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 3eiq_1_A DATA FIRST_RESID 22 DATA SEQUENCE VIESNWNEIV DSFDDMNLSE SLLRGIYAYG FEKPSAIQQR AILPCIKGYD DATA SEQUENCE VIAQAQSGTG KTATFAISIL QQIELDLKAT QALVLAPTRE LAQQIQKVVM DATA SEQUENCE ALGDYMGASC HACIGGTNVR AEVQKLQMEA PHIIVGTPGR VFDMLNRRYL DATA SEQUENCE SPKYIKMFVL DEADEMLSRG FKDQIYDIFQ KLNSNTQVVL LSATMPSDVL DATA SEQUENCE EVTKKFMRDP IRILVKKEEL TLEGIRQFYI NVEREEWKLD TLCDLYETLT DATA SEQUENCE ITQAVIFINT RRKVDWLTEK MHARDFTVSA MXXXMDQKER DVIMREFRSG DATA SEQUENCE XXXVLITTDL LAXXIDVQQV SLVINYDLPT NRENYIHRIG RXXXXXXXGV DATA SEQUENCE AINMVTEEDK RTLRDIETFY NTSIEEMPL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.111 176.094 0.028 0.000 1.182 22 V CA 0.000 62.317 62.300 0.028 0.000 1.235 22 V CB 0.000 31.841 31.823 0.031 0.000 1.184 23 I N -0.323 120.266 120.570 0.032 0.000 2.499 23 I HA 0.715 4.885 4.170 -0.001 0.000 0.296 23 I C -0.023 176.113 176.117 0.032 0.000 0.992 23 I CA -0.141 61.178 61.300 0.032 0.000 1.297 23 I CB 1.361 39.382 38.000 0.034 0.000 1.410 23 I HN 0.774 nan 8.210 nan 0.000 0.507 24 E N 3.808 124.026 120.200 0.030 0.000 2.180 24 E HA 0.141 4.490 4.350 -0.001 0.000 0.283 24 E C -0.464 176.159 176.600 0.038 0.000 1.061 24 E CA -0.272 56.145 56.400 0.029 0.000 0.861 24 E CB 0.925 30.639 29.700 0.024 0.000 1.056 24 E HN 0.696 nan 8.360 nan 0.000 0.407 25 S N 3.460 119.185 115.700 0.042 0.000 2.549 25 S HA 0.052 4.521 4.470 -0.001 0.000 0.283 25 S C 0.214 174.850 174.600 0.060 0.000 1.320 25 S CA -0.371 57.865 58.200 0.060 0.000 1.058 25 S CB 0.220 63.454 63.200 0.057 0.000 0.882 25 S HN 0.684 nan 8.310 nan 0.000 0.498 26 N N 4.635 123.392 118.700 0.095 0.000 2.536 26 N HA 0.086 4.826 4.740 -0.001 0.000 0.286 26 N C -1.064 174.552 175.510 0.177 0.000 1.577 26 N CA -0.461 52.645 53.050 0.092 0.000 0.883 26 N CB 0.165 38.695 38.487 0.071 0.000 1.390 26 N HN 0.695 nan 8.380 nan 0.000 0.491 27 W N 2.357 123.633 121.300 -0.040 0.000 4.324 27 W HA 0.215 4.875 4.660 -0.001 0.000 0.275 27 W C -2.367 174.133 176.519 -0.032 0.000 1.256 27 W CA -0.445 56.869 57.345 -0.051 0.000 1.434 27 W CB 0.032 29.449 29.460 -0.070 0.000 1.016 27 W HN 0.148 nan 8.180 nan 0.000 0.422 28 N N 3.748 122.153 118.700 -0.492 0.000 2.629 28 N HA 0.290 5.030 4.740 -0.001 0.000 0.277 28 N C -1.681 173.505 175.510 -0.540 0.000 1.188 28 N CA -0.125 52.683 53.050 -0.403 0.000 0.835 28 N CB 1.343 39.780 38.487 -0.083 0.000 1.420 28 N HN 0.436 nan 8.380 nan 0.000 0.542 29 E N 2.132 121.908 120.200 -0.707 0.000 2.256 29 E HA 0.564 4.914 4.350 -0.001 0.000 0.267 29 E C -0.515 176.002 176.600 -0.139 0.000 0.892 29 E CA -0.868 55.273 56.400 -0.432 0.000 0.775 29 E CB 2.548 31.896 29.700 -0.587 0.000 1.207 29 E HN 0.471 nan 8.360 nan 0.000 0.420 30 I N 1.793 122.314 120.570 -0.080 0.000 2.465 30 I HA 0.253 4.423 4.170 -0.001 0.000 0.291 30 I C -0.990 175.117 176.117 -0.017 0.000 1.014 30 I CA -0.957 60.328 61.300 -0.026 0.000 1.093 30 I CB 1.960 39.936 38.000 -0.040 0.000 1.267 30 I HN 0.209 nan 8.210 nan 0.000 0.431 31 V N 5.862 125.769 119.914 -0.012 0.000 2.334 31 V HA 0.183 4.302 4.120 -0.001 0.000 0.281 31 V C 0.153 176.200 176.094 -0.079 0.000 1.016 31 V CA -0.533 61.749 62.300 -0.030 0.000 0.832 31 V CB 1.048 32.863 31.823 -0.012 0.000 0.999 31 V HN 0.687 nan 8.190 nan 0.000 0.439 32 D N 1.981 122.346 120.400 -0.058 0.000 2.092 32 D HA -0.077 4.563 4.640 -0.001 0.000 0.193 32 D C 1.027 177.272 176.300 -0.092 0.000 0.994 32 D CA 1.403 55.365 54.000 -0.062 0.000 0.828 32 D CB 0.189 40.973 40.800 -0.026 0.000 0.963 32 D HN 0.500 nan 8.370 nan 0.000 0.450 33 S N -1.347 114.317 115.700 -0.060 0.000 2.537 33 S HA 0.297 4.767 4.470 -0.001 0.000 0.301 33 S C 0.433 175.007 174.600 -0.043 0.000 1.092 33 S CA -0.753 57.439 58.200 -0.014 0.000 1.048 33 S CB 0.755 64.006 63.200 0.086 0.000 1.053 33 S HN -0.036 nan 8.310 nan 0.000 0.501 34 F N 1.198 121.197 119.950 0.082 0.000 2.494 34 F HA -0.063 4.464 4.527 -0.001 0.000 0.298 34 F C 1.893 177.723 175.800 0.050 0.000 1.106 34 F CA 0.678 58.693 58.000 0.025 0.000 1.452 34 F CB -0.109 38.858 39.000 -0.056 0.000 1.085 34 F HN 0.500 nan 8.300 nan 0.000 0.569 35 D N -0.121 120.437 120.400 0.263 0.000 2.178 35 D HA -0.113 4.526 4.640 -0.001 0.000 0.202 35 D C 1.137 177.510 176.300 0.121 0.000 0.974 35 D CA 1.066 55.184 54.000 0.196 0.000 0.841 35 D CB -0.276 40.632 40.800 0.180 0.000 0.953 35 D HN 0.180 nan 8.370 nan 0.000 0.478 36 D N -0.413 120.041 120.400 0.090 0.000 2.413 36 D HA 0.081 4.721 4.640 -0.001 0.000 0.237 36 D C 0.891 177.226 176.300 0.059 0.000 1.171 36 D CA 0.107 54.144 54.000 0.062 0.000 0.839 36 D CB 0.032 40.857 40.800 0.041 0.000 0.950 36 D HN 0.324 nan 8.370 nan 0.000 0.499 37 M N -0.671 118.973 119.600 0.073 0.000 2.347 37 M HA 0.075 4.554 4.480 -0.001 0.000 0.302 37 M C -0.529 175.806 176.300 0.058 0.000 1.051 37 M CA -0.298 55.042 55.300 0.066 0.000 0.988 37 M CB -0.118 32.527 32.600 0.075 0.000 1.475 37 M HN -0.175 nan 8.290 nan 0.000 0.530 38 N N 2.067 120.801 118.700 0.057 0.000 2.678 38 N HA -0.168 4.571 4.740 -0.001 0.000 0.268 38 N C -1.182 174.350 175.510 0.037 0.000 1.010 38 N CA 0.444 53.521 53.050 0.045 0.000 0.784 38 N CB -1.382 37.127 38.487 0.037 0.000 0.905 38 N HN 0.410 nan 8.380 nan 0.000 0.552 39 L N -0.410 120.837 121.223 0.039 0.000 2.379 39 L HA 0.397 4.736 4.340 -0.001 0.000 0.269 39 L C 1.263 178.142 176.870 0.015 0.000 1.084 39 L CA -0.928 53.925 54.840 0.021 0.000 0.802 39 L CB 1.263 43.329 42.059 0.011 0.000 1.175 39 L HN 0.396 nan 8.230 nan 0.000 0.448 40 S N 0.760 116.464 115.700 0.007 0.000 2.536 40 S HA -0.145 4.325 4.470 -0.001 0.000 0.294 40 S C 1.064 175.669 174.600 0.009 0.000 1.289 40 S CA 0.330 58.535 58.200 0.008 0.000 1.035 40 S CB 0.420 63.624 63.200 0.006 0.000 0.783 40 S HN 0.769 nan 8.310 nan 0.000 0.497 41 E N 1.741 121.949 120.200 0.013 0.000 2.112 41 E HA -0.057 4.293 4.350 -0.001 0.000 0.190 41 E C 2.172 178.772 176.600 -0.001 0.000 0.979 41 E CA 1.102 57.509 56.400 0.011 0.000 0.814 41 E CB -0.118 29.589 29.700 0.011 0.000 0.762 41 E HN 0.762 nan 8.360 nan 0.000 0.460 42 S N 1.051 116.759 115.700 0.014 0.000 2.399 42 S HA -0.159 4.310 4.470 -0.001 0.000 0.231 42 S C 1.829 176.469 174.600 0.068 0.000 1.022 42 S CA 0.616 58.844 58.200 0.047 0.000 0.983 42 S CB -0.125 63.126 63.200 0.084 0.000 0.803 42 S HN 0.161 nan 8.310 nan 0.000 0.480 43 L N 1.254 122.490 121.223 0.021 0.000 2.072 43 L HA 0.084 4.424 4.340 -0.001 0.000 0.205 43 L C 1.973 178.801 176.870 -0.071 0.000 1.079 43 L CA 1.305 56.137 54.840 -0.013 0.000 0.752 43 L CB -0.727 41.312 42.059 -0.033 0.000 0.906 43 L HN 0.165 nan 8.230 nan 0.000 0.436 44 L N -0.143 121.028 121.223 -0.086 0.000 2.012 44 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 44 L C 2.759 179.534 176.870 -0.159 0.000 1.073 44 L CA 1.713 56.443 54.840 -0.184 0.000 0.748 44 L CB -1.005 41.025 42.059 -0.049 0.000 0.891 44 L HN 0.309 nan 8.230 nan 0.000 0.431 45 R N -0.874 119.606 120.500 -0.033 0.000 2.152 45 R HA -0.102 4.238 4.340 -0.001 0.000 0.232 45 R C 1.987 178.347 176.300 0.099 0.000 1.117 45 R CA 1.150 57.233 56.100 -0.028 0.000 0.981 45 R CB -0.478 29.625 30.300 -0.328 0.000 0.870 45 R HN 0.537 nan 8.270 nan 0.000 0.451 46 G N 0.971 109.875 108.800 0.172 0.000 2.426 46 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.214 46 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.214 46 G C 1.435 176.403 174.900 0.114 0.000 1.156 46 G CA 0.320 45.583 45.100 0.272 0.000 0.802 46 G HN 0.430 nan 8.290 nan 0.000 0.534 47 I N -2.543 117.978 120.570 -0.082 0.000 2.761 47 I HA 0.090 4.260 4.170 -0.001 0.000 0.261 47 I C 1.937 178.033 176.117 -0.035 0.000 1.198 47 I CA 0.719 61.933 61.300 -0.142 0.000 1.482 47 I CB -0.167 37.528 38.000 -0.509 0.000 1.100 47 I HN 0.051 nan 8.210 nan 0.000 0.445 48 Y N 1.976 122.314 120.300 0.063 0.000 2.314 48 Y HA 0.213 4.763 4.550 -0.001 0.000 0.294 48 Y C 2.922 178.907 175.900 0.141 0.000 1.119 48 Y CA 0.858 59.011 58.100 0.088 0.000 1.179 48 Y CB -0.802 37.684 38.460 0.042 0.000 1.025 48 Y HN 0.222 nan 8.280 nan 0.000 0.541 49 A N -1.237 121.769 122.820 0.309 0.000 2.067 49 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 49 A C 1.861 179.595 177.584 0.250 0.000 1.158 49 A CA 1.029 53.226 52.037 0.267 0.000 0.661 49 A CB -1.123 18.076 19.000 0.332 0.000 0.801 49 A HN 0.536 nan 8.150 nan 0.000 0.452 50 Y N -0.149 120.223 120.300 0.120 0.000 2.571 50 Y HA 0.229 4.779 4.550 -0.001 0.000 0.294 50 Y C 1.711 177.618 175.900 0.011 0.000 1.141 50 Y CA 0.881 59.010 58.100 0.048 0.000 1.308 50 Y CB 0.041 38.546 38.460 0.076 0.000 1.002 50 Y HN 0.425 nan 8.280 nan 0.000 0.551 51 G N -1.778 107.090 108.800 0.113 0.000 2.284 51 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.201 51 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.201 51 G C 0.173 175.147 174.900 0.124 0.000 0.998 51 G CA -0.231 44.919 45.100 0.082 0.000 0.651 51 G HN 0.115 nan 8.290 nan 0.000 0.489 52 F N 1.353 121.477 119.950 0.291 0.000 2.545 52 F HA 0.543 5.070 4.527 -0.001 0.000 0.348 52 F C 1.496 177.462 175.800 0.276 0.000 1.163 52 F CA 1.184 59.333 58.000 0.248 0.000 1.331 52 F CB 0.887 39.976 39.000 0.148 0.000 1.138 52 F HN 0.257 nan 8.300 nan 0.000 0.602 53 E N 0.360 120.871 120.200 0.519 0.000 3.275 53 E HA 0.189 4.539 4.350 -0.001 0.000 0.182 53 E C -0.262 176.649 176.600 0.519 0.000 1.217 53 E CA -0.212 56.434 56.400 0.410 0.000 1.276 53 E CB 0.552 30.370 29.700 0.196 0.000 1.980 53 E HN 0.320 nan 8.360 nan 0.000 0.516 54 K N 2.190 122.810 120.400 0.366 0.000 2.118 54 K HA 0.381 4.701 4.320 -0.001 0.000 0.254 54 K C -2.514 174.200 176.600 0.189 0.000 0.961 54 K CA -2.076 54.349 56.287 0.229 0.000 0.876 54 K CB 1.373 33.932 32.500 0.098 0.000 1.077 54 K HN 0.194 nan 8.250 nan 0.000 0.440 55 P HA -0.022 nan 4.420 nan 0.000 0.271 55 P C 0.052 177.297 177.300 -0.091 0.000 1.216 55 P CA -0.084 62.758 63.100 -0.430 0.000 0.771 55 P CB 0.781 31.949 31.700 -0.886 0.000 0.864 56 S N 2.443 118.158 115.700 0.026 0.000 2.626 56 S HA 0.323 4.792 4.470 -0.001 0.000 0.257 56 S C 1.619 176.236 174.600 0.027 0.000 1.288 56 S CA 0.082 58.325 58.200 0.070 0.000 0.980 56 S CB -0.047 63.241 63.200 0.147 0.000 0.975 56 S HN 0.537 nan 8.310 nan 0.000 0.577 57 A N 1.370 124.218 122.820 0.047 0.000 1.891 57 A HA -0.180 4.140 4.320 -0.001 0.000 0.221 57 A C 2.241 179.850 177.584 0.042 0.000 1.394 57 A CA 2.115 54.176 52.037 0.041 0.000 0.730 57 A CB -1.605 17.428 19.000 0.056 0.000 0.845 57 A HN 0.877 nan 8.150 nan 0.000 0.471 58 I N -0.302 120.304 120.570 0.060 0.000 2.185 58 I HA -0.350 3.819 4.170 -0.001 0.000 0.246 58 I C 2.762 178.905 176.117 0.043 0.000 1.088 58 I CA 2.397 63.736 61.300 0.066 0.000 1.347 58 I CB -0.827 37.223 38.000 0.083 0.000 1.041 58 I HN 0.569 nan 8.210 nan 0.000 0.415 59 Q N -0.144 119.663 119.800 0.012 0.000 2.119 59 Q HA -0.224 4.115 4.340 -0.001 0.000 0.201 59 Q C 2.023 177.982 176.000 -0.069 0.000 0.972 59 Q CA 1.223 57.003 55.803 -0.039 0.000 0.847 59 Q CB -0.105 28.579 28.738 -0.090 0.000 0.903 59 Q HN 0.610 nan 8.270 nan 0.000 0.433 60 Q N -0.158 119.600 119.800 -0.071 0.000 2.437 60 Q HA -0.072 4.267 4.340 -0.001 0.000 0.210 60 Q C 1.505 177.529 176.000 0.041 0.000 0.972 60 Q CA 0.720 56.489 55.803 -0.056 0.000 0.903 60 Q CB 0.147 28.855 28.738 -0.050 0.000 0.967 60 Q HN 0.271 nan 8.270 nan 0.000 0.486 61 R N -0.996 119.556 120.500 0.086 0.000 2.257 61 R HA 0.223 4.562 4.340 -0.001 0.000 0.195 61 R C 1.537 177.965 176.300 0.214 0.000 0.921 61 R CA 0.730 56.950 56.100 0.200 0.000 1.069 61 R CB 0.409 30.813 30.300 0.174 0.000 1.115 61 R HN 0.082 nan 8.270 nan 0.000 0.571 62 A N 0.504 123.385 122.820 0.101 0.000 2.167 62 A HA 0.196 4.516 4.320 -0.001 0.000 0.208 62 A C 1.828 179.423 177.584 0.019 0.000 1.198 62 A CA -0.017 52.044 52.037 0.040 0.000 0.863 62 A CB 0.074 19.103 19.000 0.048 0.000 0.904 62 A HN 0.035 nan 8.150 nan 0.000 0.484 63 I N -0.105 120.487 120.570 0.037 0.000 2.113 63 I HA -0.269 3.900 4.170 -0.001 0.000 0.238 63 I C 2.444 178.579 176.117 0.030 0.000 1.070 63 I CA 1.212 62.530 61.300 0.031 0.000 1.332 63 I CB -0.398 37.620 38.000 0.031 0.000 1.044 63 I HN 0.293 nan 8.210 nan 0.000 0.402 64 L N 0.649 121.909 121.223 0.061 0.000 1.963 64 L HA -0.225 4.114 4.340 -0.001 0.000 0.220 64 L C -0.097 176.784 176.870 0.018 0.000 1.076 64 L CA 2.341 57.229 54.840 0.080 0.000 0.772 64 L CB -2.001 40.175 42.059 0.195 0.000 0.892 64 L HN 0.129 nan 8.230 nan 0.000 0.435 65 P HA -0.214 nan 4.420 nan 0.000 0.220 65 P C 1.746 179.026 177.300 -0.033 0.000 1.155 65 P CA 1.767 64.738 63.100 -0.216 0.000 0.880 65 P CB -0.130 31.217 31.700 -0.587 0.000 0.790 66 C N -1.487 117.788 119.300 -0.042 0.000 2.548 66 C HA -0.073 4.387 4.460 -0.001 0.000 0.284 66 C C 2.624 177.599 174.990 -0.024 0.000 1.252 66 C CA 0.360 59.368 59.018 -0.016 0.000 1.725 66 C CB -1.627 26.120 27.740 0.011 0.000 2.098 66 C HN 0.169 nan 8.230 nan 0.000 0.471 67 I N 0.806 121.369 120.570 -0.012 0.000 2.147 67 I HA -0.351 3.819 4.170 -0.001 0.000 0.245 67 I C 2.266 178.352 176.117 -0.053 0.000 1.059 67 I CA 1.810 63.100 61.300 -0.018 0.000 1.320 67 I CB -0.425 37.578 38.000 0.003 0.000 1.021 67 I HN 0.450 nan 8.210 nan 0.000 0.415 68 K N 0.198 120.555 120.400 -0.070 0.000 2.555 68 K HA 0.002 4.322 4.320 -0.001 0.000 0.193 68 K C 1.279 177.655 176.600 -0.375 0.000 1.032 68 K CA 0.712 56.893 56.287 -0.176 0.000 1.004 68 K CB 0.071 32.496 32.500 -0.124 0.000 0.804 68 K HN 0.625 nan 8.250 nan 0.000 0.496 69 G N 0.193 108.834 108.800 -0.264 0.000 2.213 69 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.226 69 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.226 69 G C -0.210 174.558 174.900 -0.219 0.000 0.992 69 G CA -0.359 44.599 45.100 -0.237 0.000 0.632 69 G HN 0.192 nan 8.290 nan 0.000 0.511 70 Y N 2.331 122.581 120.300 -0.082 0.000 2.597 70 Y HA 0.359 4.909 4.550 -0.001 0.000 0.336 70 Y C 0.932 176.790 175.900 -0.070 0.000 1.216 70 Y CA -0.303 57.743 58.100 -0.091 0.000 1.463 70 Y CB 0.343 38.701 38.460 -0.170 0.000 1.303 70 Y HN 0.066 nan 8.280 nan 0.000 0.576 71 D N 1.979 122.454 120.400 0.125 0.000 2.458 71 D HA 0.209 4.849 4.640 -0.001 0.000 0.243 71 D C -0.653 175.671 176.300 0.040 0.000 1.146 71 D CA 0.300 54.347 54.000 0.078 0.000 0.877 71 D CB 0.957 41.811 40.800 0.090 0.000 1.176 71 D HN 0.164 nan 8.370 nan 0.000 0.461 72 V N 3.525 123.445 119.914 0.010 0.000 2.656 72 V HA 0.396 4.516 4.120 -0.001 0.000 0.307 72 V C 0.037 176.123 176.094 -0.014 0.000 1.051 72 V CA -0.932 61.351 62.300 -0.029 0.000 0.893 72 V CB 2.309 34.100 31.823 -0.053 0.000 0.999 72 V HN 0.458 nan 8.190 nan 0.000 0.426 73 I N 3.688 124.252 120.570 -0.010 0.000 2.466 73 I HA 0.832 5.002 4.170 -0.001 0.000 0.279 73 I C -0.226 175.898 176.117 0.012 0.000 1.033 73 I CA -0.455 60.847 61.300 0.004 0.000 1.123 73 I CB 1.158 39.170 38.000 0.020 0.000 1.237 73 I HN 0.665 nan 8.210 nan 0.000 0.460 74 A N 6.483 129.310 122.820 0.012 0.000 2.260 74 A HA 0.431 4.751 4.320 -0.001 0.000 0.314 74 A C -0.341 177.264 177.584 0.035 0.000 1.257 74 A CA -0.546 51.510 52.037 0.032 0.000 0.871 74 A CB 1.010 20.036 19.000 0.043 0.000 1.166 74 A HN 0.826 nan 8.150 nan 0.000 0.522 75 Q N 2.245 122.071 119.800 0.044 0.000 2.421 75 Q HA 0.602 4.942 4.340 -0.001 0.000 0.242 75 Q C -0.579 175.453 176.000 0.055 0.000 1.024 75 Q CA -0.181 55.649 55.803 0.045 0.000 0.891 75 Q CB 0.666 29.430 28.738 0.044 0.000 1.222 75 Q HN 0.963 nan 8.270 nan 0.000 0.483 76 A N 3.373 126.230 122.820 0.060 0.000 2.587 76 A HA 0.491 4.811 4.320 -0.001 0.000 0.293 76 A C -1.143 176.488 177.584 0.078 0.000 1.087 76 A CA -0.866 51.215 52.037 0.072 0.000 0.692 76 A CB 1.630 20.680 19.000 0.084 0.000 1.291 76 A HN 0.633 nan 8.150 nan 0.000 0.407 77 Q N 0.586 120.435 119.800 0.082 0.000 2.474 77 Q HA 0.166 4.505 4.340 -0.001 0.000 0.256 77 Q C 0.608 176.669 176.000 0.101 0.000 1.048 77 Q CA 0.290 56.145 55.803 0.087 0.000 0.922 77 Q CB 0.538 29.329 28.738 0.087 0.000 1.288 77 Q HN 0.738 nan 8.270 nan 0.000 0.484 78 S N 0.166 115.927 115.700 0.101 0.000 2.563 78 S HA 0.140 4.609 4.470 -0.001 0.000 0.294 78 S C 0.407 175.083 174.600 0.127 0.000 1.279 78 S CA 0.133 58.399 58.200 0.110 0.000 1.069 78 S CB 0.058 63.320 63.200 0.104 0.000 0.828 78 S HN 0.603 nan 8.310 nan 0.000 0.497 79 G N 3.483 112.368 108.800 0.142 0.000 2.647 79 G HA2 0.304 4.264 3.960 -0.001 0.000 0.234 79 G HA3 0.304 4.264 3.960 -0.001 0.000 0.234 79 G C 0.610 175.605 174.900 0.159 0.000 1.252 79 G CA 0.125 45.322 45.100 0.162 0.000 0.846 79 G HN 0.770 nan 8.290 nan 0.000 0.589 80 T N -0.131 114.536 114.554 0.189 0.000 3.434 80 T HA 0.227 4.576 4.350 -0.001 0.000 0.279 80 T C 1.547 176.419 174.700 0.287 0.000 0.955 80 T CA 0.669 62.896 62.100 0.212 0.000 1.048 80 T CB 0.580 69.608 68.868 0.265 0.000 1.186 80 T HN 0.863 nan 8.240 nan 0.000 0.485 81 G N 0.603 109.596 108.800 0.322 0.000 3.581 81 G HA2 0.179 4.139 3.960 -0.001 0.000 0.248 81 G HA3 0.179 4.139 3.960 -0.001 0.000 0.248 81 G C 1.095 176.092 174.900 0.161 0.000 1.037 81 G CA -0.022 45.293 45.100 0.358 0.000 0.902 81 G HN 0.189 nan 8.290 nan 0.000 0.512 82 K N 0.963 121.459 120.400 0.160 0.000 2.062 82 K HA -0.050 4.270 4.320 -0.001 0.000 0.205 82 K C 2.157 178.827 176.600 0.115 0.000 1.051 82 K CA 1.641 58.019 56.287 0.151 0.000 0.941 82 K CB -0.371 32.237 32.500 0.180 0.000 0.719 82 K HN 0.179 nan 8.250 nan 0.000 0.440 83 T N 1.270 115.863 114.554 0.065 0.000 2.708 83 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 83 T C 1.940 176.305 174.700 -0.559 0.000 1.037 83 T CA 1.542 63.509 62.100 -0.223 0.000 1.146 83 T CB -0.368 68.466 68.868 -0.057 0.000 0.865 83 T HN 0.378 nan 8.240 nan 0.000 0.435 84 A N 1.209 123.905 122.820 -0.206 0.000 2.084 84 A HA -0.149 4.171 4.320 -0.001 0.000 0.221 84 A C 2.440 179.842 177.584 -0.303 0.000 1.161 84 A CA 1.980 53.877 52.037 -0.234 0.000 0.653 84 A CB -1.147 17.797 19.000 -0.094 0.000 0.802 84 A HN 0.505 nan 8.150 nan 0.000 0.457 85 T N 0.204 114.615 114.554 -0.239 0.000 2.643 85 T HA -0.073 4.276 4.350 -0.001 0.000 0.256 85 T C 1.599 176.239 174.700 -0.100 0.000 1.061 85 T CA 1.669 63.705 62.100 -0.107 0.000 1.163 85 T CB -0.630 68.255 68.868 0.029 0.000 0.865 85 T HN 0.748 nan 8.240 nan 0.000 0.407 86 F N 2.178 122.119 119.950 -0.016 0.000 2.216 86 F HA 0.179 4.706 4.527 -0.001 0.000 0.300 86 F C 2.513 178.296 175.800 -0.029 0.000 1.085 86 F CA 0.371 58.355 58.000 -0.025 0.000 1.326 86 F CB -1.249 37.732 39.000 -0.032 0.000 1.027 86 F HN 0.137 nan 8.300 nan 0.000 0.497 87 A N 1.822 124.264 122.820 -0.630 0.000 1.892 87 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 87 A C 2.395 179.871 177.584 -0.181 0.000 1.188 87 A CA 2.191 54.011 52.037 -0.361 0.000 0.631 87 A CB -1.291 17.437 19.000 -0.454 0.000 0.822 87 A HN 0.556 nan 8.150 nan 0.000 0.447 88 I N 0.506 120.965 120.570 -0.184 0.000 2.394 88 I HA -0.206 3.963 4.170 -0.001 0.000 0.251 88 I C 2.510 178.593 176.117 -0.057 0.000 1.136 88 I CA 1.564 62.790 61.300 -0.123 0.000 1.425 88 I CB -0.141 37.787 38.000 -0.120 0.000 1.079 88 I HN 0.501 nan 8.210 nan 0.000 0.425 89 S N 0.943 116.628 115.700 -0.025 0.000 2.458 89 S HA 0.031 4.501 4.470 -0.001 0.000 0.223 89 S C 1.915 176.524 174.600 0.016 0.000 1.019 89 S CA 0.157 58.361 58.200 0.006 0.000 0.937 89 S CB -0.395 62.820 63.200 0.024 0.000 0.788 89 S HN 0.462 nan 8.310 nan 0.000 0.511 90 I N 0.328 120.918 120.570 0.035 0.000 2.394 90 I HA -0.026 4.143 4.170 -0.001 0.000 0.251 90 I C 2.146 178.271 176.117 0.014 0.000 1.136 90 I CA 1.093 62.418 61.300 0.042 0.000 1.425 90 I CB -0.870 37.178 38.000 0.080 0.000 1.079 90 I HN 0.228 nan 8.210 nan 0.000 0.425 91 L N 0.797 122.016 121.223 -0.006 0.000 2.179 91 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 91 L C 2.686 179.545 176.870 -0.018 0.000 1.096 91 L CA 0.963 55.795 54.840 -0.013 0.000 0.779 91 L CB -0.413 41.628 42.059 -0.031 0.000 0.922 91 L HN 0.276 nan 8.230 nan 0.000 0.443 92 Q N 0.148 119.937 119.800 -0.018 0.000 2.437 92 Q HA -0.192 4.148 4.340 -0.001 0.000 0.210 92 Q C 1.760 177.751 176.000 -0.016 0.000 0.972 92 Q CA 1.453 57.247 55.803 -0.015 0.000 0.903 92 Q CB 0.099 28.831 28.738 -0.009 0.000 0.967 92 Q HN 0.465 nan 8.270 nan 0.000 0.486 93 Q N -0.894 118.896 119.800 -0.016 0.000 2.246 93 Q HA 0.194 4.534 4.340 -0.001 0.000 0.222 93 Q C -0.304 175.677 176.000 -0.032 0.000 0.851 93 Q CA -0.461 55.330 55.803 -0.020 0.000 0.945 93 Q CB 0.776 29.508 28.738 -0.011 0.000 1.122 93 Q HN 0.307 nan 8.270 nan 0.000 0.508 94 I N 2.089 122.631 120.570 -0.046 0.000 2.813 94 I HA -0.068 4.102 4.170 -0.001 0.000 0.287 94 I C 0.523 176.563 176.117 -0.128 0.000 1.196 94 I CA 0.813 62.054 61.300 -0.099 0.000 1.421 94 I CB 0.495 38.414 38.000 -0.134 0.000 1.365 94 I HN 0.102 nan 8.210 nan 0.000 0.591 95 E N 6.320 126.420 120.200 -0.167 0.000 1.998 95 E HA 0.151 4.501 4.350 -0.001 0.000 0.257 95 E C 1.083 177.545 176.600 -0.230 0.000 1.038 95 E CA -0.250 56.066 56.400 -0.140 0.000 0.869 95 E CB 0.720 30.377 29.700 -0.072 0.000 1.135 95 E HN 0.473 nan 8.360 nan 0.000 0.430 96 L N 2.177 123.288 121.223 -0.186 0.000 2.021 96 L HA -0.294 4.046 4.340 -0.001 0.000 0.215 96 L C 2.342 179.177 176.870 -0.059 0.000 1.074 96 L CA 1.643 56.394 54.840 -0.149 0.000 0.760 96 L CB -0.508 41.534 42.059 -0.028 0.000 0.889 96 L HN 0.569 nan 8.230 nan 0.000 0.433 97 D N 0.606 120.988 120.400 -0.031 0.000 2.221 97 D HA -0.209 4.431 4.640 -0.001 0.000 0.204 97 D C 0.973 177.285 176.300 0.020 0.000 0.982 97 D CA 0.755 54.759 54.000 0.006 0.000 0.857 97 D CB -0.071 40.732 40.800 0.004 0.000 0.934 97 D HN 0.289 nan 8.370 nan 0.000 0.475 98 L N 0.641 121.862 121.223 -0.003 0.000 2.257 98 L HA 0.261 4.601 4.340 -0.001 0.000 0.290 98 L C 0.044 176.955 176.870 0.069 0.000 1.044 98 L CA -0.654 54.200 54.840 0.023 0.000 0.810 98 L CB 0.880 42.960 42.059 0.036 0.000 1.193 98 L HN -0.282 nan 8.230 nan 0.000 0.425 99 K N 5.277 125.714 120.400 0.061 0.000 2.222 99 K HA 0.590 4.909 4.320 -0.001 0.000 0.243 99 K C -1.053 175.538 176.600 -0.014 0.000 1.160 99 K CA -0.039 56.299 56.287 0.085 0.000 1.090 99 K CB 0.206 32.714 32.500 0.014 0.000 1.694 99 K HN 0.749 nan 8.250 nan 0.000 0.361 100 A N 1.122 123.963 122.820 0.035 0.000 2.594 100 A HA 0.201 4.521 4.320 -0.001 0.000 0.296 100 A C -0.695 176.908 177.584 0.032 0.000 1.056 100 A CA -0.770 51.208 52.037 -0.098 0.000 0.693 100 A CB 1.303 20.058 19.000 -0.409 0.000 1.278 100 A HN 0.346 nan 8.150 nan 0.000 0.408 101 T N 0.407 114.972 114.554 0.018 0.000 2.779 101 T HA 0.392 4.741 4.350 -0.001 0.000 0.296 101 T C 0.570 175.335 174.700 0.108 0.000 0.938 101 T CA 0.563 62.712 62.100 0.080 0.000 1.119 101 T CB 0.231 69.128 68.868 0.047 0.000 0.891 101 T HN 0.597 nan 8.240 nan 0.000 0.526 102 Q N 3.066 122.939 119.800 0.122 0.000 2.391 102 Q HA 0.406 4.746 4.340 -0.001 0.000 0.243 102 Q C 0.483 176.534 176.000 0.085 0.000 0.874 102 Q CA -0.118 55.750 55.803 0.107 0.000 0.950 102 Q CB 0.876 29.657 28.738 0.073 0.000 1.103 102 Q HN 0.789 nan 8.270 nan 0.000 0.544 103 A N 1.162 124.036 122.820 0.090 0.000 2.371 103 A HA 0.626 4.946 4.320 -0.001 0.000 0.311 103 A C -1.657 175.985 177.584 0.097 0.000 1.068 103 A CA -0.537 51.553 52.037 0.089 0.000 0.744 103 A CB 1.276 20.326 19.000 0.083 0.000 1.239 103 A HN 0.146 nan 8.150 nan 0.000 0.435 104 L N 3.368 124.661 121.223 0.116 0.000 2.325 104 L HA 0.759 5.098 4.340 -0.001 0.000 0.281 104 L C -0.751 176.180 176.870 0.102 0.000 1.004 104 L CA -0.565 54.350 54.840 0.126 0.000 0.823 104 L CB 1.597 43.752 42.059 0.160 0.000 1.236 104 L HN 0.847 nan 8.230 nan 0.000 0.415 105 V N 6.410 126.345 119.914 0.035 0.000 2.604 105 V HA 0.671 4.791 4.120 -0.001 0.000 0.305 105 V C -1.590 174.445 176.094 -0.098 0.000 1.043 105 V CA -0.571 61.688 62.300 -0.069 0.000 0.888 105 V CB 1.965 33.773 31.823 -0.024 0.000 0.995 105 V HN 0.671 nan 8.190 nan 0.000 0.429 106 L N 6.369 127.466 121.223 -0.211 0.000 2.305 106 L HA 0.948 5.287 4.340 -0.001 0.000 0.284 106 L C 0.326 177.091 176.870 -0.176 0.000 1.013 106 L CA 0.077 54.800 54.840 -0.195 0.000 0.819 106 L CB 1.084 42.986 42.059 -0.261 0.000 1.227 106 L HN 1.042 nan 8.230 nan 0.000 0.417 107 A N 5.632 128.387 122.820 -0.110 0.000 2.435 107 A HA 0.929 5.249 4.320 -0.001 0.000 0.296 107 A C -2.236 175.347 177.584 -0.001 0.000 1.147 107 A CA -1.082 50.926 52.037 -0.049 0.000 0.775 107 A CB 1.476 20.474 19.000 -0.005 0.000 1.340 107 A HN 0.538 nan 8.150 nan 0.000 0.427 108 P HA 0.099 nan 4.420 nan 0.000 0.245 108 P C 0.263 177.697 177.300 0.223 0.000 1.203 108 P CA 0.972 64.188 63.100 0.192 0.000 0.792 108 P CB 0.219 32.004 31.700 0.141 0.000 0.997 109 T N -4.200 110.431 114.554 0.129 0.000 2.883 109 T HA 0.427 4.777 4.350 -0.001 0.000 0.301 109 T C 1.008 175.750 174.700 0.070 0.000 1.158 109 T CA -0.893 61.273 62.100 0.109 0.000 1.007 109 T CB 2.103 71.016 68.868 0.074 0.000 1.186 109 T HN -0.231 nan 8.240 nan 0.000 0.499 110 R N 0.230 120.766 120.500 0.060 0.000 2.083 110 R HA -0.095 4.244 4.340 -0.001 0.000 0.237 110 R C 2.135 178.446 176.300 0.018 0.000 1.137 110 R CA 1.359 57.477 56.100 0.030 0.000 0.951 110 R CB -0.283 30.032 30.300 0.025 0.000 0.851 110 R HN 0.642 nan 8.270 nan 0.000 0.434 111 E N 0.923 121.137 120.200 0.024 0.000 2.114 111 E HA -0.224 4.126 4.350 -0.001 0.000 0.199 111 E C 1.943 178.556 176.600 0.021 0.000 1.008 111 E CA 1.254 57.665 56.400 0.019 0.000 0.810 111 E CB -0.142 29.572 29.700 0.023 0.000 0.739 111 E HN 0.280 nan 8.360 nan 0.000 0.456 112 L N -0.548 120.694 121.223 0.032 0.000 2.249 112 L HA 0.056 4.396 4.340 -0.001 0.000 0.207 112 L C 2.191 179.084 176.870 0.039 0.000 1.090 112 L CA 0.930 55.794 54.840 0.041 0.000 0.802 112 L CB -0.132 41.958 42.059 0.052 0.000 0.947 112 L HN 0.035 nan 8.230 nan 0.000 0.453 113 A N -0.611 122.222 122.820 0.023 0.000 1.933 113 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 113 A C 2.145 179.727 177.584 -0.003 0.000 1.175 113 A CA 1.801 53.844 52.037 0.010 0.000 0.628 113 A CB -0.528 18.464 19.000 -0.013 0.000 0.814 113 A HN 0.511 nan 8.150 nan 0.000 0.444 114 Q N -0.372 119.420 119.800 -0.014 0.000 2.170 114 Q HA -0.204 4.136 4.340 -0.001 0.000 0.203 114 Q C 2.043 178.036 176.000 -0.012 0.000 0.976 114 Q CA 2.086 57.871 55.803 -0.029 0.000 0.858 114 Q CB -0.249 28.473 28.738 -0.026 0.000 0.907 114 Q HN 0.772 nan 8.270 nan 0.000 0.433 115 Q N -0.711 119.094 119.800 0.009 0.000 2.187 115 Q HA -0.004 4.336 4.340 -0.001 0.000 0.199 115 Q C 1.903 177.912 176.000 0.015 0.000 0.957 115 Q CA 0.957 56.769 55.803 0.014 0.000 0.857 115 Q CB 0.090 28.844 28.738 0.027 0.000 0.929 115 Q HN 0.408 nan 8.270 nan 0.000 0.453 116 I N 1.088 121.679 120.570 0.036 0.000 2.163 116 I HA -0.353 3.817 4.170 -0.001 0.000 0.243 116 I C 2.483 178.602 176.117 0.003 0.000 1.085 116 I CA 1.684 63.014 61.300 0.049 0.000 1.347 116 I CB -0.156 37.925 38.000 0.135 0.000 1.044 116 I HN 0.277 nan 8.210 nan 0.000 0.408 117 Q N 1.052 120.851 119.800 -0.003 0.000 2.297 117 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 117 Q C 1.783 177.763 176.000 -0.032 0.000 0.962 117 Q CA 1.397 57.189 55.803 -0.019 0.000 0.879 117 Q CB -0.325 28.392 28.738 -0.035 0.000 0.947 117 Q HN 0.354 nan 8.270 nan 0.000 0.462 118 K N 0.003 120.386 120.400 -0.028 0.000 2.103 118 K HA -0.003 4.316 4.320 -0.001 0.000 0.204 118 K C 1.975 178.543 176.600 -0.052 0.000 1.052 118 K CA 1.170 57.442 56.287 -0.025 0.000 0.945 118 K CB -0.040 32.457 32.500 -0.006 0.000 0.722 118 K HN 0.060 nan 8.250 nan 0.000 0.443 119 V N 1.124 120.992 119.914 -0.076 0.000 2.407 119 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 119 V C 2.193 178.151 176.094 -0.226 0.000 1.055 119 V CA 1.361 63.550 62.300 -0.186 0.000 1.049 119 V CB -0.113 31.605 31.823 -0.176 0.000 0.662 119 V HN 0.087 nan 8.190 nan 0.000 0.455 120 V N -0.697 119.131 119.914 -0.143 0.000 2.244 120 V HA -0.271 3.849 4.120 -0.001 0.000 0.244 120 V C 2.518 178.552 176.094 -0.101 0.000 1.042 120 V CA 1.916 64.144 62.300 -0.120 0.000 1.006 120 V CB -0.574 31.214 31.823 -0.057 0.000 0.641 120 V HN 0.395 nan 8.190 nan 0.000 0.446 121 M N -0.041 119.516 119.600 -0.071 0.000 2.192 121 M HA -0.213 4.266 4.480 -0.001 0.000 0.259 121 M C 2.280 178.529 176.300 -0.086 0.000 1.071 121 M CA 2.248 57.510 55.300 -0.062 0.000 1.082 121 M CB -1.684 30.889 32.600 -0.044 0.000 1.373 121 M HN 0.437 nan 8.290 nan 0.000 0.408 122 A N 0.043 122.797 122.820 -0.111 0.000 1.855 122 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 122 A C 2.300 179.811 177.584 -0.122 0.000 1.191 122 A CA 1.279 53.257 52.037 -0.098 0.000 0.613 122 A CB -0.781 18.145 19.000 -0.123 0.000 0.829 122 A HN 0.480 nan 8.150 nan 0.000 0.442 123 L N -0.831 120.269 121.223 -0.204 0.000 2.179 123 L HA 0.029 4.368 4.340 -0.001 0.000 0.208 123 L C 2.413 179.239 176.870 -0.073 0.000 1.096 123 L CA 0.755 55.504 54.840 -0.152 0.000 0.779 123 L CB -0.414 41.511 42.059 -0.224 0.000 0.922 123 L HN 0.463 nan 8.230 nan 0.000 0.443 124 G N -0.999 107.752 108.800 -0.082 0.000 3.124 124 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.212 124 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.212 124 G C 0.956 175.828 174.900 -0.047 0.000 1.181 124 G CA 0.213 45.289 45.100 -0.041 0.000 0.803 124 G HN 0.281 nan 8.290 nan 0.000 0.529 125 D N 0.222 120.556 120.400 -0.109 0.000 2.144 125 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 125 D C 1.368 177.496 176.300 -0.287 0.000 0.978 125 D CA 0.821 54.667 54.000 -0.257 0.000 0.833 125 D CB -0.070 40.469 40.800 -0.435 0.000 0.961 125 D HN 0.444 nan 8.370 nan 0.000 0.470 126 Y N -0.435 119.868 120.300 0.005 0.000 2.466 126 Y HA 0.284 4.833 4.550 -0.001 0.000 0.272 126 Y C 0.569 176.474 175.900 0.010 0.000 1.169 126 Y CA -0.243 57.864 58.100 0.011 0.000 1.285 126 Y CB -0.202 38.267 38.460 0.015 0.000 1.078 126 Y HN -0.057 nan 8.280 nan 0.000 0.523 127 M N -1.328 118.337 119.600 0.109 0.000 2.528 127 M HA 0.497 4.977 4.480 -0.001 0.000 0.318 127 M C 1.400 177.732 176.300 0.054 0.000 1.195 127 M CA -0.428 54.916 55.300 0.073 0.000 1.000 127 M CB 0.919 33.552 32.600 0.055 0.000 1.615 127 M HN 0.066 nan 8.290 nan 0.000 0.469 128 G N 0.850 109.688 108.800 0.063 0.000 2.916 128 G HA2 0.258 4.218 3.960 -0.001 0.000 0.205 128 G HA3 0.258 4.218 3.960 -0.001 0.000 0.205 128 G C 0.535 175.502 174.900 0.111 0.000 1.163 128 G CA 0.014 45.157 45.100 0.072 0.000 0.821 128 G HN 0.901 nan 8.290 nan 0.000 0.515 129 A N 0.375 123.263 122.820 0.113 0.000 2.561 129 A HA 0.452 4.772 4.320 -0.001 0.000 0.234 129 A C 0.858 178.505 177.584 0.105 0.000 1.055 129 A CA 0.736 52.887 52.037 0.190 0.000 0.756 129 A CB 0.261 19.326 19.000 0.108 0.000 0.986 129 A HN 0.849 nan 8.150 nan 0.000 0.505 130 S N 1.436 117.188 115.700 0.086 0.000 2.596 130 S HA 0.515 4.985 4.470 -0.001 0.000 0.318 130 S C -0.734 173.842 174.600 -0.040 0.000 1.097 130 S CA -0.444 57.681 58.200 -0.125 0.000 1.080 130 S CB 0.695 63.602 63.200 -0.488 0.000 0.991 130 S HN 1.487 nan 8.310 nan 0.000 0.471 131 C N 4.538 123.840 119.300 0.003 0.000 2.626 131 C HA 0.844 5.303 4.460 -0.001 0.000 0.310 131 C C -1.243 173.806 174.990 0.098 0.000 1.191 131 C CA -0.289 58.759 59.018 0.049 0.000 1.517 131 C CB 0.782 28.543 27.740 0.036 0.000 2.102 131 C HN 1.145 nan 8.230 nan 0.000 0.479 132 H N 2.488 121.550 119.070 -0.014 0.000 2.947 132 H HA 0.684 5.239 4.556 -0.001 0.000 0.354 132 H C -0.491 174.835 175.328 -0.003 0.000 1.085 132 H CA 0.557 56.595 56.048 -0.016 0.000 1.253 132 H CB 1.738 31.483 29.762 -0.028 0.000 1.757 132 H HN 1.047 nan 8.280 nan 0.000 0.523 133 A N 2.989 125.473 122.820 -0.560 0.000 2.281 133 A HA 0.658 4.978 4.320 -0.001 0.000 0.329 133 A C -0.581 176.690 177.584 -0.523 0.000 1.122 133 A CA -0.466 51.345 52.037 -0.376 0.000 0.850 133 A CB 0.663 19.530 19.000 -0.221 0.000 1.207 133 A HN 0.765 nan 8.150 nan 0.000 0.495 134 C N -0.053 119.127 119.300 -0.199 0.000 2.529 134 C HA 0.914 5.373 4.460 -0.001 0.000 0.329 134 C C -0.271 174.699 174.990 -0.034 0.000 1.194 134 C CA -0.105 58.866 59.018 -0.077 0.000 1.779 134 C CB 0.030 27.780 27.740 0.016 0.000 2.322 134 C HN 0.732 nan 8.230 nan 0.000 0.500 135 I N -0.296 120.281 120.570 0.011 0.000 2.600 135 I HA 0.557 4.726 4.170 -0.001 0.000 0.309 135 I C 0.204 176.338 176.117 0.027 0.000 1.966 135 I CA -0.303 61.006 61.300 0.016 0.000 0.925 135 I CB 1.043 39.041 38.000 -0.003 0.000 1.481 135 I HN 0.889 nan 8.210 nan 0.000 0.652 136 G N 0.905 109.719 108.800 0.024 0.000 2.186 136 G HA2 0.372 4.332 3.960 -0.001 0.000 0.130 136 G HA3 0.372 4.332 3.960 -0.001 0.000 0.130 136 G C 0.401 175.309 174.900 0.014 0.000 1.031 136 G CA -0.106 45.006 45.100 0.020 0.000 0.697 136 G HN 1.994 nan 8.290 nan 0.000 0.494 137 G N -1.638 107.170 108.800 0.014 0.000 4.106 137 G HA2 0.255 4.215 3.960 -0.001 0.000 0.220 137 G HA3 0.255 4.215 3.960 -0.001 0.000 0.220 137 G C 0.954 175.860 174.900 0.010 0.000 0.853 137 G CA 1.508 46.618 45.100 0.016 0.000 0.920 137 G HN 1.454 nan 8.290 nan 0.000 0.715 138 T N 1.159 115.718 114.554 0.008 0.000 2.746 138 T HA -0.036 4.314 4.350 -0.001 0.000 0.267 138 T C 1.071 175.770 174.700 -0.001 0.000 1.039 138 T CA 1.775 63.878 62.100 0.004 0.000 1.142 138 T CB -0.382 68.488 68.868 0.003 0.000 0.866 138 T HN 0.491 nan 8.240 nan 0.000 0.444 139 N N 1.244 119.943 118.700 -0.001 0.000 2.918 139 N HA 0.272 5.012 4.740 -0.001 0.000 0.270 139 N C 0.533 176.037 175.510 -0.010 0.000 1.536 139 N CA -0.265 52.779 53.050 -0.009 0.000 0.877 139 N CB 1.649 40.130 38.487 -0.010 0.000 1.190 139 N HN 0.120 nan 8.380 nan 0.000 0.492 140 V N 1.558 121.465 119.914 -0.012 0.000 2.323 140 V HA -0.176 3.944 4.120 -0.001 0.000 0.244 140 V C 2.521 178.578 176.094 -0.061 0.000 1.041 140 V CA 1.333 63.620 62.300 -0.021 0.000 1.025 140 V CB -0.360 31.458 31.823 -0.009 0.000 0.656 140 V HN 0.538 nan 8.190 nan 0.000 0.451 141 R N 0.214 120.679 120.500 -0.058 0.000 2.189 141 R HA -0.312 4.028 4.340 -0.001 0.000 0.252 141 R C 2.261 178.503 176.300 -0.097 0.000 1.134 141 R CA 2.058 58.111 56.100 -0.079 0.000 0.954 141 R CB -0.756 29.514 30.300 -0.051 0.000 0.890 141 R HN 0.565 nan 8.270 nan 0.000 0.443 142 A N 0.458 123.236 122.820 -0.069 0.000 1.930 142 A HA -0.098 4.221 4.320 -0.001 0.000 0.215 142 A C 1.964 179.496 177.584 -0.087 0.000 1.176 142 A CA 0.736 52.730 52.037 -0.071 0.000 0.632 142 A CB -0.205 18.768 19.000 -0.045 0.000 0.819 142 A HN 0.283 nan 8.150 nan 0.000 0.445 143 E N -0.165 119.996 120.200 -0.065 0.000 2.085 143 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 143 E C 2.008 178.529 176.600 -0.133 0.000 0.994 143 E CA 1.475 57.842 56.400 -0.054 0.000 0.801 143 E CB -0.114 29.605 29.700 0.032 0.000 0.743 143 E HN 0.393 nan 8.360 nan 0.000 0.453 144 V N 0.640 120.433 119.914 -0.201 0.000 2.255 144 V HA -0.248 3.871 4.120 -0.001 0.000 0.243 144 V C 2.378 178.278 176.094 -0.323 0.000 1.038 144 V CA 1.777 63.851 62.300 -0.376 0.000 1.008 144 V CB -0.441 30.974 31.823 -0.679 0.000 0.645 144 V HN 0.244 nan 8.190 nan 0.000 0.449 145 Q N -0.426 119.222 119.800 -0.253 0.000 2.376 145 Q HA -0.234 4.105 4.340 -0.001 0.000 0.211 145 Q C 2.117 178.025 176.000 -0.153 0.000 0.986 145 Q CA 1.542 57.238 55.803 -0.178 0.000 0.886 145 Q CB -0.024 28.637 28.738 -0.129 0.000 0.927 145 Q HN 0.538 nan 8.270 nan 0.000 0.457 146 K N 0.090 120.385 120.400 -0.175 0.000 2.049 146 K HA -0.070 4.250 4.320 -0.001 0.000 0.214 146 K C 1.757 178.250 176.600 -0.179 0.000 1.026 146 K CA 0.680 56.855 56.287 -0.186 0.000 0.954 146 K CB -0.395 31.951 32.500 -0.257 0.000 0.838 146 K HN 0.209 nan 8.250 nan 0.000 0.450 147 L N 0.286 121.382 121.223 -0.212 0.000 2.486 147 L HA -0.294 4.045 4.340 -0.001 0.000 0.222 147 L C 1.078 177.907 176.870 -0.068 0.000 1.121 147 L CA 1.760 56.523 54.840 -0.128 0.000 0.856 147 L CB -0.404 41.618 42.059 -0.061 0.000 0.924 147 L HN 0.592 nan 8.230 nan 0.000 0.453 148 Q N 0.129 119.893 119.800 -0.059 0.000 2.605 148 Q HA 0.384 4.724 4.340 -0.001 0.000 0.228 148 Q C -1.848 174.129 176.000 -0.039 0.000 0.805 148 Q CA -0.363 55.424 55.803 -0.026 0.000 0.894 148 Q CB 1.341 30.104 28.738 0.043 0.000 1.469 148 Q HN 0.235 nan 8.270 nan 0.000 0.445 149 M N 1.963 121.529 119.600 -0.056 0.000 2.224 149 M HA 0.676 5.156 4.480 -0.001 0.000 0.281 149 M C -1.269 174.987 176.300 -0.074 0.000 1.025 149 M CA -0.373 54.890 55.300 -0.061 0.000 0.954 149 M CB 1.910 34.483 32.600 -0.046 0.000 1.639 149 M HN 0.416 nan 8.290 nan 0.000 0.461 150 E N 1.638 121.784 120.200 -0.089 0.000 2.429 150 E HA 0.928 5.278 4.350 -0.001 0.000 0.280 150 E C -1.071 175.455 176.600 -0.123 0.000 1.068 150 E CA -1.027 55.315 56.400 -0.096 0.000 0.837 150 E CB 1.508 31.158 29.700 -0.084 0.000 1.357 150 E HN 1.299 nan 8.360 nan 0.000 0.455 151 A N -0.224 122.518 122.820 -0.130 0.000 2.027 151 A HA 0.226 4.546 4.320 -0.001 0.000 0.230 151 A C -2.704 174.820 177.584 -0.099 0.000 2.881 151 A CA -0.765 51.212 52.037 -0.099 0.000 2.008 151 A CB -1.089 17.854 19.000 -0.095 0.000 0.227 151 A HN 0.371 nan 8.150 nan 0.000 0.868 152 P HA 0.003 nan 4.420 nan 0.000 0.266 152 P C 0.759 178.041 177.300 -0.031 0.000 1.180 152 P CA 0.793 63.817 63.100 -0.126 0.000 0.765 152 P CB 0.134 31.804 31.700 -0.051 0.000 0.806 153 H N 0.777 119.849 119.070 0.004 0.000 2.395 153 H HA 0.111 4.666 4.556 -0.001 0.000 0.299 153 H C 0.680 176.025 175.328 0.028 0.000 1.070 153 H CA 0.451 56.506 56.048 0.011 0.000 1.356 153 H CB 0.098 29.867 29.762 0.011 0.000 1.401 153 H HN 0.281 nan 8.280 nan 0.000 0.524 154 I N 1.927 122.594 120.570 0.161 0.000 2.447 154 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 154 I C -0.843 175.333 176.117 0.097 0.000 1.023 154 I CA -0.807 60.563 61.300 0.117 0.000 1.083 154 I CB 2.276 40.339 38.000 0.105 0.000 1.245 154 I HN 0.088 nan 8.210 nan 0.000 0.434 155 I N 5.238 125.862 120.570 0.091 0.000 2.509 155 I HA 0.806 4.976 4.170 -0.001 0.000 0.293 155 I C -1.007 175.147 176.117 0.061 0.000 1.020 155 I CA -0.710 60.644 61.300 0.089 0.000 1.088 155 I CB 1.987 40.047 38.000 0.100 0.000 1.267 155 I HN 0.192 nan 8.210 nan 0.000 0.430 156 V N 4.152 124.087 119.914 0.034 0.000 2.864 156 V HA 1.054 5.173 4.120 -0.001 0.000 0.314 156 V C 0.432 176.516 176.094 -0.017 0.000 1.073 156 V CA -0.179 62.127 62.300 0.011 0.000 0.956 156 V CB 1.077 32.907 31.823 0.012 0.000 1.023 156 V HN 1.247 nan 8.190 nan 0.000 0.435 157 G N 0.961 109.743 108.800 -0.029 0.000 2.328 157 G HA2 0.530 4.489 3.960 -0.001 0.000 0.295 157 G HA3 0.530 4.489 3.960 -0.001 0.000 0.295 157 G C -0.653 174.200 174.900 -0.078 0.000 1.413 157 G CA -0.036 45.040 45.100 -0.039 0.000 0.817 157 G HN 0.974 nan 8.290 nan 0.000 0.546 158 T N -0.804 113.696 114.554 -0.091 0.000 2.882 158 T HA 0.523 4.872 4.350 -0.001 0.000 0.287 158 T C -1.629 172.843 174.700 -0.380 0.000 1.014 158 T CA -1.110 60.855 62.100 -0.227 0.000 1.049 158 T CB 1.946 70.747 68.868 -0.112 0.000 1.001 158 T HN 0.132 nan 8.240 nan 0.000 0.525 159 P HA -0.019 nan 4.420 nan 0.000 0.218 159 P C 1.757 178.832 177.300 -0.375 0.000 1.148 159 P CA 1.226 63.970 63.100 -0.593 0.000 0.822 159 P CB -0.352 30.817 31.700 -0.885 0.000 0.784 160 G N -0.204 108.309 108.800 -0.478 0.000 2.434 160 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.214 160 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.214 160 G C 1.764 176.724 174.900 0.101 0.000 1.202 160 G CA 0.379 45.511 45.100 0.053 0.000 0.788 160 G HN 0.095 nan 8.290 nan 0.000 0.539 161 R N 0.096 120.626 120.500 0.050 0.000 2.115 161 R HA -0.114 4.225 4.340 -0.001 0.000 0.239 161 R C 2.780 179.108 176.300 0.047 0.000 1.133 161 R CA 1.554 57.687 56.100 0.055 0.000 0.935 161 R CB -1.180 29.140 30.300 0.034 0.000 0.853 161 R HN 0.301 nan 8.270 nan 0.000 0.433 162 V N 0.959 120.885 119.914 0.019 0.000 2.231 162 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 162 V C 2.191 178.312 176.094 0.045 0.000 1.054 162 V CA 2.209 64.526 62.300 0.028 0.000 1.015 162 V CB -0.750 31.080 31.823 0.013 0.000 0.638 162 V HN 0.279 nan 8.190 nan 0.000 0.444 163 F N 1.615 121.537 119.950 -0.048 0.000 2.250 163 F HA -0.211 4.316 4.527 -0.001 0.000 0.301 163 F C 1.931 177.721 175.800 -0.016 0.000 1.077 163 F CA 2.037 60.016 58.000 -0.035 0.000 1.348 163 F CB -0.368 38.618 39.000 -0.024 0.000 1.040 163 F HN 0.324 nan 8.300 nan 0.000 0.509 164 D N -0.920 119.428 120.400 -0.087 0.000 2.363 164 D HA -0.094 4.546 4.640 -0.001 0.000 0.220 164 D C 1.832 178.013 176.300 -0.198 0.000 0.994 164 D CA 0.878 54.776 54.000 -0.170 0.000 0.890 164 D CB 0.087 40.895 40.800 0.014 0.000 0.906 164 D HN 0.270 nan 8.370 nan 0.000 0.530 165 M N -0.743 118.766 119.600 -0.152 0.000 2.491 165 M HA 0.130 4.610 4.480 -0.001 0.000 0.259 165 M C 1.718 177.914 176.300 -0.173 0.000 1.163 165 M CA 0.185 55.441 55.300 -0.073 0.000 1.109 165 M CB 0.138 32.774 32.600 0.060 0.000 1.353 165 M HN 0.103 nan 8.290 nan 0.000 0.500 166 L N 0.324 121.414 121.223 -0.223 0.000 2.056 166 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 166 L C 1.949 178.626 176.870 -0.322 0.000 1.078 166 L CA 1.143 55.846 54.840 -0.228 0.000 0.749 166 L CB -0.777 41.174 42.059 -0.180 0.000 0.901 166 L HN 0.305 nan 8.230 nan 0.000 0.433 167 N N 0.018 118.421 118.700 -0.494 0.000 2.223 167 N HA -0.125 4.615 4.740 -0.001 0.000 0.185 167 N C 1.808 177.106 175.510 -0.354 0.000 1.016 167 N CA 1.054 53.838 53.050 -0.444 0.000 0.863 167 N CB 0.050 38.212 38.487 -0.542 0.000 0.983 167 N HN 0.174 nan 8.380 nan 0.000 0.429 168 R N -0.475 119.759 120.500 -0.442 0.000 2.254 168 R HA 0.245 4.585 4.340 -0.001 0.000 0.195 168 R C 0.068 175.950 176.300 -0.696 0.000 0.957 168 R CA 0.116 55.846 56.100 -0.616 0.000 1.024 168 R CB 0.379 30.119 30.300 -0.933 0.000 0.952 168 R HN 0.040 nan 8.270 nan 0.000 0.484 169 R N -1.633 118.575 120.500 -0.488 0.000 3.739 169 R HA -0.151 4.188 4.340 -0.001 0.000 0.338 169 R C -0.346 175.842 176.300 -0.186 0.000 1.151 169 R CA 0.298 56.228 56.100 -0.284 0.000 0.873 169 R CB -2.100 28.075 30.300 -0.209 0.000 1.455 169 R HN 0.219 nan 8.270 nan 0.000 0.502 170 Y N -0.716 119.549 120.300 -0.058 0.000 2.490 170 Y HA 0.336 4.885 4.550 -0.001 0.000 0.281 170 Y C 0.647 176.518 175.900 -0.049 0.000 1.174 170 Y CA -0.022 58.048 58.100 -0.051 0.000 1.295 170 Y CB 0.477 38.908 38.460 -0.047 0.000 1.062 170 Y HN 0.144 nan 8.280 nan 0.000 0.522 171 L N -0.755 120.497 121.223 0.048 0.000 2.438 171 L HA 0.517 4.856 4.340 -0.001 0.000 0.270 171 L C -0.493 176.374 176.870 -0.005 0.000 0.972 171 L CA -0.520 54.334 54.840 0.024 0.000 0.831 171 L CB 1.997 44.069 42.059 0.022 0.000 1.273 171 L HN -0.238 nan 8.230 nan 0.000 0.405 172 S N 4.814 120.519 115.700 0.008 0.000 2.442 172 S HA 0.571 5.041 4.470 -0.001 0.000 0.297 172 S C -1.841 172.784 174.600 0.042 0.000 1.131 172 S CA -1.380 56.834 58.200 0.023 0.000 1.092 172 S CB 1.186 64.412 63.200 0.043 0.000 0.998 172 S HN 0.588 nan 8.310 nan 0.000 0.478 173 P HA 0.040 nan 4.420 nan 0.000 0.231 173 P C 1.227 178.556 177.300 0.048 0.000 1.168 173 P CA 0.325 63.427 63.100 0.003 0.000 0.779 173 P CB 0.182 31.860 31.700 -0.037 0.000 0.844 174 K N -0.073 120.394 120.400 0.112 0.000 2.052 174 K HA -0.178 4.141 4.320 -0.001 0.000 0.215 174 K C 1.573 178.207 176.600 0.058 0.000 1.053 174 K CA 1.746 58.100 56.287 0.111 0.000 0.934 174 K CB -0.740 31.930 32.500 0.283 0.000 0.717 174 K HN 0.384 nan 8.250 nan 0.000 0.450 175 Y N -0.126 120.167 120.300 -0.011 0.000 2.485 175 Y HA 0.254 4.803 4.550 -0.001 0.000 0.260 175 Y C 0.596 176.493 175.900 -0.005 0.000 1.173 175 Y CA -0.737 57.360 58.100 -0.005 0.000 1.252 175 Y CB 0.390 38.853 38.460 0.004 0.000 1.123 175 Y HN -0.121 nan 8.280 nan 0.000 0.524 176 I N 3.030 123.667 120.570 0.112 0.000 2.436 176 I HA -0.003 4.167 4.170 -0.001 0.000 0.289 176 I C 0.970 177.102 176.117 0.025 0.000 1.083 176 I CA 0.498 61.832 61.300 0.058 0.000 1.372 176 I CB 0.791 38.796 38.000 0.010 0.000 1.408 176 I HN 0.289 nan 8.210 nan 0.000 0.516 177 K N 5.432 125.854 120.400 0.038 0.000 2.402 177 K HA 0.359 4.679 4.320 -0.001 0.000 0.204 177 K C 0.075 176.701 176.600 0.044 0.000 1.056 177 K CA -0.194 56.108 56.287 0.025 0.000 1.069 177 K CB 0.880 33.388 32.500 0.012 0.000 0.888 177 K HN 0.505 nan 8.250 nan 0.000 0.546 178 M N 1.727 121.368 119.600 0.068 0.000 2.165 178 M HA 0.347 4.827 4.480 -0.001 0.000 0.283 178 M C -2.064 174.323 176.300 0.145 0.000 0.978 178 M CA -0.951 54.400 55.300 0.086 0.000 0.948 178 M CB 2.078 34.717 32.600 0.065 0.000 1.599 178 M HN 0.108 nan 8.290 nan 0.000 0.450 179 F N 6.092 125.997 119.950 -0.074 0.000 2.430 179 F HA 0.642 5.169 4.527 -0.001 0.000 0.362 179 F C -1.684 174.015 175.800 -0.169 0.000 1.103 179 F CA -1.160 56.752 58.000 -0.147 0.000 1.045 179 F CB 1.032 39.904 39.000 -0.213 0.000 1.276 179 F HN 0.235 nan 8.300 nan 0.000 0.444 180 V N 7.897 127.586 119.914 -0.374 0.000 2.357 180 V HA 0.554 4.673 4.120 -0.001 0.000 0.284 180 V C -1.385 174.301 176.094 -0.680 0.000 1.018 180 V CA -0.621 61.376 62.300 -0.505 0.000 0.841 180 V CB 1.139 32.726 31.823 -0.394 0.000 0.991 180 V HN 0.535 nan 8.190 nan 0.000 0.437 181 L N 6.483 127.284 121.223 -0.702 0.000 2.261 181 L HA 0.551 4.891 4.340 -0.001 0.000 0.289 181 L C 0.010 176.633 176.870 -0.412 0.000 1.059 181 L CA 0.320 54.824 54.840 -0.559 0.000 0.816 181 L CB 0.798 42.564 42.059 -0.488 0.000 1.191 181 L HN 0.726 nan 8.230 nan 0.000 0.431 182 D N 2.694 122.867 120.400 -0.377 0.000 2.163 182 D HA 0.268 4.907 4.640 -0.001 0.000 0.248 182 D C -0.225 175.993 176.300 -0.138 0.000 1.035 182 D CA -0.237 53.579 54.000 -0.306 0.000 0.872 182 D CB 0.996 41.587 40.800 -0.348 0.000 1.183 182 D HN 0.551 nan 8.370 nan 0.000 0.445 183 E N 1.571 121.729 120.200 -0.069 0.000 2.183 183 E HA -0.290 4.059 4.350 -0.001 0.000 0.196 183 E C 0.535 177.132 176.600 -0.005 0.000 1.364 183 E CA 0.429 56.824 56.400 -0.008 0.000 0.700 183 E CB -1.682 28.032 29.700 0.024 0.000 1.106 183 E HN 0.481 nan 8.360 nan 0.000 0.347 184 A N 2.167 124.975 122.820 -0.021 0.000 1.908 184 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 184 A C 1.994 179.606 177.584 0.045 0.000 1.181 184 A CA 2.011 54.049 52.037 0.003 0.000 0.627 184 A CB -0.249 18.750 19.000 -0.001 0.000 0.818 184 A HN 0.617 nan 8.150 nan 0.000 0.445 185 D N -0.002 120.423 120.400 0.043 0.000 2.123 185 D HA -0.210 4.429 4.640 -0.001 0.000 0.196 185 D C 1.451 177.784 176.300 0.055 0.000 0.992 185 D CA 1.506 55.537 54.000 0.052 0.000 0.833 185 D CB -0.662 40.166 40.800 0.046 0.000 0.954 185 D HN 0.423 nan 8.370 nan 0.000 0.455 186 E N 0.570 120.803 120.200 0.055 0.000 2.023 186 E HA -0.123 4.226 4.350 -0.001 0.000 0.196 186 E C 2.428 179.080 176.600 0.086 0.000 1.003 186 E CA 0.820 57.257 56.400 0.061 0.000 0.809 186 E CB -0.500 29.237 29.700 0.062 0.000 0.755 186 E HN 0.441 nan 8.360 nan 0.000 0.449 187 M N 0.256 119.928 119.600 0.121 0.000 2.144 187 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 187 M C 2.461 178.891 176.300 0.217 0.000 1.067 187 M CA 1.272 56.715 55.300 0.238 0.000 1.095 187 M CB -0.341 32.376 32.600 0.195 0.000 1.365 187 M HN 0.072 nan 8.290 nan 0.000 0.406 188 L N -0.472 120.834 121.223 0.137 0.000 2.109 188 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 188 L C 2.712 179.618 176.870 0.060 0.000 1.086 188 L CA 1.469 56.383 54.840 0.123 0.000 0.760 188 L CB -0.431 41.694 42.059 0.109 0.000 0.910 188 L HN 0.409 nan 8.230 nan 0.000 0.437 189 S N -0.996 114.726 115.700 0.038 0.000 2.496 189 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 189 S C 1.830 176.401 174.600 -0.049 0.000 0.996 189 S CA -0.018 58.183 58.200 0.001 0.000 0.927 189 S CB -0.192 63.015 63.200 0.012 0.000 0.774 189 S HN 0.342 nan 8.310 nan 0.000 0.524 190 R N 0.999 121.450 120.500 -0.081 0.000 2.339 190 R HA 0.155 4.494 4.340 -0.001 0.000 0.199 190 R C 1.276 177.342 176.300 -0.391 0.000 1.018 190 R CA 0.510 56.477 56.100 -0.223 0.000 1.036 190 R CB -0.449 29.704 30.300 -0.245 0.000 0.899 190 R HN 0.650 nan 8.270 nan 0.000 0.473 191 G N 0.038 108.690 108.800 -0.248 0.000 2.131 191 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.201 191 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.201 191 G C 0.135 174.952 174.900 -0.139 0.000 1.000 191 G CA -0.540 44.439 45.100 -0.203 0.000 0.680 191 G HN 0.278 nan 8.290 nan 0.000 0.514 192 F N 0.718 120.678 119.950 0.016 0.000 2.664 192 F HA 0.322 4.849 4.527 -0.001 0.000 0.303 192 F C 2.125 177.944 175.800 0.032 0.000 1.092 192 F CA 0.117 58.128 58.000 0.019 0.000 1.305 192 F CB 0.357 39.371 39.000 0.024 0.000 1.054 192 F HN 0.309 nan 8.300 nan 0.000 0.565 193 K N 0.721 121.233 120.400 0.187 0.000 2.009 193 K HA -0.218 4.101 4.320 -0.001 0.000 0.210 193 K C 1.362 178.022 176.600 0.100 0.000 1.049 193 K CA 2.244 58.619 56.287 0.146 0.000 0.929 193 K CB -0.199 32.317 32.500 0.027 0.000 0.714 193 K HN 0.056 nan 8.250 nan 0.000 0.440 194 D N 0.789 121.191 120.400 0.004 0.000 2.126 194 D HA -0.192 4.448 4.640 -0.001 0.000 0.190 194 D C 2.100 178.384 176.300 -0.027 0.000 1.001 194 D CA 1.574 55.552 54.000 -0.036 0.000 0.841 194 D CB -0.337 40.433 40.800 -0.050 0.000 0.949 194 D HN 0.313 nan 8.370 nan 0.000 0.446 195 Q N -0.306 119.482 119.800 -0.020 0.000 2.364 195 Q HA 0.065 4.405 4.340 -0.001 0.000 0.207 195 Q C 2.205 178.154 176.000 -0.086 0.000 0.970 195 Q CA 0.318 56.017 55.803 -0.172 0.000 0.888 195 Q CB 0.018 28.732 28.738 -0.039 0.000 0.951 195 Q HN 0.400 nan 8.270 nan 0.000 0.469 196 I N -1.204 119.415 120.570 0.081 0.000 2.277 196 I HA -0.238 3.932 4.170 -0.001 0.000 0.243 196 I C 1.287 177.519 176.117 0.193 0.000 1.094 196 I CA 0.854 62.220 61.300 0.109 0.000 1.393 196 I CB -0.060 38.044 38.000 0.174 0.000 1.078 196 I HN 0.183 nan 8.210 nan 0.000 0.417 197 Y N 1.061 121.425 120.300 0.107 0.000 2.181 197 Y HA -0.272 4.278 4.550 -0.001 0.000 0.288 197 Y C 2.304 178.282 175.900 0.130 0.000 1.146 197 Y CA 1.198 59.435 58.100 0.229 0.000 1.164 197 Y CB -0.784 37.832 38.460 0.260 0.000 0.982 197 Y HN 0.203 nan 8.280 nan 0.000 0.515 198 D N -0.290 120.174 120.400 0.106 0.000 2.178 198 D HA -0.137 4.503 4.640 -0.001 0.000 0.202 198 D C 2.283 178.615 176.300 0.054 0.000 0.974 198 D CA 1.038 55.014 54.000 -0.039 0.000 0.841 198 D CB -0.344 40.143 40.800 -0.521 0.000 0.953 198 D HN 0.299 nan 8.370 nan 0.000 0.478 199 I N -0.090 120.487 120.570 0.012 0.000 2.142 199 I HA -0.272 3.897 4.170 -0.001 0.000 0.240 199 I C 2.016 178.034 176.117 -0.165 0.000 1.078 199 I CA 0.668 61.963 61.300 -0.009 0.000 1.343 199 I CB -0.230 37.706 38.000 -0.107 0.000 1.046 199 I HN -0.098 nan 8.210 nan 0.000 0.405 200 F N 1.554 121.324 119.950 -0.300 0.000 2.045 200 F HA -0.368 4.158 4.527 -0.001 0.000 0.297 200 F C 2.705 178.420 175.800 -0.141 0.000 1.114 200 F CA 2.410 60.175 58.000 -0.391 0.000 1.207 200 F CB -0.869 37.733 39.000 -0.663 0.000 0.964 200 F HN 0.258 nan 8.300 nan 0.000 0.486 201 Q N 0.250 120.185 119.800 0.225 0.000 2.557 201 Q HA -0.101 4.239 4.340 -0.001 0.000 0.217 201 Q C 1.146 177.207 176.000 0.102 0.000 0.978 201 Q CA 1.269 57.186 55.803 0.189 0.000 0.950 201 Q CB -0.345 28.507 28.738 0.191 0.000 0.991 201 Q HN 0.367 nan 8.270 nan 0.000 0.533 202 K N -0.312 120.114 120.400 0.044 0.000 2.367 202 K HA 0.252 4.572 4.320 -0.001 0.000 0.195 202 K C -0.160 176.411 176.600 -0.048 0.000 1.060 202 K CA -0.108 56.183 56.287 0.006 0.000 1.022 202 K CB 0.590 33.097 32.500 0.012 0.000 0.894 202 K HN 0.192 nan 8.250 nan 0.000 0.540 203 L N 1.826 122.987 121.223 -0.103 0.000 2.379 203 L HA 0.176 4.515 4.340 -0.001 0.000 0.269 203 L C -0.052 176.790 176.870 -0.047 0.000 1.084 203 L CA -0.899 53.860 54.840 -0.135 0.000 0.802 203 L CB 0.583 42.462 42.059 -0.300 0.000 1.175 203 L HN 0.002 nan 8.230 nan 0.000 0.448 204 N N -0.359 118.317 118.700 -0.040 0.000 2.374 204 N HA -0.034 4.706 4.740 -0.001 0.000 0.241 204 N C 0.664 176.186 175.510 0.020 0.000 1.262 204 N CA 0.214 53.257 53.050 -0.013 0.000 0.880 204 N CB 0.424 38.894 38.487 -0.029 0.000 1.105 204 N HN 0.632 nan 8.380 nan 0.000 0.438 205 S N -0.288 115.429 115.700 0.028 0.000 2.803 205 S HA 0.007 4.477 4.470 -0.001 0.000 0.226 205 S C 0.767 175.392 174.600 0.042 0.000 0.962 205 S CA 0.011 58.240 58.200 0.049 0.000 0.968 205 S CB -0.356 62.863 63.200 0.032 0.000 0.786 205 S HN 0.567 nan 8.310 nan 0.000 0.527 206 N N 0.939 119.657 118.700 0.029 0.000 2.227 206 N HA 0.077 4.816 4.740 -0.001 0.000 0.196 206 N C -0.577 174.953 175.510 0.033 0.000 1.142 206 N CA 0.229 53.291 53.050 0.020 0.000 0.887 206 N CB 0.623 39.106 38.487 -0.006 0.000 1.022 206 N HN 0.321 nan 8.380 nan 0.000 0.500 207 T N 1.132 115.717 114.554 0.051 0.000 2.907 207 T HA 0.052 4.401 4.350 -0.001 0.000 0.298 207 T C 0.270 175.032 174.700 0.103 0.000 1.017 207 T CA -0.074 62.062 62.100 0.061 0.000 1.118 207 T CB 1.770 70.665 68.868 0.044 0.000 0.948 207 T HN 0.129 nan 8.240 nan 0.000 0.531 208 Q N 1.951 121.802 119.800 0.086 0.000 2.299 208 Q HA 0.424 4.763 4.340 -0.001 0.000 0.246 208 Q C -1.390 174.687 176.000 0.128 0.000 0.935 208 Q CA -0.514 55.341 55.803 0.087 0.000 0.887 208 Q CB 0.692 29.455 28.738 0.041 0.000 1.223 208 Q HN 0.449 nan 8.270 nan 0.000 0.439 209 V N 4.407 124.398 119.914 0.128 0.000 2.444 209 V HA 0.371 4.491 4.120 -0.001 0.000 0.294 209 V C -0.661 175.444 176.094 0.018 0.000 1.022 209 V CA -0.711 61.660 62.300 0.118 0.000 0.850 209 V CB 1.763 33.739 31.823 0.255 0.000 0.992 209 V HN 0.622 nan 8.190 nan 0.000 0.426 210 V N 6.388 126.251 119.914 -0.084 0.000 2.495 210 V HA 0.553 4.673 4.120 -0.001 0.000 0.298 210 V C -0.431 175.543 176.094 -0.200 0.000 1.031 210 V CA -0.578 61.659 62.300 -0.106 0.000 0.871 210 V CB 1.866 33.638 31.823 -0.086 0.000 0.988 210 V HN 0.729 nan 8.190 nan 0.000 0.432 211 L N 6.456 127.601 121.223 -0.130 0.000 2.372 211 L HA 0.702 5.041 4.340 -0.001 0.000 0.273 211 L C -1.520 175.294 176.870 -0.094 0.000 0.989 211 L CA -0.361 54.395 54.840 -0.141 0.000 0.841 211 L CB 1.296 43.316 42.059 -0.064 0.000 1.225 211 L HN 0.513 nan 8.230 nan 0.000 0.414 212 L N 4.272 125.420 121.223 -0.125 0.000 2.325 212 L HA 0.775 5.115 4.340 -0.001 0.000 0.278 212 L C -0.012 176.836 176.870 -0.037 0.000 1.023 212 L CA -0.224 54.583 54.840 -0.056 0.000 0.811 212 L CB 1.852 43.883 42.059 -0.048 0.000 1.249 212 L HN 0.572 nan 8.230 nan 0.000 0.431 213 S N 0.012 115.714 115.700 0.004 0.000 2.543 213 S HA 0.664 5.134 4.470 -0.001 0.000 0.273 213 S C 0.548 175.170 174.600 0.037 0.000 1.152 213 S CA 0.075 58.285 58.200 0.018 0.000 0.910 213 S CB 1.558 64.770 63.200 0.019 0.000 1.105 213 S HN 0.772 nan 8.310 nan 0.000 0.465 214 A N 2.864 125.711 122.820 0.044 0.000 1.902 214 A HA 0.183 4.502 4.320 -0.001 0.000 0.217 214 A C 1.294 178.906 177.584 0.047 0.000 1.181 214 A CA 2.103 54.171 52.037 0.052 0.000 0.623 214 A CB -0.955 18.079 19.000 0.057 0.000 0.818 214 A HN 1.314 nan 8.150 nan 0.000 0.443 215 T N -4.936 109.644 114.554 0.044 0.000 2.916 215 T HA 0.645 4.994 4.350 -0.001 0.000 0.292 215 T C -0.443 174.281 174.700 0.040 0.000 1.064 215 T CA -0.767 61.358 62.100 0.041 0.000 1.011 215 T CB 1.469 70.361 68.868 0.041 0.000 1.152 215 T HN -0.033 nan 8.240 nan 0.000 0.510 216 M N 2.068 121.691 119.600 0.039 0.000 2.952 216 M HA 0.340 4.820 4.480 -0.001 0.000 0.259 216 M C -2.719 173.605 176.300 0.040 0.000 1.306 216 M CA -1.996 53.328 55.300 0.040 0.000 0.626 216 M CB 0.097 32.720 32.600 0.038 0.000 1.423 216 M HN 0.519 nan 8.290 nan 0.000 0.459 217 P HA 0.322 nan 4.420 nan 0.000 0.273 217 P C 0.834 178.160 177.300 0.044 0.000 1.250 217 P CA -0.078 63.046 63.100 0.040 0.000 0.793 217 P CB 0.526 32.250 31.700 0.040 0.000 1.011 218 S N 0.169 115.893 115.700 0.039 0.000 2.380 218 S HA -0.287 4.183 4.470 -0.001 0.000 0.229 218 S C 1.363 175.998 174.600 0.058 0.000 1.050 218 S CA 2.153 60.377 58.200 0.041 0.000 1.100 218 S CB -1.400 61.820 63.200 0.033 0.000 0.984 218 S HN 0.536 nan 8.310 nan 0.000 0.434 219 D N 0.955 121.393 120.400 0.063 0.000 2.204 219 D HA -0.133 4.506 4.640 -0.001 0.000 0.189 219 D C 1.987 178.360 176.300 0.121 0.000 1.006 219 D CA 1.438 55.491 54.000 0.089 0.000 0.855 219 D CB -0.764 40.083 40.800 0.079 0.000 0.946 219 D HN 0.229 nan 8.370 nan 0.000 0.448 220 V N 0.367 120.341 119.914 0.100 0.000 2.261 220 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 220 V C 2.568 178.724 176.094 0.103 0.000 1.047 220 V CA 1.101 63.465 62.300 0.106 0.000 1.015 220 V CB -0.430 31.438 31.823 0.075 0.000 0.642 220 V HN 0.283 nan 8.190 nan 0.000 0.446 221 L N -0.270 121.000 121.223 0.077 0.000 1.978 221 L HA -0.271 4.068 4.340 -0.001 0.000 0.218 221 L C 2.656 179.569 176.870 0.072 0.000 1.075 221 L CA 2.207 57.086 54.840 0.064 0.000 0.767 221 L CB -0.773 41.314 42.059 0.046 0.000 0.890 221 L HN 0.440 nan 8.230 nan 0.000 0.434 222 E N -0.450 119.799 120.200 0.082 0.000 2.331 222 E HA -0.176 4.174 4.350 -0.001 0.000 0.199 222 E C 2.086 178.753 176.600 0.111 0.000 1.008 222 E CA 0.809 57.256 56.400 0.079 0.000 0.843 222 E CB 0.207 29.961 29.700 0.090 0.000 0.761 222 E HN 0.317 nan 8.360 nan 0.000 0.507 223 V N 0.108 120.136 119.914 0.190 0.000 2.255 223 V HA -0.227 3.893 4.120 -0.001 0.000 0.243 223 V C 2.347 178.563 176.094 0.203 0.000 1.038 223 V CA 2.013 64.473 62.300 0.266 0.000 1.008 223 V CB -0.692 31.329 31.823 0.329 0.000 0.645 223 V HN 0.287 nan 8.190 nan 0.000 0.449 224 T N -0.391 114.257 114.554 0.157 0.000 2.653 224 T HA -0.351 3.998 4.350 -0.001 0.000 0.267 224 T C 1.944 176.664 174.700 0.033 0.000 1.037 224 T CA 2.408 64.573 62.100 0.108 0.000 1.159 224 T CB -0.303 68.609 68.868 0.074 0.000 0.859 224 T HN 0.303 nan 8.240 nan 0.000 0.449 225 K N 0.754 121.149 120.400 -0.008 0.000 2.283 225 K HA 0.037 4.356 4.320 -0.001 0.000 0.202 225 K C 1.643 178.135 176.600 -0.180 0.000 1.048 225 K CA 1.190 57.438 56.287 -0.065 0.000 0.948 225 K CB 0.136 32.610 32.500 -0.043 0.000 0.742 225 K HN 0.167 nan 8.250 nan 0.000 0.458 226 K N -1.243 118.956 120.400 -0.334 0.000 2.438 226 K HA 0.140 4.459 4.320 -0.001 0.000 0.205 226 K C -0.393 175.433 176.600 -1.291 0.000 1.033 226 K CA -0.016 55.831 56.287 -0.734 0.000 1.089 226 K CB 0.604 32.588 32.500 -0.860 0.000 0.857 226 K HN 0.060 nan 8.250 nan 0.000 0.522 227 F N -0.628 119.107 119.950 -0.357 0.000 3.021 227 F HA 0.314 4.841 4.527 -0.001 0.000 0.376 227 F C 0.179 175.911 175.800 -0.113 0.000 1.075 227 F CA -0.283 57.447 58.000 -0.451 0.000 1.073 227 F CB 0.589 38.950 39.000 -1.064 0.000 1.243 227 F HN -0.183 nan 8.300 nan 0.000 0.540 228 M N 0.590 120.224 119.600 0.057 0.000 2.456 228 M HA 0.451 4.930 4.480 -0.001 0.000 0.324 228 M C -0.307 176.016 176.300 0.038 0.000 1.124 228 M CA -0.469 54.885 55.300 0.090 0.000 0.959 228 M CB 2.587 35.246 32.600 0.097 0.000 1.692 228 M HN -0.186 nan 8.290 nan 0.000 0.444 229 R N 1.394 121.927 120.500 0.055 0.000 2.265 229 R HA 0.116 4.455 4.340 -0.001 0.000 0.314 229 R C -0.629 175.697 176.300 0.043 0.000 1.053 229 R CA -0.334 55.790 56.100 0.040 0.000 0.931 229 R CB 0.468 30.800 30.300 0.054 0.000 1.024 229 R HN 0.654 nan 8.270 nan 0.000 0.457 230 D N 2.869 123.286 120.400 0.028 0.000 2.813 230 D HA -0.136 4.504 4.640 -0.001 0.000 0.218 230 D C -2.080 174.234 176.300 0.024 0.000 1.240 230 D CA 0.628 54.644 54.000 0.026 0.000 0.644 230 D CB -0.418 40.405 40.800 0.039 0.000 0.966 230 D HN 0.356 nan 8.370 nan 0.000 0.398 231 P HA 0.195 nan 4.420 nan 0.000 0.276 231 P C 0.620 177.910 177.300 -0.017 0.000 1.244 231 P CA -0.502 62.608 63.100 0.017 0.000 0.801 231 P CB 0.832 32.549 31.700 0.028 0.000 1.006 232 I N 1.195 121.730 120.570 -0.059 0.000 2.472 232 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 232 I C 0.823 176.924 176.117 -0.027 0.000 1.016 232 I CA -0.753 60.497 61.300 -0.084 0.000 1.348 232 I CB 0.570 38.423 38.000 -0.245 0.000 1.417 232 I HN 0.192 nan 8.210 nan 0.000 0.521 233 R N 5.217 125.733 120.500 0.027 0.000 2.288 233 R HA 0.583 4.922 4.340 -0.001 0.000 0.326 233 R C -1.102 175.251 176.300 0.088 0.000 0.959 233 R CA -0.740 55.387 56.100 0.045 0.000 0.834 233 R CB 1.421 31.750 30.300 0.048 0.000 1.157 233 R HN 0.430 nan 8.270 nan 0.000 0.470 234 I N 2.913 123.528 120.570 0.076 0.000 2.428 234 I HA 0.085 4.255 4.170 -0.001 0.000 0.296 234 I C 0.859 177.026 176.117 0.083 0.000 0.985 234 I CA -0.216 61.153 61.300 0.115 0.000 1.260 234 I CB 1.497 39.569 38.000 0.120 0.000 1.389 234 I HN 0.532 nan 8.210 nan 0.000 0.484 235 L N 5.203 126.476 121.223 0.083 0.000 2.347 235 L HA 0.298 4.638 4.340 -0.001 0.000 0.196 235 L C 0.467 177.373 176.870 0.061 0.000 1.072 235 L CA 0.603 55.481 54.840 0.063 0.000 0.817 235 L CB 0.399 42.490 42.059 0.053 0.000 1.029 235 L HN 0.366 nan 8.230 nan 0.000 0.478 236 V N 2.785 122.736 119.914 0.062 0.000 5.842 236 V HA -0.249 3.870 4.120 -0.001 0.000 0.251 236 V C 0.777 176.902 176.094 0.052 0.000 0.667 236 V CA 0.801 63.136 62.300 0.058 0.000 0.844 236 V CB -1.624 30.239 31.823 0.067 0.000 0.924 236 V HN 0.621 nan 8.190 nan 0.000 0.443 237 K N 2.283 122.709 120.400 0.044 0.000 2.508 237 K HA -0.174 4.146 4.320 -0.001 0.000 0.262 237 K C 0.468 177.094 176.600 0.044 0.000 1.016 237 K CA 0.925 57.235 56.287 0.039 0.000 1.122 237 K CB 0.204 32.724 32.500 0.033 0.000 0.778 237 K HN 0.621 nan 8.250 nan 0.000 0.469 238 K N 3.629 124.055 120.400 0.043 0.000 2.276 238 K HA 0.069 4.388 4.320 -0.001 0.000 0.283 238 K C -0.670 175.956 176.600 0.043 0.000 1.044 238 K CA -0.206 56.109 56.287 0.047 0.000 0.944 238 K CB 0.907 33.434 32.500 0.046 0.000 1.012 238 K HN 0.382 nan 8.250 nan 0.000 0.472 239 E N 2.403 122.632 120.200 0.048 0.000 1.986 239 E HA 0.068 4.417 4.350 -0.001 0.000 0.264 239 E C -1.021 175.600 176.600 0.034 0.000 1.023 239 E CA -0.231 56.194 56.400 0.041 0.000 0.834 239 E CB 0.616 30.343 29.700 0.045 0.000 1.111 239 E HN 0.339 nan 8.360 nan 0.000 0.417 240 E N 2.802 123.018 120.200 0.027 0.000 2.366 240 E HA 0.039 4.389 4.350 -0.001 0.000 0.266 240 E C -0.015 176.588 176.600 0.004 0.000 1.015 240 E CA -0.223 56.189 56.400 0.020 0.000 0.906 240 E CB 0.650 30.363 29.700 0.023 0.000 0.979 240 E HN 0.365 nan 8.360 nan 0.000 0.443 241 L N 2.730 123.943 121.223 -0.016 0.000 2.506 241 L HA 0.052 4.392 4.340 -0.001 0.000 0.281 241 L C 0.537 177.385 176.870 -0.036 0.000 1.228 241 L CA 0.919 55.731 54.840 -0.046 0.000 0.850 241 L CB 0.452 42.447 42.059 -0.107 0.000 1.110 241 L HN 0.564 nan 8.230 nan 0.000 0.496 242 T N 2.842 117.367 114.554 -0.047 0.000 3.705 242 T HA 0.352 4.701 4.350 -0.001 0.000 0.342 242 T C -0.263 174.407 174.700 -0.050 0.000 1.043 242 T CA -0.647 61.434 62.100 -0.032 0.000 1.071 242 T CB 0.503 69.366 68.868 -0.008 0.000 1.124 242 T HN 0.359 nan 8.240 nan 0.000 0.467 243 L N 4.168 125.350 121.223 -0.068 0.000 2.511 243 L HA 0.454 4.793 4.340 -0.001 0.000 0.239 243 L C 1.468 178.323 176.870 -0.026 0.000 1.400 243 L CA 0.405 55.205 54.840 -0.066 0.000 1.226 243 L CB -0.594 41.418 42.059 -0.079 0.000 1.475 243 L HN 0.644 nan 8.230 nan 0.000 0.428 244 E N 0.990 121.179 120.200 -0.018 0.000 2.290 244 E HA 0.122 4.471 4.350 -0.001 0.000 0.199 244 E C 1.770 178.367 176.600 -0.005 0.000 0.912 244 E CA 0.494 56.891 56.400 -0.006 0.000 0.924 244 E CB 0.457 30.157 29.700 0.001 0.000 0.901 244 E HN 0.650 nan 8.360 nan 0.000 0.487 245 G N 0.864 109.661 108.800 -0.005 0.000 3.448 245 G HA2 0.251 4.211 3.960 -0.001 0.000 0.261 245 G HA3 0.251 4.211 3.960 -0.001 0.000 0.261 245 G C 0.038 174.940 174.900 0.004 0.000 1.173 245 G CA -0.109 44.992 45.100 0.002 0.000 0.835 245 G HN -0.065 nan 8.290 nan 0.000 0.534 246 I N 0.253 120.820 120.570 -0.005 0.000 2.418 246 I HA 0.365 4.535 4.170 -0.001 0.000 0.287 246 I C 0.038 176.150 176.117 -0.007 0.000 1.008 246 I CA -0.730 60.570 61.300 -0.001 0.000 1.104 246 I CB 2.148 40.135 38.000 -0.022 0.000 1.264 246 I HN -0.117 nan 8.210 nan 0.000 0.438 247 R N 5.435 125.946 120.500 0.019 0.000 2.298 247 R HA 0.368 4.707 4.340 -0.001 0.000 0.310 247 R C -0.695 175.555 176.300 -0.083 0.000 1.068 247 R CA -0.279 55.791 56.100 -0.048 0.000 0.957 247 R CB 0.582 30.934 30.300 0.086 0.000 1.003 247 R HN 0.546 nan 8.270 nan 0.000 0.454 248 Q N 3.188 122.835 119.800 -0.254 0.000 2.293 248 Q HA 0.400 4.739 4.340 -0.001 0.000 0.261 248 Q C -1.011 174.771 176.000 -0.364 0.000 0.960 248 Q CA -0.401 55.325 55.803 -0.127 0.000 0.882 248 Q CB 1.830 30.573 28.738 0.007 0.000 1.275 248 Q HN 0.372 nan 8.270 nan 0.000 0.445 249 F N 1.063 121.098 119.950 0.141 0.000 2.593 249 F HA 0.476 5.003 4.527 -0.001 0.000 0.320 249 F C -0.724 175.212 175.800 0.227 0.000 1.060 249 F CA -1.181 56.911 58.000 0.153 0.000 0.940 249 F CB 1.458 40.495 39.000 0.061 0.000 1.268 249 F HN 0.461 nan 8.300 nan 0.000 0.475 250 Y N 1.294 121.742 120.300 0.247 0.000 2.338 250 Y HA 0.770 5.320 4.550 -0.001 0.000 0.333 250 Y C -1.438 174.546 175.900 0.140 0.000 0.968 250 Y CA -1.538 56.658 58.100 0.161 0.000 1.123 250 Y CB 1.185 39.706 38.460 0.101 0.000 1.165 250 Y HN 0.510 nan 8.280 nan 0.000 0.452 251 I N 4.363 124.915 120.570 -0.031 0.000 2.353 251 I HA 0.356 4.525 4.170 -0.001 0.000 0.293 251 I C -0.836 175.258 176.117 -0.037 0.000 0.992 251 I CA -0.848 60.369 61.300 -0.138 0.000 1.268 251 I CB 0.906 38.864 38.000 -0.071 0.000 1.387 251 I HN 0.824 nan 8.210 nan 0.000 0.478 252 N N 6.680 125.338 118.700 -0.071 0.000 2.406 252 N HA 0.322 5.062 4.740 -0.001 0.000 0.251 252 N C -1.211 174.319 175.510 0.034 0.000 1.069 252 N CA -0.217 52.865 53.050 0.053 0.000 0.947 252 N CB 0.631 39.169 38.487 0.085 0.000 1.111 252 N HN 0.365 nan 8.380 nan 0.000 0.497 253 V N 1.070 121.023 119.914 0.065 0.000 2.349 253 V HA 0.405 4.525 4.120 -0.001 0.000 0.284 253 V C 1.035 177.205 176.094 0.126 0.000 1.014 253 V CA -0.705 61.643 62.300 0.080 0.000 0.826 253 V CB 1.233 33.101 31.823 0.076 0.000 1.009 253 V HN 0.503 nan 8.190 nan 0.000 0.431 254 E N 3.462 123.754 120.200 0.154 0.000 2.048 254 E HA -0.144 4.206 4.350 -0.001 0.000 0.202 254 E C 0.754 177.469 176.600 0.192 0.000 1.021 254 E CA 1.997 58.504 56.400 0.178 0.000 0.825 254 E CB 0.093 29.920 29.700 0.212 0.000 0.756 254 E HN 0.799 nan 8.360 nan 0.000 0.454 255 R N 0.083 120.763 120.500 0.300 0.000 2.720 255 R HA 0.239 4.578 4.340 -0.001 0.000 0.272 255 R C 0.792 177.152 176.300 0.101 0.000 0.991 255 R CA -0.365 55.821 56.100 0.143 0.000 1.010 255 R CB 0.829 31.138 30.300 0.015 0.000 1.141 255 R HN -0.010 nan 8.270 nan 0.000 0.494 256 E N 1.706 121.913 120.200 0.012 0.000 2.208 256 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 256 E C 0.787 177.400 176.600 0.022 0.000 0.988 256 E CA 1.433 57.828 56.400 -0.008 0.000 0.828 256 E CB 0.212 29.889 29.700 -0.039 0.000 0.763 256 E HN 0.642 nan 8.360 nan 0.000 0.478 257 E N -0.104 120.057 120.200 -0.065 0.000 2.048 257 E HA -0.223 4.127 4.350 -0.001 0.000 0.202 257 E C 1.183 177.747 176.600 -0.060 0.000 1.021 257 E CA 1.259 57.571 56.400 -0.146 0.000 0.825 257 E CB -0.463 28.956 29.700 -0.469 0.000 0.756 257 E HN 0.482 nan 8.360 nan 0.000 0.454 258 W N 1.590 122.925 121.300 0.057 0.000 3.216 258 W HA 0.086 4.746 4.660 -0.001 0.000 0.247 258 W C 1.527 178.066 176.519 0.035 0.000 1.326 258 W CA 0.045 57.416 57.345 0.043 0.000 1.564 258 W CB -0.325 29.149 29.460 0.022 0.000 1.113 258 W HN 0.156 nan 8.180 nan 0.000 0.722 259 K N 0.261 120.783 120.400 0.204 0.000 1.991 259 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 259 K C 2.066 178.813 176.600 0.245 0.000 1.045 259 K CA 1.063 57.400 56.287 0.084 0.000 0.937 259 K CB -0.620 31.734 32.500 -0.243 0.000 0.720 259 K HN -0.006 nan 8.250 nan 0.000 0.438 260 L N 1.997 123.449 121.223 0.381 0.000 2.043 260 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 260 L C 1.601 178.533 176.870 0.104 0.000 1.075 260 L CA 2.047 57.045 54.840 0.264 0.000 0.752 260 L CB -0.702 41.412 42.059 0.092 0.000 0.891 260 L HN 0.157 nan 8.230 nan 0.000 0.432 261 D N -0.655 119.824 120.400 0.132 0.000 2.087 261 D HA -0.211 4.428 4.640 -0.001 0.000 0.192 261 D C 2.303 178.647 176.300 0.074 0.000 0.993 261 D CA 2.354 56.417 54.000 0.105 0.000 0.828 261 D CB -0.344 40.587 40.800 0.218 0.000 0.968 261 D HN 0.658 nan 8.370 nan 0.000 0.448 262 T N -0.883 113.732 114.554 0.102 0.000 2.720 262 T HA -0.198 4.152 4.350 -0.001 0.000 0.268 262 T C 2.093 176.833 174.700 0.066 0.000 1.037 262 T CA 1.133 63.273 62.100 0.066 0.000 1.144 262 T CB -0.689 68.213 68.868 0.057 0.000 0.864 262 T HN 0.082 nan 8.240 nan 0.000 0.444 263 L N 1.453 122.732 121.223 0.092 0.000 1.997 263 L HA -0.084 4.255 4.340 -0.001 0.000 0.216 263 L C 2.741 179.623 176.870 0.019 0.000 1.074 263 L CA 1.573 56.468 54.840 0.091 0.000 0.763 263 L CB -1.101 41.035 42.059 0.128 0.000 0.890 263 L HN 0.556 nan 8.230 nan 0.000 0.434 264 C N -0.925 118.304 119.300 -0.119 0.000 2.446 264 C HA -0.070 4.389 4.460 -0.001 0.000 0.279 264 C C 2.327 177.374 174.990 0.095 0.000 1.366 264 C CA 0.124 59.007 59.018 -0.226 0.000 1.763 264 C CB -1.206 26.204 27.740 -0.550 0.000 1.929 264 C HN 0.549 nan 8.230 nan 0.000 0.509 265 D N 1.030 121.473 120.400 0.072 0.000 2.123 265 D HA -0.114 4.525 4.640 -0.001 0.000 0.196 265 D C 1.969 178.336 176.300 0.110 0.000 0.992 265 D CA 1.103 55.159 54.000 0.093 0.000 0.833 265 D CB -0.324 40.504 40.800 0.048 0.000 0.954 265 D HN 0.351 nan 8.370 nan 0.000 0.455 266 L N -0.036 121.251 121.223 0.108 0.000 2.093 266 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 266 L C 2.156 179.116 176.870 0.149 0.000 1.085 266 L CA 1.315 56.214 54.840 0.098 0.000 0.755 266 L CB -0.711 41.404 42.059 0.092 0.000 0.904 266 L HN 0.018 nan 8.230 nan 0.000 0.435 267 Y N 0.215 120.564 120.300 0.082 0.000 2.403 267 Y HA -0.215 4.335 4.550 -0.001 0.000 0.291 267 Y C 2.126 178.116 175.900 0.149 0.000 1.143 267 Y CA 1.964 60.151 58.100 0.146 0.000 1.257 267 Y CB 0.151 38.767 38.460 0.259 0.000 0.984 267 Y HN 0.395 nan 8.280 nan 0.000 0.550 268 E N -2.147 118.201 120.200 0.246 0.000 2.473 268 E HA 0.012 4.361 4.350 -0.001 0.000 0.204 268 E C 1.390 178.017 176.600 0.045 0.000 0.994 268 E CA 0.765 57.243 56.400 0.131 0.000 0.945 268 E CB 0.367 30.175 29.700 0.180 0.000 0.990 268 E HN 0.387 nan 8.360 nan 0.000 0.493 269 T N -1.606 112.972 114.554 0.040 0.000 3.105 269 T HA 0.207 4.556 4.350 -0.001 0.000 0.253 269 T C 0.911 175.596 174.700 -0.025 0.000 1.047 269 T CA -0.016 62.086 62.100 0.003 0.000 0.944 269 T CB 0.244 69.113 68.868 0.001 0.000 1.016 269 T HN -0.074 nan 8.240 nan 0.000 0.544 270 L N 0.777 121.980 121.223 -0.035 0.000 3.500 270 L HA 0.278 4.618 4.340 -0.001 0.000 0.320 270 L C 1.126 177.940 176.870 -0.093 0.000 1.205 270 L CA 0.694 55.499 54.840 -0.058 0.000 1.117 270 L CB 0.033 42.061 42.059 -0.052 0.000 1.542 270 L HN 0.461 nan 8.230 nan 0.000 0.622 271 T N -0.786 113.697 114.554 -0.118 0.000 3.490 271 T HA -0.303 4.047 4.350 -0.001 0.000 0.380 271 T C 0.553 175.103 174.700 -0.249 0.000 0.766 271 T CA 0.530 62.509 62.100 -0.201 0.000 1.878 271 T CB -2.313 66.476 68.868 -0.131 0.000 1.775 271 T HN 0.135 nan 8.240 nan 0.000 0.663 272 I N 1.131 121.545 120.570 -0.260 0.000 3.003 272 I HA 0.192 4.362 4.170 -0.001 0.000 0.294 272 I C 1.403 177.400 176.117 -0.199 0.000 1.237 272 I CA 0.460 61.652 61.300 -0.181 0.000 1.417 272 I CB 0.787 38.713 38.000 -0.124 0.000 1.340 272 I HN 0.455 nan 8.210 nan 0.000 0.594 273 T N 4.862 119.348 114.554 -0.113 0.000 2.990 273 T HA 0.203 4.552 4.350 -0.001 0.000 0.249 273 T C 0.353 175.026 174.700 -0.044 0.000 1.039 273 T CA 0.217 62.267 62.100 -0.084 0.000 1.036 273 T CB -0.055 68.777 68.868 -0.060 0.000 0.994 273 T HN 0.604 nan 8.240 nan 0.000 0.489 274 Q N 0.373 120.154 119.800 -0.032 0.000 2.323 274 Q HA 0.727 5.067 4.340 -0.001 0.000 0.271 274 Q C -1.576 174.424 176.000 0.001 0.000 1.048 274 Q CA -0.708 55.090 55.803 -0.008 0.000 0.792 274 Q CB 2.550 31.286 28.738 -0.004 0.000 1.280 274 Q HN 0.362 nan 8.270 nan 0.000 0.441 275 A N 1.624 124.454 122.820 0.017 0.000 2.577 275 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 275 A C -1.455 176.139 177.584 0.017 0.000 1.060 275 A CA -0.518 51.537 52.037 0.030 0.000 0.697 275 A CB 1.416 20.445 19.000 0.048 0.000 1.281 275 A HN 0.386 nan 8.150 nan 0.000 0.402 276 V N 2.538 122.454 119.914 0.003 0.000 2.370 276 V HA 0.470 4.589 4.120 -0.001 0.000 0.279 276 V C -0.225 175.819 176.094 -0.083 0.000 1.029 276 V CA -0.164 62.078 62.300 -0.097 0.000 0.870 276 V CB 1.044 32.767 31.823 -0.167 0.000 0.984 276 V HN 0.656 nan 8.190 nan 0.000 0.451 277 I N 4.995 125.487 120.570 -0.130 0.000 2.354 277 I HA 0.443 4.613 4.170 -0.001 0.000 0.292 277 I C -0.649 175.392 176.117 -0.127 0.000 0.989 277 I CA -0.171 61.115 61.300 -0.023 0.000 1.188 277 I CB 1.274 39.289 38.000 0.025 0.000 1.342 277 I HN 0.402 nan 8.210 nan 0.000 0.457 278 F N 6.475 126.486 119.950 0.101 0.000 2.404 278 F HA 0.523 5.049 4.527 -0.001 0.000 0.339 278 F C 0.210 176.083 175.800 0.122 0.000 1.105 278 F CA -0.392 57.663 58.000 0.092 0.000 1.087 278 F CB 1.167 40.216 39.000 0.082 0.000 1.143 278 F HN 0.142 nan 8.300 nan 0.000 0.491 279 I N 2.359 123.096 120.570 0.277 0.000 2.828 279 I HA 0.186 4.356 4.170 -0.001 0.000 0.302 279 I C 0.461 176.684 176.117 0.178 0.000 1.101 279 I CA -0.561 60.861 61.300 0.204 0.000 1.031 279 I CB 2.086 40.142 38.000 0.094 0.000 1.231 279 I HN 0.652 nan 8.210 nan 0.000 0.427 280 N N 1.471 120.257 118.700 0.142 0.000 2.446 280 N HA -0.023 4.716 4.740 -0.001 0.000 0.179 280 N C 0.029 175.578 175.510 0.064 0.000 1.054 280 N CA 0.556 53.666 53.050 0.099 0.000 0.905 280 N CB 0.574 39.107 38.487 0.077 0.000 0.973 280 N HN 0.765 nan 8.380 nan 0.000 0.448 281 T N -2.979 111.605 114.554 0.051 0.000 2.900 281 T HA 0.400 4.749 4.350 -0.001 0.000 0.303 281 T C 0.506 175.222 174.700 0.027 0.000 1.142 281 T CA -0.841 61.276 62.100 0.029 0.000 1.007 281 T CB 2.497 71.369 68.868 0.006 0.000 1.156 281 T HN -0.216 nan 8.240 nan 0.000 0.490 282 R N 0.305 120.818 120.500 0.022 0.000 2.091 282 R HA -0.016 4.323 4.340 -0.001 0.000 0.238 282 R C 2.689 179.004 176.300 0.025 0.000 1.136 282 R CA 1.835 57.947 56.100 0.022 0.000 0.959 282 R CB -0.340 29.970 30.300 0.015 0.000 0.856 282 R HN 0.746 nan 8.270 nan 0.000 0.437 283 R N 1.249 121.759 120.500 0.017 0.000 2.080 283 R HA -0.174 4.166 4.340 -0.001 0.000 0.236 283 R C 1.979 178.306 176.300 0.045 0.000 1.137 283 R CA 2.020 58.134 56.100 0.022 0.000 0.943 283 R CB -0.202 30.096 30.300 -0.003 0.000 0.846 283 R HN 0.066 nan 8.270 nan 0.000 0.431 284 K N 0.335 120.739 120.400 0.007 0.000 2.362 284 K HA -0.053 4.267 4.320 -0.001 0.000 0.200 284 K C 1.748 178.409 176.600 0.102 0.000 1.046 284 K CA 0.920 57.218 56.287 0.017 0.000 0.952 284 K CB 0.210 32.670 32.500 -0.068 0.000 0.753 284 K HN 0.134 nan 8.250 nan 0.000 0.466 285 V N 1.747 121.697 119.914 0.061 0.000 2.244 285 V HA -0.251 3.868 4.120 -0.001 0.000 0.244 285 V C 1.641 177.773 176.094 0.065 0.000 1.042 285 V CA 2.057 64.380 62.300 0.038 0.000 1.006 285 V CB -0.459 31.372 31.823 0.014 0.000 0.641 285 V HN 0.372 nan 8.190 nan 0.000 0.446 286 D N -1.106 119.339 120.400 0.075 0.000 2.133 286 D HA -0.250 4.390 4.640 -0.001 0.000 0.192 286 D C 1.588 177.955 176.300 0.111 0.000 1.001 286 D CA 1.641 55.683 54.000 0.071 0.000 0.844 286 D CB -0.413 40.426 40.800 0.065 0.000 0.944 286 D HN 0.579 nan 8.370 nan 0.000 0.447 287 W N 1.381 122.651 121.300 -0.051 0.000 2.274 287 W HA -0.282 4.378 4.660 -0.001 0.000 0.333 287 W C 2.413 178.885 176.519 -0.077 0.000 1.290 287 W CA 1.963 59.275 57.345 -0.055 0.000 1.208 287 W CB -1.047 28.381 29.460 -0.054 0.000 1.155 287 W HN 0.065 nan 8.180 nan 0.000 0.462 288 L N 0.406 121.697 121.223 0.112 0.000 2.042 288 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 288 L C 2.379 179.139 176.870 -0.184 0.000 1.076 288 L CA 2.946 57.688 54.840 -0.163 0.000 0.749 288 L CB -1.355 40.615 42.059 -0.149 0.000 0.893 288 L HN 0.056 nan 8.230 nan 0.000 0.432 289 T N 0.022 114.532 114.554 -0.072 0.000 2.607 289 T HA -0.287 4.063 4.350 -0.001 0.000 0.267 289 T C 1.562 176.287 174.700 0.042 0.000 1.049 289 T CA 2.022 64.123 62.100 0.003 0.000 1.162 289 T CB -0.429 68.462 68.868 0.038 0.000 0.863 289 T HN 0.732 nan 8.240 nan 0.000 0.424 290 E N 0.847 121.030 120.200 -0.029 0.000 2.427 290 E HA 0.005 4.355 4.350 -0.001 0.000 0.196 290 E C 1.871 178.404 176.600 -0.111 0.000 1.028 290 E CA 0.797 57.175 56.400 -0.038 0.000 0.864 290 E CB -0.101 29.559 29.700 -0.067 0.000 0.813 290 E HN 0.311 nan 8.360 nan 0.000 0.514 291 K N -0.319 119.933 120.400 -0.247 0.000 2.459 291 K HA 0.152 4.471 4.320 -0.001 0.000 0.193 291 K C 1.557 177.997 176.600 -0.267 0.000 1.030 291 K CA 0.445 56.532 56.287 -0.333 0.000 1.026 291 K CB 0.211 32.335 32.500 -0.627 0.000 0.809 291 K HN 0.276 nan 8.250 nan 0.000 0.504 292 M N -1.126 118.348 119.600 -0.210 0.000 2.615 292 M HA 0.009 4.488 4.480 -0.001 0.000 0.262 292 M C 1.451 177.680 176.300 -0.117 0.000 1.198 292 M CA 0.671 55.821 55.300 -0.249 0.000 1.165 292 M CB -0.044 32.349 32.600 -0.345 0.000 1.310 292 M HN 0.200 nan 8.290 nan 0.000 0.494 293 H N 0.418 119.445 119.070 -0.071 0.000 2.387 293 H HA 0.002 4.558 4.556 -0.001 0.000 0.299 293 H C 2.078 177.397 175.328 -0.015 0.000 1.090 293 H CA 1.679 57.714 56.048 -0.022 0.000 1.332 293 H CB 0.069 29.809 29.762 -0.035 0.000 1.386 293 H HN 0.358 nan 8.280 nan 0.000 0.516 294 A N 1.136 123.992 122.820 0.059 0.000 2.032 294 A HA -0.199 4.120 4.320 -0.001 0.000 0.221 294 A C 2.264 179.864 177.584 0.027 0.000 1.165 294 A CA 1.507 53.552 52.037 0.012 0.000 0.645 294 A CB -0.317 18.655 19.000 -0.046 0.000 0.807 294 A HN 0.318 nan 8.150 nan 0.000 0.453 295 R N -1.661 118.871 120.500 0.053 0.000 2.362 295 R HA 0.149 4.489 4.340 -0.001 0.000 0.227 295 R C -0.261 176.217 176.300 0.297 0.000 0.905 295 R CA 0.456 56.656 56.100 0.168 0.000 1.067 295 R CB 0.393 30.746 30.300 0.089 0.000 1.078 295 R HN 0.347 nan 8.270 nan 0.000 0.516 296 D N -1.607 118.876 120.400 0.140 0.000 2.839 296 D HA -0.153 4.487 4.640 -0.001 0.000 0.194 296 D C -1.000 175.218 176.300 -0.136 0.000 0.988 296 D CA 1.018 55.006 54.000 -0.021 0.000 1.009 296 D CB -1.155 39.581 40.800 -0.106 0.000 1.067 296 D HN 0.097 nan 8.370 nan 0.000 0.444 297 F N 1.797 121.608 119.950 -0.231 0.000 2.406 297 F HA 0.289 4.816 4.527 -0.001 0.000 0.358 297 F C 1.293 176.839 175.800 -0.424 0.000 1.161 297 F CA -0.757 57.059 58.000 -0.307 0.000 1.185 297 F CB 0.088 38.681 39.000 -0.678 0.000 1.421 297 F HN -0.242 nan 8.300 nan 0.000 0.576 298 T N -0.090 114.346 114.554 -0.197 0.000 2.940 298 T HA 0.450 4.800 4.350 -0.001 0.000 0.309 298 T C -0.295 174.274 174.700 -0.219 0.000 1.056 298 T CA -0.513 61.360 62.100 -0.378 0.000 1.137 298 T CB 1.531 70.366 68.868 -0.056 0.000 0.976 298 T HN 0.512 nan 8.240 nan 0.000 0.547 299 V N 1.342 121.115 119.914 -0.235 0.000 3.108 299 V HA 0.554 4.674 4.120 -0.001 0.000 0.287 299 V C -0.951 175.242 176.094 0.165 0.000 1.436 299 V CA -0.766 61.529 62.300 -0.009 0.000 1.001 299 V CB 2.471 34.242 31.823 -0.086 0.000 1.141 299 V HN 1.180 nan 8.190 nan 0.000 0.443 300 S N 3.472 119.226 115.700 0.089 0.000 2.525 300 S HA 0.924 5.394 4.470 -0.001 0.000 0.290 300 S C -0.165 174.451 174.600 0.027 0.000 1.152 300 S CA 0.097 58.337 58.200 0.068 0.000 1.072 300 S CB 1.585 64.804 63.200 0.033 0.000 1.027 300 S HN 1.474 nan 8.310 nan 0.000 0.500 301 A N 3.154 125.983 122.820 0.015 0.000 2.365 301 A HA 0.906 5.225 4.320 -0.001 0.000 0.318 301 A C -0.441 177.131 177.584 -0.020 0.000 1.091 301 A CA -0.861 51.171 52.037 -0.009 0.000 0.763 301 A CB 0.808 19.806 19.000 -0.003 0.000 1.248 301 A HN 0.882 nan 8.150 nan 0.000 0.442 307 D N 2.431 122.821 120.400 -0.016 0.000 2.248 307 D HA -0.236 4.403 4.640 -0.001 0.000 0.191 307 D C 1.377 177.666 176.300 -0.019 0.000 1.013 307 D CA 2.524 56.514 54.000 -0.017 0.000 0.883 307 D CB 0.030 40.825 40.800 -0.009 0.000 0.915 307 D HN 0.794 nan 8.370 nan 0.000 0.448 308 Q N -0.115 119.675 119.800 -0.016 0.000 2.049 308 Q HA -0.010 4.329 4.340 -0.001 0.000 0.198 308 Q C 2.077 178.065 176.000 -0.019 0.000 0.971 308 Q CA 1.011 56.805 55.803 -0.016 0.000 0.833 308 Q CB 0.153 28.883 28.738 -0.014 0.000 0.896 308 Q HN 0.229 nan 8.270 nan 0.000 0.434 309 K N 0.079 120.468 120.400 -0.019 0.000 2.365 309 K HA -0.123 4.196 4.320 -0.001 0.000 0.199 309 K C 1.662 178.247 176.600 -0.026 0.000 1.045 309 K CA 0.826 57.100 56.287 -0.021 0.000 0.962 309 K CB 0.142 32.630 32.500 -0.019 0.000 0.759 309 K HN 0.228 nan 8.250 nan 0.000 0.469 310 E N 1.101 121.283 120.200 -0.030 0.000 2.045 310 E HA -0.072 4.278 4.350 -0.001 0.000 0.190 310 E C 2.017 178.582 176.600 -0.057 0.000 0.968 310 E CA 0.130 56.506 56.400 -0.040 0.000 0.813 310 E CB 0.154 29.831 29.700 -0.038 0.000 0.780 310 E HN 0.085 nan 8.360 nan 0.000 0.455 311 R N 0.876 121.340 120.500 -0.060 0.000 2.228 311 R HA -0.274 4.066 4.340 -0.001 0.000 0.264 311 R C 1.442 177.684 176.300 -0.097 0.000 1.179 311 R CA 2.193 58.241 56.100 -0.086 0.000 0.998 311 R CB -0.203 30.070 30.300 -0.045 0.000 0.885 311 R HN 0.201 nan 8.270 nan 0.000 0.466 312 D N -0.438 119.927 120.400 -0.059 0.000 2.081 312 D HA -0.136 4.503 4.640 -0.001 0.000 0.194 312 D C 1.951 178.223 176.300 -0.047 0.000 0.986 312 D CA 1.843 55.816 54.000 -0.045 0.000 0.837 312 D CB -0.394 40.390 40.800 -0.027 0.000 0.985 312 D HN 0.104 nan 8.370 nan 0.000 0.448 313 V N 1.923 121.812 119.914 -0.042 0.000 2.453 313 V HA -0.249 3.871 4.120 -0.001 0.000 0.252 313 V C 2.398 178.462 176.094 -0.050 0.000 1.068 313 V CA 1.587 63.866 62.300 -0.035 0.000 1.070 313 V CB -0.725 31.079 31.823 -0.033 0.000 0.664 313 V HN 0.309 nan 8.190 nan 0.000 0.461 314 I N -2.372 118.141 120.570 -0.095 0.000 2.716 314 I HA -0.071 4.098 4.170 -0.001 0.000 0.259 314 I C 2.323 178.325 176.117 -0.191 0.000 1.172 314 I CA 1.349 62.552 61.300 -0.161 0.000 1.478 314 I CB -0.412 37.429 38.000 -0.264 0.000 1.104 314 I HN 0.261 nan 8.210 nan 0.000 0.439 315 M N 0.940 120.440 119.600 -0.165 0.000 2.236 315 M HA -0.033 4.447 4.480 -0.001 0.000 0.266 315 M C 2.434 178.720 176.300 -0.022 0.000 1.070 315 M CA 1.406 56.621 55.300 -0.141 0.000 1.137 315 M CB 0.066 32.596 32.600 -0.116 0.000 1.378 315 M HN 0.101 nan 8.290 nan 0.000 0.426 316 R N -0.628 119.863 120.500 -0.014 0.000 2.223 316 R HA -0.027 4.313 4.340 -0.001 0.000 0.198 316 R C 1.625 177.939 176.300 0.022 0.000 0.984 316 R CA 0.504 56.608 56.100 0.007 0.000 1.018 316 R CB 0.307 30.607 30.300 0.001 0.000 0.945 316 R HN 0.246 nan 8.270 nan 0.000 0.479 317 E N 0.347 120.566 120.200 0.033 0.000 2.021 317 E HA -0.096 4.253 4.350 -0.001 0.000 0.189 317 E C 1.454 178.117 176.600 0.106 0.000 0.980 317 E CA 0.715 57.148 56.400 0.054 0.000 0.803 317 E CB -0.463 29.266 29.700 0.050 0.000 0.766 317 E HN 0.063 nan 8.360 nan 0.000 0.449 318 F N 1.818 121.704 119.950 -0.106 0.000 2.052 318 F HA -0.281 4.245 4.527 -0.001 0.000 0.297 318 F C 2.526 178.270 175.800 -0.092 0.000 1.166 318 F CA 2.006 59.927 58.000 -0.130 0.000 1.218 318 F CB -0.508 38.348 39.000 -0.239 0.000 0.943 318 F HN 0.012 nan 8.300 nan 0.000 0.521 319 R N 0.040 120.569 120.500 0.049 0.000 2.237 319 R HA 0.021 4.360 4.340 -0.001 0.000 0.219 319 R C -0.218 176.070 176.300 -0.020 0.000 1.080 319 R CA 1.051 57.139 56.100 -0.020 0.000 0.995 319 R CB -0.131 30.177 30.300 0.013 0.000 0.875 319 R HN 0.401 nan 8.270 nan 0.000 0.462 320 S N -2.582 113.117 115.700 -0.001 0.000 2.694 320 S HA 0.198 4.668 4.470 -0.001 0.000 0.784 320 S C -0.676 173.925 174.600 0.001 0.000 0.785 320 S CA -0.082 58.115 58.200 -0.005 0.000 1.565 320 S CB -0.743 62.446 63.200 -0.019 0.000 1.132 320 S HN 0.697 nan 8.310 nan 0.000 0.234 326 L N 5.351 126.571 121.223 -0.005 0.000 2.385 326 L HA 0.819 5.158 4.340 -0.001 0.000 0.273 326 L C -0.841 175.965 176.870 -0.106 0.000 0.990 326 L CA -0.424 54.387 54.840 -0.048 0.000 0.821 326 L CB 1.843 43.862 42.059 -0.066 0.000 1.279 326 L HN 0.743 nan 8.230 nan 0.000 0.412 327 I N 4.471 124.984 120.570 -0.096 0.000 2.405 327 I HA 0.400 4.569 4.170 -0.001 0.000 0.280 327 I C -0.094 175.949 176.117 -0.123 0.000 1.027 327 I CA -0.196 61.031 61.300 -0.122 0.000 1.161 327 I CB 1.523 39.475 38.000 -0.080 0.000 1.300 327 I HN 0.656 nan 8.210 nan 0.000 0.463 328 T N -0.161 114.271 114.554 -0.203 0.000 2.940 328 T HA 0.464 4.814 4.350 -0.001 0.000 0.288 328 T C 1.043 175.715 174.700 -0.046 0.000 1.045 328 T CA -0.202 61.820 62.100 -0.131 0.000 1.018 328 T CB 1.714 70.483 68.868 -0.165 0.000 1.151 328 T HN 0.549 nan 8.240 nan 0.000 0.529 329 T N -0.390 114.183 114.554 0.033 0.000 2.700 329 T HA 0.092 4.441 4.350 -0.001 0.000 0.226 329 T C 0.828 175.680 174.700 0.254 0.000 1.209 329 T CA 2.024 64.190 62.100 0.109 0.000 1.755 329 T CB -0.780 68.138 68.868 0.083 0.000 1.080 329 T HN 0.905 nan 8.240 nan 0.000 0.380 330 D N -1.912 118.643 120.400 0.259 0.000 1.018 330 D HA -0.028 4.611 4.640 -0.001 0.000 0.859 330 D C 1.223 177.624 176.300 0.169 0.000 0.471 330 D CA 0.436 54.628 54.000 0.319 0.000 1.249 330 D CB -1.043 39.874 40.800 0.195 0.000 1.833 330 D HN 0.264 nan 8.370 nan 0.000 0.363 331 L N 2.152 123.435 121.223 0.099 0.000 1.934 331 L HA -0.044 4.296 4.340 -0.001 0.000 0.227 331 L C 2.013 178.920 176.870 0.062 0.000 1.084 331 L CA 2.734 57.605 54.840 0.053 0.000 0.790 331 L CB -1.599 40.481 42.059 0.036 0.000 0.896 331 L HN 0.464 nan 8.230 nan 0.000 0.437 332 L N -0.027 121.232 121.223 0.059 0.000 2.353 332 L HA 0.235 4.575 4.340 -0.001 0.000 0.220 332 L C 1.763 178.676 176.870 0.071 0.000 1.133 332 L CA 0.500 55.367 54.840 0.045 0.000 0.798 332 L CB -3.005 39.065 42.059 0.019 0.000 0.922 332 L HN 0.347 nan 8.230 nan 0.000 0.445 337 D N 5.559 126.093 120.400 0.224 0.000 2.383 337 D HA 0.320 4.959 4.640 -0.001 0.000 0.245 337 D C 1.483 177.876 176.300 0.155 0.000 1.263 337 D CA -0.055 54.081 54.000 0.227 0.000 0.936 337 D CB 0.855 41.849 40.800 0.323 0.000 1.053 337 D HN 0.463 nan 8.370 nan 0.000 0.507 338 V N 1.758 121.758 119.914 0.144 0.000 3.383 338 V HA -0.135 3.985 4.120 -0.001 0.000 0.272 338 V C 1.588 177.736 176.094 0.091 0.000 1.181 338 V CA 0.936 63.315 62.300 0.131 0.000 1.171 338 V CB -0.876 31.067 31.823 0.199 0.000 0.800 338 V HN 0.479 nan 8.190 nan 0.000 0.515 339 Q N -0.076 119.770 119.800 0.076 0.000 2.424 339 Q HA 0.074 4.413 4.340 -0.001 0.000 0.204 339 Q C 1.702 177.721 176.000 0.032 0.000 0.933 339 Q CA 0.407 56.239 55.803 0.048 0.000 0.929 339 Q CB 0.191 28.956 28.738 0.046 0.000 1.037 339 Q HN 0.655 nan 8.270 nan 0.000 0.511 340 Q N 0.665 120.482 119.800 0.028 0.000 2.188 340 Q HA 0.152 4.492 4.340 -0.001 0.000 0.212 340 Q C -0.823 175.184 176.000 0.011 0.000 0.846 340 Q CA -0.050 55.755 55.803 0.004 0.000 0.989 340 Q CB 1.069 29.790 28.738 -0.029 0.000 1.114 340 Q HN 0.048 nan 8.270 nan 0.000 0.488 341 V N 1.497 121.428 119.914 0.028 0.000 2.347 341 V HA 0.075 4.195 4.120 -0.001 0.000 0.280 341 V C 1.163 177.276 176.094 0.032 0.000 1.021 341 V CA -0.090 62.228 62.300 0.030 0.000 0.847 341 V CB 1.470 33.320 31.823 0.044 0.000 0.990 341 V HN 0.264 nan 8.190 nan 0.000 0.444 342 S N 4.428 120.143 115.700 0.023 0.000 2.419 342 S HA 0.006 4.475 4.470 -0.001 0.000 0.233 342 S C 0.392 175.015 174.600 0.039 0.000 1.016 342 S CA 0.656 58.871 58.200 0.025 0.000 0.974 342 S CB -0.112 63.096 63.200 0.014 0.000 0.786 342 S HN 0.535 nan 8.310 nan 0.000 0.492 343 L N 1.770 123.019 121.223 0.043 0.000 2.372 343 L HA 0.660 5.000 4.340 -0.001 0.000 0.274 343 L C -1.253 175.666 176.870 0.081 0.000 0.988 343 L CA -0.737 54.139 54.840 0.059 0.000 0.833 343 L CB 2.035 44.121 42.059 0.045 0.000 1.236 343 L HN -0.006 nan 8.230 nan 0.000 0.410 344 V N 6.298 126.275 119.914 0.105 0.000 2.513 344 V HA 0.564 4.683 4.120 -0.001 0.000 0.299 344 V C -0.135 176.061 176.094 0.170 0.000 1.035 344 V CA -0.445 61.947 62.300 0.155 0.000 0.889 344 V CB 1.882 33.812 31.823 0.178 0.000 0.988 344 V HN 0.628 nan 8.190 nan 0.000 0.440 345 I N 3.677 124.374 120.570 0.212 0.000 2.439 345 I HA 0.383 4.553 4.170 -0.001 0.000 0.285 345 I C -0.484 175.806 176.117 0.288 0.000 1.021 345 I CA -0.538 60.894 61.300 0.219 0.000 1.091 345 I CB 1.907 40.026 38.000 0.198 0.000 1.242 345 I HN 0.516 nan 8.210 nan 0.000 0.439 346 N N 5.974 124.830 118.700 0.261 0.000 2.448 346 N HA 0.037 4.776 4.740 -0.001 0.000 0.250 346 N C 0.481 176.150 175.510 0.266 0.000 1.136 346 N CA 0.052 53.268 53.050 0.277 0.000 0.953 346 N CB 0.498 39.121 38.487 0.227 0.000 1.251 346 N HN 0.566 nan 8.380 nan 0.000 0.502 347 Y N 1.796 122.202 120.300 0.177 0.000 2.133 347 Y HA -0.100 4.450 4.550 -0.001 0.000 0.287 347 Y C 0.326 176.305 175.900 0.132 0.000 1.134 347 Y CA 1.268 59.455 58.100 0.145 0.000 1.133 347 Y CB 0.388 38.930 38.460 0.137 0.000 0.987 347 Y HN 0.309 nan 8.280 nan 0.000 0.502 348 D N -0.081 120.524 120.400 0.343 0.000 2.340 348 D HA 0.298 4.937 4.640 -0.001 0.000 0.251 348 D C -1.390 175.009 176.300 0.164 0.000 1.080 348 D CA -0.274 53.847 54.000 0.202 0.000 0.971 348 D CB 1.570 42.496 40.800 0.211 0.000 1.137 348 D HN -0.004 nan 8.370 nan 0.000 0.475 349 L N 2.006 123.296 121.223 0.111 0.000 2.317 349 L HA 0.384 4.724 4.340 -0.001 0.000 0.281 349 L C -2.279 174.640 176.870 0.082 0.000 1.024 349 L CA -1.942 52.961 54.840 0.105 0.000 0.810 349 L CB 1.478 43.576 42.059 0.065 0.000 1.240 349 L HN 0.129 nan 8.230 nan 0.000 0.427 350 P HA 0.080 nan 4.420 nan 0.000 0.265 350 P C 0.731 178.042 177.300 0.017 0.000 1.222 350 P CA -0.029 63.103 63.100 0.054 0.000 0.767 350 P CB 0.323 32.069 31.700 0.077 0.000 0.801 351 T N -0.256 114.304 114.554 0.011 0.000 2.915 351 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 351 T C 0.860 175.544 174.700 -0.028 0.000 1.071 351 T CA 0.705 62.801 62.100 -0.007 0.000 1.132 351 T CB -0.441 68.427 68.868 -0.001 0.000 0.878 351 T HN 0.279 nan 8.240 nan 0.000 0.479 352 N N 1.142 119.827 118.700 -0.026 0.000 2.437 352 N HA 0.201 4.941 4.740 -0.001 0.000 0.243 352 N C 1.009 176.459 175.510 -0.101 0.000 1.041 352 N CA -0.302 52.720 53.050 -0.046 0.000 0.940 352 N CB 0.801 39.277 38.487 -0.018 0.000 1.133 352 N HN 0.315 nan 8.380 nan 0.000 0.506 353 R N 1.670 122.023 120.500 -0.245 0.000 2.103 353 R HA -0.134 4.205 4.340 -0.001 0.000 0.242 353 R C 1.142 177.174 176.300 -0.446 0.000 1.142 353 R CA 1.168 56.952 56.100 -0.526 0.000 0.960 353 R CB 0.140 29.766 30.300 -1.122 0.000 0.858 353 R HN 0.606 nan 8.270 nan 0.000 0.439 354 E N 0.439 120.445 120.200 -0.324 0.000 2.209 354 E HA -0.190 4.159 4.350 -0.001 0.000 0.196 354 E C 1.280 178.031 176.600 0.252 0.000 0.993 354 E CA 1.136 57.561 56.400 0.041 0.000 0.819 354 E CB -0.233 29.546 29.700 0.131 0.000 0.745 354 E HN 0.304 nan 8.360 nan 0.000 0.477 355 N N -0.744 118.050 118.700 0.158 0.000 2.494 355 N HA -0.110 4.630 4.740 -0.001 0.000 0.182 355 N C 1.443 177.039 175.510 0.143 0.000 1.076 355 N CA 0.098 53.254 53.050 0.176 0.000 0.908 355 N CB 0.006 38.516 38.487 0.038 0.000 0.967 355 N HN 0.136 nan 8.380 nan 0.000 0.449 356 Y N 0.723 121.033 120.300 0.018 0.000 2.109 356 Y HA -0.127 4.422 4.550 -0.001 0.000 0.285 356 Y C 2.072 177.884 175.900 -0.146 0.000 1.131 356 Y CA 1.379 59.439 58.100 -0.067 0.000 1.121 356 Y CB -0.562 37.907 38.460 0.014 0.000 0.987 356 Y HN 0.091 nan 8.280 nan 0.000 0.495 357 I N 0.239 120.740 120.570 -0.115 0.000 2.248 357 I HA -0.378 3.791 4.170 -0.001 0.000 0.248 357 I C 2.312 178.256 176.117 -0.289 0.000 1.107 357 I CA 1.949 63.038 61.300 -0.352 0.000 1.373 357 I CB -0.711 37.075 38.000 -0.355 0.000 1.055 357 I HN 0.356 nan 8.210 nan 0.000 0.418 358 H N 0.396 119.388 119.070 -0.130 0.000 2.457 358 H HA -0.129 4.427 4.556 -0.001 0.000 0.297 358 H C 2.379 177.582 175.328 -0.209 0.000 1.092 358 H CA 1.614 57.593 56.048 -0.115 0.000 1.309 358 H CB -0.066 29.657 29.762 -0.065 0.000 1.382 358 H HN 0.414 nan 8.280 nan 0.000 0.535 359 R N 0.025 120.338 120.500 -0.311 0.000 2.043 359 R HA 0.034 4.374 4.340 -0.001 0.000 0.221 359 R C 2.526 178.632 176.300 -0.323 0.000 1.196 359 R CA 0.769 56.465 56.100 -0.673 0.000 0.949 359 R CB -0.171 29.385 30.300 -1.240 0.000 0.838 359 R HN 0.162 nan 8.270 nan 0.000 0.446 360 I N 0.382 120.687 120.570 -0.442 0.000 2.186 360 I HA -0.000 4.169 4.170 -0.001 0.000 0.228 360 I C 1.217 177.199 176.117 -0.225 0.000 1.062 360 I CA 1.404 62.512 61.300 -0.320 0.000 1.347 360 I CB -0.951 36.720 38.000 -0.549 0.000 1.122 360 I HN 0.261 nan 8.210 nan 0.000 0.402 361 G N 0.328 108.943 108.800 -0.309 0.000 2.518 361 G HA2 0.321 4.281 3.960 -0.001 0.000 0.284 361 G HA3 0.321 4.281 3.960 -0.001 0.000 0.284 361 G C -0.585 174.238 174.900 -0.129 0.000 1.362 361 G CA 0.217 45.194 45.100 -0.205 0.000 1.065 361 G HN 0.851 nan 8.290 nan 0.000 0.561 371 V N -0.627 119.337 119.914 0.083 0.000 3.158 371 V HA 1.048 5.167 4.120 -0.001 0.000 0.311 371 V C -0.222 175.944 176.094 0.120 0.000 1.181 371 V CA -0.518 61.855 62.300 0.121 0.000 1.054 371 V CB 1.704 33.661 31.823 0.222 0.000 1.085 371 V HN 2.449 nan 8.190 nan 0.000 0.446 372 A N 1.707 124.618 122.820 0.151 0.000 2.486 372 A HA 0.912 5.232 4.320 -0.001 0.000 0.300 372 A C -1.257 176.455 177.584 0.214 0.000 1.048 372 A CA -0.581 51.538 52.037 0.136 0.000 0.696 372 A CB 1.540 20.566 19.000 0.044 0.000 1.278 372 A HN 1.017 nan 8.150 nan 0.000 0.405 373 I N 1.589 122.282 120.570 0.205 0.000 2.466 373 I HA 0.276 4.446 4.170 -0.001 0.000 0.289 373 I C -0.551 175.699 176.117 0.222 0.000 1.026 373 I CA -0.394 61.048 61.300 0.237 0.000 1.078 373 I CB 2.289 40.394 38.000 0.175 0.000 1.249 373 I HN 0.751 nan 8.210 nan 0.000 0.429 374 N N 6.861 125.712 118.700 0.252 0.000 2.419 374 N HA 0.493 5.232 4.740 -0.001 0.000 0.277 374 N C -0.908 174.717 175.510 0.191 0.000 1.006 374 N CA -0.559 52.633 53.050 0.237 0.000 0.923 374 N CB 1.289 39.939 38.487 0.272 0.000 1.140 374 N HN 0.428 nan 8.380 nan 0.000 0.488 375 M N 3.097 122.776 119.600 0.132 0.000 2.111 375 M HA 0.230 4.710 4.480 -0.001 0.000 0.351 375 M C -0.655 175.682 176.300 0.061 0.000 1.214 375 M CA -0.868 54.471 55.300 0.065 0.000 1.120 375 M CB 0.335 32.910 32.600 -0.042 0.000 1.443 375 M HN 0.257 nan 8.290 nan 0.000 0.429 376 V N 0.900 120.882 119.914 0.114 0.000 2.483 376 V HA 0.715 4.835 4.120 -0.001 0.000 0.295 376 V C 0.362 176.505 176.094 0.082 0.000 1.035 376 V CA -0.729 61.633 62.300 0.102 0.000 0.896 376 V CB 1.040 32.952 31.823 0.147 0.000 0.986 376 V HN 0.832 nan 8.190 nan 0.000 0.447 377 T N 0.270 114.854 114.554 0.050 0.000 2.862 377 T HA 0.391 4.740 4.350 -0.001 0.000 0.276 377 T C 0.866 175.600 174.700 0.056 0.000 0.974 377 T CA -0.218 61.914 62.100 0.052 0.000 0.966 377 T CB 1.391 70.277 68.868 0.030 0.000 1.072 377 T HN 0.653 nan 8.240 nan 0.000 0.538 378 E N 0.602 120.838 120.200 0.060 0.000 2.033 378 E HA -0.181 4.169 4.350 -0.001 0.000 0.199 378 E C 1.986 178.604 176.600 0.030 0.000 1.011 378 E CA 1.782 58.212 56.400 0.050 0.000 0.815 378 E CB -0.577 29.155 29.700 0.053 0.000 0.755 378 E HN 0.905 nan 8.360 nan 0.000 0.451 379 E N 0.338 120.552 120.200 0.024 0.000 2.114 379 E HA -0.206 4.143 4.350 -0.001 0.000 0.199 379 E C 1.284 177.888 176.600 0.006 0.000 1.008 379 E CA 1.616 58.023 56.400 0.011 0.000 0.810 379 E CB -0.011 29.692 29.700 0.007 0.000 0.739 379 E HN 0.135 nan 8.360 nan 0.000 0.456 380 D N -0.360 120.046 120.400 0.010 0.000 2.378 380 D HA -0.086 4.554 4.640 -0.001 0.000 0.227 380 D C 1.397 177.694 176.300 -0.005 0.000 1.012 380 D CA 0.413 54.416 54.000 0.004 0.000 0.905 380 D CB 0.014 40.822 40.800 0.014 0.000 0.895 380 D HN -0.000 nan 8.370 nan 0.000 0.532 381 K N 1.246 121.645 120.400 -0.001 0.000 2.001 381 K HA -0.192 4.128 4.320 -0.001 0.000 0.214 381 K C 1.965 178.538 176.600 -0.046 0.000 1.050 381 K CA 1.450 57.725 56.287 -0.020 0.000 0.934 381 K CB -0.020 32.477 32.500 -0.005 0.000 0.718 381 K HN 0.246 nan 8.250 nan 0.000 0.443 382 R N -1.270 119.210 120.500 -0.033 0.000 2.073 382 R HA -0.093 4.246 4.340 -0.001 0.000 0.234 382 R C 2.356 178.628 176.300 -0.046 0.000 1.134 382 R CA 1.873 57.951 56.100 -0.037 0.000 0.952 382 R CB -1.406 28.880 30.300 -0.024 0.000 0.850 382 R HN 0.093 nan 8.270 nan 0.000 0.433 383 T N 0.893 115.423 114.554 -0.039 0.000 2.778 383 T HA -0.131 4.218 4.350 -0.001 0.000 0.269 383 T C 1.692 176.349 174.700 -0.072 0.000 1.050 383 T CA 1.476 63.549 62.100 -0.046 0.000 1.137 383 T CB -0.159 68.690 68.868 -0.032 0.000 0.860 383 T HN 0.257 nan 8.240 nan 0.000 0.468 384 L N 0.373 121.547 121.223 -0.081 0.000 2.095 384 L HA 0.224 4.564 4.340 -0.001 0.000 0.204 384 L C 2.620 179.411 176.870 -0.131 0.000 1.080 384 L CA 1.532 56.301 54.840 -0.118 0.000 0.759 384 L CB -0.332 41.653 42.059 -0.123 0.000 0.914 384 L HN 0.062 nan 8.230 nan 0.000 0.439 385 R N -0.288 120.143 120.500 -0.115 0.000 2.249 385 R HA -0.158 4.182 4.340 -0.001 0.000 0.230 385 R C 1.553 177.814 176.300 -0.066 0.000 1.121 385 R CA 1.303 57.345 56.100 -0.096 0.000 0.997 385 R CB -0.255 29.996 30.300 -0.082 0.000 0.867 385 R HN 0.507 nan 8.270 nan 0.000 0.465 386 D N 0.195 120.558 120.400 -0.062 0.000 2.110 386 D HA -0.089 4.550 4.640 -0.001 0.000 0.202 386 D C 1.926 178.209 176.300 -0.028 0.000 0.975 386 D CA 0.792 54.774 54.000 -0.030 0.000 0.839 386 D CB -0.055 40.730 40.800 -0.025 0.000 0.996 386 D HN 0.053 nan 8.370 nan 0.000 0.464 387 I N 1.687 122.188 120.570 -0.116 0.000 2.185 387 I HA -0.253 3.917 4.170 -0.001 0.000 0.246 387 I C 2.198 178.289 176.117 -0.043 0.000 1.088 387 I CA 1.293 62.483 61.300 -0.185 0.000 1.347 387 I CB -1.111 36.635 38.000 -0.423 0.000 1.041 387 I HN 0.136 nan 8.210 nan 0.000 0.415 388 E N 0.275 120.441 120.200 -0.058 0.000 2.153 388 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 388 E C 1.985 178.607 176.600 0.037 0.000 0.988 388 E CA 2.014 58.411 56.400 -0.005 0.000 0.811 388 E CB 0.065 29.736 29.700 -0.048 0.000 0.746 388 E HN 0.673 nan 8.360 nan 0.000 0.466 389 T N -2.287 112.280 114.554 0.021 0.000 3.044 389 T HA 0.023 4.372 4.350 -0.001 0.000 0.250 389 T C 1.460 176.157 174.700 -0.005 0.000 1.081 389 T CA -0.285 61.818 62.100 0.005 0.000 1.040 389 T CB -0.157 68.698 68.868 -0.021 0.000 0.962 389 T HN 0.021 nan 8.240 nan 0.000 0.506 390 F N 2.385 122.233 119.950 -0.169 0.000 2.039 390 F HA 0.163 4.689 4.527 -0.001 0.000 0.294 390 F C 0.153 175.735 175.800 -0.362 0.000 1.130 390 F CA 0.361 58.169 58.000 -0.319 0.000 1.189 390 F CB -0.188 38.510 39.000 -0.505 0.000 0.983 390 F HN 0.114 nan 8.300 nan 0.000 0.471 391 Y N 0.829 121.318 120.300 0.314 0.000 2.365 391 Y HA 0.179 4.728 4.550 -0.001 0.000 0.340 391 Y C 0.518 176.464 175.900 0.075 0.000 1.016 391 Y CA -1.090 57.112 58.100 0.170 0.000 1.196 391 Y CB -0.361 38.202 38.460 0.172 0.000 1.167 391 Y HN -0.013 nan 8.280 nan 0.000 0.509 392 N N 2.544 121.328 118.700 0.140 0.000 2.921 392 N HA -0.074 4.666 4.740 -0.001 0.000 0.325 392 N C -0.754 174.805 175.510 0.081 0.000 1.194 392 N CA 0.450 53.543 53.050 0.072 0.000 1.184 392 N CB -0.264 38.244 38.487 0.035 0.000 1.433 392 N HN 0.677 nan 8.380 nan 0.000 0.539 393 T N -0.199 114.415 114.554 0.100 0.000 2.907 393 T HA 0.464 4.813 4.350 -0.001 0.000 0.292 393 T C -0.850 173.873 174.700 0.038 0.000 1.043 393 T CA -0.526 61.621 62.100 0.079 0.000 1.003 393 T CB 0.960 69.900 68.868 0.119 0.000 1.084 393 T HN 0.078 nan 8.240 nan 0.000 0.483 394 S N 2.418 118.126 115.700 0.013 0.000 2.451 394 S HA 0.620 5.090 4.470 -0.001 0.000 0.301 394 S C -0.509 174.076 174.600 -0.025 0.000 1.116 394 S CA -0.598 57.596 58.200 -0.010 0.000 1.093 394 S CB 0.326 63.518 63.200 -0.013 0.000 1.017 394 S HN 0.519 nan 8.310 nan 0.000 0.482 395 I N 3.542 124.097 120.570 -0.026 0.000 2.405 395 I HA 0.293 4.463 4.170 -0.001 0.000 0.280 395 I C 0.186 176.348 176.117 0.075 0.000 1.027 395 I CA -0.390 60.906 61.300 -0.006 0.000 1.161 395 I CB 1.159 39.168 38.000 0.015 0.000 1.300 395 I HN 0.545 nan 8.210 nan 0.000 0.463 396 E N 4.430 124.651 120.200 0.035 0.000 2.322 396 E HA 0.265 4.614 4.350 -0.001 0.000 0.257 396 E C -0.306 176.537 176.600 0.405 0.000 1.155 396 E CA -0.727 55.788 56.400 0.193 0.000 0.936 396 E CB 1.332 31.061 29.700 0.049 0.000 1.130 396 E HN 0.483 nan 8.360 nan 0.000 0.465 397 E N 1.091 121.487 120.200 0.328 0.000 2.343 397 E HA 0.096 4.446 4.350 -0.001 0.000 0.269 397 E C -0.638 176.019 176.600 0.095 0.000 1.047 397 E CA -0.642 55.672 56.400 -0.143 0.000 0.874 397 E CB 0.768 30.312 29.700 -0.260 0.000 1.033 397 E HN 0.307 nan 8.360 nan 0.000 0.409 398 M N 7.260 126.804 119.600 -0.094 0.000 2.474 398 M HA 0.041 4.521 4.480 -0.001 0.000 0.352 398 M C -2.101 174.104 176.300 -0.158 0.000 1.690 398 M CA -0.581 54.621 55.300 -0.163 0.000 1.112 398 M CB 0.707 33.193 32.600 -0.190 0.000 2.062 398 M HN 0.408 nan 8.290 nan 0.000 0.461 399 P HA 0.369 nan 4.420 nan 0.000 0.199 399 P C -0.771 176.468 177.300 -0.102 0.000 1.059 399 P CA 0.201 63.242 63.100 -0.098 0.000 0.723 399 P CB 0.493 32.153 31.700 -0.067 0.000 0.680 400 L N 0.000 121.161 121.223 -0.103 0.000 2.949 400 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 400 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 400 L CB 0.000 42.029 42.059 -0.051 0.000 0.961 400 L HN 0.000 nan 8.230 nan 0.000 0.502