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 1bf6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SFDPTGYTLA HEHLHIDLSG FKNNVDCRLD QYAFICQEMN DLMTRGVRNV DATA SEQUENCE IEMTNRYMGR NAQFMLDVMR ETGINVVACT GYYQDAFFPE HVATRSVQEL DATA SEQUENCE AQEMVDEIEQ GIDGTELKAG IIAEIGTSEG KITPLEEKVF IAAALAHNQT DATA SEQUENCE GRPISTHTSF STMGLEQLAL LQAHGVDLSR VTVGHCDLKD NLDNILKMID DATA SEQUENCE LGAYVQFDTI GKNSYYPDEK RIAMLHALRD RGLLNRVMLS MDITRRSHLK DATA SEQUENCE ANGGYGYDYL LTTFIPQLRQ SGFSQADVDV MLRENPSQFF Q 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.655 174.600 0.092 0.000 1.055 2 S CA 0.000 58.241 58.200 0.068 0.000 1.107 2 S CB 0.000 63.255 63.200 0.092 0.000 0.593 3 F N 3.764 123.720 119.950 0.010 0.000 2.578 3 F HA 0.447 4.974 4.527 0.000 0.000 0.381 3 F C 0.024 175.837 175.800 0.022 0.000 1.069 3 F CA 0.117 58.129 58.000 0.019 0.000 1.231 3 F CB 0.639 39.664 39.000 0.041 0.000 1.086 3 F HN 0.409 nan 8.300 nan 0.000 0.564 4 D N 8.814 129.033 120.400 -0.303 0.000 2.454 4 D HA 0.243 4.883 4.640 0.000 0.000 0.225 4 D C -1.870 174.349 176.300 -0.135 0.000 1.081 4 D CA -2.368 51.550 54.000 -0.137 0.000 0.864 4 D CB 1.454 42.154 40.800 -0.167 0.000 1.040 4 D HN 0.273 nan 8.370 nan 0.000 0.517 5 P HA -0.063 nan 4.420 nan 0.000 0.237 5 P C 1.041 178.415 177.300 0.123 0.000 1.178 5 P CA 0.637 63.906 63.100 0.283 0.000 0.766 5 P CB 0.065 31.949 31.700 0.306 0.000 0.876 6 T N -3.989 110.586 114.554 0.035 0.000 3.088 6 T HA 0.216 4.566 4.350 0.000 0.000 0.259 6 T C 1.100 175.754 174.700 -0.075 0.000 1.122 6 T CA 0.312 62.407 62.100 -0.009 0.000 1.095 6 T CB -0.422 68.433 68.868 -0.023 0.000 0.930 6 T HN 0.039 nan 8.240 nan 0.000 0.508 7 G N -0.540 108.202 108.800 -0.097 0.000 2.667 7 G HA2 0.571 4.531 3.960 0.000 0.000 0.310 7 G HA3 0.571 4.531 3.960 0.000 0.000 0.310 7 G C -1.310 173.557 174.900 -0.054 0.000 1.259 7 G CA -1.038 43.962 45.100 -0.168 0.000 1.019 7 G HN 0.166 nan 8.290 nan 0.000 0.496 8 Y N -0.471 119.818 120.300 -0.019 0.000 2.314 8 Y HA 0.478 5.028 4.550 0.001 0.000 0.334 8 Y C 1.046 176.930 175.900 -0.027 0.000 1.266 8 Y CA -0.480 57.626 58.100 0.010 0.000 1.391 8 Y CB 1.216 39.692 38.460 0.026 0.000 1.306 8 Y HN 0.239 nan 8.280 nan 0.000 0.558 9 T N 3.404 118.082 114.554 0.207 0.000 2.879 9 T HA 0.392 4.742 4.350 0.000 0.000 0.290 9 T C -1.078 173.677 174.700 0.092 0.000 0.993 9 T CA -0.646 61.511 62.100 0.096 0.000 0.975 9 T CB 0.869 69.844 68.868 0.178 0.000 0.981 9 T HN 0.150 nan 8.240 nan 0.000 0.439 10 L N 3.073 124.319 121.223 0.038 0.000 2.261 10 L HA 0.479 4.819 4.340 0.000 0.000 0.289 10 L C 1.412 178.291 176.870 0.015 0.000 1.059 10 L CA -0.077 54.797 54.840 0.058 0.000 0.816 10 L CB 0.661 42.766 42.059 0.076 0.000 1.191 10 L HN 0.909 nan 8.230 nan 0.000 0.431 11 A N 3.292 126.159 122.820 0.078 0.000 2.172 11 A HA -0.086 4.234 4.320 0.000 0.000 0.216 11 A C 0.624 178.265 177.584 0.095 0.000 1.154 11 A CA 0.876 52.966 52.037 0.087 0.000 0.701 11 A CB -0.610 18.554 19.000 0.274 0.000 0.789 11 A HN 0.810 nan 8.150 nan 0.000 0.465 12 H N -0.582 118.484 119.070 -0.007 0.000 3.221 12 H HA 0.379 4.935 4.556 0.001 0.000 0.324 12 H C -1.333 173.978 175.328 -0.029 0.000 1.212 12 H CA -0.457 55.576 56.048 -0.025 0.000 1.624 12 H CB 0.385 30.165 29.762 0.029 0.000 1.899 12 H HN 0.186 nan 8.280 nan 0.000 0.538 13 E N 2.341 122.470 120.200 -0.119 0.000 2.446 13 E HA 0.332 4.683 4.350 0.000 0.000 0.276 13 E C -0.939 175.458 176.600 -0.339 0.000 0.969 13 E CA -0.896 55.495 56.400 -0.015 0.000 0.800 13 E CB 1.942 31.735 29.700 0.154 0.000 1.341 13 E HN 0.563 nan 8.360 nan 0.000 0.460 14 H N 1.131 120.308 119.070 0.179 0.000 2.609 14 H HA 0.363 4.920 4.556 0.000 0.000 0.344 14 H C 0.601 176.043 175.328 0.191 0.000 1.040 14 H CA -0.257 55.855 56.048 0.106 0.000 1.216 14 H CB 1.639 31.433 29.762 0.054 0.000 1.529 14 H HN 0.250 nan 8.280 nan 0.000 0.519 15 L N 1.306 122.660 121.223 0.217 0.000 2.425 15 L HA 0.097 4.438 4.340 0.000 0.000 0.215 15 L C 0.537 177.497 176.870 0.149 0.000 1.065 15 L CA 0.528 55.512 54.840 0.240 0.000 0.842 15 L CB 0.454 42.648 42.059 0.225 0.000 1.033 15 L HN 0.490 nan 8.230 nan 0.000 0.474 16 H N 0.527 119.549 119.070 -0.080 0.000 3.177 16 H HA 0.458 5.014 4.556 0.000 0.000 0.314 16 H C -1.766 173.461 175.328 -0.168 0.000 1.059 16 H CA -0.387 55.449 56.048 -0.354 0.000 1.515 16 H CB 1.730 31.033 29.762 -0.764 0.000 1.672 16 H HN 0.010 nan 8.280 nan 0.000 0.514 17 I N 3.867 124.287 120.570 -0.249 0.000 2.769 17 I HA 0.286 4.456 4.170 0.000 0.000 0.298 17 I C -1.471 174.506 176.117 -0.232 0.000 1.128 17 I CA -0.577 60.634 61.300 -0.148 0.000 1.031 17 I CB 2.279 40.154 38.000 -0.208 0.000 1.235 17 I HN 0.460 nan 8.210 nan 0.000 0.423 18 D N 7.272 127.613 120.400 -0.099 0.000 2.330 18 D HA 0.309 4.949 4.640 0.000 0.000 0.249 18 D C -0.522 175.843 176.300 0.108 0.000 1.306 18 D CA -0.178 53.801 54.000 -0.035 0.000 0.956 18 D CB 1.063 41.859 40.800 -0.007 0.000 1.261 18 D HN 0.511 nan 8.370 nan 0.000 0.544 19 L N 2.332 123.624 121.223 0.115 0.000 2.872 19 L HA 0.103 4.444 4.340 0.000 0.000 0.245 19 L C 1.968 179.041 176.870 0.338 0.000 1.211 19 L CA -0.035 54.999 54.840 0.324 0.000 1.013 19 L CB 0.187 42.348 42.059 0.170 0.000 1.326 19 L HN 0.259 nan 8.230 nan 0.000 0.525 20 S N -0.591 115.218 115.700 0.182 0.000 2.402 20 S HA -0.107 4.363 4.470 0.000 0.000 0.229 20 S C 1.995 176.659 174.600 0.106 0.000 1.021 20 S CA 1.067 59.336 58.200 0.114 0.000 0.974 20 S CB -0.413 62.814 63.200 0.045 0.000 0.800 20 S HN 0.443 nan 8.310 nan 0.000 0.484 21 G N 0.423 109.274 108.800 0.083 0.000 2.422 21 G HA2 0.008 3.968 3.960 0.000 0.000 0.218 21 G HA3 0.008 3.968 3.960 0.000 0.000 0.218 21 G C 1.016 175.849 174.900 -0.111 0.000 1.140 21 G CA 0.549 45.607 45.100 -0.069 0.000 0.775 21 G HN 0.579 nan 8.290 nan 0.000 0.545 22 F N 0.740 120.711 119.950 0.036 0.000 2.293 22 F HA 0.196 4.724 4.527 0.001 0.000 0.297 22 F C 2.464 178.247 175.800 -0.028 0.000 1.089 22 F CA 0.872 58.855 58.000 -0.027 0.000 1.377 22 F CB 0.288 39.254 39.000 -0.056 0.000 1.051 22 F HN -0.050 nan 8.300 nan 0.000 0.511 23 K N -1.048 119.484 120.400 0.220 0.000 2.335 23 K HA 0.116 4.436 4.320 0.000 0.000 0.195 23 K C 0.067 176.711 176.600 0.073 0.000 1.058 23 K CA 0.333 56.700 56.287 0.134 0.000 0.988 23 K CB -0.298 32.293 32.500 0.151 0.000 0.880 23 K HN 0.008 nan 8.250 nan 0.000 0.513 24 N N 1.235 119.970 118.700 0.059 0.000 2.816 24 N HA -0.181 4.559 4.740 0.000 0.000 0.247 24 N C -0.948 174.579 175.510 0.029 0.000 1.100 24 N CA 0.514 53.581 53.050 0.029 0.000 0.687 24 N CB -1.839 36.659 38.487 0.017 0.000 1.003 24 N HN 0.484 nan 8.380 nan 0.000 0.554 25 N N -0.535 118.187 118.700 0.037 0.000 2.519 25 N HA 0.300 5.040 4.740 0.000 0.000 0.286 25 N C 0.681 176.199 175.510 0.014 0.000 1.079 25 N CA -0.432 52.632 53.050 0.024 0.000 0.878 25 N CB 1.268 39.772 38.487 0.029 0.000 1.375 25 N HN -0.044 nan 8.380 nan 0.000 0.514 26 V N 2.985 122.901 119.914 0.004 0.000 2.867 26 V HA -0.157 3.963 4.120 0.000 0.000 0.260 26 V C 1.486 177.567 176.094 -0.022 0.000 1.099 26 V CA 1.967 64.263 62.300 -0.006 0.000 1.122 26 V CB -0.415 31.406 31.823 -0.003 0.000 0.708 26 V HN 0.739 nan 8.190 nan 0.000 0.490 27 D N -0.604 119.779 120.400 -0.028 0.000 2.178 27 D HA -0.143 4.497 4.640 0.000 0.000 0.201 27 D C 1.858 178.109 176.300 -0.080 0.000 0.980 27 D CA 1.708 55.672 54.000 -0.059 0.000 0.842 27 D CB -0.335 40.422 40.800 -0.071 0.000 0.948 27 D HN 0.578 nan 8.370 nan 0.000 0.472 28 C N 0.262 119.533 119.300 -0.048 0.000 2.539 28 C HA 0.176 4.637 4.460 0.000 0.000 0.271 28 C C 1.399 176.352 174.990 -0.062 0.000 1.412 28 C CA -0.396 58.595 59.018 -0.046 0.000 1.729 28 C CB -1.662 26.089 27.740 0.018 0.000 1.739 28 C HN 0.152 nan 8.230 nan 0.000 0.570 29 R N 1.516 121.974 120.500 -0.070 0.000 2.755 29 R HA 0.338 4.679 4.340 0.000 0.000 0.268 29 R C -0.516 175.689 176.300 -0.157 0.000 1.295 29 R CA -0.449 55.585 56.100 -0.110 0.000 1.379 29 R CB -0.291 29.966 30.300 -0.072 0.000 1.170 29 R HN 0.220 nan 8.270 nan 0.000 0.584 30 L N 5.215 126.317 121.223 -0.202 0.000 2.401 30 L HA 0.214 4.554 4.340 0.000 0.000 0.283 30 L C -0.598 176.061 176.870 -0.352 0.000 1.151 30 L CA 0.470 55.205 54.840 -0.175 0.000 0.942 30 L CB 0.546 42.545 42.059 -0.099 0.000 1.283 30 L HN 0.635 nan 8.230 nan 0.000 0.442 31 D N 1.798 122.043 120.400 -0.259 0.000 2.672 31 D HA 0.001 4.641 4.640 0.000 0.000 0.287 31 D C -0.327 176.060 176.300 0.144 0.000 1.559 31 D CA -0.222 53.587 54.000 -0.319 0.000 0.796 31 D CB -0.251 40.297 40.800 -0.420 0.000 1.181 31 D HN 0.512 nan 8.370 nan 0.000 0.458 32 Q N 0.964 120.869 119.800 0.176 0.000 2.452 32 Q HA 0.110 4.451 4.340 0.000 0.000 0.230 32 Q C 0.137 176.300 176.000 0.273 0.000 1.180 32 Q CA -0.528 55.362 55.803 0.145 0.000 0.914 32 Q CB 0.724 29.477 28.738 0.026 0.000 1.408 32 Q HN 0.189 nan 8.270 nan 0.000 0.520 33 Y N 2.950 123.380 120.300 0.218 0.000 2.014 33 Y HA -0.402 4.148 4.550 0.000 0.000 0.272 33 Y C 2.102 177.982 175.900 -0.033 0.000 1.164 33 Y CA 2.439 60.563 58.100 0.039 0.000 1.114 33 Y CB -0.292 38.089 38.460 -0.131 0.000 0.961 33 Y HN 0.669 nan 8.280 nan 0.000 0.489 34 A N -0.101 122.632 122.820 -0.145 0.000 1.892 34 A HA -0.215 4.105 4.320 0.000 0.000 0.218 34 A C 2.110 179.700 177.584 0.009 0.000 1.188 34 A CA 2.017 53.948 52.037 -0.176 0.000 0.631 34 A CB -1.430 17.505 19.000 -0.108 0.000 0.822 34 A HN 0.516 nan 8.150 nan 0.000 0.447 35 F N -0.417 119.522 119.950 -0.017 0.000 2.134 35 F HA -0.120 4.408 4.527 0.000 0.000 0.299 35 F C 2.220 178.029 175.800 0.015 0.000 1.097 35 F CA 0.215 58.222 58.000 0.012 0.000 1.264 35 F CB -0.972 38.059 39.000 0.051 0.000 1.001 35 F HN 0.102 nan 8.300 nan 0.000 0.479 36 I N -0.532 120.174 120.570 0.227 0.000 2.315 36 I HA -0.254 3.916 4.170 0.000 0.000 0.248 36 I C 2.526 178.621 176.117 -0.037 0.000 1.117 36 I CA 0.790 62.184 61.300 0.157 0.000 1.404 36 I CB -1.356 36.818 38.000 0.290 0.000 1.071 36 I HN 0.163 nan 8.210 nan 0.000 0.419 37 C N -0.005 119.172 119.300 -0.206 0.000 2.429 37 C HA -0.175 4.285 4.460 0.000 0.000 0.277 37 C C 2.779 177.694 174.990 -0.125 0.000 1.262 37 C CA 0.631 59.487 59.018 -0.270 0.000 1.733 37 C CB -1.024 26.428 27.740 -0.481 0.000 2.010 37 C HN 0.526 nan 8.230 nan 0.000 0.483 38 Q N 0.270 120.040 119.800 -0.049 0.000 2.124 38 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 38 Q C 2.226 178.233 176.000 0.010 0.000 0.977 38 Q CA 1.234 57.037 55.803 -0.001 0.000 0.850 38 Q CB -0.151 28.618 28.738 0.052 0.000 0.901 38 Q HN 0.655 nan 8.270 nan 0.000 0.429 39 E N 0.013 120.236 120.200 0.038 0.000 2.153 39 E HA -0.145 4.205 4.350 0.000 0.000 0.194 39 E C 1.907 178.491 176.600 -0.026 0.000 0.988 39 E CA 0.863 57.305 56.400 0.069 0.000 0.811 39 E CB 0.005 29.832 29.700 0.211 0.000 0.746 39 E HN 0.410 nan 8.360 nan 0.000 0.466 40 M N 0.422 119.962 119.600 -0.100 0.000 2.200 40 M HA -0.075 4.405 4.480 0.000 0.000 0.265 40 M C 1.647 177.905 176.300 -0.070 0.000 1.066 40 M CA 1.043 56.266 55.300 -0.128 0.000 1.127 40 M CB -1.201 31.309 32.600 -0.150 0.000 1.379 40 M HN 0.104 nan 8.290 nan 0.000 0.420 41 N N 0.458 119.126 118.700 -0.053 0.000 2.166 41 N HA -0.169 4.571 4.740 0.000 0.000 0.186 41 N C 1.092 176.596 175.510 -0.011 0.000 1.019 41 N CA 1.127 54.156 53.050 -0.034 0.000 0.856 41 N CB 0.003 38.471 38.487 -0.031 0.000 0.993 41 N HN 0.287 nan 8.380 nan 0.000 0.426 42 D N 0.991 121.395 120.400 0.006 0.000 2.117 42 D HA -0.089 4.551 4.640 0.000 0.000 0.197 42 D C 2.006 178.330 176.300 0.039 0.000 0.987 42 D CA 0.660 54.678 54.000 0.030 0.000 0.829 42 D CB -0.305 40.527 40.800 0.054 0.000 0.961 42 D HN 0.236 nan 8.370 nan 0.000 0.460 43 L N 0.138 121.380 121.223 0.033 0.000 2.046 43 L HA -0.148 4.192 4.340 0.000 0.000 0.208 43 L C 2.480 179.369 176.870 0.032 0.000 1.077 43 L CA 0.750 55.617 54.840 0.045 0.000 0.747 43 L CB -0.313 41.753 42.059 0.011 0.000 0.896 43 L HN 0.066 nan 8.230 nan 0.000 0.432 44 M N -0.442 119.157 119.600 -0.001 0.000 2.149 44 M HA -0.177 4.303 4.480 0.000 0.000 0.261 44 M C 2.541 178.838 176.300 -0.006 0.000 1.064 44 M CA 2.323 57.614 55.300 -0.015 0.000 1.102 44 M CB -1.452 31.129 32.600 -0.031 0.000 1.369 44 M HN 0.459 nan 8.290 nan 0.000 0.408 45 T N -1.419 113.139 114.554 0.007 0.000 2.962 45 T HA -0.081 4.269 4.350 0.000 0.000 0.270 45 T C 1.544 176.259 174.700 0.024 0.000 1.088 45 T CA 0.743 62.849 62.100 0.010 0.000 1.127 45 T CB -0.121 68.754 68.868 0.013 0.000 0.883 45 T HN 0.243 nan 8.240 nan 0.000 0.493 46 R N 0.839 121.370 120.500 0.052 0.000 2.426 46 R HA 0.367 4.707 4.340 0.000 0.000 0.263 46 R C 1.743 178.118 176.300 0.125 0.000 0.961 46 R CA 0.497 56.654 56.100 0.095 0.000 1.086 46 R CB -0.230 30.145 30.300 0.126 0.000 1.186 46 R HN 0.635 nan 8.270 nan 0.000 0.537 47 G N 0.456 109.268 108.800 0.020 0.000 2.175 47 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 47 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 47 G C 0.207 175.054 174.900 -0.089 0.000 0.982 47 G CA 0.078 45.106 45.100 -0.121 0.000 0.641 47 G HN 0.160 nan 8.290 nan 0.000 0.527 48 V N 1.342 121.301 119.914 0.075 0.000 2.555 48 V HA 0.484 4.604 4.120 0.000 0.000 0.286 48 V C 1.393 177.471 176.094 -0.027 0.000 1.044 48 V CA 0.088 62.441 62.300 0.088 0.000 1.026 48 V CB 1.472 33.354 31.823 0.099 0.000 0.981 48 V HN 0.321 nan 8.190 nan 0.000 0.480 49 R N 2.095 122.550 120.500 -0.075 0.000 2.435 49 R HA 0.295 4.635 4.340 0.000 0.000 0.221 49 R C -0.129 176.052 176.300 -0.199 0.000 0.885 49 R CA 0.096 56.113 56.100 -0.139 0.000 1.018 49 R CB 0.428 30.626 30.300 -0.170 0.000 1.259 49 R HN 0.668 nan 8.270 nan 0.000 0.597 50 N N 0.522 119.087 118.700 -0.226 0.000 2.229 50 N HA 0.373 5.113 4.740 0.000 0.000 0.298 50 N C -1.165 174.245 175.510 -0.166 0.000 1.114 50 N CA -0.473 52.413 53.050 -0.273 0.000 0.776 50 N CB 3.323 41.476 38.487 -0.557 0.000 1.501 50 N HN -0.294 nan 8.380 nan 0.000 0.474 51 V N 2.131 121.954 119.914 -0.153 0.000 2.569 51 V HA 0.349 4.469 4.120 0.000 0.000 0.301 51 V C -0.445 175.549 176.094 -0.166 0.000 1.044 51 V CA -0.789 61.431 62.300 -0.134 0.000 0.874 51 V CB 2.050 33.799 31.823 -0.123 0.000 1.002 51 V HN 0.515 nan 8.190 nan 0.000 0.424 52 I N 3.803 124.233 120.570 -0.233 0.000 2.291 52 I HA 0.341 4.511 4.170 0.000 0.000 0.292 52 I C 0.580 176.553 176.117 -0.241 0.000 1.064 52 I CA -0.184 60.936 61.300 -0.299 0.000 1.269 52 I CB 0.677 38.347 38.000 -0.550 0.000 1.418 52 I HN 0.618 nan 8.210 nan 0.000 0.485 53 E N 6.746 126.831 120.200 -0.190 0.000 2.223 53 E HA 0.171 4.521 4.350 0.000 0.000 0.282 53 E C 0.296 176.739 176.600 -0.262 0.000 1.046 53 E CA -0.251 56.027 56.400 -0.204 0.000 0.857 53 E CB 1.235 30.877 29.700 -0.096 0.000 1.055 53 E HN 0.378 nan 8.360 nan 0.000 0.409 54 M N 2.451 121.770 119.600 -0.469 0.000 2.453 54 M HA 0.060 4.540 4.480 0.000 0.000 0.239 54 M C 0.178 176.381 176.300 -0.162 0.000 1.151 54 M CA 0.213 55.245 55.300 -0.447 0.000 0.989 54 M CB -0.320 31.749 32.600 -0.886 0.000 1.548 54 M HN 0.072 nan 8.290 nan 0.000 0.479 55 T N 2.862 117.388 114.554 -0.046 0.000 2.739 55 T HA 0.242 4.592 4.350 0.000 0.000 0.298 55 T C 0.418 175.090 174.700 -0.046 0.000 0.929 55 T CA -0.574 61.553 62.100 0.046 0.000 1.014 55 T CB -0.173 68.766 68.868 0.118 0.000 0.914 55 T HN 0.418 nan 8.240 nan 0.000 0.509 56 N N 2.263 120.915 118.700 -0.080 0.000 2.379 56 N HA 0.260 5.000 4.740 0.000 0.000 0.260 56 N C 1.265 176.695 175.510 -0.133 0.000 1.254 56 N CA -1.039 51.950 53.050 -0.100 0.000 0.958 56 N CB 0.747 39.176 38.487 -0.096 0.000 1.208 56 N HN 0.378 nan 8.380 nan 0.000 0.532 57 R N -0.758 119.613 120.500 -0.215 0.000 2.143 57 R HA -0.249 4.091 4.340 0.000 0.000 0.239 57 R C 0.634 176.693 176.300 -0.402 0.000 1.126 57 R CA 1.907 57.784 56.100 -0.371 0.000 0.927 57 R CB -0.597 29.355 30.300 -0.581 0.000 0.860 57 R HN 0.736 nan 8.270 nan 0.000 0.433 58 Y N -0.506 119.793 120.300 -0.001 0.000 2.477 58 Y HA 0.104 4.655 4.550 0.000 0.000 0.303 58 Y C 1.401 177.408 175.900 0.178 0.000 1.202 58 Y CA 0.253 58.434 58.100 0.135 0.000 1.282 58 Y CB 0.144 38.731 38.460 0.213 0.000 1.071 58 Y HN 0.138 nan 8.280 nan 0.000 0.510 59 M N -1.035 118.628 119.600 0.104 0.000 2.371 59 M HA 0.296 4.776 4.480 0.000 0.000 0.246 59 M C 1.116 177.438 176.300 0.037 0.000 1.103 59 M CA 0.506 55.804 55.300 -0.002 0.000 1.010 59 M CB 0.795 33.263 32.600 -0.220 0.000 1.457 59 M HN 0.321 nan 8.290 nan 0.000 0.486 60 G N 1.932 110.770 108.800 0.064 0.000 2.167 60 G HA2 -0.205 3.756 3.960 0.000 0.000 0.194 60 G HA3 -0.205 3.756 3.960 0.000 0.000 0.194 60 G C -0.019 174.940 174.900 0.099 0.000 1.027 60 G CA -0.364 44.789 45.100 0.088 0.000 0.717 60 G HN 0.456 nan 8.290 nan 0.000 0.501 61 R N 0.066 120.563 120.500 -0.005 0.000 2.734 61 R HA 0.327 4.667 4.340 0.000 0.000 0.266 61 R C 0.053 176.258 176.300 -0.158 0.000 1.044 61 R CA 0.626 56.701 56.100 -0.040 0.000 1.128 61 R CB 0.164 30.414 30.300 -0.083 0.000 1.010 61 R HN 0.328 nan 8.270 nan 0.000 0.461 62 N N 1.991 120.530 118.700 -0.268 0.000 2.640 62 N HA 0.200 4.940 4.740 0.000 0.000 0.262 62 N C 0.082 175.499 175.510 -0.155 0.000 1.174 62 N CA -0.036 52.785 53.050 -0.382 0.000 0.791 62 N CB 1.267 39.132 38.487 -1.037 0.000 1.279 62 N HN 0.682 nan 8.380 nan 0.000 0.535 63 A N 1.795 124.560 122.820 -0.091 0.000 1.908 63 A HA -0.237 4.083 4.320 0.000 0.000 0.218 63 A C 1.997 179.579 177.584 -0.004 0.000 1.181 63 A CA 1.531 53.547 52.037 -0.034 0.000 0.627 63 A CB -0.410 18.566 19.000 -0.041 0.000 0.818 63 A HN 0.683 nan 8.150 nan 0.000 0.445 64 Q N -1.202 118.587 119.800 -0.020 0.000 2.084 64 Q HA -0.149 4.192 4.340 0.000 0.000 0.202 64 Q C 1.691 177.705 176.000 0.023 0.000 0.978 64 Q CA 1.975 57.770 55.803 -0.014 0.000 0.844 64 Q CB -0.594 28.121 28.738 -0.039 0.000 0.898 64 Q HN 0.630 nan 8.270 nan 0.000 0.426 65 F N -0.179 119.701 119.950 -0.117 0.000 2.126 65 F HA -0.182 4.345 4.527 0.000 0.000 0.299 65 F C 1.844 177.672 175.800 0.047 0.000 1.096 65 F CA 1.630 59.601 58.000 -0.048 0.000 1.255 65 F CB -0.098 38.860 39.000 -0.069 0.000 0.997 65 F HN 0.116 nan 8.300 nan 0.000 0.479 66 M N -0.554 119.221 119.600 0.292 0.000 2.175 66 M HA -0.183 4.298 4.480 0.000 0.000 0.264 66 M C 2.236 178.579 176.300 0.072 0.000 1.063 66 M CA 1.415 56.828 55.300 0.189 0.000 1.119 66 M CB -0.596 32.079 32.600 0.126 0.000 1.377 66 M HN 0.208 nan 8.290 nan 0.000 0.415 67 L N 0.068 121.313 121.223 0.038 0.000 2.046 67 L HA -0.239 4.101 4.340 0.000 0.000 0.208 67 L C 1.968 178.836 176.870 -0.004 0.000 1.077 67 L CA 1.028 55.872 54.840 0.006 0.000 0.747 67 L CB -0.692 41.362 42.059 -0.008 0.000 0.896 67 L HN 0.276 nan 8.230 nan 0.000 0.432 68 D N -0.509 119.879 120.400 -0.019 0.000 2.117 68 D HA -0.141 4.499 4.640 0.000 0.000 0.198 68 D C 2.345 178.687 176.300 0.070 0.000 0.982 68 D CA 1.005 54.995 54.000 -0.016 0.000 0.828 68 D CB -0.250 40.449 40.800 -0.168 0.000 0.967 68 D HN 0.058 nan 8.370 nan 0.000 0.464 69 V N 1.099 121.045 119.914 0.054 0.000 2.287 69 V HA -0.267 3.853 4.120 0.000 0.000 0.248 69 V C 2.529 178.602 176.094 -0.034 0.000 1.053 69 V CA 1.422 63.709 62.300 -0.022 0.000 1.027 69 V CB -0.392 31.411 31.823 -0.033 0.000 0.646 69 V HN 0.234 nan 8.190 nan 0.000 0.447 70 M N -0.724 118.866 119.600 -0.016 0.000 2.117 70 M HA -0.213 4.267 4.480 0.000 0.000 0.262 70 M C 2.424 178.710 176.300 -0.023 0.000 1.065 70 M CA 2.087 57.372 55.300 -0.025 0.000 1.114 70 M CB -0.529 32.061 32.600 -0.017 0.000 1.361 70 M HN 0.217 nan 8.290 nan 0.000 0.408 71 R N 0.771 121.264 120.500 -0.011 0.000 2.081 71 R HA -0.205 4.135 4.340 0.000 0.000 0.235 71 R C 1.930 178.224 176.300 -0.010 0.000 1.131 71 R CA 2.011 58.105 56.100 -0.009 0.000 0.960 71 R CB -0.283 30.015 30.300 -0.004 0.000 0.856 71 R HN 0.261 nan 8.270 nan 0.000 0.436 72 E N -0.730 119.467 120.200 -0.006 0.000 2.046 72 E HA -0.112 4.238 4.350 0.000 0.000 0.190 72 E C 1.651 178.223 176.600 -0.046 0.000 0.982 72 E CA 2.178 58.566 56.400 -0.020 0.000 0.800 72 E CB -0.150 29.533 29.700 -0.028 0.000 0.756 72 E HN 0.512 nan 8.360 nan 0.000 0.449 73 T N -4.376 110.141 114.554 -0.062 0.000 3.014 73 T HA 0.320 4.671 4.350 0.000 0.000 0.250 73 T C 1.599 176.267 174.700 -0.054 0.000 1.060 73 T CA 0.603 62.664 62.100 -0.065 0.000 1.040 73 T CB 0.319 69.134 68.868 -0.087 0.000 0.971 73 T HN 0.375 nan 8.240 nan 0.000 0.497 74 G N 1.361 110.133 108.800 -0.048 0.000 2.179 74 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 74 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 74 G C 0.072 174.938 174.900 -0.057 0.000 0.977 74 G CA 0.172 45.244 45.100 -0.046 0.000 0.641 74 G HN 0.743 nan 8.290 nan 0.000 0.533 75 I N 1.026 121.556 120.570 -0.067 0.000 2.779 75 I HA 0.259 4.429 4.170 0.000 0.000 0.285 75 I C 0.541 176.610 176.117 -0.079 0.000 1.134 75 I CA -0.614 60.636 61.300 -0.082 0.000 1.398 75 I CB 0.643 38.587 38.000 -0.093 0.000 1.404 75 I HN 0.247 nan 8.210 nan 0.000 0.587 76 N N 5.549 124.187 118.700 -0.102 0.000 2.419 76 N HA 0.303 5.044 4.740 0.000 0.000 0.277 76 N C -1.582 173.876 175.510 -0.086 0.000 1.006 76 N CA -0.488 52.509 53.050 -0.089 0.000 0.923 76 N CB 1.443 39.859 38.487 -0.119 0.000 1.140 76 N HN 0.285 nan 8.380 nan 0.000 0.488 77 V N 3.781 123.666 119.914 -0.049 0.000 2.409 77 V HA 0.285 4.405 4.120 0.000 0.000 0.291 77 V C 0.027 176.107 176.094 -0.023 0.000 1.020 77 V CA -0.802 61.471 62.300 -0.046 0.000 0.848 77 V CB 1.635 33.444 31.823 -0.024 0.000 0.990 77 V HN 0.377 nan 8.190 nan 0.000 0.430 78 V N 5.041 124.932 119.914 -0.037 0.000 2.348 78 V HA 0.611 4.731 4.120 0.000 0.000 0.270 78 V C 0.756 176.825 176.094 -0.041 0.000 1.037 78 V CA -0.326 61.965 62.300 -0.015 0.000 0.872 78 V CB 1.178 32.997 31.823 -0.008 0.000 1.002 78 V HN 0.990 nan 8.190 nan 0.000 0.464 79 A N 4.949 127.756 122.820 -0.022 0.000 2.313 79 A HA 0.673 4.993 4.320 0.000 0.000 0.261 79 A C 0.365 177.931 177.584 -0.030 0.000 1.090 79 A CA -0.083 51.936 52.037 -0.031 0.000 0.807 79 A CB 0.545 19.533 19.000 -0.021 0.000 1.055 79 A HN 1.202 nan 8.150 nan 0.000 0.492 80 C N -1.013 118.261 119.300 -0.043 0.000 2.822 80 C HA 0.974 5.434 4.460 0.000 0.000 0.341 80 C C 0.034 175.001 174.990 -0.039 0.000 1.301 80 C CA -0.192 58.806 59.018 -0.034 0.000 1.706 80 C CB 1.077 28.788 27.740 -0.049 0.000 2.178 80 C HN 1.112 nan 8.230 nan 0.000 0.481 81 T N -0.329 114.209 114.554 -0.028 0.000 2.933 81 T HA 0.802 5.153 4.350 0.000 0.000 0.305 81 T C -0.188 174.496 174.700 -0.026 0.000 1.092 81 T CA 0.915 62.993 62.100 -0.037 0.000 1.008 81 T CB 1.091 69.951 68.868 -0.015 0.000 1.102 81 T HN 2.579 nan 8.240 nan 0.000 0.469 82 G N 2.122 110.884 108.800 -0.062 0.000 2.345 82 G HA2 0.358 4.319 3.960 0.000 0.000 0.285 82 G HA3 0.358 4.319 3.960 0.000 0.000 0.285 82 G C -2.488 172.345 174.900 -0.112 0.000 1.297 82 G CA -0.719 44.381 45.100 -0.001 0.000 0.875 82 G HN 0.680 nan 8.290 nan 0.000 0.506 83 Y N -0.614 119.792 120.300 0.177 0.000 2.477 83 Y HA 0.588 5.138 4.550 0.000 0.000 0.347 83 Y C 0.719 176.900 175.900 0.468 0.000 0.981 83 Y CA -0.585 57.714 58.100 0.331 0.000 1.033 83 Y CB 2.022 40.600 38.460 0.197 0.000 1.245 83 Y HN 0.684 nan 8.280 nan 0.000 0.455 84 Y N 2.180 122.731 120.300 0.419 0.000 2.337 84 Y HA -0.036 4.514 4.550 0.000 0.000 0.247 84 Y C 0.366 176.237 175.900 -0.048 0.000 1.036 84 Y CA 1.371 59.521 58.100 0.084 0.000 1.041 84 Y CB 0.048 38.422 38.460 -0.145 0.000 1.021 84 Y HN 0.657 nan 8.280 nan 0.000 0.473 85 Q N -1.621 117.755 119.800 -0.707 0.000 2.565 85 Q HA 0.263 4.603 4.340 0.000 0.000 0.294 85 Q C 0.063 175.148 176.000 -1.526 0.000 1.005 85 Q CA -0.305 54.919 55.803 -0.966 0.000 0.771 85 Q CB 1.437 29.646 28.738 -0.882 0.000 1.486 85 Q HN 0.251 nan 8.270 nan 0.000 0.422 86 D N 1.050 120.821 120.400 -1.050 0.000 2.160 86 D HA -0.287 4.353 4.640 0.000 0.000 0.189 86 D C 1.726 177.783 176.300 -0.405 0.000 1.003 86 D CA 3.139 56.738 54.000 -0.669 0.000 0.846 86 D CB -0.106 40.588 40.800 -0.176 0.000 0.949 86 D HN 0.650 nan 8.370 nan 0.000 0.446 87 A N -1.159 121.501 122.820 -0.267 0.000 2.070 87 A HA -0.080 4.241 4.320 0.000 0.000 0.220 87 A C 1.538 178.931 177.584 -0.318 0.000 1.159 87 A CA 0.974 52.873 52.037 -0.231 0.000 0.656 87 A CB -0.614 18.238 19.000 -0.247 0.000 0.800 87 A HN 0.368 nan 8.150 nan 0.000 0.453 88 F N -2.036 117.713 119.950 -0.335 0.000 2.678 88 F HA 0.351 4.878 4.527 0.000 0.000 0.305 88 F C -0.031 175.828 175.800 0.100 0.000 1.090 88 F CA -1.128 56.732 58.000 -0.233 0.000 1.272 88 F CB -0.021 38.731 39.000 -0.413 0.000 1.060 88 F HN -0.028 nan 8.300 nan 0.000 0.576 89 F N 2.362 122.438 119.950 0.211 0.000 2.529 89 F HA 0.272 4.799 4.527 0.000 0.000 0.365 89 F C -1.584 174.240 175.800 0.041 0.000 1.102 89 F CA -3.336 54.748 58.000 0.139 0.000 1.271 89 F CB -0.577 38.441 39.000 0.030 0.000 1.120 89 F HN -0.168 nan 8.300 nan 0.000 0.579 90 P HA 0.102 nan 4.420 nan 0.000 0.274 90 P C 0.692 177.852 177.300 -0.233 0.000 1.246 90 P CA -0.293 62.684 63.100 -0.205 0.000 0.795 90 P CB 0.698 31.919 31.700 -0.797 0.000 1.006 91 E N 0.572 120.680 120.200 -0.154 0.000 2.118 91 E HA -0.237 4.113 4.350 0.000 0.000 0.195 91 E C 1.686 178.228 176.600 -0.096 0.000 0.992 91 E CA 1.510 57.864 56.400 -0.077 0.000 0.804 91 E CB -0.792 28.899 29.700 -0.015 0.000 0.741 91 E HN 0.689 nan 8.360 nan 0.000 0.458 92 H N -0.145 118.868 119.070 -0.096 0.000 2.543 92 H HA 0.033 4.590 4.556 0.000 0.000 0.286 92 H C 1.814 177.014 175.328 -0.212 0.000 1.037 92 H CA 0.731 56.705 56.048 -0.123 0.000 1.250 92 H CB -0.258 29.448 29.762 -0.094 0.000 1.373 92 H HN -0.057 nan 8.280 nan 0.000 0.580 93 V N 1.438 121.140 119.914 -0.353 0.000 2.515 93 V HA -0.196 3.924 4.120 0.000 0.000 0.250 93 V C 2.981 178.898 176.094 -0.296 0.000 1.058 93 V CA 1.505 63.505 62.300 -0.501 0.000 1.064 93 V CB -0.725 30.577 31.823 -0.869 0.000 0.675 93 V HN 0.675 nan 8.190 nan 0.000 0.461 94 A N 0.572 123.287 122.820 -0.175 0.000 1.930 94 A HA -0.129 4.191 4.320 0.000 0.000 0.215 94 A C 2.442 179.988 177.584 -0.064 0.000 1.176 94 A CA 1.893 53.871 52.037 -0.098 0.000 0.632 94 A CB -0.669 18.302 19.000 -0.049 0.000 0.819 94 A HN 0.595 nan 8.150 nan 0.000 0.445 95 T N -2.334 112.196 114.554 -0.041 0.000 3.014 95 T HA 0.144 4.494 4.350 0.000 0.000 0.263 95 T C 1.082 175.769 174.700 -0.022 0.000 1.078 95 T CA -0.004 62.085 62.100 -0.018 0.000 1.135 95 T CB -0.150 68.720 68.868 0.004 0.000 0.895 95 T HN 0.353 nan 8.240 nan 0.000 0.480 96 R N 2.230 122.712 120.500 -0.031 0.000 2.560 96 R HA 0.495 4.835 4.340 0.000 0.000 0.270 96 R C 0.498 176.768 176.300 -0.051 0.000 1.074 96 R CA -0.222 55.857 56.100 -0.036 0.000 1.140 96 R CB 0.779 31.058 30.300 -0.035 0.000 1.073 96 R HN 0.483 nan 8.270 nan 0.000 0.527 97 S N -0.026 115.652 115.700 -0.036 0.000 2.632 97 S HA 0.037 4.507 4.470 0.000 0.000 0.271 97 S C 1.173 175.749 174.600 -0.040 0.000 1.260 97 S CA -0.903 57.277 58.200 -0.033 0.000 1.010 97 S CB 1.639 64.829 63.200 -0.016 0.000 0.965 97 S HN 0.453 nan 8.310 nan 0.000 0.534 98 V N 1.622 121.514 119.914 -0.036 0.000 2.469 98 V HA -0.214 3.906 4.120 0.000 0.000 0.251 98 V C 2.333 178.419 176.094 -0.014 0.000 1.064 98 V CA 2.397 64.676 62.300 -0.035 0.000 1.066 98 V CB -1.069 30.739 31.823 -0.024 0.000 0.667 98 V HN 0.947 nan 8.190 nan 0.000 0.461 99 Q N -0.023 119.775 119.800 -0.004 0.000 2.079 99 Q HA -0.175 4.166 4.340 0.000 0.000 0.200 99 Q C 2.170 178.175 176.000 0.008 0.000 0.974 99 Q CA 2.213 58.020 55.803 0.007 0.000 0.840 99 Q CB -0.247 28.496 28.738 0.008 0.000 0.898 99 Q HN 0.743 nan 8.270 nan 0.000 0.430 100 E N -0.037 120.164 120.200 0.001 0.000 2.106 100 E HA -0.133 4.217 4.350 0.000 0.000 0.192 100 E C 1.872 178.487 176.600 0.026 0.000 0.984 100 E CA 0.769 57.173 56.400 0.007 0.000 0.806 100 E CB -0.081 29.615 29.700 -0.007 0.000 0.750 100 E HN 0.295 nan 8.360 nan 0.000 0.458 101 L N 0.537 121.768 121.223 0.013 0.000 2.017 101 L HA -0.192 4.148 4.340 0.000 0.000 0.208 101 L C 2.619 179.541 176.870 0.086 0.000 1.073 101 L CA 1.076 55.944 54.840 0.048 0.000 0.745 101 L CB -0.549 41.479 42.059 -0.052 0.000 0.894 101 L HN 0.159 nan 8.230 nan 0.000 0.432 102 A N -0.399 122.449 122.820 0.047 0.000 1.902 102 A HA -0.251 4.070 4.320 0.000 0.000 0.217 102 A C 2.222 179.835 177.584 0.049 0.000 1.181 102 A CA 1.575 53.641 52.037 0.048 0.000 0.623 102 A CB -0.492 18.528 19.000 0.033 0.000 0.818 102 A HN 0.478 nan 8.150 nan 0.000 0.443 103 Q N -0.865 118.960 119.800 0.041 0.000 2.084 103 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 103 Q C 2.146 178.173 176.000 0.045 0.000 0.978 103 Q CA 1.629 57.452 55.803 0.034 0.000 0.844 103 Q CB -0.190 28.563 28.738 0.025 0.000 0.898 103 Q HN 0.865 nan 8.270 nan 0.000 0.426 104 E N 0.625 120.867 120.200 0.069 0.000 2.051 104 E HA -0.217 4.133 4.350 0.000 0.000 0.192 104 E C 1.997 178.641 176.600 0.074 0.000 0.991 104 E CA 1.124 57.576 56.400 0.086 0.000 0.799 104 E CB -0.006 29.788 29.700 0.157 0.000 0.748 104 E HN 0.345 nan 8.360 nan 0.000 0.449 105 M N 0.110 119.761 119.600 0.086 0.000 2.117 105 M HA -0.161 4.319 4.480 0.000 0.000 0.262 105 M C 2.373 178.695 176.300 0.037 0.000 1.065 105 M CA 1.055 56.391 55.300 0.061 0.000 1.114 105 M CB -0.082 32.561 32.600 0.072 0.000 1.361 105 M HN 0.076 nan 8.290 nan 0.000 0.408 106 V N 0.561 120.495 119.914 0.034 0.000 2.343 106 V HA -0.278 3.843 4.120 0.000 0.000 0.247 106 V C 1.648 177.751 176.094 0.014 0.000 1.051 106 V CA 1.943 64.255 62.300 0.020 0.000 1.036 106 V CB -0.739 31.093 31.823 0.015 0.000 0.654 106 V HN 0.402 nan 8.190 nan 0.000 0.451 107 D N -0.435 119.976 120.400 0.017 0.000 2.183 107 D HA -0.112 4.528 4.640 0.000 0.000 0.203 107 D C 2.226 178.529 176.300 0.007 0.000 0.969 107 D CA 0.822 54.829 54.000 0.011 0.000 0.842 107 D CB -0.142 40.666 40.800 0.013 0.000 0.957 107 D HN 0.525 nan 8.370 nan 0.000 0.484 108 E N -0.033 120.172 120.200 0.008 0.000 2.208 108 E HA -0.053 4.298 4.350 0.000 0.000 0.193 108 E C 2.130 178.728 176.600 -0.002 0.000 0.988 108 E CA 0.339 56.738 56.400 -0.002 0.000 0.828 108 E CB 0.165 29.860 29.700 -0.007 0.000 0.763 108 E HN 0.345 nan 8.360 nan 0.000 0.478 109 I N 1.013 121.585 120.570 0.003 0.000 2.333 109 I HA -0.181 3.989 4.170 0.000 0.000 0.246 109 I C 2.250 178.367 176.117 0.000 0.000 1.106 109 I CA 0.818 62.120 61.300 0.003 0.000 1.411 109 I CB 0.063 38.067 38.000 0.007 0.000 1.082 109 I HN -0.018 nan 8.210 nan 0.000 0.420 110 E N 0.261 120.461 120.200 -0.000 0.000 2.102 110 E HA -0.093 4.257 4.350 0.000 0.000 0.190 110 E C 2.072 178.670 176.600 -0.003 0.000 0.971 110 E CA 0.818 57.217 56.400 -0.002 0.000 0.821 110 E CB 0.000 29.699 29.700 -0.003 0.000 0.777 110 E HN 0.473 nan 8.360 nan 0.000 0.460 111 Q N -0.265 119.534 119.800 -0.002 0.000 2.287 111 Q HA 0.278 4.618 4.340 0.000 0.000 0.201 111 Q C 1.076 177.072 176.000 -0.006 0.000 0.946 111 Q CA 0.895 56.696 55.803 -0.004 0.000 0.868 111 Q CB 1.107 29.843 28.738 -0.003 0.000 0.967 111 Q HN 0.190 nan 8.270 nan 0.000 0.516 112 G N 0.975 109.770 108.800 -0.008 0.000 2.350 112 G HA2 0.321 4.281 3.960 0.000 0.000 0.304 112 G HA3 0.321 4.281 3.960 0.000 0.000 0.304 112 G C -1.539 173.350 174.900 -0.018 0.000 1.421 112 G CA -0.531 44.562 45.100 -0.012 0.000 0.934 112 G HN 0.159 nan 8.290 nan 0.000 0.632 113 I N -2.870 117.685 120.570 -0.025 0.000 2.646 113 I HA 0.730 4.901 4.170 0.000 0.000 0.299 113 I C -0.099 175.992 176.117 -0.045 0.000 1.036 113 I CA -0.833 60.444 61.300 -0.038 0.000 1.074 113 I CB 2.228 40.201 38.000 -0.046 0.000 1.258 113 I HN 0.483 nan 8.210 nan 0.000 0.430 114 D N 3.799 124.165 120.400 -0.057 0.000 2.792 114 D HA -0.218 4.423 4.640 0.000 0.000 0.231 114 D C 1.182 177.455 176.300 -0.044 0.000 1.160 114 D CA 1.730 55.693 54.000 -0.061 0.000 0.697 114 D CB -1.313 39.441 40.800 -0.077 0.000 1.070 114 D HN 1.454 nan 8.370 nan 0.000 0.426 115 G N -0.979 107.801 108.800 -0.033 0.000 2.155 115 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 115 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 115 G C 0.545 175.430 174.900 -0.024 0.000 0.983 115 G CA 1.513 46.598 45.100 -0.026 0.000 0.676 115 G HN 1.040 nan 8.290 nan 0.000 0.528 116 T N -3.112 111.426 114.554 -0.026 0.000 2.919 116 T HA 0.665 5.015 4.350 0.000 0.000 0.282 116 T C 1.323 176.012 174.700 -0.018 0.000 1.020 116 T CA 0.370 62.457 62.100 -0.023 0.000 0.994 116 T CB 1.672 70.525 68.868 -0.025 0.000 1.180 116 T HN 0.317 nan 8.240 nan 0.000 0.566 117 E N 0.082 120.273 120.200 -0.015 0.000 2.358 117 E HA -0.001 4.349 4.350 0.000 0.000 0.195 117 E C 0.690 177.285 176.600 -0.009 0.000 1.010 117 E CA -0.107 56.286 56.400 -0.011 0.000 0.856 117 E CB -0.271 29.423 29.700 -0.010 0.000 0.795 117 E HN 0.477 nan 8.360 nan 0.000 0.504 118 L N 2.165 123.382 121.223 -0.011 0.000 2.456 118 L HA 0.167 4.507 4.340 0.000 0.000 0.272 118 L C -0.282 176.583 176.870 -0.009 0.000 1.189 118 L CA 0.332 55.167 54.840 -0.008 0.000 0.846 118 L CB 0.485 42.539 42.059 -0.008 0.000 1.111 118 L HN -0.129 nan 8.230 nan 0.000 0.475 119 K N 3.741 124.138 120.400 -0.004 0.000 2.267 119 K HA 0.749 5.069 4.320 0.000 0.000 0.246 119 K C -0.804 175.794 176.600 -0.003 0.000 0.954 119 K CA -0.888 55.396 56.287 -0.004 0.000 0.824 119 K CB 1.658 34.157 32.500 -0.001 0.000 1.167 119 K HN 0.746 nan 8.250 nan 0.000 0.431 120 A N 0.767 123.584 122.820 -0.005 0.000 2.450 120 A HA 0.328 4.649 4.320 0.000 0.000 0.255 120 A C 0.928 178.517 177.584 0.009 0.000 1.096 120 A CA 0.145 52.180 52.037 -0.003 0.000 0.778 120 A CB 0.014 19.009 19.000 -0.008 0.000 1.031 120 A HN 0.937 nan 8.150 nan 0.000 0.494 121 G N 1.179 109.989 108.800 0.018 0.000 3.126 121 G HA2 0.433 4.393 3.960 0.000 0.000 0.224 121 G HA3 0.433 4.393 3.960 0.000 0.000 0.224 121 G C 0.148 175.079 174.900 0.051 0.000 1.142 121 G CA 0.333 45.453 45.100 0.033 0.000 0.759 121 G HN 0.727 nan 8.290 nan 0.000 0.550 122 I N -0.258 120.342 120.570 0.050 0.000 2.908 122 I HA 0.432 4.602 4.170 0.000 0.000 0.300 122 I C -1.480 174.666 176.117 0.047 0.000 1.385 122 I CA -1.301 60.045 61.300 0.076 0.000 1.004 122 I CB 2.707 40.799 38.000 0.153 0.000 1.309 122 I HN -0.178 nan 8.210 nan 0.000 0.449 123 I N 6.487 127.086 120.570 0.047 0.000 2.291 123 I HA 0.680 4.850 4.170 0.000 0.000 0.292 123 I C 0.141 176.269 176.117 0.018 0.000 1.064 123 I CA 0.303 61.617 61.300 0.023 0.000 1.269 123 I CB 0.882 38.893 38.000 0.018 0.000 1.418 123 I HN 0.648 nan 8.210 nan 0.000 0.485 124 A N 5.367 128.192 122.820 0.009 0.000 2.467 124 A HA 0.447 4.767 4.320 0.000 0.000 0.301 124 A C -1.105 176.484 177.584 0.009 0.000 1.126 124 A CA -0.866 51.180 52.037 0.015 0.000 0.632 124 A CB 0.773 19.782 19.000 0.015 0.000 1.331 124 A HN 0.656 nan 8.150 nan 0.000 0.482 125 E N 0.997 121.211 120.200 0.024 0.000 2.159 125 E HA 0.375 4.725 4.350 0.000 0.000 0.272 125 E C -0.154 176.558 176.600 0.186 0.000 1.138 125 E CA -0.177 56.293 56.400 0.117 0.000 0.915 125 E CB -0.230 29.614 29.700 0.240 0.000 1.028 125 E HN 0.676 nan 8.360 nan 0.000 0.423 126 I N 0.756 121.391 120.570 0.108 0.000 2.312 126 I HA 0.568 4.738 4.170 0.000 0.000 0.291 126 I C 0.142 176.421 176.117 0.269 0.000 1.031 126 I CA -0.644 60.692 61.300 0.060 0.000 1.293 126 I CB 1.074 38.869 38.000 -0.341 0.000 1.403 126 I HN 0.472 nan 8.210 nan 0.000 0.484 127 G N 4.113 113.133 108.800 0.367 0.000 2.537 127 G HA2 0.754 4.714 3.960 0.000 0.000 0.323 127 G HA3 0.754 4.714 3.960 0.000 0.000 0.323 127 G C -0.601 174.516 174.900 0.361 0.000 1.207 127 G CA -0.581 44.754 45.100 0.391 0.000 0.976 127 G HN 0.771 nan 8.290 nan 0.000 0.487 128 T N -2.288 112.409 114.554 0.238 0.000 2.930 128 T HA 0.707 5.058 4.350 0.000 0.000 0.290 128 T C 0.215 174.936 174.700 0.035 0.000 1.052 128 T CA -0.585 61.556 62.100 0.068 0.000 1.017 128 T CB 1.662 70.492 68.868 -0.063 0.000 1.137 128 T HN 0.431 nan 8.240 nan 0.000 0.511 129 S N 0.280 115.972 115.700 -0.015 0.000 2.634 129 S HA 0.255 4.725 4.470 0.000 0.000 0.261 129 S C 0.206 174.821 174.600 0.024 0.000 1.271 129 S CA -0.771 57.423 58.200 -0.010 0.000 0.985 129 S CB 0.371 63.555 63.200 -0.026 0.000 0.968 129 S HN 0.864 nan 8.310 nan 0.000 0.568 130 E N 0.220 120.453 120.200 0.055 0.000 2.292 130 E HA 0.312 4.662 4.350 0.000 0.000 0.265 130 E C 0.955 177.575 176.600 0.034 0.000 1.093 130 E CA 0.456 56.904 56.400 0.082 0.000 0.922 130 E CB -0.483 29.310 29.700 0.154 0.000 1.001 130 E HN 0.881 nan 8.360 nan 0.000 0.444 131 G N 4.339 113.149 108.800 0.017 0.000 2.155 131 G HA2 -0.327 3.633 3.960 0.000 0.000 0.257 131 G HA3 -0.327 3.633 3.960 0.000 0.000 0.257 131 G C -0.205 174.687 174.900 -0.012 0.000 0.983 131 G CA 0.888 45.987 45.100 -0.002 0.000 0.676 131 G HN 0.657 nan 8.290 nan 0.000 0.528 132 K N -1.288 119.102 120.400 -0.015 0.000 2.587 132 K HA 0.697 5.017 4.320 0.000 0.000 0.276 132 K C -1.130 175.449 176.600 -0.036 0.000 0.956 132 K CA -1.323 54.950 56.287 -0.024 0.000 0.857 132 K CB 1.219 33.711 32.500 -0.013 0.000 1.431 132 K HN 0.147 nan 8.250 nan 0.000 0.420 133 I N 2.974 123.516 120.570 -0.047 0.000 2.354 133 I HA 0.171 4.341 4.170 0.000 0.000 0.286 133 I C 0.358 176.464 176.117 -0.018 0.000 1.007 133 I CA -0.721 60.541 61.300 -0.063 0.000 1.167 133 I CB 1.847 39.772 38.000 -0.127 0.000 1.320 133 I HN 0.847 nan 8.210 nan 0.000 0.458 134 T N 2.892 117.455 114.554 0.015 0.000 2.828 134 T HA 0.251 4.601 4.350 0.000 0.000 0.290 134 T C -1.844 172.892 174.700 0.059 0.000 1.019 134 T CA -1.462 60.662 62.100 0.039 0.000 1.031 134 T CB 1.238 70.143 68.868 0.061 0.000 1.001 134 T HN 0.254 nan 8.240 nan 0.000 0.531 135 P HA -0.025 nan 4.420 nan 0.000 0.216 135 P C 1.661 178.998 177.300 0.061 0.000 1.150 135 P CA 0.984 64.111 63.100 0.045 0.000 0.843 135 P CB -0.073 31.646 31.700 0.032 0.000 0.787 136 L N -0.874 120.412 121.223 0.105 0.000 2.093 136 L HA -0.147 4.193 4.340 0.000 0.000 0.208 136 L C 2.316 179.295 176.870 0.182 0.000 1.085 136 L CA 1.461 56.362 54.840 0.102 0.000 0.755 136 L CB -0.785 41.390 42.059 0.194 0.000 0.904 136 L HN 0.026 nan 8.230 nan 0.000 0.435 137 E N -0.019 120.387 120.200 0.344 0.000 2.072 137 E HA -0.262 4.088 4.350 0.000 0.000 0.191 137 E C 2.044 178.818 176.600 0.291 0.000 0.985 137 E CA 1.093 57.741 56.400 0.413 0.000 0.801 137 E CB 0.021 29.889 29.700 0.280 0.000 0.750 137 E HN 0.419 nan 8.360 nan 0.000 0.452 138 E N 1.455 121.733 120.200 0.131 0.000 2.058 138 E HA -0.282 4.069 4.350 0.000 0.000 0.194 138 E C 2.087 178.739 176.600 0.087 0.000 0.997 138 E CA 1.292 57.737 56.400 0.076 0.000 0.801 138 E CB 0.038 29.754 29.700 0.026 0.000 0.746 138 E HN 0.023 nan 8.360 nan 0.000 0.450 139 K N 0.160 120.586 120.400 0.043 0.000 2.057 139 K HA -0.137 4.183 4.320 0.000 0.000 0.207 139 K C 2.088 178.677 176.600 -0.018 0.000 1.049 139 K CA 1.420 57.696 56.287 -0.018 0.000 0.931 139 K CB -0.000 32.459 32.500 -0.067 0.000 0.714 139 K HN 0.069 nan 8.250 nan 0.000 0.440 140 V N 0.875 120.795 119.914 0.010 0.000 2.343 140 V HA -0.215 3.905 4.120 0.000 0.000 0.247 140 V C 2.035 178.173 176.094 0.073 0.000 1.051 140 V CA 1.663 63.971 62.300 0.014 0.000 1.036 140 V CB -0.531 31.323 31.823 0.053 0.000 0.654 140 V HN 0.247 nan 8.190 nan 0.000 0.451 141 F N -0.272 119.687 119.950 0.016 0.000 2.171 141 F HA -0.110 4.418 4.527 0.000 0.000 0.300 141 F C 2.107 177.865 175.800 -0.069 0.000 1.090 141 F CA 1.502 59.505 58.000 0.006 0.000 1.293 141 F CB -0.411 38.597 39.000 0.014 0.000 1.013 141 F HN 0.082 nan 8.300 nan 0.000 0.486 142 I N -0.714 119.857 120.570 0.002 0.000 2.252 142 I HA -0.274 3.896 4.170 0.000 0.000 0.245 142 I C 2.583 178.657 176.117 -0.070 0.000 1.102 142 I CA 1.091 62.270 61.300 -0.202 0.000 1.385 142 I CB -0.723 37.085 38.000 -0.320 0.000 1.064 142 I HN 0.070 nan 8.210 nan 0.000 0.414 143 A N 0.800 123.602 122.820 -0.030 0.000 1.933 143 A HA -0.158 4.162 4.320 0.000 0.000 0.218 143 A C 2.546 180.140 177.584 0.016 0.000 1.175 143 A CA 1.813 53.849 52.037 -0.002 0.000 0.628 143 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 143 A HN 0.422 nan 8.150 nan 0.000 0.444 144 A N -0.057 122.758 122.820 -0.007 0.000 1.902 144 A HA 0.146 4.466 4.320 0.000 0.000 0.217 144 A C 2.523 180.135 177.584 0.047 0.000 1.181 144 A CA 2.145 54.173 52.037 -0.015 0.000 0.623 144 A CB -1.072 17.842 19.000 -0.144 0.000 0.818 144 A HN 1.061 nan 8.150 nan 0.000 0.443 145 A N -0.043 122.811 122.820 0.057 0.000 1.883 145 A HA -0.104 4.216 4.320 0.000 0.000 0.217 145 A C 2.186 179.853 177.584 0.139 0.000 1.186 145 A CA 1.621 53.737 52.037 0.132 0.000 0.624 145 A CB -0.727 18.356 19.000 0.139 0.000 0.822 145 A HN 0.489 nan 8.150 nan 0.000 0.444 146 L N -0.874 120.401 121.223 0.088 0.000 2.042 146 L HA -0.229 4.111 4.340 0.000 0.000 0.210 146 L C 3.093 179.994 176.870 0.051 0.000 1.076 146 L CA 1.237 56.117 54.840 0.068 0.000 0.749 146 L CB -0.671 41.418 42.059 0.050 0.000 0.893 146 L HN 0.457 nan 8.230 nan 0.000 0.432 147 A N -0.518 122.337 122.820 0.057 0.000 1.930 147 A HA -0.274 4.046 4.320 0.000 0.000 0.217 147 A C 2.122 179.734 177.584 0.047 0.000 1.175 147 A CA 1.885 53.950 52.037 0.046 0.000 0.627 147 A CB -0.776 18.255 19.000 0.052 0.000 0.815 147 A HN 0.577 nan 8.150 nan 0.000 0.443 148 H N 0.406 119.479 119.070 0.004 0.000 2.363 148 H HA -0.022 4.534 4.556 0.000 0.000 0.301 148 H C 1.666 176.994 175.328 -0.001 0.000 1.074 148 H CA 1.806 57.851 56.048 -0.004 0.000 1.354 148 H CB -0.171 29.591 29.762 -0.001 0.000 1.397 148 H HN 0.362 nan 8.280 nan 0.000 0.516 149 N N 0.157 118.750 118.700 -0.178 0.000 2.364 149 N HA -0.110 4.630 4.740 0.000 0.000 0.183 149 N C 1.392 176.806 175.510 -0.160 0.000 1.022 149 N CA 0.824 53.756 53.050 -0.197 0.000 0.883 149 N CB 0.028 38.502 38.487 -0.021 0.000 0.965 149 N HN 0.533 nan 8.380 nan 0.000 0.438 150 Q N -0.844 118.889 119.800 -0.111 0.000 2.324 150 Q HA 0.098 4.438 4.340 0.000 0.000 0.207 150 Q C 1.793 177.741 176.000 -0.087 0.000 0.928 150 Q CA 1.178 56.936 55.803 -0.075 0.000 0.890 150 Q CB -0.121 28.597 28.738 -0.033 0.000 1.001 150 Q HN 0.566 nan 8.270 nan 0.000 0.517 151 T N -4.271 110.224 114.554 -0.099 0.000 3.015 151 T HA 0.307 4.657 4.350 0.000 0.000 0.250 151 T C 1.435 176.072 174.700 -0.106 0.000 1.057 151 T CA 0.887 62.941 62.100 -0.077 0.000 1.066 151 T CB 0.599 69.447 68.868 -0.033 0.000 0.959 151 T HN 0.339 nan 8.240 nan 0.000 0.488 152 G N 2.135 110.809 108.800 -0.210 0.000 2.212 152 G HA2 -0.257 3.703 3.960 0.000 0.000 0.266 152 G HA3 -0.257 3.703 3.960 0.000 0.000 0.266 152 G C 0.222 175.119 174.900 -0.006 0.000 0.978 152 G CA -0.111 44.862 45.100 -0.211 0.000 0.632 152 G HN 0.617 nan 8.290 nan 0.000 0.537 153 R N 1.339 121.861 120.500 0.037 0.000 2.537 153 R HA 0.325 4.665 4.340 0.000 0.000 0.280 153 R C -1.849 174.522 176.300 0.119 0.000 1.058 153 R CA -1.954 54.175 56.100 0.048 0.000 1.057 153 R CB -0.135 30.184 30.300 0.032 0.000 0.973 153 R HN 0.342 nan 8.270 nan 0.000 0.438 154 P HA 0.148 nan 4.420 nan 0.000 0.272 154 P C -0.212 177.070 177.300 -0.030 0.000 1.240 154 P CA -0.084 62.911 63.100 -0.177 0.000 0.791 154 P CB 0.754 32.108 31.700 -0.577 0.000 0.978 155 I N 0.556 121.106 120.570 -0.032 0.000 2.404 155 I HA 0.254 4.424 4.170 0.000 0.000 0.293 155 I C 0.504 176.702 176.117 0.135 0.000 0.992 155 I CA -0.404 60.907 61.300 0.019 0.000 1.149 155 I CB 1.732 39.693 38.000 -0.065 0.000 1.315 155 I HN 0.246 nan 8.210 nan 0.000 0.446 156 S N 4.357 120.131 115.700 0.124 0.000 2.552 156 S HA 0.574 5.045 4.470 0.000 0.000 0.314 156 S C -0.264 174.402 174.600 0.110 0.000 1.099 156 S CA -0.534 57.758 58.200 0.153 0.000 1.070 156 S CB 0.986 64.309 63.200 0.205 0.000 0.998 156 S HN 0.744 nan 8.310 nan 0.000 0.474 157 T N 1.597 116.224 114.554 0.122 0.000 2.923 157 T HA 0.541 4.891 4.350 0.000 0.000 0.281 157 T C -0.555 174.236 174.700 0.152 0.000 0.995 157 T CA -0.595 61.608 62.100 0.171 0.000 0.985 157 T CB 1.122 70.152 68.868 0.271 0.000 1.114 157 T HN 0.793 nan 8.240 nan 0.000 0.548 158 H N 0.185 119.329 119.070 0.124 0.000 2.646 158 H HA 0.538 5.095 4.556 0.001 0.000 0.328 158 H C -0.416 174.962 175.328 0.084 0.000 0.998 158 H CA -0.548 55.544 56.048 0.073 0.000 1.225 158 H CB 1.078 31.011 29.762 0.286 0.000 1.457 158 H HN 0.949 nan 8.280 nan 0.000 0.505 159 T N 2.434 116.856 114.554 -0.220 0.000 2.794 159 T HA 0.367 4.717 4.350 0.000 0.000 0.280 159 T C -0.084 174.376 174.700 -0.399 0.000 0.987 159 T CA -1.085 60.919 62.100 -0.161 0.000 0.993 159 T CB 1.409 70.200 68.868 -0.129 0.000 0.939 159 T HN 0.507 nan 8.240 nan 0.000 0.449 160 S N 2.891 118.458 115.700 -0.221 0.000 2.422 160 S HA 0.360 4.831 4.470 0.000 0.000 0.283 160 S C -0.199 174.280 174.600 -0.203 0.000 1.163 160 S CA -0.548 57.490 58.200 -0.271 0.000 1.054 160 S CB -1.014 62.196 63.200 0.016 0.000 0.967 160 S HN 0.694 nan 8.310 nan 0.000 0.499 161 F N 1.642 121.443 119.950 -0.248 0.000 3.067 161 F HA -0.288 4.239 4.527 0.000 0.000 0.279 161 F C 1.022 176.692 175.800 -0.216 0.000 0.945 161 F CA 0.604 58.454 58.000 -0.250 0.000 0.948 161 F CB -2.820 36.057 39.000 -0.204 0.000 0.898 161 F HN 0.699 nan 8.300 nan 0.000 0.746 162 S N -1.755 113.851 115.700 -0.158 0.000 3.587 162 S HA -0.204 4.266 4.470 0.000 0.000 0.337 162 S C 0.573 175.114 174.600 -0.097 0.000 1.119 162 S CA 1.026 59.135 58.200 -0.152 0.000 0.976 162 S CB -1.599 61.478 63.200 -0.204 0.000 0.922 162 S HN 1.110 nan 8.310 nan 0.000 0.503 163 T N -2.011 112.504 114.554 -0.066 0.000 2.918 163 T HA 0.719 5.069 4.350 0.000 0.000 0.286 163 T C 0.716 175.387 174.700 -0.047 0.000 1.026 163 T CA -0.517 61.557 62.100 -0.042 0.000 1.031 163 T CB 1.284 70.146 68.868 -0.010 0.000 1.046 163 T HN 0.258 nan 8.240 nan 0.000 0.479 164 M N -0.559 119.013 119.600 -0.046 0.000 2.939 164 M HA -0.179 4.301 4.480 0.000 0.000 0.194 164 M C 1.404 177.667 176.300 -0.062 0.000 0.617 164 M CA 1.164 56.430 55.300 -0.058 0.000 0.734 164 M CB -2.773 29.784 32.600 -0.072 0.000 2.637 164 M HN 1.017 nan 8.290 nan 0.000 0.316 165 G N 0.582 109.354 108.800 -0.047 0.000 2.446 165 G HA2 -0.125 3.836 3.960 0.000 0.000 0.217 165 G HA3 -0.125 3.836 3.960 0.000 0.000 0.217 165 G C 1.503 176.393 174.900 -0.016 0.000 1.168 165 G CA 1.160 46.243 45.100 -0.028 0.000 0.771 165 G HN 0.514 nan 8.290 nan 0.000 0.551 166 L N -0.041 121.170 121.223 -0.019 0.000 2.083 166 L HA -0.059 4.282 4.340 0.000 0.000 0.209 166 L C 2.916 179.778 176.870 -0.014 0.000 1.083 166 L CA 1.199 56.033 54.840 -0.008 0.000 0.752 166 L CB -0.309 41.745 42.059 -0.009 0.000 0.899 166 L HN 0.184 nan 8.230 nan 0.000 0.433 167 E N -0.198 119.980 120.200 -0.038 0.000 2.106 167 E HA -0.215 4.136 4.350 0.000 0.000 0.192 167 E C 2.248 178.796 176.600 -0.086 0.000 0.984 167 E CA 0.947 57.313 56.400 -0.056 0.000 0.806 167 E CB -0.082 29.572 29.700 -0.076 0.000 0.750 167 E HN 0.461 nan 8.360 nan 0.000 0.458 168 Q N -0.043 119.687 119.800 -0.116 0.000 2.084 168 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 168 Q C 2.238 178.262 176.000 0.040 0.000 0.978 168 Q CA 1.026 56.738 55.803 -0.152 0.000 0.844 168 Q CB -0.132 28.570 28.738 -0.060 0.000 0.898 168 Q HN 0.312 nan 8.270 nan 0.000 0.426 169 L N 0.063 121.319 121.223 0.055 0.000 2.056 169 L HA -0.152 4.189 4.340 0.000 0.000 0.207 169 L C 2.535 179.451 176.870 0.076 0.000 1.078 169 L CA 0.891 55.781 54.840 0.082 0.000 0.749 169 L CB -0.646 41.450 42.059 0.062 0.000 0.901 169 L HN 0.213 nan 8.230 nan 0.000 0.433 170 A N 0.075 122.924 122.820 0.048 0.000 1.902 170 A HA -0.223 4.098 4.320 0.000 0.000 0.217 170 A C 2.213 179.846 177.584 0.082 0.000 1.181 170 A CA 1.616 53.682 52.037 0.050 0.000 0.623 170 A CB -0.636 18.379 19.000 0.026 0.000 0.818 170 A HN 0.314 nan 8.150 nan 0.000 0.443 171 L N -0.250 121.023 121.223 0.084 0.000 2.017 171 L HA -0.086 4.254 4.340 0.000 0.000 0.208 171 L C 2.316 179.339 176.870 0.256 0.000 1.073 171 L CA 1.677 56.608 54.840 0.151 0.000 0.745 171 L CB -0.482 41.612 42.059 0.058 0.000 0.894 171 L HN 0.405 nan 8.230 nan 0.000 0.432 172 L N -0.943 120.412 121.223 0.219 0.000 2.046 172 L HA -0.227 4.113 4.340 0.000 0.000 0.208 172 L C 2.655 179.642 176.870 0.196 0.000 1.077 172 L CA 1.687 56.663 54.840 0.228 0.000 0.747 172 L CB -0.597 41.586 42.059 0.207 0.000 0.896 172 L HN 0.464 nan 8.230 nan 0.000 0.432 173 Q N 0.187 120.074 119.800 0.144 0.000 2.119 173 Q HA -0.194 4.146 4.340 0.000 0.000 0.201 173 Q C 2.243 178.295 176.000 0.088 0.000 0.972 173 Q CA 1.554 57.420 55.803 0.105 0.000 0.847 173 Q CB -0.061 28.722 28.738 0.075 0.000 0.903 173 Q HN 0.492 nan 8.270 nan 0.000 0.433 174 A N -0.195 122.679 122.820 0.091 0.000 2.070 174 A HA -0.163 4.157 4.320 0.000 0.000 0.220 174 A C 0.787 178.290 177.584 -0.136 0.000 1.159 174 A CA 1.426 53.458 52.037 -0.008 0.000 0.656 174 A CB -0.526 18.473 19.000 -0.002 0.000 0.800 174 A HN 0.520 nan 8.150 nan 0.000 0.453 175 H N -1.533 117.577 119.070 0.068 0.000 2.537 175 H HA 0.396 4.952 4.556 0.000 0.000 0.295 175 H C 1.386 176.761 175.328 0.078 0.000 1.054 175 H CA 0.387 56.478 56.048 0.072 0.000 1.156 175 H CB 0.006 29.819 29.762 0.085 0.000 1.468 175 H HN 0.527 nan 8.280 nan 0.000 0.551 176 G N 0.098 108.965 108.800 0.111 0.000 2.159 176 G HA2 -0.290 3.670 3.960 0.000 0.000 0.256 176 G HA3 -0.290 3.670 3.960 0.000 0.000 0.256 176 G C 0.072 175.058 174.900 0.142 0.000 0.977 176 G CA 0.305 45.466 45.100 0.103 0.000 0.652 176 G HN 0.269 nan 8.290 nan 0.000 0.531 177 V N 1.466 121.481 119.914 0.168 0.000 2.530 177 V HA 0.358 4.478 4.120 0.000 0.000 0.282 177 V C 0.578 176.744 176.094 0.120 0.000 1.048 177 V CA -0.550 61.858 62.300 0.181 0.000 0.997 177 V CB 1.717 33.604 31.823 0.108 0.000 0.987 177 V HN 0.365 nan 8.190 nan 0.000 0.477 178 D N 4.210 124.694 120.400 0.141 0.000 2.346 178 D HA 0.099 4.739 4.640 0.000 0.000 0.260 178 D C 1.095 177.435 176.300 0.065 0.000 1.252 178 D CA 0.041 54.100 54.000 0.099 0.000 0.895 178 D CB 1.104 41.972 40.800 0.114 0.000 1.097 178 D HN 0.483 nan 8.370 nan 0.000 0.489 179 L N 3.074 124.340 121.223 0.072 0.000 2.349 179 L HA -0.199 4.141 4.340 0.000 0.000 0.220 179 L C 2.289 179.242 176.870 0.138 0.000 1.130 179 L CA 0.980 55.872 54.840 0.086 0.000 0.791 179 L CB -0.539 41.568 42.059 0.080 0.000 0.918 179 L HN 0.401 nan 8.230 nan 0.000 0.444 180 S N -0.773 115.012 115.700 0.142 0.000 2.555 180 S HA -0.040 4.430 4.470 0.000 0.000 0.230 180 S C 1.680 176.444 174.600 0.273 0.000 0.978 180 S CA 0.208 58.554 58.200 0.245 0.000 0.934 180 S CB -0.067 63.240 63.200 0.177 0.000 0.766 180 S HN 0.359 nan 8.310 nan 0.000 0.533 181 R N 0.882 121.437 120.500 0.090 0.000 2.427 181 R HA 0.427 4.767 4.340 0.000 0.000 0.262 181 R C -0.572 175.707 176.300 -0.036 0.000 0.943 181 R CA -0.015 56.002 56.100 -0.137 0.000 1.081 181 R CB 0.103 30.287 30.300 -0.192 0.000 1.166 181 R HN 0.347 nan 8.270 nan 0.000 0.534 182 V N 0.413 120.470 119.914 0.238 0.000 2.604 182 V HA 0.377 4.497 4.120 0.000 0.000 0.305 182 V C -0.066 176.212 176.094 0.307 0.000 1.043 182 V CA -0.718 61.731 62.300 0.250 0.000 0.888 182 V CB 2.368 34.269 31.823 0.131 0.000 0.995 182 V HN -0.027 nan 8.190 nan 0.000 0.429 183 T N 3.799 118.454 114.554 0.169 0.000 2.840 183 T HA 0.544 4.895 4.350 0.000 0.000 0.287 183 T C -0.863 173.847 174.700 0.018 0.000 0.991 183 T CA -0.315 61.741 62.100 -0.074 0.000 0.964 183 T CB 1.183 69.713 68.868 -0.564 0.000 0.954 183 T HN 0.377 nan 8.240 nan 0.000 0.438 184 V N 5.480 125.406 119.914 0.020 0.000 2.408 184 V HA 0.545 4.665 4.120 0.000 0.000 0.267 184 V C 1.325 177.373 176.094 -0.077 0.000 1.047 184 V CA -0.489 61.813 62.300 0.004 0.000 0.937 184 V CB 0.851 32.679 31.823 0.010 0.000 0.999 184 V HN 1.007 nan 8.190 nan 0.000 0.472 185 G N 3.070 111.777 108.800 -0.156 0.000 2.476 185 G HA2 0.430 4.391 3.960 0.000 0.000 0.269 185 G HA3 0.430 4.391 3.960 0.000 0.000 0.269 185 G C 0.081 174.639 174.900 -0.572 0.000 1.195 185 G CA -0.258 44.584 45.100 -0.430 0.000 0.843 185 G HN 0.961 nan 8.290 nan 0.000 0.545 186 H N -0.893 118.014 119.070 -0.272 0.000 2.756 186 H HA -0.148 4.408 4.556 0.000 0.000 0.315 186 H C 1.175 176.301 175.328 -0.336 0.000 1.210 186 H CA 0.146 55.988 56.048 -0.343 0.000 1.150 186 H CB -2.094 27.395 29.762 -0.455 0.000 1.463 186 H HN 0.474 nan 8.280 nan 0.000 0.427 187 C N 0.394 119.531 119.300 -0.271 0.000 2.626 187 C HA -0.009 4.451 4.460 0.000 0.000 0.266 187 C C 1.495 176.163 174.990 -0.536 0.000 1.317 187 C CA 0.534 59.346 59.018 -0.344 0.000 1.716 187 C CB -0.360 27.198 27.740 -0.305 0.000 1.819 187 C HN 0.690 nan 8.230 nan 0.000 0.578 188 D N 0.292 120.356 120.400 -0.560 0.000 3.035 188 D HA 0.122 4.762 4.640 0.000 0.000 0.290 188 D C 0.482 176.511 176.300 -0.451 0.000 1.360 188 D CA -0.076 53.571 54.000 -0.588 0.000 0.862 188 D CB -0.496 39.960 40.800 -0.574 0.000 1.078 188 D HN 0.349 nan 8.370 nan 0.000 0.487 189 L N -0.001 120.901 121.223 -0.535 0.000 2.808 189 L HA 0.271 4.611 4.340 0.000 0.000 0.246 189 L C 0.422 176.863 176.870 -0.715 0.000 1.153 189 L CA -0.076 54.497 54.840 -0.446 0.000 0.956 189 L CB 0.026 41.947 42.059 -0.228 0.000 1.270 189 L HN 0.125 nan 8.230 nan 0.000 0.528 190 K N -2.789 116.889 120.400 -1.203 0.000 2.711 190 K HA 0.245 4.565 4.320 0.000 0.000 0.294 190 K C -1.669 174.553 176.600 -0.631 0.000 1.037 190 K CA -0.991 54.781 56.287 -0.859 0.000 0.858 190 K CB 0.787 33.117 32.500 -0.282 0.000 1.521 190 K HN -0.351 nan 8.250 nan 0.000 0.386 191 D N 1.643 121.994 120.400 -0.082 0.000 2.349 191 D HA 0.056 4.696 4.640 0.000 0.000 0.266 191 D C -0.459 175.818 176.300 -0.038 0.000 1.293 191 D CA 0.489 54.532 54.000 0.071 0.000 0.926 191 D CB 0.138 41.014 40.800 0.128 0.000 1.090 191 D HN 0.598 nan 8.370 nan 0.000 0.502 192 N N 2.660 121.324 118.700 -0.060 0.000 2.377 192 N HA -0.009 4.731 4.740 0.000 0.000 0.259 192 N C 1.149 176.648 175.510 -0.019 0.000 1.332 192 N CA -0.247 52.757 53.050 -0.077 0.000 0.877 192 N CB 0.373 38.754 38.487 -0.177 0.000 1.299 192 N HN 0.100 nan 8.380 nan 0.000 0.501 193 L N 1.242 122.487 121.223 0.036 0.000 2.012 193 L HA -0.148 4.192 4.340 0.000 0.000 0.210 193 L C 1.620 178.517 176.870 0.045 0.000 1.073 193 L CA 1.975 56.856 54.840 0.068 0.000 0.748 193 L CB -0.400 41.714 42.059 0.092 0.000 0.891 193 L HN 0.203 nan 8.230 nan 0.000 0.431 194 D N -0.496 119.921 120.400 0.029 0.000 2.106 194 D HA -0.224 4.417 4.640 0.000 0.000 0.191 194 D C 1.919 178.226 176.300 0.012 0.000 0.997 194 D CA 1.897 55.909 54.000 0.020 0.000 0.834 194 D CB -0.387 40.421 40.800 0.013 0.000 0.956 194 D HN 0.542 nan 8.370 nan 0.000 0.448 195 N N 0.264 118.964 118.700 -0.000 0.000 2.120 195 N HA -0.087 4.653 4.740 0.000 0.000 0.188 195 N C 2.141 177.651 175.510 -0.000 0.000 1.024 195 N CA 0.439 53.484 53.050 -0.008 0.000 0.852 195 N CB 0.002 38.472 38.487 -0.027 0.000 1.003 195 N HN 0.132 nan 8.380 nan 0.000 0.424 196 I N 1.184 121.759 120.570 0.007 0.000 2.208 196 I HA -0.272 3.898 4.170 0.000 0.000 0.245 196 I C 1.997 178.138 176.117 0.041 0.000 1.097 196 I CA 1.064 62.383 61.300 0.032 0.000 1.363 196 I CB -0.224 37.820 38.000 0.074 0.000 1.051 196 I HN 0.175 nan 8.210 nan 0.000 0.413 197 L N 0.328 121.575 121.223 0.040 0.000 2.083 197 L HA -0.219 4.121 4.340 0.000 0.000 0.209 197 L C 2.533 179.413 176.870 0.017 0.000 1.083 197 L CA 1.484 56.343 54.840 0.031 0.000 0.752 197 L CB -0.537 41.541 42.059 0.032 0.000 0.899 197 L HN 0.191 nan 8.230 nan 0.000 0.433 198 K N -0.324 120.084 120.400 0.014 0.000 2.057 198 K HA -0.119 4.201 4.320 0.000 0.000 0.206 198 K C 2.164 178.770 176.600 0.009 0.000 1.050 198 K CA 1.297 57.589 56.287 0.009 0.000 0.935 198 K CB -0.132 32.373 32.500 0.007 0.000 0.715 198 K HN 0.238 nan 8.250 nan 0.000 0.439 199 M N 0.507 120.114 119.600 0.011 0.000 2.117 199 M HA -0.162 4.319 4.480 0.000 0.000 0.262 199 M C 2.194 178.498 176.300 0.008 0.000 1.065 199 M CA 1.618 56.926 55.300 0.014 0.000 1.114 199 M CB -0.372 32.237 32.600 0.016 0.000 1.361 199 M HN 0.119 nan 8.290 nan 0.000 0.408 200 I N 0.071 120.641 120.570 -0.000 0.000 2.286 200 I HA -0.280 3.890 4.170 0.000 0.000 0.248 200 I C 1.940 178.040 176.117 -0.028 0.000 1.115 200 I CA 1.305 62.588 61.300 -0.028 0.000 1.392 200 I CB -0.481 37.503 38.000 -0.027 0.000 1.065 200 I HN 0.296 nan 8.210 nan 0.000 0.418 201 D N 1.021 121.415 120.400 -0.010 0.000 2.178 201 D HA -0.146 4.494 4.640 0.000 0.000 0.201 201 D C 2.112 178.410 176.300 -0.003 0.000 0.980 201 D CA 1.059 55.054 54.000 -0.007 0.000 0.842 201 D CB 0.012 40.812 40.800 -0.000 0.000 0.948 201 D HN 0.253 nan 8.370 nan 0.000 0.472 202 L N -1.279 119.947 121.223 0.004 0.000 2.478 202 L HA 0.192 4.532 4.340 0.000 0.000 0.223 202 L C 1.718 178.598 176.870 0.017 0.000 1.140 202 L CA 0.669 55.518 54.840 0.014 0.000 0.842 202 L CB -0.075 41.998 42.059 0.023 0.000 0.953 202 L HN 0.343 nan 8.230 nan 0.000 0.452 203 G N -0.556 108.245 108.800 0.001 0.000 2.179 203 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 203 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 203 G C 0.300 175.209 174.900 0.015 0.000 0.990 203 G CA -0.096 45.002 45.100 -0.003 0.000 0.646 203 G HN 0.463 nan 8.290 nan 0.000 0.517 204 A N -0.590 122.249 122.820 0.031 0.000 2.271 204 A HA 0.795 5.115 4.320 0.000 0.000 0.288 204 A C -0.206 177.400 177.584 0.037 0.000 1.094 204 A CA -0.372 51.724 52.037 0.099 0.000 0.828 204 A CB 0.590 19.648 19.000 0.097 0.000 1.091 204 A HN 0.596 nan 8.150 nan 0.000 0.493 205 Y N -0.710 119.577 120.300 -0.023 0.000 2.376 205 Y HA 0.452 5.002 4.550 0.001 0.000 0.325 205 Y C 0.622 176.470 175.900 -0.086 0.000 1.199 205 Y CA -0.188 57.849 58.100 -0.105 0.000 1.206 205 Y CB 1.737 39.994 38.460 -0.338 0.000 1.229 205 Y HN 0.606 nan 8.280 nan 0.000 0.480 206 V N -0.064 119.917 119.914 0.112 0.000 2.864 206 V HA 0.675 4.795 4.120 0.000 0.000 0.314 206 V C -1.052 175.133 176.094 0.151 0.000 1.073 206 V CA -1.078 61.283 62.300 0.102 0.000 0.956 206 V CB 1.938 33.837 31.823 0.127 0.000 1.023 206 V HN 0.757 nan 8.190 nan 0.000 0.435 207 Q N 2.042 121.907 119.800 0.108 0.000 2.340 207 Q HA 0.594 4.934 4.340 0.000 0.000 0.268 207 Q C -1.853 174.242 176.000 0.158 0.000 1.031 207 Q CA -0.441 55.452 55.803 0.151 0.000 0.804 207 Q CB 2.793 31.558 28.738 0.045 0.000 1.286 207 Q HN 0.777 nan 8.270 nan 0.000 0.448 208 F N 2.599 122.540 119.950 -0.016 0.000 2.318 208 F HA 0.175 4.702 4.527 -0.000 0.000 0.356 208 F C 0.077 175.838 175.800 -0.064 0.000 1.109 208 F CA -1.054 56.927 58.000 -0.032 0.000 1.234 208 F CB 0.470 39.465 39.000 -0.008 0.000 1.545 208 F HN 0.518 nan 8.300 nan 0.000 0.534 209 D N -2.115 118.311 120.400 0.043 0.000 2.440 209 D HA 0.029 4.669 4.640 0.000 0.000 0.216 209 D C 1.047 177.332 176.300 -0.025 0.000 1.150 209 D CA 0.123 54.132 54.000 0.016 0.000 0.832 209 D CB -0.429 40.366 40.800 -0.009 0.000 0.992 209 D HN 0.317 nan 8.370 nan 0.000 0.502 210 T N -1.760 112.759 114.554 -0.059 0.000 3.248 210 T HA 0.337 4.687 4.350 0.000 0.000 0.271 210 T C 0.607 175.241 174.700 -0.109 0.000 1.005 210 T CA -0.585 61.465 62.100 -0.082 0.000 0.902 210 T CB -0.723 68.087 68.868 -0.097 0.000 1.102 210 T HN 0.049 nan 8.240 nan 0.000 0.548 211 I N 2.197 122.662 120.570 -0.175 0.000 2.741 211 I HA 0.298 4.468 4.170 0.000 0.000 0.288 211 I C 1.599 177.542 176.117 -0.290 0.000 1.192 211 I CA 1.557 62.666 61.300 -0.319 0.000 1.426 211 I CB 0.156 37.822 38.000 -0.557 0.000 1.367 211 I HN 0.640 nan 8.210 nan 0.000 0.563 212 G N 4.863 113.478 108.800 -0.309 0.000 2.234 212 G HA2 -0.261 3.699 3.960 0.000 0.000 0.235 212 G HA3 -0.261 3.699 3.960 0.000 0.000 0.235 212 G C 0.488 175.020 174.900 -0.613 0.000 0.997 212 G CA -0.413 44.275 45.100 -0.687 0.000 0.623 212 G HN 0.595 nan 8.290 nan 0.000 0.514 213 K N 1.174 121.389 120.400 -0.309 0.000 2.751 213 K HA 0.267 4.587 4.320 0.000 0.000 0.252 213 K C 0.929 177.482 176.600 -0.078 0.000 1.277 213 K CA -0.015 56.169 56.287 -0.173 0.000 1.226 213 K CB -0.371 32.157 32.500 0.047 0.000 1.658 213 K HN 0.480 nan 8.250 nan 0.000 0.303 214 N N 0.014 118.627 118.700 -0.145 0.000 2.520 214 N HA -0.097 4.643 4.740 0.000 0.000 0.185 214 N C 0.975 176.451 175.510 -0.056 0.000 1.068 214 N CA 0.471 53.476 53.050 -0.074 0.000 0.911 214 N CB 0.224 38.657 38.487 -0.090 0.000 0.961 214 N HN 0.132 nan 8.380 nan 0.000 0.446 215 S N -0.477 115.146 115.700 -0.127 0.000 2.527 215 S HA 0.041 4.511 4.470 0.000 0.000 0.222 215 S C 0.689 175.269 174.600 -0.033 0.000 0.985 215 S CA 0.398 58.522 58.200 -0.128 0.000 0.921 215 S CB 0.008 63.074 63.200 -0.223 0.000 0.772 215 S HN 0.383 nan 8.310 nan 0.000 0.529 216 Y N -0.698 119.644 120.300 0.070 0.000 2.353 216 Y HA 0.414 4.964 4.550 0.000 0.000 0.294 216 Y C 0.319 176.339 175.900 0.201 0.000 1.135 216 Y CA -0.471 57.707 58.100 0.130 0.000 1.176 216 Y CB 0.149 38.697 38.460 0.147 0.000 1.124 216 Y HN 0.216 nan 8.280 nan 0.000 0.537 217 Y N 0.801 121.202 120.300 0.168 0.000 2.480 217 Y HA 0.422 4.972 4.550 -0.000 0.000 0.329 217 Y C -3.037 172.896 175.900 0.056 0.000 1.127 217 Y CA -3.269 54.885 58.100 0.089 0.000 1.037 217 Y CB 1.906 40.410 38.460 0.073 0.000 1.320 217 Y HN -0.229 nan 8.280 nan 0.000 0.446 218 P HA 0.133 nan 4.420 nan 0.000 0.280 218 P C -0.234 176.974 177.300 -0.152 0.000 1.244 218 P CA 0.191 63.164 63.100 -0.213 0.000 0.784 218 P CB 1.469 33.041 31.700 -0.213 0.000 0.913 219 D N 1.610 122.026 120.400 0.027 0.000 2.182 219 D HA -0.196 4.444 4.640 0.000 0.000 0.201 219 D C 1.620 178.033 176.300 0.188 0.000 0.986 219 D CA 1.365 55.498 54.000 0.221 0.000 0.847 219 D CB -0.154 40.859 40.800 0.355 0.000 0.942 219 D HN 0.610 nan 8.370 nan 0.000 0.467 220 E N 0.703 120.925 120.200 0.037 0.000 2.118 220 E HA -0.195 4.156 4.350 0.000 0.000 0.195 220 E C 1.611 178.210 176.600 -0.002 0.000 0.992 220 E CA 0.995 57.392 56.400 -0.004 0.000 0.804 220 E CB 0.176 29.849 29.700 -0.044 0.000 0.741 220 E HN 0.187 nan 8.360 nan 0.000 0.458 221 K N -0.160 120.188 120.400 -0.087 0.000 2.228 221 K HA -0.011 4.309 4.320 0.000 0.000 0.202 221 K C 2.300 179.010 176.600 0.184 0.000 1.051 221 K CA 0.504 56.747 56.287 -0.074 0.000 0.960 221 K CB 0.061 32.295 32.500 -0.444 0.000 0.743 221 K HN 0.060 nan 8.250 nan 0.000 0.458 222 R N 0.757 121.421 120.500 0.273 0.000 2.075 222 R HA -0.030 4.310 4.340 0.000 0.000 0.232 222 R C 2.286 178.864 176.300 0.463 0.000 1.126 222 R CA 1.140 57.559 56.100 0.533 0.000 0.963 222 R CB -0.336 30.282 30.300 0.530 0.000 0.858 222 R HN 0.147 nan 8.270 nan 0.000 0.435 223 I N 0.723 121.479 120.570 0.309 0.000 2.226 223 I HA -0.279 3.891 4.170 0.000 0.000 0.245 223 I C 2.593 178.850 176.117 0.233 0.000 1.100 223 I CA 1.261 62.642 61.300 0.135 0.000 1.374 223 I CB -0.358 37.616 38.000 -0.044 0.000 1.057 223 I HN 0.207 nan 8.210 nan 0.000 0.413 224 A N 0.427 123.366 122.820 0.198 0.000 1.902 224 A HA -0.218 4.102 4.320 0.000 0.000 0.217 224 A C 2.367 180.108 177.584 0.262 0.000 1.181 224 A CA 1.561 53.710 52.037 0.187 0.000 0.623 224 A CB -0.505 18.562 19.000 0.112 0.000 0.818 224 A HN 0.335 nan 8.150 nan 0.000 0.443 225 M N -0.776 119.014 119.600 0.317 0.000 2.175 225 M HA -0.054 4.426 4.480 0.000 0.000 0.264 225 M C 2.103 178.568 176.300 0.274 0.000 1.063 225 M CA 1.163 56.684 55.300 0.370 0.000 1.119 225 M CB -0.500 32.448 32.600 0.580 0.000 1.377 225 M HN 0.383 nan 8.290 nan 0.000 0.415 226 L N -1.022 120.284 121.223 0.138 0.000 2.083 226 L HA -0.255 4.085 4.340 0.000 0.000 0.209 226 L C 2.586 179.587 176.870 0.218 0.000 1.083 226 L CA 1.113 55.923 54.840 -0.050 0.000 0.752 226 L CB -0.964 40.936 42.059 -0.265 0.000 0.899 226 L HN 0.395 nan 8.230 nan 0.000 0.433 227 H N -0.450 118.779 119.070 0.264 0.000 2.387 227 H HA -0.104 4.453 4.556 0.001 0.000 0.299 227 H C 2.262 177.673 175.328 0.138 0.000 1.090 227 H CA 1.406 57.626 56.048 0.287 0.000 1.332 227 H CB 0.169 30.059 29.762 0.213 0.000 1.386 227 H HN 0.375 nan 8.280 nan 0.000 0.516 228 A N 1.094 124.054 122.820 0.233 0.000 1.933 228 A HA -0.115 4.205 4.320 0.000 0.000 0.218 228 A C 2.662 180.304 177.584 0.097 0.000 1.175 228 A CA 0.981 53.107 52.037 0.148 0.000 0.628 228 A CB -0.737 18.353 19.000 0.150 0.000 0.814 228 A HN 0.260 nan 8.150 nan 0.000 0.444 229 L N -1.309 119.970 121.223 0.093 0.000 2.072 229 L HA -0.118 4.223 4.340 0.000 0.000 0.205 229 L C 2.778 179.640 176.870 -0.013 0.000 1.079 229 L CA 1.586 56.452 54.840 0.043 0.000 0.752 229 L CB -0.520 41.558 42.059 0.031 0.000 0.906 229 L HN 0.459 nan 8.230 nan 0.000 0.436 230 R N 0.468 120.940 120.500 -0.047 0.000 2.081 230 R HA -0.181 4.160 4.340 0.000 0.000 0.235 230 R C 1.749 177.969 176.300 -0.133 0.000 1.131 230 R CA 1.851 57.832 56.100 -0.198 0.000 0.960 230 R CB -0.150 29.830 30.300 -0.534 0.000 0.856 230 R HN 0.313 nan 8.270 nan 0.000 0.436 231 D N 0.167 120.536 120.400 -0.052 0.000 2.218 231 D HA -0.128 4.512 4.640 0.000 0.000 0.204 231 D C 1.270 177.559 176.300 -0.019 0.000 0.976 231 D CA 1.122 55.109 54.000 -0.020 0.000 0.853 231 D CB -0.011 40.807 40.800 0.031 0.000 0.939 231 D HN 0.307 nan 8.370 nan 0.000 0.481 232 R N -0.569 119.922 120.500 -0.015 0.000 2.393 232 R HA 0.262 4.602 4.340 0.000 0.000 0.244 232 R C 1.031 177.315 176.300 -0.027 0.000 0.920 232 R CA 0.326 56.419 56.100 -0.012 0.000 1.076 232 R CB 0.625 30.928 30.300 0.005 0.000 1.119 232 R HN 0.029 nan 8.270 nan 0.000 0.524 233 G N 1.463 110.235 108.800 -0.047 0.000 2.249 233 G HA2 -0.258 3.703 3.960 0.000 0.000 0.273 233 G HA3 -0.258 3.703 3.960 0.000 0.000 0.273 233 G C 0.376 175.247 174.900 -0.049 0.000 1.036 233 G CA 0.078 45.145 45.100 -0.054 0.000 0.824 233 G HN 0.334 nan 8.290 nan 0.000 0.504 234 L N -0.619 120.577 121.223 -0.045 0.000 2.667 234 L HA 0.338 4.678 4.340 0.000 0.000 0.232 234 L C 2.483 179.325 176.870 -0.045 0.000 1.138 234 L CA -0.332 54.483 54.840 -0.042 0.000 0.921 234 L CB -0.016 42.030 42.059 -0.022 0.000 1.180 234 L HN 0.261 nan 8.230 nan 0.000 0.487 235 L N 1.251 122.444 121.223 -0.049 0.000 2.265 235 L HA -0.184 4.156 4.340 0.000 0.000 0.215 235 L C 2.059 178.924 176.870 -0.008 0.000 1.117 235 L CA 0.912 55.734 54.840 -0.029 0.000 0.782 235 L CB -0.545 41.489 42.059 -0.042 0.000 0.914 235 L HN 0.594 nan 8.230 nan 0.000 0.441 236 N N -0.207 118.478 118.700 -0.025 0.000 2.571 236 N HA -0.152 4.588 4.740 0.000 0.000 0.189 236 N C 1.319 176.782 175.510 -0.079 0.000 1.154 236 N CA 0.581 53.627 53.050 -0.007 0.000 0.907 236 N CB -0.048 38.432 38.487 -0.012 0.000 0.977 236 N HN 0.209 nan 8.380 nan 0.000 0.449 237 R N -0.069 120.349 120.500 -0.136 0.000 2.535 237 R HA 0.319 4.659 4.340 0.000 0.000 0.323 237 R C -0.606 175.674 176.300 -0.032 0.000 0.979 237 R CA -0.186 55.720 56.100 -0.324 0.000 1.120 237 R CB 0.681 30.770 30.300 -0.352 0.000 1.306 237 R HN 0.071 nan 8.270 nan 0.000 0.540 238 V N 2.124 122.072 119.914 0.058 0.000 2.459 238 V HA 0.497 4.617 4.120 0.000 0.000 0.295 238 V C 0.232 176.399 176.094 0.120 0.000 1.029 238 V CA -0.354 62.002 62.300 0.092 0.000 0.874 238 V CB 2.092 33.910 31.823 -0.009 0.000 0.985 238 V HN 0.012 nan 8.190 nan 0.000 0.438 239 M N 5.106 124.789 119.600 0.138 0.000 2.662 239 M HA 0.697 5.177 4.480 0.000 0.000 0.310 239 M C -1.271 175.112 176.300 0.139 0.000 1.204 239 M CA -0.604 54.774 55.300 0.130 0.000 0.891 239 M CB 2.544 35.213 32.600 0.116 0.000 1.732 239 M HN 0.379 nan 8.290 nan 0.000 0.467 240 L N -0.252 121.043 121.223 0.120 0.000 2.333 240 L HA 0.855 5.195 4.340 0.000 0.000 0.263 240 L C -0.368 176.558 176.870 0.094 0.000 1.014 240 L CA -0.505 54.395 54.840 0.099 0.000 0.820 240 L CB 2.258 44.350 42.059 0.054 0.000 1.352 240 L HN 0.733 nan 8.230 nan 0.000 0.421 241 S N -0.309 115.433 115.700 0.069 0.000 2.656 241 S HA 0.487 4.957 4.470 0.000 0.000 0.265 241 S C -0.263 174.364 174.600 0.045 0.000 1.132 241 S CA -0.523 57.729 58.200 0.088 0.000 0.819 241 S CB 1.678 64.969 63.200 0.151 0.000 1.119 241 S HN 0.573 nan 8.310 nan 0.000 0.476 242 M N 1.086 120.738 119.600 0.086 0.000 2.491 242 M HA 0.291 4.772 4.480 0.000 0.000 0.259 242 M C 0.174 176.499 176.300 0.042 0.000 1.163 242 M CA 0.631 55.957 55.300 0.044 0.000 1.109 242 M CB -1.149 31.498 32.600 0.078 0.000 1.353 242 M HN 0.846 nan 8.290 nan 0.000 0.500 243 D N 2.159 122.643 120.400 0.141 0.000 2.697 243 D HA -0.157 4.483 4.640 0.000 0.000 0.238 243 D C -0.619 175.792 176.300 0.185 0.000 1.152 243 D CA 0.149 54.297 54.000 0.245 0.000 0.666 243 D CB -0.691 40.188 40.800 0.132 0.000 1.037 243 D HN 0.106 nan 8.370 nan 0.000 0.423 244 I N 0.955 121.585 120.570 0.100 0.000 2.683 244 I HA 0.051 4.221 4.170 0.000 0.000 0.286 244 I C 2.084 178.343 176.117 0.237 0.000 1.175 244 I CA 1.375 62.669 61.300 -0.011 0.000 1.429 244 I CB 0.443 38.138 38.000 -0.508 0.000 1.371 244 I HN 0.433 nan 8.210 nan 0.000 0.569 245 T N 3.619 118.360 114.554 0.313 0.000 3.046 245 T HA 0.303 4.653 4.350 0.000 0.000 0.270 245 T C 0.680 175.355 174.700 -0.042 0.000 0.920 245 T CA -0.378 61.782 62.100 0.099 0.000 0.874 245 T CB 0.562 69.451 68.868 0.034 0.000 1.214 245 T HN 0.511 nan 8.240 nan 0.000 0.536 246 R N 0.396 120.794 120.500 -0.170 0.000 2.803 246 R HA 0.640 4.980 4.340 0.000 0.000 0.276 246 R C 0.718 176.847 176.300 -0.285 0.000 0.978 246 R CA -0.974 54.898 56.100 -0.380 0.000 0.939 246 R CB 1.691 31.556 30.300 -0.726 0.000 1.179 246 R HN -0.055 nan 8.270 nan 0.000 0.472 247 R N 0.202 120.599 120.500 -0.172 0.000 2.096 247 R HA -0.130 4.210 4.340 0.000 0.000 0.235 247 R C 1.831 178.064 176.300 -0.113 0.000 1.127 247 R CA 1.980 58.038 56.100 -0.071 0.000 0.968 247 R CB -0.163 30.129 30.300 -0.014 0.000 0.861 247 R HN 0.655 nan 8.270 nan 0.000 0.440 248 S N -0.361 115.223 115.700 -0.194 0.000 2.507 248 S HA -0.120 4.350 4.470 0.000 0.000 0.235 248 S C 1.319 175.818 174.600 -0.168 0.000 0.988 248 S CA 0.866 58.968 58.200 -0.164 0.000 0.944 248 S CB -0.430 62.683 63.200 -0.145 0.000 0.762 248 S HN 0.517 nan 8.310 nan 0.000 0.526 249 H N 0.404 119.313 119.070 -0.270 0.000 2.512 249 H HA 0.335 4.891 4.556 0.001 0.000 0.279 249 H C 0.323 175.294 175.328 -0.595 0.000 0.999 249 H CA -0.211 55.484 56.048 -0.587 0.000 1.283 249 H CB 0.061 29.469 29.762 -0.590 0.000 1.421 249 H HN 0.317 nan 8.280 nan 0.000 0.554 250 L N 1.593 122.689 121.223 -0.212 0.000 2.426 250 L HA 0.004 4.344 4.340 0.000 0.000 0.271 250 L C 1.293 178.052 176.870 -0.185 0.000 1.169 250 L CA -0.039 54.703 54.840 -0.162 0.000 0.836 250 L CB 0.965 42.997 42.059 -0.045 0.000 1.112 250 L HN 0.213 nan 8.230 nan 0.000 0.465 251 K N 2.261 122.569 120.400 -0.154 0.000 2.063 251 K HA -0.173 4.147 4.320 0.000 0.000 0.208 251 K C 1.917 178.394 176.600 -0.205 0.000 1.048 251 K CA 1.523 57.732 56.287 -0.130 0.000 0.928 251 K CB -0.150 32.312 32.500 -0.064 0.000 0.713 251 K HN 0.817 nan 8.250 nan 0.000 0.442 252 A N 1.840 124.432 122.820 -0.380 0.000 2.076 252 A HA -0.133 4.187 4.320 0.000 0.000 0.220 252 A C 1.296 178.635 177.584 -0.408 0.000 1.160 252 A CA 1.348 53.027 52.037 -0.596 0.000 0.653 252 A CB -0.188 17.876 19.000 -1.560 0.000 0.801 252 A HN 0.248 nan 8.150 nan 0.000 0.455 253 N N -0.940 117.595 118.700 -0.275 0.000 2.251 253 N HA 0.245 4.985 4.740 0.000 0.000 0.217 253 N C 0.898 176.356 175.510 -0.087 0.000 1.124 253 N CA 0.824 53.797 53.050 -0.128 0.000 0.843 253 N CB 0.618 39.064 38.487 -0.069 0.000 1.024 253 N HN 0.568 nan 8.380 nan 0.000 0.501 254 G N -0.304 108.441 108.800 -0.091 0.000 2.136 254 G HA2 -0.215 3.745 3.960 0.000 0.000 0.242 254 G HA3 -0.215 3.745 3.960 0.000 0.000 0.242 254 G C 0.522 175.405 174.900 -0.029 0.000 0.989 254 G CA 0.122 45.194 45.100 -0.046 0.000 0.682 254 G HN 0.585 nan 8.290 nan 0.000 0.522 255 G N -0.887 107.870 108.800 -0.072 0.000 2.531 255 G HA2 0.625 4.585 3.960 0.000 0.000 0.281 255 G HA3 0.625 4.585 3.960 0.000 0.000 0.281 255 G C 0.620 175.493 174.900 -0.046 0.000 1.382 255 G CA 0.047 45.091 45.100 -0.094 0.000 1.045 255 G HN 0.799 nan 8.290 nan 0.000 0.533 256 Y N -1.917 118.347 120.300 -0.060 0.000 2.509 256 Y HA 0.467 5.017 4.550 0.001 0.000 0.270 256 Y C 1.251 177.168 175.900 0.027 0.000 1.103 256 Y CA -0.408 57.671 58.100 -0.035 0.000 1.278 256 Y CB -0.632 37.667 38.460 -0.268 0.000 1.087 256 Y HN 1.088 nan 8.280 nan 0.000 0.542 257 G N 0.423 109.043 108.800 -0.301 0.000 2.846 257 G HA2 -0.321 3.640 3.960 0.000 0.000 0.660 257 G HA3 -0.321 3.640 3.960 0.000 0.000 0.660 257 G C -0.205 174.696 174.900 0.001 0.000 1.464 257 G CA -0.029 44.995 45.100 -0.126 0.000 0.891 257 G HN 0.366 nan 8.290 nan 0.000 0.552 258 Y N 0.660 120.999 120.300 0.065 0.000 2.181 258 Y HA -0.077 4.473 4.550 0.000 0.000 0.288 258 Y C 2.743 178.736 175.900 0.154 0.000 1.146 258 Y CA 2.029 60.194 58.100 0.108 0.000 1.164 258 Y CB -0.165 38.339 38.460 0.073 0.000 0.982 258 Y HN 0.698 nan 8.280 nan 0.000 0.515 259 D N -0.899 119.686 120.400 0.308 0.000 2.392 259 D HA -0.234 4.406 4.640 0.000 0.000 0.228 259 D C 1.633 178.069 176.300 0.227 0.000 1.003 259 D CA 0.276 54.410 54.000 0.223 0.000 0.917 259 D CB -1.091 39.805 40.800 0.160 0.000 0.890 259 D HN 0.506 nan 8.370 nan 0.000 0.532 260 Y N 0.773 121.167 120.300 0.157 0.000 2.256 260 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 260 Y C 1.992 177.970 175.900 0.130 0.000 1.155 260 Y CA 1.077 59.266 58.100 0.149 0.000 1.203 260 Y CB -0.215 38.373 38.460 0.214 0.000 0.980 260 Y HN 0.077 nan 8.280 nan 0.000 0.530 261 L N 0.022 121.413 121.223 0.279 0.000 2.042 261 L HA -0.216 4.124 4.340 0.000 0.000 0.210 261 L C 1.838 178.768 176.870 0.100 0.000 1.076 261 L CA 1.949 56.904 54.840 0.192 0.000 0.749 261 L CB -0.570 41.580 42.059 0.152 0.000 0.893 261 L HN 0.360 nan 8.230 nan 0.000 0.432 262 L N -1.736 119.529 121.223 0.071 0.000 2.298 262 L HA 0.003 4.344 4.340 0.000 0.000 0.209 262 L C 2.312 179.180 176.870 -0.003 0.000 1.084 262 L CA 1.014 55.876 54.840 0.036 0.000 0.816 262 L CB -0.737 41.368 42.059 0.076 0.000 0.967 262 L HN 0.404 nan 8.230 nan 0.000 0.460 263 T N -5.192 109.349 114.554 -0.022 0.000 3.014 263 T HA 0.003 4.353 4.350 0.000 0.000 0.263 263 T C 1.462 176.073 174.700 -0.149 0.000 1.078 263 T CA 1.330 63.398 62.100 -0.053 0.000 1.135 263 T CB 0.078 68.937 68.868 -0.014 0.000 0.895 263 T HN 0.155 nan 8.240 nan 0.000 0.480 264 T N -0.223 114.154 114.554 -0.295 0.000 3.232 264 T HA 0.303 4.653 4.350 0.000 0.000 0.259 264 T C 1.026 175.535 174.700 -0.320 0.000 0.987 264 T CA -0.193 61.650 62.100 -0.427 0.000 1.096 264 T CB -0.490 67.825 68.868 -0.922 0.000 1.131 264 T HN 0.206 nan 8.240 nan 0.000 0.445 265 F N 2.605 122.296 119.950 -0.432 0.000 2.084 265 F HA 0.008 4.535 4.527 0.000 0.000 0.296 265 F C 1.947 177.650 175.800 -0.162 0.000 1.111 265 F CA 1.122 58.996 58.000 -0.210 0.000 1.224 265 F CB -0.298 38.657 39.000 -0.074 0.000 0.991 265 F HN -0.027 nan 8.300 nan 0.000 0.471 266 I N 0.909 121.437 120.570 -0.071 0.000 2.226 266 I HA -0.184 3.986 4.170 0.000 0.000 0.245 266 I C -0.473 175.523 176.117 -0.203 0.000 1.100 266 I CA 1.455 62.661 61.300 -0.157 0.000 1.374 266 I CB -2.765 35.200 38.000 -0.057 0.000 1.057 266 I HN 0.113 nan 8.210 nan 0.000 0.413 267 P HA -0.160 nan 4.420 nan 0.000 0.216 267 P C 1.762 178.959 177.300 -0.172 0.000 1.150 267 P CA 1.431 64.452 63.100 -0.130 0.000 0.837 267 P CB -0.029 31.606 31.700 -0.107 0.000 0.786 268 Q N -1.341 118.308 119.800 -0.252 0.000 2.119 268 Q HA -0.132 4.208 4.340 0.000 0.000 0.201 268 Q C 2.014 177.828 176.000 -0.311 0.000 0.972 268 Q CA 0.872 56.516 55.803 -0.265 0.000 0.847 268 Q CB -0.709 27.848 28.738 -0.303 0.000 0.903 268 Q HN 0.167 nan 8.270 nan 0.000 0.433 269 L N 0.933 121.873 121.223 -0.472 0.000 2.027 269 L HA -0.154 4.186 4.340 0.000 0.000 0.206 269 L C 2.131 178.862 176.870 -0.232 0.000 1.074 269 L CA 1.740 56.271 54.840 -0.515 0.000 0.745 269 L CB -0.239 41.372 42.059 -0.747 0.000 0.898 269 L HN 0.019 nan 8.230 nan 0.000 0.433 270 R N -1.000 119.414 120.500 -0.143 0.000 2.096 270 R HA -0.173 4.168 4.340 0.000 0.000 0.235 270 R C 2.212 178.518 176.300 0.010 0.000 1.127 270 R CA 1.669 57.764 56.100 -0.008 0.000 0.968 270 R CB -0.342 29.951 30.300 -0.011 0.000 0.861 270 R HN 0.549 nan 8.270 nan 0.000 0.440 271 Q N 0.058 119.835 119.800 -0.038 0.000 2.124 271 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 271 Q C 2.037 178.040 176.000 0.006 0.000 0.977 271 Q CA 1.878 57.667 55.803 -0.023 0.000 0.850 271 Q CB 0.028 28.733 28.738 -0.054 0.000 0.901 271 Q HN 0.337 nan 8.270 nan 0.000 0.429 272 S N -1.606 114.107 115.700 0.022 0.000 2.561 272 S HA 0.150 4.620 4.470 0.000 0.000 0.225 272 S C 1.326 176.062 174.600 0.226 0.000 0.977 272 S CA 0.524 58.770 58.200 0.078 0.000 0.926 272 S CB 0.618 63.873 63.200 0.091 0.000 0.769 272 S HN 0.506 nan 8.310 nan 0.000 0.533 273 G N -0.337 108.604 108.800 0.235 0.000 2.367 273 G HA2 -0.091 3.869 3.960 0.000 0.000 0.181 273 G HA3 -0.091 3.869 3.960 0.000 0.000 0.181 273 G C -0.221 174.831 174.900 0.254 0.000 1.000 273 G CA -0.619 44.635 45.100 0.256 0.000 0.693 273 G HN 0.356 nan 8.290 nan 0.000 0.480 274 F N 3.340 123.271 119.950 -0.032 0.000 2.484 274 F HA 0.542 5.069 4.527 -0.000 0.000 0.360 274 F C 1.464 177.232 175.800 -0.052 0.000 1.101 274 F CA -0.157 57.787 58.000 -0.094 0.000 1.251 274 F CB 1.296 40.204 39.000 -0.154 0.000 1.132 274 F HN 0.251 nan 8.300 nan 0.000 0.570 275 S N 2.286 118.017 115.700 0.052 0.000 2.614 275 S HA 0.122 4.593 4.470 0.000 0.000 0.265 275 S C 0.897 175.540 174.600 0.071 0.000 1.303 275 S CA -0.664 57.558 58.200 0.038 0.000 1.000 275 S CB 1.271 64.464 63.200 -0.011 0.000 0.935 275 S HN 0.638 nan 8.310 nan 0.000 0.551 276 Q N 1.145 120.983 119.800 0.062 0.000 2.224 276 Q HA 0.064 4.404 4.340 0.000 0.000 0.203 276 Q C 2.044 178.095 176.000 0.086 0.000 0.970 276 Q CA 1.885 57.736 55.803 0.080 0.000 0.865 276 Q CB -0.969 27.815 28.738 0.076 0.000 0.922 276 Q HN 0.909 nan 8.270 nan 0.000 0.445 277 A N 0.304 123.158 122.820 0.056 0.000 1.898 277 A HA -0.170 4.150 4.320 0.000 0.000 0.216 277 A C 1.774 179.385 177.584 0.045 0.000 1.181 277 A CA 1.619 53.686 52.037 0.049 0.000 0.620 277 A CB -0.611 18.401 19.000 0.021 0.000 0.819 277 A HN 0.405 nan 8.150 nan 0.000 0.442 278 D N -0.075 120.334 120.400 0.016 0.000 2.104 278 D HA -0.125 4.515 4.640 0.000 0.000 0.194 278 D C 2.106 178.473 176.300 0.111 0.000 0.994 278 D CA 1.581 55.577 54.000 -0.007 0.000 0.830 278 D CB -0.475 40.230 40.800 -0.158 0.000 0.959 278 D HN 0.213 nan 8.370 nan 0.000 0.452 279 V N 1.623 121.627 119.914 0.150 0.000 2.295 279 V HA -0.221 3.899 4.120 0.000 0.000 0.246 279 V C 1.787 177.926 176.094 0.075 0.000 1.049 279 V CA 1.802 64.167 62.300 0.109 0.000 1.024 279 V CB -0.432 31.428 31.823 0.062 0.000 0.648 279 V HN 0.054 nan 8.190 nan 0.000 0.447 280 D N -0.217 120.260 120.400 0.128 0.000 2.218 280 D HA -0.108 4.533 4.640 0.000 0.000 0.204 280 D C 2.088 178.486 176.300 0.163 0.000 0.976 280 D CA 0.864 54.986 54.000 0.203 0.000 0.853 280 D CB -0.234 40.699 40.800 0.222 0.000 0.939 280 D HN 0.312 nan 8.370 nan 0.000 0.481 281 V N 0.691 120.674 119.914 0.115 0.000 2.295 281 V HA -0.244 3.876 4.120 0.000 0.000 0.246 281 V C 2.395 178.562 176.094 0.122 0.000 1.049 281 V CA 1.441 63.805 62.300 0.106 0.000 1.024 281 V CB -0.320 31.543 31.823 0.066 0.000 0.648 281 V HN 0.219 nan 8.190 nan 0.000 0.447 282 M N -1.004 118.658 119.600 0.103 0.000 2.156 282 M HA -0.070 4.410 4.480 0.000 0.000 0.264 282 M C 2.087 178.451 176.300 0.107 0.000 1.067 282 M CA 1.817 57.176 55.300 0.099 0.000 1.131 282 M CB -0.318 32.322 32.600 0.067 0.000 1.368 282 M HN 0.227 nan 8.290 nan 0.000 0.416 283 L N -1.089 120.172 121.223 0.063 0.000 2.270 283 L HA -0.031 4.310 4.340 0.000 0.000 0.210 283 L C 2.600 179.628 176.870 0.262 0.000 1.104 283 L CA 0.735 55.602 54.840 0.045 0.000 0.804 283 L CB -0.274 41.553 42.059 -0.387 0.000 0.937 283 L HN 0.324 nan 8.230 nan 0.000 0.450 284 R N -0.318 120.367 120.500 0.309 0.000 2.197 284 R HA 0.038 4.379 4.340 0.000 0.000 0.188 284 R C 1.914 178.372 176.300 0.263 0.000 1.015 284 R CA 0.105 56.400 56.100 0.325 0.000 1.132 284 R CB 0.254 30.743 30.300 0.316 0.000 1.134 284 R HN 0.141 nan 8.270 nan 0.000 0.560 285 E N 0.998 121.325 120.200 0.212 0.000 2.017 285 E HA -0.173 4.177 4.350 0.000 0.000 0.193 285 E C 1.636 178.354 176.600 0.196 0.000 0.997 285 E CA 1.462 57.970 56.400 0.181 0.000 0.804 285 E CB -0.149 29.636 29.700 0.141 0.000 0.757 285 E HN 0.285 nan 8.360 nan 0.000 0.448 286 N N 0.552 119.374 118.700 0.203 0.000 2.036 286 N HA -0.130 4.610 4.740 0.000 0.000 0.195 286 N C -0.954 174.660 175.510 0.172 0.000 1.037 286 N CA 1.461 54.644 53.050 0.222 0.000 0.855 286 N CB -1.612 37.020 38.487 0.242 0.000 1.033 286 N HN 0.114 nan 8.380 nan 0.000 0.423 287 P HA 0.006 nan 4.420 nan 0.000 0.216 287 P C 1.378 178.925 177.300 0.412 0.000 1.153 287 P CA 1.333 64.723 63.100 0.484 0.000 0.848 287 P CB 0.020 32.112 31.700 0.654 0.000 0.787 288 S N -0.501 115.424 115.700 0.375 0.000 2.383 288 S HA -0.219 4.251 4.470 0.000 0.000 0.229 288 S C 1.889 176.495 174.600 0.010 0.000 1.030 288 S CA 1.331 59.669 58.200 0.230 0.000 1.002 288 S CB -0.810 62.566 63.200 0.295 0.000 0.829 288 S HN 0.365 nan 8.310 nan 0.000 0.467 289 Q N -0.878 118.956 119.800 0.055 0.000 2.187 289 Q HA 0.075 4.415 4.340 0.000 0.000 0.199 289 Q C 1.763 177.711 176.000 -0.088 0.000 0.957 289 Q CA 0.942 56.753 55.803 0.013 0.000 0.857 289 Q CB -0.130 28.670 28.738 0.103 0.000 0.929 289 Q HN 0.575 nan 8.270 nan 0.000 0.453 290 F N -0.411 119.320 119.950 -0.364 0.000 2.220 290 F HA -0.010 4.518 4.527 0.001 0.000 0.290 290 F C 1.276 176.690 175.800 -0.642 0.000 1.080 290 F CA 0.771 58.374 58.000 -0.662 0.000 1.318 290 F CB 0.169 38.461 39.000 -1.181 0.000 1.063 290 F HN -0.097 nan 8.300 nan 0.000 0.498 291 F N 0.810 120.698 119.950 -0.103 0.000 2.661 291 F HA 0.073 4.600 4.527 0.000 0.000 0.298 291 F C 1.342 176.886 175.800 -0.426 0.000 1.137 291 F CA 0.294 58.160 58.000 -0.223 0.000 1.454 291 F CB -0.871 38.083 39.000 -0.077 0.000 1.103 291 F HN -0.013 nan 8.300 nan 0.000 0.577 292 Q N 0.000 119.574 119.800 -0.377 0.000 2.315 292 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 292 Q CA 0.000 55.601 55.803 -0.336 0.000 1.022 292 Q CB 0.000 28.522 28.738 -0.360 0.000 1.108 292 Q HN 0.000 nan 8.270 nan 0.000 0.481