319 L HA 0.423 4.766 4.340 0.005 0.000 0.280 319 L C -1.113 175.750 176.870 -0.011 0.000 1.099 319 L CA 0.221 55.070 54.840 0.014 0.000 0.828 319 L CB 0.859 42.963 42.059 0.075 0.000 1.150 319 L HN 0.542 nan 8.230 nan 0.000 0.442 320 L N 7.577 128.759 121.223 -0.068 0.000 2.502 320 L HA 0.384 4.726 4.340 0.005 0.000 0.247 320 L C -2.143 174.773 176.870 0.076 0.000 1.180 320 L CA -1.748 53.020 54.840 -0.119 0.000 0.956 320 L CB 0.757 42.462 42.059 -0.589 0.000 1.282 320 L HN 0.492 nan 8.230 nan 0.000 0.470 321 P HA -0.034 nan 4.420 nan 0.000 0.254 321 P C 0.306 177.580 177.300 -0.043 0.000 1.186 321 P CA 0.264 63.353 63.100 -0.020 0.000 0.868 321 P CB 0.599 32.327 31.700 0.047 0.000 0.856 322 Q N 2.620 122.392 119.800 -0.046 0.000 2.181 322 Q HA -0.190 4.153 4.340 0.005 0.000 0.205 322 Q C 1.909 177.822 176.000 -0.145 0.000 0.980 322 Q CA 1.544 57.309 55.803 -0.064 0.000 0.862 322 Q CB -0.518 28.148 28.738 -0.119 0.000 0.905 322 Q HN 0.523 nan 8.270 nan 0.000 0.429 323 M N -0.295 119.153 119.600 -0.253 0.000 2.149 323 M HA -0.194 4.289 4.480 0.005 0.000 0.261 323 M C 1.449 177.618 176.300 -0.217 0.000 1.064 323 M CA 1.491 56.606 55.300 -0.308 0.000 1.102 323 M CB 0.001 32.290 32.600 -0.518 0.000 1.369 323 M HN 0.292 nan 8.290 nan 0.000 0.408 324 L N -0.592 120.536 121.223 -0.159 0.000 2.093 324 L HA -0.166 4.177 4.340 0.005 0.000 0.208 324 L C 2.450 179.268 176.870 -0.086 0.000 1.085 324 L CA 0.932 55.714 54.840 -0.097 0.000 0.755 324 L CB -0.742 41.284 42.059 -0.056 0.000 0.904 324 L HN 0.318 nan 8.230 nan 0.000 0.435 325 S N 0.530 116.185 115.700 -0.075 0.000 2.369 325 S HA -0.223 4.250 4.470 0.005 0.000 0.225 325 S C 1.926 176.492 174.600 -0.056 0.000 1.043 325 S CA 1.690 59.851 58.200 -0.065 0.000 1.074 325 S CB -0.830 62.336 63.200 -0.057 0.000 0.962 325 S HN 0.624 nan 8.310 nan 0.000 0.433 326 G N 0.294 109.068 108.800 -0.044 0.000 2.598 326 G HA2 0.067 4.029 3.960 0.005 0.000 0.215 326 G HA3 0.067 4.029 3.960 0.005 0.000 0.215 326 G C 1.074 175.930 174.900 -0.073 0.000 1.131 326 G CA 0.186 45.269 45.100 -0.029 0.000 0.785 326 G HN 0.454 nan 8.290 nan 0.000 0.539 327 L N -0.027 121.139 121.223 -0.094 0.000 2.585 327 L HA 0.202 4.545 4.340 0.005 0.000 0.226 327 L C 0.505 177.329 176.870 -0.076 0.000 1.113 327 L CA -0.322 54.458 54.840 -0.101 0.000 0.876 327 L CB 0.235 42.226 42.059 -0.114 0.000 1.072 327 L HN 0.006 nan 8.230 nan 0.000 0.468 328 D N 1.554 121.911 120.400 -0.071 0.000 2.371 328 D HA -0.066 4.577 4.640 0.005 0.000 0.256 328 D C 1.261 177.526 176.300 -0.057 0.000 1.193 328 D CA 0.014 53.974 54.000 -0.066 0.000 0.881 328 D CB 1.150 41.908 40.800 -0.070 0.000 1.143 328 D HN 0.366 nan 8.370 nan 0.000 0.473 329 E N 3.393 123.561 120.200 -0.053 0.000 2.333 329 E HA -0.197 4.156 4.350 0.005 0.000 0.198 329 E C 1.143 177.716 176.600 -0.045 0.000 1.007 329 E CA 0.653 57.024 56.400 -0.048 0.000 0.845 329 E CB -0.032 29.642 29.700 -0.044 0.000 0.766 329 E HN 0.436 nan 8.360 nan 0.000 0.507 330 R N 0.454 120.925 120.500 -0.047 0.000 2.280 330 R HA 0.015 4.358 4.340 0.005 0.000 0.207 330 R C 1.586 177.862 176.300 -0.040 0.000 1.043 330 R CA 1.121 57.195 56.100 -0.043 0.000 1.006 330 R CB 0.074 30.345 30.300 -0.048 0.000 0.885 330 R HN 0.359 nan 8.270 nan 0.000 0.467 331 E N -0.475 119.699 120.200 -0.043 0.000 2.330 331 E HA 0.118 4.471 4.350 0.005 0.000 0.200 331 E C -0.193 176.388 176.600 -0.032 0.000 0.922 331 E CA 0.188 56.566 56.400 -0.038 0.000 0.935 331 E CB 0.614 30.289 29.700 -0.042 0.000 0.917 331 E HN 0.171 nan 8.360 nan 0.000 0.491 332 N N 0.623 119.301 118.700 -0.037 0.000 2.500 332 N HA 0.288 5.031 4.740 0.005 0.000 0.291 332 N C -1.143 174.339 175.510 -0.046 0.000 1.092 332 N CA -0.184 52.844 53.050 -0.036 0.000 0.890 332 N CB 2.039 40.506 38.487 -0.034 0.000 1.466 332 N HN -0.018 nan 8.380 nan 0.000 0.507 333 A N 0.540 123.331 122.820 -0.049 0.000 2.498 333 A HA 0.232 4.555 4.320 0.005 0.000 0.239 333 A C 0.818 178.347 177.584 -0.092 0.000 1.068 333 A CA 0.017 52.014 52.037 -0.066 0.000 0.766 333 A CB -0.218 18.742 19.000 -0.066 0.000 1.003 333 A HN 0.972 nan 8.150 nan 0.000 0.497 334 C N 2.004 121.235 119.300 -0.115 0.000 3.899 334 C HA -0.109 4.353 4.460 0.005 0.000 0.297 334 C C -0.176 174.784 174.990 -0.050 0.000 1.371 334 C CA -0.042 58.878 59.018 -0.163 0.000 2.088 334 C CB -2.469 25.002 27.740 -0.449 0.000 1.346 334 C HN 0.894 nan 8.230 nan 0.000 0.658 335 P HA -0.224 nan 4.420 nan 0.000 0.217 335 P C 1.438 178.703 177.300 -0.059 0.000 1.151 335 P CA 1.845 64.915 63.100 -0.050 0.000 0.849 335 P CB -0.042 31.623 31.700 -0.059 0.000 0.787 336 M N -1.860 117.740 119.600 0.001 0.000 2.562 336 M HA 0.009 4.492 4.480 0.005 0.000 0.257 336 M C 0.461 176.727 176.300 -0.057 0.000 1.099 336 M CA 0.679 55.948 55.300 -0.052 0.000 1.099 336 M CB -1.748 30.843 32.600 -0.015 0.000 1.427 336 M HN 0.027 nan 8.290 nan 0.000 0.489 337 H N -0.251 118.747 119.070 -0.120 0.000 2.580 337 H HA 0.325 4.883 4.556 0.005 0.000 0.322 337 H C -0.387 174.846 175.328 -0.157 0.000 1.082 337 H CA -0.362 55.630 56.048 -0.094 0.000 1.383 337 H CB 0.814 30.550 29.762 -0.044 0.000 1.450 337 H HN -0.191 nan 8.280 nan 0.000 0.505 338 V N 3.773 123.620 119.914 -0.112 0.000 2.385 338 V HA 0.104 4.227 4.120 0.005 0.000 0.269 338 V C 0.029 176.065 176.094 -0.097 0.000 1.043 338 V CA -0.223 61.915 62.300 -0.270 0.000 0.906 338 V CB 0.823 32.212 31.823 -0.725 0.000 0.995 338 V HN 0.759 nan 8.190 nan 0.000 0.467 339 D N 4.296 124.643 120.400 -0.088 0.000 2.389 339 D HA 0.334 4.977 4.640 0.005 0.000 0.256 339 D C 0.480 176.822 176.300 0.070 0.000 1.239 339 D CA -0.573 53.413 54.000 -0.023 0.000 0.925 339 D CB 0.901 41.721 40.800 0.033 0.000 1.145 339 D HN 0.233 nan 8.370 nan 0.000 0.542 340 F N 1.240 121.288 119.950 0.163 0.000 2.449 340 F HA -0.045 4.485 4.527 0.004 0.000 0.299 340 F C 2.195 178.049 175.800 0.090 0.000 1.092 340 F CA 0.509 58.587 58.000 0.130 0.000 1.446 340 F CB -0.438 38.655 39.000 0.156 0.000 1.084 340 F HN 0.272 nan 8.300 nan 0.000 0.567 341 S N -1.170 114.663 115.700 0.221 0.000 2.540 341 S HA 0.063 4.536 4.470 0.005 0.000 0.218 341 S C 0.878 175.539 174.600 0.101 0.000 0.977 341 S CA -0.549 57.736 58.200 0.141 0.000 0.918 341 S CB -0.168 63.093 63.200 0.101 0.000 0.806 341 S HN 0.191 nan 8.310 nan 0.000 0.496 342 R N 1.952 122.512 120.500 0.101 0.000 2.486 342 R HA -0.088 4.255 4.340 0.005 0.000 0.304 342 R C 1.370 177.709 176.300 0.064 0.000 0.913 342 R CA 0.304 56.444 56.100 0.067 0.000 1.124 342 R CB 0.227 30.565 30.300 0.063 0.000 0.891 342 R HN 0.162 nan 8.270 nan 0.000 0.410 343 Q N 2.758 122.584 119.800 0.043 0.000 2.030 343 Q HA -0.098 4.245 4.340 0.005 0.000 0.204 343 Q C -0.216 175.807 176.000 0.038 0.000 0.986 343 Q CA 1.818 57.644 55.803 0.038 0.000 0.843 343 Q CB 0.337 29.090 28.738 0.024 0.000 0.904 343 Q HN 0.317 nan 8.270 nan 0.000 0.420 344 K N 0.404 120.822 120.400 0.030 0.000 2.527 344 K HA 0.299 4.622 4.320 0.005 0.000 0.240 344 K C -1.493 175.126 176.600 0.031 0.000 0.989 344 K CA -0.447 55.855 56.287 0.026 0.000 0.985 344 K CB 1.563 34.070 32.500 0.012 0.000 1.221 344 K HN -0.090 nan 8.250 nan 0.000 0.458 345 V N 2.119 122.064 119.914 0.052 0.000 2.352 345 V HA 0.078 4.201 4.120 0.005 0.000 0.253 345 V C 0.720 176.848 176.094 0.058 0.000 1.083 345 V CA -0.235 62.114 62.300 0.081 0.000 0.993 345 V CB 0.543 32.448 31.823 0.138 0.000 1.111 345 V HN 0.577 nan 8.190 nan 0.000 0.490 346 S N 5.071 120.788 115.700 0.028 0.000 2.508 346 S HA 0.742 5.215 4.470 0.005 0.000 0.284 346 S C -0.558 174.055 174.600 0.021 0.000 1.192 346 S CA -0.375 57.806 58.200 -0.032 0.000 1.070 346 S CB 0.430 63.613 63.200 -0.029 0.000 1.004 346 S HN 1.136 nan 8.310 nan 0.000 0.493 347 H N -0.243 118.811 119.070 -0.027 0.000 2.921 347 H HA 0.417 4.975 4.556 0.005 0.000 0.287 347 H C -0.674 174.631 175.328 -0.038 0.000 1.434 347 H CA -0.309 55.704 56.048 -0.058 0.000 1.178 347 H CB 0.491 30.202 29.762 -0.085 0.000 1.836 347 H HN 0.367 nan 8.280 nan 0.000 0.495 348 T N -2.316 112.343 114.554 0.175 0.000 3.533 348 T HA 0.194 4.547 4.350 0.005 0.000 0.275 348 T C 0.422 175.172 174.700 0.084 0.000 1.000 348 T CA 0.145 62.318 62.100 0.122 0.000 1.015 348 T CB -0.359 68.519 68.868 0.016 0.000 1.153 348 T HN 0.615 nan 8.240 nan 0.000 0.504 349 T N 1.313 115.950 114.554 0.138 0.000 2.759 349 T HA 0.021 4.374 4.350 0.005 0.000 0.269 349 T C 0.469 174.937 174.700 -0.386 0.000 1.042 349 T CA 1.328 63.233 62.100 -0.324 0.000 1.140 349 T CB -0.386 68.001 68.868 -0.801 0.000 0.864 349 T HN 0.513 nan 8.240 nan 0.000 0.455 350 F N 1.210 121.149 119.950 -0.019 0.000 2.660 350 F HA 0.471 5.001 4.527 0.004 0.000 0.297 350 F C 1.566 177.321 175.800 -0.076 0.000 1.132 350 F CA -0.196 57.764 58.000 -0.067 0.000 1.372 350 F CB -0.449 38.513 39.000 -0.064 0.000 1.003 350 F HN 0.301 nan 8.300 nan 0.000 0.524 351 G N 0.036 108.848 108.800 0.021 0.000 2.660 351 G HA2 -0.083 3.879 3.960 0.005 0.000 0.247 351 G HA3 -0.083 3.879 3.960 0.005 0.000 0.247 351 G C -1.518 173.363 174.900 -0.031 0.000 1.328 351 G CA -0.785 44.245 45.100 -0.117 0.000 0.884 351 G HN 0.498 nan 8.290 nan 0.000 0.531 352 H N -0.926 117.975 119.070 -0.283 0.000 3.086 352 H HA 0.680 5.238 4.556 0.004 0.000 0.353 352 H C 0.496 175.808 175.328 -0.027 0.000 1.134 352 H CA 1.817 57.800 56.048 -0.108 0.000 1.248 352 H CB 1.310 31.053 29.762 -0.032 0.000 1.878 352 H HN 2.635 nan 8.280 nan 0.000 0.527 353 G N 1.202 109.803 108.800 -0.333 0.000 2.512 353 G HA2 -0.224 3.739 3.960 0.005 0.000 0.210 353 G HA3 -0.224 3.739 3.960 0.005 0.000 0.210 353 G C 1.038 175.921 174.900 -0.028 0.000 1.295 353 G CA 0.347 45.401 45.100 -0.075 0.000 0.934 353 G HN 1.312 nan 8.290 nan 0.000 0.554 354 S N -0.901 114.821 115.700 0.036 0.000 2.500 354 S HA -0.043 4.430 4.470 0.005 0.000 0.239 354 S C 1.251 175.716 174.600 -0.225 0.000 0.989 354 S CA 1.852 59.989 58.200 -0.105 0.000 0.951 354 S CB -0.254 62.827 63.200 -0.199 0.000 0.759 354 S HN 0.733 nan 8.310 nan 0.000 0.523 355 H N 0.564 119.627 119.070 -0.011 0.000 2.505 355 H HA 0.387 4.945 4.556 0.004 0.000 0.289 355 H C -0.009 175.298 175.328 -0.034 0.000 1.052 355 H CA -0.431 55.611 56.048 -0.009 0.000 1.156 355 H CB -0.010 29.761 29.762 0.015 0.000 1.507 355 H HN 0.362 nan 8.280 nan 0.000 0.548 356 L N 1.520 122.750 121.223 0.011 0.000 2.640 356 L HA -0.132 4.211 4.340 0.005 0.000 0.280 356 L C 0.974 177.842 176.870 -0.003 0.000 1.229 356 L CA 0.075 54.910 54.840 -0.008 0.000 0.919 356 L CB 0.194 42.228 42.059 -0.042 0.000 1.168 356 L HN 0.363 nan 8.230 nan 0.000 0.496 357 C N 5.267 124.579 119.300 0.020 0.000 2.334 357 C HA -0.063 4.400 4.460 0.005 0.000 0.395 357 C C 1.836 176.763 174.990 -0.104 0.000 1.507 357 C CA -0.248 58.771 59.018 0.001 0.000 1.494 357 C CB -0.858 26.933 27.740 0.086 0.000 2.509 357 C HN 0.791 nan 8.230 nan 0.000 0.599 358 L N 5.014 126.207 121.223 -0.051 0.000 2.341 358 L HA 0.153 4.496 4.340 0.005 0.000 0.214 358 L C 2.385 179.204 176.870 -0.085 0.000 1.115 358 L CA 1.298 56.108 54.840 -0.049 0.000 0.820 358 L CB -0.407 41.659 42.059 0.012 0.000 0.944 358 L HN 0.953 nan 8.230 nan 0.000 0.452 359 G N -0.538 108.203 108.800 -0.097 0.000 3.284 359 G HA2 -0.019 3.944 3.960 0.005 0.000 0.236 359 G HA3 -0.019 3.944 3.960 0.005 0.000 0.236 359 G C 1.313 176.072 174.900 -0.235 0.000 1.158 359 G CA -0.123 44.922 45.100 -0.092 0.000 0.774 359 G HN 0.496 nan 8.290 nan 0.000 0.545 360 Q N -0.195 119.267 119.800 -0.563 0.000 2.170 360 Q HA -0.184 4.159 4.340 0.005 0.000 0.203 360 Q C 1.736 177.288 176.000 -0.746 0.000 0.976 360 Q CA 1.259 56.385 55.803 -1.129 0.000 0.858 360 Q CB -0.525 27.041 28.738 -1.953 0.000 0.907 360 Q HN 0.475 nan 8.270 nan 0.000 0.433 361 H N 0.571 119.470 119.070 -0.284 0.000 2.357 361 H HA -0.061 4.498 4.556 0.005 0.000 0.301 361 H C 2.192 177.477 175.328 -0.072 0.000 1.082 361 H CA 1.397 57.355 56.048 -0.151 0.000 1.342 361 H CB -0.199 29.499 29.762 -0.106 0.000 1.389 361 H HN 0.274 nan 8.280 nan 0.000 0.511 362 L N 1.197 122.439 121.223 0.031 0.000 2.093 362 L HA -0.001 4.342 4.340 0.005 0.000 0.208 362 L C 2.517 179.415 176.870 0.046 0.000 1.085 362 L CA 1.656 56.521 54.840 0.041 0.000 0.755 362 L CB -0.745 41.336 42.059 0.036 0.000 0.904 362 L HN 0.162 nan 8.230 nan 0.000 0.435 363 A N -0.278 122.558 122.820 0.026 0.000 1.877 363 A HA -0.195 4.128 4.320 0.005 0.000 0.216 363 A C 2.429 180.104 177.584 0.152 0.000 1.186 363 A CA 1.687 53.789 52.037 0.108 0.000 0.620 363 A CB -0.547 18.567 19.000 0.190 0.000 0.822 363 A HN 0.486 nan 8.150 nan 0.000 0.443 364 R N -1.143 119.421 120.500 0.106 0.000 2.081 364 R HA -0.155 4.188 4.340 0.005 0.000 0.235 364 R C 2.462 178.855 176.300 0.154 0.000 1.131 364 R CA 1.626 57.810 56.100 0.141 0.000 0.960 364 R CB -0.302 30.056 30.300 0.096 0.000 0.856 364 R HN 0.461 nan 8.270 nan 0.000 0.436 365 R N 1.667 122.246 120.500 0.133 0.000 2.073 365 R HA -0.139 4.204 4.340 0.005 0.000 0.234 365 R C 1.740 178.169 176.300 0.216 0.000 1.134 365 R CA 1.861 58.050 56.100 0.147 0.000 0.952 365 R CB -0.286 30.083 30.300 0.115 0.000 0.850 365 R HN 0.293 nan 8.270 nan 0.000 0.433 366 E N -0.323 120.019 120.200 0.237 0.000 2.153 366 E HA -0.169 4.184 4.350 0.005 0.000 0.194 366 E C 2.023 178.913 176.600 0.485 0.000 0.988 366 E CA 1.511 58.157 56.400 0.409 0.000 0.811 366 E CB -0.167 29.676 29.700 0.238 0.000 0.746 366 E HN 0.407 nan 8.360 nan 0.000 0.466 367 I N 0.790 121.572 120.570 0.353 0.000 2.233 367 I HA -0.242 3.931 4.170 0.005 0.000 0.243 367 I C 2.362 178.627 176.117 0.246 0.000 1.093 367 I CA 0.950 62.454 61.300 0.340 0.000 1.380 367 I CB -0.178 38.038 38.000 0.360 0.000 1.067 367 I HN 0.071 nan 8.210 nan 0.000 0.413 368 I N 0.146 120.838 120.570 0.203 0.000 2.179 368 I HA -0.266 3.906 4.170 0.005 0.000 0.242 368 I C 2.551 178.750 176.117 0.136 0.000 1.088 368 I CA 1.270 62.656 61.300 0.143 0.000 1.357 368 I CB -0.380 37.693 38.000 0.121 0.000 1.051 368 I HN 0.022 nan 8.210 nan 0.000 0.409 369 V N 0.463 120.483 119.914 0.175 0.000 2.392 369 V HA -0.298 3.825 4.120 0.005 0.000 0.249 369 V C 2.492 178.654 176.094 0.113 0.000 1.059 369 V CA 2.447 64.842 62.300 0.159 0.000 1.051 369 V CB -0.918 31.046 31.823 0.236 0.000 0.658 369 V HN 0.483 nan 8.190 nan 0.000 0.455 370 T N 0.253 114.887 114.554 0.134 0.000 2.708 370 T HA -0.104 4.249 4.350 0.005 0.000 0.266 370 T C 1.878 176.606 174.700 0.046 0.000 1.037 370 T CA 1.504 63.639 62.100 0.059 0.000 1.146 370 T CB -0.258 68.710 68.868 0.166 0.000 0.865 370 T HN 0.292 nan 8.240 nan 0.000 0.435 371 L N 0.492 121.755 121.223 0.065 0.000 2.017 371 L HA -0.138 4.205 4.340 0.005 0.000 0.208 371 L C 2.677 179.590 176.870 0.072 0.000 1.073 371 L CA 1.554 56.423 54.840 0.048 0.000 0.745 371 L CB -0.499 41.583 42.059 0.037 0.000 0.894 371 L HN 0.256 nan 8.230 nan 0.000 0.432 372 K N -0.304 120.135 120.400 0.064 0.000 2.002 372 K HA -0.153 4.170 4.320 0.005 0.000 0.209 372 K C 1.995 178.623 176.600 0.047 0.000 1.048 372 K CA 1.144 57.463 56.287 0.053 0.000 0.930 372 K CB -0.122 32.408 32.500 0.050 0.000 0.714 372 K HN 0.206 nan 8.250 nan 0.000 0.438 373 E N -0.040 120.187 120.200 0.044 0.000 2.274 373 E HA -0.156 4.197 4.350 0.005 0.000 0.194 373 E C 1.569 178.159 176.600 -0.018 0.000 0.996 373 E CA 0.585 56.991 56.400 0.010 0.000 0.840 373 E CB -0.045 29.659 29.700 0.007 0.000 0.772 373 E HN 0.481 nan 8.360 nan 0.000 0.491 374 W N 0.993 122.183 121.300 -0.183 0.000 2.480 374 W HA 0.010 4.673 4.660 0.004 0.000 0.299 374 W C 1.624 178.029 176.519 -0.189 0.000 1.187 374 W CA 0.550 57.734 57.345 -0.269 0.000 1.347 374 W CB -0.268 28.962 29.460 -0.383 0.000 1.121 374 W HN -0.015 nan 8.180 nan 0.000 0.533 375 L N 0.689 122.030 121.223 0.197 0.000 2.362 375 L HA -0.169 4.173 4.340 0.005 0.000 0.219 375 L C 2.114 178.995 176.870 0.020 0.000 1.134 375 L CA 1.304 56.233 54.840 0.147 0.000 0.807 375 L CB -0.853 41.290 42.059 0.140 0.000 0.927 375 L HN -0.145 nan 8.230 nan 0.000 0.447 376 T N -1.112 113.427 114.554 -0.024 0.000 3.043 376 T HA -0.007 4.345 4.350 0.005 0.000 0.263 376 T C 1.945 176.586 174.700 -0.099 0.000 1.094 376 T CA 0.851 62.924 62.100 -0.046 0.000 1.127 376 T CB 0.118 68.967 68.868 -0.032 0.000 0.905 376 T HN 0.344 nan 8.240 nan 0.000 0.490 377 R N -0.119 120.266 120.500 -0.192 0.000 2.257 377 R HA 0.391 4.734 4.340 0.005 0.000 0.195 377 R C 0.328 176.420 176.300 -0.348 0.000 0.921 377 R CA 0.395 56.342 56.100 -0.256 0.000 1.069 377 R CB 0.753 30.860 30.300 -0.322 0.000 1.115 377 R HN 0.266 nan 8.270 nan 0.000 0.571 378 I N 2.863 123.131 120.570 -0.503 0.000 2.925 378 I HA 0.195 4.367 4.170 0.005 0.000 0.296 378 I C -1.934 174.104 176.117 -0.131 0.000 1.413 378 I CA -1.556 59.408 61.300 -0.561 0.000 0.932 378 I CB 1.849 39.063 38.000 -1.309 0.000 1.873 378 I HN -0.125 nan 8.210 nan 0.000 0.619 379 P HA -0.127 nan 4.420 nan 0.000 0.220 379 P C 0.156 177.514 177.300 0.097 0.000 1.148 379 P CA 1.309 64.459 63.100 0.083 0.000 0.803 379 P CB 0.330 32.042 31.700 0.020 0.000 0.782 380 D N -0.577 119.879 120.400 0.092 0.000 2.492 380 D HA 0.475 5.118 4.640 0.005 0.000 0.248 380 D C -0.915 175.500 176.300 0.192 0.000 1.101 380 D CA -0.726 53.299 54.000 0.041 0.000 0.840 380 D CB 0.815 41.633 40.800 0.030 0.000 1.209 380 D HN -0.079 nan 8.370 nan 0.000 0.524 381 F N 0.453 120.437 119.950 0.058 0.000 2.693 381 F HA 0.777 5.307 4.527 0.005 0.000 0.309 381 F C -1.206 174.659 175.800 0.109 0.000 1.129 381 F CA -0.879 57.214 58.000 0.155 0.000 0.948 381 F CB 1.215 40.299 39.000 0.140 0.000 1.315 381 F HN 0.136 nan 8.300 nan 0.000 0.447 382 S N 1.228 117.119 115.700 0.319 0.000 2.697 382 S HA 0.665 5.137 4.470 0.005 0.000 0.289 382 S C -1.072 173.655 174.600 0.211 0.000 1.149 382 S CA -0.802 57.486 58.200 0.146 0.000 0.850 382 S CB 1.821 65.067 63.200 0.076 0.000 1.151 382 S HN 0.572 nan 8.310 nan 0.000 0.491 383 I N 1.901 122.536 120.570 0.108 0.000 2.638 383 I HA 0.278 4.451 4.170 0.005 0.000 0.286 383 I C 0.980 177.149 176.117 0.087 0.000 1.088 383 I CA -0.457 60.901 61.300 0.097 0.000 1.397 383 I CB 0.352 38.378 38.000 0.043 0.000 1.414 383 I HN 0.801 nan 8.210 nan 0.000 0.566 384 A N 7.937 130.807 122.820 0.083 0.000 2.511 384 A HA 0.299 4.622 4.320 0.005 0.000 0.242 384 A C -2.126 175.480 177.584 0.037 0.000 1.069 384 A CA -0.790 51.282 52.037 0.057 0.000 0.763 384 A CB -0.896 18.132 19.000 0.047 0.000 1.001 384 A HN 0.498 nan 8.150 nan 0.000 0.498 385 P HA 0.178 nan 4.420 nan 0.000 0.261 385 P C 1.214 178.522 177.300 0.014 0.000 1.173 385 P CA 1.961 65.072 63.100 0.017 0.000 0.760 385 P CB 0.514 32.222 31.700 0.013 0.000 0.783 386 G N 2.424 111.230 108.800 0.011 0.000 2.347 386 G HA2 -0.304 3.659 3.960 0.005 0.000 0.247 386 G HA3 -0.304 3.659 3.960 0.005 0.000 0.247 386 G C 0.535 175.441 174.900 0.010 0.000 1.037 386 G CA 0.066 45.171 45.100 0.009 0.000 0.622 386 G HN 0.881 nan 8.290 nan 0.000 0.521 387 A N 0.526 123.355 122.820 0.015 0.000 2.580 387 A HA 0.426 4.749 4.320 0.005 0.000 0.244 387 A C 0.629 178.219 177.584 0.011 0.000 1.045 387 A CA 1.008 53.056 52.037 0.017 0.000 0.761 387 A CB 0.164 19.181 19.000 0.027 0.000 0.962 387 A HN 0.412 nan 8.150 nan 0.000 0.512 388 Q N 2.787 122.592 119.800 0.009 0.000 2.563 388 Q HA 0.249 4.592 4.340 0.005 0.000 0.232 388 Q C -0.162 175.836 176.000 -0.003 0.000 1.106 388 Q CA -0.425 55.378 55.803 -0.000 0.000 0.913 388 Q CB 0.508 29.247 28.738 0.001 0.000 1.175 388 Q HN 0.650 nan 8.270 nan 0.000 0.540 389 I N 2.163 122.726 120.570 -0.011 0.000 2.752 389 I HA -0.107 4.065 4.170 0.005 0.000 0.289 389 I C 0.657 176.745 176.117 -0.048 0.000 1.197 389 I CA 0.647 61.939 61.300 -0.013 0.000 1.432 389 I CB -0.173 37.819 38.000 -0.013 0.000 1.359 389 I HN 0.350 nan 8.210 nan 0.000 0.571 390 Q N 5.926 125.733 119.800 0.012 0.000 2.316 390 Q HA 0.455 4.797 4.340 0.005 0.000 0.264 390 Q C -0.771 175.334 176.000 0.174 0.000 0.987 390 Q CA -0.523 55.304 55.803 0.040 0.000 0.852 390 Q CB 2.194 30.966 28.738 0.057 0.000 1.287 390 Q HN 0.573 nan 8.270 nan 0.000 0.448 391 H N 0.561 119.696 119.070 0.108 0.000 2.544 391 H HA 0.514 5.073 4.556 0.004 0.000 0.342 391 H C -0.787 174.626 175.328 0.142 0.000 1.185 391 H CA -1.025 55.114 56.048 0.153 0.000 1.264 391 H CB 1.503 31.426 29.762 0.268 0.000 1.607 391 H HN 0.305 nan 8.280 nan 0.000 0.550 392 K N 0.577 121.142 120.400 0.275 0.000 2.422 392 K HA 0.375 4.698 4.320 0.005 0.000 0.251 392 K C -1.113 175.631 176.600 0.240 0.000 0.933 392 K CA -0.618 55.793 56.287 0.208 0.000 0.798 392 K CB 2.666 35.252 32.500 0.143 0.000 1.238 392 K HN 0.308 nan 8.250 nan 0.000 0.428 393 S N 0.469 116.316 115.700 0.244 0.000 2.578 393 S HA 0.913 5.386 4.470 0.005 0.000 0.301 393 S C -0.477 174.280 174.600 0.262 0.000 1.091 393 S CA 0.017 58.395 58.200 0.297 0.000 1.032 393 S CB 1.285 64.692 63.200 0.345 0.000 1.064 393 S HN 0.811 nan 8.310 nan 0.000 0.508 394 G N 2.212 111.140 108.800 0.213 0.000 2.356 394 G HA2 0.207 4.169 3.960 0.005 0.000 0.281 394 G HA3 0.207 4.169 3.960 0.005 0.000 0.281 394 G C 0.205 175.093 174.900 -0.021 0.000 1.246 394 G CA -0.452 44.714 45.100 0.110 0.000 0.889 394 G HN 0.541 nan 8.290 nan 0.000 0.486 395 I N -0.142 120.391 120.570 -0.061 0.000 2.335 395 I HA -0.011 4.162 4.170 0.005 0.000 0.251 395 I C 0.808 176.841 176.117 -0.139 0.000 1.129 395 I CA 1.557 62.721 61.300 -0.227 0.000 1.402 395 I CB -0.720 37.009 38.000 -0.451 0.000 1.069 395 I HN 0.053 nan 8.210 nan 0.000 0.424 396 V N 0.560 120.452 119.914 -0.037 0.000 2.525 396 V HA 0.282 4.404 4.120 0.005 0.000 0.299 396 V C -0.009 176.115 176.094 0.051 0.000 1.034 396 V CA -0.582 61.711 62.300 -0.012 0.000 0.863 396 V CB 1.968 33.805 31.823 0.024 0.000 0.999 396 V HN 0.069 nan 8.190 nan 0.000 0.423 397 S N 2.387 118.126 115.700 0.064 0.000 2.646 397 S HA 0.912 5.384 4.470 0.005 0.000 0.276 397 S C 0.408 175.161 174.600 0.254 0.000 1.222 397 S CA 0.040 58.343 58.200 0.171 0.000 1.014 397 S CB 1.825 65.120 63.200 0.159 0.000 0.991 397 S HN 1.171 nan 8.310 nan 0.000 0.533 398 G N -0.261 108.637 108.800 0.163 0.000 2.682 398 G HA2 0.561 4.524 3.960 0.005 0.000 0.303 398 G HA3 0.561 4.524 3.960 0.005 0.000 0.303 398 G C -1.797 172.909 174.900 -0.324 0.000 1.341 398 G CA -0.521 44.475 45.100 -0.175 0.000 0.784 398 G HN 0.617 nan 8.290 nan 0.000 0.497 399 V N 0.744 120.395 119.914 -0.438 0.000 2.398 399 V HA 0.299 4.422 4.120 0.005 0.000 0.286 399 V C 1.192 177.255 176.094 -0.051 0.000 1.026 399 V CA -0.301 61.878 62.300 -0.201 0.000 0.868 399 V CB 1.435 33.086 31.823 -0.286 0.000 0.982 399 V HN 0.822 nan 8.190 nan 0.000 0.443 400 Q N 3.984 123.807 119.800 0.038 0.000 2.079 400 Q HA 0.149 4.491 4.340 0.005 0.000 0.200 400 Q C 0.517 176.537 176.000 0.032 0.000 0.974 400 Q CA 1.678 57.505 55.803 0.039 0.000 0.840 400 Q CB 0.185 28.959 28.738 0.059 0.000 0.898 400 Q HN 1.001 nan 8.270 nan 0.000 0.430 401 A N -0.810 122.035 122.820 0.042 0.000 2.594 401 A HA 0.564 4.887 4.320 0.005 0.000 0.296 401 A C -2.057 175.564 177.584 0.062 0.000 1.061 401 A CA -0.617 51.449 52.037 0.050 0.000 0.689 401 A CB 1.094 20.123 19.000 0.048 0.000 1.280 401 A HN 0.183 nan 8.150 nan 0.000 0.406 402 L N 3.026 124.303 121.223 0.089 0.000 2.481 402 L HA 0.498 4.841 4.340 0.005 0.000 0.255 402 L C -2.621 174.329 176.870 0.133 0.000 1.192 402 L CA -1.390 53.509 54.840 0.098 0.000 0.924 402 L CB 1.786 43.902 42.059 0.095 0.000 1.179 402 L HN 0.464 nan 8.230 nan 0.000 0.491 403 P HA 0.218 nan 4.420 nan 0.000 0.276 403 P C -0.973 176.415 177.300 0.146 0.000 1.253 403 P CA 0.054 63.224 63.100 0.117 0.000 0.766 403 P CB 0.993 32.738 31.700 0.074 0.000 0.845 404 L N 4.128 125.484 121.223 0.221 0.000 2.334 404 L HA 0.696 5.039 4.340 0.005 0.000 0.273 404 L C 0.596 177.651 176.870 0.307 0.000 1.013 404 L CA -1.185 53.852 54.840 0.329 0.000 0.816 404 L CB 2.130 44.472 42.059 0.471 0.000 1.278 404 L HN 0.232 nan 8.230 nan 0.000 0.431 405 V N -1.130 118.998 119.914 0.356 0.000 3.102 405 V HA 0.849 4.971 4.120 0.005 0.000 0.312 405 V C -1.546 174.825 176.094 0.462 0.000 1.135 405 V CA -0.588 61.800 62.300 0.146 0.000 1.022 405 V CB 1.878 33.727 31.823 0.044 0.000 1.056 405 V HN 1.012 nan 8.190 nan 0.000 0.436 406 W N 0.303 121.665 121.300 0.103 0.000 2.986 406 W HA 0.668 5.330 4.660 0.004 0.000 0.345 406 W C -2.004 174.547 176.519 0.052 0.000 1.191 406 W CA -0.522 56.883 57.345 0.099 0.000 1.170 406 W CB 0.707 30.257 29.460 0.151 0.000 1.438 406 W HN 0.707 nan 8.180 nan 0.000 0.567 407 D N 1.803 122.394 120.400 0.318 0.000 2.347 407 D HA 0.374 5.017 4.640 0.005 0.000 0.235 407 D C -1.509 174.933 176.300 0.237 0.000 1.149 407 D CA -2.414 51.686 54.000 0.166 0.000 0.850 407 D CB 1.939 42.808 40.800 0.116 0.000 1.061 407 D HN 0.067 nan 8.370 nan 0.000 0.487 408 P HA -0.148 nan 4.420 nan 0.000 0.218 408 P C 0.876 178.245 177.300 0.115 0.000 1.146 408 P CA 1.321 64.516 63.100 0.157 0.000 0.820 408 P CB 0.267 32.000 31.700 0.054 0.000 0.778 409 A N -0.649 122.221 122.820 0.083 0.000 2.015 409 A HA -0.129 4.193 4.320 0.005 0.000 0.219 409 A C 1.992 179.611 177.584 0.058 0.000 1.163 409 A CA 2.003 54.074 52.037 0.056 0.000 0.646 409 A CB -1.708 17.316 19.000 0.041 0.000 0.806 409 A HN 0.336 nan 8.150 nan 0.000 0.448 410 T N -1.657 112.948 114.554 0.084 0.000 3.169 410 T HA 0.172 4.525 4.350 0.005 0.000 0.250 410 T C 0.760 175.484 174.700 0.040 0.000 1.111 410 T CA 0.648 62.787 62.100 0.065 0.000 1.010 410 T CB -1.049 67.870 68.868 0.084 0.000 0.984 410 T HN 0.531 nan 8.240 nan 0.000 0.537 411 T N -0.827 113.750 114.554 0.040 0.000 2.923 411 T HA 0.706 5.059 4.350 0.005 0.000 0.281 411 T C -0.764 173.920 174.700 -0.026 0.000 0.995 411 T CA -0.952 61.137 62.100 -0.018 0.000 0.985 411 T CB 1.833 70.693 68.868 -0.014 0.000 1.114 411 T HN 0.148 nan 8.240 nan 0.000 0.548 412 K N -0.051 120.313 120.400 -0.059 0.000 2.565 412 K HA 0.645 4.967 4.320 0.005 0.000 0.249 412 K C -1.068 175.496 176.600 -0.060 0.000 0.958 412 K CA -0.524 55.736 56.287 -0.046 0.000 0.806 412 K CB 1.619 34.094 32.500 -0.041 0.000 1.194 412 K HN 0.940 nan 8.250 nan 0.000 0.434 413 A N 4.179 126.975 122.820 -0.041 0.000 2.310 413 A HA 0.543 4.866 4.320 0.005 0.000 0.300 413 A C -0.425 177.139 177.584 -0.034 0.000 1.269 413 A CA -0.431 51.582 52.037 -0.041 0.000 0.909 413 A CB 0.077 19.062 19.000 -0.025 0.000 1.144 413 A HN 0.468 nan 8.150 nan 0.000 0.540 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.123 4.120 0.005 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.029 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.032 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556