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 3p6u_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REXXXAYDFI 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 HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD 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 0.000 175.498 175.510 -0.020 0.000 1.280 10 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 10 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 11 L N 0.738 121.950 121.223 -0.018 0.000 2.292 11 L HA 0.817 5.165 4.340 0.012 0.000 0.284 11 L C 0.937 177.813 176.870 0.010 0.000 1.065 11 L CA -0.962 53.870 54.840 -0.014 0.000 0.806 11 L CB 1.389 43.436 42.059 -0.019 0.000 1.175 11 L HN 0.502 nan 8.230 nan 0.000 0.431 12 A N 5.681 128.517 122.820 0.028 0.000 2.425 12 A HA 0.485 4.812 4.320 0.012 0.000 0.249 12 A C -2.147 175.480 177.584 0.073 0.000 1.084 12 A CA -1.107 50.964 52.037 0.057 0.000 0.781 12 A CB -0.403 18.648 19.000 0.086 0.000 1.019 12 A HN 0.488 nan 8.150 nan 0.000 0.490 13 P HA 0.100 nan 4.420 nan 0.000 0.268 13 P C -0.376 176.939 177.300 0.025 0.000 1.204 13 P CA -0.304 62.814 63.100 0.029 0.000 0.768 13 P CB 0.488 32.196 31.700 0.014 0.000 0.842 14 L N 6.776 127.986 121.223 -0.022 0.000 2.615 14 L HA 0.145 4.493 4.340 0.012 0.000 0.271 14 L C -2.058 174.675 176.870 -0.230 0.000 1.183 14 L CA -1.179 53.573 54.840 -0.145 0.000 0.933 14 L CB -0.971 40.984 42.059 -0.174 0.000 1.199 14 L HN 0.293 nan 8.230 nan 0.000 0.487 15 P HA 0.123 nan 4.420 nan 0.000 0.268 15 P C -2.089 175.026 177.300 -0.308 0.000 1.205 15 P CA -0.939 61.991 63.100 -0.283 0.000 0.771 15 P CB 0.081 31.582 31.700 -0.331 0.000 0.858 16 P HA -0.178 nan 4.420 nan 0.000 0.225 16 P C 1.029 178.290 177.300 -0.065 0.000 1.148 16 P CA 1.434 64.487 63.100 -0.079 0.000 0.779 16 P CB -0.318 31.375 31.700 -0.011 0.000 0.780 17 H N -1.096 117.896 119.070 -0.130 0.000 2.548 17 H HA 0.119 4.682 4.556 0.012 0.000 0.268 17 H C 0.009 175.284 175.328 -0.088 0.000 0.975 17 H CA 0.105 56.107 56.048 -0.076 0.000 1.195 17 H CB -0.755 28.991 29.762 -0.026 0.000 1.397 17 H HN -0.102 nan 8.280 nan 0.000 0.572 18 V N 5.467 124.968 119.914 -0.687 0.000 2.364 18 V HA 0.218 4.346 4.120 0.012 0.000 0.272 18 V C -1.980 173.899 176.094 -0.358 0.000 1.036 18 V CA -1.618 60.295 62.300 -0.644 0.000 0.880 18 V CB 1.423 32.480 31.823 -1.276 0.000 0.991 18 V HN 0.243 nan 8.190 nan 0.000 0.460 19 P HA 0.244 nan 4.420 nan 0.000 0.275 19 P C 0.563 177.739 177.300 -0.205 0.000 1.227 19 P CA -0.251 62.754 63.100 -0.158 0.000 0.781 19 P CB 1.234 32.861 31.700 -0.120 0.000 0.906 20 E N 0.885 121.032 120.200 -0.087 0.000 2.204 20 E HA -0.221 4.137 4.350 0.012 0.000 0.195 20 E C 1.689 178.285 176.600 -0.007 0.000 0.990 20 E CA 0.989 57.362 56.400 -0.046 0.000 0.821 20 E CB -0.291 29.410 29.700 0.003 0.000 0.750 20 E HN 0.663 nan 8.360 nan 0.000 0.477 21 H N -0.000 119.090 119.070 0.033 0.000 2.546 21 H HA -0.009 4.554 4.556 0.012 0.000 0.277 21 H C 1.622 177.002 175.328 0.085 0.000 1.004 21 H CA 0.590 56.669 56.048 0.052 0.000 1.231 21 H CB -0.111 29.674 29.762 0.039 0.000 1.382 21 H HN 0.193 nan 8.280 nan 0.000 0.580 22 L N 1.482 122.538 121.223 -0.278 0.000 2.592 22 L HA 0.166 4.514 4.340 0.012 0.000 0.227 22 L C 0.186 177.119 176.870 0.105 0.000 1.127 22 L CA -0.249 54.558 54.840 -0.055 0.000 0.884 22 L CB 0.625 42.661 42.059 -0.037 0.000 1.065 22 L HN -0.009 nan 8.230 nan 0.000 0.457 23 V N 0.738 120.706 119.914 0.089 0.000 2.455 23 V HA 0.109 4.237 4.120 0.012 0.000 0.273 23 V C -0.619 175.595 176.094 0.200 0.000 1.045 23 V CA 0.044 62.429 62.300 0.143 0.000 0.976 23 V CB 0.944 32.816 31.823 0.083 0.000 0.993 23 V HN 0.063 nan 8.190 nan 0.000 0.475 24 F N 3.875 123.839 119.950 0.024 0.000 2.745 24 F HA 0.429 4.964 4.527 0.013 0.000 0.343 24 F C 0.174 175.965 175.800 -0.014 0.000 1.196 24 F CA -0.744 57.263 58.000 0.011 0.000 1.021 24 F CB 1.521 40.529 39.000 0.013 0.000 1.297 24 F HN 0.501 nan 8.300 nan 0.000 0.486 25 D N 6.618 126.845 120.400 -0.289 0.000 2.801 25 D HA -0.002 4.645 4.640 0.012 0.000 0.232 25 D C -0.196 175.980 176.300 -0.207 0.000 1.128 25 D CA 0.289 54.163 54.000 -0.211 0.000 1.003 25 D CB -0.274 40.411 40.800 -0.191 0.000 1.110 25 D HN 0.271 nan 8.370 nan 0.000 0.477 26 F N 1.888 121.711 119.950 -0.213 0.000 2.504 26 F HA 0.061 4.596 4.527 0.013 0.000 0.369 26 F C 0.570 176.249 175.800 -0.202 0.000 1.082 26 F CA -0.459 57.443 58.000 -0.164 0.000 1.216 26 F CB 0.711 39.707 39.000 -0.007 0.000 1.108 26 F HN -0.119 nan 8.300 nan 0.000 0.554 27 D N 7.354 127.271 120.400 -0.805 0.000 2.412 27 D HA 0.098 4.745 4.640 0.012 0.000 0.224 27 D C 0.939 176.717 176.300 -0.871 0.000 1.093 27 D CA -0.465 53.193 54.000 -0.570 0.000 0.850 27 D CB 0.891 41.483 40.800 -0.346 0.000 1.046 27 D HN 0.730 nan 8.370 nan 0.000 0.507 28 M N 2.067 121.318 119.600 -0.582 0.000 2.446 28 M HA -0.110 4.377 4.480 0.012 0.000 0.263 28 M C 0.196 176.248 176.300 -0.414 0.000 1.066 28 M CA 1.247 56.219 55.300 -0.548 0.000 1.087 28 M CB -0.194 32.277 32.600 -0.215 0.000 1.406 28 M HN 0.197 nan 8.290 nan 0.000 0.459 29 Y N 0.251 120.493 120.300 -0.097 0.000 2.478 29 Y HA 0.266 4.824 4.550 0.013 0.000 0.261 29 Y C 0.462 176.327 175.900 -0.059 0.000 1.127 29 Y CA -0.019 58.067 58.100 -0.023 0.000 1.288 29 Y CB 0.334 38.780 38.460 -0.022 0.000 1.084 29 Y HN 0.432 nan 8.280 nan 0.000 0.530 30 N N 0.267 118.931 118.700 -0.059 0.000 2.700 30 N HA 0.162 4.909 4.740 0.012 0.000 0.242 30 N C -3.242 172.129 175.510 -0.230 0.000 1.541 30 N CA -1.609 51.391 53.050 -0.083 0.000 0.764 30 N CB 0.750 39.213 38.487 -0.039 0.000 1.319 30 N HN -0.205 nan 8.380 nan 0.000 0.518 31 P HA 0.095 nan 4.420 nan 0.000 0.271 31 P C 0.832 178.020 177.300 -0.187 0.000 1.218 31 P CA -0.059 62.762 63.100 -0.466 0.000 0.780 31 P CB 1.260 32.667 31.700 -0.488 0.000 0.901 32 S N 1.862 117.468 115.700 -0.156 0.000 2.423 32 S HA -0.153 4.324 4.470 0.012 0.000 0.231 32 S C 1.022 175.619 174.600 -0.004 0.000 1.014 32 S CA 1.119 59.278 58.200 -0.069 0.000 0.965 32 S CB -1.086 62.074 63.200 -0.066 0.000 0.785 32 S HN 0.475 nan 8.310 nan 0.000 0.495 33 N N 0.912 119.635 118.700 0.038 0.000 2.322 33 N HA 0.312 5.059 4.740 0.012 0.000 0.216 33 N C 0.918 176.482 175.510 0.091 0.000 1.144 33 N CA -0.085 53.009 53.050 0.073 0.000 0.830 33 N CB 0.265 38.816 38.487 0.106 0.000 1.034 33 N HN 0.213 nan 8.380 nan 0.000 0.484 34 L N 0.717 121.987 121.223 0.079 0.000 2.079 34 L HA -0.166 4.182 4.340 0.012 0.000 0.210 34 L C 2.087 179.017 176.870 0.100 0.000 1.081 34 L CA 1.641 56.552 54.840 0.119 0.000 0.752 34 L CB -0.763 41.359 42.059 0.105 0.000 0.896 34 L HN 0.256 nan 8.230 nan 0.000 0.433 35 S N -1.020 114.714 115.700 0.057 0.000 2.469 35 S HA -0.051 4.426 4.470 0.012 0.000 0.238 35 S C 1.883 176.492 174.600 0.015 0.000 0.998 35 S CA 0.649 58.864 58.200 0.025 0.000 0.957 35 S CB -0.780 62.431 63.200 0.018 0.000 0.764 35 S HN 0.469 nan 8.310 nan 0.000 0.514 36 A N 1.091 123.940 122.820 0.048 0.000 2.238 36 A HA 0.578 4.905 4.320 0.012 0.000 0.208 36 A C 1.170 178.800 177.584 0.076 0.000 1.177 36 A CA 0.311 52.382 52.037 0.056 0.000 0.804 36 A CB -0.810 18.233 19.000 0.072 0.000 0.823 36 A HN 1.553 nan 8.150 nan 0.000 0.482 37 G N -2.265 106.588 108.800 0.088 0.000 2.742 37 G HA2 0.090 4.057 3.960 0.012 0.000 0.686 37 G HA3 0.090 4.057 3.960 0.012 0.000 0.686 37 G C 0.368 175.493 174.900 0.376 0.000 1.220 37 G CA -0.172 45.055 45.100 0.211 0.000 0.783 37 G HN 0.863 nan 8.290 nan 0.000 0.646 38 V N 1.671 121.966 119.914 0.635 0.000 2.358 38 V HA -0.127 4.000 4.120 0.012 0.000 0.246 38 V C 2.688 179.007 176.094 0.375 0.000 1.047 38 V CA 3.273 65.858 62.300 0.475 0.000 1.035 38 V CB -0.331 31.765 31.823 0.455 0.000 0.658 38 V HN 0.817 nan 8.190 nan 0.000 0.452 39 Q N 0.139 120.040 119.800 0.168 0.000 2.096 39 Q HA -0.245 4.102 4.340 0.012 0.000 0.204 39 Q C 2.069 178.163 176.000 0.157 0.000 0.982 39 Q CA 2.374 58.215 55.803 0.062 0.000 0.850 39 Q CB -0.348 28.328 28.738 -0.104 0.000 0.901 39 Q HN 0.708 nan 8.270 nan 0.000 0.422 40 E N 0.127 120.427 120.200 0.167 0.000 2.110 40 E HA -0.152 4.205 4.350 0.012 0.000 0.193 40 E C 1.827 178.546 176.600 0.199 0.000 0.988 40 E CA 1.242 57.731 56.400 0.149 0.000 0.804 40 E CB -0.347 29.434 29.700 0.134 0.000 0.745 40 E HN 0.420 nan 8.360 nan 0.000 0.458 41 A N -0.105 122.879 122.820 0.274 0.000 1.902 41 A HA -0.161 4.167 4.320 0.012 0.000 0.217 41 A C 1.734 179.540 177.584 0.370 0.000 1.181 41 A CA 1.253 53.464 52.037 0.290 0.000 0.623 41 A CB -0.930 18.242 19.000 0.286 0.000 0.818 41 A HN 0.363 nan 8.150 nan 0.000 0.443 42 W N -0.379 121.049 121.300 0.214 0.000 2.436 42 W HA 0.150 4.818 4.660 0.014 0.000 0.284 42 W C 2.563 179.047 176.519 -0.059 0.000 1.225 42 W CA 0.961 58.374 57.345 0.114 0.000 1.271 42 W CB -0.234 29.264 29.460 0.062 0.000 1.114 42 W HN 0.355 nan 8.180 nan 0.000 0.559 43 A N 0.416 123.352 122.820 0.195 0.000 2.172 43 A HA -0.070 4.257 4.320 0.012 0.000 0.216 43 A C 1.996 179.589 177.584 0.015 0.000 1.154 43 A CA 1.542 53.616 52.037 0.061 0.000 0.701 43 A CB -1.184 17.840 19.000 0.039 0.000 0.789 43 A HN 0.255 nan 8.150 nan 0.000 0.465 44 V N -2.042 117.906 119.914 0.056 0.000 2.688 44 V HA -0.193 3.935 4.120 0.012 0.000 0.256 44 V C 1.918 177.949 176.094 -0.105 0.000 1.084 44 V CA 1.969 64.295 62.300 0.044 0.000 1.103 44 V CB -0.933 30.994 31.823 0.174 0.000 0.688 44 V HN 0.456 nan 8.190 nan 0.000 0.480 45 L N -0.284 120.809 121.223 -0.217 0.000 2.549 45 L HA -0.016 4.332 4.340 0.012 0.000 0.229 45 L C 2.456 179.151 176.870 -0.292 0.000 1.158 45 L CA 1.233 55.828 54.840 -0.408 0.000 0.842 45 L CB -0.438 41.345 42.059 -0.459 0.000 0.952 45 L HN 0.439 nan 8.230 nan 0.000 0.452 46 Q N -0.805 118.889 119.800 -0.177 0.000 2.194 46 Q HA 0.139 4.486 4.340 0.012 0.000 0.214 46 Q C -0.105 175.831 176.000 -0.107 0.000 0.838 46 Q CA -0.188 55.536 55.803 -0.132 0.000 0.972 46 Q CB 0.723 29.404 28.738 -0.095 0.000 1.131 46 Q HN 0.453 nan 8.270 nan 0.000 0.498 47 E N 0.708 120.842 120.200 -0.110 0.000 2.404 47 E HA -0.022 4.335 4.350 0.012 0.000 0.261 47 E C 0.853 177.406 176.600 -0.078 0.000 1.074 47 E CA 0.260 56.617 56.400 -0.071 0.000 0.917 47 E CB 0.825 30.502 29.700 -0.039 0.000 0.965 47 E HN 0.173 nan 8.360 nan 0.000 0.433 48 S N 1.935 117.606 115.700 -0.050 0.000 2.469 48 S HA -0.172 4.305 4.470 0.012 0.000 0.238 48 S C 1.218 175.794 174.600 -0.040 0.000 0.998 48 S CA 1.096 59.269 58.200 -0.045 0.000 0.957 48 S CB -0.203 62.979 63.200 -0.030 0.000 0.764 48 S HN 0.653 nan 8.310 nan 0.000 0.514 49 N N 1.290 119.971 118.700 -0.032 0.000 2.461 49 N HA 0.010 4.758 4.740 0.012 0.000 0.188 49 N C -0.214 175.275 175.510 -0.035 0.000 1.134 49 N CA 0.085 53.128 53.050 -0.012 0.000 0.878 49 N CB -0.075 38.426 38.487 0.023 0.000 0.972 49 N HN 0.352 nan 8.380 nan 0.000 0.456 50 V N 2.302 122.153 119.914 -0.106 0.000 2.370 50 V HA 0.359 4.486 4.120 0.012 0.000 0.283 50 V C -2.049 173.968 176.094 -0.128 0.000 1.023 50 V CA -1.633 60.552 62.300 -0.191 0.000 0.857 50 V CB 1.308 32.882 31.823 -0.414 0.000 0.985 50 V HN 0.012 nan 8.190 nan 0.000 0.443 51 P HA 0.117 nan 4.420 nan 0.000 0.270 51 P C 0.339 177.596 177.300 -0.072 0.000 1.227 51 P CA -0.167 62.911 63.100 -0.035 0.000 0.788 51 P CB 0.659 32.380 31.700 0.035 0.000 0.926 52 D N -0.426 119.930 120.400 -0.074 0.000 2.218 52 D HA -0.044 4.604 4.640 0.012 0.000 0.204 52 D C 0.365 176.617 176.300 -0.080 0.000 0.976 52 D CA 1.443 55.377 54.000 -0.110 0.000 0.853 52 D CB -0.123 40.577 40.800 -0.166 0.000 0.939 52 D HN 0.057 nan 8.370 nan 0.000 0.481 53 L N 0.620 121.829 121.223 -0.022 0.000 2.441 53 L HA 0.351 4.699 4.340 0.012 0.000 0.270 53 L C -0.830 176.156 176.870 0.194 0.000 0.973 53 L CA -1.044 53.838 54.840 0.069 0.000 0.842 53 L CB 1.793 43.861 42.059 0.015 0.000 1.239 53 L HN -0.154 nan 8.230 nan 0.000 0.406 54 V N 1.674 121.749 119.914 0.268 0.000 3.046 54 V HA 0.682 4.810 4.120 0.012 0.000 0.316 54 V C -1.248 175.109 176.094 0.439 0.000 1.104 54 V CA -0.791 61.692 62.300 0.305 0.000 1.006 54 V CB 2.130 34.033 31.823 0.132 0.000 1.058 54 V HN 0.911 nan 8.190 nan 0.000 0.440 55 W N 2.122 123.445 121.300 0.038 0.000 2.529 55 W HA 0.656 5.323 4.660 0.012 0.000 0.321 55 W C -0.824 175.573 176.519 -0.204 0.000 1.047 55 W CA -0.199 56.978 57.345 -0.280 0.000 1.216 55 W CB 1.965 31.044 29.460 -0.635 0.000 1.357 55 W HN 0.880 nan 8.180 nan 0.000 0.489 56 T N 5.015 119.085 114.554 -0.808 0.000 2.859 56 T HA 0.382 4.740 4.350 0.012 0.000 0.281 56 T C 0.900 175.132 174.700 -0.780 0.000 1.005 56 T CA -0.453 61.292 62.100 -0.592 0.000 1.025 56 T CB 1.220 69.796 68.868 -0.486 0.000 0.977 56 T HN 0.629 nan 8.240 nan 0.000 0.458 57 R N 1.795 122.123 120.500 -0.288 0.000 2.310 57 R HA 0.213 4.560 4.340 0.012 0.000 0.202 57 R C 0.569 176.790 176.300 -0.132 0.000 0.933 57 R CA -0.196 55.832 56.100 -0.120 0.000 1.054 57 R CB -0.270 30.052 30.300 0.037 0.000 0.985 57 R HN 0.553 nan 8.270 nan 0.000 0.489 58 C N 2.002 121.194 119.300 -0.180 0.000 2.700 58 C HA 0.090 4.557 4.460 0.012 0.000 0.397 58 C C 0.807 175.785 174.990 -0.020 0.000 1.301 58 C CA -0.688 58.274 59.018 -0.094 0.000 2.219 58 C CB 0.162 27.840 27.740 -0.102 0.000 2.699 58 C HN 0.645 nan 8.230 nan 0.000 0.669 59 N N 0.906 119.632 118.700 0.044 0.000 2.740 59 N HA -0.200 4.548 4.740 0.012 0.000 0.248 59 N C 0.827 176.397 175.510 0.101 0.000 1.062 59 N CA 1.542 54.657 53.050 0.109 0.000 0.704 59 N CB -1.322 37.298 38.487 0.221 0.000 0.968 59 N HN 1.424 nan 8.380 nan 0.000 0.547 60 G N -1.580 107.253 108.800 0.055 0.000 2.258 60 G HA2 0.063 4.030 3.960 0.012 0.000 0.233 60 G HA3 0.063 4.030 3.960 0.012 0.000 0.233 60 G C 0.471 175.406 174.900 0.058 0.000 1.006 60 G CA 0.689 45.826 45.100 0.062 0.000 0.620 60 G HN 1.661 nan 8.290 nan 0.000 0.511 61 G N -0.608 108.162 108.800 -0.050 0.000 3.190 61 G HA2 0.569 4.536 3.960 0.012 0.000 0.686 61 G HA3 0.569 4.536 3.960 0.012 0.000 0.686 61 G C -0.538 173.940 174.900 -0.703 0.000 1.033 61 G CA 0.630 45.526 45.100 -0.340 0.000 0.797 61 G HN 2.815 nan 8.290 nan 0.000 0.567 62 H N -1.640 116.469 119.070 -1.602 0.000 3.024 62 H HA 0.640 5.203 4.556 0.012 0.000 0.324 62 H C -0.522 174.103 175.328 -1.173 0.000 1.347 62 H CA -1.620 53.692 56.048 -1.227 0.000 1.182 62 H CB 0.166 29.689 29.762 -0.397 0.000 1.889 62 H HN 0.667 nan 8.280 nan 0.000 0.528 63 W N 1.169 122.362 121.300 -0.179 0.000 2.150 63 W HA 0.523 5.191 4.660 0.013 0.000 0.341 63 W C -0.213 176.375 176.519 0.115 0.000 1.276 63 W CA -0.424 56.974 57.345 0.089 0.000 1.238 63 W CB 0.633 30.260 29.460 0.278 0.000 1.128 63 W HN 0.424 nan 8.180 nan 0.000 0.581 64 I N 2.621 123.402 120.570 0.351 0.000 2.478 64 I HA 0.405 4.583 4.170 0.012 0.000 0.287 64 I C -0.151 176.063 176.117 0.160 0.000 1.042 64 I CA -1.170 60.264 61.300 0.223 0.000 1.067 64 I CB 1.406 39.467 38.000 0.102 0.000 1.233 64 I HN 0.434 nan 8.210 nan 0.000 0.431 65 A N 3.255 126.134 122.820 0.098 0.000 2.328 65 A HA 0.527 4.854 4.320 0.012 0.000 0.284 65 A C 0.876 178.450 177.584 -0.017 0.000 1.160 65 A CA -0.153 51.900 52.037 0.027 0.000 0.818 65 A CB 0.275 19.270 19.000 -0.009 0.000 1.087 65 A HN 0.862 nan 8.150 nan 0.000 0.504 66 T N -0.450 114.068 114.554 -0.060 0.000 3.023 66 T HA 0.269 4.626 4.350 0.012 0.000 0.253 66 T C 0.559 175.204 174.700 -0.092 0.000 1.038 66 T CA -0.126 61.919 62.100 -0.092 0.000 0.962 66 T CB 0.087 68.867 68.868 -0.147 0.000 1.018 66 T HN 0.513 nan 8.240 nan 0.000 0.521 67 R N 0.295 120.738 120.500 -0.096 0.000 2.686 67 R HA 0.599 4.946 4.340 0.012 0.000 0.286 67 R C 1.460 177.704 176.300 -0.094 0.000 0.969 67 R CA -0.353 55.685 56.100 -0.102 0.000 0.898 67 R CB 1.215 31.440 30.300 -0.126 0.000 1.183 67 R HN 0.208 nan 8.270 nan 0.000 0.456 68 G N 1.114 109.864 108.800 -0.084 0.000 2.469 68 G HA2 -0.334 3.633 3.960 0.012 0.000 0.219 68 G HA3 -0.334 3.633 3.960 0.012 0.000 0.219 68 G C 1.050 175.897 174.900 -0.088 0.000 1.150 68 G CA 0.798 45.851 45.100 -0.078 0.000 0.763 68 G HN 0.636 nan 8.290 nan 0.000 0.561 69 Q N -0.598 119.143 119.800 -0.099 0.000 2.061 69 Q HA -0.115 4.232 4.340 0.012 0.000 0.204 69 Q C 2.534 178.477 176.000 -0.096 0.000 0.984 69 Q CA 1.302 57.048 55.803 -0.095 0.000 0.846 69 Q CB -0.166 28.506 28.738 -0.110 0.000 0.902 69 Q HN 0.424 nan 8.270 nan 0.000 0.421 70 L N 0.245 121.369 121.223 -0.165 0.000 2.109 70 L HA -0.117 4.231 4.340 0.012 0.000 0.207 70 L C 2.217 179.082 176.870 -0.008 0.000 1.086 70 L CA 1.122 55.887 54.840 -0.125 0.000 0.760 70 L CB -0.375 41.544 42.059 -0.234 0.000 0.910 70 L HN 0.269 nan 8.230 nan 0.000 0.437 71 I N -0.829 119.704 120.570 -0.061 0.000 2.163 71 I HA -0.355 3.822 4.170 0.012 0.000 0.243 71 I C 2.655 178.778 176.117 0.009 0.000 1.085 71 I CA 1.347 62.603 61.300 -0.074 0.000 1.347 71 I CB -0.301 37.695 38.000 -0.006 0.000 1.044 71 I HN 0.197 nan 8.210 nan 0.000 0.408 72 R N 0.558 121.073 120.500 0.024 0.000 2.083 72 R HA -0.185 4.163 4.340 0.012 0.000 0.237 72 R C 2.258 178.692 176.300 0.223 0.000 1.137 72 R CA 1.619 57.744 56.100 0.041 0.000 0.951 72 R CB -0.361 29.798 30.300 -0.234 0.000 0.851 72 R HN 0.427 nan 8.270 nan 0.000 0.434 73 E N 0.216 120.517 120.200 0.169 0.000 2.085 73 E HA -0.200 4.157 4.350 0.012 0.000 0.194 73 E C 2.029 178.752 176.600 0.205 0.000 0.994 73 E CA 1.235 57.795 56.400 0.268 0.000 0.801 73 E CB -0.097 29.837 29.700 0.390 0.000 0.743 73 E HN 0.393 nan 8.360 nan 0.000 0.453 74 A N 0.394 123.177 122.820 -0.062 0.000 1.930 74 A HA -0.162 4.165 4.320 0.012 0.000 0.217 74 A C 1.756 179.185 177.584 -0.257 0.000 1.175 74 A CA 1.058 52.720 52.037 -0.623 0.000 0.627 74 A CB -0.620 17.535 19.000 -1.408 0.000 0.815 74 A HN 0.241 nan 8.150 nan 0.000 0.443 75 Y N 0.563 120.875 120.300 0.020 0.000 2.352 75 Y HA -0.108 4.450 4.550 0.012 0.000 0.292 75 Y C 2.323 178.340 175.900 0.195 0.000 1.136 75 Y CA 1.338 59.519 58.100 0.135 0.000 1.227 75 Y CB -0.336 38.236 38.460 0.186 0.000 0.991 75 Y HN 0.484 nan 8.280 nan 0.000 0.545 76 E N -0.811 119.606 120.200 0.362 0.000 2.158 76 E HA -0.139 4.218 4.350 0.012 0.000 0.191 76 E C 0.443 177.225 176.600 0.303 0.000 0.982 76 E CA 0.903 57.477 56.400 0.290 0.000 0.823 76 E CB 0.031 29.895 29.700 0.273 0.000 0.766 76 E HN 0.146 nan 8.360 nan 0.000 0.468 77 D N 0.219 120.795 120.400 0.293 0.000 2.631 77 D HA -0.018 4.629 4.640 0.012 0.000 0.227 77 D C 0.480 176.882 176.300 0.170 0.000 1.146 77 D CA -0.402 53.723 54.000 0.207 0.000 1.009 77 D CB -0.189 40.810 40.800 0.332 0.000 1.057 77 D HN 0.203 nan 8.370 nan 0.000 0.509 78 Y N 0.666 121.051 120.300 0.141 0.000 2.421 78 Y HA 0.046 4.603 4.550 0.012 0.000 0.292 78 Y C 1.778 177.685 175.900 0.011 0.000 1.136 78 Y CA 0.560 58.733 58.100 0.122 0.000 1.255 78 Y CB -0.309 38.220 38.460 0.115 0.000 0.991 78 Y HN 0.027 nan 8.280 nan 0.000 0.552 79 R N -0.289 119.732 120.500 -0.799 0.000 2.115 79 R HA -0.096 4.252 4.340 0.012 0.000 0.230 79 R C 1.465 177.424 176.300 -0.569 0.000 1.111 79 R CA 1.933 57.628 56.100 -0.675 0.000 0.976 79 R CB -0.432 29.381 30.300 -0.811 0.000 0.870 79 R HN 0.586 nan 8.270 nan 0.000 0.445 80 H N -1.883 116.902 119.070 -0.475 0.000 2.451 80 H HA 0.109 4.672 4.556 0.012 0.000 0.294 80 H C -0.216 174.705 175.328 -0.678 0.000 1.028 80 H CA 0.237 55.854 56.048 -0.717 0.000 1.349 80 H CB 0.459 29.463 29.762 -1.265 0.000 1.444 80 H HN -0.040 nan 8.280 nan 0.000 0.538 81 F N 1.133 121.065 119.950 -0.030 0.000 2.307 81 F HA 0.291 4.826 4.527 0.013 0.000 0.369 81 F C 0.221 176.045 175.800 0.040 0.000 1.076 81 F CA -0.684 57.306 58.000 -0.016 0.000 1.149 81 F CB 1.213 40.166 39.000 -0.077 0.000 1.410 81 F HN -0.099 nan 8.300 nan 0.000 0.481 82 S N 0.929 116.723 115.700 0.156 0.000 2.586 82 S HA 0.261 4.738 4.470 0.012 0.000 0.274 82 S C 1.068 175.726 174.600 0.097 0.000 1.281 82 S CA -0.500 57.779 58.200 0.133 0.000 1.035 82 S CB 1.107 64.353 63.200 0.078 0.000 0.962 82 S HN 0.508 nan 8.310 nan 0.000 0.512 83 S N 3.000 118.744 115.700 0.074 0.000 2.603 83 S HA 0.066 4.543 4.470 0.012 0.000 0.220 83 S C 1.460 176.020 174.600 -0.067 0.000 0.967 83 S CA -0.094 58.071 58.200 -0.057 0.000 0.920 83 S CB -0.172 62.913 63.200 -0.192 0.000 0.773 83 S HN 0.776 nan 8.310 nan 0.000 0.529 84 E N 0.427 120.626 120.200 -0.002 0.000 2.118 84 E HA -0.142 4.215 4.350 0.012 0.000 0.195 84 E C -0.076 176.501 176.600 -0.037 0.000 0.992 84 E CA 0.793 57.193 56.400 -0.000 0.000 0.804 84 E CB 0.029 29.745 29.700 0.027 0.000 0.741 84 E HN 0.401 nan 8.360 nan 0.000 0.458 85 C N 1.517 120.783 119.300 -0.056 0.000 2.492 85 C HA 0.244 4.711 4.460 0.012 0.000 0.284 85 C C -1.618 173.261 174.990 -0.185 0.000 1.082 85 C CA -1.231 57.731 59.018 -0.093 0.000 1.555 85 C CB 0.619 28.349 27.740 -0.017 0.000 1.798 85 C HN 0.279 nan 8.230 nan 0.000 0.413 86 P HA 0.129 nan 4.420 nan 0.000 0.255 86 P C -0.289 176.679 177.300 -0.553 0.000 1.248 86 P CA 0.541 63.296 63.100 -0.575 0.000 0.807 86 P CB 0.242 31.402 31.700 -0.900 0.000 1.150 87 F N -0.057 119.838 119.950 -0.093 0.000 2.532 87 F HA 0.452 4.986 4.527 0.012 0.000 0.321 87 F C 0.606 176.365 175.800 -0.068 0.000 1.089 87 F CA -1.748 56.195 58.000 -0.095 0.000 0.926 87 F CB 1.149 40.053 39.000 -0.160 0.000 1.168 87 F HN -0.363 nan 8.300 nan 0.000 0.459 88 I N 4.655 125.310 120.570 0.141 0.000 2.359 88 I HA 0.394 4.571 4.170 0.012 0.000 0.294 88 I C -2.163 174.064 176.117 0.182 0.000 0.987 88 I CA -1.781 59.542 61.300 0.037 0.000 1.225 88 I CB 1.563 39.416 38.000 -0.246 0.000 1.366 88 I HN 0.389 nan 8.210 nan 0.000 0.466 89 P HA 0.291 nan 4.420 nan 0.000 0.279 89 P C 0.404 177.735 177.300 0.052 0.000 1.276 89 P CA -0.715 62.423 63.100 0.064 0.000 0.801 89 P CB 0.674 32.401 31.700 0.045 0.000 1.127 90 R N -0.521 120.007 120.500 0.045 0.000 2.170 90 R HA -0.148 4.199 4.340 0.012 0.000 0.242 90 R C 0.245 176.564 176.300 0.032 0.000 1.145 90 R CA 1.545 57.672 56.100 0.044 0.000 0.984 90 R CB -0.027 30.303 30.300 0.049 0.000 0.869 90 R HN 0.563 nan 8.270 nan 0.000 0.455 96 Y N 2.874 123.200 120.300 0.042 0.000 2.496 96 Y HA 0.390 4.948 4.550 0.012 0.000 0.334 96 Y C 0.491 176.392 175.900 0.002 0.000 1.080 96 Y CA 0.965 59.077 58.100 0.020 0.000 1.355 96 Y CB 0.741 39.173 38.460 -0.047 0.000 1.193 96 Y HN 0.375 nan 8.280 nan 0.000 0.523 97 D N 4.029 124.144 120.400 -0.474 0.000 2.651 97 D HA 0.050 4.697 4.640 0.012 0.000 0.280 97 D C -0.618 175.557 176.300 -0.209 0.000 1.496 97 D CA -0.342 53.533 54.000 -0.209 0.000 0.792 97 D CB -1.290 39.479 40.800 -0.053 0.000 1.144 97 D HN 0.353 nan 8.370 nan 0.000 0.470 98 F N 0.722 120.401 119.950 -0.453 0.000 2.506 98 F HA 0.313 4.847 4.527 0.013 0.000 0.351 98 F C 1.069 176.827 175.800 -0.070 0.000 1.136 98 F CA -0.392 57.472 58.000 -0.226 0.000 1.298 98 F CB 0.943 39.792 39.000 -0.252 0.000 1.145 98 F HN -0.242 nan 8.300 nan 0.000 0.593 99 I N 4.181 124.840 120.570 0.148 0.000 2.474 99 I HA 0.238 4.416 4.170 0.012 0.000 0.294 99 I C -1.965 174.178 176.117 0.043 0.000 1.005 99 I CA -1.777 59.515 61.300 -0.014 0.000 1.113 99 I CB 2.315 40.154 38.000 -0.270 0.000 1.289 99 I HN 0.328 nan 8.210 nan 0.000 0.436 100 P HA 0.174 nan 4.420 nan 0.000 0.270 100 P C 0.784 178.218 177.300 0.223 0.000 1.754 100 P CA -0.158 62.993 63.100 0.085 0.000 1.202 100 P CB 0.329 32.095 31.700 0.110 0.000 1.592 101 T N -0.553 114.143 114.554 0.236 0.000 2.653 101 T HA -0.136 4.221 4.350 0.012 0.000 0.268 101 T C 1.549 176.274 174.700 0.041 0.000 1.035 101 T CA 2.032 64.249 62.100 0.195 0.000 1.154 101 T CB -0.577 68.526 68.868 0.392 0.000 0.862 101 T HN 0.179 nan 8.240 nan 0.000 0.441 102 S N 0.298 116.065 115.700 0.111 0.000 2.557 102 S HA 0.372 4.850 4.470 0.012 0.000 0.223 102 S C 0.438 175.085 174.600 0.079 0.000 0.969 102 S CA -0.147 58.079 58.200 0.043 0.000 0.927 102 S CB -0.059 63.190 63.200 0.083 0.000 0.806 102 S HN 0.410 nan 8.310 nan 0.000 0.489 103 M N 2.015 121.708 119.600 0.156 0.000 2.277 103 M HA 0.308 4.796 4.480 0.012 0.000 0.350 103 M C -0.647 175.799 176.300 0.243 0.000 1.180 103 M CA -0.382 55.014 55.300 0.160 0.000 1.103 103 M CB 0.797 33.471 32.600 0.124 0.000 1.577 103 M HN -0.047 nan 8.290 nan 0.000 0.459 104 D N 3.191 123.690 120.400 0.166 0.000 2.277 104 D HA 0.418 5.065 4.640 0.012 0.000 0.250 104 D C -2.378 173.921 176.300 -0.002 0.000 1.032 104 D CA -1.314 52.777 54.000 0.150 0.000 0.947 104 D CB 0.882 41.796 40.800 0.189 0.000 1.159 104 D HN 0.192 nan 8.370 nan 0.000 0.460 105 P HA 0.083 nan 4.420 nan 0.000 0.267 105 P C -1.823 175.409 177.300 -0.113 0.000 1.200 105 P CA -0.755 62.165 63.100 -0.299 0.000 0.772 105 P CB 0.186 31.448 31.700 -0.730 0.000 0.855 106 P HA 0.032 nan 4.420 nan 0.000 0.257 106 P C 1.159 178.450 177.300 -0.016 0.000 1.241 106 P CA 0.498 63.564 63.100 -0.057 0.000 0.816 106 P CB 0.260 31.948 31.700 -0.021 0.000 1.150 107 E N 0.930 121.149 120.200 0.031 0.000 2.130 107 E HA -0.243 4.114 4.350 0.012 0.000 0.196 107 E C 2.091 178.791 176.600 0.166 0.000 0.998 107 E CA 0.973 57.434 56.400 0.102 0.000 0.806 107 E CB -0.143 29.633 29.700 0.127 0.000 0.738 107 E HN 0.193 nan 8.360 nan 0.000 0.459 108 Q N 0.255 120.111 119.800 0.094 0.000 2.230 108 Q HA -0.152 4.195 4.340 0.012 0.000 0.202 108 Q C 2.127 178.161 176.000 0.055 0.000 0.963 108 Q CA 0.812 56.674 55.803 0.098 0.000 0.866 108 Q CB 0.091 28.788 28.738 -0.068 0.000 0.931 108 Q HN 0.261 nan 8.270 nan 0.000 0.452 109 R N -0.046 120.438 120.500 -0.028 0.000 2.091 109 R HA -0.171 4.176 4.340 0.012 0.000 0.238 109 R C 2.381 178.648 176.300 -0.054 0.000 1.136 109 R CA 1.808 57.872 56.100 -0.060 0.000 0.959 109 R CB -0.124 30.128 30.300 -0.079 0.000 0.856 109 R HN 0.396 nan 8.270 nan 0.000 0.437 110 Q N -0.597 119.144 119.800 -0.098 0.000 2.079 110 Q HA -0.129 4.218 4.340 0.012 0.000 0.200 110 Q C 1.880 177.753 176.000 -0.213 0.000 0.974 110 Q CA 1.436 57.115 55.803 -0.206 0.000 0.840 110 Q CB -0.049 28.474 28.738 -0.358 0.000 0.898 110 Q HN 0.269 nan 8.270 nan 0.000 0.430 111 F N 0.391 120.329 119.950 -0.019 0.000 2.186 111 F HA -0.117 4.417 4.527 0.012 0.000 0.299 111 F C 2.384 178.178 175.800 -0.010 0.000 1.090 111 F CA 1.038 59.034 58.000 -0.006 0.000 1.307 111 F CB -0.183 38.823 39.000 0.011 0.000 1.019 111 F HN -0.051 nan 8.300 nan 0.000 0.489 112 R N 0.051 120.634 120.500 0.138 0.000 2.081 112 R HA -0.140 4.207 4.340 0.012 0.000 0.235 112 R C 2.452 178.768 176.300 0.027 0.000 1.131 112 R CA 1.215 57.350 56.100 0.058 0.000 0.960 112 R CB -0.757 29.541 30.300 -0.004 0.000 0.856 112 R HN 0.290 nan 8.270 nan 0.000 0.436 113 A N 1.039 123.857 122.820 -0.002 0.000 1.908 113 A HA -0.178 4.149 4.320 0.012 0.000 0.218 113 A C 2.033 179.612 177.584 -0.007 0.000 1.181 113 A CA 1.164 53.191 52.037 -0.018 0.000 0.627 113 A CB -0.443 18.531 19.000 -0.044 0.000 0.818 113 A HN 0.252 nan 8.150 nan 0.000 0.445 114 L N -0.375 120.848 121.223 0.001 0.000 2.027 114 L HA 0.032 4.380 4.340 0.012 0.000 0.206 114 L C 2.662 179.553 176.870 0.035 0.000 1.074 114 L CA 2.172 57.019 54.840 0.011 0.000 0.745 114 L CB -0.904 41.165 42.059 0.017 0.000 0.898 114 L HN 0.319 nan 8.230 nan 0.000 0.433 115 A N -0.469 122.388 122.820 0.062 0.000 1.933 115 A HA -0.271 4.056 4.320 0.012 0.000 0.218 115 A C 2.178 179.785 177.584 0.038 0.000 1.175 115 A CA 1.858 53.931 52.037 0.060 0.000 0.628 115 A CB -1.032 18.013 19.000 0.076 0.000 0.814 115 A HN 0.603 nan 8.150 nan 0.000 0.444 116 N N -0.242 118.476 118.700 0.029 0.000 2.205 116 N HA -0.177 4.571 4.740 0.012 0.000 0.186 116 N C 1.829 177.348 175.510 0.014 0.000 1.015 116 N CA 1.611 54.675 53.050 0.023 0.000 0.862 116 N CB -0.292 38.205 38.487 0.016 0.000 0.986 116 N HN 0.645 nan 8.380 nan 0.000 0.429 117 Q N -0.803 119.001 119.800 0.006 0.000 2.226 117 Q HA -0.082 4.265 4.340 0.012 0.000 0.204 117 Q C 1.800 177.798 176.000 -0.003 0.000 0.975 117 Q CA 1.437 57.238 55.803 -0.003 0.000 0.866 117 Q CB 0.169 28.902 28.738 -0.007 0.000 0.915 117 Q HN 0.500 nan 8.270 nan 0.000 0.440 118 V N -3.232 116.685 119.914 0.004 0.000 3.307 118 V HA 0.065 4.192 4.120 0.012 0.000 0.253 118 V C 1.478 177.571 176.094 -0.001 0.000 1.149 118 V CA 0.608 62.906 62.300 -0.003 0.000 1.112 118 V CB 0.574 32.396 31.823 -0.002 0.000 0.777 118 V HN 0.203 nan 8.190 nan 0.000 0.464 119 V N -2.072 117.851 119.914 0.016 0.000 3.330 119 V HA 0.687 4.815 4.120 0.012 0.000 0.309 119 V C 1.135 177.257 176.094 0.046 0.000 1.481 119 V CA 0.129 62.443 62.300 0.024 0.000 1.068 119 V CB -0.687 31.154 31.823 0.030 0.000 0.935 119 V HN 0.440 nan 8.190 nan 0.000 0.453 120 G N -0.077 108.747 108.800 0.039 0.000 2.716 120 G HA2 0.267 4.234 3.960 0.012 0.000 0.251 120 G HA3 0.267 4.234 3.960 0.012 0.000 0.251 120 G C 0.557 175.458 174.900 0.001 0.000 1.224 120 G CA 0.300 45.431 45.100 0.052 0.000 0.891 120 G HN 0.201 nan 8.290 nan 0.000 0.561 121 M N 1.150 120.683 119.600 -0.111 0.000 2.089 121 M HA -0.074 4.414 4.480 0.012 0.000 0.257 121 M C -0.225 176.020 176.300 -0.091 0.000 1.071 121 M CA 2.060 57.247 55.300 -0.188 0.000 1.096 121 M CB -0.964 31.413 32.600 -0.371 0.000 1.330 121 M HN 0.357 nan 8.290 nan 0.000 0.403 122 P HA -0.109 nan 4.420 nan 0.000 0.217 122 P C 1.750 179.031 177.300 -0.032 0.000 1.150 122 P CA 1.237 64.308 63.100 -0.048 0.000 0.832 122 P CB -0.123 31.552 31.700 -0.042 0.000 0.787 123 V N -0.511 119.387 119.914 -0.026 0.000 2.307 123 V HA -0.183 3.944 4.120 0.012 0.000 0.245 123 V C 2.454 178.540 176.094 -0.014 0.000 1.045 123 V CA 1.655 63.943 62.300 -0.020 0.000 1.024 123 V CB -1.164 30.648 31.823 -0.018 0.000 0.651 123 V HN -0.043 nan 8.190 nan 0.000 0.449 124 V N 0.281 120.191 119.914 -0.006 0.000 2.332 124 V HA -0.270 3.857 4.120 0.012 0.000 0.248 124 V C 2.289 178.386 176.094 0.005 0.000 1.055 124 V CA 2.193 64.498 62.300 0.008 0.000 1.038 124 V CB -0.749 31.093 31.823 0.030 0.000 0.651 124 V HN 0.556 nan 8.190 nan 0.000 0.450 125 D N 0.028 120.423 120.400 -0.008 0.000 2.117 125 D HA -0.167 4.480 4.640 0.012 0.000 0.197 125 D C 2.250 178.549 176.300 -0.002 0.000 0.987 125 D CA 1.266 55.263 54.000 -0.006 0.000 0.829 125 D CB -0.201 40.589 40.800 -0.018 0.000 0.961 125 D HN 0.387 nan 8.370 nan 0.000 0.460 126 K N -0.041 120.354 120.400 -0.008 0.000 2.148 126 K HA 0.030 4.357 4.320 0.012 0.000 0.204 126 K C 2.029 178.627 176.600 -0.003 0.000 1.050 126 K CA 0.494 56.777 56.287 -0.007 0.000 0.942 126 K CB 0.036 32.527 32.500 -0.014 0.000 0.724 126 K HN 0.125 nan 8.250 nan 0.000 0.446 127 L N 0.314 121.536 121.223 -0.002 0.000 2.509 127 L HA -0.015 4.332 4.340 0.012 0.000 0.222 127 L C 2.233 179.114 176.870 0.018 0.000 1.123 127 L CA 0.358 55.197 54.840 -0.001 0.000 0.856 127 L CB -0.170 41.881 42.059 -0.013 0.000 0.985 127 L HN 0.289 nan 8.230 nan 0.000 0.456 128 E N 1.098 121.314 120.200 0.028 0.000 2.070 128 E HA -0.306 4.051 4.350 0.012 0.000 0.197 128 E C 1.920 178.555 176.600 0.059 0.000 1.004 128 E CA 1.583 58.012 56.400 0.050 0.000 0.805 128 E CB -0.019 29.709 29.700 0.047 0.000 0.744 128 E HN 0.466 nan 8.360 nan 0.000 0.451 129 N N -0.099 118.627 118.700 0.044 0.000 2.188 129 N HA -0.155 4.592 4.740 0.012 0.000 0.184 129 N C 1.794 177.336 175.510 0.052 0.000 1.018 129 N CA 0.738 53.816 53.050 0.046 0.000 0.858 129 N CB 0.068 38.574 38.487 0.031 0.000 0.989 129 N HN 0.111 nan 8.380 nan 0.000 0.426 130 R N 0.915 121.439 120.500 0.040 0.000 2.096 130 R HA -0.029 4.319 4.340 0.012 0.000 0.235 130 R C 2.301 178.640 176.300 0.065 0.000 1.127 130 R CA 0.529 56.652 56.100 0.038 0.000 0.968 130 R CB -0.942 29.365 30.300 0.012 0.000 0.861 130 R HN 0.405 nan 8.270 nan 0.000 0.440 131 I N 1.158 121.774 120.570 0.077 0.000 2.226 131 I HA -0.273 3.905 4.170 0.012 0.000 0.245 131 I C 2.876 179.140 176.117 0.245 0.000 1.100 131 I CA 1.242 62.627 61.300 0.141 0.000 1.374 131 I CB -0.382 37.697 38.000 0.131 0.000 1.057 131 I HN 0.148 nan 8.210 nan 0.000 0.413 132 Q N 1.330 121.233 119.800 0.173 0.000 2.084 132 Q HA -0.241 4.107 4.340 0.012 0.000 0.202 132 Q C 1.941 178.022 176.000 0.136 0.000 0.978 132 Q CA 1.799 57.695 55.803 0.156 0.000 0.844 132 Q CB -0.036 28.764 28.738 0.104 0.000 0.898 132 Q HN 0.569 nan 8.270 nan 0.000 0.426 133 E N 0.183 120.448 120.200 0.109 0.000 2.110 133 E HA -0.182 4.175 4.350 0.012 0.000 0.193 133 E C 2.054 178.717 176.600 0.105 0.000 0.988 133 E CA 0.997 57.448 56.400 0.084 0.000 0.804 133 E CB -0.110 29.625 29.700 0.059 0.000 0.745 133 E HN 0.191 nan 8.360 nan 0.000 0.458 134 L N 0.977 122.288 121.223 0.146 0.000 2.017 134 L HA -0.108 4.239 4.340 0.012 0.000 0.208 134 L C 2.200 179.207 176.870 0.228 0.000 1.073 134 L CA 2.082 57.031 54.840 0.182 0.000 0.745 134 L CB -0.679 41.501 42.059 0.202 0.000 0.894 134 L HN 0.032 nan 8.230 nan 0.000 0.432 135 A N -1.158 121.842 122.820 0.301 0.000 1.908 135 A HA -0.291 4.036 4.320 0.012 0.000 0.218 135 A C 2.554 180.238 177.584 0.168 0.000 1.181 135 A CA 1.811 53.969 52.037 0.201 0.000 0.627 135 A CB -1.669 17.428 19.000 0.162 0.000 0.818 135 A HN 0.709 nan 8.150 nan 0.000 0.445 136 C N -1.031 118.336 119.300 0.112 0.000 2.432 136 C HA -0.064 4.404 4.460 0.012 0.000 0.277 136 C C 3.138 178.155 174.990 0.044 0.000 1.249 136 C CA 1.699 60.748 59.018 0.052 0.000 1.725 136 C CB -1.117 26.647 27.740 0.040 0.000 2.028 136 C HN 0.618 nan 8.230 nan 0.000 0.477 137 S N -0.202 115.536 115.700 0.062 0.000 2.359 137 S HA -0.114 4.363 4.470 0.012 0.000 0.224 137 S C 1.819 176.452 174.600 0.055 0.000 1.035 137 S CA 1.893 60.122 58.200 0.049 0.000 1.018 137 S CB -0.402 62.828 63.200 0.051 0.000 0.876 137 S HN 0.694 nan 8.310 nan 0.000 0.448 138 L N 0.613 121.886 121.223 0.084 0.000 2.017 138 L HA -0.059 4.289 4.340 0.012 0.000 0.208 138 L C 2.411 179.365 176.870 0.139 0.000 1.073 138 L CA 1.309 56.213 54.840 0.107 0.000 0.745 138 L CB -0.488 41.604 42.059 0.054 0.000 0.894 138 L HN 0.356 nan 8.230 nan 0.000 0.432 139 I N -0.395 120.244 120.570 0.115 0.000 2.252 139 I HA -0.260 3.917 4.170 0.012 0.000 0.245 139 I C 2.600 178.632 176.117 -0.141 0.000 1.102 139 I CA 1.034 62.274 61.300 -0.099 0.000 1.385 139 I CB -0.176 37.672 38.000 -0.254 0.000 1.064 139 I HN 0.237 nan 8.210 nan 0.000 0.414 140 E N 1.130 121.286 120.200 -0.073 0.000 2.110 140 E HA -0.219 4.138 4.350 0.012 0.000 0.193 140 E C 2.220 178.815 176.600 -0.008 0.000 0.988 140 E CA 1.814 58.182 56.400 -0.054 0.000 0.804 140 E CB -0.208 29.475 29.700 -0.029 0.000 0.745 140 E HN 0.500 nan 8.360 nan 0.000 0.458 141 S N -0.602 115.110 115.700 0.020 0.000 2.423 141 S HA -0.094 4.383 4.470 0.012 0.000 0.231 141 S C 1.960 176.604 174.600 0.072 0.000 1.014 141 S CA 1.089 59.315 58.200 0.043 0.000 0.965 141 S CB -0.347 62.883 63.200 0.049 0.000 0.785 141 S HN 0.343 nan 8.310 nan 0.000 0.495 142 L N 0.307 121.584 121.223 0.091 0.000 2.298 142 L HA 0.260 4.608 4.340 0.012 0.000 0.209 142 L C 2.941 179.992 176.870 0.301 0.000 1.084 142 L CA 0.405 55.362 54.840 0.196 0.000 0.816 142 L CB -0.476 41.736 42.059 0.256 0.000 0.967 142 L HN 0.251 nan 8.230 nan 0.000 0.460 143 R N 1.093 121.668 120.500 0.124 0.000 2.133 143 R HA -0.210 4.138 4.340 0.012 0.000 0.245 143 R C -0.622 175.886 176.300 0.346 0.000 1.137 143 R CA 2.357 58.544 56.100 0.146 0.000 0.947 143 R CB -1.201 29.053 30.300 -0.077 0.000 0.865 143 R HN 0.242 nan 8.270 nan 0.000 0.437 144 P HA -0.052 nan 4.420 nan 0.000 0.233 144 P C 0.485 177.828 177.300 0.072 0.000 1.167 144 P CA 1.041 64.212 63.100 0.118 0.000 0.770 144 P CB -0.005 31.730 31.700 0.060 0.000 0.837 145 Q N -0.916 118.927 119.800 0.072 0.000 2.230 145 Q HA 0.038 4.385 4.340 0.012 0.000 0.202 145 Q C 1.529 177.360 176.000 -0.281 0.000 0.963 145 Q CA 0.969 56.737 55.803 -0.059 0.000 0.866 145 Q CB -0.559 28.166 28.738 -0.021 0.000 0.931 145 Q HN 0.249 nan 8.270 nan 0.000 0.452 146 G N 1.549 110.022 108.800 -0.545 0.000 2.168 146 G HA2 -0.322 3.645 3.960 0.012 0.000 0.263 146 G HA3 -0.322 3.645 3.960 0.012 0.000 0.263 146 G C -0.047 173.889 174.900 -1.607 0.000 0.977 146 G CA 0.873 45.217 45.100 -1.259 0.000 0.659 146 G HN 0.469 nan 8.290 nan 0.000 0.533 147 Q N -1.671 117.289 119.800 -1.400 0.000 2.647 147 Q HA 0.631 4.978 4.340 0.012 0.000 0.283 147 Q C -0.383 175.461 176.000 -0.259 0.000 0.943 147 Q CA -0.715 54.589 55.803 -0.832 0.000 0.813 147 Q CB 1.606 30.126 28.738 -0.364 0.000 1.477 147 Q HN 1.431 nan 8.270 nan 0.000 0.393 148 C N -0.235 119.123 119.300 0.097 0.000 3.306 148 C HA 0.689 5.157 4.460 0.012 0.000 0.335 148 C C -1.499 173.624 174.990 0.221 0.000 1.382 148 C CA -0.921 58.242 59.018 0.240 0.000 1.254 148 C CB 1.280 29.293 27.740 0.455 0.000 1.555 148 C HN 0.996 nan 8.230 nan 0.000 0.463 149 N N 0.637 119.438 118.700 0.169 0.000 2.462 149 N HA 0.263 5.010 4.740 0.012 0.000 0.242 149 N C 0.074 175.690 175.510 0.177 0.000 1.010 149 N CA -1.166 51.975 53.050 0.151 0.000 0.939 149 N CB 0.308 38.847 38.487 0.088 0.000 1.127 149 N HN 0.777 nan 8.380 nan 0.000 0.509 150 F N 3.459 123.449 119.950 0.068 0.000 2.161 150 F HA -0.172 4.362 4.527 0.012 0.000 0.300 150 F C 1.702 177.523 175.800 0.035 0.000 1.089 150 F CA 1.588 59.602 58.000 0.023 0.000 1.282 150 F CB -0.233 38.662 39.000 -0.175 0.000 1.010 150 F HN 0.428 nan 8.300 nan 0.000 0.485 151 T N -0.369 114.223 114.554 0.062 0.000 2.708 151 T HA -0.236 4.121 4.350 0.012 0.000 0.266 151 T C 1.679 176.324 174.700 -0.090 0.000 1.037 151 T CA 1.798 63.881 62.100 -0.029 0.000 1.146 151 T CB -0.312 68.572 68.868 0.025 0.000 0.865 151 T HN 0.304 nan 8.240 nan 0.000 0.435 152 E N 0.920 121.097 120.200 -0.037 0.000 2.122 152 E HA -0.072 4.285 4.350 0.012 0.000 0.190 152 E C 1.573 178.150 176.600 -0.037 0.000 0.977 152 E CA 0.959 57.343 56.400 -0.027 0.000 0.820 152 E CB -0.082 29.622 29.700 0.007 0.000 0.770 152 E HN 0.311 nan 8.360 nan 0.000 0.462 153 D N -1.363 119.022 120.400 -0.023 0.000 2.327 153 D HA -0.025 4.622 4.640 0.012 0.000 0.205 153 D C 0.919 177.222 176.300 0.005 0.000 0.989 153 D CA 0.578 54.591 54.000 0.021 0.000 0.873 153 D CB 0.234 41.099 40.800 0.108 0.000 0.955 153 D HN 0.256 nan 8.370 nan 0.000 0.515 154 Y N 0.585 120.708 120.300 -0.295 0.000 2.769 154 Y HA 0.372 4.929 4.550 0.012 0.000 0.266 154 Y C 2.108 177.765 175.900 -0.406 0.000 1.091 154 Y CA 0.687 58.561 58.100 -0.376 0.000 1.272 154 Y CB -0.137 37.996 38.460 -0.545 0.000 1.469 154 Y HN -0.132 nan 8.280 nan 0.000 0.475 155 A N 0.799 123.346 122.820 -0.456 0.000 1.877 155 A HA -0.124 4.203 4.320 0.012 0.000 0.216 155 A C 1.987 179.521 177.584 -0.084 0.000 1.186 155 A CA 1.923 53.831 52.037 -0.214 0.000 0.620 155 A CB -0.580 18.309 19.000 -0.185 0.000 0.822 155 A HN 0.517 nan 8.150 nan 0.000 0.443 156 E N -0.598 119.541 120.200 -0.102 0.000 2.077 156 E HA -0.121 4.237 4.350 0.012 0.000 0.193 156 E C -0.357 176.213 176.600 -0.049 0.000 0.989 156 E CA 1.572 57.940 56.400 -0.054 0.000 0.800 156 E CB -1.391 28.281 29.700 -0.047 0.000 0.746 156 E HN 0.471 nan 8.360 nan 0.000 0.452 157 P HA -0.067 nan 4.420 nan 0.000 0.225 157 P C 1.222 178.501 177.300 -0.036 0.000 1.156 157 P CA 0.622 63.688 63.100 -0.057 0.000 0.787 157 P CB -0.123 31.535 31.700 -0.070 0.000 0.802 158 F N 2.017 121.805 119.950 -0.270 0.000 2.074 158 F HA 0.030 4.564 4.527 0.011 0.000 0.293 158 F C -0.961 174.778 175.800 -0.101 0.000 1.116 158 F CA 1.151 58.988 58.000 -0.272 0.000 1.212 158 F CB -1.661 37.043 39.000 -0.494 0.000 0.998 158 F HN -0.046 nan 8.300 nan 0.000 0.471 159 P HA -0.146 nan 4.420 nan 0.000 0.217 159 P C 2.032 179.271 177.300 -0.101 0.000 1.150 159 P CA 1.337 64.326 63.100 -0.185 0.000 0.832 159 P CB -0.168 31.513 31.700 -0.033 0.000 0.787 160 I N -0.268 120.268 120.570 -0.056 0.000 2.286 160 I HA -0.193 3.985 4.170 0.012 0.000 0.248 160 I C 2.270 178.401 176.117 0.024 0.000 1.115 160 I CA 1.549 62.845 61.300 -0.005 0.000 1.392 160 I CB -0.408 37.577 38.000 -0.025 0.000 1.065 160 I HN -0.243 nan 8.210 nan 0.000 0.418 161 R N -0.143 120.331 120.500 -0.044 0.000 2.115 161 R HA -0.025 4.323 4.340 0.012 0.000 0.230 161 R C 2.303 178.555 176.300 -0.081 0.000 1.111 161 R CA 1.566 57.638 56.100 -0.046 0.000 0.976 161 R CB -0.305 29.967 30.300 -0.045 0.000 0.870 161 R HN 0.381 nan 8.270 nan 0.000 0.445 162 I N -0.262 120.204 120.570 -0.172 0.000 2.315 162 I HA -0.265 3.912 4.170 0.012 0.000 0.248 162 I C 1.963 178.041 176.117 -0.065 0.000 1.117 162 I CA 0.993 62.187 61.300 -0.177 0.000 1.404 162 I CB -0.168 37.640 38.000 -0.320 0.000 1.071 162 I HN 0.106 nan 8.210 nan 0.000 0.419 163 F N 1.305 121.185 119.950 -0.117 0.000 2.134 163 F HA -0.262 4.272 4.527 0.012 0.000 0.299 163 F C 2.455 178.230 175.800 -0.040 0.000 1.097 163 F CA 1.588 59.546 58.000 -0.069 0.000 1.264 163 F CB -0.092 38.872 39.000 -0.060 0.000 1.001 163 F HN -0.059 nan 8.300 nan 0.000 0.479 164 M N -0.266 119.339 119.600 0.007 0.000 2.159 164 M HA -0.143 4.345 4.480 0.012 0.000 0.263 164 M C 2.266 178.484 176.300 -0.137 0.000 1.063 164 M CA 1.258 56.528 55.300 -0.050 0.000 1.110 164 M CB -1.708 30.915 32.600 0.039 0.000 1.374 164 M HN 0.375 nan 8.290 nan 0.000 0.411 165 L N 0.597 121.748 121.223 -0.120 0.000 1.994 165 L HA -0.138 4.209 4.340 0.012 0.000 0.208 165 L C 2.298 179.071 176.870 -0.162 0.000 1.071 165 L CA 1.547 56.320 54.840 -0.113 0.000 0.745 165 L CB -0.988 41.020 42.059 -0.086 0.000 0.892 165 L HN 0.214 nan 8.230 nan 0.000 0.431 166 L N 0.017 121.106 121.223 -0.224 0.000 2.042 166 L HA -0.078 4.269 4.340 0.012 0.000 0.210 166 L C 2.216 178.896 176.870 -0.317 0.000 1.076 166 L CA 2.089 56.781 54.840 -0.246 0.000 0.749 166 L CB -0.740 41.163 42.059 -0.260 0.000 0.893 166 L HN 0.342 nan 8.230 nan 0.000 0.432 167 A N -1.392 121.127 122.820 -0.501 0.000 2.308 167 A HA 0.426 4.753 4.320 0.012 0.000 0.217 167 A C 1.478 178.922 177.584 -0.233 0.000 1.216 167 A CA 0.418 52.176 52.037 -0.466 0.000 0.864 167 A CB -0.708 17.767 19.000 -0.874 0.000 0.902 167 A HN 0.719 nan 8.150 nan 0.000 0.499 168 G N -0.160 108.534 108.800 -0.177 0.000 2.314 168 G HA2 -0.209 3.758 3.960 0.012 0.000 0.292 168 G HA3 -0.209 3.758 3.960 0.012 0.000 0.292 168 G C -0.155 174.712 174.900 -0.055 0.000 1.059 168 G CA 0.588 45.631 45.100 -0.095 0.000 0.982 168 G HN 0.480 nan 8.290 nan 0.000 0.505 169 L N 0.571 121.771 121.223 -0.039 0.000 2.331 169 L HA 0.589 4.936 4.340 0.012 0.000 0.275 169 L C -1.563 175.338 176.870 0.052 0.000 1.022 169 L CA -2.474 52.392 54.840 0.044 0.000 0.812 169 L CB 1.938 44.080 42.059 0.138 0.000 1.257 169 L HN 0.002 nan 8.230 nan 0.000 0.435 170 P HA 0.077 nan 4.420 nan 0.000 0.275 170 P C -0.041 177.298 177.300 0.064 0.000 1.228 170 P CA -0.456 62.679 63.100 0.057 0.000 0.786 170 P CB 0.722 32.457 31.700 0.059 0.000 0.927 171 E N 1.345 121.570 120.200 0.042 0.000 2.265 171 E HA -0.227 4.130 4.350 0.012 0.000 0.196 171 E C 0.735 177.359 176.600 0.040 0.000 0.996 171 E CA 1.152 57.574 56.400 0.038 0.000 0.832 171 E CB -0.368 29.347 29.700 0.025 0.000 0.756 171 E HN 0.376 nan 8.360 nan 0.000 0.491 172 E N 1.169 121.395 120.200 0.043 0.000 2.267 172 E HA -0.160 4.197 4.350 0.012 0.000 0.197 172 E C 1.129 177.761 176.600 0.052 0.000 0.998 172 E CA 1.375 57.800 56.400 0.041 0.000 0.830 172 E CB -0.018 29.706 29.700 0.039 0.000 0.751 172 E HN 0.330 nan 8.360 nan 0.000 0.491 173 D N -0.529 119.916 120.400 0.075 0.000 2.355 173 D HA 0.032 4.679 4.640 0.012 0.000 0.218 173 D C 1.554 177.865 176.300 0.018 0.000 1.004 173 D CA 0.187 54.232 54.000 0.075 0.000 0.880 173 D CB 0.052 40.950 40.800 0.163 0.000 0.911 173 D HN 0.223 nan 8.370 nan 0.000 0.528 174 I N 1.464 122.051 120.570 0.027 0.000 2.127 174 I HA -0.213 3.965 4.170 0.012 0.000 0.241 174 I C -0.579 175.538 176.117 0.000 0.000 1.075 174 I CA 1.246 62.551 61.300 0.009 0.000 1.334 174 I CB -1.215 36.795 38.000 0.017 0.000 1.040 174 I HN 0.006 nan 8.210 nan 0.000 0.405 175 P HA -0.212 nan 4.420 nan 0.000 0.215 175 P C 1.458 178.796 177.300 0.064 0.000 1.153 175 P CA 1.696 64.818 63.100 0.036 0.000 0.853 175 P CB -0.100 31.620 31.700 0.033 0.000 0.788 176 H N -0.933 118.110 119.070 -0.045 0.000 2.363 176 H HA -0.049 4.515 4.556 0.012 0.000 0.301 176 H C 1.784 177.069 175.328 -0.073 0.000 1.074 176 H CA 1.104 57.122 56.048 -0.050 0.000 1.354 176 H CB -0.902 28.806 29.762 -0.090 0.000 1.397 176 H HN -0.135 nan 8.280 nan 0.000 0.516 177 L N 0.663 121.729 121.223 -0.262 0.000 2.046 177 L HA -0.058 4.289 4.340 0.012 0.000 0.208 177 L C 2.255 178.980 176.870 -0.242 0.000 1.077 177 L CA 1.840 56.463 54.840 -0.362 0.000 0.747 177 L CB -0.747 41.117 42.059 -0.324 0.000 0.896 177 L HN 0.175 nan 8.230 nan 0.000 0.432 178 K N -1.461 118.859 120.400 -0.134 0.000 2.097 178 K HA -0.270 4.058 4.320 0.012 0.000 0.206 178 K C 2.183 178.729 176.600 -0.090 0.000 1.049 178 K CA 1.688 57.917 56.287 -0.095 0.000 0.933 178 K CB -0.763 31.713 32.500 -0.040 0.000 0.717 178 K HN 0.397 nan 8.250 nan 0.000 0.442 179 Y N 0.756 120.956 120.300 -0.166 0.000 2.181 179 Y HA -0.162 4.395 4.550 0.012 0.000 0.288 179 Y C 1.578 177.365 175.900 -0.188 0.000 1.146 179 Y CA 1.866 59.877 58.100 -0.149 0.000 1.164 179 Y CB -0.124 38.263 38.460 -0.122 0.000 0.982 179 Y HN 0.012 nan 8.280 nan 0.000 0.515 180 L N -0.647 120.413 121.223 -0.271 0.000 2.017 180 L HA -0.223 4.125 4.340 0.012 0.000 0.208 180 L C 2.623 179.308 176.870 -0.308 0.000 1.073 180 L CA 1.972 56.616 54.840 -0.327 0.000 0.745 180 L CB -1.325 40.529 42.059 -0.342 0.000 0.894 180 L HN 0.357 nan 8.230 nan 0.000 0.432 181 T N -3.879 110.522 114.554 -0.256 0.000 2.788 181 T HA -0.178 4.179 4.350 0.012 0.000 0.268 181 T C 1.507 176.103 174.700 -0.174 0.000 1.044 181 T CA 1.313 63.298 62.100 -0.192 0.000 1.139 181 T CB -0.386 68.375 68.868 -0.178 0.000 0.867 181 T HN 0.175 nan 8.240 nan 0.000 0.454 182 D N 1.198 121.467 120.400 -0.219 0.000 2.182 182 D HA -0.078 4.569 4.640 0.012 0.000 0.201 182 D C 2.405 178.558 176.300 -0.245 0.000 0.986 182 D CA 0.906 54.781 54.000 -0.210 0.000 0.847 182 D CB -0.247 40.416 40.800 -0.228 0.000 0.942 182 D HN 0.361 nan 8.370 nan 0.000 0.467 183 Q N -0.455 119.128 119.800 -0.363 0.000 2.230 183 Q HA 0.051 4.398 4.340 0.012 0.000 0.202 183 Q C 2.146 178.066 176.000 -0.134 0.000 0.963 183 Q CA 0.524 56.144 55.803 -0.306 0.000 0.866 183 Q CB -0.245 28.256 28.738 -0.395 0.000 0.931 183 Q HN 0.437 nan 8.270 nan 0.000 0.452 184 M N -0.264 119.275 119.600 -0.101 0.000 2.419 184 M HA -0.068 4.419 4.480 0.012 0.000 0.264 184 M C 1.610 178.012 176.300 0.169 0.000 1.082 184 M CA 1.638 56.995 55.300 0.094 0.000 1.119 184 M CB 0.084 32.714 32.600 0.049 0.000 1.398 184 M HN 0.244 nan 8.290 nan 0.000 0.453 185 T N -3.264 111.313 114.554 0.038 0.000 2.964 185 T HA 0.233 4.591 4.350 0.012 0.000 0.249 185 T C 0.979 175.669 174.700 -0.016 0.000 1.000 185 T CA -0.316 61.793 62.100 0.016 0.000 0.992 185 T CB 0.278 69.153 68.868 0.011 0.000 1.087 185 T HN 0.235 nan 8.240 nan 0.000 0.489 186 R N 2.264 122.739 120.500 -0.041 0.000 2.674 186 R HA 0.325 4.673 4.340 0.012 0.000 0.270 186 R C -2.971 173.288 176.300 -0.069 0.000 1.492 186 R CA -1.482 54.590 56.100 -0.047 0.000 1.624 186 R CB 1.155 31.430 30.300 -0.043 0.000 1.307 186 R HN 0.347 nan 8.270 nan 0.000 0.683 187 P HA -0.001 nan 4.420 nan 0.000 0.268 187 P C -0.323 176.949 177.300 -0.046 0.000 1.204 187 P CA 0.123 63.180 63.100 -0.071 0.000 0.768 187 P CB 0.949 32.627 31.700 -0.036 0.000 0.842 188 D N 1.353 121.729 120.400 -0.040 0.000 2.349 188 D HA 0.113 4.760 4.640 0.012 0.000 0.215 188 D C 1.382 177.694 176.300 0.020 0.000 1.016 188 D CA 0.562 54.566 54.000 0.006 0.000 0.870 188 D CB -0.253 40.576 40.800 0.048 0.000 0.917 188 D HN 0.595 nan 8.370 nan 0.000 0.524 189 G N -0.633 108.176 108.800 0.014 0.000 2.231 189 G HA2 -0.300 3.667 3.960 0.012 0.000 0.206 189 G HA3 -0.300 3.667 3.960 0.012 0.000 0.206 189 G C 1.341 176.263 174.900 0.037 0.000 0.996 189 G CA 0.261 45.373 45.100 0.020 0.000 0.645 189 G HN 0.262 nan 8.290 nan 0.000 0.498 190 S N 0.033 115.773 115.700 0.068 0.000 2.423 190 S HA 0.307 4.784 4.470 0.012 0.000 0.231 190 S C 0.937 175.582 174.600 0.075 0.000 1.014 190 S CA 1.219 59.476 58.200 0.094 0.000 0.965 190 S CB -0.071 63.240 63.200 0.186 0.000 0.785 190 S HN 0.588 nan 8.310 nan 0.000 0.495 191 M N 1.119 120.748 119.600 0.049 0.000 2.378 191 M HA 0.244 4.731 4.480 0.012 0.000 0.289 191 M C -0.277 176.023 176.300 -0.001 0.000 1.136 191 M CA -0.534 54.778 55.300 0.020 0.000 0.917 191 M CB 2.308 34.911 32.600 0.005 0.000 1.669 191 M HN 0.029 nan 8.290 nan 0.000 0.461 192 T N -1.232 113.326 114.554 0.007 0.000 2.813 192 T HA 0.192 4.550 4.350 0.012 0.000 0.297 192 T C 0.811 175.527 174.700 0.027 0.000 1.036 192 T CA -0.324 61.794 62.100 0.030 0.000 1.044 192 T CB 0.784 69.677 68.868 0.042 0.000 0.993 192 T HN 0.586 nan 8.240 nan 0.000 0.535 193 F N 1.550 121.465 119.950 -0.059 0.000 2.091 193 F HA -0.057 4.477 4.527 0.012 0.000 0.299 193 F C 2.563 178.312 175.800 -0.084 0.000 1.103 193 F CA 2.026 59.982 58.000 -0.074 0.000 1.228 193 F CB -0.954 38.009 39.000 -0.063 0.000 0.984 193 F HN 0.740 nan 8.300 nan 0.000 0.477 194 A N -0.154 122.703 122.820 0.062 0.000 1.933 194 A HA -0.195 4.133 4.320 0.012 0.000 0.218 194 A C 2.110 179.617 177.584 -0.128 0.000 1.175 194 A CA 1.845 53.864 52.037 -0.029 0.000 0.628 194 A CB -0.850 18.188 19.000 0.065 0.000 0.814 194 A HN 0.575 nan 8.150 nan 0.000 0.444 195 E N -0.324 119.824 120.200 -0.087 0.000 2.072 195 E HA -0.080 4.277 4.350 0.012 0.000 0.191 195 E C 2.336 178.853 176.600 -0.139 0.000 0.985 195 E CA 0.892 57.246 56.400 -0.077 0.000 0.801 195 E CB -0.268 29.415 29.700 -0.027 0.000 0.750 195 E HN 0.618 nan 8.360 nan 0.000 0.452 196 A N 1.775 124.465 122.820 -0.217 0.000 1.902 196 A HA -0.232 4.095 4.320 0.012 0.000 0.217 196 A C 2.072 179.422 177.584 -0.390 0.000 1.181 196 A CA 1.589 53.458 52.037 -0.280 0.000 0.623 196 A CB -0.384 18.419 19.000 -0.328 0.000 0.818 196 A HN 0.059 nan 8.150 nan 0.000 0.443 197 K N -0.613 119.435 120.400 -0.587 0.000 2.026 197 K HA -0.187 4.140 4.320 0.012 0.000 0.208 197 K C 1.809 178.027 176.600 -0.637 0.000 1.048 197 K CA 1.577 57.429 56.287 -0.725 0.000 0.929 197 K CB -0.138 31.834 32.500 -0.880 0.000 0.713 197 K HN 0.354 nan 8.250 nan 0.000 0.439 198 E N 0.283 120.287 120.200 -0.326 0.000 2.106 198 E HA -0.131 4.227 4.350 0.012 0.000 0.192 198 E C 1.882 178.461 176.600 -0.035 0.000 0.984 198 E CA 1.055 57.394 56.400 -0.102 0.000 0.806 198 E CB -0.177 29.518 29.700 -0.008 0.000 0.750 198 E HN 0.429 nan 8.360 nan 0.000 0.458 199 A N 1.187 123.967 122.820 -0.066 0.000 1.933 199 A HA -0.152 4.175 4.320 0.012 0.000 0.218 199 A C 2.231 179.838 177.584 0.038 0.000 1.175 199 A CA 1.182 53.232 52.037 0.021 0.000 0.628 199 A CB -0.539 18.474 19.000 0.021 0.000 0.814 199 A HN 0.255 nan 8.150 nan 0.000 0.444 200 L N -1.342 119.819 121.223 -0.104 0.000 2.046 200 L HA -0.146 4.202 4.340 0.012 0.000 0.208 200 L C 2.241 179.202 176.870 0.152 0.000 1.077 200 L CA 1.946 56.754 54.840 -0.054 0.000 0.747 200 L CB -0.875 41.054 42.059 -0.217 0.000 0.896 200 L HN 0.453 nan 8.230 nan 0.000 0.432 201 Y N 0.053 120.406 120.300 0.089 0.000 2.242 201 Y HA -0.163 4.394 4.550 0.012 0.000 0.291 201 Y C 2.487 178.441 175.900 0.090 0.000 1.137 201 Y CA 0.838 58.989 58.100 0.085 0.000 1.181 201 Y CB -1.179 37.311 38.460 0.050 0.000 0.989 201 Y HN 0.288 nan 8.280 nan 0.000 0.527 202 D N -1.087 119.459 120.400 0.243 0.000 2.149 202 D HA -0.237 4.410 4.640 0.012 0.000 0.198 202 D C 2.021 178.443 176.300 0.204 0.000 0.990 202 D CA 1.417 55.527 54.000 0.182 0.000 0.839 202 D CB -0.640 40.253 40.800 0.155 0.000 0.948 202 D HN 0.422 nan 8.370 nan 0.000 0.460 203 Y N 0.976 121.350 120.300 0.124 0.000 2.184 203 Y HA -0.041 4.516 4.550 0.012 0.000 0.290 203 Y C 2.166 178.134 175.900 0.114 0.000 1.129 203 Y CA 1.158 59.331 58.100 0.121 0.000 1.144 203 Y CB -0.328 38.215 38.460 0.138 0.000 0.995 203 Y HN -0.117 nan 8.280 nan 0.000 0.513 204 L N -0.540 120.759 121.223 0.126 0.000 2.109 204 L HA -0.145 4.202 4.340 0.012 0.000 0.207 204 L C 2.367 179.226 176.870 -0.018 0.000 1.086 204 L CA 0.943 55.795 54.840 0.022 0.000 0.760 204 L CB -0.468 41.712 42.059 0.202 0.000 0.910 204 L HN 0.247 nan 8.230 nan 0.000 0.437 205 I N 0.178 120.768 120.570 0.033 0.000 2.127 205 I HA -0.235 3.943 4.170 0.012 0.000 0.241 205 I C -0.348 175.753 176.117 -0.026 0.000 1.075 205 I CA 1.681 62.985 61.300 0.006 0.000 1.334 205 I CB -1.269 36.745 38.000 0.024 0.000 1.040 205 I HN 0.207 nan 8.210 nan 0.000 0.405 206 P HA -0.133 nan 4.420 nan 0.000 0.217 206 P C 1.776 179.032 177.300 -0.074 0.000 1.150 206 P CA 1.562 64.631 63.100 -0.051 0.000 0.832 206 P CB -0.044 31.623 31.700 -0.055 0.000 0.787 207 I N -1.442 119.056 120.570 -0.121 0.000 2.286 207 I HA -0.187 3.990 4.170 0.012 0.000 0.245 207 I C 2.299 178.375 176.117 -0.069 0.000 1.104 207 I CA 1.207 62.434 61.300 -0.121 0.000 1.397 207 I CB -0.597 37.282 38.000 -0.201 0.000 1.072 207 I HN -0.153 nan 8.210 nan 0.000 0.417 208 I N 0.725 121.264 120.570 -0.052 0.000 2.163 208 I HA -0.280 3.898 4.170 0.012 0.000 0.243 208 I C 2.626 178.728 176.117 -0.025 0.000 1.085 208 I CA 1.383 62.667 61.300 -0.026 0.000 1.347 208 I CB -0.407 37.585 38.000 -0.013 0.000 1.044 208 I HN 0.249 nan 8.210 nan 0.000 0.408 209 E N 0.352 120.536 120.200 -0.027 0.000 2.051 209 E HA -0.302 4.056 4.350 0.012 0.000 0.192 209 E C 2.059 178.646 176.600 -0.022 0.000 0.991 209 E CA 1.256 57.644 56.400 -0.021 0.000 0.799 209 E CB -0.467 29.221 29.700 -0.019 0.000 0.748 209 E HN 0.594 nan 8.360 nan 0.000 0.449 210 Q N 0.794 120.577 119.800 -0.029 0.000 2.084 210 Q HA -0.131 4.216 4.340 0.012 0.000 0.202 210 Q C 2.018 178.003 176.000 -0.025 0.000 0.978 210 Q CA 1.312 57.098 55.803 -0.028 0.000 0.844 210 Q CB 0.077 28.795 28.738 -0.035 0.000 0.898 210 Q HN 0.124 nan 8.270 nan 0.000 0.426 211 R N -0.595 119.888 120.500 -0.028 0.000 2.275 211 R HA 0.049 4.396 4.340 0.012 0.000 0.199 211 R C 2.156 178.444 176.300 -0.020 0.000 0.989 211 R CA 0.232 56.317 56.100 -0.025 0.000 1.016 211 R CB 0.023 30.305 30.300 -0.029 0.000 0.918 211 R HN 0.148 nan 8.270 nan 0.000 0.473 212 R N 0.562 121.052 120.500 -0.017 0.000 2.115 212 R HA -0.064 4.284 4.340 0.012 0.000 0.226 212 R C 1.678 177.970 176.300 -0.014 0.000 1.100 212 R CA 1.064 57.156 56.100 -0.013 0.000 0.980 212 R CB 0.293 30.586 30.300 -0.011 0.000 0.875 212 R HN 0.195 nan 8.270 nan 0.000 0.445 213 Q N -0.149 119.643 119.800 -0.015 0.000 2.163 213 Q HA -0.022 4.326 4.340 0.012 0.000 0.198 213 Q C 0.399 176.391 176.000 -0.014 0.000 0.954 213 Q CA 0.948 56.743 55.803 -0.013 0.000 0.851 213 Q CB 0.366 29.096 28.738 -0.013 0.000 0.928 213 Q HN 0.027 nan 8.270 nan 0.000 0.459 214 K N 1.563 121.954 120.400 -0.016 0.000 2.827 214 K HA 0.246 4.573 4.320 0.012 0.000 0.186 214 K C -2.647 173.942 176.600 -0.019 0.000 1.093 214 K CA -1.562 54.715 56.287 -0.016 0.000 0.993 214 K CB 1.302 33.793 32.500 -0.016 0.000 1.199 214 K HN -0.099 nan 8.250 nan 0.000 0.598 215 P HA 0.192 nan 4.420 nan 0.000 0.278 215 P C -0.139 177.148 177.300 -0.022 0.000 1.238 215 P CA -0.133 62.955 63.100 -0.020 0.000 0.794 215 P CB 1.731 33.420 31.700 -0.018 0.000 0.955 216 G N 0.576 109.361 108.800 -0.025 0.000 2.857 216 G HA2 0.457 4.424 3.960 0.012 0.000 0.217 216 G HA3 0.457 4.424 3.960 0.012 0.000 0.217 216 G C 0.438 175.321 174.900 -0.028 0.000 1.357 216 G CA -0.260 44.824 45.100 -0.027 0.000 1.033 216 G HN 0.479 nan 8.290 nan 0.000 0.571 217 T N -1.381 113.154 114.554 -0.031 0.000 3.092 217 T HA 0.193 4.550 4.350 0.012 0.000 0.258 217 T C 0.438 175.113 174.700 -0.042 0.000 1.031 217 T CA 0.179 62.259 62.100 -0.032 0.000 0.925 217 T CB -0.293 68.558 68.868 -0.029 0.000 1.036 217 T HN 0.591 nan 8.240 nan 0.000 0.544 218 D N 1.081 121.450 120.400 -0.051 0.000 2.371 218 D HA 0.305 4.952 4.640 0.012 0.000 0.242 218 D C 1.461 177.718 176.300 -0.071 0.000 1.218 218 D CA -0.135 53.821 54.000 -0.073 0.000 0.945 218 D CB 1.325 42.074 40.800 -0.085 0.000 1.137 218 D HN 0.097 nan 8.370 nan 0.000 0.464 219 A N 1.074 123.834 122.820 -0.100 0.000 1.908 219 A HA -0.152 4.175 4.320 0.012 0.000 0.218 219 A C 2.391 179.949 177.584 -0.044 0.000 1.181 219 A CA 1.165 53.157 52.037 -0.076 0.000 0.627 219 A CB -0.767 18.166 19.000 -0.111 0.000 0.818 219 A HN 0.664 nan 8.150 nan 0.000 0.445 220 I N -0.447 120.090 120.570 -0.055 0.000 2.202 220 I HA -0.218 3.960 4.170 0.012 0.000 0.242 220 I C 2.709 178.817 176.117 -0.016 0.000 1.091 220 I CA 1.375 62.664 61.300 -0.018 0.000 1.368 220 I CB -0.394 37.595 38.000 -0.018 0.000 1.058 220 I HN 0.225 nan 8.210 nan 0.000 0.410 221 S N 1.022 116.705 115.700 -0.029 0.000 2.365 221 S HA -0.183 4.295 4.470 0.012 0.000 0.225 221 S C 2.007 176.597 174.600 -0.016 0.000 1.039 221 S CA 1.560 59.745 58.200 -0.024 0.000 1.033 221 S CB -0.388 62.794 63.200 -0.029 0.000 0.887 221 S HN 0.328 nan 8.310 nan 0.000 0.447 222 I N 0.821 121.380 120.570 -0.017 0.000 2.252 222 I HA -0.122 4.056 4.170 0.012 0.000 0.245 222 I C 2.191 178.308 176.117 0.000 0.000 1.102 222 I CA 0.764 62.057 61.300 -0.012 0.000 1.385 222 I CB -0.430 37.561 38.000 -0.015 0.000 1.064 222 I HN 0.131 nan 8.210 nan 0.000 0.414 223 V N 1.077 120.998 119.914 0.011 0.000 2.295 223 V HA -0.303 3.825 4.120 0.012 0.000 0.246 223 V C 2.710 178.821 176.094 0.028 0.000 1.049 223 V CA 2.076 64.395 62.300 0.031 0.000 1.024 223 V CB -0.989 30.863 31.823 0.049 0.000 0.648 223 V HN 0.505 nan 8.190 nan 0.000 0.447 224 A N 0.134 122.963 122.820 0.016 0.000 2.019 224 A HA -0.211 4.116 4.320 0.012 0.000 0.219 224 A C 1.795 179.382 177.584 0.005 0.000 1.164 224 A CA 2.137 54.180 52.037 0.010 0.000 0.644 224 A CB -0.666 18.334 19.000 -0.000 0.000 0.805 224 A HN 0.691 nan 8.150 nan 0.000 0.449 225 N N -0.553 118.147 118.700 -0.001 0.000 2.268 225 N HA 0.282 5.029 4.740 0.012 0.000 0.204 225 N C 0.749 176.253 175.510 -0.010 0.000 1.124 225 N CA 0.288 53.333 53.050 -0.007 0.000 0.838 225 N CB 0.468 38.948 38.487 -0.011 0.000 0.994 225 N HN 0.437 nan 8.380 nan 0.000 0.489 226 G N -0.183 108.614 108.800 -0.005 0.000 2.634 226 G HA2 0.163 4.130 3.960 0.012 0.000 0.255 226 G HA3 0.163 4.130 3.960 0.012 0.000 0.255 226 G C -0.327 174.554 174.900 -0.031 0.000 1.205 226 G CA -0.317 44.773 45.100 -0.017 0.000 0.884 226 G HN 0.045 nan 8.290 nan 0.000 0.549 227 Q N -0.678 119.087 119.800 -0.058 0.000 2.316 227 Q HA 0.473 4.820 4.340 0.012 0.000 0.264 227 Q C -1.015 174.903 176.000 -0.136 0.000 0.987 227 Q CA -0.535 55.223 55.803 -0.075 0.000 0.852 227 Q CB 2.436 31.134 28.738 -0.065 0.000 1.287 227 Q HN 0.257 nan 8.270 nan 0.000 0.448 228 V N 3.179 123.006 119.914 -0.144 0.000 2.531 228 V HA 0.274 4.402 4.120 0.012 0.000 0.301 228 V C 0.097 176.103 176.094 -0.147 0.000 1.034 228 V CA -0.888 61.267 62.300 -0.242 0.000 0.865 228 V CB 1.595 33.233 31.823 -0.308 0.000 0.995 228 V HN 0.826 nan 8.190 nan 0.000 0.424 229 N N 3.575 122.186 118.700 -0.149 0.000 2.735 229 N HA -0.207 4.540 4.740 0.012 0.000 0.248 229 N C 1.237 176.711 175.510 -0.060 0.000 1.083 229 N CA 1.609 54.608 53.050 -0.086 0.000 0.703 229 N CB -1.094 37.361 38.487 -0.054 0.000 1.005 229 N HN 1.629 nan 8.380 nan 0.000 0.550 230 G N -1.374 107.386 108.800 -0.065 0.000 2.189 230 G HA2 -0.405 3.562 3.960 0.012 0.000 0.267 230 G HA3 -0.405 3.562 3.960 0.012 0.000 0.267 230 G C 0.217 175.094 174.900 -0.039 0.000 0.975 230 G CA 1.375 46.447 45.100 -0.047 0.000 0.644 230 G HN 0.884 nan 8.290 nan 0.000 0.537 231 R N -0.727 119.748 120.500 -0.041 0.000 2.902 231 R HA 0.804 5.152 4.340 0.012 0.000 0.258 231 R C -3.134 173.148 176.300 -0.030 0.000 1.071 231 R CA -2.584 53.499 56.100 -0.028 0.000 1.024 231 R CB -0.034 30.255 30.300 -0.017 0.000 1.184 231 R HN 0.066 nan 8.270 nan 0.000 0.492 232 P HA 0.042 nan 4.420 nan 0.000 0.269 232 P C -0.254 177.044 177.300 -0.003 0.000 1.209 232 P CA -0.247 62.845 63.100 -0.013 0.000 0.776 232 P CB 0.451 32.146 31.700 -0.007 0.000 0.876 233 I N 1.969 122.541 120.570 0.004 0.000 2.752 233 I HA 0.018 4.195 4.170 0.012 0.000 0.287 233 I C 0.722 176.864 176.117 0.042 0.000 1.188 233 I CA 0.240 61.565 61.300 0.041 0.000 1.427 233 I CB 0.580 38.617 38.000 0.061 0.000 1.365 233 I HN 0.413 nan 8.210 nan 0.000 0.585 234 T N 2.326 116.916 114.554 0.060 0.000 2.849 234 T HA 0.100 4.458 4.350 0.012 0.000 0.284 234 T C 1.126 175.837 174.700 0.018 0.000 1.004 234 T CA -0.065 62.055 62.100 0.032 0.000 1.021 234 T CB 1.633 70.519 68.868 0.031 0.000 1.013 234 T HN 0.729 nan 8.240 nan 0.000 0.527 235 S N 0.342 116.040 115.700 -0.004 0.000 2.370 235 S HA -0.226 4.251 4.470 0.012 0.000 0.226 235 S C 1.672 176.236 174.600 -0.060 0.000 1.033 235 S CA 2.154 60.339 58.200 -0.025 0.000 1.011 235 S CB -1.003 62.180 63.200 -0.028 0.000 0.852 235 S HN 0.926 nan 8.310 nan 0.000 0.457 236 D N 0.178 120.537 120.400 -0.068 0.000 2.104 236 D HA -0.134 4.513 4.640 0.012 0.000 0.194 236 D C 2.011 178.243 176.300 -0.115 0.000 0.994 236 D CA 1.715 55.643 54.000 -0.120 0.000 0.830 236 D CB -0.236 40.514 40.800 -0.082 0.000 0.959 236 D HN 0.647 nan 8.370 nan 0.000 0.452 237 E N -0.171 120.009 120.200 -0.034 0.000 2.072 237 E HA -0.118 4.240 4.350 0.012 0.000 0.191 237 E C 2.162 178.769 176.600 0.012 0.000 0.985 237 E CA 0.914 57.311 56.400 -0.005 0.000 0.801 237 E CB -0.166 29.628 29.700 0.157 0.000 0.750 237 E HN 0.380 nan 8.360 nan 0.000 0.452 238 A N 2.348 125.183 122.820 0.026 0.000 1.902 238 A HA -0.251 4.077 4.320 0.012 0.000 0.217 238 A C 2.109 179.698 177.584 0.009 0.000 1.181 238 A CA 1.929 53.986 52.037 0.034 0.000 0.623 238 A CB -0.503 18.513 19.000 0.027 0.000 0.818 238 A HN 0.248 nan 8.150 nan 0.000 0.443 239 K N -0.564 119.800 120.400 -0.060 0.000 2.097 239 K HA -0.094 4.233 4.320 0.012 0.000 0.205 239 K C 1.964 178.559 176.600 -0.007 0.000 1.050 239 K CA 1.363 57.603 56.287 -0.078 0.000 0.938 239 K CB -0.262 32.061 32.500 -0.295 0.000 0.718 239 K HN 0.352 nan 8.250 nan 0.000 0.442 240 R N 0.239 120.696 120.500 -0.072 0.000 2.115 240 R HA 0.063 4.410 4.340 0.012 0.000 0.226 240 R C 2.431 178.802 176.300 0.119 0.000 1.100 240 R CA 1.485 57.655 56.100 0.117 0.000 0.980 240 R CB -0.231 30.073 30.300 0.007 0.000 0.875 240 R HN 0.314 nan 8.270 nan 0.000 0.445 241 M N -0.137 119.485 119.600 0.038 0.000 2.123 241 M HA -0.160 4.328 4.480 0.012 0.000 0.263 241 M C 1.876 178.189 176.300 0.022 0.000 1.069 241 M CA 1.575 56.895 55.300 0.034 0.000 1.133 241 M CB -0.011 32.634 32.600 0.076 0.000 1.356 241 M HN 0.233 nan 8.290 nan 0.000 0.415 242 C N 0.633 119.968 119.300 0.059 0.000 2.425 242 C HA -0.065 4.403 4.460 0.012 0.000 0.277 242 C C 2.760 177.746 174.990 -0.006 0.000 1.280 242 C CA 0.982 60.060 59.018 0.101 0.000 1.744 242 C CB -1.966 25.868 27.740 0.156 0.000 1.989 242 C HN 0.819 nan 8.230 nan 0.000 0.491 243 G N 0.241 108.998 108.800 -0.072 0.000 2.418 243 G HA2 -0.209 3.758 3.960 0.012 0.000 0.217 243 G HA3 -0.209 3.758 3.960 0.012 0.000 0.217 243 G C 1.508 175.816 174.900 -0.987 0.000 1.158 243 G CA 0.923 45.772 45.100 -0.418 0.000 0.771 243 G HN 0.463 nan 8.290 nan 0.000 0.545 244 L N 0.354 121.078 121.223 -0.832 0.000 2.109 244 L HA 0.208 4.555 4.340 0.012 0.000 0.207 244 L C 2.657 179.365 176.870 -0.270 0.000 1.086 244 L CA 1.135 55.621 54.840 -0.589 0.000 0.760 244 L CB -0.357 41.593 42.059 -0.182 0.000 0.910 244 L HN 0.192 nan 8.230 nan 0.000 0.437 245 L N -1.292 119.848 121.223 -0.139 0.000 2.131 245 L HA -0.203 4.144 4.340 0.012 0.000 0.210 245 L C 2.374 179.196 176.870 -0.081 0.000 1.092 245 L CA 0.844 55.692 54.840 0.014 0.000 0.759 245 L CB -0.581 41.585 42.059 0.178 0.000 0.903 245 L HN 0.371 nan 8.230 nan 0.000 0.435 246 L N -0.630 120.334 121.223 -0.433 0.000 2.007 246 L HA -0.101 4.246 4.340 0.012 0.000 0.205 246 L C 2.313 178.878 176.870 -0.508 0.000 1.073 246 L CA 1.725 55.977 54.840 -0.981 0.000 0.744 246 L CB -0.428 40.936 42.059 -1.158 0.000 0.898 246 L HN -0.088 nan 8.230 nan 0.000 0.435 247 V N 0.363 120.039 119.914 -0.396 0.000 2.427 247 V HA -0.096 4.032 4.120 0.012 0.000 0.248 247 V C 2.635 178.681 176.094 -0.081 0.000 1.051 247 V CA 1.477 63.655 62.300 -0.202 0.000 1.048 247 V CB -1.740 30.017 31.823 -0.111 0.000 0.666 247 V HN 0.624 nan 8.190 nan 0.000 0.456 248 G N 0.326 109.084 108.800 -0.070 0.000 2.448 248 G HA2 -0.105 3.862 3.960 0.012 0.000 0.219 248 G HA3 -0.105 3.862 3.960 0.012 0.000 0.219 248 G C 1.365 176.285 174.900 0.034 0.000 1.127 248 G CA 0.875 45.989 45.100 0.024 0.000 0.766 248 G HN 0.626 nan 8.290 nan 0.000 0.552 249 G N -0.454 108.347 108.800 0.002 0.000 3.233 249 G HA2 0.388 4.355 3.960 0.012 0.000 0.234 249 G HA3 0.388 4.355 3.960 0.012 0.000 0.234 249 G C 1.262 176.177 174.900 0.025 0.000 1.137 249 G CA -0.199 44.920 45.100 0.033 0.000 0.763 249 G HN 0.365 nan 8.290 nan 0.000 0.549 250 L N -0.471 120.751 121.223 -0.001 0.000 2.370 250 L HA 0.198 4.546 4.340 0.012 0.000 0.191 250 L C 2.087 178.977 176.870 0.032 0.000 1.203 250 L CA 0.379 55.216 54.840 -0.005 0.000 0.825 250 L CB -0.413 41.614 42.059 -0.053 0.000 1.048 250 L HN -0.080 nan 8.230 nan 0.000 0.487 251 D N 0.250 120.668 120.400 0.028 0.000 2.144 251 D HA -0.158 4.489 4.640 0.012 0.000 0.199 251 D C 2.168 178.514 176.300 0.077 0.000 0.984 251 D CA 1.918 55.942 54.000 0.041 0.000 0.834 251 D CB -0.298 40.522 40.800 0.033 0.000 0.955 251 D HN 0.424 nan 8.370 nan 0.000 0.465 252 T N -1.181 113.428 114.554 0.092 0.000 2.652 252 T HA -0.152 4.205 4.350 0.012 0.000 0.267 252 T C 2.198 177.011 174.700 0.189 0.000 1.039 252 T CA 1.420 63.596 62.100 0.126 0.000 1.153 252 T CB -0.879 68.055 68.868 0.110 0.000 0.863 252 T HN 0.002 nan 8.240 nan 0.000 0.428 253 V N 1.341 121.364 119.914 0.182 0.000 2.358 253 V HA -0.112 4.015 4.120 0.012 0.000 0.246 253 V C 2.971 179.215 176.094 0.251 0.000 1.047 253 V CA 1.244 63.696 62.300 0.253 0.000 1.035 253 V CB -0.762 31.195 31.823 0.223 0.000 0.658 253 V HN 0.382 nan 8.190 nan 0.000 0.452 254 V N 0.798 120.807 119.914 0.158 0.000 2.287 254 V HA -0.267 3.861 4.120 0.012 0.000 0.248 254 V C 2.312 178.451 176.094 0.075 0.000 1.053 254 V CA 2.325 64.689 62.300 0.107 0.000 1.027 254 V CB -0.759 31.088 31.823 0.040 0.000 0.646 254 V HN 0.587 nan 8.190 nan 0.000 0.447 255 N N -0.792 117.937 118.700 0.049 0.000 2.250 255 N HA -0.092 4.655 4.740 0.012 0.000 0.181 255 N C 1.745 177.221 175.510 -0.056 0.000 1.017 255 N CA 1.295 54.285 53.050 -0.101 0.000 0.866 255 N CB -0.311 38.135 38.487 -0.068 0.000 0.985 255 N HN 0.508 nan 8.380 nan 0.000 0.429 256 F N 2.312 122.321 119.950 0.098 0.000 2.102 256 F HA -0.035 4.500 4.527 0.012 0.000 0.298 256 F C 2.156 178.038 175.800 0.136 0.000 1.105 256 F CA 0.996 59.115 58.000 0.199 0.000 1.239 256 F CB -0.425 38.661 39.000 0.144 0.000 0.991 256 F HN -0.097 nan 8.300 nan 0.000 0.474 257 L N -0.562 120.698 121.223 0.062 0.000 2.079 257 L HA -0.278 4.069 4.340 0.012 0.000 0.210 257 L C 2.519 179.323 176.870 -0.110 0.000 1.081 257 L CA 1.586 56.444 54.840 0.030 0.000 0.752 257 L CB -0.962 41.313 42.059 0.360 0.000 0.896 257 L HN 0.130 nan 8.230 nan 0.000 0.433 258 S N -0.446 115.227 115.700 -0.044 0.000 2.368 258 S HA -0.122 4.355 4.470 0.012 0.000 0.224 258 S C 1.752 176.118 174.600 -0.391 0.000 1.029 258 S CA 1.193 59.297 58.200 -0.161 0.000 0.988 258 S CB -0.348 62.757 63.200 -0.158 0.000 0.838 258 S HN 0.216 nan 8.310 nan 0.000 0.462 259 F N 2.273 121.979 119.950 -0.407 0.000 2.126 259 F HA -0.105 4.430 4.527 0.012 0.000 0.299 259 F C 2.777 178.055 175.800 -0.869 0.000 1.096 259 F CA 0.953 58.569 58.000 -0.639 0.000 1.255 259 F CB -0.990 37.618 39.000 -0.653 0.000 0.997 259 F HN 0.102 nan 8.300 nan 0.000 0.479 260 S N -0.447 114.872 115.700 -0.634 0.000 2.368 260 S HA -0.160 4.317 4.470 0.012 0.000 0.224 260 S C 2.097 176.486 174.600 -0.351 0.000 1.029 260 S CA 1.119 59.012 58.200 -0.513 0.000 0.988 260 S CB -0.225 62.670 63.200 -0.508 0.000 0.838 260 S HN 0.197 nan 8.310 nan 0.000 0.462 261 M N 1.223 120.512 119.600 -0.518 0.000 2.254 261 M HA 0.014 4.501 4.480 0.012 0.000 0.265 261 M C 2.183 178.282 176.300 -0.335 0.000 1.066 261 M CA 1.064 55.998 55.300 -0.610 0.000 1.123 261 M CB -1.148 30.612 32.600 -1.399 0.000 1.388 261 M HN 0.430 nan 8.290 nan 0.000 0.425 262 E N 0.019 120.043 120.200 -0.293 0.000 2.031 262 E HA -0.241 4.116 4.350 0.012 0.000 0.193 262 E C 1.988 178.524 176.600 -0.106 0.000 0.994 262 E CA 1.325 57.638 56.400 -0.146 0.000 0.800 262 E CB -0.207 29.447 29.700 -0.077 0.000 0.752 262 E HN 0.344 nan 8.360 nan 0.000 0.447 263 F N 1.451 121.229 119.950 -0.286 0.000 2.095 263 F HA -0.194 4.341 4.527 0.012 0.000 0.298 263 F C 2.003 177.737 175.800 -0.110 0.000 1.104 263 F CA 1.508 59.399 58.000 -0.183 0.000 1.232 263 F CB -0.287 38.586 39.000 -0.211 0.000 0.987 263 F HN 0.012 nan 8.300 nan 0.000 0.475 264 L N -0.136 120.984 121.223 -0.172 0.000 2.083 264 L HA -0.183 4.164 4.340 0.012 0.000 0.209 264 L C 2.760 179.383 176.870 -0.413 0.000 1.083 264 L CA 1.066 55.771 54.840 -0.225 0.000 0.752 264 L CB -1.165 40.918 42.059 0.040 0.000 0.899 264 L HN 0.279 nan 8.230 nan 0.000 0.433 265 A N -0.037 122.602 122.820 -0.302 0.000 1.969 265 A HA -0.177 4.150 4.320 0.012 0.000 0.218 265 A C 2.261 179.652 177.584 -0.321 0.000 1.169 265 A CA 1.440 53.248 52.037 -0.382 0.000 0.635 265 A CB -0.210 18.773 19.000 -0.029 0.000 0.810 265 A HN 0.327 nan 8.150 nan 0.000 0.445 266 K N -0.934 119.292 120.400 -0.290 0.000 2.361 266 K HA 0.122 4.449 4.320 0.012 0.000 0.196 266 K C 0.268 176.683 176.600 -0.307 0.000 1.039 266 K CA 0.504 56.645 56.287 -0.242 0.000 1.001 266 K CB 0.280 32.681 32.500 -0.166 0.000 0.795 266 K HN 0.237 nan 8.250 nan 0.000 0.495 267 S N 1.247 116.668 115.700 -0.465 0.000 2.252 267 S HA 0.259 4.737 4.470 0.012 0.000 0.187 267 S C -2.304 172.142 174.600 -0.256 0.000 1.587 267 S CA -1.766 56.195 58.200 -0.399 0.000 1.215 267 S CB 0.735 63.496 63.200 -0.731 0.000 1.085 267 S HN -0.101 nan 8.310 nan 0.000 0.466 268 P HA -0.096 nan 4.420 nan 0.000 0.219 268 P C 1.317 178.561 177.300 -0.093 0.000 1.146 268 P CA 0.851 63.855 63.100 -0.159 0.000 0.808 268 P CB 0.264 31.887 31.700 -0.129 0.000 0.779 269 E N -1.070 119.081 120.200 -0.082 0.000 2.047 269 E HA -0.181 4.176 4.350 0.012 0.000 0.191 269 E C 1.994 178.540 176.600 -0.089 0.000 0.987 269 E CA 1.366 57.708 56.400 -0.097 0.000 0.799 269 E CB -0.860 28.752 29.700 -0.147 0.000 0.752 269 E HN 0.477 nan 8.360 nan 0.000 0.449 270 H N 0.272 119.312 119.070 -0.051 0.000 2.389 270 H HA 0.011 4.573 4.556 0.011 0.000 0.299 270 H C 2.244 177.698 175.328 0.209 0.000 1.081 270 H CA 1.600 57.701 56.048 0.088 0.000 1.345 270 H CB -0.003 29.822 29.762 0.105 0.000 1.393 270 H HN -0.020 nan 8.280 nan 0.000 0.520 271 R N 0.415 121.013 120.500 0.162 0.000 2.083 271 R HA -0.226 4.121 4.340 0.012 0.000 0.237 271 R C 2.239 178.595 176.300 0.094 0.000 1.137 271 R CA 1.787 57.942 56.100 0.092 0.000 0.951 271 R CB -0.032 30.213 30.300 -0.091 0.000 0.851 271 R HN 0.213 nan 8.270 nan 0.000 0.434 272 Q N 0.715 120.544 119.800 0.047 0.000 2.124 272 Q HA -0.205 4.142 4.340 0.012 0.000 0.202 272 Q C 1.702 177.743 176.000 0.068 0.000 0.977 272 Q CA 2.095 57.921 55.803 0.038 0.000 0.850 272 Q CB -0.107 28.633 28.738 0.002 0.000 0.901 272 Q HN 0.438 nan 8.270 nan 0.000 0.429 273 E N -0.664 119.598 120.200 0.103 0.000 2.085 273 E HA -0.192 4.165 4.350 0.012 0.000 0.194 273 E C 1.674 178.363 176.600 0.149 0.000 0.994 273 E CA 1.309 57.791 56.400 0.138 0.000 0.801 273 E CB -0.109 29.718 29.700 0.212 0.000 0.743 273 E HN 0.452 nan 8.360 nan 0.000 0.453 274 L N 0.268 121.592 121.223 0.169 0.000 2.179 274 L HA -0.051 4.296 4.340 0.012 0.000 0.208 274 L C 2.442 179.357 176.870 0.075 0.000 1.096 274 L CA 0.317 55.218 54.840 0.101 0.000 0.779 274 L CB -0.223 41.883 42.059 0.078 0.000 0.922 274 L HN 0.205 nan 8.230 nan 0.000 0.443 275 I N 0.151 120.769 120.570 0.080 0.000 2.179 275 I HA -0.274 3.904 4.170 0.012 0.000 0.242 275 I C 2.380 178.525 176.117 0.047 0.000 1.088 275 I CA 1.509 62.846 61.300 0.061 0.000 1.357 275 I CB -0.142 37.892 38.000 0.057 0.000 1.051 275 I HN 0.263 nan 8.210 nan 0.000 0.409 276 E N 0.430 120.659 120.200 0.049 0.000 2.158 276 E HA -0.037 4.320 4.350 0.012 0.000 0.191 276 E C 0.472 177.096 176.600 0.040 0.000 0.982 276 E CA 0.626 57.050 56.400 0.039 0.000 0.823 276 E CB 0.251 29.973 29.700 0.036 0.000 0.766 276 E HN 0.327 nan 8.360 nan 0.000 0.468 277 R N 0.629 121.160 120.500 0.050 0.000 2.651 277 R HA 0.179 4.527 4.340 0.012 0.000 0.282 277 R C -2.343 173.982 176.300 0.041 0.000 1.565 277 R CA -1.410 54.718 56.100 0.047 0.000 1.661 277 R CB 0.816 31.152 30.300 0.059 0.000 1.189 277 R HN 0.040 nan 8.270 nan 0.000 0.621 278 P HA -0.194 nan 4.420 nan 0.000 0.222 278 P C 1.289 178.601 177.300 0.020 0.000 1.147 278 P CA 1.013 64.128 63.100 0.026 0.000 0.790 278 P CB 0.285 32.001 31.700 0.026 0.000 0.780 279 E N 0.708 120.923 120.200 0.025 0.000 2.333 279 E HA -0.188 4.170 4.350 0.012 0.000 0.198 279 E C 1.483 178.097 176.600 0.022 0.000 1.007 279 E CA 1.047 57.462 56.400 0.025 0.000 0.845 279 E CB -0.651 29.066 29.700 0.028 0.000 0.766 279 E HN 0.308 nan 8.360 nan 0.000 0.507 280 R N 0.162 120.673 120.500 0.019 0.000 2.299 280 R HA 0.234 4.581 4.340 0.012 0.000 0.197 280 R C 2.321 178.589 176.300 -0.054 0.000 0.971 280 R CA 0.184 56.290 56.100 0.011 0.000 1.030 280 R CB -0.147 30.181 30.300 0.046 0.000 0.932 280 R HN 0.217 nan 8.270 nan 0.000 0.477 281 I N 1.407 121.946 120.570 -0.052 0.000 2.208 281 I HA -0.204 3.973 4.170 0.012 0.000 0.245 281 I C -0.826 175.258 176.117 -0.054 0.000 1.097 281 I CA 1.355 62.603 61.300 -0.086 0.000 1.363 281 I CB -0.894 37.085 38.000 -0.035 0.000 1.051 281 I HN 0.035 nan 8.210 nan 0.000 0.413 282 P HA -0.143 nan 4.420 nan 0.000 0.217 282 P C 1.486 178.805 177.300 0.032 0.000 1.150 282 P CA 1.680 64.798 63.100 0.030 0.000 0.832 282 P CB -0.004 31.723 31.700 0.044 0.000 0.787 283 A N 0.072 122.905 122.820 0.021 0.000 1.902 283 A HA -0.095 4.233 4.320 0.012 0.000 0.217 283 A C 2.311 179.912 177.584 0.027 0.000 1.181 283 A CA 1.996 54.062 52.037 0.049 0.000 0.623 283 A CB -1.591 17.453 19.000 0.073 0.000 0.818 283 A HN 0.181 nan 8.150 nan 0.000 0.443 284 A N -0.888 121.846 122.820 -0.143 0.000 1.933 284 A HA -0.225 4.102 4.320 0.012 0.000 0.218 284 A C 2.406 179.915 177.584 -0.127 0.000 1.175 284 A CA 1.738 53.504 52.037 -0.452 0.000 0.628 284 A CB -1.491 16.775 19.000 -1.224 0.000 0.814 284 A HN 0.927 nan 8.150 nan 0.000 0.444 285 C N -0.573 118.706 119.300 -0.034 0.000 2.413 285 C HA -0.143 4.324 4.460 0.012 0.000 0.276 285 C C 2.568 177.636 174.990 0.130 0.000 1.236 285 C CA 1.908 60.988 59.018 0.103 0.000 1.735 285 C CB -1.077 26.733 27.740 0.117 0.000 2.031 285 C HN 0.682 nan 8.230 nan 0.000 0.474 286 E N 0.639 120.903 120.200 0.107 0.000 2.077 286 E HA -0.183 4.175 4.350 0.012 0.000 0.193 286 E C 2.066 178.716 176.600 0.083 0.000 0.989 286 E CA 1.842 58.309 56.400 0.113 0.000 0.800 286 E CB -0.376 29.418 29.700 0.156 0.000 0.746 286 E HN 0.782 nan 8.360 nan 0.000 0.452 287 E N -0.012 120.270 120.200 0.136 0.000 2.072 287 E HA -0.121 4.236 4.350 0.012 0.000 0.191 287 E C 1.920 178.574 176.600 0.089 0.000 0.985 287 E CA 1.123 57.606 56.400 0.138 0.000 0.801 287 E CB -0.319 29.552 29.700 0.285 0.000 0.750 287 E HN 0.340 nan 8.360 nan 0.000 0.452 288 L N -0.028 121.313 121.223 0.198 0.000 2.083 288 L HA -0.148 4.200 4.340 0.012 0.000 0.209 288 L C 2.530 179.621 176.870 0.368 0.000 1.083 288 L CA 0.884 55.905 54.840 0.303 0.000 0.752 288 L CB -0.431 41.864 42.059 0.394 0.000 0.899 288 L HN 0.205 nan 8.230 nan 0.000 0.433 289 L N -0.560 120.757 121.223 0.158 0.000 2.083 289 L HA -0.227 4.120 4.340 0.012 0.000 0.209 289 L C 2.882 179.502 176.870 -0.417 0.000 1.083 289 L CA 1.198 55.850 54.840 -0.313 0.000 0.752 289 L CB -0.465 41.208 42.059 -0.643 0.000 0.899 289 L HN 0.264 nan 8.230 nan 0.000 0.433 290 R N 0.206 120.495 120.500 -0.352 0.000 2.062 290 R HA -0.201 4.146 4.340 0.012 0.000 0.231 290 R C 2.486 178.620 176.300 -0.276 0.000 1.136 290 R CA 1.572 57.502 56.100 -0.282 0.000 0.948 290 R CB -0.104 30.129 30.300 -0.111 0.000 0.845 290 R HN 0.076 nan 8.270 nan 0.000 0.430 291 R N -0.146 120.146 120.500 -0.346 0.000 2.115 291 R HA -0.056 4.292 4.340 0.012 0.000 0.226 291 R C 0.546 176.319 176.300 -0.878 0.000 1.100 291 R CA 1.450 57.150 56.100 -0.667 0.000 0.980 291 R CB -0.133 29.586 30.300 -0.968 0.000 0.875 291 R HN 0.223 nan 8.270 nan 0.000 0.445 292 F N 0.208 120.051 119.950 -0.177 0.000 2.850 292 F HA 0.441 4.975 4.527 0.012 0.000 0.306 292 F C 0.379 176.059 175.800 -0.200 0.000 1.162 292 F CA -0.588 57.236 58.000 -0.293 0.000 1.327 292 F CB -0.096 38.740 39.000 -0.273 0.000 0.953 292 F HN -0.159 nan 8.300 nan 0.000 0.507 293 S N 1.614 117.220 115.700 -0.156 0.000 2.558 293 S HA 0.220 4.697 4.470 0.012 0.000 0.287 293 S C 0.969 175.422 174.600 -0.246 0.000 1.321 293 S CA 0.135 58.203 58.200 -0.220 0.000 1.048 293 S CB 0.434 63.474 63.200 -0.265 0.000 0.844 293 S HN 0.569 nan 8.310 nan 0.000 0.512 294 L N 2.121 123.228 121.223 -0.193 0.000 3.689 294 L HA 0.555 4.903 4.340 0.012 0.000 0.344 294 L C -0.792 175.978 176.870 -0.167 0.000 1.221 294 L CA -0.496 54.253 54.840 -0.151 0.000 1.171 294 L CB 0.196 42.330 42.059 0.124 0.000 1.540 294 L HN 0.337 nan 8.230 nan 0.000 0.631 295 V N 2.143 121.951 119.914 -0.176 0.000 2.539 295 V HA 0.790 4.917 4.120 0.012 0.000 0.292 295 V C 0.407 176.392 176.094 -0.181 0.000 1.045 295 V CA 0.125 62.349 62.300 -0.126 0.000 0.945 295 V CB 1.379 33.166 31.823 -0.060 0.000 0.993 295 V HN 0.349 nan 8.190 nan 0.000 0.464 296 A N 3.268 126.014 122.820 -0.123 0.000 2.702 296 A HA 0.643 4.971 4.320 0.012 0.000 0.305 296 A C -0.804 176.832 177.584 0.087 0.000 1.213 296 A CA -0.546 51.453 52.037 -0.063 0.000 0.745 296 A CB 0.431 19.324 19.000 -0.179 0.000 1.161 296 A HN 0.726 nan 8.150 nan 0.000 0.445 297 D N 0.398 120.883 120.400 0.141 0.000 2.478 297 D HA 0.801 5.448 4.640 0.012 0.000 0.263 297 D C 0.753 177.154 176.300 0.169 0.000 1.153 297 D CA 0.620 54.731 54.000 0.185 0.000 1.038 297 D CB 1.730 42.631 40.800 0.170 0.000 1.120 297 D HN 0.683 nan 8.370 nan 0.000 0.564 298 G N -1.005 107.856 108.800 0.101 0.000 2.827 298 G HA2 0.685 4.653 3.960 0.012 0.000 0.296 298 G HA3 0.685 4.653 3.960 0.012 0.000 0.296 298 G C -1.103 173.809 174.900 0.020 0.000 1.362 298 G CA -0.531 44.598 45.100 0.048 0.000 0.809 298 G HN 0.214 nan 8.290 nan 0.000 0.522 299 R N -1.378 119.140 120.500 0.031 0.000 2.831 299 R HA 0.620 4.967 4.340 0.012 0.000 0.266 299 R C -1.506 174.872 176.300 0.130 0.000 1.051 299 R CA -0.770 55.377 56.100 0.078 0.000 0.943 299 R CB 1.773 32.155 30.300 0.136 0.000 1.228 299 R HN 0.597 nan 8.270 nan 0.000 0.467 300 I N 1.173 121.825 120.570 0.137 0.000 2.608 300 I HA 0.289 4.466 4.170 0.012 0.000 0.295 300 I C -0.748 175.444 176.117 0.125 0.000 1.049 300 I CA -1.039 60.346 61.300 0.141 0.000 1.063 300 I CB 1.431 39.485 38.000 0.089 0.000 1.248 300 I HN 0.227 nan 8.210 nan 0.000 0.424 301 L N 6.367 127.666 121.223 0.127 0.000 2.462 301 L HA 0.117 4.465 4.340 0.012 0.000 0.272 301 L C 1.589 178.456 176.870 -0.005 0.000 1.166 301 L CA 0.502 55.349 54.840 0.012 0.000 0.880 301 L CB 0.975 43.065 42.059 0.051 0.000 1.142 301 L HN 0.826 nan 8.230 nan 0.000 0.473 302 T N -1.470 113.045 114.554 -0.064 0.000 3.067 302 T HA 0.049 4.407 4.350 0.012 0.000 0.261 302 T C 0.732 175.411 174.700 -0.034 0.000 1.110 302 T CA 0.491 62.563 62.100 -0.046 0.000 1.113 302 T CB 0.148 68.963 68.868 -0.088 0.000 0.917 302 T HN 0.633 nan 8.240 nan 0.000 0.499 303 S N -0.242 115.442 115.700 -0.027 0.000 2.587 303 S HA 0.453 4.930 4.470 0.012 0.000 0.269 303 S C -2.058 172.551 174.600 0.015 0.000 1.154 303 S CA -1.155 57.044 58.200 -0.000 0.000 0.824 303 S CB 1.074 64.278 63.200 0.006 0.000 1.118 303 S HN 0.053 nan 8.310 nan 0.000 0.462 304 D N 1.168 121.579 120.400 0.020 0.000 2.488 304 D HA 0.423 5.071 4.640 0.012 0.000 0.238 304 D C -0.854 175.494 176.300 0.079 0.000 1.138 304 D CA 1.091 55.107 54.000 0.026 0.000 0.873 304 D CB 0.048 40.852 40.800 0.008 0.000 1.183 304 D HN 0.536 nan 8.370 nan 0.000 0.458 305 Y N 0.604 120.819 120.300 -0.142 0.000 2.390 305 Y HA 0.163 4.720 4.550 0.012 0.000 0.324 305 Y C -1.156 174.654 175.900 -0.150 0.000 1.151 305 Y CA -1.004 56.949 58.100 -0.245 0.000 1.053 305 Y CB 1.230 39.361 38.460 -0.548 0.000 1.277 305 Y HN 0.337 nan 8.280 nan 0.000 0.432 306 E N 6.129 126.051 120.200 -0.462 0.000 2.130 306 E HA 0.346 4.703 4.350 0.012 0.000 0.284 306 E C -1.893 174.250 176.600 -0.761 0.000 1.018 306 E CA -0.446 55.685 56.400 -0.448 0.000 0.817 306 E CB 0.588 30.151 29.700 -0.227 0.000 1.078 306 E HN 0.449 nan 8.360 nan 0.000 0.396 307 F N 5.567 125.097 119.950 -0.700 0.000 2.496 307 F HA 0.245 4.779 4.527 0.011 0.000 0.341 307 F C -0.423 175.271 175.800 -0.178 0.000 1.134 307 F CA -0.665 57.017 58.000 -0.530 0.000 0.968 307 F CB 0.502 39.304 39.000 -0.331 0.000 1.205 307 F HN 0.647 nan 8.300 nan 0.000 0.436 308 H N 4.280 123.021 119.070 -0.548 0.000 2.604 308 H HA -0.192 4.371 4.556 0.012 0.000 0.321 308 H C 1.412 176.577 175.328 -0.272 0.000 1.132 308 H CA 1.192 56.966 56.048 -0.456 0.000 1.129 308 H CB -1.013 28.362 29.762 -0.646 0.000 1.526 308 H HN 1.207 nan 8.280 nan 0.000 0.415 309 G N -1.073 107.630 108.800 -0.162 0.000 2.184 309 G HA2 -0.312 3.655 3.960 0.012 0.000 0.264 309 G HA3 -0.312 3.655 3.960 0.012 0.000 0.264 309 G C 0.244 175.104 174.900 -0.068 0.000 0.975 309 G CA 0.320 45.364 45.100 -0.094 0.000 0.642 309 G HN 0.494 nan 8.290 nan 0.000 0.536 310 V N 0.562 120.411 119.914 -0.108 0.000 2.448 310 V HA 0.580 4.708 4.120 0.012 0.000 0.295 310 V C 0.330 176.343 176.094 -0.134 0.000 1.025 310 V CA -0.803 61.431 62.300 -0.109 0.000 0.859 310 V CB 1.825 33.530 31.823 -0.196 0.000 0.988 310 V HN 0.337 nan 8.190 nan 0.000 0.431 311 Q N 4.570 124.350 119.800 -0.034 0.000 2.324 311 Q HA 0.401 4.748 4.340 0.012 0.000 0.257 311 Q C -0.968 175.101 176.000 0.115 0.000 1.080 311 Q CA 0.354 56.170 55.803 0.021 0.000 0.907 311 Q CB 0.361 29.155 28.738 0.093 0.000 1.274 311 Q HN 0.673 nan 8.270 nan 0.000 0.434 312 L N 3.334 124.558 121.223 0.001 0.000 2.334 312 L HA 0.523 4.870 4.340 0.012 0.000 0.277 312 L C 0.203 177.148 176.870 0.125 0.000 1.075 312 L CA -0.764 54.145 54.840 0.116 0.000 0.804 312 L CB 1.285 43.309 42.059 -0.058 0.000 1.174 312 L HN 0.477 nan 8.230 nan 0.000 0.438 313 K N 2.425 122.911 120.400 0.143 0.000 2.164 313 K HA 0.247 4.574 4.320 0.012 0.000 0.258 313 K C -0.377 176.242 176.600 0.032 0.000 0.951 313 K CA -0.849 55.391 56.287 -0.079 0.000 0.844 313 K CB 1.544 33.730 32.500 -0.524 0.000 1.099 313 K HN 0.418 nan 8.250 nan 0.000 0.435 314 K N 1.901 122.302 120.400 0.002 0.000 2.511 314 K HA -0.129 4.198 4.320 0.012 0.000 0.277 314 K C 0.536 177.169 176.600 0.054 0.000 1.025 314 K CA 1.742 58.044 56.287 0.024 0.000 1.112 314 K CB -0.185 32.318 32.500 0.005 0.000 0.859 314 K HN 0.869 nan 8.250 nan 0.000 0.485 315 G N 3.148 111.999 108.800 0.085 0.000 2.217 315 G HA2 -0.217 3.750 3.960 0.012 0.000 0.246 315 G HA3 -0.217 3.750 3.960 0.012 0.000 0.246 315 G C -0.364 174.646 174.900 0.184 0.000 0.990 315 G CA 0.133 45.299 45.100 0.110 0.000 0.627 315 G HN 0.735 nan 8.290 nan 0.000 0.522 316 D N 1.521 122.080 120.400 0.265 0.000 2.455 316 D HA 0.365 5.013 4.640 0.012 0.000 0.241 316 D C 0.903 177.441 176.300 0.396 0.000 1.138 316 D CA 0.553 54.818 54.000 0.442 0.000 0.877 316 D CB 0.546 41.791 40.800 0.741 0.000 1.187 316 D HN 0.510 nan 8.370 nan 0.000 0.451 317 Q N 0.887 120.902 119.800 0.358 0.000 2.230 317 Q HA 0.574 4.921 4.340 0.012 0.000 0.248 317 Q C -0.295 175.933 176.000 0.381 0.000 0.915 317 Q CA -0.546 55.421 55.803 0.274 0.000 0.900 317 Q CB 2.258 31.083 28.738 0.144 0.000 1.229 317 Q HN 0.471 nan 8.270 nan 0.000 0.439 318 I N 2.574 123.331 120.570 0.310 0.000 2.478 318 I HA 0.239 4.417 4.170 0.012 0.000 0.287 318 I C -1.584 174.624 176.117 0.152 0.000 1.042 318 I CA -1.057 60.443 61.300 0.333 0.000 1.067 318 I CB 1.156 39.346 38.000 0.317 0.000 1.233 318 I HN 0.485 nan 8.210 nan 0.000 0.431 319 L N 8.358 129.690 121.223 0.182 0.000 2.319 319 L HA 0.408 4.755 4.340 0.012 0.000 0.280 319 L C -1.120 175.800 176.870 0.083 0.000 1.099 319 L CA 0.327 55.233 54.840 0.110 0.000 0.828 319 L CB 0.734 42.893 42.059 0.166 0.000 1.150 319 L HN 0.551 nan 8.230 nan 0.000 0.442 320 L N 7.753 128.988 121.223 0.021 0.000 2.445 320 L HA 0.401 4.749 4.340 0.012 0.000 0.252 320 L C -2.247 174.690 176.870 0.111 0.000 1.105 320 L CA -1.652 53.145 54.840 -0.073 0.000 0.943 320 L CB 1.028 42.769 42.059 -0.529 0.000 1.277 320 L HN 0.489 nan 8.230 nan 0.000 0.465 321 P HA 0.154 nan 4.420 nan 0.000 0.275 321 P C 0.195 177.513 177.300 0.030 0.000 1.276 321 P CA -0.223 62.913 63.100 0.060 0.000 0.782 321 P CB 1.145 32.887 31.700 0.071 0.000 0.851 322 Q N 2.621 122.446 119.800 0.043 0.000 2.152 322 Q HA -0.212 4.135 4.340 0.012 0.000 0.206 322 Q C 1.902 177.850 176.000 -0.087 0.000 0.985 322 Q CA 1.772 57.579 55.803 0.006 0.000 0.863 322 Q CB -0.584 28.128 28.738 -0.044 0.000 0.904 322 Q HN 0.507 nan 8.270 nan 0.000 0.422 323 M N -0.358 119.130 119.600 -0.187 0.000 2.144 323 M HA -0.218 4.270 4.480 0.012 0.000 0.260 323 M C 1.416 177.609 176.300 -0.179 0.000 1.067 323 M CA 1.565 56.712 55.300 -0.255 0.000 1.095 323 M CB -0.009 32.316 32.600 -0.458 0.000 1.365 323 M HN 0.295 nan 8.290 nan 0.000 0.406 324 L N -0.716 120.435 121.223 -0.120 0.000 2.240 324 L HA -0.105 4.243 4.340 0.012 0.000 0.211 324 L C 2.366 179.196 176.870 -0.067 0.000 1.106 324 L CA 0.526 55.322 54.840 -0.073 0.000 0.793 324 L CB -0.435 41.609 42.059 -0.026 0.000 0.927 324 L HN 0.318 nan 8.230 nan 0.000 0.446 325 S N 0.426 116.094 115.700 -0.054 0.000 2.359 325 S HA -0.155 4.322 4.470 0.012 0.000 0.224 325 S C 1.971 176.540 174.600 -0.053 0.000 1.035 325 S CA 1.495 59.665 58.200 -0.050 0.000 1.018 325 S CB -0.592 62.584 63.200 -0.040 0.000 0.876 325 S HN 0.594 nan 8.310 nan 0.000 0.448 326 G N 0.844 109.618 108.800 -0.044 0.000 2.534 326 G HA2 0.024 3.991 3.960 0.012 0.000 0.217 326 G HA3 0.024 3.991 3.960 0.012 0.000 0.217 326 G C 1.146 175.995 174.900 -0.084 0.000 1.128 326 G CA 0.193 45.270 45.100 -0.038 0.000 0.784 326 G HN 0.446 nan 8.290 nan 0.000 0.542 327 L N 0.189 121.351 121.223 -0.102 0.000 2.509 327 L HA 0.157 4.505 4.340 0.012 0.000 0.222 327 L C 0.634 177.448 176.870 -0.093 0.000 1.123 327 L CA -0.250 54.523 54.840 -0.112 0.000 0.856 327 L CB -0.003 41.987 42.059 -0.115 0.000 0.985 327 L HN 0.026 nan 8.230 nan 0.000 0.456 328 D N 1.085 121.436 120.400 -0.081 0.000 2.401 328 D HA -0.029 4.619 4.640 0.012 0.000 0.254 328 D C 0.935 177.188 176.300 -0.077 0.000 1.192 328 D CA 0.117 54.070 54.000 -0.078 0.000 0.885 328 D CB 1.339 42.094 40.800 -0.074 0.000 1.147 328 D HN 0.097 nan 8.370 nan 0.000 0.478 329 E N 3.180 123.333 120.200 -0.079 0.000 2.265 329 E HA -0.152 4.205 4.350 0.012 0.000 0.196 329 E C 1.654 178.214 176.600 -0.067 0.000 0.996 329 E CA 0.924 57.276 56.400 -0.079 0.000 0.832 329 E CB -0.131 29.521 29.700 -0.080 0.000 0.756 329 E HN 0.490 nan 8.360 nan 0.000 0.491 330 R N 0.524 120.985 120.500 -0.065 0.000 2.235 330 R HA 0.011 4.358 4.340 0.012 0.000 0.213 330 R C 1.653 177.921 176.300 -0.053 0.000 1.059 330 R CA 0.927 56.993 56.100 -0.057 0.000 0.997 330 R CB 0.029 30.293 30.300 -0.061 0.000 0.884 330 R HN 0.302 nan 8.270 nan 0.000 0.462 331 E N -0.329 119.837 120.200 -0.056 0.000 2.244 331 E HA 0.109 4.467 4.350 0.012 0.000 0.196 331 E C -0.091 176.483 176.600 -0.044 0.000 0.939 331 E CA 0.295 56.665 56.400 -0.050 0.000 0.884 331 E CB 0.530 30.198 29.700 -0.054 0.000 0.850 331 E HN 0.212 nan 8.360 nan 0.000 0.481 332 N N 0.466 119.134 118.700 -0.052 0.000 2.454 332 N HA 0.294 5.041 4.740 0.012 0.000 0.291 332 N C -1.164 174.305 175.510 -0.068 0.000 1.079 332 N CA -0.179 52.841 53.050 -0.050 0.000 0.893 332 N CB 2.173 40.630 38.487 -0.050 0.000 1.512 332 N HN -0.035 nan 8.380 nan 0.000 0.497 333 A N 1.465 124.248 122.820 -0.061 0.000 2.462 333 A HA 0.519 4.847 4.320 0.012 0.000 0.243 333 A C 0.980 178.488 177.584 -0.127 0.000 1.076 333 A CA 0.455 52.443 52.037 -0.080 0.000 0.773 333 A CB -0.110 18.857 19.000 -0.056 0.000 1.010 333 A HN 1.217 nan 8.150 nan 0.000 0.493 334 A N 2.801 125.505 122.820 -0.195 0.000 2.466 334 A HA -0.087 4.240 4.320 0.012 0.000 0.295 334 A C -0.802 176.588 177.584 -0.323 0.000 1.465 334 A CA 0.646 52.448 52.037 -0.392 0.000 0.744 334 A CB -1.474 17.174 19.000 -0.588 0.000 1.098 334 A HN 0.752 nan 8.150 nan 0.000 0.402 335 P HA -0.147 nan 4.420 nan 0.000 0.223 335 P C 1.291 178.494 177.300 -0.162 0.000 1.151 335 P CA 0.993 63.998 63.100 -0.157 0.000 0.787 335 P CB -0.016 31.606 31.700 -0.131 0.000 0.788 336 M N -1.314 118.197 119.600 -0.149 0.000 2.558 336 M HA 0.019 4.506 4.480 0.012 0.000 0.255 336 M C 0.872 177.182 176.300 0.017 0.000 1.113 336 M CA 0.420 55.667 55.300 -0.088 0.000 1.097 336 M CB -1.361 31.226 32.600 -0.022 0.000 1.426 336 M HN 0.124 nan 8.290 nan 0.000 0.488 337 H N 0.004 119.009 119.070 -0.109 0.000 2.683 337 H HA 0.252 4.815 4.556 0.011 0.000 0.339 337 H C -0.316 174.921 175.328 -0.152 0.000 1.081 337 H CA -0.710 55.288 56.048 -0.085 0.000 1.432 337 H CB 1.418 31.158 29.762 -0.038 0.000 1.462 337 H HN -0.162 nan 8.280 nan 0.000 0.557 338 V N 4.073 123.939 119.914 -0.080 0.000 2.406 338 V HA 0.036 4.164 4.120 0.012 0.000 0.272 338 V C 0.155 176.204 176.094 -0.075 0.000 1.043 338 V CA -0.077 62.076 62.300 -0.246 0.000 0.915 338 V CB 1.134 32.533 31.823 -0.708 0.000 0.988 338 V HN 0.794 nan 8.190 nan 0.000 0.466 339 D N 4.122 124.483 120.400 -0.064 0.000 2.575 339 D HA 0.299 4.947 4.640 0.012 0.000 0.250 339 D C 0.269 176.620 176.300 0.085 0.000 1.279 339 D CA -0.455 53.530 54.000 -0.025 0.000 0.925 339 D CB 1.389 42.210 40.800 0.035 0.000 1.261 339 D HN 0.260 nan 8.370 nan 0.000 0.567 340 F N 1.264 121.303 119.950 0.149 0.000 2.546 340 F HA -0.007 4.527 4.527 0.011 0.000 0.298 340 F C 2.259 178.110 175.800 0.085 0.000 1.120 340 F CA 0.332 58.404 58.000 0.120 0.000 1.456 340 F CB -0.295 38.792 39.000 0.145 0.000 1.088 340 F HN 0.233 nan 8.300 nan 0.000 0.572 341 S N -0.884 114.951 115.700 0.226 0.000 2.577 341 S HA 0.111 4.589 4.470 0.012 0.000 0.219 341 S C 0.719 175.382 174.600 0.104 0.000 0.962 341 S CA -0.423 57.864 58.200 0.144 0.000 0.921 341 S CB -0.203 63.060 63.200 0.105 0.000 0.789 341 S HN 0.146 nan 8.310 nan 0.000 0.497 342 R N 2.612 123.175 120.500 0.106 0.000 2.494 342 R HA -0.088 4.260 4.340 0.012 0.000 0.291 342 R C 1.839 178.180 176.300 0.069 0.000 0.953 342 R CA 0.194 56.339 56.100 0.075 0.000 1.098 342 R CB 0.230 30.573 30.300 0.071 0.000 0.911 342 R HN 0.534 nan 8.270 nan 0.000 0.407 343 Q N 2.635 122.466 119.800 0.051 0.000 2.230 343 Q HA -0.067 4.280 4.340 0.012 0.000 0.202 343 Q C -0.203 175.822 176.000 0.041 0.000 0.963 343 Q CA 1.228 57.058 55.803 0.045 0.000 0.866 343 Q CB 0.473 29.231 28.738 0.034 0.000 0.931 343 Q HN 0.220 nan 8.270 nan 0.000 0.452 344 K N 1.537 121.959 120.400 0.036 0.000 2.616 344 K HA 0.343 4.671 4.320 0.012 0.000 0.241 344 K C -1.682 174.938 176.600 0.034 0.000 0.961 344 K CA -0.460 55.844 56.287 0.029 0.000 0.942 344 K CB 2.344 34.853 32.500 0.015 0.000 1.153 344 K HN -0.052 nan 8.250 nan 0.000 0.452 345 V N 2.201 122.146 119.914 0.052 0.000 2.320 345 V HA 0.118 4.246 4.120 0.012 0.000 0.265 345 V C 0.463 176.595 176.094 0.065 0.000 1.048 345 V CA -0.371 61.977 62.300 0.079 0.000 0.865 345 V CB 1.010 32.912 31.823 0.131 0.000 1.043 345 V HN 0.593 nan 8.190 nan 0.000 0.474 346 S N 5.261 120.979 115.700 0.030 0.000 2.457 346 S HA 0.677 5.154 4.470 0.012 0.000 0.289 346 S C -0.533 174.083 174.600 0.025 0.000 1.163 346 S CA -0.388 57.799 58.200 -0.023 0.000 1.078 346 S CB 0.117 63.296 63.200 -0.034 0.000 0.987 346 S HN 1.079 nan 8.310 nan 0.000 0.482 347 H N 0.173 119.216 119.070 -0.045 0.000 2.967 347 H HA 0.540 5.104 4.556 0.012 0.000 0.318 347 H C -0.573 174.721 175.328 -0.057 0.000 1.375 347 H CA -0.471 55.535 56.048 -0.071 0.000 1.132 347 H CB 0.799 30.506 29.762 -0.092 0.000 1.848 347 H HN 0.308 nan 8.280 nan 0.000 0.524 348 T N -1.827 112.798 114.554 0.118 0.000 3.483 348 T HA 0.194 4.551 4.350 0.012 0.000 0.258 348 T C 0.307 175.071 174.700 0.106 0.000 1.013 348 T CA 0.017 62.171 62.100 0.089 0.000 1.078 348 T CB -0.371 68.512 68.868 0.025 0.000 1.111 348 T HN 0.630 nan 8.240 nan 0.000 0.538 349 T N 1.100 115.782 114.554 0.212 0.000 2.867 349 T HA 0.082 4.439 4.350 0.012 0.000 0.268 349 T C 0.501 174.991 174.700 -0.350 0.000 1.057 349 T CA 1.125 63.072 62.100 -0.255 0.000 1.136 349 T CB -0.350 68.100 68.868 -0.698 0.000 0.874 349 T HN 0.519 nan 8.240 nan 0.000 0.466 350 F N 1.133 121.095 119.950 0.019 0.000 2.660 350 F HA 0.458 4.992 4.527 0.010 0.000 0.302 350 F C 1.621 177.387 175.800 -0.057 0.000 1.103 350 F CA -0.164 57.814 58.000 -0.037 0.000 1.340 350 F CB -0.439 38.537 39.000 -0.040 0.000 1.048 350 F HN 0.283 nan 8.300 nan 0.000 0.551 351 G N -0.031 108.801 108.800 0.053 0.000 2.627 351 G HA2 -0.054 3.913 3.960 0.012 0.000 0.214 351 G HA3 -0.054 3.913 3.960 0.012 0.000 0.214 351 G C -1.506 173.404 174.900 0.016 0.000 1.331 351 G CA -0.621 44.426 45.100 -0.088 0.000 0.891 351 G HN 0.514 nan 8.290 nan 0.000 0.539 352 H N -0.994 117.940 119.070 -0.228 0.000 3.094 352 H HA 0.682 5.244 4.556 0.010 0.000 0.346 352 H C 0.510 175.824 175.328 -0.023 0.000 1.238 352 H CA 1.898 57.907 56.048 -0.065 0.000 1.209 352 H CB 1.274 31.059 29.762 0.039 0.000 1.911 352 H HN 2.689 nan 8.280 nan 0.000 0.540 353 G N 1.120 109.640 108.800 -0.466 0.000 2.615 353 G HA2 -0.231 3.736 3.960 0.012 0.000 0.218 353 G HA3 -0.231 3.736 3.960 0.012 0.000 0.218 353 G C 1.114 175.944 174.900 -0.116 0.000 1.339 353 G CA 0.536 45.506 45.100 -0.215 0.000 0.884 353 G HN 1.408 nan 8.290 nan 0.000 0.559 354 S N -1.165 114.492 115.700 -0.071 0.000 2.447 354 S HA -0.069 4.409 4.470 0.012 0.000 0.233 354 S C 1.384 175.818 174.600 -0.276 0.000 1.006 354 S CA 1.910 59.993 58.200 -0.195 0.000 0.957 354 S CB -0.256 62.762 63.200 -0.302 0.000 0.773 354 S HN 0.746 nan 8.310 nan 0.000 0.507 355 H N 0.344 119.380 119.070 -0.056 0.000 2.529 355 H HA 0.344 4.907 4.556 0.012 0.000 0.277 355 H C 0.361 175.651 175.328 -0.063 0.000 1.004 355 H CA -0.453 55.568 56.048 -0.045 0.000 1.167 355 H CB -0.081 29.663 29.762 -0.029 0.000 1.445 355 H HN 0.338 nan 8.280 nan 0.000 0.554 356 L N 1.846 123.063 121.223 -0.010 0.000 2.678 356 L HA -0.122 4.225 4.340 0.012 0.000 0.285 356 L C 0.561 177.424 176.870 -0.012 0.000 1.233 356 L CA 0.261 55.089 54.840 -0.020 0.000 0.920 356 L CB 0.063 42.095 42.059 -0.044 0.000 1.176 356 L HN 0.292 nan 8.230 nan 0.000 0.495 357 C N 6.345 125.655 119.300 0.018 0.000 2.155 357 C HA -0.078 4.390 4.460 0.012 0.000 0.396 357 C C 1.932 176.857 174.990 -0.108 0.000 1.545 357 C CA -0.001 59.016 59.018 -0.002 0.000 1.442 357 C CB -1.482 26.301 27.740 0.072 0.000 2.553 357 C HN 0.928 nan 8.230 nan 0.000 0.598 358 L N 5.128 126.319 121.223 -0.054 0.000 2.291 358 L HA 0.091 4.438 4.340 0.012 0.000 0.214 358 L C 2.443 179.248 176.870 -0.108 0.000 1.120 358 L CA 1.440 56.240 54.840 -0.066 0.000 0.799 358 L CB -0.379 41.680 42.059 -0.001 0.000 0.925 358 L HN 0.950 nan 8.230 nan 0.000 0.446 359 G N -0.535 108.200 108.800 -0.108 0.000 3.088 359 G HA2 -0.074 3.893 3.960 0.012 0.000 0.212 359 G HA3 -0.074 3.893 3.960 0.012 0.000 0.212 359 G C 1.360 176.085 174.900 -0.292 0.000 1.173 359 G CA 0.111 45.142 45.100 -0.116 0.000 0.779 359 G HN 0.542 nan 8.290 nan 0.000 0.540 360 Q N -0.143 119.293 119.800 -0.605 0.000 2.135 360 Q HA -0.211 4.137 4.340 0.012 0.000 0.204 360 Q C 1.869 177.389 176.000 -0.800 0.000 0.981 360 Q CA 1.521 56.586 55.803 -1.230 0.000 0.856 360 Q CB -0.539 27.286 28.738 -1.521 0.000 0.902 360 Q HN 0.472 nan 8.270 nan 0.000 0.425 361 H N 0.300 119.192 119.070 -0.296 0.000 2.363 361 H HA -0.043 4.520 4.556 0.012 0.000 0.301 361 H C 2.171 177.447 175.328 -0.087 0.000 1.074 361 H CA 1.322 57.276 56.048 -0.157 0.000 1.354 361 H CB -0.249 29.451 29.762 -0.103 0.000 1.397 361 H HN 0.258 nan 8.280 nan 0.000 0.516 362 L N 1.260 122.493 121.223 0.017 0.000 2.017 362 L HA -0.058 4.289 4.340 0.012 0.000 0.208 362 L C 2.567 179.466 176.870 0.048 0.000 1.073 362 L CA 1.796 56.654 54.840 0.030 0.000 0.745 362 L CB -0.919 41.150 42.059 0.016 0.000 0.894 362 L HN 0.183 nan 8.230 nan 0.000 0.432 363 A N -0.361 122.470 122.820 0.019 0.000 1.883 363 A HA -0.244 4.083 4.320 0.012 0.000 0.217 363 A C 2.435 180.123 177.584 0.173 0.000 1.186 363 A CA 1.962 54.073 52.037 0.122 0.000 0.624 363 A CB -0.609 18.507 19.000 0.193 0.000 0.822 363 A HN 0.503 nan 8.150 nan 0.000 0.444 364 R N -1.414 119.156 120.500 0.117 0.000 2.091 364 R HA -0.138 4.209 4.340 0.012 0.000 0.238 364 R C 2.467 178.863 176.300 0.160 0.000 1.136 364 R CA 1.609 57.803 56.100 0.158 0.000 0.959 364 R CB -0.264 30.107 30.300 0.118 0.000 0.856 364 R HN 0.397 nan 8.270 nan 0.000 0.437 365 R N 1.334 121.915 120.500 0.136 0.000 2.081 365 R HA -0.104 4.243 4.340 0.012 0.000 0.235 365 R C 1.798 178.221 176.300 0.206 0.000 1.131 365 R CA 1.596 57.782 56.100 0.143 0.000 0.960 365 R CB -0.168 30.198 30.300 0.109 0.000 0.856 365 R HN 0.285 nan 8.270 nan 0.000 0.436 366 E N -0.374 119.972 120.200 0.242 0.000 2.085 366 E HA -0.213 4.144 4.350 0.012 0.000 0.194 366 E C 1.967 178.823 176.600 0.427 0.000 0.994 366 E CA 1.712 58.358 56.400 0.410 0.000 0.801 366 E CB -0.206 29.723 29.700 0.381 0.000 0.743 366 E HN 0.351 nan 8.360 nan 0.000 0.453 367 I N 0.699 121.472 120.570 0.339 0.000 2.202 367 I HA -0.262 3.915 4.170 0.012 0.000 0.242 367 I C 2.357 178.606 176.117 0.220 0.000 1.091 367 I CA 1.026 62.517 61.300 0.318 0.000 1.368 367 I CB -0.169 38.052 38.000 0.369 0.000 1.058 367 I HN 0.075 nan 8.210 nan 0.000 0.410 368 I N -0.148 120.534 120.570 0.188 0.000 2.179 368 I HA -0.246 3.931 4.170 0.012 0.000 0.242 368 I C 2.523 178.714 176.117 0.123 0.000 1.088 368 I CA 1.116 62.494 61.300 0.130 0.000 1.357 368 I CB -0.317 37.750 38.000 0.111 0.000 1.051 368 I HN 0.007 nan 8.210 nan 0.000 0.409 369 V N 0.520 120.530 119.914 0.160 0.000 2.332 369 V HA -0.306 3.822 4.120 0.012 0.000 0.248 369 V C 2.502 178.674 176.094 0.131 0.000 1.055 369 V CA 2.490 64.885 62.300 0.159 0.000 1.038 369 V CB -0.888 31.069 31.823 0.223 0.000 0.651 369 V HN 0.482 nan 8.190 nan 0.000 0.450 370 T N 0.359 114.993 114.554 0.134 0.000 2.674 370 T HA -0.130 4.227 4.350 0.012 0.000 0.265 370 T C 1.869 176.579 174.700 0.015 0.000 1.039 370 T CA 1.638 63.757 62.100 0.032 0.000 1.150 370 T CB -0.295 68.590 68.868 0.028 0.000 0.864 370 T HN 0.306 nan 8.240 nan 0.000 0.427 371 L N 0.420 121.662 121.223 0.032 0.000 2.046 371 L HA -0.100 4.247 4.340 0.012 0.000 0.208 371 L C 2.732 179.635 176.870 0.055 0.000 1.077 371 L CA 1.388 56.239 54.840 0.019 0.000 0.747 371 L CB -0.492 41.574 42.059 0.013 0.000 0.896 371 L HN 0.205 nan 8.230 nan 0.000 0.432 372 K N -0.233 120.200 120.400 0.054 0.000 2.026 372 K HA -0.170 4.158 4.320 0.012 0.000 0.208 372 K C 2.104 178.728 176.600 0.040 0.000 1.048 372 K CA 1.263 57.579 56.287 0.048 0.000 0.929 372 K CB -0.069 32.460 32.500 0.049 0.000 0.713 372 K HN 0.247 nan 8.250 nan 0.000 0.439 373 E N -0.001 120.223 120.200 0.039 0.000 2.107 373 E HA -0.182 4.175 4.350 0.012 0.000 0.191 373 E C 1.694 178.269 176.600 -0.042 0.000 0.982 373 E CA 0.655 57.057 56.400 0.003 0.000 0.809 373 E CB -0.198 29.513 29.700 0.017 0.000 0.756 373 E HN 0.470 nan 8.360 nan 0.000 0.459 374 W N 1.390 122.568 121.300 -0.203 0.000 2.381 374 W HA -0.066 4.600 4.660 0.011 0.000 0.301 374 W C 1.757 178.139 176.519 -0.228 0.000 1.205 374 W CA 0.861 58.022 57.345 -0.307 0.000 1.285 374 W CB -0.203 28.990 29.460 -0.446 0.000 1.133 374 W HN 0.026 nan 8.180 nan 0.000 0.521 375 L N 0.005 121.321 121.223 0.155 0.000 2.291 375 L HA -0.155 4.193 4.340 0.012 0.000 0.214 375 L C 2.348 179.236 176.870 0.030 0.000 1.120 375 L CA 1.281 56.208 54.840 0.144 0.000 0.799 375 L CB -0.978 41.168 42.059 0.145 0.000 0.925 375 L HN -0.202 nan 8.230 nan 0.000 0.446 376 T N -0.836 113.705 114.554 -0.021 0.000 2.812 376 T HA -0.060 4.298 4.350 0.012 0.000 0.264 376 T C 2.031 176.669 174.700 -0.105 0.000 1.042 376 T CA 0.974 63.047 62.100 -0.046 0.000 1.140 376 T CB 0.052 68.897 68.868 -0.040 0.000 0.870 376 T HN 0.212 nan 8.240 nan 0.000 0.445 377 R N 0.261 120.638 120.500 -0.206 0.000 2.146 377 R HA 0.320 4.668 4.340 0.012 0.000 0.206 377 R C 0.701 176.773 176.300 -0.381 0.000 1.049 377 R CA 0.595 56.525 56.100 -0.282 0.000 1.029 377 R CB 0.194 30.284 30.300 -0.350 0.000 0.949 377 R HN 0.370 nan 8.270 nan 0.000 0.471 378 I N 2.858 123.104 120.570 -0.540 0.000 2.862 378 I HA 0.168 4.345 4.170 0.012 0.000 0.285 378 I C -1.823 174.222 176.117 -0.119 0.000 1.339 378 I CA -1.461 59.488 61.300 -0.585 0.000 1.002 378 I CB 1.996 39.174 38.000 -1.370 0.000 1.618 378 I HN -0.181 nan 8.210 nan 0.000 0.593 379 P HA -0.088 nan 4.420 nan 0.000 0.219 379 P C 0.254 177.699 177.300 0.241 0.000 1.150 379 P CA 1.254 64.450 63.100 0.160 0.000 0.814 379 P CB 0.415 32.156 31.700 0.069 0.000 0.787 380 D N 0.013 120.540 120.400 0.211 0.000 2.381 380 D HA 0.379 5.026 4.640 0.012 0.000 0.235 380 D C -0.815 175.688 176.300 0.338 0.000 1.068 380 D CA -0.623 53.472 54.000 0.158 0.000 0.832 380 D CB 0.594 41.455 40.800 0.102 0.000 1.101 380 D HN -0.075 nan 8.370 nan 0.000 0.515 381 F N 0.188 120.223 119.950 0.143 0.000 2.668 381 F HA 0.725 5.259 4.527 0.011 0.000 0.309 381 F C -1.051 174.835 175.800 0.143 0.000 1.117 381 F CA -0.894 57.250 58.000 0.240 0.000 0.951 381 F CB 1.168 40.358 39.000 0.317 0.000 1.323 381 F HN 0.020 nan 8.300 nan 0.000 0.451 382 S N 1.278 117.137 115.700 0.265 0.000 2.651 382 S HA 0.649 5.126 4.470 0.012 0.000 0.279 382 S C -0.998 173.702 174.600 0.167 0.000 1.148 382 S CA -0.796 57.454 58.200 0.083 0.000 0.837 382 S CB 1.745 64.975 63.200 0.050 0.000 1.138 382 S HN 0.596 nan 8.310 nan 0.000 0.478 383 I N 2.244 122.858 120.570 0.074 0.000 2.710 383 I HA 0.131 4.308 4.170 0.012 0.000 0.286 383 I C 1.105 177.266 176.117 0.072 0.000 1.181 383 I CA -0.203 61.142 61.300 0.075 0.000 1.430 383 I CB -0.339 37.678 38.000 0.028 0.000 1.367 383 I HN 0.795 nan 8.210 nan 0.000 0.577 384 A N 8.933 131.798 122.820 0.076 0.000 2.565 384 A HA 0.198 4.525 4.320 0.012 0.000 0.237 384 A C -2.040 175.561 177.584 0.028 0.000 1.053 384 A CA -0.637 51.429 52.037 0.048 0.000 0.755 384 A CB -0.975 18.048 19.000 0.038 0.000 0.980 384 A HN 0.528 nan 8.150 nan 0.000 0.506 385 P HA 0.224 nan 4.420 nan 0.000 0.262 385 P C 1.161 178.466 177.300 0.007 0.000 1.182 385 P CA 1.838 64.943 63.100 0.009 0.000 0.761 385 P CB 0.546 32.248 31.700 0.003 0.000 0.795 386 G N 2.024 110.828 108.800 0.006 0.000 2.284 386 G HA2 -0.238 3.729 3.960 0.012 0.000 0.247 386 G HA3 -0.238 3.729 3.960 0.012 0.000 0.247 386 G C 0.475 175.379 174.900 0.007 0.000 1.012 386 G CA 0.040 45.143 45.100 0.005 0.000 0.618 386 G HN 0.867 nan 8.290 nan 0.000 0.521 387 A N -0.164 122.663 122.820 0.012 0.000 2.425 387 A HA 0.672 5.000 4.320 0.012 0.000 0.249 387 A C 0.257 177.848 177.584 0.010 0.000 1.084 387 A CA 0.831 52.877 52.037 0.015 0.000 0.781 387 A CB 0.621 19.636 19.000 0.024 0.000 1.019 387 A HN 0.607 nan 8.150 nan 0.000 0.490 388 Q N 1.493 121.298 119.800 0.008 0.000 2.333 388 Q HA 0.481 4.828 4.340 0.012 0.000 0.268 388 Q C -0.798 175.203 176.000 0.001 0.000 1.007 388 Q CA -0.411 55.393 55.803 0.001 0.000 0.810 388 Q CB 1.132 29.869 28.738 -0.002 0.000 1.264 388 Q HN 0.631 nan 8.270 nan 0.000 0.452 389 I N 3.616 124.181 120.570 -0.008 0.000 2.496 389 I HA 0.170 4.347 4.170 0.012 0.000 0.285 389 I C 0.038 176.134 176.117 -0.036 0.000 1.080 389 I CA -0.197 61.103 61.300 -0.000 0.000 1.404 389 I CB 0.726 38.737 38.000 0.018 0.000 1.403 389 I HN 0.529 nan 8.210 nan 0.000 0.539 390 Q N 5.984 125.798 119.800 0.023 0.000 2.293 390 Q HA 0.430 4.777 4.340 0.012 0.000 0.261 390 Q C -0.486 175.620 176.000 0.178 0.000 0.960 390 Q CA -0.414 55.413 55.803 0.041 0.000 0.882 390 Q CB 1.906 30.675 28.738 0.052 0.000 1.275 390 Q HN 0.579 nan 8.270 nan 0.000 0.445 391 H N 0.633 119.764 119.070 0.101 0.000 2.517 391 H HA 0.498 5.061 4.556 0.012 0.000 0.346 391 H C -0.048 175.360 175.328 0.133 0.000 1.222 391 H CA -0.849 55.284 56.048 0.141 0.000 1.314 391 H CB 1.676 31.595 29.762 0.262 0.000 1.609 391 H HN 0.403 nan 8.280 nan 0.000 0.571 392 K N 0.012 120.577 120.400 0.275 0.000 2.435 392 K HA 0.592 4.920 4.320 0.012 0.000 0.251 392 K C -1.210 175.545 176.600 0.258 0.000 0.954 392 K CA -0.979 55.436 56.287 0.213 0.000 0.820 392 K CB 2.498 35.082 32.500 0.141 0.000 1.292 392 K HN 0.372 nan 8.250 nan 0.000 0.436 393 S N -0.037 115.819 115.700 0.261 0.000 2.513 393 S HA 0.884 5.362 4.470 0.012 0.000 0.299 393 S C -0.564 174.209 174.600 0.288 0.000 1.087 393 S CA 0.214 58.616 58.200 0.337 0.000 1.012 393 S CB 1.437 64.870 63.200 0.389 0.000 1.044 393 S HN 1.036 nan 8.310 nan 0.000 0.485 394 G N 2.751 111.709 108.800 0.263 0.000 2.441 394 G HA2 0.204 4.172 3.960 0.012 0.000 0.225 394 G HA3 0.204 4.172 3.960 0.012 0.000 0.225 394 G C 0.280 175.224 174.900 0.073 0.000 1.200 394 G CA -0.231 44.938 45.100 0.115 0.000 0.947 394 G HN 0.610 nan 8.290 nan 0.000 0.484 395 I N 0.105 120.722 120.570 0.079 0.000 2.252 395 I HA 0.029 4.206 4.170 0.012 0.000 0.245 395 I C 0.491 176.624 176.117 0.027 0.000 1.102 395 I CA 1.153 62.482 61.300 0.050 0.000 1.385 395 I CB -0.065 37.951 38.000 0.026 0.000 1.064 395 I HN -0.001 nan 8.210 nan 0.000 0.414 396 V N 1.183 121.127 119.914 0.050 0.000 2.349 396 V HA 0.242 4.369 4.120 0.012 0.000 0.284 396 V C 0.037 176.185 176.094 0.090 0.000 1.014 396 V CA -0.533 61.798 62.300 0.052 0.000 0.826 396 V CB 1.120 32.979 31.823 0.059 0.000 1.009 396 V HN 0.098 nan 8.190 nan 0.000 0.431 397 S N 2.807 118.562 115.700 0.092 0.000 2.593 397 S HA 0.802 5.279 4.470 0.012 0.000 0.269 397 S C 0.592 175.349 174.600 0.261 0.000 1.334 397 S CA 0.285 58.595 58.200 0.182 0.000 1.015 397 S CB 1.541 64.828 63.200 0.145 0.000 0.912 397 S HN 1.112 nan 8.310 nan 0.000 0.541 398 G N -0.341 108.579 108.800 0.199 0.000 2.619 398 G HA2 0.539 4.506 3.960 0.012 0.000 0.305 398 G HA3 0.539 4.506 3.960 0.012 0.000 0.305 398 G C -1.888 172.790 174.900 -0.370 0.000 1.330 398 G CA -0.510 44.491 45.100 -0.165 0.000 0.789 398 G HN 0.629 nan 8.290 nan 0.000 0.487 399 V N 1.343 120.978 119.914 -0.465 0.000 2.448 399 V HA 0.309 4.437 4.120 0.012 0.000 0.295 399 V C 0.789 176.834 176.094 -0.082 0.000 1.025 399 V CA -0.570 61.569 62.300 -0.268 0.000 0.859 399 V CB 1.586 33.166 31.823 -0.404 0.000 0.988 399 V HN 0.745 nan 8.190 nan 0.000 0.431 400 Q N 2.765 122.576 119.800 0.019 0.000 2.079 400 Q HA 0.126 4.474 4.340 0.012 0.000 0.200 400 Q C 0.640 176.650 176.000 0.017 0.000 0.974 400 Q CA 1.410 57.228 55.803 0.024 0.000 0.840 400 Q CB 0.331 29.098 28.738 0.048 0.000 0.898 400 Q HN 0.918 nan 8.270 nan 0.000 0.430 401 A N -0.296 122.539 122.820 0.026 0.000 2.599 401 A HA 0.526 4.853 4.320 0.012 0.000 0.294 401 A C -1.889 175.723 177.584 0.048 0.000 1.055 401 A CA -0.621 51.437 52.037 0.035 0.000 0.683 401 A CB 1.041 20.064 19.000 0.037 0.000 1.278 401 A HN 0.082 nan 8.150 nan 0.000 0.412 402 L N 2.338 123.606 121.223 0.074 0.000 2.481 402 L HA 0.487 4.834 4.340 0.012 0.000 0.255 402 L C -2.644 174.300 176.870 0.123 0.000 1.192 402 L CA -1.503 53.388 54.840 0.086 0.000 0.924 402 L CB 1.691 43.801 42.059 0.085 0.000 1.179 402 L HN 0.418 nan 8.230 nan 0.000 0.491 403 P HA 0.201 nan 4.420 nan 0.000 0.276 403 P C -0.856 176.531 177.300 0.146 0.000 1.264 403 P CA 0.240 63.407 63.100 0.112 0.000 0.769 403 P CB 0.728 32.469 31.700 0.070 0.000 0.840 404 L N 4.080 125.440 121.223 0.229 0.000 2.330 404 L HA 0.705 5.053 4.340 0.012 0.000 0.271 404 L C 0.535 177.587 176.870 0.304 0.000 1.013 404 L CA -1.216 53.830 54.840 0.344 0.000 0.816 404 L CB 2.154 44.513 42.059 0.501 0.000 1.287 404 L HN 0.196 nan 8.230 nan 0.000 0.435 405 V N -1.314 118.802 119.914 0.336 0.000 3.040 405 V HA 0.803 4.930 4.120 0.012 0.000 0.312 405 V C -1.549 174.792 176.094 0.410 0.000 1.115 405 V CA -0.626 61.735 62.300 0.101 0.000 0.998 405 V CB 1.770 33.598 31.823 0.007 0.000 1.042 405 V HN 0.979 nan 8.190 nan 0.000 0.433 406 W N 0.532 121.911 121.300 0.131 0.000 3.059 406 W HA 0.738 5.406 4.660 0.014 0.000 0.329 406 W C -1.720 174.840 176.519 0.068 0.000 1.246 406 W CA -0.684 56.736 57.345 0.124 0.000 1.190 406 W CB 0.903 30.462 29.460 0.165 0.000 1.423 406 W HN 0.680 nan 8.180 nan 0.000 0.571 407 D N 1.854 122.420 120.400 0.277 0.000 2.313 407 D HA 0.369 5.016 4.640 0.012 0.000 0.239 407 D C -1.482 174.968 176.300 0.250 0.000 1.142 407 D CA -2.493 51.600 54.000 0.155 0.000 0.847 407 D CB 1.897 42.764 40.800 0.110 0.000 1.082 407 D HN 0.050 nan 8.370 nan 0.000 0.480 408 P HA -0.117 nan 4.420 nan 0.000 0.220 408 P C 0.822 178.197 177.300 0.126 0.000 1.144 408 P CA 1.122 64.347 63.100 0.209 0.000 0.800 408 P CB 0.212 31.977 31.700 0.109 0.000 0.772 409 A N -0.668 122.207 122.820 0.091 0.000 2.119 409 A HA -0.101 4.227 4.320 0.012 0.000 0.217 409 A C 1.961 179.580 177.584 0.058 0.000 1.153 409 A CA 1.887 53.960 52.037 0.059 0.000 0.692 409 A CB -1.508 17.518 19.000 0.044 0.000 0.799 409 A HN 0.338 nan 8.150 nan 0.000 0.458 410 T N -2.365 112.239 114.554 0.083 0.000 3.086 410 T HA 0.183 4.540 4.350 0.012 0.000 0.250 410 T C 0.763 175.488 174.700 0.041 0.000 1.074 410 T CA 0.596 62.736 62.100 0.066 0.000 0.988 410 T CB -0.805 68.116 68.868 0.087 0.000 0.988 410 T HN 0.485 nan 8.240 nan 0.000 0.530 411 T N -0.707 113.869 114.554 0.036 0.000 2.927 411 T HA 0.536 4.893 4.350 0.012 0.000 0.281 411 T C -0.615 174.062 174.700 -0.037 0.000 0.998 411 T CA -0.971 61.109 62.100 -0.034 0.000 1.019 411 T CB 1.895 70.733 68.868 -0.051 0.000 1.061 411 T HN 0.219 nan 8.240 nan 0.000 0.518 412 K N 0.814 121.169 120.400 -0.075 0.000 2.394 412 K HA 0.629 4.956 4.320 0.012 0.000 0.260 412 K C -0.265 176.295 176.600 -0.065 0.000 0.967 412 K CA -0.806 55.447 56.287 -0.056 0.000 0.855 412 K CB 1.138 33.606 32.500 -0.053 0.000 1.101 412 K HN 0.886 nan 8.250 nan 0.000 0.433 413 A N 3.167 125.963 122.820 -0.040 0.000 2.351 413 A HA 0.366 4.694 4.320 0.012 0.000 0.257 413 A C -0.000 177.564 177.584 -0.033 0.000 1.087 413 A CA -0.558 51.457 52.037 -0.036 0.000 0.798 413 A CB 0.609 19.599 19.000 -0.017 0.000 1.033 413 A HN 0.523 nan 8.150 nan 0.000 0.488 414 V N 0.000 119.895 119.914 -0.031 0.000 2.409 414 V HA 0.000 4.127 4.120 0.012 0.000 0.244 414 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 414 V CB 0.000 31.811 31.823 -0.021 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556