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 4ubp_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKINRQQYAE SYGPTVGDEV RLADTDLWIE VEKDYTTYGD EVNFGGGKVL DATA SEQUENCE REGMGENGTY TRTENVLDLL LTNALILDYT GIYKADIGVK DGYIVGIGKG DATA SEQUENCE GNPDIMDGVT PNMIVGTATE VIAAEGKIVT AGGIDTHVHF INPDQVDVAL DATA SEQUENCE ANGITTLFGG GTGPAEGSKA TTVTPGPWNI EKMLKSTEGL PINVGILGKG DATA SEQUENCE HGSSIAPIME QIDAGAAGLX IHEDWGATPA SIDRSLTVAD EADVQVAIHS DATA SEQUENCE DTLNEAGFLE DTLRAINGRV IHSFHVEGAG GGHAPDIMAM AGHPNVLPSS DATA SEQUENCE TNPTRPFTVN TIDEHLDMLM VCHHLKQNIP EDVAFADSRI RPETIAAEDI DATA SEQUENCE LHDLGIISMM STDALAMGRA GEMVLRTWQT ADKMKKQRGP LAEEKNGSDN DATA SEQUENCE FRLKRYVSKY TINPAIAQGI AHEVGSIEEG KFADLVLWEP KFFGVKADRV DATA SEQUENCE IKGGIIAYAQ IGDPSASIPT PQPVMGRRMY GTVGDLIHDT NITFMSKSSI DATA SEQUENCE QQGVPAKLGL KRRIGTVKNC RNIGKKDMKW NDVTTDIDIN PETYEVKVDG DATA SEQUENCE EVLTCEPVKE LPMAQRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 K N 3.660 124.069 120.400 0.014 0.000 2.328 2 K HA 0.796 5.116 4.320 -0.000 0.000 0.246 2 K C -1.244 175.369 176.600 0.021 0.000 0.955 2 K CA -0.792 55.498 56.287 0.004 0.000 0.817 2 K CB 2.754 35.246 32.500 -0.013 0.000 1.208 2 K HN 0.559 nan 8.250 nan 0.000 0.432 3 I N 2.602 123.190 120.570 0.029 0.000 2.433 3 I HA 0.161 4.330 4.170 -0.000 0.000 0.292 3 I C -0.049 176.098 176.117 0.049 0.000 1.001 3 I CA -1.136 60.207 61.300 0.072 0.000 1.119 3 I CB 1.522 39.630 38.000 0.180 0.000 1.289 3 I HN 0.674 nan 8.210 nan 0.000 0.438 4 N N 6.201 124.927 118.700 0.044 0.000 2.399 4 N HA 0.140 4.880 4.740 -0.000 0.000 0.250 4 N C 0.651 176.197 175.510 0.059 0.000 1.272 4 N CA -0.226 52.840 53.050 0.027 0.000 0.928 4 N CB 0.818 39.316 38.487 0.017 0.000 1.158 4 N HN 0.430 nan 8.380 nan 0.000 0.463 5 R N -0.077 120.441 120.500 0.029 0.000 2.120 5 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 5 R C 1.591 177.954 176.300 0.105 0.000 1.123 5 R CA 1.210 57.344 56.100 0.058 0.000 0.975 5 R CB -0.481 29.823 30.300 0.007 0.000 0.866 5 R HN 0.714 nan 8.270 nan 0.000 0.446 6 Q N 1.361 121.201 119.800 0.067 0.000 2.020 6 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 6 Q C 1.984 178.021 176.000 0.062 0.000 0.982 6 Q CA 1.835 57.673 55.803 0.058 0.000 0.838 6 Q CB -0.055 28.702 28.738 0.032 0.000 0.899 6 Q HN 0.370 nan 8.270 nan 0.000 0.423 7 Q N -1.479 118.355 119.800 0.058 0.000 2.084 7 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 7 Q C 1.843 177.867 176.000 0.040 0.000 0.978 7 Q CA 1.519 57.341 55.803 0.031 0.000 0.844 7 Q CB -0.326 28.431 28.738 0.031 0.000 0.898 7 Q HN 0.475 nan 8.270 nan 0.000 0.426 8 Y N 0.978 121.300 120.300 0.037 0.000 2.097 8 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 8 Y C 2.294 178.262 175.900 0.113 0.000 1.152 8 Y CA 1.661 59.838 58.100 0.128 0.000 1.136 8 Y CB -0.412 38.103 38.460 0.091 0.000 0.975 8 Y HN 0.098 nan 8.280 nan 0.000 0.498 9 A N -0.001 122.979 122.820 0.267 0.000 1.933 9 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 9 A C 2.029 179.628 177.584 0.026 0.000 1.175 9 A CA 1.835 53.980 52.037 0.180 0.000 0.628 9 A CB -0.709 18.392 19.000 0.169 0.000 0.814 9 A HN 0.657 nan 8.150 nan 0.000 0.444 10 E N -0.177 120.010 120.200 -0.022 0.000 2.077 10 E HA -0.118 4.231 4.350 -0.000 0.000 0.193 10 E C 2.216 178.711 176.600 -0.175 0.000 0.989 10 E CA 1.479 57.835 56.400 -0.072 0.000 0.800 10 E CB -0.106 29.558 29.700 -0.059 0.000 0.746 10 E HN 0.595 nan 8.360 nan 0.000 0.452 11 S N -0.395 115.097 115.700 -0.348 0.000 2.406 11 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 11 S C 0.919 175.063 174.600 -0.761 0.000 1.030 11 S CA 0.732 58.541 58.200 -0.652 0.000 0.958 11 S CB 0.083 62.614 63.200 -1.114 0.000 0.811 11 S HN 0.286 nan 8.310 nan 0.000 0.489 12 Y N 0.823 120.975 120.300 -0.247 0.000 2.527 12 Y HA 0.468 5.018 4.550 -0.000 0.000 0.247 12 Y C 1.152 177.026 175.900 -0.043 0.000 1.138 12 Y CA -0.250 57.729 58.100 -0.202 0.000 1.228 12 Y CB 0.148 38.332 38.460 -0.460 0.000 1.252 12 Y HN 0.273 nan 8.280 nan 0.000 0.531 13 G N 1.404 110.252 108.800 0.081 0.000 2.746 13 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.685 13 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.685 13 G C -2.923 172.114 174.900 0.228 0.000 1.350 13 G CA -1.157 44.021 45.100 0.129 0.000 0.837 13 G HN -0.047 nan 8.290 nan 0.000 0.564 14 P HA 0.441 nan 4.420 nan 0.000 0.272 14 P C 0.148 177.610 177.300 0.270 0.000 1.240 14 P CA 0.385 63.617 63.100 0.220 0.000 0.791 14 P CB 1.540 33.322 31.700 0.137 0.000 0.978 15 T N -0.619 114.070 114.554 0.225 0.000 2.742 15 T HA 0.317 4.667 4.350 -0.000 0.000 0.282 15 T C -0.544 174.222 174.700 0.110 0.000 1.025 15 T CA -0.773 61.439 62.100 0.186 0.000 1.020 15 T CB 0.646 69.613 68.868 0.166 0.000 1.317 15 T HN 0.085 nan 8.240 nan 0.000 0.538 16 V N 2.190 122.165 119.914 0.101 0.000 2.584 16 V HA 0.349 4.469 4.120 -0.000 0.000 0.303 16 V C 1.921 178.041 176.094 0.044 0.000 1.035 16 V CA 1.502 63.843 62.300 0.069 0.000 1.172 16 V CB -0.094 31.762 31.823 0.054 0.000 0.896 16 V HN 1.337 nan 8.190 nan 0.000 0.486 17 G N 3.548 112.373 108.800 0.042 0.000 2.284 17 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.247 17 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.247 17 G C -0.004 174.912 174.900 0.027 0.000 1.012 17 G CA 0.122 45.238 45.100 0.026 0.000 0.618 17 G HN 0.691 nan 8.290 nan 0.000 0.521 18 D N 1.696 122.122 120.400 0.044 0.000 2.372 18 D HA 0.503 5.143 4.640 -0.000 0.000 0.243 18 D C 0.674 177.017 176.300 0.071 0.000 1.121 18 D CA 0.452 54.486 54.000 0.055 0.000 0.898 18 D CB 0.775 41.625 40.800 0.082 0.000 1.202 18 D HN 0.596 nan 8.370 nan 0.000 0.428 19 E N -0.130 120.124 120.200 0.091 0.000 2.244 19 E HA 0.607 4.956 4.350 -0.000 0.000 0.266 19 E C -0.971 175.775 176.600 0.244 0.000 0.914 19 E CA -1.040 55.459 56.400 0.165 0.000 0.794 19 E CB 2.356 32.154 29.700 0.163 0.000 1.210 19 E HN 0.047 nan 8.360 nan 0.000 0.414 20 V N 1.712 121.762 119.914 0.228 0.000 2.638 20 V HA 0.346 4.466 4.120 -0.000 0.000 0.306 20 V C -0.229 175.790 176.094 -0.124 0.000 1.052 20 V CA -0.905 61.445 62.300 0.084 0.000 0.885 20 V CB 1.812 33.610 31.823 -0.043 0.000 0.999 20 V HN 0.579 nan 8.190 nan 0.000 0.424 21 R N 3.723 123.955 120.500 -0.447 0.000 2.438 21 R HA 0.463 4.803 4.340 -0.000 0.000 0.287 21 R C -0.873 175.085 176.300 -0.570 0.000 1.077 21 R CA -0.485 55.043 56.100 -0.954 0.000 1.034 21 R CB 0.557 30.166 30.300 -1.152 0.000 0.993 21 R HN 0.699 nan 8.270 nan 0.000 0.459 22 L N 6.074 126.953 121.223 -0.574 0.000 2.283 22 L HA 0.224 4.563 4.340 -0.000 0.000 0.287 22 L C 1.169 177.875 176.870 -0.274 0.000 1.073 22 L CA 0.210 54.763 54.840 -0.478 0.000 0.822 22 L CB 0.664 42.370 42.059 -0.589 0.000 1.186 22 L HN 1.096 nan 8.230 nan 0.000 0.436 23 A N 4.114 126.836 122.820 -0.163 0.000 5.481 23 A HA -0.326 3.994 4.320 -0.000 0.000 0.318 23 A C 0.884 178.420 177.584 -0.080 0.000 1.837 23 A CA 1.520 53.513 52.037 -0.073 0.000 0.717 23 A CB -1.089 17.857 19.000 -0.091 0.000 1.349 23 A HN 0.964 nan 8.150 nan 0.000 0.388 24 D N 0.011 120.422 120.400 0.019 0.000 2.463 24 D HA 0.310 4.950 4.640 -0.000 0.000 0.224 24 D C 0.776 177.052 176.300 -0.040 0.000 1.174 24 D CA 1.062 55.058 54.000 -0.006 0.000 0.829 24 D CB -1.132 39.713 40.800 0.075 0.000 0.993 24 D HN 1.095 nan 8.370 nan 0.000 0.497 25 T N -2.624 111.875 114.554 -0.090 0.000 2.732 25 T HA 0.151 4.500 4.350 -0.000 0.000 0.287 25 T C 0.505 175.110 174.700 -0.159 0.000 0.993 25 T CA -0.424 61.623 62.100 -0.088 0.000 0.966 25 T CB 1.340 70.159 68.868 -0.081 0.000 1.047 25 T HN -0.182 nan 8.240 nan 0.000 0.527 26 D N -0.731 119.613 120.400 -0.094 0.000 2.358 26 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 26 D C -0.087 176.152 176.300 -0.101 0.000 1.123 26 D CA -0.249 53.717 54.000 -0.057 0.000 0.833 26 D CB -0.577 40.273 40.800 0.083 0.000 0.946 26 D HN 0.458 nan 8.370 nan 0.000 0.505 27 L N 0.746 121.835 121.223 -0.223 0.000 2.305 27 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 27 L C -0.626 176.014 176.870 -0.383 0.000 1.085 27 L CA -0.629 54.117 54.840 -0.157 0.000 0.813 27 L CB 0.859 42.852 42.059 -0.109 0.000 1.157 27 L HN -0.014 nan 8.230 nan 0.000 0.436 28 W N 4.915 126.173 121.300 -0.071 0.000 2.600 28 W HA 0.599 5.258 4.660 -0.000 0.000 0.325 28 W C -0.169 176.294 176.519 -0.094 0.000 1.034 28 W CA -0.530 56.763 57.345 -0.087 0.000 1.226 28 W CB 1.334 30.764 29.460 -0.051 0.000 1.379 28 W HN 0.236 nan 8.180 nan 0.000 0.466 29 I N -0.360 120.243 120.570 0.055 0.000 2.525 29 I HA 0.656 4.826 4.170 -0.000 0.000 0.301 29 I C -0.440 175.711 176.117 0.057 0.000 0.992 29 I CA -1.009 60.291 61.300 0.001 0.000 1.162 29 I CB 2.089 40.004 38.000 -0.141 0.000 1.332 29 I HN 0.426 nan 8.210 nan 0.000 0.458 30 E N 4.298 124.530 120.200 0.054 0.000 2.199 30 E HA 0.428 4.778 4.350 -0.000 0.000 0.269 30 E C -1.301 175.335 176.600 0.060 0.000 0.899 30 E CA -0.959 55.478 56.400 0.062 0.000 0.772 30 E CB 2.318 32.054 29.700 0.059 0.000 1.155 30 E HN 0.622 nan 8.360 nan 0.000 0.408 31 V N 5.104 125.059 119.914 0.068 0.000 2.425 31 V HA -0.039 4.080 4.120 -0.000 0.000 0.276 31 V C 0.948 177.098 176.094 0.094 0.000 1.017 31 V CA 0.674 63.028 62.300 0.090 0.000 1.062 31 V CB 0.593 32.476 31.823 0.100 0.000 0.997 31 V HN 0.850 nan 8.190 nan 0.000 0.476 32 E N 3.800 124.071 120.200 0.120 0.000 2.158 32 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 32 E C 0.609 177.249 176.600 0.065 0.000 0.982 32 E CA 0.732 57.190 56.400 0.096 0.000 0.823 32 E CB 0.263 30.032 29.700 0.115 0.000 0.766 32 E HN 0.836 nan 8.360 nan 0.000 0.468 33 K N -0.463 119.990 120.400 0.088 0.000 2.578 33 K HA 0.403 4.723 4.320 -0.000 0.000 0.287 33 K C -1.797 174.836 176.600 0.055 0.000 1.010 33 K CA -0.934 55.352 56.287 -0.003 0.000 0.889 33 K CB 1.862 34.282 32.500 -0.133 0.000 1.514 33 K HN -0.238 nan 8.250 nan 0.000 0.424 34 D N 0.221 120.582 120.400 -0.065 0.000 2.970 34 D HA 0.253 4.892 4.640 -0.000 0.000 0.230 34 D C -0.908 175.315 176.300 -0.129 0.000 1.276 34 D CA -0.480 53.534 54.000 0.024 0.000 0.910 34 D CB 1.173 41.996 40.800 0.038 0.000 1.590 34 D HN 0.610 nan 8.370 nan 0.000 0.551 35 Y N 1.325 121.648 120.300 0.039 0.000 2.529 35 Y HA 0.087 4.637 4.550 -0.000 0.000 0.290 35 Y C 1.718 177.592 175.900 -0.042 0.000 1.177 35 Y CA 0.341 58.443 58.100 0.002 0.000 1.305 35 Y CB 0.443 38.936 38.460 0.055 0.000 1.047 35 Y HN 0.267 nan 8.280 nan 0.000 0.522 36 T N -0.212 114.360 114.554 0.030 0.000 2.726 36 T HA 0.139 4.489 4.350 -0.000 0.000 0.294 36 T C 0.204 174.804 174.700 -0.167 0.000 1.013 36 T CA -0.042 62.038 62.100 -0.035 0.000 0.996 36 T CB 0.512 69.379 68.868 -0.001 0.000 1.016 36 T HN -0.025 nan 8.240 nan 0.000 0.529 37 T N 3.175 117.659 114.554 -0.116 0.000 2.842 37 T HA 0.365 4.715 4.350 -0.000 0.000 0.308 37 T C -1.106 173.563 174.700 -0.051 0.000 1.041 37 T CA -0.270 61.757 62.100 -0.121 0.000 0.964 37 T CB -0.108 68.737 68.868 -0.039 0.000 0.972 37 T HN 0.423 nan 8.240 nan 0.000 0.460 38 Y N 1.982 122.278 120.300 -0.007 0.000 2.729 38 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 38 Y C 1.654 177.551 175.900 -0.005 0.000 1.208 38 Y CA 0.888 58.985 58.100 -0.004 0.000 1.521 38 Y CB -0.112 38.332 38.460 -0.027 0.000 1.233 38 Y HN 0.984 nan 8.280 nan 0.000 0.539 39 G N 2.364 111.248 108.800 0.140 0.000 2.238 39 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 39 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 39 G C 0.469 175.387 174.900 0.030 0.000 0.996 39 G CA 0.126 45.265 45.100 0.066 0.000 0.632 39 G HN 0.549 nan 8.290 nan 0.000 0.503 40 D N 1.296 121.711 120.400 0.024 0.000 2.593 40 D HA 0.334 4.974 4.640 -0.000 0.000 0.241 40 D C 0.484 176.790 176.300 0.010 0.000 1.257 40 D CA -0.120 53.892 54.000 0.020 0.000 0.828 40 D CB 0.402 41.218 40.800 0.027 0.000 1.049 40 D HN 0.511 nan 8.370 nan 0.000 0.490 41 E N 0.200 120.377 120.200 -0.039 0.000 2.452 41 E HA 0.070 4.419 4.350 -0.000 0.000 0.261 41 E C 0.150 176.774 176.600 0.039 0.000 0.987 41 E CA 0.104 56.478 56.400 -0.043 0.000 0.926 41 E CB 0.968 30.508 29.700 -0.267 0.000 0.934 41 E HN -0.081 nan 8.360 nan 0.000 0.452 42 V N 3.005 122.963 119.914 0.074 0.000 2.649 42 V HA 0.425 4.545 4.120 -0.000 0.000 0.292 42 V C -0.048 176.128 176.094 0.137 0.000 1.055 42 V CA -0.687 61.673 62.300 0.100 0.000 1.023 42 V CB 0.630 32.509 31.823 0.093 0.000 0.992 42 V HN 0.880 nan 8.190 nan 0.000 0.480 43 N N 1.921 120.710 118.700 0.148 0.000 2.859 43 N HA 0.631 5.371 4.740 -0.000 0.000 0.250 43 N C -1.408 174.211 175.510 0.182 0.000 1.341 43 N CA -0.792 52.357 53.050 0.165 0.000 0.881 43 N CB 1.714 40.294 38.487 0.154 0.000 1.516 43 N HN 0.583 nan 8.380 nan 0.000 0.503 44 F N -0.045 119.928 119.950 0.039 0.000 2.556 44 F HA 0.907 5.434 4.527 -0.000 0.000 0.314 44 F C 0.225 176.036 175.800 0.018 0.000 1.106 44 F CA 0.530 58.546 58.000 0.027 0.000 0.911 44 F CB 1.588 40.601 39.000 0.023 0.000 1.190 44 F HN 1.052 nan 8.300 nan 0.000 0.448 45 G N 2.364 110.468 108.800 -1.161 0.000 2.362 45 G HA2 0.368 4.328 3.960 -0.000 0.000 0.288 45 G HA3 0.368 4.328 3.960 -0.000 0.000 0.288 45 G C -0.774 173.834 174.900 -0.487 0.000 1.305 45 G CA -0.425 44.194 45.100 -0.802 0.000 0.910 45 G HN 1.125 nan 8.290 nan 0.000 0.518 46 G N -0.728 107.901 108.800 -0.286 0.000 2.343 46 G HA2 0.542 4.502 3.960 -0.000 0.000 0.254 46 G HA3 0.542 4.502 3.960 -0.000 0.000 0.254 46 G C 1.466 176.287 174.900 -0.131 0.000 1.277 46 G CA 1.723 46.718 45.100 -0.175 0.000 0.909 46 G HN 2.445 nan 8.290 nan 0.000 0.502 47 G N 1.429 110.167 108.800 -0.102 0.000 2.166 47 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 47 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 47 G C 0.671 175.536 174.900 -0.058 0.000 0.986 47 G CA 0.961 46.022 45.100 -0.065 0.000 0.683 47 G HN 0.763 nan 8.290 nan 0.000 0.527 48 K N -0.988 119.357 120.400 -0.091 0.000 2.419 48 K HA 0.586 4.906 4.320 -0.000 0.000 0.246 48 K C 1.643 178.233 176.600 -0.017 0.000 1.037 48 K CA -0.291 55.962 56.287 -0.056 0.000 0.982 48 K CB 0.918 33.362 32.500 -0.094 0.000 1.283 48 K HN -0.045 nan 8.250 nan 0.000 0.500 49 V N 0.772 120.703 119.914 0.028 0.000 2.453 49 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 49 V C 1.287 177.420 176.094 0.065 0.000 1.048 49 V CA 1.258 63.588 62.300 0.051 0.000 1.049 49 V CB -0.241 31.624 31.823 0.071 0.000 0.672 49 V HN 0.412 nan 8.190 nan 0.000 0.457 50 L N 2.399 123.682 121.223 0.099 0.000 2.423 50 L HA 0.317 4.657 4.340 -0.000 0.000 0.249 50 L C 0.186 177.141 176.870 0.143 0.000 1.276 50 L CA 0.326 55.252 54.840 0.144 0.000 1.199 50 L CB -0.470 41.725 42.059 0.226 0.000 1.407 50 L HN 0.260 nan 8.230 nan 0.000 0.410 51 R N 0.922 121.471 120.500 0.082 0.000 2.744 51 R HA 0.259 4.599 4.340 -0.000 0.000 0.279 51 R C -0.386 175.943 176.300 0.048 0.000 0.977 51 R CA -0.971 55.166 56.100 0.060 0.000 0.906 51 R CB 2.412 32.725 30.300 0.021 0.000 1.197 51 R HN 0.203 nan 8.270 nan 0.000 0.463 52 E N 1.120 121.346 120.200 0.043 0.000 2.558 52 E HA -0.074 4.276 4.350 -0.000 0.000 0.255 52 E C 0.581 177.193 176.600 0.019 0.000 0.968 52 E CA 1.683 58.102 56.400 0.030 0.000 0.939 52 E CB 0.539 30.253 29.700 0.024 0.000 0.921 52 E HN 0.827 nan 8.360 nan 0.000 0.477 53 G N 3.640 112.449 108.800 0.015 0.000 2.199 53 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 53 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 53 G C 0.631 175.542 174.900 0.017 0.000 0.982 53 G CA 0.768 45.873 45.100 0.009 0.000 0.632 53 G HN 0.525 nan 8.290 nan 0.000 0.529 54 M N -1.002 118.613 119.600 0.026 0.000 2.315 54 M HA 0.511 4.991 4.480 -0.000 0.000 0.212 54 M C 2.413 178.739 176.300 0.042 0.000 1.408 54 M CA 0.605 55.923 55.300 0.031 0.000 1.875 54 M CB -0.480 32.137 32.600 0.028 0.000 1.110 54 M HN 0.106 nan 8.290 nan 0.000 0.905 55 G N 0.243 109.073 108.800 0.051 0.000 2.471 55 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 55 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 55 G C 0.388 175.330 174.900 0.070 0.000 1.125 55 G CA 0.284 45.421 45.100 0.062 0.000 0.775 55 G HN 0.576 nan 8.290 nan 0.000 0.548 56 E N 0.963 121.205 120.200 0.070 0.000 2.146 56 E HA 0.148 4.498 4.350 -0.000 0.000 0.282 56 E C -0.395 176.239 176.600 0.057 0.000 0.989 56 E CA -0.835 55.608 56.400 0.071 0.000 0.799 56 E CB 0.384 30.131 29.700 0.078 0.000 1.088 56 E HN 0.134 nan 8.360 nan 0.000 0.397 57 N N 3.114 121.854 118.700 0.068 0.000 2.513 57 N HA 0.038 4.778 4.740 -0.000 0.000 0.268 57 N C 0.292 175.815 175.510 0.021 0.000 1.180 57 N CA 0.346 53.429 53.050 0.054 0.000 0.948 57 N CB 1.361 39.925 38.487 0.128 0.000 1.083 57 N HN 0.702 nan 8.380 nan 0.000 0.455 58 G N 1.770 110.554 108.800 -0.027 0.000 3.126 58 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.224 58 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.224 58 G C 0.928 175.778 174.900 -0.085 0.000 1.142 58 G CA 0.139 45.217 45.100 -0.036 0.000 0.759 58 G HN 0.601 nan 8.290 nan 0.000 0.550 59 T N -0.136 114.306 114.554 -0.185 0.000 3.004 59 T HA 0.163 4.513 4.350 -0.000 0.000 0.243 59 T C 0.292 174.822 174.700 -0.284 0.000 1.020 59 T CA 0.256 62.163 62.100 -0.323 0.000 1.145 59 T CB 0.001 68.495 68.868 -0.623 0.000 0.876 59 T HN 0.114 nan 8.240 nan 0.000 0.449 60 Y N 3.284 123.591 120.300 0.012 0.000 2.319 60 Y HA 0.358 4.908 4.550 -0.000 0.000 0.328 60 Y C 1.452 177.359 175.900 0.010 0.000 1.133 60 Y CA -1.434 56.673 58.100 0.011 0.000 1.265 60 Y CB -0.018 38.449 38.460 0.012 0.000 1.218 60 Y HN 0.111 nan 8.280 nan 0.000 0.508 61 T N -0.623 114.044 114.554 0.189 0.000 2.701 61 T HA 0.122 4.471 4.350 -0.000 0.000 0.303 61 T C 1.444 176.202 174.700 0.096 0.000 1.030 61 T CA -0.565 61.599 62.100 0.106 0.000 1.010 61 T CB 0.754 69.668 68.868 0.078 0.000 1.007 61 T HN 0.807 nan 8.240 nan 0.000 0.532 62 R N 0.048 120.583 120.500 0.060 0.000 2.105 62 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 62 R C 2.426 178.745 176.300 0.032 0.000 1.135 62 R CA 2.096 58.222 56.100 0.044 0.000 0.967 62 R CB -1.131 29.188 30.300 0.031 0.000 0.861 62 R HN 0.935 nan 8.270 nan 0.000 0.442 63 T N -1.941 112.631 114.554 0.030 0.000 3.035 63 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 63 T C 0.510 175.207 174.700 -0.005 0.000 1.109 63 T CA 0.736 62.844 62.100 0.014 0.000 1.119 63 T CB -0.053 68.823 68.868 0.014 0.000 0.900 63 T HN 0.347 nan 8.240 nan 0.000 0.503 64 E N 2.286 122.485 120.200 -0.002 0.000 2.122 64 E HA 0.246 4.596 4.350 -0.000 0.000 0.288 64 E C -0.187 176.320 176.600 -0.156 0.000 1.260 64 E CA -0.521 55.832 56.400 -0.078 0.000 1.344 64 E CB -0.206 29.471 29.700 -0.039 0.000 1.337 64 E HN 0.245 nan 8.360 nan 0.000 0.484 65 N N -0.021 118.615 118.700 -0.107 0.000 2.741 65 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 65 N C -0.732 174.749 175.510 -0.049 0.000 1.112 65 N CA 0.592 53.583 53.050 -0.097 0.000 0.750 65 N CB -1.038 37.344 38.487 -0.175 0.000 1.119 65 N HN 0.148 nan 8.380 nan 0.000 0.561 66 V N 1.318 121.226 119.914 -0.009 0.000 2.539 66 V HA 0.410 4.530 4.120 -0.000 0.000 0.292 66 V C 1.016 177.121 176.094 0.019 0.000 1.045 66 V CA -0.653 61.663 62.300 0.026 0.000 0.945 66 V CB 1.965 33.825 31.823 0.062 0.000 0.993 66 V HN 0.068 nan 8.190 nan 0.000 0.464 67 L N 2.800 124.035 121.223 0.020 0.000 2.399 67 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 67 L C 1.025 177.901 176.870 0.009 0.000 1.114 67 L CA -0.469 54.379 54.840 0.014 0.000 0.804 67 L CB 0.698 42.763 42.059 0.011 0.000 1.146 67 L HN 0.609 nan 8.230 nan 0.000 0.451 68 D N 0.846 121.249 120.400 0.005 0.000 2.234 68 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 68 D C -0.065 176.222 176.300 -0.022 0.000 0.962 68 D CA 1.122 55.119 54.000 -0.005 0.000 0.855 68 D CB 0.475 41.274 40.800 -0.002 0.000 0.951 68 D HN 0.105 nan 8.370 nan 0.000 0.500 69 L N 0.124 121.334 121.223 -0.022 0.000 2.513 69 L HA 0.450 4.790 4.340 -0.000 0.000 0.261 69 L C -2.186 174.671 176.870 -0.023 0.000 0.945 69 L CA -0.917 53.902 54.840 -0.036 0.000 0.848 69 L CB 2.196 44.228 42.059 -0.044 0.000 1.334 69 L HN -0.228 nan 8.230 nan 0.000 0.407 70 L N 4.672 125.879 121.223 -0.026 0.000 2.376 70 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 70 L C -1.606 175.259 176.870 -0.009 0.000 0.987 70 L CA -0.267 54.568 54.840 -0.008 0.000 0.828 70 L CB 1.658 43.722 42.059 0.008 0.000 1.249 70 L HN 0.608 nan 8.230 nan 0.000 0.409 71 L N 4.545 125.769 121.223 0.000 0.000 2.261 71 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 71 L C 0.499 177.388 176.870 0.032 0.000 1.059 71 L CA 0.076 54.922 54.840 0.009 0.000 0.816 71 L CB 1.163 43.227 42.059 0.007 0.000 1.191 71 L HN 0.751 nan 8.230 nan 0.000 0.431 72 T N 0.022 114.605 114.554 0.049 0.000 2.856 72 T HA 0.293 4.642 4.350 -0.000 0.000 0.292 72 T C 0.561 175.313 174.700 0.086 0.000 0.980 72 T CA -0.701 61.444 62.100 0.075 0.000 1.091 72 T CB 0.586 69.513 68.868 0.098 0.000 0.936 72 T HN 0.595 nan 8.240 nan 0.000 0.503 73 N N -0.196 118.565 118.700 0.101 0.000 2.758 73 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 73 N C 0.008 175.577 175.510 0.098 0.000 1.076 73 N CA 0.798 53.922 53.050 0.123 0.000 0.696 73 N CB -1.665 36.913 38.487 0.153 0.000 0.979 73 N HN 1.132 nan 8.380 nan 0.000 0.550 74 A N 0.241 123.102 122.820 0.067 0.000 2.354 74 A HA 0.491 4.810 4.320 -0.000 0.000 0.269 74 A C 0.567 178.158 177.584 0.012 0.000 1.109 74 A CA -0.433 51.627 52.037 0.038 0.000 0.800 74 A CB 0.640 19.645 19.000 0.009 0.000 1.045 74 A HN 0.311 nan 8.150 nan 0.000 0.489 75 L N 4.373 125.602 121.223 0.010 0.000 2.288 75 L HA 0.429 4.769 4.340 -0.000 0.000 0.283 75 L C -0.420 176.397 176.870 -0.088 0.000 1.072 75 L CA -0.088 54.734 54.840 -0.030 0.000 0.862 75 L CB -0.436 41.620 42.059 -0.006 0.000 1.245 75 L HN 0.552 nan 8.230 nan 0.000 0.432 76 I N 5.266 125.699 120.570 -0.230 0.000 2.496 76 I HA 0.151 4.321 4.170 -0.000 0.000 0.285 76 I C -0.158 175.845 176.117 -0.191 0.000 1.080 76 I CA 0.074 61.212 61.300 -0.270 0.000 1.404 76 I CB 0.951 38.580 38.000 -0.618 0.000 1.403 76 I HN 0.485 nan 8.210 nan 0.000 0.539 77 L N 6.841 128.029 121.223 -0.059 0.000 2.345 77 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 77 L C -1.506 175.409 176.870 0.075 0.000 0.999 77 L CA -0.098 54.734 54.840 -0.013 0.000 0.849 77 L CB 1.260 43.283 42.059 -0.060 0.000 1.220 77 L HN 0.662 nan 8.230 nan 0.000 0.422 78 D N 1.083 121.531 120.400 0.081 0.000 2.599 78 D HA 0.153 4.792 4.640 -0.000 0.000 0.252 78 D C 0.315 176.704 176.300 0.148 0.000 1.232 78 D CA -0.402 53.674 54.000 0.125 0.000 0.819 78 D CB 1.092 41.949 40.800 0.095 0.000 1.401 78 D HN 0.417 nan 8.370 nan 0.000 0.429 79 Y N -0.100 120.294 120.300 0.156 0.000 2.333 79 Y HA -0.066 4.484 4.550 -0.000 0.000 0.290 79 Y C 1.771 177.916 175.900 0.408 0.000 1.144 79 Y CA 1.888 60.158 58.100 0.284 0.000 1.228 79 Y CB -1.176 37.477 38.460 0.323 0.000 0.985 79 Y HN 0.308 nan 8.280 nan 0.000 0.542 80 T N -2.654 111.624 114.554 -0.459 0.000 3.055 80 T HA 0.477 4.827 4.350 -0.000 0.000 0.265 80 T C 0.943 175.681 174.700 0.064 0.000 1.111 80 T CA 0.426 62.326 62.100 -0.334 0.000 1.118 80 T CB -0.449 68.187 68.868 -0.387 0.000 0.909 80 T HN 0.855 nan 8.240 nan 0.000 0.501 81 G N 0.137 109.046 108.800 0.181 0.000 2.339 81 G HA2 0.402 4.362 3.960 -0.000 0.000 0.302 81 G HA3 0.402 4.362 3.960 -0.000 0.000 0.302 81 G C -1.960 173.124 174.900 0.307 0.000 1.425 81 G CA -1.125 44.141 45.100 0.277 0.000 0.899 81 G HN 0.316 nan 8.290 nan 0.000 0.619 82 I N 2.030 122.762 120.570 0.269 0.000 2.437 82 I HA 0.555 4.725 4.170 -0.000 0.000 0.279 82 I C -0.452 175.807 176.117 0.237 0.000 1.028 82 I CA -0.707 60.674 61.300 0.135 0.000 1.142 82 I CB 0.990 39.018 38.000 0.047 0.000 1.266 82 I HN 0.690 nan 8.210 nan 0.000 0.461 83 Y N 3.840 124.183 120.300 0.071 0.000 2.689 83 Y HA 0.695 5.245 4.550 -0.000 0.000 0.333 83 Y C -1.350 174.627 175.900 0.128 0.000 1.208 83 Y CA -1.700 56.462 58.100 0.103 0.000 1.055 83 Y CB 0.950 39.495 38.460 0.143 0.000 1.304 83 Y HN 0.215 nan 8.280 nan 0.000 0.455 84 K N 1.704 122.263 120.400 0.265 0.000 2.185 84 K HA 0.902 5.221 4.320 -0.000 0.000 0.269 84 K C -1.238 175.563 176.600 0.334 0.000 0.987 84 K CA -0.022 56.380 56.287 0.192 0.000 0.865 84 K CB 1.301 33.923 32.500 0.204 0.000 1.090 84 K HN 1.152 nan 8.250 nan 0.000 0.450 85 A N 3.121 126.058 122.820 0.195 0.000 2.601 85 A HA 0.443 4.763 4.320 -0.000 0.000 0.291 85 A C -1.681 175.960 177.584 0.095 0.000 1.075 85 A CA -0.954 51.209 52.037 0.211 0.000 0.671 85 A CB 0.838 19.961 19.000 0.204 0.000 1.277 85 A HN 0.675 nan 8.150 nan 0.000 0.417 86 D N 0.491 120.936 120.400 0.076 0.000 2.264 86 D HA 0.569 5.208 4.640 -0.000 0.000 0.249 86 D C -0.478 175.830 176.300 0.014 0.000 1.070 86 D CA 0.469 54.497 54.000 0.046 0.000 0.912 86 D CB 1.252 42.081 40.800 0.050 0.000 1.193 86 D HN 0.420 nan 8.370 nan 0.000 0.427 87 I N 0.692 121.269 120.570 0.011 0.000 2.436 87 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 87 I C 0.593 176.711 176.117 0.002 0.000 1.010 87 I CA -0.759 60.541 61.300 0.001 0.000 1.098 87 I CB 2.144 40.145 38.000 0.001 0.000 1.266 87 I HN 0.205 nan 8.210 nan 0.000 0.434 88 G N 5.500 114.301 108.800 0.002 0.000 2.416 88 G HA2 0.644 4.604 3.960 -0.000 0.000 0.324 88 G HA3 0.644 4.604 3.960 -0.000 0.000 0.324 88 G C -0.986 173.920 174.900 0.010 0.000 1.194 88 G CA -0.358 44.745 45.100 0.005 0.000 0.922 88 G HN 0.329 nan 8.290 nan 0.000 0.467 89 V N 1.775 121.691 119.914 0.004 0.000 2.680 89 V HA 0.733 4.852 4.120 -0.000 0.000 0.309 89 V C -0.085 176.020 176.094 0.018 0.000 1.052 89 V CA -0.840 61.464 62.300 0.007 0.000 0.908 89 V CB 2.007 33.812 31.823 -0.030 0.000 1.001 89 V HN 0.820 nan 8.190 nan 0.000 0.431 90 K N 2.110 122.539 120.400 0.049 0.000 2.557 90 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 90 K C -0.903 175.761 176.600 0.107 0.000 0.933 90 K CA -0.509 55.812 56.287 0.057 0.000 0.820 90 K CB 1.562 34.089 32.500 0.046 0.000 1.330 90 K HN 0.741 nan 8.250 nan 0.000 0.432 91 D N 2.571 123.028 120.400 0.095 0.000 2.911 91 D HA -0.195 4.445 4.640 -0.000 0.000 0.227 91 D C 0.562 177.006 176.300 0.240 0.000 1.164 91 D CA 1.872 55.958 54.000 0.144 0.000 0.782 91 D CB -0.961 39.920 40.800 0.135 0.000 1.094 91 D HN 1.102 nan 8.370 nan 0.000 0.425 92 G N -1.252 107.618 108.800 0.116 0.000 2.179 92 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.260 92 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.260 92 G C -0.010 174.774 174.900 -0.192 0.000 0.977 92 G CA 0.693 45.768 45.100 -0.042 0.000 0.641 92 G HN 0.458 nan 8.290 nan 0.000 0.533 93 Y N -0.575 119.720 120.300 -0.008 0.000 2.549 93 Y HA 0.673 5.223 4.550 -0.000 0.000 0.339 93 Y C 0.986 176.891 175.900 0.008 0.000 1.053 93 Y CA -1.285 56.839 58.100 0.041 0.000 1.105 93 Y CB 1.153 39.684 38.460 0.117 0.000 1.258 93 Y HN 0.083 nan 8.280 nan 0.000 0.478 94 I N 3.023 123.683 120.570 0.149 0.000 2.505 94 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 94 I C 0.892 177.085 176.117 0.126 0.000 1.104 94 I CA 0.120 61.479 61.300 0.099 0.000 1.387 94 I CB 0.360 38.409 38.000 0.082 0.000 1.404 94 I HN 0.595 nan 8.210 nan 0.000 0.528 95 V N 2.795 122.758 119.914 0.083 0.000 3.621 95 V HA 0.524 4.643 4.120 -0.000 0.000 0.263 95 V C 0.708 176.822 176.094 0.033 0.000 1.272 95 V CA 0.356 62.694 62.300 0.064 0.000 1.080 95 V CB 0.222 32.077 31.823 0.053 0.000 0.816 95 V HN 0.730 nan 8.190 nan 0.000 0.451 96 G N 0.295 109.107 108.800 0.020 0.000 2.753 96 G HA2 0.705 4.665 3.960 -0.000 0.000 0.297 96 G HA3 0.705 4.665 3.960 -0.000 0.000 0.297 96 G C -1.550 173.335 174.900 -0.025 0.000 1.430 96 G CA -0.619 44.477 45.100 -0.007 0.000 1.040 96 G HN 0.183 nan 8.290 nan 0.000 0.530 97 I N 2.250 122.779 120.570 -0.069 0.000 2.410 97 I HA 0.738 4.907 4.170 -0.000 0.000 0.286 97 I C 0.723 176.668 176.117 -0.287 0.000 1.009 97 I CA -0.127 61.102 61.300 -0.117 0.000 1.111 97 I CB 1.833 39.792 38.000 -0.068 0.000 1.262 97 I HN 0.882 nan 8.210 nan 0.000 0.443 98 G N 5.594 114.249 108.800 -0.242 0.000 2.570 98 G HA2 0.130 4.090 3.960 -0.000 0.000 0.072 98 G HA3 0.130 4.090 3.960 -0.000 0.000 0.072 98 G C -1.468 173.430 174.900 -0.004 0.000 1.030 98 G CA -0.373 44.576 45.100 -0.251 0.000 1.277 98 G HN 0.346 nan 8.290 nan 0.000 0.559 99 K N 1.154 121.576 120.400 0.037 0.000 2.545 99 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 99 K C -0.192 176.434 176.600 0.045 0.000 0.948 99 K CA -0.058 56.267 56.287 0.065 0.000 0.827 99 K CB 1.193 33.743 32.500 0.084 0.000 1.128 99 K HN 0.818 nan 8.250 nan 0.000 0.429 100 G N 1.088 109.916 108.800 0.046 0.000 2.477 100 G HA2 0.718 4.678 3.960 -0.000 0.000 0.304 100 G HA3 0.718 4.678 3.960 -0.000 0.000 0.304 100 G C 0.019 174.950 174.900 0.052 0.000 1.175 100 G CA 0.184 45.309 45.100 0.043 0.000 0.907 100 G HN 0.817 nan 8.290 nan 0.000 0.509 101 G N 0.118 108.951 108.800 0.054 0.000 2.366 101 G HA2 0.208 4.167 3.960 -0.000 0.000 0.190 101 G HA3 0.208 4.167 3.960 -0.000 0.000 0.190 101 G C -1.416 173.524 174.900 0.067 0.000 1.299 101 G CA -0.299 44.837 45.100 0.061 0.000 1.056 101 G HN 1.017 nan 8.290 nan 0.000 0.468 102 N N 1.158 119.898 118.700 0.067 0.000 2.448 102 N HA 0.626 5.366 4.740 -0.000 0.000 0.279 102 N C -1.920 173.634 175.510 0.073 0.000 1.025 102 N CA -2.159 50.938 53.050 0.078 0.000 0.898 102 N CB 2.681 41.210 38.487 0.070 0.000 1.303 102 N HN 0.032 nan 8.380 nan 0.000 0.495 103 P HA 0.021 nan 4.420 nan 0.000 0.230 103 P C 0.335 177.679 177.300 0.074 0.000 1.158 103 P CA 0.601 63.746 63.100 0.075 0.000 0.769 103 P CB 0.516 32.265 31.700 0.081 0.000 0.807 104 D N 0.085 120.532 120.400 0.078 0.000 2.106 104 D HA -0.155 4.485 4.640 -0.000 0.000 0.191 104 D C 1.733 178.058 176.300 0.042 0.000 0.997 104 D CA 1.492 55.525 54.000 0.056 0.000 0.834 104 D CB -0.244 40.579 40.800 0.038 0.000 0.956 104 D HN 0.356 nan 8.370 nan 0.000 0.448 105 I N -4.623 115.972 120.570 0.041 0.000 4.439 105 I HA 0.259 4.429 4.170 -0.000 0.000 0.331 105 I C 0.250 176.388 176.117 0.034 0.000 1.345 105 I CA -0.245 61.075 61.300 0.034 0.000 1.193 105 I CB 0.374 38.393 38.000 0.030 0.000 1.221 105 I HN -0.256 nan 8.210 nan 0.000 0.429 106 M N 1.669 121.292 119.600 0.038 0.000 2.508 106 M HA 0.434 4.914 4.480 -0.000 0.000 0.327 106 M C -1.001 175.318 176.300 0.032 0.000 1.160 106 M CA -0.551 54.771 55.300 0.036 0.000 0.980 106 M CB 1.638 34.262 32.600 0.040 0.000 1.693 106 M HN -0.050 nan 8.290 nan 0.000 0.452 107 D N 0.715 121.131 120.400 0.026 0.000 2.283 107 D HA 0.395 5.034 4.640 -0.000 0.000 0.248 107 D C 0.880 177.192 176.300 0.020 0.000 1.072 107 D CA 0.644 54.657 54.000 0.021 0.000 0.929 107 D CB 1.257 42.066 40.800 0.015 0.000 1.182 107 D HN 0.895 nan 8.370 nan 0.000 0.433 108 G N 0.369 109.181 108.800 0.020 0.000 2.198 108 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 108 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 108 G C 0.183 175.105 174.900 0.036 0.000 1.025 108 G CA 0.171 45.285 45.100 0.023 0.000 0.769 108 G HN 0.413 nan 8.290 nan 0.000 0.507 109 V N 1.234 121.169 119.914 0.034 0.000 2.488 109 V HA 0.358 4.477 4.120 -0.000 0.000 0.277 109 V C 1.293 177.405 176.094 0.030 0.000 1.046 109 V CA 0.222 62.544 62.300 0.037 0.000 0.986 109 V CB 1.233 33.079 31.823 0.039 0.000 0.989 109 V HN 0.375 nan 8.190 nan 0.000 0.475 110 T N 9.070 123.641 114.554 0.029 0.000 2.902 110 T HA 0.076 4.426 4.350 -0.000 0.000 0.301 110 T C -1.465 173.237 174.700 0.005 0.000 1.012 110 T CA -0.406 61.704 62.100 0.016 0.000 1.151 110 T CB 0.960 69.830 68.868 0.004 0.000 0.946 110 T HN 0.561 nan 8.240 nan 0.000 0.542 111 P HA -0.080 nan 4.420 nan 0.000 0.219 111 P C 1.073 178.351 177.300 -0.036 0.000 1.146 111 P CA 0.799 63.887 63.100 -0.020 0.000 0.808 111 P CB 0.097 31.783 31.700 -0.023 0.000 0.779 112 N N -1.527 117.157 118.700 -0.026 0.000 2.279 112 N HA 0.075 4.814 4.740 -0.000 0.000 0.226 112 N C 0.326 175.828 175.510 -0.014 0.000 1.126 112 N CA 0.076 53.108 53.050 -0.029 0.000 0.846 112 N CB -0.501 37.973 38.487 -0.021 0.000 1.050 112 N HN 0.176 nan 8.380 nan 0.000 0.502 113 M N 0.910 120.506 119.600 -0.005 0.000 2.959 113 M HA 0.377 4.857 4.480 -0.000 0.000 0.337 113 M C -0.477 175.835 176.300 0.021 0.000 1.220 113 M CA -0.285 55.020 55.300 0.008 0.000 0.893 113 M CB 0.539 33.144 32.600 0.008 0.000 1.322 113 M HN -0.051 nan 8.290 nan 0.000 0.519 114 I N 0.884 121.466 120.570 0.020 0.000 2.441 114 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 114 I C 0.164 176.313 176.117 0.054 0.000 1.049 114 I CA -0.607 60.721 61.300 0.048 0.000 1.381 114 I CB 1.080 39.119 38.000 0.066 0.000 1.409 114 I HN -0.083 nan 8.210 nan 0.000 0.523 115 V N 6.649 126.600 119.914 0.062 0.000 2.427 115 V HA 0.433 4.553 4.120 -0.000 0.000 0.268 115 V C 0.794 176.931 176.094 0.072 0.000 1.046 115 V CA 0.056 62.392 62.300 0.059 0.000 0.970 115 V CB 0.438 32.299 31.823 0.063 0.000 1.001 115 V HN 0.996 nan 8.190 nan 0.000 0.476 116 G N 2.892 111.731 108.800 0.064 0.000 3.176 116 G HA2 0.393 4.353 3.960 -0.000 0.000 0.272 116 G HA3 0.393 4.353 3.960 -0.000 0.000 0.272 116 G C 0.730 175.659 174.900 0.049 0.000 1.349 116 G CA 0.219 45.362 45.100 0.071 0.000 0.953 116 G HN 0.439 nan 8.290 nan 0.000 0.559 117 T N 0.979 115.560 114.554 0.044 0.000 2.803 117 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 117 T C 2.384 177.096 174.700 0.020 0.000 1.052 117 T CA 1.948 64.066 62.100 0.030 0.000 1.136 117 T CB -0.268 68.615 68.868 0.025 0.000 0.864 117 T HN 0.658 nan 8.240 nan 0.000 0.467 118 A N 1.031 123.865 122.820 0.023 0.000 2.235 118 A HA 0.189 4.509 4.320 -0.000 0.000 0.208 118 A C 1.057 178.640 177.584 -0.001 0.000 1.172 118 A CA 0.214 52.258 52.037 0.012 0.000 0.786 118 A CB -0.243 18.769 19.000 0.019 0.000 0.804 118 A HN 0.384 nan 8.150 nan 0.000 0.479 119 T N 0.880 115.433 114.554 -0.002 0.000 2.767 119 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 119 T C -0.289 174.376 174.700 -0.058 0.000 0.973 119 T CA -0.368 61.721 62.100 -0.019 0.000 0.996 119 T CB 1.513 70.380 68.868 -0.001 0.000 0.927 119 T HN 0.421 nan 8.240 nan 0.000 0.456 120 E N 2.359 122.512 120.200 -0.078 0.000 2.319 120 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 120 E C -1.141 175.366 176.600 -0.154 0.000 1.050 120 E CA -0.568 55.752 56.400 -0.133 0.000 0.878 120 E CB 0.808 30.443 29.700 -0.109 0.000 1.066 120 E HN 0.329 nan 8.360 nan 0.000 0.406 121 V N 4.837 124.596 119.914 -0.259 0.000 2.588 121 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 121 V C -0.254 175.729 176.094 -0.184 0.000 1.042 121 V CA -0.662 61.501 62.300 -0.228 0.000 0.877 121 V CB 1.541 33.169 31.823 -0.324 0.000 0.996 121 V HN 0.645 nan 8.190 nan 0.000 0.425 122 I N 3.632 124.151 120.570 -0.085 0.000 2.389 122 I HA 0.606 4.775 4.170 -0.000 0.000 0.288 122 I C 0.463 176.582 176.117 0.003 0.000 0.999 122 I CA -0.619 60.655 61.300 -0.044 0.000 1.129 122 I CB 1.854 39.832 38.000 -0.036 0.000 1.288 122 I HN 0.708 nan 8.210 nan 0.000 0.444 123 A N 4.895 127.734 122.820 0.031 0.000 2.347 123 A HA 0.594 4.913 4.320 -0.000 0.000 0.287 123 A C 0.796 178.411 177.584 0.052 0.000 1.199 123 A CA -0.089 51.987 52.037 0.064 0.000 0.851 123 A CB 0.479 19.532 19.000 0.087 0.000 1.118 123 A HN 0.906 nan 8.150 nan 0.000 0.525 124 A N 2.776 125.630 122.820 0.057 0.000 2.390 124 A HA 0.256 4.576 4.320 -0.000 0.000 0.232 124 A C 0.719 178.345 177.584 0.070 0.000 1.233 124 A CA -0.173 51.899 52.037 0.058 0.000 0.907 124 A CB -0.131 18.900 19.000 0.051 0.000 0.967 124 A HN 0.825 nan 8.150 nan 0.000 0.512 125 E N 0.205 120.450 120.200 0.074 0.000 2.558 125 E HA 0.236 4.586 4.350 -0.000 0.000 0.255 125 E C 0.889 177.523 176.600 0.057 0.000 0.968 125 E CA 0.663 57.108 56.400 0.074 0.000 0.939 125 E CB -0.125 29.611 29.700 0.061 0.000 0.921 125 E HN 0.967 nan 8.360 nan 0.000 0.477 126 G N 2.856 111.694 108.800 0.063 0.000 2.176 126 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 126 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 126 G C -0.019 174.924 174.900 0.072 0.000 0.979 126 G CA 0.380 45.513 45.100 0.056 0.000 0.641 126 G HN 0.487 nan 8.290 nan 0.000 0.530 127 K N 0.002 120.453 120.400 0.084 0.000 2.156 127 K HA 0.704 5.024 4.320 -0.000 0.000 0.250 127 K C 0.085 176.754 176.600 0.116 0.000 0.955 127 K CA -0.882 55.476 56.287 0.118 0.000 0.855 127 K CB 2.009 34.579 32.500 0.118 0.000 1.101 127 K HN 0.218 nan 8.250 nan 0.000 0.434 128 I N 1.691 122.367 120.570 0.177 0.000 2.331 128 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 128 I C -0.345 175.972 176.117 0.334 0.000 0.998 128 I CA -0.969 60.431 61.300 0.167 0.000 1.267 128 I CB 1.485 39.515 38.000 0.051 0.000 1.386 128 I HN 0.024 nan 8.210 nan 0.000 0.476 129 V N 5.053 125.099 119.914 0.219 0.000 2.448 129 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 129 V C 0.201 176.444 176.094 0.249 0.000 1.025 129 V CA -0.439 61.998 62.300 0.228 0.000 0.859 129 V CB 1.668 33.550 31.823 0.098 0.000 0.988 129 V HN 0.889 nan 8.190 nan 0.000 0.431 130 T N 1.737 116.515 114.554 0.372 0.000 2.916 130 T HA 0.855 5.205 4.350 -0.000 0.000 0.292 130 T C 0.071 174.942 174.700 0.285 0.000 1.064 130 T CA -0.328 61.987 62.100 0.358 0.000 1.011 130 T CB 1.905 71.105 68.868 0.553 0.000 1.152 130 T HN 1.037 nan 8.240 nan 0.000 0.510 131 A N 0.588 123.557 122.820 0.248 0.000 2.492 131 A HA 0.578 4.898 4.320 -0.000 0.000 0.236 131 A C 1.060 178.805 177.584 0.269 0.000 1.078 131 A CA -0.003 52.164 52.037 0.217 0.000 0.773 131 A CB -0.849 18.272 19.000 0.201 0.000 1.023 131 A HN 1.407 nan 8.150 nan 0.000 0.504 132 G N 0.130 109.057 108.800 0.212 0.000 2.441 132 G HA2 0.472 4.431 3.960 -0.000 0.000 0.243 132 G HA3 0.472 4.431 3.960 -0.000 0.000 0.243 132 G C 0.550 175.614 174.900 0.273 0.000 1.281 132 G CA 0.200 45.432 45.100 0.221 0.000 0.854 132 G HN 1.205 nan 8.290 nan 0.000 0.560 133 G N 0.105 109.095 108.800 0.317 0.000 2.483 133 G HA2 0.426 4.386 3.960 -0.000 0.000 0.248 133 G HA3 0.426 4.386 3.960 -0.000 0.000 0.248 133 G C -0.074 174.973 174.900 0.244 0.000 1.248 133 G CA -0.542 44.780 45.100 0.370 0.000 0.838 133 G HN 0.492 nan 8.290 nan 0.000 0.566 134 I N 2.341 123.049 120.570 0.230 0.000 2.371 134 I HA 0.187 4.357 4.170 -0.000 0.000 0.282 134 I C -0.692 175.521 176.117 0.161 0.000 1.031 134 I CA -1.033 60.367 61.300 0.166 0.000 1.180 134 I CB 1.106 39.162 38.000 0.094 0.000 1.336 134 I HN 0.340 nan 8.210 nan 0.000 0.467 135 D N 4.738 125.235 120.400 0.162 0.000 2.359 135 D HA 0.211 4.851 4.640 -0.000 0.000 0.230 135 D C 1.070 177.479 176.300 0.182 0.000 1.118 135 D CA -0.144 53.940 54.000 0.139 0.000 0.844 135 D CB 1.229 42.085 40.800 0.092 0.000 1.059 135 D HN 0.577 nan 8.370 nan 0.000 0.493 136 T N 0.313 114.984 114.554 0.195 0.000 3.163 136 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 136 T C 0.605 175.443 174.700 0.231 0.000 1.056 136 T CA -0.065 62.200 62.100 0.276 0.000 0.947 136 T CB -0.426 68.633 68.868 0.319 0.000 1.016 136 T HN 0.499 nan 8.240 nan 0.000 0.554 137 H N 0.510 119.534 119.070 -0.076 0.000 2.380 137 H HA 0.585 5.141 4.556 -0.000 0.000 0.231 137 H C -1.470 173.745 175.328 -0.188 0.000 1.415 137 H CA -0.573 55.262 56.048 -0.354 0.000 1.433 137 H CB 0.301 29.592 29.762 -0.786 0.000 1.544 137 H HN 0.096 nan 8.280 nan 0.000 0.503 138 V N 3.622 123.533 119.914 -0.005 0.000 2.384 138 V HA 0.169 4.288 4.120 -0.000 0.000 0.287 138 V C 0.013 175.920 176.094 -0.312 0.000 1.020 138 V CA -0.746 61.443 62.300 -0.185 0.000 0.850 138 V CB 1.279 32.836 31.823 -0.443 0.000 0.987 138 V HN 0.703 nan 8.190 nan 0.000 0.436 139 H N 4.695 123.664 119.070 -0.169 0.000 2.652 139 H HA 0.300 4.856 4.556 -0.000 0.000 0.298 139 H C -0.854 174.366 175.328 -0.180 0.000 1.076 139 H CA -0.313 55.682 56.048 -0.088 0.000 1.360 139 H CB 0.996 30.774 29.762 0.026 0.000 1.421 139 H HN 0.492 nan 8.280 nan 0.000 0.464 140 F N 4.236 124.267 119.950 0.136 0.000 2.541 140 F HA 0.089 4.615 4.527 -0.000 0.000 0.347 140 F C 1.160 177.014 175.800 0.091 0.000 1.242 140 F CA 0.054 58.107 58.000 0.088 0.000 1.123 140 F CB -0.073 38.956 39.000 0.047 0.000 1.354 140 F HN 0.492 nan 8.300 nan 0.000 0.621 141 I N 0.818 121.511 120.570 0.205 0.000 4.197 141 I HA 0.089 4.259 4.170 -0.000 0.000 0.307 141 I C 0.160 176.340 176.117 0.106 0.000 1.236 141 I CA 0.160 61.543 61.300 0.138 0.000 1.321 141 I CB 0.501 38.557 38.000 0.093 0.000 1.309 141 I HN 0.331 nan 8.210 nan 0.000 0.450 142 N N 0.812 119.572 118.700 0.101 0.000 2.519 142 N HA 0.239 4.978 4.740 -0.000 0.000 0.291 142 N C -2.396 173.163 175.510 0.081 0.000 1.107 142 N CA -1.821 51.272 53.050 0.071 0.000 0.904 142 N CB 2.103 40.615 38.487 0.042 0.000 1.500 142 N HN -0.267 nan 8.380 nan 0.000 0.510 143 P HA -0.056 nan 4.420 nan 0.000 0.221 143 P C 0.259 177.594 177.300 0.059 0.000 1.145 143 P CA 0.990 64.136 63.100 0.077 0.000 0.795 143 P CB 0.388 32.119 31.700 0.052 0.000 0.775 144 D N -0.342 120.084 120.400 0.042 0.000 2.351 144 D HA -0.169 4.471 4.640 -0.000 0.000 0.216 144 D C 1.996 178.309 176.300 0.022 0.000 0.968 144 D CA 0.777 54.794 54.000 0.030 0.000 0.899 144 D CB -0.489 40.324 40.800 0.022 0.000 0.907 144 D HN 0.488 nan 8.370 nan 0.000 0.514 145 Q N 0.271 120.089 119.800 0.030 0.000 2.291 145 Q HA -0.068 4.272 4.340 -0.000 0.000 0.205 145 Q C 1.802 177.806 176.000 0.006 0.000 0.970 145 Q CA 0.826 56.638 55.803 0.015 0.000 0.876 145 Q CB -0.174 28.576 28.738 0.020 0.000 0.935 145 Q HN 0.114 nan 8.270 nan 0.000 0.455 146 V N 2.138 122.068 119.914 0.025 0.000 2.307 146 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 146 V C 1.599 177.647 176.094 -0.077 0.000 1.045 146 V CA 2.155 64.460 62.300 0.009 0.000 1.024 146 V CB -0.575 31.274 31.823 0.044 0.000 0.651 146 V HN 0.341 nan 8.190 nan 0.000 0.449 147 D N 0.111 120.463 120.400 -0.081 0.000 2.144 147 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 147 D C 2.153 178.308 176.300 -0.242 0.000 0.984 147 D CA 1.158 55.042 54.000 -0.193 0.000 0.834 147 D CB -0.393 40.401 40.800 -0.011 0.000 0.955 147 D HN 0.291 nan 8.370 nan 0.000 0.465 148 V N 1.283 121.134 119.914 -0.104 0.000 2.287 148 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 148 V C 2.499 178.531 176.094 -0.102 0.000 1.053 148 V CA 1.976 64.231 62.300 -0.074 0.000 1.027 148 V CB -0.862 30.941 31.823 -0.034 0.000 0.646 148 V HN 0.216 nan 8.190 nan 0.000 0.447 149 A N -0.358 122.401 122.820 -0.101 0.000 1.873 149 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 149 A C 2.217 179.715 177.584 -0.143 0.000 1.186 149 A CA 1.767 53.753 52.037 -0.084 0.000 0.616 149 A CB -0.571 18.405 19.000 -0.041 0.000 0.823 149 A HN 0.494 nan 8.150 nan 0.000 0.442 150 L N -0.675 120.387 121.223 -0.269 0.000 2.079 150 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 150 L C 3.035 179.636 176.870 -0.447 0.000 1.081 150 L CA 1.050 55.651 54.840 -0.399 0.000 0.752 150 L CB -0.507 41.135 42.059 -0.695 0.000 0.896 150 L HN 0.450 nan 8.230 nan 0.000 0.433 151 A N -0.693 121.835 122.820 -0.487 0.000 2.019 151 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 151 A C 1.904 179.447 177.584 -0.069 0.000 1.164 151 A CA 1.625 53.544 52.037 -0.196 0.000 0.644 151 A CB -0.546 18.431 19.000 -0.039 0.000 0.805 151 A HN 0.530 nan 8.150 nan 0.000 0.449 152 N N -1.052 117.621 118.700 -0.045 0.000 2.273 152 N HA 0.227 4.967 4.740 -0.000 0.000 0.231 152 N C 0.765 176.346 175.510 0.117 0.000 1.134 152 N CA 0.615 53.713 53.050 0.080 0.000 0.856 152 N CB 0.061 38.594 38.487 0.075 0.000 1.068 152 N HN 0.476 nan 8.380 nan 0.000 0.510 153 G N 1.287 110.061 108.800 -0.044 0.000 2.136 153 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 153 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 153 G C -0.031 174.924 174.900 0.092 0.000 0.989 153 G CA -0.143 44.950 45.100 -0.011 0.000 0.682 153 G HN 0.338 nan 8.290 nan 0.000 0.522 154 I N 1.294 121.889 120.570 0.042 0.000 2.365 154 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 154 I C 1.561 177.721 176.117 0.070 0.000 1.004 154 I CA 0.357 61.704 61.300 0.079 0.000 1.311 154 I CB 1.590 39.620 38.000 0.049 0.000 1.401 154 I HN 0.232 nan 8.210 nan 0.000 0.491 155 T N -0.827 113.801 114.554 0.123 0.000 3.004 155 T HA 0.184 4.534 4.350 -0.000 0.000 0.266 155 T C 0.472 175.285 174.700 0.188 0.000 0.986 155 T CA -0.065 62.116 62.100 0.134 0.000 0.902 155 T CB 0.269 69.222 68.868 0.141 0.000 1.118 155 T HN 0.489 nan 8.240 nan 0.000 0.522 156 T N 2.419 117.098 114.554 0.208 0.000 2.928 156 T HA 0.631 4.981 4.350 -0.000 0.000 0.296 156 T C -1.161 173.698 174.700 0.264 0.000 1.000 156 T CA -0.609 61.655 62.100 0.274 0.000 0.989 156 T CB 1.663 70.714 68.868 0.305 0.000 1.005 156 T HN 0.204 nan 8.240 nan 0.000 0.442 157 L N 3.563 124.962 121.223 0.294 0.000 2.319 157 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 157 L C -1.139 175.944 176.870 0.355 0.000 1.005 157 L CA -0.759 54.241 54.840 0.267 0.000 0.828 157 L CB 1.035 43.247 42.059 0.255 0.000 1.227 157 L HN 0.535 nan 8.230 nan 0.000 0.415 158 F N 1.847 121.894 119.950 0.162 0.000 2.444 158 F HA 0.807 5.333 4.527 -0.000 0.000 0.342 158 F C 0.707 176.585 175.800 0.130 0.000 1.121 158 F CA 0.053 58.163 58.000 0.183 0.000 0.997 158 F CB 1.991 41.069 39.000 0.130 0.000 1.130 158 F HN 0.539 nan 8.300 nan 0.000 0.454 159 G N 1.606 110.560 108.800 0.258 0.000 2.512 159 G HA2 0.493 4.453 3.960 -0.000 0.000 0.181 159 G HA3 0.493 4.453 3.960 -0.000 0.000 0.181 159 G C -1.042 174.015 174.900 0.262 0.000 1.173 159 G CA 0.004 45.195 45.100 0.152 0.000 0.988 159 G HN 1.037 nan 8.290 nan 0.000 0.485 160 G N -2.023 106.911 108.800 0.223 0.000 2.623 160 G HA2 0.906 4.866 3.960 -0.000 0.000 0.290 160 G HA3 0.906 4.866 3.960 -0.000 0.000 0.290 160 G C -0.264 174.854 174.900 0.364 0.000 1.437 160 G CA 0.772 46.069 45.100 0.329 0.000 0.798 160 G HN 2.458 nan 8.290 nan 0.000 0.488 161 G N -1.826 107.159 108.800 0.309 0.000 2.333 161 G HA2 0.502 4.462 3.960 -0.000 0.000 0.330 161 G HA3 0.502 4.462 3.960 -0.000 0.000 0.330 161 G C 0.120 175.135 174.900 0.192 0.000 1.465 161 G CA 0.762 46.019 45.100 0.261 0.000 0.996 161 G HN 1.849 nan 8.290 nan 0.000 0.655 162 T N -1.932 112.716 114.554 0.156 0.000 3.182 162 T HA 0.641 4.991 4.350 -0.000 0.000 0.277 162 T C 1.387 176.147 174.700 0.100 0.000 1.013 162 T CA 1.133 63.294 62.100 0.101 0.000 0.900 162 T CB 0.240 69.170 68.868 0.104 0.000 1.098 162 T HN 2.741 nan 8.240 nan 0.000 0.543 163 G N 2.595 111.473 108.800 0.129 0.000 2.447 163 G HA2 0.003 3.962 3.960 -0.000 0.000 0.220 163 G HA3 0.003 3.962 3.960 -0.000 0.000 0.220 163 G C -2.751 172.209 174.900 0.101 0.000 1.261 163 G CA -0.443 44.721 45.100 0.108 0.000 1.000 163 G HN 0.144 nan 8.290 nan 0.000 0.515 164 P HA 0.471 nan 4.420 nan 0.000 0.226 164 P C 0.334 177.665 177.300 0.051 0.000 1.758 164 P CA 0.927 64.062 63.100 0.058 0.000 0.896 164 P CB -0.055 31.669 31.700 0.041 0.000 1.784 165 A N 0.658 123.519 122.820 0.067 0.000 2.340 165 A HA 0.230 4.550 4.320 -0.000 0.000 0.268 165 A C 1.394 179.003 177.584 0.042 0.000 1.100 165 A CA -0.250 51.824 52.037 0.061 0.000 0.803 165 A CB 0.499 19.554 19.000 0.091 0.000 1.043 165 A HN -0.020 nan 8.150 nan 0.000 0.488 166 E N 1.863 122.066 120.200 0.006 0.000 2.118 166 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 166 E C 2.069 178.619 176.600 -0.084 0.000 0.992 166 E CA 2.023 58.392 56.400 -0.051 0.000 0.804 166 E CB -0.292 29.355 29.700 -0.089 0.000 0.741 166 E HN 0.848 nan 8.360 nan 0.000 0.458 167 G N -0.316 108.473 108.800 -0.019 0.000 2.421 167 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.216 167 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.216 167 G C 1.744 176.704 174.900 0.100 0.000 1.171 167 G CA 1.050 46.160 45.100 0.016 0.000 0.775 167 G HN 0.270 nan 8.290 nan 0.000 0.543 168 S N 0.331 116.123 115.700 0.154 0.000 2.387 168 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 168 S C 2.182 176.915 174.600 0.222 0.000 1.026 168 S CA 1.019 59.342 58.200 0.205 0.000 0.972 168 S CB -0.105 63.209 63.200 0.191 0.000 0.814 168 S HN 0.401 nan 8.310 nan 0.000 0.477 169 K N 1.244 121.699 120.400 0.091 0.000 2.209 169 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 169 K C 2.091 178.655 176.600 -0.059 0.000 1.048 169 K CA 1.179 57.473 56.287 0.011 0.000 0.940 169 K CB -0.162 32.325 32.500 -0.022 0.000 0.729 169 K HN 0.352 nan 8.250 nan 0.000 0.451 170 A N 0.933 123.714 122.820 -0.066 0.000 2.014 170 A HA 0.005 4.324 4.320 -0.000 0.000 0.210 170 A C 1.078 178.643 177.584 -0.032 0.000 1.188 170 A CA 0.848 52.792 52.037 -0.155 0.000 0.731 170 A CB 0.260 19.041 19.000 -0.364 0.000 0.858 170 A HN 0.336 nan 8.150 nan 0.000 0.464 171 T N -2.303 112.315 114.554 0.107 0.000 2.912 171 T HA 0.439 4.789 4.350 -0.000 0.000 0.299 171 T C -0.220 174.568 174.700 0.147 0.000 1.052 171 T CA 0.222 62.395 62.100 0.121 0.000 0.996 171 T CB 1.227 70.025 68.868 -0.117 0.000 1.070 171 T HN 0.349 nan 8.240 nan 0.000 0.465 172 T N 0.752 115.268 114.554 -0.063 0.000 4.475 172 T HA 0.502 4.852 4.350 -0.000 0.000 0.254 172 T C -0.108 174.631 174.700 0.065 0.000 1.160 172 T CA -0.491 61.488 62.100 -0.202 0.000 1.091 172 T CB -1.199 67.534 68.868 -0.225 0.000 1.377 172 T HN 0.604 nan 8.240 nan 0.000 1.057 173 V N 1.939 121.939 119.914 0.143 0.000 2.686 173 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 173 V C -0.074 176.098 176.094 0.130 0.000 1.065 173 V CA -0.828 61.558 62.300 0.144 0.000 0.894 173 V CB 2.487 34.433 31.823 0.205 0.000 1.004 173 V HN 0.690 nan 8.190 nan 0.000 0.424 174 T N 6.785 121.383 114.554 0.073 0.000 2.893 174 T HA 0.421 4.771 4.350 -0.000 0.000 0.324 174 T C -2.788 171.912 174.700 -0.000 0.000 1.082 174 T CA -1.203 60.926 62.100 0.049 0.000 0.983 174 T CB 1.440 70.320 68.868 0.021 0.000 1.005 174 T HN 0.412 nan 8.240 nan 0.000 0.475 175 P HA 0.484 nan 4.420 nan 0.000 0.287 175 P C 0.495 177.779 177.300 -0.027 0.000 1.281 175 P CA 0.359 63.406 63.100 -0.088 0.000 0.781 175 P CB 0.836 32.420 31.700 -0.194 0.000 0.903 176 G N 5.169 113.947 108.800 -0.037 0.000 2.787 176 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.685 176 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.685 176 G C -2.229 172.694 174.900 0.039 0.000 1.437 176 G CA -0.692 44.409 45.100 0.002 0.000 0.872 176 G HN 0.249 nan 8.290 nan 0.000 0.566 177 P HA -0.082 nan 4.420 nan 0.000 0.215 177 P C 1.624 178.986 177.300 0.103 0.000 1.153 177 P CA 2.137 65.271 63.100 0.057 0.000 0.853 177 P CB 0.012 31.747 31.700 0.057 0.000 0.788 178 W N 0.424 121.703 121.300 -0.036 0.000 2.407 178 W HA -0.083 4.577 4.660 -0.000 0.000 0.305 178 W C 2.007 178.506 176.519 -0.033 0.000 1.196 178 W CA 1.219 58.545 57.345 -0.032 0.000 1.311 178 W CB -0.723 28.721 29.460 -0.027 0.000 1.135 178 W HN -0.179 nan 8.180 nan 0.000 0.514 179 N N 0.685 119.536 118.700 0.251 0.000 2.166 179 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 179 N C 1.733 177.177 175.510 -0.111 0.000 1.019 179 N CA 2.107 55.187 53.050 0.051 0.000 0.856 179 N CB -0.687 37.891 38.487 0.152 0.000 0.993 179 N HN 0.292 nan 8.380 nan 0.000 0.426 180 I N 1.742 122.271 120.570 -0.068 0.000 2.179 180 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 180 I C 2.167 178.187 176.117 -0.162 0.000 1.088 180 I CA 1.176 62.416 61.300 -0.100 0.000 1.357 180 I CB -0.248 37.717 38.000 -0.059 0.000 1.051 180 I HN 0.124 nan 8.210 nan 0.000 0.409 181 E N 0.746 120.832 120.200 -0.189 0.000 2.085 181 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 181 E C 2.174 178.581 176.600 -0.321 0.000 0.994 181 E CA 1.085 57.345 56.400 -0.233 0.000 0.801 181 E CB -0.007 29.552 29.700 -0.236 0.000 0.743 181 E HN 0.314 nan 8.360 nan 0.000 0.453 182 K N 0.232 120.344 120.400 -0.480 0.000 2.026 182 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 182 K C 1.980 178.397 176.600 -0.306 0.000 1.048 182 K CA 1.121 57.110 56.287 -0.497 0.000 0.929 182 K CB -0.268 31.801 32.500 -0.719 0.000 0.713 182 K HN 0.190 nan 8.250 nan 0.000 0.439 183 M N 0.537 119.980 119.600 -0.261 0.000 2.319 183 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 183 M C 2.268 178.425 176.300 -0.238 0.000 1.068 183 M CA 1.018 56.176 55.300 -0.237 0.000 1.118 183 M CB -0.852 31.613 32.600 -0.226 0.000 1.395 183 M HN 0.038 nan 8.290 nan 0.000 0.435 184 L N -0.241 120.855 121.223 -0.211 0.000 2.083 184 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 184 L C 2.449 179.220 176.870 -0.167 0.000 1.083 184 L CA 1.232 55.963 54.840 -0.182 0.000 0.752 184 L CB -0.496 41.471 42.059 -0.154 0.000 0.899 184 L HN 0.289 nan 8.230 nan 0.000 0.433 185 K N -0.900 119.396 120.400 -0.173 0.000 2.097 185 K HA -0.129 4.190 4.320 -0.000 0.000 0.205 185 K C 2.399 178.924 176.600 -0.125 0.000 1.050 185 K CA 1.340 57.540 56.287 -0.146 0.000 0.938 185 K CB -0.187 32.219 32.500 -0.157 0.000 0.718 185 K HN 0.087 nan 8.250 nan 0.000 0.442 186 S N 0.503 116.116 115.700 -0.144 0.000 2.370 186 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 186 S C 1.833 176.367 174.600 -0.110 0.000 1.033 186 S CA 1.755 59.883 58.200 -0.120 0.000 1.011 186 S CB -0.336 62.778 63.200 -0.143 0.000 0.852 186 S HN 0.273 nan 8.310 nan 0.000 0.457 187 T N 2.275 116.738 114.554 -0.151 0.000 2.849 187 T HA -0.078 4.272 4.350 -0.000 0.000 0.270 187 T C 1.572 176.236 174.700 -0.061 0.000 1.066 187 T CA 1.211 63.228 62.100 -0.137 0.000 1.130 187 T CB -0.359 68.398 68.868 -0.186 0.000 0.864 187 T HN 0.451 nan 8.240 nan 0.000 0.481 188 E N 0.630 120.804 120.200 -0.044 0.000 2.273 188 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 188 E C 2.137 178.787 176.600 0.083 0.000 1.002 188 E CA 1.077 57.496 56.400 0.033 0.000 0.828 188 E CB -0.374 29.328 29.700 0.003 0.000 0.747 188 E HN 0.596 nan 8.360 nan 0.000 0.491 189 G N 0.044 108.859 108.800 0.026 0.000 3.233 189 G HA2 0.243 4.203 3.960 -0.000 0.000 0.234 189 G HA3 0.243 4.203 3.960 -0.000 0.000 0.234 189 G C 0.406 175.312 174.900 0.011 0.000 1.137 189 G CA -0.334 44.779 45.100 0.021 0.000 0.763 189 G HN 0.003 nan 8.290 nan 0.000 0.549 190 L N 2.064 123.292 121.223 0.009 0.000 2.272 190 L HA 0.341 4.680 4.340 -0.000 0.000 0.289 190 L C -1.958 174.933 176.870 0.036 0.000 1.032 190 L CA -2.013 52.840 54.840 0.021 0.000 0.810 190 L CB 2.287 44.354 42.059 0.014 0.000 1.205 190 L HN -0.108 nan 8.230 nan 0.000 0.422 191 P HA 0.273 nan 4.420 nan 0.000 0.220 191 P C -0.557 176.779 177.300 0.059 0.000 1.806 191 P CA 0.231 63.358 63.100 0.045 0.000 0.976 191 P CB 0.499 32.224 31.700 0.041 0.000 1.952 192 I N 0.337 120.953 120.570 0.077 0.000 2.947 192 I HA 0.275 4.445 4.170 -0.000 0.000 0.301 192 I C -1.137 175.057 176.117 0.128 0.000 1.453 192 I CA -0.910 60.453 61.300 0.105 0.000 0.984 192 I CB 2.205 40.267 38.000 0.104 0.000 1.333 192 I HN -0.189 nan 8.210 nan 0.000 0.475 193 N N 3.531 122.337 118.700 0.178 0.000 2.508 193 N HA 0.462 5.202 4.740 -0.000 0.000 0.264 193 N C -1.080 174.572 175.510 0.237 0.000 1.216 193 N CA -0.092 53.081 53.050 0.205 0.000 0.943 193 N CB 1.551 40.251 38.487 0.355 0.000 1.113 193 N HN 0.273 nan 8.380 nan 0.000 0.447 194 V N -0.622 119.404 119.914 0.186 0.000 2.971 194 V HA 0.787 4.907 4.120 -0.000 0.000 0.309 194 V C 0.219 176.295 176.094 -0.030 0.000 1.130 194 V CA -0.932 61.435 62.300 0.113 0.000 0.964 194 V CB 2.317 34.128 31.823 -0.020 0.000 1.029 194 V HN 0.790 nan 8.190 nan 0.000 0.427 195 G N 2.730 111.233 108.800 -0.495 0.000 2.662 195 G HA2 0.779 4.739 3.960 -0.000 0.000 0.302 195 G HA3 0.779 4.739 3.960 -0.000 0.000 0.302 195 G C -1.499 172.971 174.900 -0.716 0.000 1.389 195 G CA -0.517 43.924 45.100 -1.099 0.000 0.998 195 G HN 0.568 nan 8.290 nan 0.000 0.502 196 I N 1.622 121.983 120.570 -0.349 0.000 2.404 196 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 196 I C -0.271 175.829 176.117 -0.029 0.000 0.992 196 I CA -0.714 60.512 61.300 -0.123 0.000 1.149 196 I CB 2.013 39.938 38.000 -0.126 0.000 1.315 196 I HN 0.103 nan 8.210 nan 0.000 0.446 197 L N 5.428 126.682 121.223 0.052 0.000 2.289 197 L HA 0.558 4.898 4.340 -0.000 0.000 0.285 197 L C 0.786 177.678 176.870 0.036 0.000 1.049 197 L CA -0.453 54.427 54.840 0.068 0.000 0.804 197 L CB 1.253 43.370 42.059 0.097 0.000 1.195 197 L HN 0.665 nan 8.230 nan 0.000 0.428 198 G N 1.734 110.541 108.800 0.011 0.000 2.557 198 G HA2 0.205 4.165 3.960 -0.000 0.000 0.292 198 G HA3 0.205 4.165 3.960 -0.000 0.000 0.292 198 G C -0.644 174.237 174.900 -0.033 0.000 1.237 198 G CA -0.607 44.481 45.100 -0.019 0.000 0.978 198 G HN 0.570 nan 8.290 nan 0.000 0.498 199 K N 0.034 120.379 120.400 -0.091 0.000 2.349 199 K HA 0.250 4.570 4.320 -0.000 0.000 0.289 199 K C 0.853 177.419 176.600 -0.056 0.000 1.064 199 K CA -0.060 56.150 56.287 -0.127 0.000 0.947 199 K CB 0.316 32.589 32.500 -0.377 0.000 1.007 199 K HN 0.417 nan 8.250 nan 0.000 0.478 200 G N 5.484 114.265 108.800 -0.031 0.000 3.574 200 G HA2 0.054 4.014 3.960 -0.000 0.000 0.262 200 G HA3 0.054 4.014 3.960 -0.000 0.000 0.262 200 G C -0.517 174.086 174.900 -0.495 0.000 1.231 200 G CA -0.160 44.818 45.100 -0.204 0.000 1.608 200 G HN 0.680 nan 8.290 nan 0.000 0.628 201 H N -0.375 118.648 119.070 -0.078 0.000 2.771 201 H HA 0.630 5.186 4.556 -0.000 0.000 0.361 201 H C 0.221 175.513 175.328 -0.060 0.000 1.108 201 H CA -0.043 55.974 56.048 -0.052 0.000 1.201 201 H CB 2.411 32.144 29.762 -0.048 0.000 1.681 201 H HN 0.496 nan 8.280 nan 0.000 0.534 202 G N 0.116 108.952 108.800 0.060 0.000 2.350 202 G HA2 0.070 4.030 3.960 -0.000 0.000 0.305 202 G HA3 0.070 4.030 3.960 -0.000 0.000 0.305 202 G C -0.036 174.873 174.900 0.014 0.000 1.479 202 G CA -0.022 45.095 45.100 0.027 0.000 0.949 202 G HN 0.519 nan 8.290 nan 0.000 0.651 203 S N -1.479 114.228 115.700 0.011 0.000 2.540 203 S HA 0.535 5.005 4.470 -0.000 0.000 0.222 203 S C 0.754 175.353 174.600 -0.002 0.000 1.008 203 S CA 0.677 58.881 58.200 0.006 0.000 0.939 203 S CB 0.611 63.819 63.200 0.012 0.000 0.865 203 S HN 0.838 nan 8.310 nan 0.000 0.499 204 S N 1.442 117.139 115.700 -0.005 0.000 2.537 204 S HA 0.534 5.004 4.470 -0.000 0.000 0.301 204 S C 0.882 175.474 174.600 -0.013 0.000 1.092 204 S CA -0.802 57.393 58.200 -0.008 0.000 1.048 204 S CB 1.175 64.370 63.200 -0.008 0.000 1.053 204 S HN 0.093 nan 8.310 nan 0.000 0.501 205 I N 1.821 122.383 120.570 -0.014 0.000 2.252 205 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 205 I C 2.594 178.701 176.117 -0.017 0.000 1.102 205 I CA 1.338 62.628 61.300 -0.017 0.000 1.385 205 I CB -1.710 36.281 38.000 -0.015 0.000 1.064 205 I HN 0.769 nan 8.210 nan 0.000 0.414 206 A N 1.763 124.575 122.820 -0.014 0.000 1.892 206 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 206 A C 0.150 177.724 177.584 -0.016 0.000 1.188 206 A CA 1.888 53.917 52.037 -0.014 0.000 0.631 206 A CB -2.087 16.906 19.000 -0.011 0.000 0.822 206 A HN 0.297 nan 8.150 nan 0.000 0.447 207 P HA -0.116 nan 4.420 nan 0.000 0.216 207 P C 1.323 178.604 177.300 -0.031 0.000 1.150 207 P CA 0.985 64.071 63.100 -0.024 0.000 0.837 207 P CB -0.107 31.578 31.700 -0.026 0.000 0.786 208 I N -2.080 118.471 120.570 -0.031 0.000 2.235 208 I HA -0.174 3.996 4.170 -0.000 0.000 0.241 208 I C 2.351 178.450 176.117 -0.030 0.000 1.085 208 I CA 1.151 62.428 61.300 -0.038 0.000 1.378 208 I CB -0.593 37.380 38.000 -0.044 0.000 1.076 208 I HN -0.097 nan 8.210 nan 0.000 0.415 209 M N 1.629 121.215 119.600 -0.023 0.000 2.149 209 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 209 M C 2.184 178.476 176.300 -0.013 0.000 1.064 209 M CA 1.917 57.207 55.300 -0.017 0.000 1.102 209 M CB -0.632 31.960 32.600 -0.014 0.000 1.369 209 M HN 0.348 nan 8.290 nan 0.000 0.408 210 E N -1.138 119.054 120.200 -0.013 0.000 2.265 210 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 210 E C 1.735 178.330 176.600 -0.008 0.000 0.996 210 E CA 1.313 57.708 56.400 -0.009 0.000 0.832 210 E CB -0.619 29.077 29.700 -0.006 0.000 0.756 210 E HN 0.715 nan 8.360 nan 0.000 0.491 211 Q N 0.341 120.133 119.800 -0.014 0.000 2.079 211 Q HA -0.109 4.230 4.340 -0.000 0.000 0.200 211 Q C 2.290 178.283 176.000 -0.011 0.000 0.974 211 Q CA 1.133 56.927 55.803 -0.016 0.000 0.840 211 Q CB -0.025 28.698 28.738 -0.026 0.000 0.898 211 Q HN 0.358 nan 8.270 nan 0.000 0.430 212 I N 1.706 122.271 120.570 -0.008 0.000 2.127 212 I HA -0.257 3.912 4.170 -0.000 0.000 0.241 212 I C 1.632 177.750 176.117 0.001 0.000 1.075 212 I CA 1.502 62.803 61.300 0.001 0.000 1.334 212 I CB -1.223 36.779 38.000 0.003 0.000 1.040 212 I HN 0.191 nan 8.210 nan 0.000 0.405 213 D N 0.996 121.395 120.400 -0.002 0.000 2.218 213 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 213 D C 2.144 178.440 176.300 -0.007 0.000 0.976 213 D CA 1.328 55.326 54.000 -0.003 0.000 0.853 213 D CB -0.027 40.771 40.800 -0.004 0.000 0.939 213 D HN 0.345 nan 8.370 nan 0.000 0.481 214 A N -0.476 122.339 122.820 -0.009 0.000 2.119 214 A HA 0.349 4.669 4.320 -0.000 0.000 0.216 214 A C 1.802 179.369 177.584 -0.028 0.000 1.152 214 A CA 1.452 53.480 52.037 -0.017 0.000 0.708 214 A CB 0.079 19.070 19.000 -0.014 0.000 0.805 214 A HN 0.298 nan 8.150 nan 0.000 0.460 215 G N -2.807 105.980 108.800 -0.021 0.000 2.273 215 G HA2 0.269 4.229 3.960 -0.000 0.000 0.162 215 G HA3 0.269 4.229 3.960 -0.000 0.000 0.162 215 G C 0.331 175.218 174.900 -0.021 0.000 1.006 215 G CA 0.014 45.099 45.100 -0.026 0.000 0.704 215 G HN 1.294 nan 8.290 nan 0.000 0.487 216 A N 0.331 123.143 122.820 -0.013 0.000 2.425 216 A HA 0.739 5.058 4.320 -0.000 0.000 0.242 216 A C 1.432 179.038 177.584 0.037 0.000 1.077 216 A CA 1.200 53.236 52.037 -0.003 0.000 0.781 216 A CB 0.775 19.776 19.000 0.002 0.000 1.020 216 A HN 1.688 nan 8.150 nan 0.000 0.494 217 A N 1.019 123.878 122.820 0.064 0.000 2.348 217 A HA 0.582 4.901 4.320 -0.000 0.000 0.224 217 A C 0.917 178.645 177.584 0.240 0.000 1.227 217 A CA 0.931 53.073 52.037 0.175 0.000 0.885 217 A CB -0.452 18.677 19.000 0.215 0.000 0.933 217 A HN 2.266 nan 8.150 nan 0.000 0.506 218 G N -1.516 107.375 108.800 0.152 0.000 2.321 218 G HA2 0.466 4.426 3.960 -0.000 0.000 0.296 218 G HA3 0.466 4.426 3.960 -0.000 0.000 0.296 218 G C -1.421 173.512 174.900 0.055 0.000 1.287 218 G CA -0.646 44.525 45.100 0.119 0.000 0.846 218 G HN 0.254 nan 8.290 nan 0.000 0.508 222 H N 5.967 125.389 119.070 0.587 0.000 2.679 222 H HA 0.284 4.839 4.556 -0.000 0.000 0.360 222 H C 0.366 175.807 175.328 0.188 0.000 1.105 222 H CA -0.420 55.797 56.048 0.281 0.000 1.196 222 H CB 2.533 32.417 29.762 0.204 0.000 1.636 222 H HN 0.858 nan 8.280 nan 0.000 0.531 223 E N 2.291 122.519 120.200 0.046 0.000 2.209 223 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 223 E C 0.008 176.671 176.600 0.105 0.000 0.993 223 E CA 1.521 57.996 56.400 0.124 0.000 0.819 223 E CB 0.175 29.933 29.700 0.096 0.000 0.745 223 E HN 0.443 nan 8.360 nan 0.000 0.477 224 D N 0.126 120.633 120.400 0.179 0.000 2.310 224 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 224 D C 0.508 176.549 176.300 -0.431 0.000 0.965 224 D CA 0.839 54.685 54.000 -0.257 0.000 0.879 224 D CB -0.234 40.224 40.800 -0.570 0.000 0.921 224 D HN 0.494 nan 8.370 nan 0.000 0.510 225 W N 0.451 121.596 121.300 -0.259 0.000 3.220 225 W HA 0.387 5.047 4.660 -0.000 0.000 0.328 225 W C 0.658 176.940 176.519 -0.395 0.000 1.205 225 W CA -0.085 56.959 57.345 -0.502 0.000 1.773 225 W CB 0.741 29.573 29.460 -1.046 0.000 1.086 225 W HN -0.081 nan 8.180 nan 0.000 0.622 226 G N 1.320 110.151 108.800 0.052 0.000 2.830 226 G HA2 0.054 4.014 3.960 -0.000 0.000 0.298 226 G HA3 0.054 4.014 3.960 -0.000 0.000 0.298 226 G C -0.144 174.965 174.900 0.347 0.000 1.031 226 G CA -0.591 44.607 45.100 0.163 0.000 1.179 226 G HN 0.418 nan 8.290 nan 0.000 0.527 227 A N 2.356 125.342 122.820 0.278 0.000 3.135 227 A HA 0.647 4.967 4.320 -0.000 0.000 0.253 227 A C 1.348 179.012 177.584 0.133 0.000 1.638 227 A CA 0.961 53.142 52.037 0.239 0.000 1.295 227 A CB -0.576 18.532 19.000 0.179 0.000 1.106 227 A HN 2.069 nan 8.150 nan 0.000 0.648 228 T N -2.916 111.717 114.554 0.132 0.000 2.874 228 T HA 0.433 4.782 4.350 -0.000 0.000 0.281 228 T C -1.731 173.003 174.700 0.057 0.000 0.994 228 T CA -1.644 60.507 62.100 0.084 0.000 1.015 228 T CB 0.935 69.853 68.868 0.082 0.000 1.028 228 T HN 0.078 nan 8.240 nan 0.000 0.523 229 P HA -0.067 nan 4.420 nan 0.000 0.216 229 P C 1.563 178.871 177.300 0.013 0.000 1.150 229 P CA 1.515 64.631 63.100 0.027 0.000 0.843 229 P CB -0.267 31.446 31.700 0.022 0.000 0.787 230 A N -0.954 121.876 122.820 0.018 0.000 1.873 230 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 230 A C 2.398 179.978 177.584 -0.006 0.000 1.186 230 A CA 1.965 54.007 52.037 0.008 0.000 0.616 230 A CB -1.449 17.562 19.000 0.017 0.000 0.823 230 A HN 0.095 nan 8.150 nan 0.000 0.442 231 S N -0.206 115.495 115.700 0.002 0.000 2.382 231 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 231 S C 1.789 176.318 174.600 -0.117 0.000 1.027 231 S CA 1.397 59.561 58.200 -0.060 0.000 0.991 231 S CB -0.498 62.676 63.200 -0.043 0.000 0.823 231 S HN 0.521 nan 8.310 nan 0.000 0.469 232 I N 1.390 121.917 120.570 -0.072 0.000 2.142 232 I HA -0.221 3.948 4.170 -0.000 0.000 0.240 232 I C 2.399 178.481 176.117 -0.059 0.000 1.078 232 I CA 1.622 62.880 61.300 -0.069 0.000 1.343 232 I CB -0.403 37.581 38.000 -0.027 0.000 1.046 232 I HN 0.252 nan 8.210 nan 0.000 0.405 233 D N 0.643 121.020 120.400 -0.037 0.000 2.097 233 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 233 D C 2.314 178.592 176.300 -0.037 0.000 0.989 233 D CA 1.415 55.397 54.000 -0.031 0.000 0.827 233 D CB 0.105 40.894 40.800 -0.018 0.000 0.966 233 D HN -0.021 nan 8.370 nan 0.000 0.456 234 R N 0.333 120.808 120.500 -0.040 0.000 2.081 234 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 234 R C 2.584 178.853 176.300 -0.052 0.000 1.131 234 R CA 0.872 56.948 56.100 -0.040 0.000 0.960 234 R CB -1.244 29.034 30.300 -0.036 0.000 0.856 234 R HN 0.190 nan 8.270 nan 0.000 0.436 235 S N 1.386 117.040 115.700 -0.076 0.000 2.368 235 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 235 S C 2.069 176.631 174.600 -0.064 0.000 1.030 235 S CA 0.991 59.140 58.200 -0.085 0.000 0.999 235 S CB -0.199 62.923 63.200 -0.130 0.000 0.844 235 S HN 0.195 nan 8.310 nan 0.000 0.459 236 L N 0.810 121.998 121.223 -0.058 0.000 2.156 236 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 236 L C 2.600 179.450 176.870 -0.034 0.000 1.095 236 L CA 0.988 55.801 54.840 -0.045 0.000 0.770 236 L CB -0.893 41.141 42.059 -0.042 0.000 0.914 236 L HN 0.288 nan 8.230 nan 0.000 0.439 237 T N -0.608 113.927 114.554 -0.032 0.000 2.746 237 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 237 T C 2.021 176.707 174.700 -0.023 0.000 1.039 237 T CA 1.252 63.337 62.100 -0.025 0.000 1.142 237 T CB -0.124 68.731 68.868 -0.022 0.000 0.866 237 T HN 0.041 nan 8.240 nan 0.000 0.444 238 V N 1.701 121.598 119.914 -0.027 0.000 2.295 238 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 238 V C 2.877 178.960 176.094 -0.020 0.000 1.049 238 V CA 1.817 64.103 62.300 -0.023 0.000 1.024 238 V CB -1.189 30.617 31.823 -0.028 0.000 0.648 238 V HN 0.530 nan 8.190 nan 0.000 0.447 239 A N -0.344 122.462 122.820 -0.024 0.000 1.902 239 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 239 A C 1.998 179.573 177.584 -0.015 0.000 1.181 239 A CA 2.053 54.078 52.037 -0.019 0.000 0.623 239 A CB -0.653 18.331 19.000 -0.027 0.000 0.818 239 A HN 0.534 nan 8.150 nan 0.000 0.443 240 D N -0.896 119.493 120.400 -0.019 0.000 2.218 240 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 240 D C 1.876 178.169 176.300 -0.013 0.000 0.976 240 D CA 1.389 55.380 54.000 -0.016 0.000 0.853 240 D CB -0.162 40.628 40.800 -0.017 0.000 0.939 240 D HN 0.776 nan 8.370 nan 0.000 0.481 241 E N -0.005 120.188 120.200 -0.012 0.000 2.112 241 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 241 E C 1.704 178.301 176.600 -0.006 0.000 0.979 241 E CA 0.691 57.086 56.400 -0.009 0.000 0.814 241 E CB 0.131 29.825 29.700 -0.010 0.000 0.762 241 E HN 0.126 nan 8.360 nan 0.000 0.460 242 A N 0.565 123.383 122.820 -0.004 0.000 2.178 242 A HA 0.005 4.324 4.320 -0.000 0.000 0.211 242 A C 0.479 178.068 177.584 0.008 0.000 1.157 242 A CA 0.708 52.747 52.037 0.003 0.000 0.780 242 A CB 0.156 19.159 19.000 0.005 0.000 0.828 242 A HN 0.389 nan 8.150 nan 0.000 0.476 243 D N -0.809 119.593 120.400 0.002 0.000 2.718 243 D HA -0.125 4.515 4.640 -0.000 0.000 0.242 243 D C -0.149 176.161 176.300 0.016 0.000 1.123 243 D CA 1.079 55.081 54.000 0.003 0.000 0.690 243 D CB -1.732 39.068 40.800 0.000 0.000 1.059 243 D HN 0.988 nan 8.370 nan 0.000 0.429 244 V N -2.079 117.845 119.914 0.017 0.000 3.102 244 V HA 0.840 4.960 4.120 -0.000 0.000 0.312 244 V C 0.028 176.129 176.094 0.011 0.000 1.135 244 V CA -0.978 61.341 62.300 0.033 0.000 1.022 244 V CB 2.069 33.926 31.823 0.055 0.000 1.056 244 V HN 0.080 nan 8.190 nan 0.000 0.436 245 Q N 1.014 120.823 119.800 0.014 0.000 2.227 245 Q HA 0.685 5.025 4.340 -0.000 0.000 0.245 245 Q C -1.014 174.974 176.000 -0.021 0.000 0.926 245 Q CA -0.353 55.444 55.803 -0.010 0.000 0.895 245 Q CB 1.801 30.528 28.738 -0.017 0.000 1.230 245 Q HN 0.831 nan 8.270 nan 0.000 0.450 246 V N 2.430 122.311 119.914 -0.055 0.000 2.448 246 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 246 V C -0.466 175.510 176.094 -0.196 0.000 1.025 246 V CA -0.721 61.513 62.300 -0.109 0.000 0.859 246 V CB 1.157 32.921 31.823 -0.097 0.000 0.988 246 V HN 0.876 nan 8.190 nan 0.000 0.431 247 A N 5.522 128.116 122.820 -0.376 0.000 2.312 247 A HA 0.913 5.233 4.320 -0.000 0.000 0.328 247 A C -0.731 176.503 177.584 -0.583 0.000 1.158 247 A CA -0.550 51.009 52.037 -0.797 0.000 0.821 247 A CB 1.042 18.996 19.000 -1.743 0.000 1.170 247 A HN 0.894 nan 8.150 nan 0.000 0.490 248 I N 0.756 121.012 120.570 -0.523 0.000 2.582 248 I HA 0.419 4.588 4.170 -0.000 0.000 0.292 248 I C -0.978 175.081 176.117 -0.096 0.000 1.066 248 I CA -0.558 60.612 61.300 -0.216 0.000 1.053 248 I CB 1.851 39.791 38.000 -0.100 0.000 1.241 248 I HN 0.897 nan 8.210 nan 0.000 0.421 249 H N 6.188 125.210 119.070 -0.080 0.000 2.718 249 H HA 0.473 5.029 4.556 -0.000 0.000 0.295 249 H C -0.337 174.968 175.328 -0.039 0.000 1.051 249 H CA -0.582 55.475 56.048 0.016 0.000 1.260 249 H CB 0.940 30.661 29.762 -0.068 0.000 1.403 249 H HN 0.679 nan 8.280 nan 0.000 0.488 250 S N 2.599 118.378 115.700 0.133 0.000 2.641 250 S HA -0.015 4.454 4.470 -0.000 0.000 0.261 250 S C 0.418 174.962 174.600 -0.093 0.000 1.257 250 S CA -0.916 57.285 58.200 0.002 0.000 0.983 250 S CB 1.010 64.187 63.200 -0.037 0.000 0.990 250 S HN 0.746 nan 8.310 nan 0.000 0.572 251 D N 0.558 120.744 120.400 -0.357 0.000 2.441 251 D HA 0.175 4.815 4.640 -0.000 0.000 0.243 251 D C 1.052 177.163 176.300 -0.316 0.000 1.257 251 D CA 0.093 53.932 54.000 -0.268 0.000 1.027 251 D CB -0.352 40.344 40.800 -0.173 0.000 1.084 251 D HN 0.541 nan 8.370 nan 0.000 0.514 252 T N 3.131 117.647 114.554 -0.064 0.000 2.699 252 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 252 T C 1.657 176.441 174.700 0.139 0.000 1.036 252 T CA 0.593 62.725 62.100 0.052 0.000 1.147 252 T CB 0.056 69.040 68.868 0.194 0.000 0.862 252 T HN 0.296 nan 8.240 nan 0.000 0.446 253 L N 1.447 122.757 121.223 0.145 0.000 2.456 253 L HA 0.126 4.465 4.340 -0.000 0.000 0.224 253 L C 0.873 177.821 176.870 0.129 0.000 1.148 253 L CA 0.735 55.666 54.840 0.152 0.000 0.825 253 L CB -1.358 40.751 42.059 0.084 0.000 0.937 253 L HN 0.333 nan 8.230 nan 0.000 0.450 254 N N -0.004 118.776 118.700 0.133 0.000 2.725 254 N HA -0.289 4.451 4.740 -0.000 0.000 0.249 254 N C 1.382 176.865 175.510 -0.044 0.000 1.103 254 N CA 1.122 54.249 53.050 0.129 0.000 0.707 254 N CB -0.984 37.636 38.487 0.222 0.000 1.043 254 N HN 0.606 nan 8.380 nan 0.000 0.553 255 E N 0.216 120.413 120.200 -0.005 0.000 2.047 255 E HA -0.035 4.314 4.350 -0.000 0.000 0.191 255 E C 1.561 178.127 176.600 -0.056 0.000 0.987 255 E CA 1.440 57.822 56.400 -0.029 0.000 0.799 255 E CB 0.019 29.717 29.700 -0.003 0.000 0.752 255 E HN 0.459 nan 8.360 nan 0.000 0.449 256 A N 0.087 122.890 122.820 -0.027 0.000 2.303 256 A HA 0.425 4.745 4.320 -0.000 0.000 0.217 256 A C 0.680 178.234 177.584 -0.050 0.000 1.205 256 A CA 0.621 52.642 52.037 -0.028 0.000 0.875 256 A CB 0.668 19.675 19.000 0.011 0.000 0.910 256 A HN 0.355 nan 8.150 nan 0.000 0.501 257 G N -1.824 106.934 108.800 -0.071 0.000 2.368 257 G HA2 0.464 4.424 3.960 -0.000 0.000 0.293 257 G HA3 0.464 4.424 3.960 -0.000 0.000 0.293 257 G C -1.167 173.677 174.900 -0.093 0.000 1.467 257 G CA -0.726 44.310 45.100 -0.107 0.000 0.804 257 G HN -0.021 nan 8.290 nan 0.000 0.535 258 F N -0.563 119.386 119.950 -0.001 0.000 2.403 258 F HA 0.539 5.066 4.527 -0.000 0.000 0.326 258 F C 1.662 177.112 175.800 -0.583 0.000 1.099 258 F CA -0.855 57.052 58.000 -0.156 0.000 1.036 258 F CB 0.916 39.867 39.000 -0.082 0.000 1.336 258 F HN 0.397 nan 8.300 nan 0.000 0.497 259 L N 1.469 122.363 121.223 -0.548 0.000 2.021 259 L HA -0.221 4.118 4.340 -0.000 0.000 0.215 259 L C 2.430 179.139 176.870 -0.268 0.000 1.074 259 L CA 1.981 56.432 54.840 -0.648 0.000 0.760 259 L CB -1.006 40.889 42.059 -0.273 0.000 0.889 259 L HN 0.701 nan 8.230 nan 0.000 0.433 260 E N -1.249 118.886 120.200 -0.109 0.000 2.209 260 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 260 E C 1.480 178.060 176.600 -0.033 0.000 0.993 260 E CA 1.660 58.032 56.400 -0.046 0.000 0.819 260 E CB -0.801 28.903 29.700 0.006 0.000 0.745 260 E HN 0.638 nan 8.360 nan 0.000 0.477 261 D N 0.852 121.238 120.400 -0.023 0.000 2.149 261 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 261 D C 1.708 178.010 176.300 0.004 0.000 0.972 261 D CA 1.582 55.582 54.000 -0.001 0.000 0.835 261 D CB -0.080 40.728 40.800 0.012 0.000 0.966 261 D HN 0.214 nan 8.370 nan 0.000 0.476 262 T N 1.549 116.105 114.554 0.004 0.000 2.777 262 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 262 T C 2.286 176.980 174.700 -0.010 0.000 1.040 262 T CA 0.430 62.565 62.100 0.060 0.000 1.141 262 T CB -0.157 68.837 68.868 0.210 0.000 0.868 262 T HN 0.077 nan 8.240 nan 0.000 0.444 263 L N 0.561 121.743 121.223 -0.067 0.000 2.046 263 L HA -0.072 4.267 4.340 -0.000 0.000 0.208 263 L C 2.813 179.647 176.870 -0.059 0.000 1.077 263 L CA 1.327 56.104 54.840 -0.105 0.000 0.747 263 L CB -0.440 41.507 42.059 -0.187 0.000 0.896 263 L HN 0.152 nan 8.230 nan 0.000 0.432 264 R N 0.242 120.722 120.500 -0.033 0.000 2.081 264 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 264 R C 2.304 178.597 176.300 -0.012 0.000 1.131 264 R CA 1.408 57.499 56.100 -0.015 0.000 0.960 264 R CB -0.224 30.074 30.300 -0.004 0.000 0.856 264 R HN 0.344 nan 8.270 nan 0.000 0.436 265 A N 0.867 123.682 122.820 -0.008 0.000 1.933 265 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 265 A C 2.106 179.681 177.584 -0.016 0.000 1.175 265 A CA 1.239 53.272 52.037 -0.006 0.000 0.628 265 A CB -0.415 18.587 19.000 0.004 0.000 0.814 265 A HN 0.363 nan 8.150 nan 0.000 0.444 266 I N -1.095 119.461 120.570 -0.024 0.000 2.226 266 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 266 I C 1.120 177.221 176.117 -0.027 0.000 1.100 266 I CA 1.214 62.495 61.300 -0.031 0.000 1.374 266 I CB -0.352 37.621 38.000 -0.045 0.000 1.057 266 I HN 0.498 nan 8.210 nan 0.000 0.413 267 N N 0.867 119.552 118.700 -0.024 0.000 2.740 267 N HA -0.203 4.536 4.740 -0.000 0.000 0.248 267 N C 0.623 176.126 175.510 -0.012 0.000 1.062 267 N CA 0.940 53.981 53.050 -0.015 0.000 0.704 267 N CB -1.123 37.357 38.487 -0.012 0.000 0.968 267 N HN 0.662 nan 8.380 nan 0.000 0.547 268 G N -1.425 107.367 108.800 -0.013 0.000 2.179 268 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 268 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 268 G C 0.328 175.222 174.900 -0.009 0.000 0.977 268 G CA 0.524 45.622 45.100 -0.004 0.000 0.641 268 G HN 0.676 nan 8.290 nan 0.000 0.533 269 R N -0.150 120.340 120.500 -0.017 0.000 2.615 269 R HA 0.476 4.816 4.340 -0.000 0.000 0.270 269 R C 0.686 176.972 176.300 -0.022 0.000 1.081 269 R CA -0.352 55.736 56.100 -0.020 0.000 1.154 269 R CB 0.959 31.245 30.300 -0.024 0.000 1.063 269 R HN 0.092 nan 8.270 nan 0.000 0.519 270 V N 3.687 123.587 119.914 -0.023 0.000 2.637 270 V HA 0.209 4.329 4.120 -0.000 0.000 0.296 270 V C 0.455 176.532 176.094 -0.028 0.000 1.046 270 V CA 0.312 62.597 62.300 -0.025 0.000 1.066 270 V CB 0.523 32.329 31.823 -0.029 0.000 0.968 270 V HN 0.596 nan 8.190 nan 0.000 0.483 271 I N 2.545 123.101 120.570 -0.023 0.000 2.841 271 I HA 0.408 4.577 4.170 -0.000 0.000 0.298 271 I C -0.743 175.388 176.117 0.023 0.000 1.304 271 I CA -0.681 60.606 61.300 -0.021 0.000 1.019 271 I CB 2.360 40.336 38.000 -0.040 0.000 1.282 271 I HN 0.818 nan 8.210 nan 0.000 0.432 272 H N 5.051 124.044 119.070 -0.128 0.000 2.594 272 H HA 0.332 4.888 4.556 -0.000 0.000 0.304 272 H C -0.859 174.381 175.328 -0.146 0.000 1.068 272 H CA -0.435 55.544 56.048 -0.116 0.000 1.308 272 H CB 1.204 30.885 29.762 -0.135 0.000 1.409 272 H HN 0.457 nan 8.280 nan 0.000 0.460 273 S N 6.320 122.156 115.700 0.226 0.000 2.399 273 S HA 0.157 4.626 4.470 -0.000 0.000 0.301 273 S C -0.365 174.364 174.600 0.214 0.000 1.093 273 S CA -0.763 57.502 58.200 0.109 0.000 1.077 273 S CB -0.406 62.850 63.200 0.092 0.000 0.980 273 S HN 0.397 nan 8.310 nan 0.000 0.494 274 F N 4.103 123.928 119.950 -0.207 0.000 2.490 274 F HA 0.205 4.731 4.527 -0.000 0.000 0.336 274 F C 1.424 176.993 175.800 -0.384 0.000 1.178 274 F CA -0.504 57.294 58.000 -0.338 0.000 1.301 274 F CB -0.253 38.385 39.000 -0.604 0.000 1.175 274 F HN 0.806 nan 8.300 nan 0.000 0.593 275 H N -1.019 118.204 119.070 0.255 0.000 2.166 275 H HA -0.152 4.404 4.556 -0.000 0.000 0.323 275 H C 0.687 176.057 175.328 0.069 0.000 0.936 275 H CA 0.401 56.513 56.048 0.106 0.000 1.073 275 H CB -1.882 27.904 29.762 0.041 0.000 1.592 275 H HN 0.352 nan 8.280 nan 0.000 0.346 276 V N 0.119 120.139 119.914 0.178 0.000 2.626 276 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 276 V C 2.441 178.581 176.094 0.077 0.000 1.067 276 V CA 2.274 64.645 62.300 0.118 0.000 1.081 276 V CB -0.106 31.768 31.823 0.085 0.000 0.686 276 V HN 0.796 nan 8.190 nan 0.000 0.468 277 E N 0.348 120.587 120.200 0.064 0.000 2.153 277 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 277 E C 1.759 178.341 176.600 -0.029 0.000 0.988 277 E CA 1.334 57.735 56.400 0.002 0.000 0.811 277 E CB -0.082 29.611 29.700 -0.011 0.000 0.746 277 E HN 0.730 nan 8.360 nan 0.000 0.466 278 G N -0.401 108.394 108.800 -0.009 0.000 2.213 278 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.226 278 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.226 278 G C 1.258 176.060 174.900 -0.164 0.000 0.992 278 G CA 0.758 45.809 45.100 -0.081 0.000 0.632 278 G HN 0.583 nan 8.290 nan 0.000 0.511 279 A N 0.562 123.299 122.820 -0.139 0.000 1.940 279 A HA 0.326 4.646 4.320 -0.000 0.000 0.219 279 A C 2.637 180.119 177.584 -0.170 0.000 1.176 279 A CA 2.402 54.363 52.037 -0.126 0.000 0.631 279 A CB -0.827 18.137 19.000 -0.059 0.000 0.814 279 A HN 1.607 nan 8.150 nan 0.000 0.446 280 G N -1.621 107.009 108.800 -0.283 0.000 2.744 280 G HA2 0.428 4.388 3.960 -0.000 0.000 0.211 280 G HA3 0.428 4.388 3.960 -0.000 0.000 0.211 280 G C 0.655 174.917 174.900 -1.063 0.000 1.143 280 G CA 0.807 45.569 45.100 -0.563 0.000 0.788 280 G HN 1.601 nan 8.290 nan 0.000 0.534 281 G N -2.246 106.033 108.800 -0.868 0.000 2.306 281 G HA2 0.578 4.538 3.960 -0.000 0.000 0.340 281 G HA3 0.578 4.538 3.960 -0.000 0.000 0.340 281 G C -0.396 174.213 174.900 -0.486 0.000 1.630 281 G CA -0.035 44.584 45.100 -0.802 0.000 0.937 281 G HN 1.674 nan 8.290 nan 0.000 0.693 282 G N 0.386 109.040 108.800 -0.243 0.000 2.321 282 G HA2 0.489 4.448 3.960 -0.000 0.000 0.339 282 G HA3 0.489 4.448 3.960 -0.000 0.000 0.339 282 G C -0.524 174.354 174.900 -0.038 0.000 1.518 282 G CA -0.574 44.461 45.100 -0.108 0.000 0.994 282 G HN 1.369 nan 8.290 nan 0.000 0.668 283 H N 0.031 119.129 119.070 0.046 0.000 3.221 283 H HA 0.194 4.750 4.556 -0.000 0.000 0.272 283 H C 1.133 176.471 175.328 0.017 0.000 0.865 283 H CA 1.521 57.611 56.048 0.070 0.000 1.419 283 H CB 0.289 30.102 29.762 0.085 0.000 1.377 283 H HN 0.983 nan 8.280 nan 0.000 0.535 284 A N 7.046 129.940 122.820 0.124 0.000 2.328 284 A HA 0.278 4.597 4.320 -0.000 0.000 0.284 284 A C -1.380 176.202 177.584 -0.003 0.000 1.160 284 A CA -1.214 50.817 52.037 -0.010 0.000 0.818 284 A CB 0.674 19.655 19.000 -0.031 0.000 1.087 284 A HN 0.523 nan 8.150 nan 0.000 0.504 285 P HA 0.127 nan 4.420 nan 0.000 0.282 285 P C -0.388 176.791 177.300 -0.203 0.000 1.373 285 P CA 0.258 63.166 63.100 -0.319 0.000 1.001 285 P CB 0.561 31.828 31.700 -0.722 0.000 1.489 286 D N -0.870 119.482 120.400 -0.080 0.000 2.402 286 D HA 0.006 4.646 4.640 -0.000 0.000 0.216 286 D C 1.459 177.758 176.300 -0.001 0.000 1.128 286 D CA -0.570 53.402 54.000 -0.047 0.000 0.833 286 D CB -0.600 40.172 40.800 -0.045 0.000 0.971 286 D HN -0.028 nan 8.370 nan 0.000 0.503 287 I N 0.715 121.305 120.570 0.033 0.000 2.315 287 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 287 I C 2.081 178.224 176.117 0.044 0.000 1.125 287 I CA 1.192 62.536 61.300 0.074 0.000 1.392 287 I CB -0.217 37.838 38.000 0.092 0.000 1.065 287 I HN 0.056 nan 8.210 nan 0.000 0.424 288 M N -0.076 119.531 119.600 0.012 0.000 2.346 288 M HA -0.171 4.308 4.480 -0.000 0.000 0.263 288 M C 2.020 178.335 176.300 0.024 0.000 1.064 288 M CA 1.687 56.993 55.300 0.010 0.000 1.083 288 M CB -0.187 32.402 32.600 -0.019 0.000 1.399 288 M HN 0.368 nan 8.290 nan 0.000 0.435 289 A N 0.125 122.964 122.820 0.032 0.000 2.125 289 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 289 A C 1.942 179.615 177.584 0.148 0.000 1.156 289 A CA 1.121 53.197 52.037 0.065 0.000 0.671 289 A CB -0.602 18.433 19.000 0.059 0.000 0.794 289 A HN 0.541 nan 8.150 nan 0.000 0.459 290 M N -0.539 119.126 119.600 0.109 0.000 2.202 290 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 290 M C 2.304 178.701 176.300 0.161 0.000 1.063 290 M CA 1.548 56.917 55.300 0.115 0.000 1.097 290 M CB -1.175 31.453 32.600 0.046 0.000 1.382 290 M HN 0.509 nan 8.290 nan 0.000 0.413 291 A N -0.265 122.610 122.820 0.092 0.000 2.216 291 A HA 0.121 4.441 4.320 -0.000 0.000 0.214 291 A C 2.217 179.821 177.584 0.033 0.000 1.160 291 A CA 1.419 53.481 52.037 0.043 0.000 0.725 291 A CB -1.043 17.952 19.000 -0.009 0.000 0.784 291 A HN 0.549 nan 8.150 nan 0.000 0.472 292 G N -1.773 107.060 108.800 0.055 0.000 2.777 292 G HA2 0.100 4.059 3.960 -0.000 0.000 0.211 292 G HA3 0.100 4.059 3.960 -0.000 0.000 0.211 292 G C 0.620 175.459 174.900 -0.101 0.000 1.149 292 G CA -0.170 44.900 45.100 -0.050 0.000 0.785 292 G HN 0.649 nan 8.290 nan 0.000 0.536 293 H N 0.413 119.471 119.070 -0.020 0.000 2.511 293 H HA 0.130 4.686 4.556 -0.000 0.000 0.346 293 H C -1.344 173.971 175.328 -0.022 0.000 1.128 293 H CA -1.429 54.608 56.048 -0.018 0.000 1.342 293 H CB 2.374 32.127 29.762 -0.014 0.000 1.470 293 H HN 0.010 nan 8.280 nan 0.000 0.546 294 P HA -0.117 nan 4.420 nan 0.000 0.222 294 P C 0.784 178.099 177.300 0.026 0.000 1.153 294 P CA 1.033 64.151 63.100 0.029 0.000 0.798 294 P CB 0.350 32.056 31.700 0.010 0.000 0.796 295 N N -0.328 118.400 118.700 0.047 0.000 2.336 295 N HA 0.035 4.774 4.740 -0.000 0.000 0.189 295 N C -0.051 175.465 175.510 0.009 0.000 1.113 295 N CA 0.031 53.091 53.050 0.017 0.000 0.858 295 N CB -0.164 38.331 38.487 0.013 0.000 0.970 295 N HN -0.022 nan 8.380 nan 0.000 0.471 296 V N 1.766 121.698 119.914 0.029 0.000 2.427 296 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 296 V C 0.049 176.141 176.094 -0.003 0.000 1.034 296 V CA -0.771 61.541 62.300 0.020 0.000 0.893 296 V CB 1.893 33.744 31.823 0.046 0.000 0.982 296 V HN 0.111 nan 8.190 nan 0.000 0.452 297 L N 7.835 129.045 121.223 -0.022 0.000 2.277 297 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 297 L C -2.514 174.326 176.870 -0.050 0.000 1.028 297 L CA -1.523 53.263 54.840 -0.091 0.000 0.835 297 L CB 1.734 43.678 42.059 -0.192 0.000 1.215 297 L HN 0.427 nan 8.230 nan 0.000 0.425 298 P HA 0.300 nan 4.420 nan 0.000 0.300 298 P C -0.990 176.357 177.300 0.079 0.000 1.326 298 P CA -0.483 62.652 63.100 0.059 0.000 0.844 298 P CB 1.864 33.572 31.700 0.013 0.000 0.992 299 S N 1.409 117.247 115.700 0.229 0.000 2.599 299 S HA 0.711 5.181 4.470 -0.000 0.000 0.294 299 S C -0.255 174.475 174.600 0.217 0.000 1.094 299 S CA -0.670 57.680 58.200 0.249 0.000 0.931 299 S CB 1.150 64.618 63.200 0.446 0.000 1.093 299 S HN 0.244 nan 8.310 nan 0.000 0.488 300 S N 1.454 117.288 115.700 0.224 0.000 2.651 300 S HA 0.764 5.234 4.470 -0.000 0.000 0.291 300 S C 0.373 175.045 174.600 0.121 0.000 1.141 300 S CA -0.701 57.623 58.200 0.207 0.000 1.027 300 S CB 1.346 64.740 63.200 0.323 0.000 1.043 300 S HN 0.989 nan 8.310 nan 0.000 0.530 301 T N -0.274 114.327 114.554 0.079 0.000 2.897 301 T HA 0.335 4.685 4.350 -0.000 0.000 0.278 301 T C 0.812 175.510 174.700 -0.003 0.000 0.981 301 T CA -0.767 61.316 62.100 -0.029 0.000 0.973 301 T CB 0.476 69.281 68.868 -0.104 0.000 1.092 301 T HN 0.574 nan 8.240 nan 0.000 0.543 302 N N -0.840 117.838 118.700 -0.037 0.000 2.353 302 N HA 0.151 4.890 4.740 -0.000 0.000 0.185 302 N C -1.702 173.819 175.510 0.017 0.000 1.098 302 N CA -0.690 52.348 53.050 -0.020 0.000 0.872 302 N CB -1.062 37.395 38.487 -0.050 0.000 0.970 302 N HN 0.357 nan 8.380 nan 0.000 0.467 303 P HA -0.009 nan 4.420 nan 0.000 0.222 303 P C 0.979 178.415 177.300 0.227 0.000 1.153 303 P CA 1.496 64.684 63.100 0.146 0.000 0.798 303 P CB -0.134 31.636 31.700 0.117 0.000 0.796 304 T N -4.099 110.533 114.554 0.130 0.000 3.148 304 T HA 0.114 4.464 4.350 -0.000 0.000 0.253 304 T C 0.833 175.555 174.700 0.037 0.000 1.134 304 T CA 0.033 62.129 62.100 -0.007 0.000 1.051 304 T CB -0.310 68.516 68.868 -0.070 0.000 0.959 304 T HN -0.114 nan 8.240 nan 0.000 0.525 305 R N 2.814 123.339 120.500 0.042 0.000 2.255 305 R HA 0.461 4.801 4.340 -0.000 0.000 0.326 305 R C -2.727 173.590 176.300 0.028 0.000 0.986 305 R CA -2.432 53.682 56.100 0.023 0.000 0.847 305 R CB 1.116 31.396 30.300 -0.033 0.000 1.111 305 R HN 0.309 nan 8.270 nan 0.000 0.452 306 P HA 0.226 nan 4.420 nan 0.000 0.301 306 P C -0.617 176.779 177.300 0.158 0.000 1.309 306 P CA -0.740 62.415 63.100 0.091 0.000 0.782 306 P CB 0.585 32.334 31.700 0.081 0.000 1.282 307 F N 1.559 121.509 119.950 0.001 0.000 2.471 307 F HA 0.358 4.884 4.527 -0.000 0.000 0.365 307 F C 0.200 175.998 175.800 -0.004 0.000 1.095 307 F CA 0.124 58.116 58.000 -0.014 0.000 1.174 307 F CB -0.542 38.453 39.000 -0.007 0.000 1.105 307 F HN 0.288 nan 8.300 nan 0.000 0.535 308 T N 2.478 116.977 114.554 -0.093 0.000 2.907 308 T HA 0.433 4.783 4.350 -0.000 0.000 0.290 308 T C 0.969 175.502 174.700 -0.279 0.000 1.066 308 T CA -0.179 61.797 62.100 -0.207 0.000 1.012 308 T CB 1.148 69.980 68.868 -0.060 0.000 1.184 308 T HN 0.686 nan 8.240 nan 0.000 0.522 309 V N -0.217 119.569 119.914 -0.213 0.000 2.759 309 V HA 0.015 4.134 4.120 -0.000 0.000 0.256 309 V C 1.542 177.597 176.094 -0.064 0.000 1.080 309 V CA 1.379 63.582 62.300 -0.161 0.000 1.101 309 V CB -1.071 30.683 31.823 -0.115 0.000 0.698 309 V HN 0.801 nan 8.190 nan 0.000 0.477 310 N N 0.233 118.918 118.700 -0.024 0.000 2.299 310 N HA 0.035 4.774 4.740 -0.000 0.000 0.187 310 N C 1.624 177.176 175.510 0.070 0.000 1.099 310 N CA 1.050 54.113 53.050 0.022 0.000 0.867 310 N CB 0.296 38.797 38.487 0.024 0.000 0.974 310 N HN 0.545 nan 8.380 nan 0.000 0.477 311 T N 2.163 116.766 114.554 0.083 0.000 2.607 311 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 311 T C 1.961 176.751 174.700 0.150 0.000 1.049 311 T CA 0.811 62.994 62.100 0.138 0.000 1.162 311 T CB 0.053 69.004 68.868 0.137 0.000 0.863 311 T HN 0.095 nan 8.240 nan 0.000 0.424 312 I N 1.826 122.472 120.570 0.127 0.000 2.179 312 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 312 I C 2.238 178.421 176.117 0.111 0.000 1.088 312 I CA 1.372 62.734 61.300 0.103 0.000 1.357 312 I CB -1.301 36.766 38.000 0.112 0.000 1.051 312 I HN 0.207 nan 8.210 nan 0.000 0.409 313 D N 0.617 121.071 120.400 0.090 0.000 2.123 313 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 313 D C 2.083 178.429 176.300 0.077 0.000 0.992 313 D CA 1.383 55.424 54.000 0.068 0.000 0.833 313 D CB -0.198 40.631 40.800 0.047 0.000 0.954 313 D HN 0.516 nan 8.370 nan 0.000 0.455 314 E N -0.026 120.236 120.200 0.104 0.000 2.051 314 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 314 E C 1.852 178.491 176.600 0.064 0.000 0.991 314 E CA 1.061 57.508 56.400 0.079 0.000 0.799 314 E CB -0.034 29.724 29.700 0.097 0.000 0.748 314 E HN 0.325 nan 8.360 nan 0.000 0.449 315 H N 0.467 119.538 119.070 0.001 0.000 2.357 315 H HA -0.007 4.548 4.556 -0.000 0.000 0.301 315 H C 2.157 177.470 175.328 -0.024 0.000 1.082 315 H CA 1.476 57.514 56.048 -0.017 0.000 1.342 315 H CB -0.186 29.561 29.762 -0.025 0.000 1.389 315 H HN 0.134 nan 8.280 nan 0.000 0.511 316 L N -0.104 121.185 121.223 0.109 0.000 2.012 316 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 316 L C 2.151 179.039 176.870 0.030 0.000 1.073 316 L CA 1.684 56.551 54.840 0.045 0.000 0.748 316 L CB -0.309 41.774 42.059 0.040 0.000 0.891 316 L HN 0.265 nan 8.230 nan 0.000 0.431 317 D N -0.425 119.993 120.400 0.030 0.000 2.097 317 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 317 D C 2.242 178.546 176.300 0.007 0.000 0.989 317 D CA 1.251 55.262 54.000 0.018 0.000 0.827 317 D CB -0.020 40.788 40.800 0.013 0.000 0.966 317 D HN 0.155 nan 8.370 nan 0.000 0.456 318 M N -0.384 119.203 119.600 -0.021 0.000 2.082 318 M HA -0.202 4.277 4.480 -0.000 0.000 0.258 318 M C 1.961 178.259 176.300 -0.003 0.000 1.069 318 M CA 1.274 56.545 55.300 -0.049 0.000 1.102 318 M CB -0.142 32.366 32.600 -0.154 0.000 1.336 318 M HN 0.157 nan 8.290 nan 0.000 0.404 319 L N 0.856 122.074 121.223 -0.009 0.000 2.012 319 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 319 L C 2.332 179.248 176.870 0.076 0.000 1.073 319 L CA 1.881 56.719 54.840 -0.003 0.000 0.748 319 L CB -0.594 41.418 42.059 -0.078 0.000 0.891 319 L HN 0.383 nan 8.230 nan 0.000 0.431 320 M N -1.837 117.806 119.600 0.072 0.000 2.065 320 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 320 M C 2.271 178.650 176.300 0.132 0.000 1.069 320 M CA 1.622 56.987 55.300 0.108 0.000 1.110 320 M CB -1.054 31.588 32.600 0.070 0.000 1.328 320 M HN 0.164 nan 8.290 nan 0.000 0.405 321 V N 0.240 120.205 119.914 0.086 0.000 2.231 321 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 321 V C 2.555 178.740 176.094 0.151 0.000 1.054 321 V CA 2.014 64.352 62.300 0.062 0.000 1.015 321 V CB -0.687 31.147 31.823 0.017 0.000 0.638 321 V HN 0.560 nan 8.190 nan 0.000 0.444 322 C N -1.014 118.399 119.300 0.189 0.000 2.432 322 C HA -0.112 4.348 4.460 -0.000 0.000 0.280 322 C C 2.237 177.419 174.990 0.319 0.000 1.353 322 C CA 0.565 59.731 59.018 0.247 0.000 1.766 322 C CB -1.420 26.442 27.740 0.202 0.000 1.924 322 C HN 0.628 nan 8.230 nan 0.000 0.509 323 H N -1.438 117.730 119.070 0.165 0.000 2.586 323 H HA 0.035 4.591 4.556 -0.000 0.000 0.273 323 H C -0.046 175.339 175.328 0.096 0.000 0.997 323 H CA 0.117 56.195 56.048 0.051 0.000 1.177 323 H CB 0.098 29.907 29.762 0.078 0.000 1.471 323 H HN 0.528 nan 8.280 nan 0.000 0.538 324 H N -0.620 118.507 119.070 0.094 0.000 2.756 324 H HA -0.138 4.418 4.556 -0.000 0.000 0.315 324 H C -0.346 175.013 175.328 0.052 0.000 1.210 324 H CA 0.182 56.257 56.048 0.043 0.000 1.150 324 H CB -2.687 27.077 29.762 0.002 0.000 1.463 324 H HN 0.353 nan 8.280 nan 0.000 0.427 325 L N 0.022 121.361 121.223 0.194 0.000 2.326 325 L HA 0.345 4.685 4.340 -0.000 0.000 0.278 325 L C 0.786 177.714 176.870 0.096 0.000 1.092 325 L CA -0.534 54.389 54.840 0.137 0.000 0.810 325 L CB 0.835 42.991 42.059 0.162 0.000 1.153 325 L HN -0.030 nan 8.230 nan 0.000 0.439 326 K N 1.403 121.848 120.400 0.075 0.000 2.130 326 K HA 0.260 4.579 4.320 -0.000 0.000 0.268 326 K C 0.285 176.917 176.600 0.053 0.000 0.983 326 K CA -0.336 55.983 56.287 0.053 0.000 0.893 326 K CB 1.321 33.845 32.500 0.041 0.000 1.066 326 K HN 0.380 nan 8.250 nan 0.000 0.450 327 Q N 0.650 120.475 119.800 0.043 0.000 2.482 327 Q HA 0.036 4.376 4.340 -0.000 0.000 0.209 327 Q C 0.636 176.657 176.000 0.036 0.000 0.961 327 Q CA 0.603 56.430 55.803 0.041 0.000 0.945 327 Q CB -0.002 28.756 28.738 0.033 0.000 1.012 327 Q HN 0.538 nan 8.270 nan 0.000 0.515 328 N N -0.050 118.670 118.700 0.034 0.000 2.278 328 N HA 0.079 4.819 4.740 -0.000 0.000 0.181 328 N C -0.075 175.453 175.510 0.031 0.000 1.023 328 N CA 0.110 53.177 53.050 0.029 0.000 0.862 328 N CB 0.453 38.955 38.487 0.025 0.000 1.003 328 N HN 0.120 nan 8.380 nan 0.000 0.431 329 I N 2.664 123.255 120.570 0.036 0.000 2.363 329 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 329 I C -1.682 174.463 176.117 0.047 0.000 1.075 329 I CA -1.689 59.633 61.300 0.037 0.000 1.333 329 I CB 1.249 39.270 38.000 0.035 0.000 1.415 329 I HN -0.035 nan 8.210 nan 0.000 0.502 330 P HA -0.202 nan 4.420 nan 0.000 0.217 330 P C 1.125 178.464 177.300 0.065 0.000 1.151 330 P CA 1.407 64.537 63.100 0.049 0.000 0.849 330 P CB 0.271 31.995 31.700 0.040 0.000 0.787 331 E N -0.632 119.606 120.200 0.064 0.000 2.110 331 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 331 E C 1.754 178.428 176.600 0.122 0.000 0.988 331 E CA 1.262 57.711 56.400 0.081 0.000 0.804 331 E CB -0.684 29.048 29.700 0.054 0.000 0.745 331 E HN 0.280 nan 8.360 nan 0.000 0.458 332 D N -0.310 120.152 120.400 0.104 0.000 2.117 332 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 332 D C 1.981 178.391 176.300 0.183 0.000 0.982 332 D CA 0.762 54.851 54.000 0.149 0.000 0.828 332 D CB -0.212 40.650 40.800 0.103 0.000 0.967 332 D HN 0.031 nan 8.370 nan 0.000 0.464 333 V N 1.400 121.385 119.914 0.119 0.000 2.358 333 V HA -0.206 3.913 4.120 -0.000 0.000 0.246 333 V C 2.511 178.661 176.094 0.094 0.000 1.047 333 V CA 1.742 64.098 62.300 0.093 0.000 1.035 333 V CB -0.784 31.078 31.823 0.064 0.000 0.658 333 V HN 0.173 nan 8.190 nan 0.000 0.452 334 A N -0.262 122.623 122.820 0.109 0.000 1.902 334 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 334 A C 2.110 179.770 177.584 0.128 0.000 1.181 334 A CA 1.970 54.071 52.037 0.106 0.000 0.623 334 A CB -0.699 18.365 19.000 0.106 0.000 0.818 334 A HN 0.551 nan 8.150 nan 0.000 0.443 335 F N 1.199 121.168 119.950 0.032 0.000 2.102 335 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 335 F C 2.445 178.243 175.800 -0.004 0.000 1.105 335 F CA 1.265 59.276 58.000 0.020 0.000 1.239 335 F CB -0.592 38.416 39.000 0.015 0.000 0.991 335 F HN 0.240 nan 8.300 nan 0.000 0.474 336 A N 0.173 122.927 122.820 -0.110 0.000 1.877 336 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 336 A C 1.980 179.438 177.584 -0.209 0.000 1.186 336 A CA 1.999 53.883 52.037 -0.255 0.000 0.620 336 A CB -1.150 17.836 19.000 -0.024 0.000 0.822 336 A HN 0.460 nan 8.150 nan 0.000 0.443 337 D N -0.088 120.267 120.400 -0.074 0.000 2.178 337 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 337 D C 2.368 178.676 176.300 0.015 0.000 0.980 337 D CA 1.684 55.679 54.000 -0.007 0.000 0.842 337 D CB -0.242 40.582 40.800 0.040 0.000 0.948 337 D HN 0.593 nan 8.370 nan 0.000 0.472 338 S N -0.447 115.220 115.700 -0.055 0.000 2.489 338 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 338 S C 1.854 176.286 174.600 -0.279 0.000 0.995 338 S CA 0.414 58.571 58.200 -0.072 0.000 0.934 338 S CB 0.244 63.429 63.200 -0.024 0.000 0.771 338 S HN 0.151 nan 8.310 nan 0.000 0.522 339 R N -0.047 120.235 120.500 -0.362 0.000 2.167 339 R HA 0.331 4.671 4.340 -0.000 0.000 0.201 339 R C -0.241 175.894 176.300 -0.275 0.000 1.024 339 R CA 0.276 56.139 56.100 -0.395 0.000 1.053 339 R CB 0.254 30.177 30.300 -0.629 0.000 0.987 339 R HN 0.314 nan 8.270 nan 0.000 0.493 340 I N 2.884 123.329 120.570 -0.207 0.000 2.330 340 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 340 I C -0.791 175.270 176.117 -0.094 0.000 1.025 340 I CA -0.259 60.961 61.300 -0.132 0.000 1.197 340 I CB 1.210 39.169 38.000 -0.069 0.000 1.358 340 I HN 0.156 nan 8.210 nan 0.000 0.467 341 R N 7.708 128.134 120.500 -0.123 0.000 2.483 341 R HA 0.344 4.684 4.340 -0.000 0.000 0.303 341 R C -1.763 174.458 176.300 -0.131 0.000 0.987 341 R CA -1.364 54.700 56.100 -0.061 0.000 0.881 341 R CB 2.287 32.520 30.300 -0.113 0.000 1.177 341 R HN 0.239 nan 8.270 nan 0.000 0.451 342 P HA -0.173 nan 4.420 nan 0.000 0.218 342 P C 0.243 177.345 177.300 -0.330 0.000 1.148 342 P CA 1.302 64.244 63.100 -0.263 0.000 0.822 342 P CB 0.517 32.219 31.700 0.003 0.000 0.784 343 E N -0.228 119.900 120.200 -0.120 0.000 2.110 343 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 343 E C 2.121 178.645 176.600 -0.127 0.000 0.988 343 E CA 2.120 58.472 56.400 -0.080 0.000 0.804 343 E CB -1.316 28.410 29.700 0.042 0.000 0.745 343 E HN 0.431 nan 8.360 nan 0.000 0.458 344 T N -1.617 112.851 114.554 -0.144 0.000 2.978 344 T HA 0.079 4.429 4.350 -0.000 0.000 0.262 344 T C 1.993 176.576 174.700 -0.195 0.000 1.063 344 T CA 0.319 62.333 62.100 -0.144 0.000 1.140 344 T CB -0.232 68.552 68.868 -0.140 0.000 0.886 344 T HN 0.025 nan 8.240 nan 0.000 0.470 345 I N 1.879 122.263 120.570 -0.311 0.000 2.252 345 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 345 I C 3.170 179.031 176.117 -0.426 0.000 1.102 345 I CA 1.106 62.183 61.300 -0.371 0.000 1.385 345 I CB -0.502 37.205 38.000 -0.487 0.000 1.064 345 I HN 0.321 nan 8.210 nan 0.000 0.414 346 A N 0.762 123.201 122.820 -0.634 0.000 1.902 346 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 346 A C 2.523 180.050 177.584 -0.094 0.000 1.181 346 A CA 1.794 53.618 52.037 -0.356 0.000 0.623 346 A CB -0.811 18.033 19.000 -0.260 0.000 0.818 346 A HN 0.419 nan 8.150 nan 0.000 0.443 347 A N -0.460 122.298 122.820 -0.105 0.000 1.969 347 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 347 A C 1.990 179.566 177.584 -0.014 0.000 1.169 347 A CA 1.673 53.688 52.037 -0.038 0.000 0.635 347 A CB -0.505 18.469 19.000 -0.043 0.000 0.810 347 A HN 0.683 nan 8.150 nan 0.000 0.445 348 E N 0.038 120.222 120.200 -0.026 0.000 2.085 348 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 348 E C 1.236 177.917 176.600 0.135 0.000 0.994 348 E CA 1.498 57.916 56.400 0.030 0.000 0.801 348 E CB -0.167 29.549 29.700 0.025 0.000 0.743 348 E HN 0.538 nan 8.360 nan 0.000 0.453 349 D N 0.476 120.951 120.400 0.125 0.000 2.106 349 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 349 D C 2.034 178.446 176.300 0.187 0.000 0.997 349 D CA 1.298 55.408 54.000 0.182 0.000 0.834 349 D CB -0.293 40.606 40.800 0.164 0.000 0.956 349 D HN 0.333 nan 8.370 nan 0.000 0.448 350 I N 0.381 121.024 120.570 0.121 0.000 2.315 350 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 350 I C 2.354 178.515 176.117 0.072 0.000 1.117 350 I CA 0.551 61.911 61.300 0.101 0.000 1.404 350 I CB -0.155 37.887 38.000 0.070 0.000 1.071 350 I HN -0.017 nan 8.210 nan 0.000 0.419 351 L N -0.291 120.947 121.223 0.026 0.000 2.131 351 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 351 L C 2.678 179.486 176.870 -0.104 0.000 1.092 351 L CA 1.102 55.914 54.840 -0.047 0.000 0.759 351 L CB -0.929 41.070 42.059 -0.099 0.000 0.903 351 L HN 0.365 nan 8.230 nan 0.000 0.435 352 H N -0.439 118.619 119.070 -0.019 0.000 2.357 352 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 352 H C 1.746 176.979 175.328 -0.159 0.000 1.082 352 H CA 1.866 57.848 56.048 -0.110 0.000 1.342 352 H CB 0.048 29.762 29.762 -0.081 0.000 1.389 352 H HN 0.320 nan 8.280 nan 0.000 0.511 353 D N 0.340 120.834 120.400 0.156 0.000 2.178 353 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 353 D C 2.040 178.429 176.300 0.148 0.000 0.974 353 D CA 0.363 54.493 54.000 0.217 0.000 0.841 353 D CB -0.059 40.900 40.800 0.265 0.000 0.953 353 D HN 0.239 nan 8.370 nan 0.000 0.478 354 L N -1.178 120.099 121.223 0.090 0.000 2.554 354 L HA 0.211 4.551 4.340 -0.000 0.000 0.226 354 L C 1.465 178.377 176.870 0.068 0.000 1.137 354 L CA 0.442 55.333 54.840 0.084 0.000 0.863 354 L CB -0.032 42.056 42.059 0.049 0.000 0.985 354 L HN 0.218 nan 8.230 nan 0.000 0.451 355 G N 0.289 109.098 108.800 0.016 0.000 2.147 355 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.244 355 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.244 355 G C 0.662 175.542 174.900 -0.035 0.000 1.005 355 G CA 0.423 45.523 45.100 0.000 0.000 0.713 355 G HN 0.394 nan 8.290 nan 0.000 0.515 356 I N -0.391 120.137 120.570 -0.071 0.000 3.035 356 I HA 0.290 4.460 4.170 -0.000 0.000 0.271 356 I C 1.200 177.235 176.117 -0.137 0.000 1.190 356 I CA 0.480 61.730 61.300 -0.082 0.000 1.472 356 I CB 0.158 38.120 38.000 -0.063 0.000 1.116 356 I HN 0.154 nan 8.210 nan 0.000 0.443 357 I N 0.280 120.694 120.570 -0.260 0.000 2.321 357 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 357 I C 0.843 176.810 176.117 -0.249 0.000 0.998 357 I CA 0.052 61.141 61.300 -0.352 0.000 1.227 357 I CB 1.713 39.283 38.000 -0.718 0.000 1.368 357 I HN -0.088 nan 8.210 nan 0.000 0.466 358 S N 5.694 121.324 115.700 -0.117 0.000 2.503 358 S HA 0.335 4.804 4.470 -0.000 0.000 0.217 358 S C 0.400 174.987 174.600 -0.023 0.000 0.999 358 S CA 0.353 58.511 58.200 -0.070 0.000 0.914 358 S CB 0.163 63.314 63.200 -0.082 0.000 0.782 358 S HN 0.537 nan 8.310 nan 0.000 0.520 359 M N 0.690 120.315 119.600 0.041 0.000 2.575 359 M HA 0.497 4.977 4.480 -0.000 0.000 0.284 359 M C -1.249 175.165 176.300 0.190 0.000 1.253 359 M CA -0.369 54.980 55.300 0.082 0.000 0.861 359 M CB 2.096 34.716 32.600 0.034 0.000 1.733 359 M HN 0.018 nan 8.290 nan 0.000 0.462 360 M N 0.997 120.685 119.600 0.147 0.000 2.724 360 M HA 0.765 5.245 4.480 -0.000 0.000 0.310 360 M C -0.501 175.866 176.300 0.112 0.000 1.217 360 M CA -0.429 54.938 55.300 0.112 0.000 0.894 360 M CB 2.166 34.796 32.600 0.051 0.000 1.719 360 M HN 0.884 nan 8.290 nan 0.000 0.479 361 S N -1.070 114.666 115.700 0.060 0.000 2.636 361 S HA 0.489 4.959 4.470 -0.000 0.000 0.266 361 S C 0.169 174.744 174.600 -0.042 0.000 1.147 361 S CA -0.007 58.214 58.200 0.034 0.000 0.815 361 S CB 1.209 64.433 63.200 0.040 0.000 1.119 361 S HN 0.776 nan 8.310 nan 0.000 0.470 362 T N -2.272 112.243 114.554 -0.065 0.000 2.925 362 T HA 0.221 4.570 4.350 -0.000 0.000 0.245 362 T C 0.526 175.108 174.700 -0.196 0.000 1.025 362 T CA 1.369 63.408 62.100 -0.101 0.000 1.149 362 T CB -0.860 67.967 68.868 -0.068 0.000 0.866 362 T HN 1.083 nan 8.240 nan 0.000 0.437 363 D N 1.323 121.537 120.400 -0.309 0.000 2.947 363 D HA -0.116 4.524 4.640 -0.000 0.000 0.224 363 D C 0.164 176.417 176.300 -0.079 0.000 1.132 363 D CA 0.640 54.414 54.000 -0.377 0.000 0.801 363 D CB -1.714 38.790 40.800 -0.493 0.000 1.097 363 D HN 0.958 nan 8.370 nan 0.000 0.431 364 A N 0.397 123.204 122.820 -0.023 0.000 2.583 364 A HA 0.277 4.597 4.320 -0.000 0.000 0.249 364 A C 1.896 179.462 177.584 -0.031 0.000 1.035 364 A CA 1.171 53.190 52.037 -0.031 0.000 0.777 364 A CB -0.218 18.760 19.000 -0.037 0.000 0.942 364 A HN 1.080 nan 8.150 nan 0.000 0.516 365 L N -0.443 120.734 121.223 -0.076 0.000 5.051 365 L HA -0.382 3.957 4.340 -0.000 0.000 0.432 365 L C 1.694 178.461 176.870 -0.172 0.000 1.055 365 L CA 1.129 55.916 54.840 -0.088 0.000 1.095 365 L CB -1.785 40.252 42.059 -0.037 0.000 1.957 365 L HN 0.919 nan 8.230 nan 0.000 0.727 366 A N -1.086 121.551 122.820 -0.305 0.000 2.013 366 A HA 0.449 4.769 4.320 -0.000 0.000 0.204 366 A C 1.263 178.718 177.584 -0.215 0.000 1.262 366 A CA 1.039 52.817 52.037 -0.431 0.000 0.800 366 A CB 0.514 18.837 19.000 -1.130 0.000 0.909 366 A HN 0.379 nan 8.150 nan 0.000 0.472 367 M N -0.866 118.628 119.600 -0.177 0.000 5.733 367 M HA 0.358 4.838 4.480 -0.000 0.000 0.673 367 M C -0.608 175.613 176.300 -0.130 0.000 2.455 367 M CA 0.305 55.528 55.300 -0.128 0.000 0.243 367 M CB 0.556 33.105 32.600 -0.084 0.000 1.543 367 M HN 0.498 nan 8.290 nan 0.000 0.718 368 G N 1.004 109.726 108.800 -0.130 0.000 2.547 368 G HA2 0.586 4.546 3.960 -0.000 0.000 0.291 368 G HA3 0.586 4.546 3.960 -0.000 0.000 0.291 368 G C -2.008 172.834 174.900 -0.096 0.000 1.471 368 G CA -0.943 44.089 45.100 -0.114 0.000 0.798 368 G HN 0.314 nan 8.290 nan 0.000 0.504 369 R N 0.510 120.960 120.500 -0.084 0.000 2.310 369 R HA 0.546 4.886 4.340 -0.000 0.000 0.324 369 R C 1.094 177.354 176.300 -0.067 0.000 0.955 369 R CA -0.109 55.946 56.100 -0.075 0.000 0.830 369 R CB 1.880 32.132 30.300 -0.079 0.000 1.154 369 R HN 0.638 nan 8.270 nan 0.000 0.458 370 A N 2.559 125.345 122.820 -0.058 0.000 2.024 370 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 370 A C 1.500 179.058 177.584 -0.045 0.000 1.164 370 A CA 1.760 53.768 52.037 -0.049 0.000 0.643 370 A CB -0.080 18.895 19.000 -0.042 0.000 0.806 370 A HN 0.811 nan 8.150 nan 0.000 0.451 371 G N -1.330 107.443 108.800 -0.045 0.000 3.690 371 G HA2 0.396 4.356 3.960 -0.000 0.000 0.283 371 G HA3 0.396 4.356 3.960 -0.000 0.000 0.283 371 G C 0.399 175.281 174.900 -0.030 0.000 1.057 371 G CA 0.073 45.154 45.100 -0.031 0.000 0.821 371 G HN 0.529 nan 8.290 nan 0.000 0.526 372 E N -0.265 119.902 120.200 -0.055 0.000 2.714 372 E HA 0.163 4.512 4.350 -0.000 0.000 0.219 372 E C 1.681 178.228 176.600 -0.088 0.000 0.979 372 E CA -0.335 56.026 56.400 -0.065 0.000 1.092 372 E CB 0.528 30.181 29.700 -0.078 0.000 1.049 372 E HN 0.398 nan 8.360 nan 0.000 0.487 373 M N 0.629 120.169 119.600 -0.100 0.000 2.099 373 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 373 M C 1.851 177.993 176.300 -0.264 0.000 1.067 373 M CA 1.592 56.810 55.300 -0.136 0.000 1.124 373 M CB 0.138 32.680 32.600 -0.096 0.000 1.353 373 M HN 0.015 nan 8.290 nan 0.000 0.410 374 V N 0.844 120.547 119.914 -0.352 0.000 2.307 374 V HA -0.264 3.855 4.120 -0.000 0.000 0.245 374 V C 2.394 178.327 176.094 -0.269 0.000 1.045 374 V CA 1.686 63.630 62.300 -0.594 0.000 1.024 374 V CB -0.928 30.605 31.823 -0.484 0.000 0.651 374 V HN 0.571 nan 8.190 nan 0.000 0.449 375 L N 0.356 121.501 121.223 -0.130 0.000 1.997 375 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 375 L C 2.604 179.459 176.870 -0.025 0.000 1.074 375 L CA 2.177 56.996 54.840 -0.034 0.000 0.763 375 L CB -0.518 41.541 42.059 0.001 0.000 0.890 375 L HN 0.191 nan 8.230 nan 0.000 0.434 376 R N -1.759 118.695 120.500 -0.076 0.000 2.189 376 R HA -0.058 4.282 4.340 -0.000 0.000 0.218 376 R C 2.017 178.247 176.300 -0.116 0.000 1.074 376 R CA 1.267 57.326 56.100 -0.068 0.000 0.991 376 R CB -0.453 29.809 30.300 -0.063 0.000 0.883 376 R HN 0.437 nan 8.270 nan 0.000 0.457 377 T N 0.026 114.452 114.554 -0.213 0.000 2.652 377 T HA -0.189 4.160 4.350 -0.000 0.000 0.267 377 T C 1.244 175.712 174.700 -0.386 0.000 1.039 377 T CA 1.537 63.452 62.100 -0.309 0.000 1.153 377 T CB -0.242 68.373 68.868 -0.422 0.000 0.863 377 T HN 0.433 nan 8.240 nan 0.000 0.428 378 W N 1.522 122.802 121.300 -0.033 0.000 2.388 378 W HA -0.004 4.656 4.660 -0.000 0.000 0.294 378 W C 2.724 179.179 176.519 -0.107 0.000 1.212 378 W CA 0.243 57.542 57.345 -0.076 0.000 1.271 378 W CB -0.413 29.020 29.460 -0.045 0.000 1.126 378 W HN 0.308 nan 8.180 nan 0.000 0.535 379 Q N -0.265 119.586 119.800 0.084 0.000 2.096 379 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 379 Q C 2.037 178.037 176.000 -0.000 0.000 0.982 379 Q CA 2.328 58.157 55.803 0.043 0.000 0.850 379 Q CB -0.667 28.094 28.738 0.037 0.000 0.901 379 Q HN 0.226 nan 8.270 nan 0.000 0.422 380 T N 0.747 115.281 114.554 -0.033 0.000 2.708 380 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 380 T C 1.909 176.549 174.700 -0.101 0.000 1.037 380 T CA 1.240 63.335 62.100 -0.008 0.000 1.146 380 T CB -0.328 68.567 68.868 0.046 0.000 0.865 380 T HN 0.408 nan 8.240 nan 0.000 0.435 381 A N 1.461 124.026 122.820 -0.424 0.000 1.933 381 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 381 A C 2.061 179.505 177.584 -0.234 0.000 1.175 381 A CA 2.128 53.707 52.037 -0.764 0.000 0.628 381 A CB -0.832 17.481 19.000 -1.145 0.000 0.814 381 A HN 0.579 nan 8.150 nan 0.000 0.444 382 D N -0.702 119.645 120.400 -0.088 0.000 2.117 382 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 382 D C 1.972 178.276 176.300 0.006 0.000 0.982 382 D CA 1.617 55.610 54.000 -0.012 0.000 0.828 382 D CB -0.096 40.715 40.800 0.018 0.000 0.967 382 D HN 0.484 nan 8.370 nan 0.000 0.464 383 K N -0.570 119.836 120.400 0.010 0.000 2.057 383 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 383 K C 2.006 178.636 176.600 0.050 0.000 1.050 383 K CA 1.005 57.312 56.287 0.034 0.000 0.935 383 K CB -0.002 32.526 32.500 0.047 0.000 0.715 383 K HN 0.136 nan 8.250 nan 0.000 0.439 384 M N 1.270 120.902 119.600 0.054 0.000 2.159 384 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 384 M C 2.162 178.507 176.300 0.075 0.000 1.063 384 M CA 1.539 56.892 55.300 0.088 0.000 1.110 384 M CB -0.772 31.916 32.600 0.146 0.000 1.374 384 M HN 0.183 nan 8.290 nan 0.000 0.411 385 K N 0.778 121.209 120.400 0.052 0.000 2.032 385 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 385 K C 1.961 178.597 176.600 0.060 0.000 1.048 385 K CA 1.529 57.853 56.287 0.062 0.000 0.927 385 K CB 0.044 32.579 32.500 0.058 0.000 0.712 385 K HN 0.231 nan 8.250 nan 0.000 0.441 386 K N 0.175 120.606 120.400 0.052 0.000 2.057 386 K HA -0.167 4.152 4.320 -0.000 0.000 0.207 386 K C 2.317 178.945 176.600 0.048 0.000 1.049 386 K CA 1.813 58.128 56.287 0.048 0.000 0.931 386 K CB -0.011 32.513 32.500 0.040 0.000 0.714 386 K HN 0.333 nan 8.250 nan 0.000 0.440 387 Q N -0.378 119.453 119.800 0.053 0.000 2.302 387 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 387 Q C 1.544 177.579 176.000 0.057 0.000 0.936 387 Q CA 0.622 56.458 55.803 0.054 0.000 0.886 387 Q CB 0.468 29.244 28.738 0.063 0.000 0.986 387 Q HN 0.207 nan 8.270 nan 0.000 0.487 388 R N -0.546 119.993 120.500 0.065 0.000 2.419 388 R HA 0.247 4.587 4.340 -0.000 0.000 0.235 388 R C 0.297 176.632 176.300 0.058 0.000 0.899 388 R CA 0.455 56.593 56.100 0.065 0.000 1.048 388 R CB 1.422 31.771 30.300 0.082 0.000 1.182 388 R HN 0.161 nan 8.270 nan 0.000 0.544 389 G N 2.605 111.440 108.800 0.058 0.000 2.730 389 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 389 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 389 G C -2.715 172.223 174.900 0.063 0.000 1.343 389 G CA -1.258 43.874 45.100 0.053 0.000 0.826 389 G HN -0.085 nan 8.290 nan 0.000 0.582 390 P HA 0.244 nan 4.420 nan 0.000 0.263 390 P C 0.824 178.158 177.300 0.057 0.000 1.175 390 P CA 0.011 63.152 63.100 0.069 0.000 0.761 390 P CB 0.271 32.005 31.700 0.056 0.000 0.794 391 L N 1.782 123.048 121.223 0.071 0.000 2.473 391 L HA 0.095 4.435 4.340 -0.000 0.000 0.268 391 L C 1.973 178.814 176.870 -0.048 0.000 1.215 391 L CA -0.119 54.734 54.840 0.022 0.000 0.823 391 L CB -0.169 41.911 42.059 0.035 0.000 1.099 391 L HN 0.400 nan 8.230 nan 0.000 0.483 392 A N 1.147 123.919 122.820 -0.080 0.000 2.019 392 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 392 A C 1.873 179.383 177.584 -0.124 0.000 1.164 392 A CA 1.429 53.418 52.037 -0.081 0.000 0.644 392 A CB -0.467 18.492 19.000 -0.068 0.000 0.805 392 A HN 0.888 nan 8.150 nan 0.000 0.449 393 E N 0.861 120.907 120.200 -0.256 0.000 2.482 393 E HA -0.000 4.350 4.350 -0.000 0.000 0.196 393 E C 0.482 176.994 176.600 -0.146 0.000 1.047 393 E CA 0.259 56.469 56.400 -0.316 0.000 0.869 393 E CB 0.041 29.227 29.700 -0.857 0.000 0.836 393 E HN 0.604 nan 8.360 nan 0.000 0.520 394 E N 0.727 120.888 120.200 -0.064 0.000 2.416 394 E HA 0.077 4.427 4.350 -0.000 0.000 0.254 394 E C 0.589 177.206 176.600 0.028 0.000 1.241 394 E CA 0.285 56.706 56.400 0.034 0.000 0.969 394 E CB 0.769 30.503 29.700 0.056 0.000 0.999 394 E HN 0.061 nan 8.360 nan 0.000 0.481 395 K N 0.412 120.838 120.400 0.044 0.000 2.847 395 K HA 0.132 4.452 4.320 -0.000 0.000 0.251 395 K C 1.486 178.095 176.600 0.016 0.000 1.299 395 K CA -0.466 55.839 56.287 0.030 0.000 0.926 395 K CB -0.129 32.398 32.500 0.045 0.000 1.824 395 K HN 0.317 nan 8.250 nan 0.000 0.388 396 N N 0.049 118.757 118.700 0.014 0.000 2.125 396 N HA -0.058 4.682 4.740 -0.000 0.000 0.241 396 N C 1.000 176.499 175.510 -0.019 0.000 1.273 396 N CA 0.534 53.580 53.050 -0.008 0.000 0.947 396 N CB -0.073 38.407 38.487 -0.011 0.000 1.036 396 N HN 0.285 nan 8.380 nan 0.000 0.409 397 G N 0.019 108.791 108.800 -0.046 0.000 3.448 397 G HA2 0.100 4.059 3.960 -0.000 0.000 0.261 397 G HA3 0.100 4.059 3.960 -0.000 0.000 0.261 397 G C -0.104 174.786 174.900 -0.017 0.000 1.173 397 G CA -0.191 44.869 45.100 -0.066 0.000 0.835 397 G HN 0.435 nan 8.290 nan 0.000 0.534 398 S N -0.883 114.834 115.700 0.028 0.000 2.617 398 S HA 0.374 4.843 4.470 -0.000 0.000 0.283 398 S C -0.069 174.596 174.600 0.108 0.000 1.189 398 S CA -0.661 57.587 58.200 0.081 0.000 1.036 398 S CB 2.016 65.260 63.200 0.075 0.000 1.014 398 S HN 0.008 nan 8.310 nan 0.000 0.522 399 D N 1.690 122.172 120.400 0.137 0.000 2.491 399 D HA 0.161 4.801 4.640 -0.000 0.000 0.228 399 D C 0.412 176.780 176.300 0.113 0.000 1.183 399 D CA -0.042 54.038 54.000 0.134 0.000 0.827 399 D CB -0.140 40.742 40.800 0.136 0.000 0.989 399 D HN 0.480 nan 8.370 nan 0.000 0.494 400 N N 0.507 119.263 118.700 0.094 0.000 2.104 400 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 400 N C 1.389 176.897 175.510 -0.004 0.000 1.024 400 N CA 0.638 53.715 53.050 0.044 0.000 0.853 400 N CB -0.352 38.165 38.487 0.051 0.000 1.008 400 N HN 0.246 nan 8.380 nan 0.000 0.424 401 F N 1.549 121.456 119.950 -0.070 0.000 2.102 401 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 401 F C 2.514 178.236 175.800 -0.130 0.000 1.105 401 F CA 1.281 59.187 58.000 -0.157 0.000 1.239 401 F CB -0.119 38.870 39.000 -0.018 0.000 0.991 401 F HN -0.092 nan 8.300 nan 0.000 0.474 402 R N 0.348 120.999 120.500 0.250 0.000 2.081 402 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 402 R C 2.259 178.674 176.300 0.191 0.000 1.131 402 R CA 1.749 58.005 56.100 0.259 0.000 0.960 402 R CB -0.415 30.035 30.300 0.251 0.000 0.856 402 R HN 0.386 nan 8.270 nan 0.000 0.436 403 L N 0.339 121.647 121.223 0.141 0.000 2.083 403 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 403 L C 2.306 179.250 176.870 0.125 0.000 1.083 403 L CA 1.568 56.576 54.840 0.280 0.000 0.752 403 L CB -0.461 41.676 42.059 0.130 0.000 0.899 403 L HN 0.218 nan 8.230 nan 0.000 0.433 404 K N -0.029 120.218 120.400 -0.255 0.000 2.103 404 K HA -0.156 4.163 4.320 -0.000 0.000 0.204 404 K C 2.224 178.460 176.600 -0.606 0.000 1.052 404 K CA 0.824 56.785 56.287 -0.543 0.000 0.945 404 K CB -0.092 31.739 32.500 -1.114 0.000 0.722 404 K HN 0.157 nan 8.250 nan 0.000 0.443 405 R N 0.181 120.322 120.500 -0.599 0.000 2.081 405 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 405 R C 1.723 177.918 176.300 -0.175 0.000 1.131 405 R CA 1.626 57.544 56.100 -0.304 0.000 0.960 405 R CB -0.199 29.988 30.300 -0.188 0.000 0.856 405 R HN 0.188 nan 8.270 nan 0.000 0.436 406 Y N -0.790 119.389 120.300 -0.202 0.000 2.314 406 Y HA -0.072 4.477 4.550 -0.000 0.000 0.294 406 Y C 2.206 177.884 175.900 -0.369 0.000 1.119 406 Y CA 1.018 58.929 58.100 -0.314 0.000 1.179 406 Y CB -0.257 37.881 38.460 -0.536 0.000 1.025 406 Y HN -0.081 nan 8.280 nan 0.000 0.541 407 V N -0.963 118.912 119.914 -0.065 0.000 2.490 407 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 407 V C 2.061 177.927 176.094 -0.379 0.000 1.061 407 V CA 2.323 64.513 62.300 -0.183 0.000 1.064 407 V CB -0.514 31.408 31.823 0.164 0.000 0.670 407 V HN 0.403 nan 8.190 nan 0.000 0.461 408 S N -0.405 115.212 115.700 -0.140 0.000 2.399 408 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 408 S C 1.803 176.326 174.600 -0.129 0.000 1.022 408 S CA 1.540 59.701 58.200 -0.065 0.000 0.983 408 S CB -0.253 62.990 63.200 0.072 0.000 0.803 408 S HN 0.667 nan 8.310 nan 0.000 0.480 409 K N 0.503 120.817 120.400 -0.142 0.000 2.211 409 K HA -0.098 4.221 4.320 -0.000 0.000 0.203 409 K C 1.349 177.970 176.600 0.036 0.000 1.050 409 K CA 1.230 57.489 56.287 -0.047 0.000 0.945 409 K CB -0.145 32.338 32.500 -0.028 0.000 0.732 409 K HN 0.760 nan 8.250 nan 0.000 0.451 410 Y N -1.608 118.697 120.300 0.008 0.000 2.557 410 Y HA 0.274 4.824 4.550 -0.000 0.000 0.247 410 Y C 1.260 177.207 175.900 0.079 0.000 1.164 410 Y CA -0.156 57.967 58.100 0.037 0.000 1.218 410 Y CB -0.206 38.273 38.460 0.031 0.000 1.210 410 Y HN -0.064 nan 8.280 nan 0.000 0.529 411 T N -2.667 111.826 114.554 -0.102 0.000 3.463 411 T HA 0.123 4.473 4.350 -0.000 0.000 0.203 411 T C 1.299 175.998 174.700 -0.001 0.000 0.955 411 T CA 0.655 62.753 62.100 -0.002 0.000 1.230 411 T CB -0.759 68.090 68.868 -0.031 0.000 1.392 411 T HN 0.104 nan 8.240 nan 0.000 0.361 412 I N 2.809 123.357 120.570 -0.036 0.000 2.406 412 I HA 0.105 4.275 4.170 -0.000 0.000 0.249 412 I C 1.812 177.843 176.117 -0.143 0.000 1.122 412 I CA 1.065 62.306 61.300 -0.098 0.000 1.431 412 I CB -0.764 37.064 38.000 -0.287 0.000 1.087 412 I HN 0.214 nan 8.210 nan 0.000 0.424 413 N N 1.057 119.676 118.700 -0.135 0.000 2.120 413 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 413 N C -0.834 174.594 175.510 -0.137 0.000 1.024 413 N CA 1.691 54.657 53.050 -0.139 0.000 0.852 413 N CB -1.897 36.519 38.487 -0.117 0.000 1.003 413 N HN 0.306 nan 8.380 nan 0.000 0.424 414 P HA -0.017 nan 4.420 nan 0.000 0.217 414 P C 1.097 178.303 177.300 -0.158 0.000 1.150 414 P CA 1.427 64.469 63.100 -0.097 0.000 0.832 414 P CB -0.044 31.657 31.700 0.002 0.000 0.787 415 A N -0.532 122.205 122.820 -0.140 0.000 1.877 415 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 415 A C 2.221 179.700 177.584 -0.176 0.000 1.186 415 A CA 1.514 53.444 52.037 -0.180 0.000 0.620 415 A CB -1.649 17.288 19.000 -0.105 0.000 0.822 415 A HN 0.107 nan 8.150 nan 0.000 0.443 416 I N -0.302 120.182 120.570 -0.144 0.000 2.226 416 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 416 I C 2.978 179.009 176.117 -0.143 0.000 1.100 416 I CA 0.977 62.202 61.300 -0.125 0.000 1.374 416 I CB -0.351 37.568 38.000 -0.135 0.000 1.057 416 I HN 0.360 nan 8.210 nan 0.000 0.413 417 A N -0.022 122.689 122.820 -0.182 0.000 1.908 417 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 417 A C 2.211 179.691 177.584 -0.173 0.000 1.181 417 A CA 1.920 53.838 52.037 -0.198 0.000 0.627 417 A CB -0.541 18.265 19.000 -0.322 0.000 0.818 417 A HN 0.404 nan 8.150 nan 0.000 0.445 418 Q N -1.556 118.094 119.800 -0.250 0.000 2.425 418 Q HA 0.290 4.630 4.340 -0.000 0.000 0.204 418 Q C 0.951 176.790 176.000 -0.267 0.000 0.933 418 Q CA 0.926 56.515 55.803 -0.357 0.000 0.939 418 Q CB -0.040 28.224 28.738 -0.791 0.000 1.044 418 Q HN 1.007 nan 8.270 nan 0.000 0.513 419 G N 0.982 109.685 108.800 -0.162 0.000 2.160 419 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 419 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 419 G C 0.424 175.350 174.900 0.044 0.000 1.022 419 G CA 0.508 45.585 45.100 -0.038 0.000 0.741 419 G HN 0.615 nan 8.290 nan 0.000 0.508 420 I N -3.832 116.666 120.570 -0.119 0.000 4.050 420 I HA 0.701 4.871 4.170 -0.000 0.000 0.327 420 I C 1.665 177.666 176.117 -0.194 0.000 1.473 420 I CA 0.385 61.544 61.300 -0.234 0.000 1.124 420 I CB 0.457 37.980 38.000 -0.795 0.000 1.129 420 I HN 0.139 nan 8.210 nan 0.000 0.428 421 A N 1.820 124.625 122.820 -0.024 0.000 2.209 421 A HA -0.123 4.197 4.320 -0.000 0.000 0.212 421 A C 2.168 179.807 177.584 0.091 0.000 1.158 421 A CA 1.265 53.308 52.037 0.010 0.000 0.742 421 A CB -1.068 17.936 19.000 0.006 0.000 0.790 421 A HN 0.767 nan 8.150 nan 0.000 0.472 422 H N -1.040 118.079 119.070 0.082 0.000 2.457 422 H HA 0.025 4.581 4.556 -0.000 0.000 0.294 422 H C 0.971 176.416 175.328 0.194 0.000 1.064 422 H CA 1.368 57.490 56.048 0.123 0.000 1.330 422 H CB -0.054 29.771 29.762 0.105 0.000 1.395 422 H HN 0.487 nan 8.280 nan 0.000 0.541 423 E N 1.103 121.144 120.200 -0.265 0.000 2.206 423 E HA 0.144 4.493 4.350 -0.000 0.000 0.195 423 E C 1.256 177.938 176.600 0.136 0.000 0.935 423 E CA 0.805 57.201 56.400 -0.007 0.000 0.875 423 E CB 1.003 30.695 29.700 -0.014 0.000 0.841 423 E HN 0.407 nan 8.360 nan 0.000 0.477 424 V N -4.691 115.281 119.914 0.097 0.000 3.156 424 V HA 0.845 4.965 4.120 -0.000 0.000 0.310 424 V C 0.761 176.917 176.094 0.103 0.000 1.234 424 V CA -0.230 62.160 62.300 0.150 0.000 1.065 424 V CB 1.302 33.249 31.823 0.206 0.000 1.088 424 V HN 0.303 nan 8.190 nan 0.000 0.451 425 G N 0.146 109.022 108.800 0.126 0.000 2.176 425 G HA2 0.084 4.043 3.960 -0.000 0.000 0.232 425 G HA3 0.084 4.043 3.960 -0.000 0.000 0.232 425 G C 0.213 175.211 174.900 0.163 0.000 0.986 425 G CA 0.631 45.797 45.100 0.110 0.000 0.643 425 G HN 2.500 nan 8.290 nan 0.000 0.522 426 S N -1.247 114.572 115.700 0.199 0.000 2.567 426 S HA 0.652 5.122 4.470 -0.000 0.000 0.270 426 S C -0.653 174.061 174.600 0.190 0.000 1.152 426 S CA -0.813 57.537 58.200 0.250 0.000 0.835 426 S CB 1.302 64.760 63.200 0.429 0.000 1.115 426 S HN 0.749 nan 8.310 nan 0.000 0.459 427 I N 1.735 122.402 120.570 0.161 0.000 2.243 427 I HA 0.362 4.532 4.170 -0.000 0.000 0.297 427 I C 0.018 176.204 176.117 0.115 0.000 1.161 427 I CA 0.260 61.632 61.300 0.119 0.000 1.298 427 I CB -0.251 37.802 38.000 0.089 0.000 1.475 427 I HN 0.605 nan 8.210 nan 0.000 0.561 428 E N 4.477 124.751 120.200 0.124 0.000 2.340 428 E HA 0.328 4.678 4.350 -0.000 0.000 0.273 428 E C -0.932 175.737 176.600 0.115 0.000 0.891 428 E CA -0.926 55.542 56.400 0.113 0.000 0.757 428 E CB 2.225 32.004 29.700 0.132 0.000 1.231 428 E HN 0.394 nan 8.360 nan 0.000 0.439 429 E N 0.187 120.441 120.200 0.089 0.000 2.465 429 E HA 0.172 4.522 4.350 -0.000 0.000 0.260 429 E C 0.710 177.385 176.600 0.124 0.000 0.980 429 E CA 1.002 57.456 56.400 0.090 0.000 0.927 429 E CB 0.376 30.108 29.700 0.053 0.000 0.934 429 E HN 0.831 nan 8.360 nan 0.000 0.459 430 G N 2.855 111.753 108.800 0.163 0.000 2.175 430 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 430 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 430 G C 0.040 175.146 174.900 0.343 0.000 0.982 430 G CA -0.066 45.148 45.100 0.190 0.000 0.641 430 G HN 0.410 nan 8.290 nan 0.000 0.527 431 K N -0.508 120.101 120.400 0.348 0.000 2.166 431 K HA 0.618 4.938 4.320 -0.000 0.000 0.245 431 K C -0.298 176.476 176.600 0.289 0.000 0.967 431 K CA -1.119 55.391 56.287 0.370 0.000 0.863 431 K CB 1.452 34.093 32.500 0.235 0.000 1.107 431 K HN -0.006 nan 8.250 nan 0.000 0.436 432 F N 1.608 121.470 119.950 -0.146 0.000 2.602 432 F HA -0.007 4.520 4.527 -0.000 0.000 0.367 432 F C 0.518 176.176 175.800 -0.235 0.000 1.126 432 F CA -0.254 57.392 58.000 -0.589 0.000 1.321 432 F CB 0.459 39.190 39.000 -0.448 0.000 1.094 432 F HN 0.595 nan 8.300 nan 0.000 0.594 433 A N 4.840 127.272 122.820 -0.648 0.000 3.063 433 A HA 0.194 4.513 4.320 -0.000 0.000 0.263 433 A C -0.608 176.749 177.584 -0.379 0.000 1.736 433 A CA -0.463 51.340 52.037 -0.390 0.000 1.408 433 A CB -1.141 17.666 19.000 -0.321 0.000 1.108 433 A HN 0.552 nan 8.150 nan 0.000 0.621 434 D N 1.441 121.731 120.400 -0.184 0.000 2.428 434 D HA 0.518 5.157 4.640 -0.000 0.000 0.221 434 D C -0.429 175.878 176.300 0.011 0.000 1.123 434 D CA 0.498 54.471 54.000 -0.046 0.000 0.869 434 D CB 0.931 41.796 40.800 0.109 0.000 1.032 434 D HN 0.385 nan 8.370 nan 0.000 0.506 435 L N 1.362 122.578 121.223 -0.012 0.000 2.401 435 L HA 0.571 4.911 4.340 -0.000 0.000 0.266 435 L C -0.657 176.209 176.870 -0.006 0.000 0.991 435 L CA -1.146 53.705 54.840 0.018 0.000 0.818 435 L CB 2.568 44.623 42.059 -0.008 0.000 1.321 435 L HN -0.077 nan 8.230 nan 0.000 0.413 436 V N 3.516 123.439 119.914 0.014 0.000 2.407 436 V HA 0.418 4.538 4.120 -0.000 0.000 0.291 436 V C -0.340 175.648 176.094 -0.176 0.000 1.018 436 V CA -0.483 61.729 62.300 -0.146 0.000 0.842 436 V CB 1.754 33.459 31.823 -0.196 0.000 0.996 436 V HN 0.424 nan 8.190 nan 0.000 0.426 437 L N 4.845 125.919 121.223 -0.248 0.000 2.292 437 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 437 L C -0.838 175.885 176.870 -0.246 0.000 1.065 437 L CA 0.264 55.037 54.840 -0.112 0.000 0.806 437 L CB 1.041 43.074 42.059 -0.044 0.000 1.175 437 L HN 0.587 nan 8.230 nan 0.000 0.431 438 W N 1.675 123.045 121.300 0.117 0.000 2.739 438 W HA 0.500 5.159 4.660 -0.000 0.000 0.331 438 W C -0.185 176.426 176.519 0.154 0.000 1.049 438 W CA -0.598 56.834 57.345 0.146 0.000 1.234 438 W CB 0.984 30.593 29.460 0.249 0.000 1.404 438 W HN 0.374 nan 8.180 nan 0.000 0.477 439 E N 3.378 123.820 120.200 0.402 0.000 2.360 439 E HA 0.009 4.359 4.350 -0.000 0.000 0.269 439 E C -1.534 175.249 176.600 0.305 0.000 1.022 439 E CA -1.144 55.446 56.400 0.316 0.000 0.887 439 E CB 0.979 30.898 29.700 0.365 0.000 0.990 439 E HN 0.083 nan 8.360 nan 0.000 0.426 440 P HA -0.261 nan 4.420 nan 0.000 0.216 440 P C 1.145 178.455 177.300 0.017 0.000 1.150 440 P CA 1.668 64.799 63.100 0.052 0.000 0.843 440 P CB 0.105 31.782 31.700 -0.037 0.000 0.787 441 K N -1.495 118.887 120.400 -0.031 0.000 2.209 441 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 441 K C 0.865 177.369 176.600 -0.159 0.000 1.048 441 K CA 1.480 57.670 56.287 -0.163 0.000 0.940 441 K CB -0.735 31.579 32.500 -0.310 0.000 0.729 441 K HN 0.106 nan 8.250 nan 0.000 0.451 442 F N 0.628 120.662 119.950 0.139 0.000 2.639 442 F HA 0.278 4.805 4.527 -0.000 0.000 0.302 442 F C 0.139 175.947 175.800 0.012 0.000 1.097 442 F CA -1.640 56.404 58.000 0.072 0.000 1.294 442 F CB -0.006 39.076 39.000 0.137 0.000 1.027 442 F HN -0.105 nan 8.300 nan 0.000 0.550 443 F N 1.160 121.090 119.950 -0.034 0.000 2.602 443 F HA 0.369 4.896 4.527 -0.000 0.000 0.385 443 F C 1.340 176.767 175.800 -0.622 0.000 1.063 443 F CA 0.874 58.649 58.000 -0.375 0.000 1.233 443 F CB 0.425 39.118 39.000 -0.511 0.000 1.067 443 F HN 0.296 nan 8.300 nan 0.000 0.564 444 G N 3.446 110.899 108.800 -2.246 0.000 2.184 444 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 444 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 444 G C 0.531 175.152 174.900 -0.465 0.000 0.975 444 G CA 0.475 44.663 45.100 -1.520 0.000 0.642 444 G HN 0.758 nan 8.290 nan 0.000 0.536 445 V N -0.694 119.099 119.914 -0.202 0.000 2.602 445 V HA 0.382 4.502 4.120 -0.000 0.000 0.235 445 V C 1.046 177.234 176.094 0.156 0.000 1.087 445 V CA 1.841 64.109 62.300 -0.052 0.000 1.117 445 V CB 0.201 31.768 31.823 -0.426 0.000 0.820 445 V HN 0.287 nan 8.190 nan 0.000 0.490 446 K N 0.402 120.927 120.400 0.209 0.000 2.578 446 K HA 0.676 4.996 4.320 -0.000 0.000 0.250 446 K C -0.759 175.867 176.600 0.043 0.000 0.955 446 K CA -0.288 56.049 56.287 0.083 0.000 0.825 446 K CB 2.196 34.610 32.500 -0.143 0.000 1.151 446 K HN 0.357 nan 8.250 nan 0.000 0.432 447 A N 1.724 124.405 122.820 -0.232 0.000 2.498 447 A HA -0.019 4.301 4.320 -0.000 0.000 0.239 447 A C 0.792 178.185 177.584 -0.317 0.000 1.068 447 A CA 0.217 51.855 52.037 -0.663 0.000 0.766 447 A CB 0.216 18.715 19.000 -0.836 0.000 1.003 447 A HN 0.930 nan 8.150 nan 0.000 0.497 448 D N 1.009 121.241 120.400 -0.281 0.000 2.106 448 D HA -0.012 4.628 4.640 -0.000 0.000 0.203 448 D C 0.560 176.769 176.300 -0.152 0.000 0.977 448 D CA 1.311 55.220 54.000 -0.151 0.000 0.844 448 D CB 0.149 40.912 40.800 -0.061 0.000 1.002 448 D HN 0.554 nan 8.370 nan 0.000 0.461 449 R N -0.678 119.718 120.500 -0.174 0.000 2.564 449 R HA 0.562 4.902 4.340 -0.000 0.000 0.284 449 R C -1.575 174.637 176.300 -0.146 0.000 1.031 449 R CA -0.794 55.233 56.100 -0.123 0.000 0.904 449 R CB 2.955 33.205 30.300 -0.085 0.000 1.199 449 R HN -0.116 nan 8.270 nan 0.000 0.443 450 V N 5.161 125.029 119.914 -0.077 0.000 2.357 450 V HA 0.423 4.542 4.120 -0.000 0.000 0.284 450 V C 0.036 176.111 176.094 -0.033 0.000 1.018 450 V CA -0.626 61.633 62.300 -0.068 0.000 0.841 450 V CB 1.455 33.262 31.823 -0.026 0.000 0.991 450 V HN 0.610 nan 8.190 nan 0.000 0.437 451 I N 5.656 126.195 120.570 -0.051 0.000 2.365 451 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 451 I C 0.092 176.166 176.117 -0.073 0.000 1.004 451 I CA -0.360 60.903 61.300 -0.062 0.000 1.311 451 I CB 1.006 38.959 38.000 -0.079 0.000 1.401 451 I HN 0.350 nan 8.210 nan 0.000 0.491 452 K N 4.463 124.813 120.400 -0.084 0.000 2.502 452 K HA 0.336 4.656 4.320 -0.000 0.000 0.254 452 K C 0.307 176.764 176.600 -0.238 0.000 0.947 452 K CA -0.483 55.749 56.287 -0.092 0.000 0.834 452 K CB 1.780 34.293 32.500 0.022 0.000 1.112 452 K HN 0.866 nan 8.250 nan 0.000 0.427 453 G N 1.620 110.001 108.800 -0.699 0.000 2.283 453 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.280 453 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.280 453 G C 0.794 175.397 174.900 -0.495 0.000 1.029 453 G CA 1.252 45.704 45.100 -1.081 0.000 0.840 453 G HN 1.135 nan 8.290 nan 0.000 0.505 454 G N -2.021 106.551 108.800 -0.379 0.000 2.179 454 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 454 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 454 G C 0.185 175.014 174.900 -0.120 0.000 0.977 454 G CA 0.552 45.529 45.100 -0.204 0.000 0.641 454 G HN 1.243 nan 8.290 nan 0.000 0.533 455 I N 0.836 121.345 120.570 -0.102 0.000 2.545 455 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 455 I C 0.776 176.872 176.117 -0.035 0.000 1.040 455 I CA -1.468 59.803 61.300 -0.048 0.000 1.068 455 I CB 1.734 39.724 38.000 -0.018 0.000 1.251 455 I HN -0.020 nan 8.210 nan 0.000 0.424 456 I N 4.407 124.966 120.570 -0.018 0.000 2.668 456 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 456 I C 1.262 177.385 176.117 0.010 0.000 1.168 456 I CA 0.380 61.672 61.300 -0.012 0.000 1.424 456 I CB 1.012 39.003 38.000 -0.014 0.000 1.377 456 I HN 0.765 nan 8.210 nan 0.000 0.560 457 A N 6.409 129.241 122.820 0.021 0.000 2.035 457 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 457 A C 0.238 177.882 177.584 0.100 0.000 1.206 457 A CA 0.628 52.696 52.037 0.052 0.000 0.773 457 A CB 0.315 19.352 19.000 0.062 0.000 0.878 457 A HN 0.648 nan 8.150 nan 0.000 0.469 458 Y N -1.392 118.867 120.300 -0.068 0.000 2.479 458 Y HA 0.556 5.106 4.550 -0.000 0.000 0.338 458 Y C -0.721 175.119 175.900 -0.100 0.000 1.055 458 Y CA -0.593 57.459 58.100 -0.081 0.000 1.023 458 Y CB 1.627 40.041 38.460 -0.076 0.000 1.287 458 Y HN 0.315 nan 8.280 nan 0.000 0.447 459 A N 4.318 126.874 122.820 -0.440 0.000 2.572 459 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 459 A C -1.792 175.581 177.584 -0.352 0.000 1.072 459 A CA -0.930 50.943 52.037 -0.273 0.000 0.691 459 A CB 1.876 20.766 19.000 -0.184 0.000 1.291 459 A HN 0.553 nan 8.150 nan 0.000 0.404 460 Q N 1.132 120.802 119.800 -0.217 0.000 2.344 460 Q HA 0.474 4.814 4.340 -0.000 0.000 0.253 460 Q C -1.013 174.894 176.000 -0.155 0.000 1.050 460 Q CA 0.470 56.157 55.803 -0.192 0.000 0.912 460 Q CB 1.042 29.667 28.738 -0.189 0.000 1.258 460 Q HN 0.648 nan 8.270 nan 0.000 0.443 461 I N 0.280 120.759 120.570 -0.152 0.000 3.006 461 I HA 0.608 4.778 4.170 -0.000 0.000 0.306 461 I C -0.192 175.870 176.117 -0.091 0.000 1.250 461 I CA -0.715 60.519 61.300 -0.110 0.000 0.996 461 I CB 2.188 40.120 38.000 -0.114 0.000 1.261 461 I HN 0.573 nan 8.210 nan 0.000 0.442 462 G N 1.978 110.741 108.800 -0.062 0.000 2.641 462 G HA2 0.156 4.116 3.960 -0.000 0.000 0.239 462 G HA3 0.156 4.116 3.960 -0.000 0.000 0.239 462 G C -0.833 174.042 174.900 -0.042 0.000 1.402 462 G CA -0.350 44.722 45.100 -0.046 0.000 1.046 462 G HN 0.611 nan 8.290 nan 0.000 0.565 463 D N 0.672 121.055 120.400 -0.029 0.000 2.570 463 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 463 D C -0.893 175.394 176.300 -0.023 0.000 1.171 463 D CA -1.195 52.791 54.000 -0.023 0.000 0.879 463 D CB 1.279 42.070 40.800 -0.015 0.000 1.143 463 D HN -0.014 nan 8.370 nan 0.000 0.511 464 P HA -0.076 nan 4.420 nan 0.000 0.233 464 P C 0.771 178.065 177.300 -0.010 0.000 1.167 464 P CA 0.561 63.648 63.100 -0.023 0.000 0.770 464 P CB 0.140 31.821 31.700 -0.032 0.000 0.837 465 S N -1.897 113.797 115.700 -0.009 0.000 2.556 465 S HA 0.411 4.881 4.470 -0.000 0.000 0.216 465 S C 0.993 175.592 174.600 -0.002 0.000 0.970 465 S CA -0.336 57.862 58.200 -0.004 0.000 0.912 465 S CB -0.428 62.770 63.200 -0.005 0.000 0.790 465 S HN 0.113 nan 8.310 nan 0.000 0.504 466 A N 1.777 124.595 122.820 -0.003 0.000 2.257 466 A HA 0.664 4.984 4.320 -0.000 0.000 0.289 466 A C 1.481 179.065 177.584 0.001 0.000 1.095 466 A CA 0.017 52.053 52.037 -0.002 0.000 0.836 466 A CB 0.414 19.412 19.000 -0.004 0.000 1.111 466 A HN 0.588 nan 8.150 nan 0.000 0.497 467 S N -0.379 115.323 115.700 0.002 0.000 2.423 467 S HA 0.049 4.519 4.470 -0.000 0.000 0.231 467 S C 0.644 175.247 174.600 0.006 0.000 1.014 467 S CA 1.227 59.429 58.200 0.004 0.000 0.965 467 S CB -0.993 62.209 63.200 0.003 0.000 0.785 467 S HN 0.972 nan 8.310 nan 0.000 0.495 468 I N -3.956 116.617 120.570 0.005 0.000 3.191 468 I HA 0.522 4.692 4.170 -0.000 0.000 0.313 468 I C -2.846 173.272 176.117 0.002 0.000 1.193 468 I CA -2.847 58.456 61.300 0.006 0.000 0.968 468 I CB 1.724 39.728 38.000 0.007 0.000 1.262 468 I HN -0.345 nan 8.210 nan 0.000 0.456 469 P HA 0.076 nan 4.420 nan 0.000 0.251 469 P C 1.063 178.354 177.300 -0.014 0.000 1.223 469 P CA 0.616 63.711 63.100 -0.008 0.000 0.796 469 P CB 0.068 31.763 31.700 -0.008 0.000 1.068 470 T N -4.668 109.882 114.554 -0.007 0.000 3.054 470 T HA 0.162 4.512 4.350 -0.000 0.000 0.259 470 T C -1.475 173.221 174.700 -0.006 0.000 1.092 470 T CA -0.281 61.816 62.100 -0.006 0.000 1.121 470 T CB -2.029 66.841 68.868 0.003 0.000 0.912 470 T HN 0.102 nan 8.240 nan 0.000 0.489 471 P HA 0.192 nan 4.420 nan 0.000 0.269 471 P C 0.099 177.393 177.300 -0.009 0.000 1.215 471 P CA -0.214 62.883 63.100 -0.005 0.000 0.780 471 P CB 0.356 32.054 31.700 -0.004 0.000 0.898 472 Q N 2.313 122.109 119.800 -0.007 0.000 2.421 472 Q HA 0.196 4.535 4.340 -0.000 0.000 0.255 472 Q C -1.978 174.016 176.000 -0.010 0.000 1.013 472 Q CA -1.187 54.611 55.803 -0.008 0.000 0.895 472 Q CB -0.567 28.169 28.738 -0.003 0.000 1.271 472 Q HN 0.364 nan 8.270 nan 0.000 0.460 473 P HA 0.197 nan 4.420 nan 0.000 0.293 473 P C -0.735 176.549 177.300 -0.028 0.000 1.300 473 P CA -0.437 62.655 63.100 -0.014 0.000 0.792 473 P CB 0.862 32.558 31.700 -0.008 0.000 0.925 474 V N 5.649 125.544 119.914 -0.031 0.000 2.455 474 V HA 0.367 4.487 4.120 -0.000 0.000 0.273 474 V C 0.712 176.769 176.094 -0.062 0.000 1.045 474 V CA 0.277 62.546 62.300 -0.053 0.000 0.976 474 V CB -0.107 31.685 31.823 -0.051 0.000 0.993 474 V HN 0.643 nan 8.190 nan 0.000 0.475 475 M N 3.609 123.160 119.600 -0.082 0.000 2.622 475 M HA 0.780 5.260 4.480 -0.000 0.000 0.276 475 M C -0.026 176.194 176.300 -0.132 0.000 1.265 475 M CA -0.728 54.528 55.300 -0.074 0.000 0.850 475 M CB 1.994 34.569 32.600 -0.042 0.000 1.720 475 M HN 0.508 nan 8.290 nan 0.000 0.465 476 G N 1.703 110.446 108.800 -0.095 0.000 2.343 476 G HA2 0.575 4.534 3.960 -0.000 0.000 0.254 476 G HA3 0.575 4.534 3.960 -0.000 0.000 0.254 476 G C -0.819 173.820 174.900 -0.434 0.000 1.277 476 G CA -0.514 44.441 45.100 -0.241 0.000 0.909 476 G HN 0.706 nan 8.290 nan 0.000 0.502 477 R N 1.667 121.654 120.500 -0.855 0.000 2.651 477 R HA 0.305 4.644 4.340 -0.000 0.000 0.278 477 R C -0.290 175.600 176.300 -0.683 0.000 1.010 477 R CA -1.021 54.739 56.100 -0.567 0.000 0.896 477 R CB 2.509 32.608 30.300 -0.335 0.000 1.211 477 R HN 0.535 nan 8.270 nan 0.000 0.456 478 R N 2.084 122.423 120.500 -0.269 0.000 2.537 478 R HA 0.177 4.517 4.340 -0.000 0.000 0.280 478 R C 0.256 176.440 176.300 -0.193 0.000 1.058 478 R CA 0.259 56.303 56.100 -0.093 0.000 1.057 478 R CB 0.470 30.776 30.300 0.010 0.000 0.973 478 R HN 0.247 nan 8.270 nan 0.000 0.438 479 M N 1.316 120.825 119.600 -0.151 0.000 2.799 479 M HA 0.162 4.642 4.480 -0.000 0.000 0.274 479 M C 1.019 177.208 176.300 -0.184 0.000 1.137 479 M CA -0.593 54.583 55.300 -0.208 0.000 0.897 479 M CB -0.045 32.491 32.600 -0.107 0.000 1.567 479 M HN 0.515 nan 8.290 nan 0.000 0.536 480 Y N 0.383 120.659 120.300 -0.039 0.000 2.333 480 Y HA -0.064 4.486 4.550 -0.000 0.000 0.290 480 Y C 2.193 178.074 175.900 -0.032 0.000 1.144 480 Y CA 1.702 59.781 58.100 -0.035 0.000 1.228 480 Y CB -1.006 37.433 38.460 -0.036 0.000 0.985 480 Y HN 0.850 nan 8.280 nan 0.000 0.542 481 G N -0.917 107.938 108.800 0.093 0.000 2.479 481 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 481 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 481 G C 1.647 176.561 174.900 0.024 0.000 1.115 481 G CA 1.575 46.704 45.100 0.049 0.000 0.757 481 G HN 0.467 nan 8.290 nan 0.000 0.560 482 T N -2.050 112.509 114.554 0.009 0.000 3.107 482 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 482 T C 0.560 175.241 174.700 -0.031 0.000 1.096 482 T CA -0.223 61.873 62.100 -0.008 0.000 1.012 482 T CB 0.284 69.153 68.868 0.002 0.000 0.977 482 T HN -0.074 nan 8.240 nan 0.000 0.527 483 V N 1.588 121.491 119.914 -0.018 0.000 2.617 483 V HA 0.685 4.805 4.120 -0.000 0.000 0.298 483 V C 1.504 177.580 176.094 -0.030 0.000 1.048 483 V CA 0.107 62.397 62.300 -0.016 0.000 0.964 483 V CB 0.410 32.247 31.823 0.024 0.000 1.004 483 V HN 0.794 nan 8.190 nan 0.000 0.466 484 G N 4.011 112.784 108.800 -0.045 0.000 2.566 484 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 484 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 484 G C 0.316 175.117 174.900 -0.166 0.000 1.225 484 G CA 0.516 45.580 45.100 -0.061 0.000 0.966 484 G HN 0.679 nan 8.290 nan 0.000 0.560 485 D N 0.171 120.484 120.400 -0.144 0.000 2.349 485 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 485 D C 2.384 178.551 176.300 -0.221 0.000 1.029 485 D CA 0.359 54.208 54.000 -0.251 0.000 0.879 485 D CB 0.170 40.974 40.800 0.007 0.000 0.906 485 D HN 0.254 nan 8.370 nan 0.000 0.528 486 L N 0.892 122.043 121.223 -0.120 0.000 2.201 486 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 486 L C 1.872 178.705 176.870 -0.063 0.000 1.105 486 L CA 0.920 55.730 54.840 -0.051 0.000 0.775 486 L CB -0.396 41.662 42.059 -0.002 0.000 0.913 486 L HN 0.007 nan 8.230 nan 0.000 0.440 487 I N -1.115 119.363 120.570 -0.154 0.000 2.423 487 I HA -0.386 3.784 4.170 -0.000 0.000 0.254 487 I C 2.057 178.151 176.117 -0.039 0.000 1.151 487 I CA 1.451 62.684 61.300 -0.112 0.000 1.421 487 I CB -0.097 37.814 38.000 -0.149 0.000 1.079 487 I HN 0.487 nan 8.210 nan 0.000 0.431 488 H N -0.614 118.469 119.070 0.023 0.000 2.428 488 H HA -0.094 4.461 4.556 -0.000 0.000 0.296 488 H C 1.247 176.592 175.328 0.029 0.000 1.062 488 H CA 1.014 57.069 56.048 0.012 0.000 1.350 488 H CB 0.167 29.931 29.762 0.003 0.000 1.403 488 H HN 0.307 nan 8.280 nan 0.000 0.533 489 D N -0.586 119.905 120.400 0.151 0.000 2.354 489 D HA -0.053 4.587 4.640 -0.000 0.000 0.209 489 D C 1.826 178.239 176.300 0.189 0.000 1.015 489 D CA 0.974 55.061 54.000 0.146 0.000 0.867 489 D CB 0.144 41.012 40.800 0.113 0.000 0.933 489 D HN 0.461 nan 8.370 nan 0.000 0.520 490 T N -2.765 111.885 114.554 0.161 0.000 3.086 490 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 490 T C 0.687 175.563 174.700 0.294 0.000 1.074 490 T CA -0.276 61.937 62.100 0.187 0.000 0.988 490 T CB 0.514 69.426 68.868 0.072 0.000 0.988 490 T HN -0.162 nan 8.240 nan 0.000 0.530 491 N N 0.668 119.492 118.700 0.207 0.000 2.262 491 N HA 0.564 5.304 4.740 -0.000 0.000 0.295 491 N C -1.515 173.961 175.510 -0.056 0.000 1.161 491 N CA -0.636 52.490 53.050 0.127 0.000 0.767 491 N CB 2.453 40.992 38.487 0.086 0.000 1.499 491 N HN 0.181 nan 8.380 nan 0.000 0.476 492 I N 0.899 121.350 120.570 -0.198 0.000 2.406 492 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 492 I C -0.025 175.850 176.117 -0.404 0.000 0.999 492 I CA -0.462 60.558 61.300 -0.466 0.000 1.124 492 I CB 1.877 39.325 38.000 -0.921 0.000 1.289 492 I HN 0.207 nan 8.210 nan 0.000 0.441 493 T N 6.299 120.642 114.554 -0.352 0.000 2.728 493 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 493 T C -0.338 174.174 174.700 -0.313 0.000 0.940 493 T CA -0.193 61.759 62.100 -0.247 0.000 1.013 493 T CB -0.048 68.724 68.868 -0.159 0.000 0.912 493 T HN 0.090 nan 8.240 nan 0.000 0.484 494 F N 3.732 123.663 119.950 -0.032 0.000 2.410 494 F HA 0.559 5.086 4.527 -0.000 0.000 0.348 494 F C 0.675 176.486 175.800 0.019 0.000 1.106 494 F CA -0.593 57.439 58.000 0.053 0.000 1.163 494 F CB 0.695 39.847 39.000 0.254 0.000 1.129 494 F HN 0.265 nan 8.300 nan 0.000 0.516 495 M N 1.488 121.216 119.600 0.213 0.000 2.575 495 M HA 0.338 4.818 4.480 -0.000 0.000 0.284 495 M C -0.350 176.033 176.300 0.137 0.000 1.253 495 M CA -1.054 54.318 55.300 0.120 0.000 0.861 495 M CB 2.546 35.168 32.600 0.037 0.000 1.733 495 M HN 0.569 nan 8.290 nan 0.000 0.462 496 S N 0.331 116.087 115.700 0.094 0.000 2.576 496 S HA 0.174 4.643 4.470 -0.000 0.000 0.272 496 S C 0.638 175.274 174.600 0.060 0.000 1.352 496 S CA -0.297 57.950 58.200 0.080 0.000 1.021 496 S CB 0.861 64.091 63.200 0.051 0.000 0.887 496 S HN 0.776 nan 8.310 nan 0.000 0.542 497 K N 1.145 121.576 120.400 0.052 0.000 2.063 497 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 497 K C 2.627 179.239 176.600 0.020 0.000 1.048 497 K CA 1.725 58.032 56.287 0.034 0.000 0.928 497 K CB -0.473 32.041 32.500 0.022 0.000 0.713 497 K HN 0.851 nan 8.250 nan 0.000 0.442 498 S N 0.797 116.507 115.700 0.016 0.000 2.368 498 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 498 S C 2.177 176.780 174.600 0.005 0.000 1.029 498 S CA 1.506 59.711 58.200 0.008 0.000 0.988 498 S CB -0.471 62.732 63.200 0.005 0.000 0.838 498 S HN 0.344 nan 8.310 nan 0.000 0.462 499 S N 2.228 117.932 115.700 0.007 0.000 2.399 499 S HA 0.016 4.485 4.470 -0.000 0.000 0.231 499 S C 1.866 176.463 174.600 -0.004 0.000 1.022 499 S CA 1.013 59.213 58.200 -0.001 0.000 0.983 499 S CB -0.920 62.278 63.200 -0.003 0.000 0.803 499 S HN 0.574 nan 8.310 nan 0.000 0.480 500 I N 1.570 122.142 120.570 0.003 0.000 2.252 500 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 500 I C 3.045 179.160 176.117 -0.003 0.000 1.102 500 I CA 1.619 62.919 61.300 -0.000 0.000 1.385 500 I CB -0.418 37.589 38.000 0.010 0.000 1.064 500 I HN 0.405 nan 8.210 nan 0.000 0.414 501 Q N 0.830 120.630 119.800 0.000 0.000 2.167 501 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 501 Q C 1.865 177.862 176.000 -0.005 0.000 0.970 501 Q CA 1.329 57.130 55.803 -0.002 0.000 0.855 501 Q CB 0.103 28.841 28.738 -0.001 0.000 0.911 501 Q HN 0.546 nan 8.270 nan 0.000 0.438 502 Q N -1.100 118.697 119.800 -0.006 0.000 2.415 502 Q HA 0.115 4.455 4.340 -0.000 0.000 0.206 502 Q C 0.484 176.478 176.000 -0.012 0.000 0.946 502 Q CA 0.369 56.168 55.803 -0.008 0.000 0.951 502 Q CB 0.606 29.340 28.738 -0.007 0.000 1.026 502 Q HN 0.576 nan 8.270 nan 0.000 0.510 503 G N 0.402 109.194 108.800 -0.014 0.000 2.160 503 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 503 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 503 G C 0.721 175.606 174.900 -0.025 0.000 1.022 503 G CA 0.266 45.355 45.100 -0.019 0.000 0.741 503 G HN 0.283 nan 8.290 nan 0.000 0.508 504 V N 0.461 120.359 119.914 -0.027 0.000 2.332 504 V HA -0.162 3.957 4.120 -0.000 0.000 0.248 504 V C 0.953 177.018 176.094 -0.048 0.000 1.055 504 V CA 2.685 64.963 62.300 -0.036 0.000 1.038 504 V CB -0.954 30.848 31.823 -0.035 0.000 0.651 504 V HN 0.423 nan 8.190 nan 0.000 0.450 505 P HA -0.157 nan 4.420 nan 0.000 0.215 505 P C 1.737 179.000 177.300 -0.062 0.000 1.157 505 P CA 2.117 65.179 63.100 -0.063 0.000 0.868 505 P CB -0.168 31.496 31.700 -0.060 0.000 0.788 506 A N -0.049 122.742 122.820 -0.048 0.000 1.930 506 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 506 A C 2.278 179.836 177.584 -0.043 0.000 1.175 506 A CA 1.720 53.731 52.037 -0.044 0.000 0.627 506 A CB -1.206 17.774 19.000 -0.033 0.000 0.815 506 A HN 0.120 nan 8.150 nan 0.000 0.443 507 K N -0.096 120.280 120.400 -0.040 0.000 2.063 507 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 507 K C 1.497 178.069 176.600 -0.047 0.000 1.048 507 K CA 1.597 57.862 56.287 -0.036 0.000 0.928 507 K CB -0.274 32.207 32.500 -0.032 0.000 0.713 507 K HN 0.500 nan 8.250 nan 0.000 0.442 508 L N -0.298 120.888 121.223 -0.061 0.000 2.558 508 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 508 L C 1.019 177.840 176.870 -0.082 0.000 1.128 508 L CA 0.399 55.193 54.840 -0.077 0.000 0.868 508 L CB 0.074 42.076 42.059 -0.095 0.000 1.006 508 L HN 0.545 nan 8.230 nan 0.000 0.454 509 G N 1.313 110.067 108.800 -0.077 0.000 2.198 509 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.257 509 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.257 509 G C 0.145 174.973 174.900 -0.121 0.000 1.042 509 G CA -0.218 44.830 45.100 -0.086 0.000 0.791 509 G HN 0.245 nan 8.290 nan 0.000 0.502 510 L N -0.383 120.766 121.223 -0.123 0.000 2.410 510 L HA 0.286 4.625 4.340 -0.000 0.000 0.273 510 L C 1.463 178.220 176.870 -0.188 0.000 1.152 510 L CA -0.309 54.438 54.840 -0.155 0.000 0.855 510 L CB 0.655 42.638 42.059 -0.128 0.000 1.129 510 L HN -0.029 nan 8.230 nan 0.000 0.463 511 K N 2.729 122.944 120.400 -0.307 0.000 2.354 511 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 511 K C 0.672 177.140 176.600 -0.221 0.000 1.038 511 K CA 0.079 56.152 56.287 -0.356 0.000 1.052 511 K CB 0.333 32.412 32.500 -0.703 0.000 0.861 511 K HN 0.527 nan 8.250 nan 0.000 0.535 512 R N 1.357 121.755 120.500 -0.170 0.000 2.774 512 R HA 0.125 4.465 4.340 -0.000 0.000 0.269 512 R C 0.262 176.518 176.300 -0.072 0.000 1.068 512 R CA -0.096 55.975 56.100 -0.047 0.000 1.180 512 R CB 0.460 30.731 30.300 -0.049 0.000 1.077 512 R HN -0.002 nan 8.270 nan 0.000 0.513 513 R N 1.302 121.760 120.500 -0.071 0.000 2.570 513 R HA 0.056 4.395 4.340 -0.000 0.000 0.277 513 R C -0.125 176.055 176.300 -0.199 0.000 1.039 513 R CA 0.135 56.161 56.100 -0.123 0.000 1.065 513 R CB 0.290 30.483 30.300 -0.179 0.000 0.964 513 R HN 0.311 nan 8.270 nan 0.000 0.428 514 I N 2.172 122.646 120.570 -0.160 0.000 2.339 514 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 514 I C 0.833 176.842 176.117 -0.180 0.000 0.994 514 I CA -0.206 60.994 61.300 -0.167 0.000 1.191 514 I CB 1.186 39.132 38.000 -0.091 0.000 1.343 514 I HN 0.668 nan 8.210 nan 0.000 0.458 515 G N 4.383 113.010 108.800 -0.288 0.000 2.371 515 G HA2 0.530 4.490 3.960 -0.000 0.000 0.326 515 G HA3 0.530 4.490 3.960 -0.000 0.000 0.326 515 G C -0.470 174.525 174.900 0.158 0.000 1.127 515 G CA -0.222 44.769 45.100 -0.181 0.000 0.885 515 G HN 0.497 nan 8.290 nan 0.000 0.477 516 T N 1.535 116.274 114.554 0.308 0.000 2.767 516 T HA 0.334 4.684 4.350 -0.000 0.000 0.288 516 T C 0.408 175.351 174.700 0.405 0.000 0.963 516 T CA -0.230 62.043 62.100 0.288 0.000 1.019 516 T CB 1.521 70.495 68.868 0.178 0.000 0.923 516 T HN 0.269 nan 8.240 nan 0.000 0.468 517 V N 5.812 125.915 119.914 0.314 0.000 2.530 517 V HA 0.475 4.594 4.120 -0.000 0.000 0.282 517 V C 0.287 176.460 176.094 0.131 0.000 1.048 517 V CA -0.015 62.439 62.300 0.256 0.000 0.997 517 V CB 0.350 32.308 31.823 0.225 0.000 0.987 517 V HN 0.933 nan 8.190 nan 0.000 0.477 518 K N 2.658 123.106 120.400 0.080 0.000 2.607 518 K HA 0.439 4.759 4.320 -0.000 0.000 0.287 518 K C -0.404 176.180 176.600 -0.027 0.000 0.996 518 K CA -0.926 55.353 56.287 -0.012 0.000 0.876 518 K CB 1.081 33.521 32.500 -0.100 0.000 1.496 518 K HN 0.437 nan 8.250 nan 0.000 0.415 519 N N -0.042 118.637 118.700 -0.036 0.000 2.756 519 N HA -0.197 4.542 4.740 -0.000 0.000 0.248 519 N C -0.062 175.431 175.510 -0.029 0.000 1.062 519 N CA 0.672 53.701 53.050 -0.034 0.000 0.696 519 N CB -1.841 36.621 38.487 -0.042 0.000 0.946 519 N HN 0.755 nan 8.380 nan 0.000 0.548 520 C N -2.422 116.862 119.300 -0.026 0.000 3.115 520 C HA 0.418 4.877 4.460 -0.000 0.000 0.277 520 C C 1.512 176.482 174.990 -0.033 0.000 1.460 520 C CA -0.816 58.181 59.018 -0.035 0.000 1.789 520 C CB -0.022 27.693 27.740 -0.041 0.000 2.674 520 C HN 0.328 nan 8.230 nan 0.000 0.582 521 R N 2.253 122.736 120.500 -0.027 0.000 2.335 521 R HA 0.123 4.463 4.340 -0.000 0.000 0.210 521 R C 0.586 176.871 176.300 -0.025 0.000 0.892 521 R CA 0.500 56.585 56.100 -0.025 0.000 1.048 521 R CB -0.401 29.887 30.300 -0.021 0.000 1.067 521 R HN 0.776 nan 8.270 nan 0.000 0.524 522 N N 1.058 119.742 118.700 -0.027 0.000 2.321 522 N HA 0.098 4.838 4.740 -0.000 0.000 0.242 522 N C 0.483 175.975 175.510 -0.030 0.000 1.141 522 N CA -0.269 52.766 53.050 -0.026 0.000 0.864 522 N CB -0.031 38.441 38.487 -0.024 0.000 1.100 522 N HN 0.248 nan 8.380 nan 0.000 0.510 523 I N -4.666 115.883 120.570 -0.035 0.000 3.170 523 I HA 0.989 5.159 4.170 -0.000 0.000 0.312 523 I C 0.046 176.138 176.117 -0.041 0.000 1.085 523 I CA -1.314 59.960 61.300 -0.043 0.000 0.999 523 I CB 2.077 40.044 38.000 -0.055 0.000 1.233 523 I HN -0.039 nan 8.210 nan 0.000 0.467 524 G N 1.427 110.199 108.800 -0.046 0.000 2.706 524 G HA2 0.271 4.230 3.960 -0.000 0.000 0.307 524 G HA3 0.271 4.230 3.960 -0.000 0.000 0.307 524 G C -0.328 174.542 174.900 -0.050 0.000 1.307 524 G CA -0.436 44.640 45.100 -0.040 0.000 0.790 524 G HN 0.680 nan 8.290 nan 0.000 0.503 525 K N 0.534 120.910 120.400 -0.040 0.000 2.103 525 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 525 K C 2.366 178.934 176.600 -0.053 0.000 1.048 525 K CA 2.448 58.708 56.287 -0.045 0.000 0.930 525 K CB -0.265 32.218 32.500 -0.028 0.000 0.716 525 K HN 0.540 nan 8.250 nan 0.000 0.444 526 K N -0.440 119.931 120.400 -0.048 0.000 2.281 526 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 526 K C 0.599 177.156 176.600 -0.071 0.000 1.046 526 K CA 1.737 57.992 56.287 -0.054 0.000 0.938 526 K CB -0.045 32.428 32.500 -0.044 0.000 0.737 526 K HN 0.106 nan 8.250 nan 0.000 0.458 527 D N 0.482 120.836 120.400 -0.076 0.000 2.340 527 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 527 D C 0.149 176.377 176.300 -0.121 0.000 1.039 527 D CA 0.360 54.303 54.000 -0.094 0.000 0.866 527 D CB 0.205 40.956 40.800 -0.083 0.000 0.913 527 D HN 0.227 nan 8.370 nan 0.000 0.523 528 M N 1.840 121.373 119.600 -0.111 0.000 2.156 528 M HA 0.077 4.557 4.480 -0.000 0.000 0.345 528 M C 0.266 176.492 176.300 -0.123 0.000 1.398 528 M CA -0.145 55.084 55.300 -0.120 0.000 1.148 528 M CB 0.654 33.196 32.600 -0.096 0.000 1.663 528 M HN -0.389 nan 8.290 nan 0.000 0.464 529 K N 3.277 123.577 120.400 -0.168 0.000 2.453 529 K HA -0.108 4.212 4.320 -0.000 0.000 0.280 529 K C 0.071 176.687 176.600 0.028 0.000 1.045 529 K CA 0.382 56.559 56.287 -0.183 0.000 1.059 529 K CB -0.113 32.208 32.500 -0.299 0.000 0.901 529 K HN 0.781 nan 8.250 nan 0.000 0.475 530 W N 0.739 121.993 121.300 -0.077 0.000 3.207 530 W HA -0.270 4.389 4.660 -0.000 0.000 0.291 530 W C 0.105 176.574 176.519 -0.084 0.000 1.105 530 W CA 0.333 57.619 57.345 -0.098 0.000 0.612 530 W CB -1.701 27.651 29.460 -0.180 0.000 2.140 530 W HN 0.615 nan 8.180 nan 0.000 1.420 531 N N 0.549 119.296 118.700 0.079 0.000 2.666 531 N HA 0.041 4.781 4.740 -0.000 0.000 0.253 531 N C -0.168 175.332 175.510 -0.017 0.000 1.621 531 N CA 0.476 53.538 53.050 0.021 0.000 0.785 531 N CB 0.424 38.899 38.487 -0.020 0.000 1.332 531 N HN 0.255 nan 8.380 nan 0.000 0.514 532 D N -0.972 119.424 120.400 -0.006 0.000 2.571 532 D HA 0.064 4.703 4.640 -0.000 0.000 0.239 532 D C 0.168 176.457 176.300 -0.018 0.000 1.267 532 D CA -0.147 53.836 54.000 -0.029 0.000 0.823 532 D CB 0.184 40.956 40.800 -0.046 0.000 1.056 532 D HN -0.137 nan 8.370 nan 0.000 0.494 533 V N 1.721 121.630 119.914 -0.008 0.000 2.488 533 V HA 0.372 4.492 4.120 -0.000 0.000 0.277 533 V C 0.788 176.867 176.094 -0.024 0.000 1.046 533 V CA -0.106 62.189 62.300 -0.008 0.000 0.986 533 V CB 0.925 32.752 31.823 0.006 0.000 0.989 533 V HN 0.421 nan 8.190 nan 0.000 0.475 534 T N 1.279 115.815 114.554 -0.030 0.000 2.855 534 T HA 0.766 5.116 4.350 -0.000 0.000 0.281 534 T C -0.322 174.344 174.700 -0.056 0.000 1.007 534 T CA -0.613 61.458 62.100 -0.048 0.000 1.009 534 T CB 1.937 70.775 68.868 -0.051 0.000 0.983 534 T HN 0.771 nan 8.240 nan 0.000 0.455 535 T N 0.477 114.982 114.554 -0.081 0.000 2.733 535 T HA 0.336 4.686 4.350 -0.000 0.000 0.312 535 T C -2.209 172.426 174.700 -0.108 0.000 1.590 535 T CA -0.659 61.396 62.100 -0.076 0.000 1.005 535 T CB 1.863 70.703 68.868 -0.047 0.000 1.528 535 T HN 0.794 nan 8.240 nan 0.000 0.496 536 D N 2.167 122.513 120.400 -0.090 0.000 2.380 536 D HA 0.395 5.035 4.640 -0.000 0.000 0.230 536 D C -0.148 176.117 176.300 -0.059 0.000 1.154 536 D CA -0.297 53.645 54.000 -0.096 0.000 0.859 536 D CB -0.056 40.700 40.800 -0.073 0.000 1.045 536 D HN 0.480 nan 8.370 nan 0.000 0.495 537 I N 3.070 123.609 120.570 -0.051 0.000 2.325 537 I HA 0.190 4.360 4.170 -0.000 0.000 0.291 537 I C 0.195 176.303 176.117 -0.014 0.000 1.019 537 I CA -0.574 60.711 61.300 -0.025 0.000 1.302 537 I CB 1.136 39.128 38.000 -0.014 0.000 1.401 537 I HN 0.332 nan 8.210 nan 0.000 0.485 538 D N 7.512 127.904 120.400 -0.013 0.000 2.303 538 D HA 0.502 5.141 4.640 -0.000 0.000 0.236 538 D C -0.775 175.522 176.300 -0.005 0.000 1.068 538 D CA -0.319 53.675 54.000 -0.010 0.000 0.830 538 D CB 1.097 41.891 40.800 -0.011 0.000 1.109 538 D HN 0.314 nan 8.370 nan 0.000 0.496 539 I N 3.687 124.254 120.570 -0.004 0.000 2.382 539 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 539 I C 0.149 176.278 176.117 0.020 0.000 1.007 539 I CA -0.958 60.346 61.300 0.005 0.000 1.142 539 I CB 1.278 39.271 38.000 -0.013 0.000 1.289 539 I HN 0.418 nan 8.210 nan 0.000 0.453 540 N N 9.279 128.003 118.700 0.041 0.000 2.447 540 N HA 0.075 4.815 4.740 -0.000 0.000 0.263 540 N C -1.596 173.969 175.510 0.091 0.000 1.226 540 N CA -1.169 51.905 53.050 0.040 0.000 0.906 540 N CB 1.461 39.963 38.487 0.026 0.000 1.060 540 N HN 0.336 nan 8.380 nan 0.000 0.468 541 P HA -0.043 nan 4.420 nan 0.000 0.223 541 P C 0.331 177.697 177.300 0.110 0.000 1.151 541 P CA 1.211 64.365 63.100 0.089 0.000 0.787 541 P CB 0.553 32.247 31.700 -0.010 0.000 0.788 542 E N -0.389 119.816 120.200 0.008 0.000 2.075 542 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 542 E C 1.864 178.318 176.600 -0.244 0.000 0.969 542 E CA 1.661 58.009 56.400 -0.087 0.000 0.815 542 E CB -0.240 29.420 29.700 -0.068 0.000 0.776 542 E HN 0.315 nan 8.360 nan 0.000 0.457 543 T N -2.807 111.648 114.554 -0.165 0.000 3.014 543 T HA -0.012 4.337 4.350 -0.000 0.000 0.250 543 T C 0.212 174.816 174.700 -0.160 0.000 1.060 543 T CA -0.107 61.864 62.100 -0.215 0.000 1.040 543 T CB 0.117 68.932 68.868 -0.088 0.000 0.971 543 T HN 0.132 nan 8.240 nan 0.000 0.497 544 Y N 0.546 120.823 120.300 -0.038 0.000 4.907 544 Y HA -0.172 4.377 4.550 -0.000 0.000 0.246 544 Y C 0.228 176.100 175.900 -0.047 0.000 0.968 544 Y CA -0.345 57.728 58.100 -0.046 0.000 1.961 544 Y CB -2.785 35.642 38.460 -0.055 0.000 1.487 544 Y HN 0.495 nan 8.280 nan 0.000 0.575 545 E N 0.589 120.844 120.200 0.092 0.000 2.384 545 E HA 0.343 4.692 4.350 -0.000 0.000 0.266 545 E C 0.011 176.629 176.600 0.029 0.000 1.012 545 E CA -0.053 56.372 56.400 0.041 0.000 0.901 545 E CB 1.237 30.947 29.700 0.017 0.000 0.967 545 E HN 0.010 nan 8.360 nan 0.000 0.435 546 V N 4.207 124.128 119.914 0.011 0.000 2.427 546 V HA 0.257 4.377 4.120 -0.000 0.000 0.286 546 V C 0.004 176.098 176.094 -0.000 0.000 1.034 546 V CA -0.462 61.838 62.300 0.001 0.000 0.893 546 V CB 1.277 33.092 31.823 -0.012 0.000 0.982 546 V HN 0.557 nan 8.190 nan 0.000 0.452 547 K N 3.332 123.730 120.400 -0.002 0.000 2.324 547 K HA 0.807 5.127 4.320 -0.000 0.000 0.253 547 K C -1.580 175.015 176.600 -0.008 0.000 0.932 547 K CA -0.708 55.577 56.287 -0.003 0.000 0.799 547 K CB 2.665 35.163 32.500 -0.003 0.000 1.154 547 K HN 0.418 nan 8.250 nan 0.000 0.425 548 V N 2.835 122.745 119.914 -0.006 0.000 2.577 548 V HA 0.132 4.252 4.120 -0.000 0.000 0.303 548 V C -0.676 175.414 176.094 -0.007 0.000 1.042 548 V CA -0.681 61.613 62.300 -0.010 0.000 0.872 548 V CB 1.635 33.453 31.823 -0.008 0.000 0.998 548 V HN 0.889 nan 8.190 nan 0.000 0.423 549 D N 4.061 124.454 120.400 -0.011 0.000 2.751 549 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 549 D C 1.343 177.640 176.300 -0.005 0.000 1.149 549 D CA 1.826 55.821 54.000 -0.009 0.000 0.682 549 D CB -1.089 39.708 40.800 -0.005 0.000 1.068 549 D HN 1.476 nan 8.370 nan 0.000 0.429 550 G N -0.485 108.311 108.800 -0.006 0.000 2.189 550 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.267 550 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.267 550 G C 0.093 174.993 174.900 -0.001 0.000 0.975 550 G CA 0.715 45.812 45.100 -0.004 0.000 0.644 550 G HN 0.514 nan 8.290 nan 0.000 0.537 551 E N -0.263 119.937 120.200 0.001 0.000 2.166 551 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 551 E C 0.228 176.831 176.600 0.006 0.000 0.941 551 E CA -0.904 55.498 56.400 0.005 0.000 0.784 551 E CB 2.274 31.979 29.700 0.008 0.000 1.115 551 E HN 0.073 nan 8.360 nan 0.000 0.399 552 V N 4.524 124.443 119.914 0.008 0.000 2.585 552 V HA 0.018 4.138 4.120 -0.000 0.000 0.296 552 V C 0.206 176.308 176.094 0.014 0.000 1.035 552 V CA 0.151 62.457 62.300 0.009 0.000 1.084 552 V CB 0.194 32.023 31.823 0.010 0.000 0.953 552 V HN 0.506 nan 8.190 nan 0.000 0.483 553 L N 5.329 126.559 121.223 0.011 0.000 2.262 553 L HA 0.555 4.894 4.340 -0.000 0.000 0.288 553 L C 0.095 176.975 176.870 0.018 0.000 1.035 553 L CA 0.213 55.063 54.840 0.016 0.000 0.820 553 L CB 1.245 43.310 42.059 0.011 0.000 1.204 553 L HN 0.736 nan 8.230 nan 0.000 0.424 554 T N 2.685 117.259 114.554 0.033 0.000 2.956 554 T HA 0.677 5.027 4.350 -0.000 0.000 0.312 554 T C -0.861 173.884 174.700 0.075 0.000 1.151 554 T CA -0.455 61.672 62.100 0.046 0.000 1.024 554 T CB 1.243 70.138 68.868 0.045 0.000 1.140 554 T HN 0.810 nan 8.240 nan 0.000 0.473 555 C N 2.530 121.901 119.300 0.119 0.000 3.318 555 C HA 0.883 5.343 4.460 -0.000 0.000 0.322 555 C C -0.705 174.420 174.990 0.225 0.000 1.398 555 C CA -0.981 58.125 59.018 0.146 0.000 1.339 555 C CB 1.412 29.238 27.740 0.143 0.000 1.668 555 C HN 0.792 nan 8.230 nan 0.000 0.462 556 E N 1.984 122.272 120.200 0.147 0.000 2.283 556 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 556 E C -2.473 174.095 176.600 -0.054 0.000 1.045 556 E CA -1.636 54.814 56.400 0.082 0.000 0.884 556 E CB 1.052 30.760 29.700 0.013 0.000 1.106 556 E HN 0.614 nan 8.360 nan 0.000 0.408 557 P HA 0.085 nan 4.420 nan 0.000 0.278 557 P C -0.262 176.831 177.300 -0.345 0.000 1.238 557 P CA -0.378 62.224 63.100 -0.830 0.000 0.794 557 P CB 0.880 31.752 31.700 -1.380 0.000 0.955 558 V N 0.305 120.077 119.914 -0.236 0.000 2.612 558 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 558 V C 1.253 177.284 176.094 -0.105 0.000 1.046 558 V CA -0.542 61.687 62.300 -0.118 0.000 0.946 558 V CB 1.471 33.261 31.823 -0.054 0.000 1.003 558 V HN 0.385 nan 8.190 nan 0.000 0.459 559 K N 0.882 121.242 120.400 -0.067 0.000 2.243 559 K HA 0.196 4.515 4.320 -0.000 0.000 0.201 559 K C 0.570 177.156 176.600 -0.023 0.000 1.051 559 K CA 0.885 57.143 56.287 -0.047 0.000 0.970 559 K CB 0.371 32.851 32.500 -0.034 0.000 0.755 559 K HN 0.882 nan 8.250 nan 0.000 0.465 560 E N 0.442 120.635 120.200 -0.013 0.000 2.340 560 E HA 0.389 4.739 4.350 -0.000 0.000 0.273 560 E C -1.557 175.053 176.600 0.017 0.000 0.891 560 E CA -0.535 55.869 56.400 0.008 0.000 0.757 560 E CB 1.502 31.209 29.700 0.011 0.000 1.231 560 E HN -0.073 nan 8.360 nan 0.000 0.439 561 L N 3.734 124.978 121.223 0.036 0.000 2.370 561 L HA 0.598 4.938 4.340 -0.000 0.000 0.266 561 L C -2.107 174.809 176.870 0.076 0.000 1.002 561 L CA -2.039 52.831 54.840 0.050 0.000 0.818 561 L CB 1.970 44.061 42.059 0.054 0.000 1.325 561 L HN 0.543 nan 8.230 nan 0.000 0.418 562 P HA 0.188 nan 4.420 nan 0.000 0.277 562 P C -0.168 177.223 177.300 0.152 0.000 1.276 562 P CA -0.344 62.820 63.100 0.107 0.000 0.788 562 P CB 0.621 32.363 31.700 0.070 0.000 1.114 563 M N -2.598 117.134 119.600 0.220 0.000 2.360 563 M HA -0.243 4.237 4.480 -0.000 0.000 0.202 563 M C 0.255 176.760 176.300 0.342 0.000 0.390 563 M CA 0.902 56.285 55.300 0.139 0.000 0.470 563 M CB -2.202 30.400 32.600 0.004 0.000 1.637 563 M HN 0.606 nan 8.290 nan 0.000 0.885 564 A N -0.411 122.676 122.820 0.446 0.000 2.364 564 A HA 0.325 4.645 4.320 -0.000 0.000 0.193 564 A C 0.936 178.791 177.584 0.452 0.000 1.530 564 A CA 0.136 52.442 52.037 0.448 0.000 1.613 564 A CB 0.147 19.285 19.000 0.230 0.000 1.767 564 A HN 0.448 nan 8.150 nan 0.000 0.657 565 Q N -0.121 119.826 119.800 0.245 0.000 2.437 565 Q HA -0.006 4.334 4.340 -0.000 0.000 0.210 565 Q C 1.868 177.908 176.000 0.067 0.000 0.972 565 Q CA 0.784 56.686 55.803 0.164 0.000 0.903 565 Q CB 0.013 28.803 28.738 0.087 0.000 0.967 565 Q HN 0.522 nan 8.270 nan 0.000 0.486 566 R N -0.498 120.000 120.500 -0.004 0.000 2.189 566 R HA -0.124 4.216 4.340 -0.000 0.000 0.218 566 R C 0.828 176.880 176.300 -0.413 0.000 1.074 566 R CA 1.169 57.108 56.100 -0.268 0.000 0.991 566 R CB 0.255 30.269 30.300 -0.477 0.000 0.883 566 R HN 0.286 nan 8.270 nan 0.000 0.457 567 Y N -2.146 118.100 120.300 -0.090 0.000 2.558 567 Y HA 0.208 4.758 4.550 -0.000 0.000 0.273 567 Y C 0.076 175.768 175.900 -0.345 0.000 1.100 567 Y CA -0.231 57.714 58.100 -0.259 0.000 1.276 567 Y CB 0.440 38.565 38.460 -0.557 0.000 1.196 567 Y HN -0.177 nan 8.280 nan 0.000 0.527 568 F N -0.069 119.998 119.950 0.194 0.000 2.399 568 F HA 0.263 4.790 4.527 -0.000 0.000 0.334 568 F C 0.807 176.614 175.800 0.012 0.000 1.097 568 F CA -0.870 57.203 58.000 0.121 0.000 1.076 568 F CB 1.331 40.407 39.000 0.127 0.000 1.162 568 F HN -0.195 nan 8.300 nan 0.000 0.495 569 L N 2.079 123.394 121.223 0.153 0.000 2.240 569 L HA 0.177 4.517 4.340 -0.000 0.000 0.211 569 L C -0.467 176.092 176.870 -0.518 0.000 1.106 569 L CA 1.606 56.346 54.840 -0.166 0.000 0.793 569 L CB -0.422 41.555 42.059 -0.136 0.000 0.927 569 L HN 0.410 nan 8.230 nan 0.000 0.446 570 F N 0.000 120.043 119.950 0.156 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.055 58.000 0.092 0.000 1.383 570 F CB 0.000 39.033 39.000 0.055 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574