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 1cj0_1_B DATA FIRST_RESID -8 DATA SEQUENCE WSSHEQXXXM LAQPLKXXDS DAEVYDIIKK ESNRQRVGLE LIASENFASR DATA SEQUENCE AVLEALGSCL NNKYSEGYPG QRYYGGTEHI DELETLCQKR ALQAYGLDWG DATA SEQUENCE NVQPYSGSPA NFAVYTALVE PGXRIMGLDL PDGGHLTHGF MTDISATIFE DATA SEQUENCE SMAYKVNPTG YIDYDRLEEN ARLFHPKLII AGTSCYSRNL DYGRLRKIAD DATA SEQUENCE ENGAYLMADM AHISGLVVAG VVPSPFEHCH VVTTTTHKTL RGCRAGMIFY DATA SEQUENCE RRGKEILYNS LNSAVFPGLQ GGPHNHAIAG VAVALKQAMT PEFKEYQRQV DATA SEQUENCE VANCRALSAA LVELGYKIVT GGSDNHLILV DLRSKGTDGG RAEKVLEACS DATA SEQUENCE IACNKNTCPG DXKSALRPSG LRLGTPALTS RGLKDFQXKX VAHFIHRGIE DATA SEQUENCE TVQDTATLEK LAGKHRAVRA RQEVFAAXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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0.000 nan 4.660 nan 0.000 0.303 -8 W C 0.000 176.516 176.519 -0.006 0.000 1.175 -8 W CA 0.000 57.342 57.345 -0.005 0.000 1.226 -8 W CB 0.000 29.457 29.460 -0.005 0.000 1.126 -7 S N 0.767 116.464 115.700 -0.006 0.000 2.535 -7 S HA 0.119 4.589 4.470 0.000 0.000 0.214 -7 S C 1.534 176.130 174.600 -0.007 0.000 0.980 -7 S CA 1.269 59.466 58.200 -0.006 0.000 0.907 -7 S CB 0.061 63.258 63.200 -0.005 0.000 0.790 -7 S HN 0.799 nan 8.310 nan 0.000 0.510 -6 S N 1.480 117.176 115.700 -0.007 0.000 2.981 -6 S HA 0.028 4.498 4.470 0.000 0.000 0.235 -6 S C 1.022 175.617 174.600 -0.008 0.000 0.983 -6 S CA 0.804 59.000 58.200 -0.007 0.000 1.051 -6 S CB -0.756 62.440 63.200 -0.007 0.000 0.814 -6 S HN 0.848 nan 8.310 nan 0.000 0.518 -5 H N 0.073 119.137 119.070 -0.009 0.000 2.505 -5 H HA 0.373 4.929 4.556 0.000 0.000 0.289 -5 H C 1.468 176.790 175.328 -0.011 0.000 1.052 -5 H CA 0.315 56.357 56.048 -0.010 0.000 1.156 -5 H CB -0.206 29.550 29.762 -0.009 0.000 1.507 -5 H HN 0.485 nan 8.280 nan 0.000 0.548 -4 E N 0.915 121.109 120.200 -0.010 0.000 2.515 -4 E HA -0.091 4.259 4.350 0.000 0.000 0.201 -4 E C 0.066 176.658 176.600 -0.013 0.000 1.071 -4 E CA 0.063 56.456 56.400 -0.011 0.000 0.880 -4 E CB -0.093 29.602 29.700 -0.010 0.000 0.828 -4 E HN 0.888 nan 8.360 nan 0.000 0.540 2 L N 1.053 122.263 121.223 -0.021 0.000 2.446 2 L HA 0.411 4.751 4.340 0.000 0.000 0.219 2 L C 2.513 179.368 176.870 -0.026 0.000 1.116 2 L CA 1.253 56.079 54.840 -0.023 0.000 0.844 2 L CB -0.029 42.017 42.059 -0.022 0.000 0.970 2 L HN 0.591 nan 8.230 nan 0.000 0.457 3 A N -1.479 121.327 122.820 -0.025 0.000 2.115 3 A HA 0.019 4.339 4.320 0.000 0.000 0.211 3 A C 1.207 178.773 177.584 -0.030 0.000 1.169 3 A CA -0.128 51.893 52.037 -0.026 0.000 0.787 3 A CB -0.097 18.889 19.000 -0.024 0.000 0.858 3 A HN 0.306 nan 8.150 nan 0.000 0.474 4 Q N 1.088 120.869 119.800 -0.031 0.000 2.286 4 Q HA 0.169 4.509 4.340 0.000 0.000 0.290 4 Q C -2.334 173.640 176.000 -0.043 0.000 1.049 4 Q CA -1.390 54.391 55.803 -0.037 0.000 0.923 4 Q CB 0.470 29.187 28.738 -0.034 0.000 1.183 4 Q HN 0.238 nan 8.270 nan 0.000 0.383 5 P HA -0.020 nan 4.420 nan 0.000 0.276 5 P C 0.245 177.496 177.300 -0.082 0.000 1.252 5 P CA -0.549 62.511 63.100 -0.065 0.000 0.802 5 P CB 0.603 32.255 31.700 -0.081 0.000 1.035 6 L N 1.214 122.392 121.223 -0.075 0.000 1.970 6 L HA -0.069 4.271 4.340 0.000 0.000 0.212 6 L C 1.409 178.175 176.870 -0.173 0.000 1.071 6 L CA 2.317 57.119 54.840 -0.062 0.000 0.751 6 L CB -1.862 40.216 42.059 0.031 0.000 0.889 6 L HN 0.378 nan 8.230 nan 0.000 0.432 11 S N -0.201 115.460 115.700 -0.065 0.000 2.395 11 S HA -0.043 4.427 4.470 0.000 0.000 0.225 11 S C 0.310 174.899 174.600 -0.018 0.000 1.027 11 S CA 1.017 59.196 58.200 -0.036 0.000 0.965 11 S CB 0.271 63.452 63.200 -0.031 0.000 0.812 11 S HN 0.068 nan 8.310 nan 0.000 0.482 12 D N 0.135 120.530 120.400 -0.009 0.000 2.375 12 D HA 0.573 5.213 4.640 0.000 0.000 0.259 12 D C 0.431 176.761 176.300 0.049 0.000 1.235 12 D CA 0.051 54.063 54.000 0.020 0.000 0.924 12 D CB 1.402 42.222 40.800 0.034 0.000 1.143 12 D HN 0.227 nan 8.370 nan 0.000 0.529 13 A N 3.353 126.197 122.820 0.040 0.000 1.897 13 A HA -0.119 4.201 4.320 0.000 0.000 0.215 13 A C 1.797 179.442 177.584 0.101 0.000 1.181 13 A CA 1.108 53.190 52.037 0.075 0.000 0.620 13 A CB -0.152 18.875 19.000 0.044 0.000 0.821 13 A HN 0.574 nan 8.150 nan 0.000 0.443 14 E N -0.179 120.056 120.200 0.059 0.000 2.049 14 E HA -0.174 4.176 4.350 0.000 0.000 0.198 14 E C 1.914 178.543 176.600 0.048 0.000 1.007 14 E CA 1.650 58.076 56.400 0.044 0.000 0.809 14 E CB -0.371 29.344 29.700 0.024 0.000 0.749 14 E HN 0.410 nan 8.360 nan 0.000 0.450 15 V N 0.635 120.586 119.914 0.061 0.000 2.667 15 V HA -0.222 3.898 4.120 0.000 0.000 0.252 15 V C 1.964 178.110 176.094 0.086 0.000 1.065 15 V CA 1.372 63.704 62.300 0.054 0.000 1.083 15 V CB -0.595 31.260 31.823 0.053 0.000 0.692 15 V HN 0.265 nan 8.190 nan 0.000 0.468 16 Y N 1.747 122.044 120.300 -0.006 0.000 2.114 16 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 16 Y C 2.423 178.310 175.900 -0.021 0.000 1.143 16 Y CA 1.825 59.925 58.100 0.001 0.000 1.135 16 Y CB -0.423 38.044 38.460 0.011 0.000 0.980 16 Y HN 0.335 nan 8.280 nan 0.000 0.499 17 D N 0.099 120.481 120.400 -0.030 0.000 2.117 17 D HA -0.209 4.431 4.640 0.000 0.000 0.197 17 D C 2.391 178.588 176.300 -0.172 0.000 0.987 17 D CA 1.810 55.730 54.000 -0.133 0.000 0.829 17 D CB -0.325 40.457 40.800 -0.030 0.000 0.961 17 D HN 0.437 nan 8.370 nan 0.000 0.460 18 I N 0.958 121.460 120.570 -0.113 0.000 2.208 18 I HA -0.260 3.910 4.170 0.000 0.000 0.245 18 I C 2.460 178.462 176.117 -0.191 0.000 1.097 18 I CA 0.868 62.098 61.300 -0.116 0.000 1.363 18 I CB -0.151 37.808 38.000 -0.068 0.000 1.051 18 I HN -0.032 nan 8.210 nan 0.000 0.413 19 I N 0.980 121.405 120.570 -0.241 0.000 2.202 19 I HA -0.273 3.897 4.170 0.000 0.000 0.242 19 I C 3.087 178.863 176.117 -0.568 0.000 1.091 19 I CA 1.618 62.689 61.300 -0.382 0.000 1.368 19 I CB -0.661 37.158 38.000 -0.302 0.000 1.058 19 I HN 0.157 nan 8.210 nan 0.000 0.410 20 K N 1.347 121.419 120.400 -0.545 0.000 2.147 20 K HA -0.187 4.133 4.320 0.000 0.000 0.205 20 K C 1.977 178.381 176.600 -0.327 0.000 1.049 20 K CA 1.589 57.589 56.287 -0.478 0.000 0.936 20 K CB -0.767 31.454 32.500 -0.465 0.000 0.722 20 K HN 0.398 nan 8.250 nan 0.000 0.446 21 K N -0.173 120.072 120.400 -0.258 0.000 2.001 21 K HA -0.138 4.182 4.320 0.000 0.000 0.208 21 K C 2.433 178.926 176.600 -0.178 0.000 1.048 21 K CA 1.378 57.559 56.287 -0.176 0.000 0.932 21 K CB -0.055 32.368 32.500 -0.127 0.000 0.715 21 K HN 0.490 nan 8.250 nan 0.000 0.437 22 E N 1.502 121.577 120.200 -0.209 0.000 2.058 22 E HA -0.174 4.176 4.350 0.000 0.000 0.194 22 E C 1.802 178.282 176.600 -0.200 0.000 0.997 22 E CA 2.190 58.483 56.400 -0.177 0.000 0.801 22 E CB -0.218 29.376 29.700 -0.177 0.000 0.746 22 E HN 0.241 nan 8.360 nan 0.000 0.450 23 S N -0.386 115.096 115.700 -0.363 0.000 2.469 23 S HA -0.189 4.281 4.470 0.000 0.000 0.238 23 S C 1.770 176.266 174.600 -0.173 0.000 0.998 23 S CA 1.253 59.237 58.200 -0.359 0.000 0.957 23 S CB -0.570 62.115 63.200 -0.858 0.000 0.764 23 S HN 0.471 nan 8.310 nan 0.000 0.514 24 N N 1.850 120.452 118.700 -0.162 0.000 2.387 24 N HA 0.027 4.767 4.740 0.000 0.000 0.176 24 N C 1.850 177.318 175.510 -0.070 0.000 1.022 24 N CA 0.497 53.489 53.050 -0.097 0.000 0.883 24 N CB -0.395 38.034 38.487 -0.097 0.000 1.019 24 N HN 0.380 nan 8.380 nan 0.000 0.435 25 R N 0.251 120.709 120.500 -0.071 0.000 2.152 25 R HA -0.064 4.276 4.340 0.000 0.000 0.232 25 R C 1.561 177.853 176.300 -0.014 0.000 1.117 25 R CA 1.384 57.460 56.100 -0.040 0.000 0.981 25 R CB -0.042 30.235 30.300 -0.039 0.000 0.870 25 R HN 0.494 nan 8.270 nan 0.000 0.451 26 Q N -0.547 119.244 119.800 -0.014 0.000 2.187 26 Q HA -0.098 4.242 4.340 0.000 0.000 0.199 26 Q C 2.102 178.085 176.000 -0.030 0.000 0.957 26 Q CA 0.932 56.756 55.803 0.034 0.000 0.857 26 Q CB 0.006 28.788 28.738 0.074 0.000 0.929 26 Q HN 0.271 nan 8.270 nan 0.000 0.453 27 R N 0.766 121.227 120.500 -0.066 0.000 2.115 27 R HA -0.100 4.240 4.340 0.000 0.000 0.226 27 R C 2.131 178.404 176.300 -0.046 0.000 1.100 27 R CA 1.357 57.408 56.100 -0.081 0.000 0.980 27 R CB 0.101 30.361 30.300 -0.067 0.000 0.875 27 R HN 0.273 nan 8.270 nan 0.000 0.445 28 V N -2.308 117.588 119.914 -0.030 0.000 3.354 28 V HA 0.350 4.470 4.120 0.000 0.000 0.258 28 V C 0.865 176.950 176.094 -0.015 0.000 1.159 28 V CA 0.550 62.837 62.300 -0.021 0.000 1.125 28 V CB 0.007 31.816 31.823 -0.023 0.000 0.774 28 V HN 0.216 nan 8.190 nan 0.000 0.464 29 G N 0.212 109.011 108.800 -0.001 0.000 2.547 29 G HA2 0.589 4.549 3.960 0.000 0.000 0.291 29 G HA3 0.589 4.549 3.960 0.000 0.000 0.291 29 G C -0.855 174.057 174.900 0.020 0.000 1.211 29 G CA -0.908 44.195 45.100 0.006 0.000 0.950 29 G HN 0.310 nan 8.290 nan 0.000 0.504 30 L N 1.218 122.451 121.223 0.017 0.000 2.294 30 L HA 0.306 4.646 4.340 0.000 0.000 0.283 30 L C -0.224 176.680 176.870 0.056 0.000 1.015 30 L CA -0.610 54.245 54.840 0.025 0.000 0.831 30 L CB 1.533 43.600 42.059 0.014 0.000 1.217 30 L HN 0.376 nan 8.230 nan 0.000 0.420 31 E N 4.508 124.766 120.200 0.096 0.000 2.105 31 E HA 0.209 4.559 4.350 0.000 0.000 0.285 31 E C 0.152 176.806 176.600 0.089 0.000 1.055 31 E CA -0.086 56.371 56.400 0.095 0.000 0.843 31 E CB 1.738 31.506 29.700 0.112 0.000 1.067 31 E HN 0.551 nan 8.360 nan 0.000 0.398 32 L N 3.980 125.251 121.223 0.080 0.000 2.906 32 L HA 0.317 4.657 4.340 0.000 0.000 0.255 32 L C 0.574 177.493 176.870 0.082 0.000 1.166 32 L CA -0.083 54.817 54.840 0.099 0.000 0.977 32 L CB 0.456 42.573 42.059 0.097 0.000 1.313 32 L HN 0.403 nan 8.230 nan 0.000 0.549 33 I N 0.798 121.407 120.570 0.065 0.000 2.517 33 I HA -0.019 4.151 4.170 0.000 0.000 0.285 33 I C 1.610 177.785 176.117 0.096 0.000 1.106 33 I CA 0.004 61.345 61.300 0.068 0.000 1.402 33 I CB 1.499 39.529 38.000 0.050 0.000 1.399 33 I HN 0.165 nan 8.210 nan 0.000 0.535 34 A N 4.492 127.395 122.820 0.138 0.000 2.070 34 A HA -0.153 4.167 4.320 0.000 0.000 0.220 34 A C 2.131 179.867 177.584 0.253 0.000 1.159 34 A CA 1.883 54.060 52.037 0.233 0.000 0.656 34 A CB -0.411 18.731 19.000 0.236 0.000 0.800 34 A HN 0.799 nan 8.150 nan 0.000 0.453 35 S N -0.637 115.171 115.700 0.179 0.000 2.548 35 S HA 0.120 4.590 4.470 0.000 0.000 0.215 35 S C 0.411 175.000 174.600 -0.018 0.000 0.976 35 S CA -0.345 57.848 58.200 -0.011 0.000 0.908 35 S CB 0.051 63.250 63.200 -0.001 0.000 0.781 35 S HN 0.502 nan 8.310 nan 0.000 0.519 36 E N 2.243 122.442 120.200 -0.002 0.000 2.349 36 E HA 0.485 4.835 4.350 0.000 0.000 0.262 36 E C -0.377 176.130 176.600 -0.155 0.000 1.088 36 E CA -0.218 56.134 56.400 -0.081 0.000 0.899 36 E CB 0.609 30.242 29.700 -0.112 0.000 1.044 36 E HN 0.247 nan 8.360 nan 0.000 0.420 37 N N 0.087 118.607 118.700 -0.300 0.000 3.227 37 N HA 0.294 5.034 4.740 0.000 0.000 0.241 37 N C -1.935 173.219 175.510 -0.594 0.000 1.480 37 N CA -0.532 52.299 53.050 -0.365 0.000 0.886 37 N CB 0.720 39.167 38.487 -0.067 0.000 1.406 37 N HN 0.163 nan 8.380 nan 0.000 0.514 38 F N 1.100 121.089 119.950 0.065 0.000 2.427 38 F HA 0.700 5.227 4.527 0.000 0.000 0.348 38 F C 0.840 176.662 175.800 0.037 0.000 1.125 38 F CA -0.780 57.250 58.000 0.050 0.000 0.989 38 F CB 1.440 40.462 39.000 0.036 0.000 1.165 38 F HN 0.468 nan 8.300 nan 0.000 0.442 39 A N 2.017 124.960 122.820 0.204 0.000 2.351 39 A HA 0.543 4.864 4.320 0.000 0.000 0.257 39 A C 0.378 178.029 177.584 0.112 0.000 1.087 39 A CA -0.347 51.770 52.037 0.132 0.000 0.798 39 A CB 0.116 19.180 19.000 0.107 0.000 1.033 39 A HN 0.814 nan 8.150 nan 0.000 0.488 40 S N 0.970 116.711 115.700 0.069 0.000 2.593 40 S HA 0.463 4.933 4.470 0.000 0.000 0.269 40 S C 1.600 176.209 174.600 0.015 0.000 1.334 40 S CA 0.277 58.499 58.200 0.036 0.000 1.015 40 S CB 1.019 64.233 63.200 0.024 0.000 0.912 40 S HN 1.424 nan 8.310 nan 0.000 0.541 41 R N 1.431 121.924 120.500 -0.010 0.000 2.103 41 R HA -0.015 4.325 4.340 0.000 0.000 0.242 41 R C 2.703 178.987 176.300 -0.027 0.000 1.142 41 R CA 2.451 58.528 56.100 -0.038 0.000 0.960 41 R CB -2.067 28.200 30.300 -0.055 0.000 0.858 41 R HN 1.137 nan 8.270 nan 0.000 0.439 42 A N 0.247 123.058 122.820 -0.015 0.000 1.851 42 A HA -0.057 4.263 4.320 0.000 0.000 0.216 42 A C 2.597 180.179 177.584 -0.004 0.000 1.195 42 A CA 1.909 53.939 52.037 -0.012 0.000 0.622 42 A CB -0.750 18.245 19.000 -0.009 0.000 0.831 42 A HN 0.394 nan 8.150 nan 0.000 0.444 43 V N -0.057 119.861 119.914 0.007 0.000 2.407 43 V HA -0.220 3.900 4.120 0.000 0.000 0.248 43 V C 2.471 178.578 176.094 0.021 0.000 1.055 43 V CA 1.817 64.126 62.300 0.016 0.000 1.049 43 V CB -0.590 31.250 31.823 0.029 0.000 0.662 43 V HN 0.550 nan 8.190 nan 0.000 0.455 44 L N -0.577 120.656 121.223 0.016 0.000 2.291 44 L HA -0.101 4.239 4.340 0.000 0.000 0.214 44 L C 2.430 179.299 176.870 -0.002 0.000 1.120 44 L CA 1.135 55.983 54.840 0.014 0.000 0.799 44 L CB -0.314 41.747 42.059 0.003 0.000 0.925 44 L HN 0.441 nan 8.230 nan 0.000 0.446 45 E N -0.064 120.129 120.200 -0.012 0.000 2.170 45 E HA -0.097 4.253 4.350 0.000 0.000 0.191 45 E C 2.279 178.877 176.600 -0.002 0.000 0.981 45 E CA 0.829 57.218 56.400 -0.019 0.000 0.830 45 E CB -0.011 29.672 29.700 -0.028 0.000 0.775 45 E HN 0.446 nan 8.360 nan 0.000 0.470 46 A N 1.363 124.189 122.820 0.010 0.000 2.019 46 A HA -0.135 4.185 4.320 0.000 0.000 0.219 46 A C 2.137 179.756 177.584 0.058 0.000 1.164 46 A CA 0.898 52.950 52.037 0.026 0.000 0.644 46 A CB -0.528 18.486 19.000 0.024 0.000 0.805 46 A HN 0.138 nan 8.150 nan 0.000 0.449 47 L N -1.051 120.211 121.223 0.064 0.000 2.201 47 L HA -0.080 4.260 4.340 0.000 0.000 0.212 47 L C 2.504 179.399 176.870 0.042 0.000 1.105 47 L CA 0.909 55.816 54.840 0.112 0.000 0.775 47 L CB -0.400 41.720 42.059 0.102 0.000 0.913 47 L HN 0.500 nan 8.230 nan 0.000 0.440 48 G N -0.732 108.070 108.800 0.003 0.000 2.880 48 G HA2 -0.061 3.899 3.960 0.000 0.000 0.209 48 G HA3 -0.061 3.899 3.960 0.000 0.000 0.209 48 G C 0.895 175.763 174.900 -0.053 0.000 1.157 48 G CA 0.428 45.505 45.100 -0.038 0.000 0.779 48 G HN 0.414 nan 8.290 nan 0.000 0.539 49 S N -0.424 115.259 115.700 -0.028 0.000 2.598 49 S HA -0.013 4.457 4.470 0.000 0.000 0.256 49 S C 1.909 176.479 174.600 -0.050 0.000 1.350 49 S CA 0.254 58.438 58.200 -0.028 0.000 0.984 49 S CB 0.603 63.802 63.200 -0.001 0.000 0.930 49 S HN 0.724 nan 8.310 nan 0.000 0.577 50 C N -0.046 119.232 119.300 -0.035 0.000 2.522 50 C HA 0.282 4.742 4.460 0.000 0.000 0.271 50 C C 2.235 177.212 174.990 -0.022 0.000 1.425 50 C CA -0.359 58.636 59.018 -0.037 0.000 1.751 50 C CB -2.113 25.612 27.740 -0.024 0.000 1.775 50 C HN 0.781 nan 8.230 nan 0.000 0.557 51 L N 1.659 122.885 121.223 0.005 0.000 2.353 51 L HA -0.116 4.224 4.340 0.000 0.000 0.220 51 L C 2.505 179.412 176.870 0.061 0.000 1.133 51 L CA 1.107 55.975 54.840 0.048 0.000 0.798 51 L CB -0.817 41.291 42.059 0.082 0.000 0.922 51 L HN 0.502 nan 8.230 nan 0.000 0.445 52 N N 0.752 119.432 118.700 -0.033 0.000 2.149 52 N HA -0.197 4.543 4.740 0.000 0.000 0.188 52 N C 1.318 176.765 175.510 -0.105 0.000 1.019 52 N CA 1.477 54.428 53.050 -0.166 0.000 0.857 52 N CB -0.356 37.888 38.487 -0.405 0.000 0.997 52 N HN 0.555 nan 8.380 nan 0.000 0.426 53 N N 0.335 118.989 118.700 -0.076 0.000 2.573 53 N HA -0.074 4.666 4.740 0.000 0.000 0.187 53 N C 0.266 175.763 175.510 -0.023 0.000 1.107 53 N CA 0.362 53.381 53.050 -0.052 0.000 0.918 53 N CB 0.176 38.640 38.487 -0.037 0.000 0.966 53 N HN 0.020 nan 8.380 nan 0.000 0.448 54 K N 0.599 120.993 120.400 -0.009 0.000 2.156 54 K HA 0.184 4.504 4.320 0.000 0.000 0.271 54 K C -1.605 175.000 176.600 0.009 0.000 0.995 54 K CA -0.517 55.784 56.287 0.024 0.000 0.890 54 K CB 0.353 32.882 32.500 0.047 0.000 1.073 54 K HN -0.095 nan 8.250 nan 0.000 0.454 55 Y N 1.854 122.162 120.300 0.015 0.000 2.335 55 Y HA 0.214 4.764 4.550 0.000 0.000 0.339 55 Y C 0.085 176.067 175.900 0.137 0.000 0.987 55 Y CA 0.112 58.250 58.100 0.064 0.000 1.140 55 Y CB 1.295 39.764 38.460 0.015 0.000 1.173 55 Y HN 0.657 nan 8.280 nan 0.000 0.486 56 S N 1.546 117.387 115.700 0.235 0.000 2.474 56 S HA 0.213 4.683 4.470 0.000 0.000 0.224 56 S C 0.758 175.310 174.600 -0.080 0.000 1.209 56 S CA -0.674 57.593 58.200 0.111 0.000 1.212 56 S CB 0.267 63.477 63.200 0.018 0.000 1.137 56 S HN 0.774 nan 8.310 nan 0.000 0.446 57 E N 2.304 122.462 120.200 -0.071 0.000 2.103 57 E HA -0.171 4.179 4.350 0.000 0.000 0.229 57 E C 1.704 177.636 176.600 -1.114 0.000 1.061 57 E CA 2.300 58.340 56.400 -0.600 0.000 0.916 57 E CB -0.731 28.601 29.700 -0.614 0.000 0.806 57 E HN 0.762 nan 8.360 nan 0.000 0.489 58 G N -1.478 106.846 108.800 -0.794 0.000 2.519 58 G HA2 0.029 3.990 3.960 0.000 0.000 0.161 58 G HA3 0.029 3.990 3.960 0.000 0.000 0.161 58 G C -0.405 174.180 174.900 -0.525 0.000 1.671 58 G CA 0.358 45.128 45.100 -0.550 0.000 1.028 58 G HN 0.243 nan 8.290 nan 0.000 0.486 59 Y N -0.976 119.301 120.300 -0.038 0.000 2.633 59 Y HA 0.408 4.959 4.550 0.000 0.000 0.339 59 Y C -1.381 174.524 175.900 0.009 0.000 1.045 59 Y CA -1.653 56.439 58.100 -0.013 0.000 1.098 59 Y CB 1.868 40.343 38.460 0.025 0.000 1.296 59 Y HN 0.144 nan 8.280 nan 0.000 0.494 60 P HA -0.213 nan 4.420 nan 0.000 0.216 60 P C 1.300 178.663 177.300 0.105 0.000 1.157 60 P CA 2.768 65.934 63.100 0.109 0.000 0.880 60 P CB 0.075 31.835 31.700 0.101 0.000 0.791 61 G N -0.129 108.746 108.800 0.125 0.000 2.604 61 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 61 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 61 G C 0.494 175.458 174.900 0.107 0.000 1.265 61 G CA 0.596 45.754 45.100 0.097 0.000 0.804 61 G HN 0.316 nan 8.290 nan 0.000 0.579 62 Q N 0.945 120.834 119.800 0.149 0.000 2.394 62 Q HA 0.464 4.804 4.340 0.000 0.000 0.259 62 Q C -0.719 175.403 176.000 0.203 0.000 1.021 62 Q CA -0.715 55.185 55.803 0.162 0.000 0.805 62 Q CB 1.642 30.482 28.738 0.171 0.000 1.226 62 Q HN 0.183 nan 8.270 nan 0.000 0.476 63 R N 2.068 122.662 120.500 0.157 0.000 2.596 63 R HA 0.325 4.665 4.340 0.000 0.000 0.267 63 R C 0.161 176.612 176.300 0.251 0.000 1.026 63 R CA -0.647 55.534 56.100 0.135 0.000 1.087 63 R CB 0.288 30.635 30.300 0.079 0.000 1.132 63 R HN 0.587 nan 8.270 nan 0.000 0.531 64 Y N -0.644 119.547 120.300 -0.181 0.000 2.478 64 Y HA 0.178 4.728 4.550 0.000 0.000 0.261 64 Y C 0.196 175.855 175.900 -0.401 0.000 1.127 64 Y CA -0.177 57.726 58.100 -0.329 0.000 1.288 64 Y CB 0.070 38.220 38.460 -0.517 0.000 1.084 64 Y HN 0.410 nan 8.280 nan 0.000 0.530 65 Y N -1.697 118.697 120.300 0.157 0.000 2.914 65 Y HA 0.646 5.196 4.550 0.000 0.000 0.324 65 Y C 1.549 177.483 175.900 0.057 0.000 1.280 65 Y CA -0.980 57.172 58.100 0.085 0.000 1.133 65 Y CB 0.298 38.803 38.460 0.077 0.000 1.395 65 Y HN -0.257 nan 8.280 nan 0.000 0.645 66 G N -1.077 107.868 108.800 0.242 0.000 2.906 66 G HA2 0.127 4.087 3.960 0.000 0.000 0.200 66 G HA3 0.127 4.087 3.960 0.000 0.000 0.200 66 G C 1.033 175.973 174.900 0.068 0.000 1.101 66 G CA 0.283 45.455 45.100 0.120 0.000 0.760 66 G HN 0.804 nan 8.290 nan 0.000 0.694 67 G N 1.646 110.479 108.800 0.055 0.000 3.180 67 G HA2 0.296 4.256 3.960 0.000 0.000 0.246 67 G HA3 0.296 4.256 3.960 0.000 0.000 0.246 67 G C 0.904 175.808 174.900 0.007 0.000 0.939 67 G CA 0.920 46.031 45.100 0.019 0.000 1.920 67 G HN 0.610 nan 8.290 nan 0.000 0.612 68 T N -3.078 111.477 114.554 0.001 0.000 3.269 68 T HA 0.273 4.623 4.350 0.000 0.000 0.269 68 T C 1.195 175.857 174.700 -0.063 0.000 0.993 68 T CA -0.303 61.795 62.100 -0.004 0.000 0.909 68 T CB 0.385 69.280 68.868 0.044 0.000 1.115 68 T HN 0.194 nan 8.240 nan 0.000 0.543 69 E N 1.062 121.144 120.200 -0.196 0.000 2.110 69 E HA -0.100 4.250 4.350 0.000 0.000 0.193 69 E C 1.788 178.275 176.600 -0.188 0.000 0.988 69 E CA 1.372 57.619 56.400 -0.256 0.000 0.804 69 E CB -0.184 29.242 29.700 -0.457 0.000 0.745 69 E HN 0.659 nan 8.360 nan 0.000 0.458 70 H N -0.594 118.490 119.070 0.024 0.000 2.431 70 H HA 0.103 4.659 4.556 0.000 0.000 0.295 70 H C 1.869 177.208 175.328 0.018 0.000 1.038 70 H CA 0.594 56.653 56.048 0.019 0.000 1.360 70 H CB 0.007 29.779 29.762 0.016 0.000 1.433 70 H HN 0.102 nan 8.280 nan 0.000 0.536 71 I N 1.445 122.086 120.570 0.119 0.000 2.361 71 I HA -0.168 4.002 4.170 0.000 0.000 0.251 71 I C 1.286 177.432 176.117 0.048 0.000 1.133 71 I CA 1.059 62.402 61.300 0.072 0.000 1.413 71 I CB -0.777 37.254 38.000 0.052 0.000 1.073 71 I HN 0.078 nan 8.210 nan 0.000 0.424 72 D N 0.418 120.844 120.400 0.042 0.000 2.162 72 D HA -0.146 4.494 4.640 0.000 0.000 0.203 72 D C 2.120 178.447 176.300 0.045 0.000 0.967 72 D CA 0.734 54.757 54.000 0.037 0.000 0.840 72 D CB -0.084 40.733 40.800 0.029 0.000 0.972 72 D HN 0.386 nan 8.370 nan 0.000 0.482 73 E N -0.053 120.183 120.200 0.059 0.000 2.051 73 E HA -0.174 4.176 4.350 0.000 0.000 0.192 73 E C 1.936 178.566 176.600 0.050 0.000 0.991 73 E CA 0.569 57.007 56.400 0.063 0.000 0.799 73 E CB -0.023 29.739 29.700 0.103 0.000 0.748 73 E HN 0.104 nan 8.360 nan 0.000 0.449 74 L N 1.485 122.740 121.223 0.054 0.000 1.976 74 L HA -0.179 4.161 4.340 0.000 0.000 0.209 74 L C 2.277 179.161 176.870 0.023 0.000 1.071 74 L CA 2.264 57.126 54.840 0.035 0.000 0.746 74 L CB -0.624 41.457 42.059 0.038 0.000 0.890 74 L HN 0.171 nan 8.230 nan 0.000 0.432 75 E N -1.361 118.853 120.200 0.022 0.000 2.118 75 E HA -0.236 4.114 4.350 0.000 0.000 0.195 75 E C 1.827 178.440 176.600 0.022 0.000 0.992 75 E CA 1.870 58.279 56.400 0.015 0.000 0.804 75 E CB -0.068 29.640 29.700 0.015 0.000 0.741 75 E HN 0.638 nan 8.360 nan 0.000 0.458 76 T N 1.378 115.951 114.554 0.030 0.000 2.777 76 T HA -0.164 4.186 4.350 0.000 0.000 0.266 76 T C 1.762 176.473 174.700 0.018 0.000 1.040 76 T CA 1.079 63.197 62.100 0.030 0.000 1.141 76 T CB -0.294 68.595 68.868 0.034 0.000 0.868 76 T HN 0.138 nan 8.240 nan 0.000 0.444 77 L N 1.032 122.264 121.223 0.016 0.000 2.042 77 L HA -0.052 4.288 4.340 0.000 0.000 0.210 77 L C 2.621 179.490 176.870 -0.001 0.000 1.076 77 L CA 1.448 56.292 54.840 0.008 0.000 0.749 77 L CB -1.177 40.888 42.059 0.009 0.000 0.893 77 L HN 0.382 nan 8.230 nan 0.000 0.432 78 C N -0.459 118.839 119.300 -0.003 0.000 2.432 78 C HA -0.168 4.292 4.460 0.000 0.000 0.277 78 C C 2.786 177.763 174.990 -0.022 0.000 1.249 78 C CA 1.220 60.229 59.018 -0.014 0.000 1.725 78 C CB -0.783 26.947 27.740 -0.018 0.000 2.028 78 C HN 0.692 nan 8.230 nan 0.000 0.477 79 Q N 0.011 119.800 119.800 -0.019 0.000 2.124 79 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 79 Q C 2.404 178.396 176.000 -0.013 0.000 0.977 79 Q CA 1.425 57.209 55.803 -0.032 0.000 0.850 79 Q CB -0.205 28.527 28.738 -0.009 0.000 0.901 79 Q HN 0.549 nan 8.270 nan 0.000 0.429 80 K N 1.090 121.490 120.400 -0.001 0.000 2.062 80 K HA -0.094 4.226 4.320 0.000 0.000 0.205 80 K C 1.905 178.505 176.600 -0.001 0.000 1.051 80 K CA 1.092 57.381 56.287 0.004 0.000 0.941 80 K CB 0.053 32.556 32.500 0.005 0.000 0.719 80 K HN 0.133 nan 8.250 nan 0.000 0.440 81 R N 0.122 120.617 120.500 -0.008 0.000 2.081 81 R HA -0.098 4.242 4.340 0.000 0.000 0.235 81 R C 2.397 178.695 176.300 -0.002 0.000 1.131 81 R CA 1.229 57.317 56.100 -0.020 0.000 0.960 81 R CB -0.393 29.889 30.300 -0.030 0.000 0.856 81 R HN 0.203 nan 8.270 nan 0.000 0.436 82 A N 1.572 124.415 122.820 0.038 0.000 1.851 82 A HA -0.167 4.153 4.320 0.000 0.000 0.216 82 A C 2.237 179.982 177.584 0.268 0.000 1.195 82 A CA 1.338 53.473 52.037 0.163 0.000 0.622 82 A CB -0.709 18.322 19.000 0.052 0.000 0.831 82 A HN 0.188 nan 8.150 nan 0.000 0.444 83 L N -1.072 120.246 121.223 0.159 0.000 2.131 83 L HA -0.233 4.107 4.340 0.000 0.000 0.210 83 L C 2.897 179.752 176.870 -0.025 0.000 1.092 83 L CA 1.704 56.595 54.840 0.086 0.000 0.759 83 L CB -0.517 41.574 42.059 0.053 0.000 0.903 83 L HN 0.592 nan 8.230 nan 0.000 0.435 84 Q N 0.088 119.874 119.800 -0.022 0.000 1.965 84 Q HA -0.208 4.132 4.340 0.000 0.000 0.200 84 Q C 2.355 178.281 176.000 -0.123 0.000 0.981 84 Q CA 1.762 57.526 55.803 -0.064 0.000 0.834 84 Q CB -0.178 28.530 28.738 -0.050 0.000 0.900 84 Q HN 0.490 nan 8.270 nan 0.000 0.426 85 A N -0.475 122.252 122.820 -0.155 0.000 2.093 85 A HA -0.198 4.122 4.320 0.000 0.000 0.222 85 A C 1.097 178.366 177.584 -0.525 0.000 1.162 85 A CA 1.436 53.282 52.037 -0.318 0.000 0.655 85 A CB -0.565 18.211 19.000 -0.373 0.000 0.805 85 A HN 0.589 nan 8.150 nan 0.000 0.461 86 Y N -0.988 119.155 120.300 -0.262 0.000 2.507 86 Y HA 0.393 4.943 4.550 0.000 0.000 0.254 86 Y C 1.475 177.107 175.900 -0.447 0.000 1.171 86 Y CA -0.225 57.616 58.100 -0.431 0.000 1.238 86 Y CB 0.002 37.956 38.460 -0.844 0.000 1.148 86 Y HN 0.375 nan 8.280 nan 0.000 0.525 87 G N 1.884 110.553 108.800 -0.219 0.000 2.381 87 G HA2 -0.259 3.701 3.960 0.000 0.000 0.281 87 G HA3 -0.259 3.701 3.960 0.000 0.000 0.281 87 G C -0.750 174.019 174.900 -0.217 0.000 0.984 87 G CA 0.016 45.012 45.100 -0.173 0.000 1.339 87 G HN 0.309 nan 8.290 nan 0.000 0.485 88 L N 0.932 122.030 121.223 -0.208 0.000 2.385 88 L HA 0.411 4.751 4.340 0.000 0.000 0.273 88 L C 1.125 178.001 176.870 0.011 0.000 0.990 88 L CA -1.080 53.653 54.840 -0.180 0.000 0.821 88 L CB 1.692 43.462 42.059 -0.482 0.000 1.279 88 L HN 0.282 nan 8.230 nan 0.000 0.412 89 D N 2.356 122.817 120.400 0.102 0.000 2.084 89 D HA -0.138 4.502 4.640 0.000 0.000 0.196 89 D C -0.227 176.153 176.300 0.133 0.000 0.985 89 D CA 1.135 55.193 54.000 0.097 0.000 0.826 89 D CB 0.240 41.096 40.800 0.093 0.000 0.978 89 D HN 0.420 nan 8.370 nan 0.000 0.456 90 W N -1.527 119.759 121.300 -0.022 0.000 3.078 90 W HA -0.092 4.568 4.660 0.000 0.000 0.457 90 W C 0.571 177.026 176.519 -0.106 0.000 1.814 90 W CA 0.125 57.435 57.345 -0.058 0.000 0.459 90 W CB -1.190 28.234 29.460 -0.060 0.000 2.859 90 W HN 0.177 nan 8.180 nan 0.000 0.416 91 G N 0.533 109.296 108.800 -0.061 0.000 3.257 91 G HA2 0.677 4.637 3.960 0.000 0.000 0.205 91 G HA3 0.677 4.637 3.960 0.000 0.000 0.205 91 G C -1.139 173.300 174.900 -0.768 0.000 1.234 91 G CA -0.389 44.515 45.100 -0.326 0.000 0.918 91 G HN 0.671 nan 8.290 nan 0.000 0.602 92 N N -1.058 117.618 118.700 -0.040 0.000 2.287 92 N HA 0.357 5.098 4.740 0.000 0.000 0.289 92 N C -0.899 174.585 175.510 -0.044 0.000 1.066 92 N CA -0.409 52.699 53.050 0.098 0.000 0.841 92 N CB 2.407 41.005 38.487 0.186 0.000 1.599 92 N HN 0.119 nan 8.380 nan 0.000 0.476 93 V N 2.953 122.860 119.914 -0.012 0.000 3.346 93 V HA 0.150 4.270 4.120 0.000 0.000 0.309 93 V C 1.393 177.443 176.094 -0.074 0.000 1.457 93 V CA 0.279 62.537 62.300 -0.071 0.000 1.069 93 V CB 0.253 32.034 31.823 -0.069 0.000 0.944 93 V HN 0.652 nan 8.190 nan 0.000 0.449 94 Q N 0.529 120.279 119.800 -0.084 0.000 2.424 94 Q HA 0.100 4.440 4.340 0.000 0.000 0.204 94 Q C -1.794 174.043 176.000 -0.272 0.000 0.933 94 Q CA -0.634 55.064 55.803 -0.175 0.000 0.929 94 Q CB -0.552 28.047 28.738 -0.231 0.000 1.037 94 Q HN 0.492 nan 8.270 nan 0.000 0.511 95 P HA -0.120 nan 4.420 nan 0.000 0.264 95 P C -0.443 176.768 177.300 -0.147 0.000 1.193 95 P CA 0.494 63.465 63.100 -0.214 0.000 0.763 95 P CB 0.246 31.890 31.700 -0.093 0.000 0.810 96 Y N 0.886 121.122 120.300 -0.107 0.000 2.574 96 Y HA 0.112 4.663 4.550 0.000 0.000 0.294 96 Y C 1.417 177.296 175.900 -0.034 0.000 1.142 96 Y CA 0.728 58.750 58.100 -0.130 0.000 1.314 96 Y CB -0.025 38.339 38.460 -0.159 0.000 0.991 96 Y HN 0.324 nan 8.280 nan 0.000 0.555 97 S N -2.917 112.858 115.700 0.125 0.000 2.686 97 S HA 0.396 4.866 4.470 0.000 0.000 0.273 97 S C 1.004 175.668 174.600 0.107 0.000 1.060 97 S CA -0.408 57.872 58.200 0.134 0.000 0.845 97 S CB -0.078 63.207 63.200 0.141 0.000 1.086 97 S HN 0.267 nan 8.310 nan 0.000 0.461 98 G N 1.945 110.821 108.800 0.127 0.000 2.599 98 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 98 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 98 G C 1.576 176.501 174.900 0.042 0.000 1.193 98 G CA 1.855 46.984 45.100 0.048 0.000 0.778 98 G HN 0.788 nan 8.290 nan 0.000 0.589 99 S N 1.644 117.394 115.700 0.083 0.000 2.377 99 S HA -0.123 4.347 4.470 0.000 0.000 0.224 99 S C 0.477 175.156 174.600 0.132 0.000 1.042 99 S CA 1.926 60.205 58.200 0.131 0.000 1.086 99 S CB -1.002 62.300 63.200 0.171 0.000 0.995 99 S HN 0.480 nan 8.310 nan 0.000 0.428 100 P HA -0.045 nan 4.420 nan 0.000 0.221 100 P C 1.089 178.434 177.300 0.075 0.000 1.145 100 P CA 1.433 64.597 63.100 0.106 0.000 0.795 100 P CB -0.095 31.649 31.700 0.072 0.000 0.775 101 A N 0.226 123.059 122.820 0.022 0.000 1.930 101 A HA -0.169 4.151 4.320 0.000 0.000 0.217 101 A C 2.227 179.753 177.584 -0.098 0.000 1.175 101 A CA 1.536 53.555 52.037 -0.030 0.000 0.627 101 A CB -1.149 17.835 19.000 -0.027 0.000 0.815 101 A HN 0.122 nan 8.150 nan 0.000 0.443 102 N N -0.980 117.648 118.700 -0.119 0.000 2.135 102 N HA -0.083 4.657 4.740 0.000 0.000 0.186 102 N C 1.423 176.513 175.510 -0.700 0.000 1.027 102 N CA 1.230 54.052 53.050 -0.381 0.000 0.849 102 N CB -0.619 37.768 38.487 -0.167 0.000 1.002 102 N HN 0.461 nan 8.380 nan 0.000 0.425 103 F N 1.874 121.618 119.950 -0.344 0.000 2.120 103 F HA -0.182 4.345 4.527 0.000 0.000 0.300 103 F C 2.185 177.890 175.800 -0.159 0.000 1.095 103 F CA 1.421 59.338 58.000 -0.138 0.000 1.249 103 F CB -0.342 38.723 39.000 0.108 0.000 0.995 103 F HN 0.047 nan 8.300 nan 0.000 0.480 104 A N -0.519 122.289 122.820 -0.020 0.000 1.902 104 A HA -0.138 4.182 4.320 0.000 0.000 0.217 104 A C 2.332 179.798 177.584 -0.196 0.000 1.181 104 A CA 1.896 53.894 52.037 -0.065 0.000 0.623 104 A CB -1.344 17.644 19.000 -0.021 0.000 0.818 104 A HN 0.248 nan 8.150 nan 0.000 0.443 105 V N -0.842 118.903 119.914 -0.282 0.000 2.255 105 V HA -0.303 3.817 4.120 0.000 0.000 0.247 105 V C 2.456 178.375 176.094 -0.292 0.000 1.051 105 V CA 2.166 64.301 62.300 -0.275 0.000 1.018 105 V CB -1.182 30.477 31.823 -0.272 0.000 0.641 105 V HN 0.674 nan 8.190 nan 0.000 0.445 106 Y N 0.808 120.886 120.300 -0.370 0.000 2.256 106 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 106 Y C 2.762 178.267 175.900 -0.659 0.000 1.155 106 Y CA 1.454 59.149 58.100 -0.675 0.000 1.203 106 Y CB -1.905 35.851 38.460 -1.172 0.000 0.980 106 Y HN 0.233 nan 8.280 nan 0.000 0.530 107 T N -0.305 114.056 114.554 -0.321 0.000 2.904 107 T HA -0.040 4.310 4.350 0.000 0.000 0.267 107 T C 2.182 176.837 174.700 -0.074 0.000 1.059 107 T CA 1.135 63.170 62.100 -0.108 0.000 1.137 107 T CB -0.390 68.418 68.868 -0.100 0.000 0.879 107 T HN 0.440 nan 8.240 nan 0.000 0.467 108 A N 0.913 123.658 122.820 -0.124 0.000 1.878 108 A HA 0.224 4.544 4.320 0.000 0.000 0.213 108 A C 2.177 179.688 177.584 -0.122 0.000 1.192 108 A CA 0.799 52.767 52.037 -0.114 0.000 0.619 108 A CB -0.446 18.470 19.000 -0.140 0.000 0.837 108 A HN 0.423 nan 8.150 nan 0.000 0.446 109 L N -0.672 120.449 121.223 -0.172 0.000 2.200 109 L HA 0.109 4.449 4.340 0.000 0.000 0.200 109 L C 0.424 177.255 176.870 -0.066 0.000 1.072 109 L CA 0.126 54.852 54.840 -0.189 0.000 0.787 109 L CB -0.379 41.418 42.059 -0.437 0.000 0.957 109 L HN 0.077 nan 8.230 nan 0.000 0.459 110 V N 0.170 120.032 119.914 -0.087 0.000 2.785 110 V HA 0.171 4.291 4.120 0.000 0.000 0.300 110 V C 0.073 176.183 176.094 0.027 0.000 1.062 110 V CA -0.464 61.813 62.300 -0.039 0.000 1.029 110 V CB 1.750 33.458 31.823 -0.192 0.000 1.024 110 V HN 0.223 nan 8.190 nan 0.000 0.477 111 E N 3.080 123.364 120.200 0.139 0.000 2.518 111 E HA 0.381 4.732 4.350 0.000 0.000 0.241 111 E C -2.529 174.280 176.600 0.348 0.000 0.899 111 E CA -2.051 54.475 56.400 0.210 0.000 0.888 111 E CB 0.582 30.349 29.700 0.112 0.000 1.426 111 E HN 0.398 nan 8.360 nan 0.000 0.401 112 P HA 0.092 nan 4.420 nan 0.000 0.238 112 P C -0.717 176.583 177.300 0.000 0.000 1.679 112 P CA 0.692 63.735 63.100 -0.096 0.000 1.080 112 P CB -0.338 31.255 31.700 -0.178 0.000 1.961 116 I N 3.145 123.820 120.570 0.174 0.000 2.647 116 I HA 0.525 4.695 4.170 0.000 0.000 0.295 116 I C -0.503 175.770 176.117 0.261 0.000 1.078 116 I CA -0.816 60.557 61.300 0.123 0.000 1.048 116 I CB 2.291 40.225 38.000 -0.110 0.000 1.239 116 I HN 0.364 nan 8.210 nan 0.000 0.421 117 M N 4.031 123.762 119.600 0.218 0.000 2.326 117 M HA 0.619 5.099 4.480 0.000 0.000 0.306 117 M C -0.322 176.106 176.300 0.214 0.000 1.054 117 M CA -0.454 54.988 55.300 0.236 0.000 0.922 117 M CB 2.258 35.038 32.600 0.299 0.000 1.632 117 M HN 0.727 nan 8.290 nan 0.000 0.436 118 G N 1.685 110.539 108.800 0.090 0.000 2.725 118 G HA2 0.661 4.621 3.960 0.000 0.000 0.288 118 G HA3 0.661 4.621 3.960 0.000 0.000 0.288 118 G C -1.997 172.522 174.900 -0.635 0.000 1.399 118 G CA -0.789 44.253 45.100 -0.097 0.000 0.859 118 G HN 0.583 nan 8.290 nan 0.000 0.479 119 L N 0.687 121.385 121.223 -0.875 0.000 2.453 119 L HA 0.343 4.683 4.340 0.000 0.000 0.272 119 L C 0.316 176.966 176.870 -0.367 0.000 1.182 119 L CA -0.429 53.847 54.840 -0.940 0.000 0.858 119 L CB 0.687 42.373 42.059 -0.622 0.000 1.120 119 L HN 0.507 nan 8.230 nan 0.000 0.474 120 D N 2.603 122.829 120.400 -0.290 0.000 2.449 120 D HA -0.054 4.587 4.640 0.000 0.000 0.236 120 D C 1.101 177.354 176.300 -0.078 0.000 1.149 120 D CA -0.162 53.771 54.000 -0.111 0.000 0.878 120 D CB 0.739 41.493 40.800 -0.076 0.000 1.198 120 D HN 0.554 nan 8.370 nan 0.000 0.446 121 L N 5.680 126.885 121.223 -0.030 0.000 1.971 121 L HA -0.092 4.248 4.340 0.000 0.000 0.215 121 L C -0.841 175.958 176.870 -0.119 0.000 1.072 121 L CA 1.977 56.739 54.840 -0.130 0.000 0.758 121 L CB -1.994 39.873 42.059 -0.320 0.000 0.889 121 L HN 0.559 nan 8.230 nan 0.000 0.433 122 P HA -0.102 nan 4.420 nan 0.000 0.226 122 P C 0.236 177.505 177.300 -0.052 0.000 1.153 122 P CA 1.112 64.176 63.100 -0.060 0.000 0.777 122 P CB -0.003 31.681 31.700 -0.027 0.000 0.794 123 D N -0.815 119.547 120.400 -0.063 0.000 2.328 123 D HA 0.231 4.871 4.640 0.000 0.000 0.221 123 D C 1.495 177.752 176.300 -0.071 0.000 1.072 123 D CA 0.734 54.696 54.000 -0.064 0.000 0.850 123 D CB -0.312 40.432 40.800 -0.093 0.000 0.922 123 D HN 0.178 nan 8.370 nan 0.000 0.516 124 G N -0.559 108.197 108.800 -0.072 0.000 2.163 124 G HA2 -0.133 3.827 3.960 0.000 0.000 0.213 124 G HA3 -0.133 3.827 3.960 0.000 0.000 0.213 124 G C 0.757 175.619 174.900 -0.063 0.000 0.991 124 G CA -0.219 44.846 45.100 -0.058 0.000 0.653 124 G HN 0.563 nan 8.290 nan 0.000 0.518 125 G N -0.954 107.801 108.800 -0.074 0.000 2.535 125 G HA2 0.575 4.535 3.960 0.000 0.000 0.282 125 G HA3 0.575 4.535 3.960 0.000 0.000 0.282 125 G C -0.350 174.539 174.900 -0.018 0.000 1.350 125 G CA 0.068 45.178 45.100 0.017 0.000 1.039 125 G HN 0.835 nan 8.290 nan 0.000 0.509 126 H N -1.265 117.665 119.070 -0.233 0.000 2.529 126 H HA 0.422 4.978 4.556 0.000 0.000 0.348 126 H C 1.422 176.551 175.328 -0.331 0.000 1.152 126 H CA -0.935 54.854 56.048 -0.432 0.000 1.202 126 H CB 1.492 30.835 29.762 -0.697 0.000 1.562 126 H HN 0.238 nan 8.280 nan 0.000 0.515 127 L N 1.553 122.253 121.223 -0.871 0.000 2.010 127 L HA -0.276 4.064 4.340 0.000 0.000 0.219 127 L C 2.283 179.155 176.870 0.004 0.000 1.077 127 L CA 2.339 56.919 54.840 -0.434 0.000 0.773 127 L CB -0.600 41.157 42.059 -0.503 0.000 0.892 127 L HN 0.917 nan 8.230 nan 0.000 0.436 128 T N -4.709 109.990 114.554 0.240 0.000 3.077 128 T HA -0.207 4.143 4.350 0.000 0.000 0.269 128 T C 1.192 176.237 174.700 0.574 0.000 1.146 128 T CA 1.039 63.428 62.100 0.482 0.000 1.091 128 T CB -0.753 68.443 68.868 0.546 0.000 0.892 128 T HN 0.543 nan 8.240 nan 0.000 0.533 129 H N 1.062 120.340 119.070 0.347 0.000 2.533 129 H HA 0.458 5.014 4.556 0.000 0.000 0.271 129 H C 1.169 176.565 175.328 0.112 0.000 1.000 129 H CA -0.396 55.781 56.048 0.215 0.000 1.149 129 H CB -0.059 29.793 29.762 0.151 0.000 1.375 129 H HN 0.655 nan 8.280 nan 0.000 0.582 130 G N 1.154 110.117 108.800 0.272 0.000 2.906 130 G HA2 -0.064 3.896 3.960 0.000 0.000 0.686 130 G HA3 -0.064 3.896 3.960 0.000 0.000 0.686 130 G C -1.459 173.601 174.900 0.267 0.000 1.170 130 G CA -0.830 44.394 45.100 0.206 0.000 0.775 130 G HN 0.203 nan 8.290 nan 0.000 0.630 131 F N 4.267 124.244 119.950 0.045 0.000 3.055 131 F HA 0.724 5.251 4.527 0.000 0.000 0.358 131 F C -0.432 175.369 175.800 0.003 0.000 1.262 131 F CA -0.741 57.263 58.000 0.006 0.000 1.172 131 F CB 1.075 40.067 39.000 -0.014 0.000 1.503 131 F HN 0.997 nan 8.300 nan 0.000 0.621 132 M N 3.861 123.062 119.600 -0.665 0.000 2.683 132 M HA 0.864 5.344 4.480 0.000 0.000 0.274 132 M C -1.110 174.865 176.300 -0.542 0.000 1.272 132 M CA -0.505 54.422 55.300 -0.623 0.000 0.833 132 M CB 2.354 34.796 32.600 -0.262 0.000 1.708 132 M HN 0.512 nan 8.290 nan 0.000 0.463 133 T N -3.738 110.585 114.554 -0.386 0.000 2.573 133 T HA 0.390 4.740 4.350 0.000 0.000 0.259 133 T C 0.002 174.618 174.700 -0.141 0.000 0.886 133 T CA -0.122 61.839 62.100 -0.232 0.000 1.110 133 T CB 0.581 69.328 68.868 -0.202 0.000 1.421 133 T HN 0.764 nan 8.240 nan 0.000 0.523 134 D N 0.169 120.512 120.400 -0.096 0.000 2.348 134 D HA 0.168 4.809 4.640 0.000 0.000 0.248 134 D C 0.568 176.831 176.300 -0.062 0.000 1.142 134 D CA 0.349 54.310 54.000 -0.066 0.000 0.904 134 D CB -0.085 40.688 40.800 -0.045 0.000 0.901 134 D HN 0.467 nan 8.370 nan 0.000 0.523 135 I N -1.583 118.905 120.570 -0.137 0.000 5.269 135 I HA -0.144 4.026 4.170 0.000 0.000 0.301 135 I C 0.348 176.524 176.117 0.099 0.000 0.947 135 I CA 0.124 61.420 61.300 -0.007 0.000 1.660 135 I CB -0.342 37.708 38.000 0.082 0.000 2.398 135 I HN 0.017 nan 8.210 nan 0.000 0.765 136 S N 1.714 117.512 115.700 0.164 0.000 2.601 136 S HA 0.642 5.112 4.470 0.000 0.000 0.271 136 S C 1.387 176.093 174.600 0.178 0.000 1.305 136 S CA 0.217 58.545 58.200 0.213 0.000 1.022 136 S CB 1.643 65.018 63.200 0.291 0.000 0.940 136 S HN 0.399 nan 8.310 nan 0.000 0.525 137 A N 3.023 125.983 122.820 0.234 0.000 2.067 137 A HA 0.056 4.376 4.320 0.000 0.000 0.219 137 A C 1.787 179.680 177.584 0.515 0.000 1.158 137 A CA 1.578 53.793 52.037 0.296 0.000 0.661 137 A CB -1.344 17.881 19.000 0.376 0.000 0.801 137 A HN 0.888 nan 8.150 nan 0.000 0.452 138 T N 0.596 115.488 114.554 0.563 0.000 3.570 138 T HA 0.060 4.410 4.350 0.000 0.000 0.258 138 T C 1.092 176.040 174.700 0.412 0.000 1.178 138 T CA 0.828 63.303 62.100 0.625 0.000 1.002 138 T CB -1.010 68.120 68.868 0.437 0.000 0.993 138 T HN 0.475 nan 8.240 nan 0.000 0.567 139 I N -0.610 119.918 120.570 -0.070 0.000 4.180 139 I HA -0.413 3.757 4.170 0.000 0.000 0.103 139 I C 0.976 176.834 176.117 -0.432 0.000 0.563 139 I CA 1.837 62.945 61.300 -0.321 0.000 1.077 139 I CB -0.802 36.840 38.000 -0.596 0.000 0.953 139 I HN 0.378 nan 8.210 nan 0.000 0.197 140 F N 1.218 121.024 119.950 -0.240 0.000 2.731 140 F HA 0.186 4.713 4.527 0.000 0.000 0.304 140 F C 0.681 175.838 175.800 -1.073 0.000 1.133 140 F CA 0.543 58.132 58.000 -0.685 0.000 1.380 140 F CB 0.046 38.572 39.000 -0.789 0.000 1.079 140 F HN -0.009 nan 8.300 nan 0.000 0.550 141 E N 0.552 120.927 120.200 0.291 0.000 2.316 141 E HA 0.245 4.595 4.350 0.000 0.000 0.254 141 E C -0.588 176.202 176.600 0.317 0.000 0.902 141 E CA -0.258 56.297 56.400 0.258 0.000 0.801 141 E CB 1.713 31.562 29.700 0.249 0.000 1.270 141 E HN 0.091 nan 8.360 nan 0.000 0.414 142 S N 2.579 118.425 115.700 0.244 0.000 2.593 142 S HA 0.791 5.261 4.470 0.000 0.000 0.297 142 S C 0.050 174.695 174.600 0.075 0.000 1.112 142 S CA -0.802 57.525 58.200 0.211 0.000 1.043 142 S CB 1.954 65.224 63.200 0.117 0.000 1.054 142 S HN 0.483 nan 8.310 nan 0.000 0.516 143 M N 2.374 121.921 119.600 -0.088 0.000 2.378 143 M HA 0.635 5.115 4.480 0.000 0.000 0.289 143 M C -0.940 175.246 176.300 -0.189 0.000 1.136 143 M CA -0.610 54.477 55.300 -0.356 0.000 0.917 143 M CB 2.026 33.963 32.600 -1.104 0.000 1.669 143 M HN 1.027 nan 8.290 nan 0.000 0.461 144 A N 3.224 125.966 122.820 -0.130 0.000 2.264 144 A HA 0.737 5.057 4.320 0.000 0.000 0.304 144 A C -1.488 176.088 177.584 -0.013 0.000 1.100 144 A CA -0.389 51.599 52.037 -0.082 0.000 0.839 144 A CB 0.490 19.435 19.000 -0.092 0.000 1.121 144 A HN 0.842 nan 8.150 nan 0.000 0.496 145 Y N -0.957 119.290 120.300 -0.089 0.000 2.509 145 Y HA 0.786 5.336 4.550 0.000 0.000 0.341 145 Y C -0.277 175.558 175.900 -0.109 0.000 1.038 145 Y CA -1.121 56.914 58.100 -0.108 0.000 1.089 145 Y CB 1.300 39.687 38.460 -0.122 0.000 1.241 145 Y HN 0.623 nan 8.280 nan 0.000 0.468 146 K N 1.768 122.205 120.400 0.062 0.000 2.346 146 K HA 0.725 5.045 4.320 0.000 0.000 0.238 146 K C -1.006 175.590 176.600 -0.007 0.000 1.039 146 K CA -1.314 54.960 56.287 -0.022 0.000 0.861 146 K CB 2.560 35.048 32.500 -0.020 0.000 1.278 146 K HN 0.669 nan 8.250 nan 0.000 0.460 147 V N -1.253 118.648 119.914 -0.022 0.000 2.716 147 V HA 0.329 4.449 4.120 0.000 0.000 0.304 147 V C 0.053 176.173 176.094 0.043 0.000 1.053 147 V CA -1.015 61.294 62.300 0.014 0.000 0.984 147 V CB 1.468 33.313 31.823 0.037 0.000 1.021 147 V HN 0.740 nan 8.190 nan 0.000 0.467 148 N N 4.436 123.185 118.700 0.083 0.000 2.468 148 N HA 0.166 4.906 4.740 0.000 0.000 0.265 148 N C -1.974 173.581 175.510 0.075 0.000 1.199 148 N CA -1.371 51.727 53.050 0.080 0.000 0.928 148 N CB 1.380 39.934 38.487 0.113 0.000 1.059 148 N HN 0.658 nan 8.380 nan 0.000 0.467 149 P HA 0.022 nan 4.420 nan 0.000 0.246 149 P C 0.735 178.061 177.300 0.043 0.000 1.686 149 P CA 0.043 63.167 63.100 0.040 0.000 0.867 149 P CB -0.826 30.888 31.700 0.024 0.000 1.733 150 T N -3.464 111.159 114.554 0.116 0.000 3.636 150 T HA -0.332 4.019 4.350 0.000 0.000 0.228 150 T C 1.573 176.433 174.700 0.267 0.000 0.956 150 T CA 1.857 64.079 62.100 0.203 0.000 1.255 150 T CB -2.099 66.907 68.868 0.230 0.000 0.731 150 T HN 0.436 nan 8.240 nan 0.000 0.553 151 G N -0.168 108.732 108.800 0.166 0.000 2.160 151 G HA2 -0.253 3.707 3.960 0.000 0.000 0.251 151 G HA3 -0.253 3.707 3.960 0.000 0.000 0.251 151 G C -0.122 174.820 174.900 0.071 0.000 1.008 151 G CA 0.386 45.534 45.100 0.079 0.000 0.724 151 G HN 0.804 nan 8.290 nan 0.000 0.514 152 Y N -0.606 119.781 120.300 0.145 0.000 2.446 152 Y HA 0.625 5.175 4.550 0.000 0.000 0.338 152 Y C 1.313 177.303 175.900 0.151 0.000 1.055 152 Y CA -1.267 56.972 58.100 0.231 0.000 1.101 152 Y CB 1.039 39.602 38.460 0.173 0.000 1.221 152 Y HN 0.140 nan 8.280 nan 0.000 0.460 153 I N 2.590 123.302 120.570 0.236 0.000 2.752 153 I HA -0.088 4.082 4.170 0.000 0.000 0.289 153 I C 0.091 176.143 176.117 -0.107 0.000 1.197 153 I CA 0.518 61.744 61.300 -0.124 0.000 1.432 153 I CB 0.248 37.932 38.000 -0.526 0.000 1.359 153 I HN 0.548 nan 8.210 nan 0.000 0.571 154 D N 6.627 126.972 120.400 -0.090 0.000 2.441 154 D HA 0.075 4.715 4.640 0.000 0.000 0.221 154 D C 0.452 176.689 176.300 -0.104 0.000 1.156 154 D CA -0.087 53.905 54.000 -0.014 0.000 0.896 154 D CB 0.368 41.177 40.800 0.015 0.000 1.028 154 D HN 0.309 nan 8.370 nan 0.000 0.509 155 Y N 1.376 121.670 120.300 -0.010 0.000 2.439 155 Y HA -0.051 4.499 4.550 0.000 0.000 0.292 155 Y C 1.906 177.769 175.900 -0.062 0.000 1.130 155 Y CA 0.396 58.457 58.100 -0.065 0.000 1.254 155 Y CB 0.251 38.675 38.460 -0.060 0.000 1.000 155 Y HN 0.359 nan 8.280 nan 0.000 0.554 156 D N -0.284 120.185 120.400 0.115 0.000 2.117 156 D HA -0.116 4.524 4.640 0.000 0.000 0.198 156 D C 2.183 178.494 176.300 0.018 0.000 0.982 156 D CA 0.867 54.900 54.000 0.056 0.000 0.828 156 D CB -0.011 40.816 40.800 0.044 0.000 0.967 156 D HN 0.149 nan 8.370 nan 0.000 0.464 157 R N 0.502 121.004 120.500 0.004 0.000 2.115 157 R HA -0.056 4.285 4.340 0.000 0.000 0.226 157 R C 2.252 178.531 176.300 -0.035 0.000 1.100 157 R CA 0.220 56.313 56.100 -0.012 0.000 0.980 157 R CB -0.745 29.549 30.300 -0.009 0.000 0.875 157 R HN 0.221 nan 8.270 nan 0.000 0.445 158 L N 1.436 122.614 121.223 -0.075 0.000 2.093 158 L HA -0.108 4.232 4.340 0.000 0.000 0.208 158 L C 2.126 178.944 176.870 -0.087 0.000 1.085 158 L CA 1.917 56.671 54.840 -0.143 0.000 0.755 158 L CB -0.509 41.329 42.059 -0.368 0.000 0.904 158 L HN 0.157 nan 8.230 nan 0.000 0.435 159 E N -0.672 119.502 120.200 -0.044 0.000 2.072 159 E HA -0.234 4.116 4.350 0.000 0.000 0.191 159 E C 1.978 178.568 176.600 -0.016 0.000 0.985 159 E CA 1.208 57.597 56.400 -0.019 0.000 0.801 159 E CB -0.039 29.663 29.700 0.003 0.000 0.750 159 E HN 0.662 nan 8.360 nan 0.000 0.452 160 E N 0.211 120.402 120.200 -0.015 0.000 2.017 160 E HA -0.184 4.166 4.350 0.000 0.000 0.193 160 E C 2.044 178.632 176.600 -0.020 0.000 0.997 160 E CA 1.311 57.703 56.400 -0.014 0.000 0.804 160 E CB -0.021 29.673 29.700 -0.010 0.000 0.757 160 E HN 0.173 nan 8.360 nan 0.000 0.448 161 N N 0.326 119.014 118.700 -0.020 0.000 2.149 161 N HA -0.155 4.585 4.740 0.000 0.000 0.188 161 N C 1.474 176.989 175.510 0.009 0.000 1.019 161 N CA 1.269 54.309 53.050 -0.017 0.000 0.857 161 N CB -0.344 38.124 38.487 -0.031 0.000 0.997 161 N HN 0.171 nan 8.380 nan 0.000 0.426 162 A N 0.361 123.185 122.820 0.007 0.000 2.067 162 A HA -0.056 4.264 4.320 0.000 0.000 0.219 162 A C 2.188 179.742 177.584 -0.050 0.000 1.158 162 A CA 0.944 53.002 52.037 0.034 0.000 0.661 162 A CB -0.313 18.699 19.000 0.020 0.000 0.801 162 A HN 0.191 nan 8.150 nan 0.000 0.452 163 R N -0.908 119.546 120.500 -0.076 0.000 2.189 163 R HA 0.106 4.446 4.340 0.000 0.000 0.218 163 R C 1.434 177.545 176.300 -0.315 0.000 1.074 163 R CA 0.860 56.879 56.100 -0.135 0.000 0.991 163 R CB -0.154 30.113 30.300 -0.056 0.000 0.883 163 R HN 0.564 nan 8.270 nan 0.000 0.457 164 L N -1.938 119.145 121.223 -0.233 0.000 2.357 164 L HA 0.069 4.409 4.340 0.000 0.000 0.211 164 L C 1.661 178.391 176.870 -0.234 0.000 1.075 164 L CA 0.132 54.840 54.840 -0.220 0.000 0.830 164 L CB -0.149 41.890 42.059 -0.034 0.000 0.996 164 L HN 0.071 nan 8.230 nan 0.000 0.467 165 F N 0.759 120.530 119.950 -0.298 0.000 2.473 165 F HA 0.072 4.599 4.527 0.000 0.000 0.294 165 F C 0.508 176.280 175.800 -0.046 0.000 1.103 165 F CA -0.034 57.895 58.000 -0.118 0.000 1.442 165 F CB -0.225 38.748 39.000 -0.045 0.000 1.097 165 F HN 0.161 nan 8.300 nan 0.000 0.547 166 H N -0.022 119.032 119.070 -0.027 0.000 2.841 166 H HA -0.112 4.444 4.556 0.000 0.000 0.334 166 H C -2.442 172.731 175.328 -0.259 0.000 1.119 166 H CA 0.044 56.014 56.048 -0.130 0.000 1.109 166 H CB -1.706 27.972 29.762 -0.140 0.000 1.614 166 H HN 0.185 nan 8.280 nan 0.000 0.397 167 P HA 0.176 nan 4.420 nan 0.000 0.277 167 P C 0.636 177.933 177.300 -0.005 0.000 1.240 167 P CA -0.009 63.066 63.100 -0.042 0.000 0.798 167 P CB 1.170 32.964 31.700 0.156 0.000 0.979 168 K N 2.239 122.637 120.400 -0.002 0.000 2.314 168 K HA 0.155 4.476 4.320 0.000 0.000 0.198 168 K C 0.886 177.549 176.600 0.106 0.000 1.045 168 K CA 0.818 57.127 56.287 0.036 0.000 0.988 168 K CB -0.238 32.287 32.500 0.042 0.000 0.783 168 K HN 0.617 nan 8.250 nan 0.000 0.484 169 L N -0.573 120.710 121.223 0.101 0.000 2.513 169 L HA 0.620 4.960 4.340 0.000 0.000 0.261 169 L C -1.710 175.237 176.870 0.129 0.000 0.945 169 L CA -0.922 54.002 54.840 0.141 0.000 0.848 169 L CB 2.141 44.278 42.059 0.129 0.000 1.334 169 L HN 0.140 nan 8.230 nan 0.000 0.407 170 I N 4.938 125.598 120.570 0.151 0.000 2.404 170 I HA 0.436 4.606 4.170 0.000 0.000 0.293 170 I C -0.522 175.690 176.117 0.158 0.000 0.992 170 I CA -0.604 60.788 61.300 0.154 0.000 1.149 170 I CB 1.956 40.030 38.000 0.122 0.000 1.315 170 I HN 0.484 nan 8.210 nan 0.000 0.446 171 I N 5.377 126.041 120.570 0.157 0.000 2.336 171 I HA 0.460 4.630 4.170 0.000 0.000 0.292 171 I C 0.165 176.342 176.117 0.100 0.000 0.991 171 I CA -0.456 60.884 61.300 0.066 0.000 1.227 171 I CB 1.697 39.627 38.000 -0.117 0.000 1.366 171 I HN 0.580 nan 8.210 nan 0.000 0.466 172 A N 5.301 128.183 122.820 0.103 0.000 2.399 172 A HA 0.838 5.158 4.320 0.000 0.000 0.327 172 A C -0.032 177.645 177.584 0.155 0.000 1.367 172 A CA -0.382 51.763 52.037 0.179 0.000 0.842 172 A CB 0.530 19.715 19.000 0.309 0.000 1.142 172 A HN 0.920 nan 8.150 nan 0.000 0.495 173 G N 0.493 109.341 108.800 0.080 0.000 2.556 173 G HA2 0.658 4.618 3.960 0.000 0.000 0.294 173 G HA3 0.658 4.618 3.960 0.000 0.000 0.294 173 G C -0.769 174.239 174.900 0.180 0.000 1.516 173 G CA 0.236 45.424 45.100 0.147 0.000 0.824 173 G HN 1.466 nan 8.290 nan 0.000 0.535 174 T N -2.239 112.436 114.554 0.201 0.000 2.864 174 T HA 0.742 5.092 4.350 0.000 0.000 0.299 174 T C 0.373 175.134 174.700 0.101 0.000 1.166 174 T CA 0.093 62.276 62.100 0.139 0.000 1.007 174 T CB 1.874 70.781 68.868 0.064 0.000 1.219 174 T HN 0.599 nan 8.240 nan 0.000 0.506 175 S N -0.579 115.119 115.700 -0.004 0.000 2.520 175 S HA 0.296 4.766 4.470 0.000 0.000 0.219 175 S C 0.249 174.618 174.600 -0.385 0.000 1.028 175 S CA -0.152 57.941 58.200 -0.179 0.000 0.921 175 S CB 0.100 63.320 63.200 0.033 0.000 0.844 175 S HN 0.931 nan 8.310 nan 0.000 0.495 176 C N 1.821 121.018 119.300 -0.171 0.000 3.354 176 C HA 0.599 5.059 4.460 0.000 0.000 0.314 176 C C -1.835 173.161 174.990 0.010 0.000 1.019 176 C CA -0.489 58.447 59.018 -0.136 0.000 1.293 176 C CB -0.758 26.921 27.740 -0.102 0.000 1.747 176 C HN 0.455 nan 8.230 nan 0.000 0.580 177 Y N 3.148 123.345 120.300 -0.172 0.000 2.330 177 Y HA 0.379 4.929 4.550 0.000 0.000 0.324 177 Y C 0.836 176.649 175.900 -0.146 0.000 1.093 177 Y CA -0.217 57.797 58.100 -0.143 0.000 1.103 177 Y CB 1.908 40.306 38.460 -0.102 0.000 1.183 177 Y HN 0.439 nan 8.280 nan 0.000 0.433 178 S N 4.177 119.592 115.700 -0.476 0.000 2.469 178 S HA 0.023 4.493 4.470 0.000 0.000 0.238 178 S C 0.602 174.938 174.600 -0.441 0.000 0.998 178 S CA 0.786 58.740 58.200 -0.411 0.000 0.957 178 S CB -0.220 62.756 63.200 -0.373 0.000 0.764 178 S HN 0.408 nan 8.310 nan 0.000 0.514 179 R N 1.708 121.745 120.500 -0.772 0.000 2.828 179 R HA 0.392 4.732 4.340 0.000 0.000 0.264 179 R C -0.425 175.831 176.300 -0.074 0.000 1.022 179 R CA -0.800 55.024 56.100 -0.460 0.000 1.021 179 R CB 0.081 30.029 30.300 -0.587 0.000 1.163 179 R HN 0.092 nan 8.270 nan 0.000 0.494 180 N N 1.368 120.083 118.700 0.026 0.000 2.513 180 N HA 0.138 4.878 4.740 0.000 0.000 0.268 180 N C -0.181 175.395 175.510 0.110 0.000 1.180 180 N CA 0.016 53.117 53.050 0.085 0.000 0.948 180 N CB 0.693 39.222 38.487 0.071 0.000 1.083 180 N HN 0.260 nan 8.380 nan 0.000 0.455 181 L N 1.079 122.268 121.223 -0.057 0.000 2.349 181 L HA 0.131 4.471 4.340 0.000 0.000 0.275 181 L C 0.915 177.550 176.870 -0.392 0.000 1.115 181 L CA -0.586 54.137 54.840 -0.196 0.000 0.820 181 L CB 0.488 42.217 42.059 -0.549 0.000 1.135 181 L HN 0.355 nan 8.230 nan 0.000 0.445 182 D N 2.087 122.383 120.400 -0.174 0.000 2.498 182 D HA -0.011 4.629 4.640 0.000 0.000 0.229 182 D C 0.741 176.870 176.300 -0.284 0.000 1.188 182 D CA 0.023 53.844 54.000 -0.297 0.000 1.028 182 D CB 0.259 40.730 40.800 -0.547 0.000 1.087 182 D HN 0.307 nan 8.370 nan 0.000 0.510 183 Y N 1.270 121.499 120.300 -0.117 0.000 2.333 183 Y HA -0.042 4.509 4.550 0.000 0.000 0.290 183 Y C 2.462 178.117 175.900 -0.409 0.000 1.144 183 Y CA 1.088 59.088 58.100 -0.167 0.000 1.228 183 Y CB -0.371 38.039 38.460 -0.083 0.000 0.985 183 Y HN 0.428 nan 8.280 nan 0.000 0.542 184 G N -0.198 108.316 108.800 -0.477 0.000 2.433 184 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 184 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 184 G C 1.775 176.554 174.900 -0.202 0.000 1.186 184 G CA 0.927 45.725 45.100 -0.504 0.000 0.779 184 G HN 0.312 nan 8.290 nan 0.000 0.543 185 R N -0.155 120.223 120.500 -0.204 0.000 2.092 185 R HA 0.141 4.481 4.340 0.000 0.000 0.231 185 R C 2.555 178.824 176.300 -0.051 0.000 1.119 185 R CA 0.752 56.761 56.100 -0.151 0.000 0.970 185 R CB -0.350 29.773 30.300 -0.295 0.000 0.864 185 R HN 0.378 nan 8.270 nan 0.000 0.440 186 L N 0.192 121.407 121.223 -0.014 0.000 2.131 186 L HA -0.135 4.205 4.340 0.000 0.000 0.210 186 L C 2.704 179.618 176.870 0.074 0.000 1.092 186 L CA 0.900 55.776 54.840 0.061 0.000 0.759 186 L CB -0.365 41.761 42.059 0.111 0.000 0.903 186 L HN 0.155 nan 8.230 nan 0.000 0.435 187 R N 0.927 121.468 120.500 0.067 0.000 2.090 187 R HA -0.130 4.210 4.340 0.000 0.000 0.228 187 R C 2.447 178.797 176.300 0.085 0.000 1.110 187 R CA 1.695 57.860 56.100 0.108 0.000 0.973 187 R CB -0.247 30.130 30.300 0.127 0.000 0.869 187 R HN 0.311 nan 8.270 nan 0.000 0.440 188 K N 0.624 121.051 120.400 0.044 0.000 2.217 188 K HA 0.012 4.332 4.320 0.000 0.000 0.202 188 K C 2.126 178.745 176.600 0.032 0.000 1.051 188 K CA 1.325 57.632 56.287 0.034 0.000 0.952 188 K CB -0.507 31.997 32.500 0.008 0.000 0.736 188 K HN 0.262 nan 8.250 nan 0.000 0.453 189 I N 0.119 120.707 120.570 0.031 0.000 2.333 189 I HA -0.060 4.110 4.170 0.000 0.000 0.246 189 I C 2.994 179.134 176.117 0.038 0.000 1.106 189 I CA 0.847 62.161 61.300 0.025 0.000 1.411 189 I CB -0.118 37.887 38.000 0.009 0.000 1.082 189 I HN 0.347 nan 8.210 nan 0.000 0.420 190 A N 0.865 123.723 122.820 0.064 0.000 1.858 190 A HA -0.226 4.094 4.320 0.000 0.000 0.216 190 A C 1.986 179.606 177.584 0.061 0.000 1.190 190 A CA 2.006 54.092 52.037 0.081 0.000 0.617 190 A CB -0.612 18.479 19.000 0.152 0.000 0.827 190 A HN 0.309 nan 8.150 nan 0.000 0.443 191 D N -0.689 119.758 120.400 0.078 0.000 2.117 191 D HA -0.173 4.467 4.640 0.000 0.000 0.197 191 D C 1.857 178.172 176.300 0.025 0.000 0.987 191 D CA 1.504 55.536 54.000 0.054 0.000 0.829 191 D CB -0.434 40.409 40.800 0.071 0.000 0.961 191 D HN 0.753 nan 8.370 nan 0.000 0.460 192 E N 0.325 120.541 120.200 0.028 0.000 2.267 192 E HA -0.160 4.190 4.350 0.000 0.000 0.197 192 E C 1.139 177.752 176.600 0.021 0.000 0.998 192 E CA 0.869 57.281 56.400 0.020 0.000 0.830 192 E CB 0.144 29.855 29.700 0.019 0.000 0.751 192 E HN 0.190 nan 8.360 nan 0.000 0.491 193 N N -0.748 117.965 118.700 0.022 0.000 2.205 193 N HA 0.056 4.796 4.740 0.000 0.000 0.201 193 N C 0.425 175.936 175.510 0.002 0.000 1.128 193 N CA 0.703 53.771 53.050 0.031 0.000 0.867 193 N CB 1.396 39.907 38.487 0.041 0.000 0.996 193 N HN 0.243 nan 8.380 nan 0.000 0.503 194 G N 1.263 110.043 108.800 -0.032 0.000 2.256 194 G HA2 -0.192 3.768 3.960 0.000 0.000 0.272 194 G HA3 -0.192 3.768 3.960 0.000 0.000 0.272 194 G C -0.007 174.795 174.900 -0.162 0.000 1.076 194 G CA 0.439 45.480 45.100 -0.098 0.000 0.882 194 G HN 0.555 nan 8.290 nan 0.000 0.497 195 A N -0.852 121.890 122.820 -0.130 0.000 2.346 195 A HA 0.901 5.221 4.320 0.000 0.000 0.313 195 A C -0.529 176.931 177.584 -0.207 0.000 1.140 195 A CA -0.894 51.068 52.037 -0.125 0.000 0.826 195 A CB 1.079 20.085 19.000 0.010 0.000 1.332 195 A HN 0.616 nan 8.150 nan 0.000 0.457 196 Y N -0.382 119.862 120.300 -0.093 0.000 2.323 196 Y HA 0.476 5.026 4.550 0.000 0.000 0.331 196 Y C 0.042 175.991 175.900 0.081 0.000 1.092 196 Y CA -0.259 57.717 58.100 -0.206 0.000 1.150 196 Y CB 1.568 39.921 38.460 -0.179 0.000 1.200 196 Y HN 0.518 nan 8.280 nan 0.000 0.472 197 L N 5.692 127.227 121.223 0.520 0.000 2.255 197 L HA 0.458 4.798 4.340 0.000 0.000 0.289 197 L C -0.638 176.440 176.870 0.347 0.000 1.046 197 L CA -0.428 54.648 54.840 0.393 0.000 0.816 197 L CB 0.445 42.714 42.059 0.350 0.000 1.197 197 L HN 0.724 nan 8.230 nan 0.000 0.427 198 M N 5.373 125.107 119.600 0.224 0.000 2.227 198 M HA 0.744 5.224 4.480 0.000 0.000 0.335 198 M C -0.940 175.416 176.300 0.093 0.000 1.053 198 M CA -0.451 54.937 55.300 0.147 0.000 0.973 198 M CB 1.399 34.076 32.600 0.129 0.000 1.623 198 M HN 0.738 nan 8.290 nan 0.000 0.434 199 A N 3.437 126.264 122.820 0.012 0.000 2.292 199 A HA 0.471 4.791 4.320 0.000 0.000 0.319 199 A C -1.101 176.460 177.584 -0.039 0.000 1.206 199 A CA -0.552 51.474 52.037 -0.019 0.000 0.835 199 A CB 0.710 19.587 19.000 -0.204 0.000 1.164 199 A HN 0.785 nan 8.150 nan 0.000 0.505 200 D N 3.143 123.559 120.400 0.027 0.000 2.477 200 D HA 0.272 4.913 4.640 0.000 0.000 0.239 200 D C 0.586 176.930 176.300 0.073 0.000 1.102 200 D CA -0.394 53.641 54.000 0.057 0.000 0.901 200 D CB 0.462 41.365 40.800 0.172 0.000 1.026 200 D HN 0.509 nan 8.370 nan 0.000 0.515 201 M N 1.417 121.015 119.600 -0.003 0.000 2.571 201 M HA 0.405 4.885 4.480 0.000 0.000 0.235 201 M C 1.264 177.588 176.300 0.040 0.000 1.216 201 M CA -0.408 54.904 55.300 0.021 0.000 0.979 201 M CB 0.682 33.225 32.600 -0.094 0.000 1.616 201 M HN 0.120 nan 8.290 nan 0.000 0.469 202 A N 0.958 123.800 122.820 0.037 0.000 1.896 202 A HA -0.253 4.067 4.320 0.000 0.000 0.220 202 A C 1.790 179.345 177.584 -0.049 0.000 1.206 202 A CA 2.475 54.495 52.037 -0.029 0.000 0.647 202 A CB -1.251 17.709 19.000 -0.068 0.000 0.828 202 A HN 0.747 nan 8.150 nan 0.000 0.455 203 H N -0.461 118.615 119.070 0.010 0.000 2.389 203 H HA 0.014 4.571 4.556 0.000 0.000 0.299 203 H C 1.740 177.004 175.328 -0.107 0.000 1.081 203 H CA 1.747 57.807 56.048 0.019 0.000 1.345 203 H CB -0.112 29.768 29.762 0.197 0.000 1.393 203 H HN 0.678 nan 8.280 nan 0.000 0.520 204 I N -1.076 119.555 120.570 0.103 0.000 3.928 204 I HA 0.157 4.328 4.170 0.000 0.000 0.335 204 I C 1.834 177.989 176.117 0.064 0.000 1.325 204 I CA 0.323 61.651 61.300 0.047 0.000 1.107 204 I CB 0.242 38.335 38.000 0.155 0.000 1.014 204 I HN 0.085 nan 8.210 nan 0.000 0.400 205 S N 1.693 117.434 115.700 0.069 0.000 2.370 205 S HA -0.132 4.338 4.470 0.000 0.000 0.226 205 S C 2.057 176.805 174.600 0.248 0.000 1.033 205 S CA 1.353 59.654 58.200 0.168 0.000 1.011 205 S CB -1.447 61.845 63.200 0.154 0.000 0.852 205 S HN 0.559 nan 8.310 nan 0.000 0.457 206 G N 2.142 111.050 108.800 0.180 0.000 2.433 206 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 206 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 206 G C 1.445 176.470 174.900 0.207 0.000 1.186 206 G CA 1.052 46.328 45.100 0.294 0.000 0.779 206 G HN 0.515 nan 8.290 nan 0.000 0.543 207 L N 0.327 121.586 121.223 0.060 0.000 2.127 207 L HA -0.101 4.239 4.340 0.000 0.000 0.211 207 L C 2.920 179.848 176.870 0.095 0.000 1.089 207 L CA 0.591 55.449 54.840 0.031 0.000 0.757 207 L CB -0.458 41.608 42.059 0.010 0.000 0.899 207 L HN 0.096 nan 8.230 nan 0.000 0.434 208 V N -1.413 118.595 119.914 0.158 0.000 2.548 208 V HA -0.182 3.938 4.120 0.000 0.000 0.249 208 V C 2.311 178.512 176.094 0.178 0.000 1.055 208 V CA 1.124 63.543 62.300 0.199 0.000 1.065 208 V CB 0.001 31.984 31.823 0.267 0.000 0.681 208 V HN 0.213 nan 8.190 nan 0.000 0.462 209 V N 0.391 120.377 119.914 0.119 0.000 2.427 209 V HA -0.191 3.929 4.120 0.000 0.000 0.248 209 V C 2.607 178.690 176.094 -0.018 0.000 1.051 209 V CA 1.938 64.143 62.300 -0.159 0.000 1.048 209 V CB -0.815 30.854 31.823 -0.258 0.000 0.666 209 V HN 0.560 nan 8.190 nan 0.000 0.456 210 A N -0.805 122.073 122.820 0.097 0.000 2.067 210 A HA 0.306 4.626 4.320 0.000 0.000 0.217 210 A C 2.041 179.646 177.584 0.036 0.000 1.156 210 A CA 1.354 53.438 52.037 0.079 0.000 0.683 210 A CB -0.392 18.642 19.000 0.056 0.000 0.808 210 A HN 1.234 nan 8.150 nan 0.000 0.455 211 G N -2.140 106.684 108.800 0.040 0.000 2.159 211 G HA2 -0.250 3.710 3.960 0.000 0.000 0.227 211 G HA3 -0.250 3.710 3.960 0.000 0.000 0.227 211 G C 0.877 175.798 174.900 0.035 0.000 0.986 211 G CA 0.503 45.625 45.100 0.036 0.000 0.651 211 G HN 0.675 nan 8.290 nan 0.000 0.523 212 V N 0.102 120.034 119.914 0.030 0.000 2.270 212 V HA 0.096 4.216 4.120 0.000 0.000 0.245 212 V C 2.010 178.127 176.094 0.039 0.000 1.043 212 V CA 1.981 64.292 62.300 0.018 0.000 1.014 212 V CB -0.670 31.147 31.823 -0.010 0.000 0.645 212 V HN 1.277 nan 8.190 nan 0.000 0.447 213 V N -2.657 117.296 119.914 0.065 0.000 2.975 213 V HA 0.632 4.752 4.120 0.000 0.000 0.318 213 V C -2.751 173.411 176.094 0.113 0.000 1.077 213 V CA -2.550 59.805 62.300 0.091 0.000 1.000 213 V CB 0.978 32.870 31.823 0.114 0.000 1.066 213 V HN 0.178 nan 8.190 nan 0.000 0.452 214 P HA 0.252 nan 4.420 nan 0.000 0.271 214 P C -0.350 177.055 177.300 0.176 0.000 1.218 214 P CA 0.108 63.302 63.100 0.157 0.000 0.780 214 P CB 0.704 32.512 31.700 0.181 0.000 0.901 215 S N 2.990 118.767 115.700 0.129 0.000 2.531 215 S HA 0.162 4.632 4.470 0.000 0.000 0.279 215 S C -1.113 173.447 174.600 -0.066 0.000 1.305 215 S CA -1.227 57.019 58.200 0.076 0.000 1.058 215 S CB -0.081 63.184 63.200 0.107 0.000 0.899 215 S HN 0.346 nan 8.310 nan 0.000 0.493 216 P HA 0.000 nan 4.420 nan 0.000 0.224 216 P C 1.031 178.010 177.300 -0.535 0.000 1.157 216 P CA 0.778 63.328 63.100 -0.916 0.000 0.799 216 P CB -0.061 30.944 31.700 -1.158 0.000 0.809 217 F N 1.266 120.990 119.950 -0.376 0.000 2.346 217 F HA -0.126 4.401 4.527 0.000 0.000 0.301 217 F C 2.422 178.182 175.800 -0.067 0.000 1.070 217 F CA 1.290 59.089 58.000 -0.336 0.000 1.407 217 F CB -0.885 37.739 39.000 -0.626 0.000 1.072 217 F HN 0.043 nan 8.300 nan 0.000 0.543 218 E N -1.204 119.004 120.200 0.013 0.000 2.358 218 E HA -0.140 4.210 4.350 0.000 0.000 0.195 218 E C 1.099 177.440 176.600 -0.431 0.000 1.010 218 E CA 0.987 57.280 56.400 -0.177 0.000 0.856 218 E CB 0.050 29.570 29.700 -0.299 0.000 0.795 218 E HN 0.552 nan 8.360 nan 0.000 0.504 219 H N -2.469 116.617 119.070 0.027 0.000 3.400 219 H HA 0.265 4.821 4.556 0.000 0.000 0.251 219 H C 0.096 175.390 175.328 -0.057 0.000 1.040 219 H CA -0.319 55.733 56.048 0.007 0.000 1.175 219 H CB 0.437 30.234 29.762 0.059 0.000 1.487 219 H HN 0.032 nan 8.280 nan 0.000 0.505 220 C N 1.307 120.647 119.300 0.066 0.000 2.534 220 C HA 0.126 4.587 4.460 0.000 0.000 0.385 220 C C 1.372 176.399 174.990 0.062 0.000 1.264 220 C CA -0.190 58.858 59.018 0.052 0.000 2.342 220 C CB 0.691 28.425 27.740 -0.010 0.000 2.564 220 C HN 0.632 nan 8.230 nan 0.000 0.603 221 H N -0.409 118.763 119.070 0.170 0.000 2.497 221 H HA 0.279 4.835 4.556 0.000 0.000 0.282 221 H C 0.161 175.556 175.328 0.111 0.000 1.003 221 H CA 0.640 56.736 56.048 0.080 0.000 1.307 221 H CB 0.045 29.942 29.762 0.226 0.000 1.437 221 H HN 0.405 nan 8.280 nan 0.000 0.544 222 V N 0.255 120.350 119.914 0.301 0.000 2.971 222 V HA 0.460 4.580 4.120 0.000 0.000 0.309 222 V C -0.984 175.184 176.094 0.124 0.000 1.130 222 V CA -1.078 61.377 62.300 0.258 0.000 0.964 222 V CB 2.904 34.807 31.823 0.133 0.000 1.029 222 V HN -0.152 nan 8.190 nan 0.000 0.427 223 V N 1.873 121.837 119.914 0.084 0.000 2.612 223 V HA 0.675 4.795 4.120 0.000 0.000 0.301 223 V C 0.038 176.150 176.094 0.030 0.000 1.059 223 V CA -0.317 61.902 62.300 -0.136 0.000 0.886 223 V CB 2.128 33.547 31.823 -0.674 0.000 1.007 223 V HN 1.112 nan 8.190 nan 0.000 0.426 224 T N 0.271 114.823 114.554 -0.003 0.000 2.952 224 T HA 0.889 5.239 4.350 0.000 0.000 0.286 224 T C -0.278 174.432 174.700 0.017 0.000 1.024 224 T CA -0.703 61.415 62.100 0.029 0.000 1.029 224 T CB 2.228 71.092 68.868 -0.008 0.000 1.094 224 T HN 0.891 nan 8.240 nan 0.000 0.515 225 T N 0.366 114.935 114.554 0.026 0.000 2.831 225 T HA 0.528 4.878 4.350 0.000 0.000 0.333 225 T C -0.693 174.003 174.700 -0.006 0.000 1.684 225 T CA -0.373 61.732 62.100 0.008 0.000 1.049 225 T CB 1.150 70.040 68.868 0.038 0.000 1.518 225 T HN 1.195 nan 8.240 nan 0.000 0.491 226 T N 0.426 114.937 114.554 -0.071 0.000 2.899 226 T HA 0.467 4.817 4.350 0.000 0.000 0.284 226 T C 1.310 175.979 174.700 -0.053 0.000 1.004 226 T CA 0.121 62.151 62.100 -0.117 0.000 1.043 226 T CB 0.977 69.543 68.868 -0.504 0.000 1.013 226 T HN 0.847 nan 8.240 nan 0.000 0.518 227 T N -2.040 112.554 114.554 0.068 0.000 3.186 227 T HA 0.127 4.477 4.350 0.000 0.000 0.257 227 T C 0.841 175.628 174.700 0.145 0.000 1.029 227 T CA -0.160 62.003 62.100 0.105 0.000 0.916 227 T CB -0.581 68.355 68.868 0.112 0.000 1.041 227 T HN 0.980 nan 8.240 nan 0.000 0.562 228 H N -1.186 117.900 119.070 0.027 0.000 3.182 228 H HA 0.464 5.020 4.556 0.000 0.000 0.254 228 H C 0.810 176.133 175.328 -0.008 0.000 1.197 228 H CA -0.598 55.462 56.048 0.019 0.000 1.061 228 H CB 0.067 29.836 29.762 0.012 0.000 1.722 228 H HN 0.212 nan 8.280 nan 0.000 0.662 229 K N 1.130 121.385 120.400 -0.241 0.000 2.141 229 K HA 0.041 4.361 4.320 0.000 0.000 0.202 229 K C 1.220 177.765 176.600 -0.092 0.000 1.045 229 K CA 1.630 57.791 56.287 -0.209 0.000 0.971 229 K CB 0.529 32.779 32.500 -0.417 0.000 0.795 229 K HN 0.300 nan 8.250 nan 0.000 0.459 230 T N -2.004 112.518 114.554 -0.053 0.000 3.087 230 T HA 0.143 4.493 4.350 0.000 0.000 0.283 230 T C 1.059 175.896 174.700 0.228 0.000 0.956 230 T CA -0.353 61.761 62.100 0.023 0.000 0.894 230 T CB 0.292 69.064 68.868 -0.160 0.000 1.160 230 T HN -0.095 nan 8.240 nan 0.000 0.532 231 L N 1.608 122.954 121.223 0.205 0.000 2.529 231 L HA 0.548 4.888 4.340 0.000 0.000 0.223 231 L C 1.362 178.396 176.870 0.274 0.000 1.113 231 L CA 0.697 55.703 54.840 0.278 0.000 0.861 231 L CB -1.018 41.130 42.059 0.148 0.000 1.012 231 L HN 0.463 nan 8.230 nan 0.000 0.461 232 R N -0.762 119.872 120.500 0.224 0.000 3.641 232 R HA -0.171 4.169 4.340 0.000 0.000 0.286 232 R C 0.660 177.045 176.300 0.141 0.000 1.153 232 R CA 0.488 56.700 56.100 0.187 0.000 0.775 232 R CB -1.604 28.840 30.300 0.240 0.000 1.215 232 R HN 0.550 nan 8.270 nan 0.000 0.474 233 G N -0.588 108.293 108.800 0.135 0.000 2.782 233 G HA2 0.490 4.450 3.960 0.000 0.000 0.201 233 G HA3 0.490 4.450 3.960 0.000 0.000 0.201 233 G C 0.393 175.359 174.900 0.110 0.000 1.374 233 G CA -0.143 45.019 45.100 0.103 0.000 1.039 233 G HN 0.478 nan 8.290 nan 0.000 0.576 234 C N -1.988 117.360 119.300 0.079 0.000 2.328 234 C HA 0.767 5.227 4.460 0.000 0.000 0.378 234 C C 0.505 175.503 174.990 0.013 0.000 1.249 234 C CA -1.319 57.722 59.018 0.038 0.000 2.204 234 C CB 0.381 28.138 27.740 0.029 0.000 2.218 234 C HN 0.620 nan 8.230 nan 0.000 0.564 235 R N 1.168 121.591 120.500 -0.129 0.000 2.296 235 R HA 0.567 4.907 4.340 0.000 0.000 0.323 235 R C 0.120 176.412 176.300 -0.013 0.000 1.067 235 R CA 0.733 56.669 56.100 -0.273 0.000 0.946 235 R CB 0.278 30.326 30.300 -0.421 0.000 0.991 235 R HN 1.031 nan 8.270 nan 0.000 0.448 236 A N 1.629 124.526 122.820 0.129 0.000 2.511 236 A HA 0.783 5.103 4.320 0.000 0.000 0.293 236 A C -1.194 176.471 177.584 0.136 0.000 1.098 236 A CA -0.400 51.702 52.037 0.108 0.000 0.643 236 A CB 1.451 20.487 19.000 0.061 0.000 1.302 236 A HN 0.687 nan 8.150 nan 0.000 0.446 237 G N -0.797 108.039 108.800 0.060 0.000 2.660 237 G HA2 0.690 4.650 3.960 0.000 0.000 0.294 237 G HA3 0.690 4.650 3.960 0.000 0.000 0.294 237 G C -1.023 173.861 174.900 -0.027 0.000 1.369 237 G CA -0.635 44.483 45.100 0.029 0.000 0.912 237 G HN 0.787 nan 8.290 nan 0.000 0.479 238 M N 0.290 119.860 119.600 -0.050 0.000 2.550 238 M HA 0.566 5.046 4.480 0.000 0.000 0.292 238 M C -1.212 175.014 176.300 -0.124 0.000 1.221 238 M CA -0.651 54.563 55.300 -0.143 0.000 0.873 238 M CB 3.026 35.455 32.600 -0.285 0.000 1.727 238 M HN 0.239 nan 8.290 nan 0.000 0.459 239 I N 1.648 122.125 120.570 -0.154 0.000 2.447 239 I HA 0.445 4.615 4.170 0.000 0.000 0.287 239 I C -1.421 174.648 176.117 -0.080 0.000 1.023 239 I CA -0.327 60.956 61.300 -0.028 0.000 1.083 239 I CB 1.421 39.457 38.000 0.059 0.000 1.245 239 I HN 0.502 nan 8.210 nan 0.000 0.434 240 F N 6.430 126.388 119.950 0.014 0.000 2.408 240 F HA 0.512 5.040 4.527 0.000 0.000 0.344 240 F C -0.222 175.694 175.800 0.194 0.000 1.112 240 F CA -0.466 57.531 58.000 -0.004 0.000 1.096 240 F CB 1.101 40.146 39.000 0.074 0.000 1.129 240 F HN 0.298 nan 8.300 nan 0.000 0.486 241 Y N 0.178 120.806 120.300 0.547 0.000 2.524 241 Y HA 0.641 5.191 4.550 0.000 0.000 0.347 241 Y C -0.496 175.437 175.900 0.054 0.000 1.005 241 Y CA -1.923 56.355 58.100 0.295 0.000 1.025 241 Y CB 0.785 39.282 38.460 0.062 0.000 1.275 241 Y HN 0.349 nan 8.280 nan 0.000 0.460 242 R N 2.579 122.894 120.500 -0.308 0.000 2.543 242 R HA 0.399 4.739 4.340 0.000 0.000 0.277 242 R C -0.520 175.509 176.300 -0.451 0.000 1.074 242 R CA -0.377 55.172 56.100 -0.918 0.000 1.076 242 R CB 0.800 30.250 30.300 -1.417 0.000 0.993 242 R HN 1.062 nan 8.270 nan 0.000 0.459 243 R N -0.071 120.229 120.500 -0.334 0.000 2.548 243 R HA 0.668 5.008 4.340 0.000 0.000 0.280 243 R C -0.885 175.435 176.300 0.034 0.000 1.061 243 R CA -0.867 55.222 56.100 -0.017 0.000 0.915 243 R CB 1.974 32.328 30.300 0.089 0.000 1.210 243 R HN 0.746 nan 8.270 nan 0.000 0.442 244 G N 0.192 109.092 108.800 0.167 0.000 2.306 244 G HA2 0.364 4.325 3.960 0.000 0.000 0.340 244 G HA3 0.364 4.325 3.960 0.000 0.000 0.340 244 G C -0.133 174.848 174.900 0.135 0.000 1.630 244 G CA -0.216 44.957 45.100 0.123 0.000 0.937 244 G HN 0.842 nan 8.290 nan 0.000 0.693 245 K N -0.070 120.319 120.400 -0.020 0.000 2.634 245 K HA 0.129 4.449 4.320 0.000 0.000 0.113 245 K C 0.789 177.373 176.600 -0.026 0.000 1.210 245 K CA 2.933 59.208 56.287 -0.020 0.000 0.811 245 K CB -0.984 31.504 32.500 -0.020 0.000 0.455 245 K HN 2.444 nan 8.250 nan 0.000 1.072 246 E N -2.718 117.465 120.200 -0.030 0.000 2.278 246 E HA 0.655 5.005 4.350 0.000 0.000 0.272 246 E C -0.399 176.172 176.600 -0.049 0.000 0.890 246 E CA -0.333 56.043 56.400 -0.040 0.000 0.770 246 E CB 1.234 30.913 29.700 -0.034 0.000 1.212 246 E HN 1.315 nan 8.360 nan 0.000 0.415 247 I N 3.408 123.936 120.570 -0.070 0.000 2.331 247 I HA 0.540 4.710 4.170 0.000 0.000 0.292 247 I C -0.124 175.917 176.117 -0.126 0.000 0.998 247 I CA -0.856 60.393 61.300 -0.085 0.000 1.267 247 I CB 0.247 38.193 38.000 -0.089 0.000 1.386 247 I HN 0.582 nan 8.210 nan 0.000 0.476 248 L N 4.631 125.798 121.223 -0.094 0.000 2.454 248 L HA 0.567 4.908 4.340 0.000 0.000 0.256 248 L C 0.026 176.832 176.870 -0.107 0.000 1.136 248 L CA -0.507 54.280 54.840 -0.088 0.000 0.804 248 L CB 0.221 42.275 42.059 -0.010 0.000 1.181 248 L HN 0.678 nan 8.230 nan 0.000 0.469 249 Y N 0.194 120.496 120.300 0.003 0.000 2.314 249 Y HA 0.177 4.727 4.550 0.000 0.000 0.334 249 Y C 0.419 176.319 175.900 0.001 0.000 1.266 249 Y CA 0.130 58.242 58.100 0.021 0.000 1.391 249 Y CB 0.538 39.009 38.460 0.019 0.000 1.306 249 Y HN 0.517 nan 8.280 nan 0.000 0.558 250 N N -0.490 118.321 118.700 0.184 0.000 2.258 250 N HA 0.278 5.018 4.740 0.000 0.000 0.299 250 N C -0.022 175.486 175.510 -0.002 0.000 1.047 250 N CA 0.533 53.619 53.050 0.060 0.000 0.814 250 N CB 1.095 39.605 38.487 0.038 0.000 1.413 250 N HN 0.771 nan 8.380 nan 0.000 0.478 251 S N 1.792 117.321 115.700 -0.285 0.000 2.194 251 S HA -0.273 4.197 4.470 0.000 0.000 0.225 251 S C 0.800 175.285 174.600 -0.192 0.000 1.176 251 S CA 1.330 59.402 58.200 -0.213 0.000 1.694 251 S CB -1.584 61.540 63.200 -0.127 0.000 2.249 251 S HN 0.586 nan 8.310 nan 0.000 0.601 252 L N 2.324 123.435 121.223 -0.187 0.000 2.737 252 L HA 0.106 4.446 4.340 0.000 0.000 0.246 252 L C 1.761 178.530 176.870 -0.169 0.000 1.153 252 L CA 0.572 55.322 54.840 -0.149 0.000 0.920 252 L CB -1.135 40.844 42.059 -0.133 0.000 1.090 252 L HN 0.356 nan 8.230 nan 0.000 0.430 253 N N -0.118 118.437 118.700 -0.241 0.000 1.588 253 N HA -0.361 4.379 4.740 0.000 0.000 0.139 253 N C 1.761 177.268 175.510 -0.006 0.000 0.405 253 N CA 2.226 55.174 53.050 -0.170 0.000 1.221 253 N CB -0.844 37.361 38.487 -0.470 0.000 0.650 253 N HN 0.314 nan 8.380 nan 0.000 1.343 254 S N -0.214 115.447 115.700 -0.065 0.000 2.399 254 S HA 0.050 4.520 4.470 0.000 0.000 0.231 254 S C 1.965 176.545 174.600 -0.033 0.000 1.022 254 S CA 1.121 59.303 58.200 -0.029 0.000 0.983 254 S CB -0.227 62.936 63.200 -0.062 0.000 0.803 254 S HN 0.674 nan 8.310 nan 0.000 0.480 255 A N 0.855 123.651 122.820 -0.039 0.000 1.930 255 A HA -0.020 4.300 4.320 0.000 0.000 0.217 255 A C 2.276 179.862 177.584 0.003 0.000 1.175 255 A CA 1.291 53.310 52.037 -0.031 0.000 0.627 255 A CB -0.715 18.255 19.000 -0.051 0.000 0.815 255 A HN 0.354 nan 8.150 nan 0.000 0.443 256 V N -2.458 117.480 119.914 0.041 0.000 2.358 256 V HA 0.034 4.154 4.120 0.000 0.000 0.246 256 V C 0.754 176.926 176.094 0.130 0.000 1.047 256 V CA 1.707 64.048 62.300 0.068 0.000 1.035 256 V CB -0.597 31.288 31.823 0.103 0.000 0.658 256 V HN 0.531 nan 8.190 nan 0.000 0.452 257 F N 0.401 120.370 119.950 0.031 0.000 2.639 257 F HA 0.475 5.002 4.527 0.000 0.000 0.320 257 F C -2.542 173.285 175.800 0.045 0.000 1.128 257 F CA -1.715 56.276 58.000 -0.015 0.000 1.037 257 F CB 1.908 40.821 39.000 -0.145 0.000 1.288 257 F HN -0.164 nan 8.300 nan 0.000 0.463 258 P HA 0.162 nan 4.420 nan 0.000 0.255 258 P C 0.889 177.862 177.300 -0.544 0.000 1.357 258 P CA 0.668 62.841 63.100 -1.546 0.000 0.839 258 P CB 0.236 31.194 31.700 -1.236 0.000 1.356 259 G N 0.956 109.589 108.800 -0.278 0.000 2.453 259 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 259 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 259 G C 1.343 176.211 174.900 -0.053 0.000 1.201 259 G CA 0.603 45.629 45.100 -0.124 0.000 0.784 259 G HN 0.273 nan 8.290 nan 0.000 0.545 260 L N -0.974 120.247 121.223 -0.004 0.000 2.445 260 L HA 0.280 4.620 4.340 0.000 0.000 0.207 260 L C 1.522 178.433 176.870 0.068 0.000 1.053 260 L CA 0.085 54.952 54.840 0.046 0.000 0.841 260 L CB 0.047 42.157 42.059 0.086 0.000 1.074 260 L HN 0.181 nan 8.230 nan 0.000 0.479 261 Q N -0.804 119.039 119.800 0.070 0.000 2.180 261 Q HA 0.366 4.706 4.340 0.000 0.000 0.241 261 Q C 0.153 176.319 176.000 0.276 0.000 0.970 261 Q CA -0.019 55.842 55.803 0.097 0.000 0.919 261 Q CB 1.606 30.207 28.738 -0.228 0.000 1.222 261 Q HN 0.176 nan 8.270 nan 0.000 0.482 262 G N -0.333 108.655 108.800 0.314 0.000 3.434 262 G HA2 0.436 4.396 3.960 0.000 0.000 0.192 262 G HA3 0.436 4.396 3.960 0.000 0.000 0.192 262 G C -0.285 174.746 174.900 0.218 0.000 1.704 262 G CA -0.138 45.170 45.100 0.345 0.000 0.936 262 G HN 0.584 nan 8.290 nan 0.000 0.623 263 G N 1.203 110.177 108.800 0.289 0.000 2.372 263 G HA2 0.547 4.507 3.960 0.000 0.000 0.283 263 G HA3 0.547 4.507 3.960 0.000 0.000 0.283 263 G C -2.281 172.659 174.900 0.066 0.000 1.177 263 G CA -0.685 44.475 45.100 0.101 0.000 0.842 263 G HN 0.370 nan 8.290 nan 0.000 0.503 264 P HA 0.035 nan 4.420 nan 0.000 0.268 264 P C -0.779 176.617 177.300 0.161 0.000 1.208 264 P CA -0.090 63.003 63.100 -0.013 0.000 0.777 264 P CB 0.652 32.268 31.700 -0.141 0.000 0.875 265 H N 2.149 121.239 119.070 0.033 0.000 2.872 265 H HA 0.181 4.737 4.556 0.000 0.000 0.273 265 H C 1.393 176.569 175.328 -0.253 0.000 1.205 265 H CA -0.264 55.697 56.048 -0.146 0.000 1.342 265 H CB -0.507 29.095 29.762 -0.268 0.000 1.469 265 H HN 0.342 nan 8.280 nan 0.000 0.487 266 N N 1.702 120.415 118.700 0.022 0.000 2.166 266 N HA -0.159 4.581 4.740 0.000 0.000 0.186 266 N C 1.846 177.357 175.510 0.003 0.000 1.019 266 N CA 0.972 54.032 53.050 0.016 0.000 0.856 266 N CB -0.004 38.518 38.487 0.058 0.000 0.993 266 N HN 0.722 nan 8.380 nan 0.000 0.426 267 H N 0.214 119.289 119.070 0.008 0.000 2.353 267 H HA 0.105 4.661 4.556 0.000 0.000 0.300 267 H C 1.912 177.251 175.328 0.020 0.000 1.090 267 H CA 1.336 57.384 56.048 -0.001 0.000 1.327 267 H CB -0.726 29.021 29.762 -0.026 0.000 1.383 267 H HN 0.122 nan 8.280 nan 0.000 0.508 268 A N 2.178 124.695 122.820 -0.506 0.000 1.877 268 A HA -0.069 4.251 4.320 0.000 0.000 0.216 268 A C 2.788 180.316 177.584 -0.092 0.000 1.186 268 A CA 1.623 53.521 52.037 -0.232 0.000 0.620 268 A CB -0.909 17.954 19.000 -0.228 0.000 0.822 268 A HN 0.374 nan 8.150 nan 0.000 0.443 269 I N -0.206 120.311 120.570 -0.090 0.000 2.361 269 I HA -0.290 3.880 4.170 0.000 0.000 0.251 269 I C 2.923 179.027 176.117 -0.020 0.000 1.133 269 I CA 0.908 62.182 61.300 -0.043 0.000 1.413 269 I CB -0.465 37.512 38.000 -0.039 0.000 1.073 269 I HN 0.385 nan 8.210 nan 0.000 0.424 270 A N 1.331 124.145 122.820 -0.009 0.000 1.845 270 A HA -0.142 4.178 4.320 0.000 0.000 0.215 270 A C 2.503 180.090 177.584 0.004 0.000 1.195 270 A CA 1.998 54.039 52.037 0.007 0.000 0.616 270 A CB -1.531 17.485 19.000 0.027 0.000 0.832 270 A HN 0.429 nan 8.150 nan 0.000 0.443 271 G N -0.538 108.268 108.800 0.010 0.000 2.469 271 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 271 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 271 G C 1.511 176.415 174.900 0.007 0.000 1.150 271 G CA 1.468 46.576 45.100 0.014 0.000 0.763 271 G HN 0.365 nan 8.290 nan 0.000 0.561 272 V N 1.501 121.417 119.914 0.003 0.000 2.343 272 V HA -0.131 3.989 4.120 0.000 0.000 0.247 272 V C 3.317 179.406 176.094 -0.009 0.000 1.051 272 V CA 1.993 64.296 62.300 0.005 0.000 1.036 272 V CB -0.934 30.891 31.823 0.003 0.000 0.654 272 V HN 0.496 nan 8.190 nan 0.000 0.451 273 A N -0.188 122.625 122.820 -0.012 0.000 1.902 273 A HA -0.160 4.160 4.320 0.000 0.000 0.217 273 A C 2.415 179.983 177.584 -0.026 0.000 1.181 273 A CA 2.090 54.116 52.037 -0.018 0.000 0.623 273 A CB -0.692 18.301 19.000 -0.012 0.000 0.818 273 A HN 0.331 nan 8.150 nan 0.000 0.443 274 V N -0.190 119.713 119.914 -0.019 0.000 2.295 274 V HA -0.258 3.862 4.120 0.000 0.000 0.246 274 V C 3.058 179.128 176.094 -0.039 0.000 1.049 274 V CA 2.020 64.306 62.300 -0.023 0.000 1.024 274 V CB -1.182 30.634 31.823 -0.011 0.000 0.648 274 V HN 0.617 nan 8.190 nan 0.000 0.447 275 A N -0.663 122.137 122.820 -0.034 0.000 1.972 275 A HA -0.120 4.200 4.320 0.000 0.000 0.219 275 A C 2.194 179.700 177.584 -0.130 0.000 1.169 275 A CA 1.558 53.562 52.037 -0.056 0.000 0.635 275 A CB -0.460 18.531 19.000 -0.016 0.000 0.810 275 A HN 0.521 nan 8.150 nan 0.000 0.446 276 L N -0.902 120.259 121.223 -0.104 0.000 2.156 276 L HA -0.122 4.218 4.340 0.000 0.000 0.208 276 L C 2.589 179.359 176.870 -0.166 0.000 1.095 276 L CA 1.613 56.367 54.840 -0.144 0.000 0.770 276 L CB -0.349 41.665 42.059 -0.075 0.000 0.914 276 L HN 0.469 nan 8.230 nan 0.000 0.439 277 K N 0.255 120.588 120.400 -0.112 0.000 2.057 277 K HA -0.198 4.122 4.320 0.000 0.000 0.206 277 K C 2.031 178.561 176.600 -0.117 0.000 1.050 277 K CA 1.310 57.539 56.287 -0.097 0.000 0.935 277 K CB 0.051 32.516 32.500 -0.059 0.000 0.715 277 K HN 0.368 nan 8.250 nan 0.000 0.439 278 Q N -0.382 119.343 119.800 -0.124 0.000 2.224 278 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 278 Q C 1.945 177.809 176.000 -0.226 0.000 0.970 278 Q CA 1.137 56.876 55.803 -0.107 0.000 0.865 278 Q CB -0.017 28.688 28.738 -0.056 0.000 0.922 278 Q HN 0.391 nan 8.270 nan 0.000 0.445 279 A N 0.385 122.911 122.820 -0.489 0.000 2.119 279 A HA -0.064 4.256 4.320 0.000 0.000 0.217 279 A C 1.887 179.195 177.584 -0.460 0.000 1.153 279 A CA 0.801 52.237 52.037 -1.002 0.000 0.692 279 A CB -0.229 18.134 19.000 -1.061 0.000 0.799 279 A HN 0.264 nan 8.150 nan 0.000 0.458 280 M N 0.093 119.545 119.600 -0.247 0.000 2.435 280 M HA -0.005 4.475 4.480 0.000 0.000 0.265 280 M C 1.200 177.475 176.300 -0.042 0.000 1.104 280 M CA 0.799 56.016 55.300 -0.138 0.000 1.140 280 M CB -0.268 32.257 32.600 -0.126 0.000 1.372 280 M HN 0.494 nan 8.290 nan 0.000 0.456 281 T N -0.372 114.173 114.554 -0.015 0.000 2.940 281 T HA 0.074 4.424 4.350 0.000 0.000 0.309 281 T C -1.630 173.127 174.700 0.095 0.000 1.056 281 T CA -1.400 60.722 62.100 0.037 0.000 1.137 281 T CB 0.442 69.336 68.868 0.044 0.000 0.976 281 T HN 0.099 nan 8.240 nan 0.000 0.547 282 P HA -0.052 nan 4.420 nan 0.000 0.228 282 P C 0.781 178.141 177.300 0.100 0.000 1.151 282 P CA 0.840 63.986 63.100 0.077 0.000 0.770 282 P CB 0.214 31.942 31.700 0.046 0.000 0.786 283 E N -0.780 119.488 120.200 0.114 0.000 2.107 283 E HA -0.097 4.253 4.350 0.000 0.000 0.191 283 E C 1.707 178.416 176.600 0.182 0.000 0.982 283 E CA 0.811 57.283 56.400 0.120 0.000 0.809 283 E CB -0.949 28.811 29.700 0.100 0.000 0.756 283 E HN 0.199 nan 8.360 nan 0.000 0.459 284 F N 1.492 121.489 119.950 0.078 0.000 2.146 284 F HA -0.114 4.414 4.527 0.000 0.000 0.298 284 F C 2.040 177.923 175.800 0.139 0.000 1.096 284 F CA 1.386 59.470 58.000 0.140 0.000 1.275 284 F CB 0.117 39.166 39.000 0.081 0.000 1.008 284 F HN -0.164 nan 8.300 nan 0.000 0.480 285 K N -0.173 120.360 120.400 0.221 0.000 2.147 285 K HA -0.242 4.078 4.320 0.000 0.000 0.205 285 K C 2.017 178.624 176.600 0.010 0.000 1.049 285 K CA 1.608 57.954 56.287 0.098 0.000 0.936 285 K CB -0.104 32.452 32.500 0.094 0.000 0.722 285 K HN 0.226 nan 8.250 nan 0.000 0.446 286 E N -0.475 119.748 120.200 0.039 0.000 2.122 286 E HA -0.168 4.182 4.350 0.000 0.000 0.190 286 E C 1.717 178.321 176.600 0.007 0.000 0.977 286 E CA 0.879 57.293 56.400 0.023 0.000 0.820 286 E CB -0.313 29.417 29.700 0.050 0.000 0.770 286 E HN 0.379 nan 8.360 nan 0.000 0.462 287 Y N 0.747 120.977 120.300 -0.116 0.000 2.224 287 Y HA -0.139 4.411 4.550 0.000 0.000 0.289 287 Y C 2.064 177.835 175.900 -0.216 0.000 1.146 287 Y CA 1.963 59.969 58.100 -0.157 0.000 1.182 287 Y CB -0.404 37.925 38.460 -0.219 0.000 0.983 287 Y HN 0.076 nan 8.280 nan 0.000 0.524 288 Q N 0.640 120.093 119.800 -0.578 0.000 2.172 288 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 288 Q C 2.460 178.251 176.000 -0.348 0.000 0.964 288 Q CA 1.600 57.022 55.803 -0.634 0.000 0.855 288 Q CB -0.293 28.177 28.738 -0.446 0.000 0.918 288 Q HN 0.543 nan 8.270 nan 0.000 0.444 289 R N -0.827 119.549 120.500 -0.207 0.000 2.115 289 R HA -0.123 4.217 4.340 0.000 0.000 0.226 289 R C 1.950 178.174 176.300 -0.126 0.000 1.100 289 R CA 1.126 57.151 56.100 -0.124 0.000 0.980 289 R CB 0.088 30.350 30.300 -0.064 0.000 0.875 289 R HN 0.139 nan 8.270 nan 0.000 0.445 290 Q N 0.253 119.971 119.800 -0.137 0.000 2.046 290 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 290 Q C 1.933 177.837 176.000 -0.160 0.000 0.975 290 Q CA 1.840 57.586 55.803 -0.096 0.000 0.836 290 Q CB -0.323 28.403 28.738 -0.019 0.000 0.896 290 Q HN 0.183 nan 8.270 nan 0.000 0.428 291 V N -0.211 119.535 119.914 -0.280 0.000 2.278 291 V HA -0.311 3.809 4.120 0.000 0.000 0.251 291 V C 2.285 178.252 176.094 -0.213 0.000 1.062 291 V CA 1.910 64.039 62.300 -0.286 0.000 1.038 291 V CB -0.744 30.812 31.823 -0.444 0.000 0.646 291 V HN 0.265 nan 8.190 nan 0.000 0.447 292 V N 0.037 119.846 119.914 -0.175 0.000 2.358 292 V HA -0.211 3.909 4.120 0.000 0.000 0.246 292 V C 2.652 178.665 176.094 -0.136 0.000 1.047 292 V CA 1.906 64.132 62.300 -0.125 0.000 1.035 292 V CB -1.196 30.573 31.823 -0.089 0.000 0.658 292 V HN 0.564 nan 8.190 nan 0.000 0.452 293 A N 0.381 123.124 122.820 -0.129 0.000 1.930 293 A HA -0.204 4.116 4.320 0.000 0.000 0.217 293 A C 2.057 179.538 177.584 -0.170 0.000 1.175 293 A CA 1.875 53.844 52.037 -0.113 0.000 0.627 293 A CB -0.658 18.296 19.000 -0.077 0.000 0.815 293 A HN 0.561 nan 8.150 nan 0.000 0.443 294 N N -0.518 118.025 118.700 -0.261 0.000 2.223 294 N HA -0.135 4.605 4.740 0.000 0.000 0.185 294 N C 1.681 176.837 175.510 -0.591 0.000 1.016 294 N CA 1.294 54.032 53.050 -0.520 0.000 0.863 294 N CB -0.838 37.170 38.487 -0.799 0.000 0.983 294 N HN 0.585 nan 8.380 nan 0.000 0.429 295 C N 1.005 120.076 119.300 -0.383 0.000 2.476 295 C HA 0.094 4.555 4.460 0.000 0.000 0.278 295 C C 2.638 177.514 174.990 -0.190 0.000 1.274 295 C CA 0.415 59.263 59.018 -0.283 0.000 1.713 295 C CB -0.739 26.886 27.740 -0.191 0.000 2.039 295 C HN 0.398 nan 8.230 nan 0.000 0.484 296 R N 0.553 120.965 120.500 -0.147 0.000 2.105 296 R HA -0.113 4.227 4.340 0.000 0.000 0.239 296 R C 2.384 178.637 176.300 -0.079 0.000 1.135 296 R CA 1.640 57.684 56.100 -0.094 0.000 0.967 296 R CB -0.411 29.846 30.300 -0.072 0.000 0.861 296 R HN 0.641 nan 8.270 nan 0.000 0.442 297 A N 1.071 123.832 122.820 -0.097 0.000 1.845 297 A HA -0.179 4.141 4.320 0.000 0.000 0.215 297 A C 2.054 179.623 177.584 -0.024 0.000 1.195 297 A CA 1.215 53.224 52.037 -0.047 0.000 0.616 297 A CB -0.638 18.343 19.000 -0.032 0.000 0.832 297 A HN 0.265 nan 8.150 nan 0.000 0.443 298 L N 0.152 121.337 121.223 -0.063 0.000 2.079 298 L HA -0.134 4.206 4.340 0.000 0.000 0.210 298 L C 2.496 179.352 176.870 -0.023 0.000 1.081 298 L CA 2.493 57.334 54.840 0.003 0.000 0.752 298 L CB -0.665 41.392 42.059 -0.004 0.000 0.896 298 L HN 0.332 nan 8.230 nan 0.000 0.433 299 S N -0.092 115.577 115.700 -0.052 0.000 2.349 299 S HA -0.201 4.269 4.470 0.000 0.000 0.216 299 S C 2.094 176.682 174.600 -0.020 0.000 1.033 299 S CA 1.337 59.512 58.200 -0.042 0.000 1.021 299 S CB -0.933 62.236 63.200 -0.051 0.000 0.968 299 S HN 0.687 nan 8.310 nan 0.000 0.426 300 A N 1.938 124.748 122.820 -0.017 0.000 1.884 300 A HA -0.130 4.190 4.320 0.000 0.000 0.219 300 A C 2.409 179.996 177.584 0.005 0.000 1.197 300 A CA 2.353 54.388 52.037 -0.005 0.000 0.637 300 A CB -1.486 17.510 19.000 -0.006 0.000 0.827 300 A HN 0.597 nan 8.150 nan 0.000 0.450 301 A N -0.795 122.030 122.820 0.008 0.000 1.927 301 A HA -0.149 4.171 4.320 0.000 0.000 0.220 301 A C 2.224 179.812 177.584 0.006 0.000 1.185 301 A CA 1.849 53.895 52.037 0.015 0.000 0.639 301 A CB -0.606 18.413 19.000 0.032 0.000 0.820 301 A HN 0.521 nan 8.150 nan 0.000 0.451 302 L N -1.207 120.012 121.223 -0.007 0.000 2.131 302 L HA -0.083 4.257 4.340 0.000 0.000 0.206 302 L C 2.514 179.450 176.870 0.110 0.000 1.087 302 L CA 0.614 55.448 54.840 -0.011 0.000 0.767 302 L CB -0.356 41.634 42.059 -0.115 0.000 0.917 302 L HN 0.237 nan 8.230 nan 0.000 0.441 303 V N 0.225 120.177 119.914 0.064 0.000 2.332 303 V HA -0.328 3.792 4.120 0.000 0.000 0.248 303 V C 2.424 178.545 176.094 0.046 0.000 1.055 303 V CA 2.127 64.465 62.300 0.063 0.000 1.038 303 V CB -0.375 31.465 31.823 0.028 0.000 0.651 303 V HN 0.512 nan 8.190 nan 0.000 0.450 304 E N -0.369 119.848 120.200 0.028 0.000 2.333 304 E HA -0.166 4.184 4.350 0.000 0.000 0.198 304 E C 1.754 178.352 176.600 -0.002 0.000 1.007 304 E CA 0.881 57.287 56.400 0.010 0.000 0.845 304 E CB -0.052 29.652 29.700 0.006 0.000 0.766 304 E HN 0.606 nan 8.360 nan 0.000 0.507 305 L N -1.074 120.161 121.223 0.020 0.000 2.607 305 L HA 0.309 4.649 4.340 0.000 0.000 0.228 305 L C 1.217 178.046 176.870 -0.069 0.000 1.123 305 L CA 0.340 55.149 54.840 -0.050 0.000 0.890 305 L CB 0.677 42.670 42.059 -0.111 0.000 1.103 305 L HN 0.362 nan 8.230 nan 0.000 0.468 306 G N -1.391 107.395 108.800 -0.022 0.000 2.159 306 G HA2 -0.285 3.675 3.960 0.000 0.000 0.227 306 G HA3 -0.285 3.675 3.960 0.000 0.000 0.227 306 G C -0.115 174.681 174.900 -0.173 0.000 0.986 306 G CA -0.574 44.459 45.100 -0.112 0.000 0.651 306 G HN 0.178 nan 8.290 nan 0.000 0.523 307 Y N 0.698 120.975 120.300 -0.038 0.000 2.301 307 Y HA 0.565 5.115 4.550 0.000 0.000 0.325 307 Y C 0.836 176.725 175.900 -0.020 0.000 1.203 307 Y CA 0.347 58.435 58.100 -0.019 0.000 1.255 307 Y CB 0.963 39.415 38.460 -0.013 0.000 1.232 307 Y HN 0.365 nan 8.280 nan 0.000 0.501 308 K N 4.017 124.488 120.400 0.119 0.000 2.253 308 K HA 0.515 4.835 4.320 0.000 0.000 0.277 308 K C -0.810 175.827 176.600 0.061 0.000 1.053 308 K CA -0.664 55.660 56.287 0.061 0.000 0.892 308 K CB -0.026 32.491 32.500 0.028 0.000 1.102 308 K HN 0.524 nan 8.250 nan 0.000 0.469 309 I N 3.835 124.426 120.570 0.035 0.000 2.395 309 I HA 0.084 4.254 4.170 0.000 0.000 0.289 309 I C 1.880 177.987 176.117 -0.017 0.000 1.023 309 I CA -0.790 60.512 61.300 0.003 0.000 1.350 309 I CB 1.086 39.076 38.000 -0.017 0.000 1.409 309 I HN 0.445 nan 8.210 nan 0.000 0.507 310 V N 5.074 124.965 119.914 -0.037 0.000 2.231 310 V HA -0.261 3.859 4.120 0.000 0.000 0.248 310 V C 2.029 178.085 176.094 -0.064 0.000 1.054 310 V CA 2.671 64.943 62.300 -0.046 0.000 1.015 310 V CB -0.896 30.895 31.823 -0.055 0.000 0.638 310 V HN 0.934 nan 8.190 nan 0.000 0.444 311 T N -2.484 111.992 114.554 -0.131 0.000 3.219 311 T HA 0.410 4.760 4.350 0.000 0.000 0.249 311 T C 1.365 176.056 174.700 -0.014 0.000 1.099 311 T CA 0.759 62.786 62.100 -0.123 0.000 0.988 311 T CB 0.369 69.010 68.868 -0.379 0.000 0.999 311 T HN 0.954 nan 8.240 nan 0.000 0.550 312 G N -0.321 108.467 108.800 -0.020 0.000 2.217 312 G HA2 0.085 4.045 3.960 0.000 0.000 0.246 312 G HA3 0.085 4.045 3.960 0.000 0.000 0.246 312 G C 0.423 175.313 174.900 -0.017 0.000 0.990 312 G CA -0.368 44.733 45.100 0.002 0.000 0.627 312 G HN 1.313 nan 8.290 nan 0.000 0.522 313 G N -1.653 107.118 108.800 -0.049 0.000 2.510 313 G HA2 0.773 4.733 3.960 0.000 0.000 0.277 313 G HA3 0.773 4.733 3.960 0.000 0.000 0.277 313 G C -0.904 173.930 174.900 -0.110 0.000 1.223 313 G CA 0.795 45.858 45.100 -0.062 0.000 0.887 313 G HN 1.693 nan 8.290 nan 0.000 0.485 314 S N -1.320 114.317 115.700 -0.105 0.000 2.537 314 S HA 0.525 4.995 4.470 0.000 0.000 0.271 314 S C -1.366 173.176 174.600 -0.096 0.000 1.148 314 S CA -0.326 57.792 58.200 -0.136 0.000 0.868 314 S CB 1.883 64.997 63.200 -0.142 0.000 1.115 314 S HN 0.378 nan 8.310 nan 0.000 0.461 315 D N 2.092 122.436 120.400 -0.094 0.000 2.398 315 D HA 0.225 4.865 4.640 0.000 0.000 0.210 315 D C 0.459 176.749 176.300 -0.017 0.000 1.094 315 D CA 0.325 54.300 54.000 -0.042 0.000 0.839 315 D CB 0.155 40.943 40.800 -0.020 0.000 0.963 315 D HN 0.654 nan 8.370 nan 0.000 0.506 316 N N -1.038 117.645 118.700 -0.029 0.000 3.664 316 N HA -0.032 4.708 4.740 0.000 0.000 0.334 316 N C 0.810 176.329 175.510 0.015 0.000 1.536 316 N CA -0.472 52.604 53.050 0.043 0.000 0.649 316 N CB -0.082 38.510 38.487 0.174 0.000 3.017 316 N HN -0.148 nan 8.380 nan 0.000 0.574 317 H N -0.404 118.634 119.070 -0.054 0.000 2.547 317 H HA 0.340 4.896 4.556 0.000 0.000 0.266 317 H C -0.084 175.217 175.328 -0.044 0.000 0.988 317 H CA 0.050 56.062 56.048 -0.061 0.000 1.147 317 H CB -0.543 29.199 29.762 -0.034 0.000 1.365 317 H HN 0.517 nan 8.280 nan 0.000 0.589 318 L N -0.530 120.397 121.223 -0.495 0.000 2.341 318 L HA 0.691 5.032 4.340 0.000 0.000 0.254 318 L C -0.811 175.916 176.870 -0.238 0.000 1.040 318 L CA -1.788 52.834 54.840 -0.364 0.000 0.837 318 L CB 2.083 43.864 42.059 -0.464 0.000 1.425 318 L HN 0.052 nan 8.230 nan 0.000 0.414 319 I N -0.926 119.542 120.570 -0.170 0.000 2.802 319 I HA 0.721 4.891 4.170 0.000 0.000 0.298 319 I C -1.528 174.524 176.117 -0.109 0.000 1.176 319 I CA -1.101 60.117 61.300 -0.137 0.000 1.025 319 I CB 2.284 40.221 38.000 -0.104 0.000 1.243 319 I HN 0.662 nan 8.210 nan 0.000 0.424 320 L N 5.879 127.041 121.223 -0.101 0.000 2.277 320 L HA 0.580 4.920 4.340 0.000 0.000 0.284 320 L C -0.794 176.050 176.870 -0.043 0.000 1.028 320 L CA -0.416 54.381 54.840 -0.071 0.000 0.835 320 L CB 1.312 43.327 42.059 -0.074 0.000 1.215 320 L HN 0.530 nan 8.230 nan 0.000 0.425 321 V N 4.480 124.380 119.914 -0.024 0.000 2.498 321 V HA 0.257 4.377 4.120 0.000 0.000 0.279 321 V C 0.002 176.119 176.094 0.038 0.000 1.048 321 V CA -0.520 61.788 62.300 0.014 0.000 0.967 321 V CB 1.323 33.148 31.823 0.003 0.000 0.988 321 V HN 0.678 nan 8.190 nan 0.000 0.473 322 D N 4.559 124.996 120.400 0.062 0.000 2.428 322 D HA 0.239 4.879 4.640 0.000 0.000 0.221 322 D C 0.612 176.961 176.300 0.081 0.000 1.123 322 D CA -0.197 53.833 54.000 0.050 0.000 0.869 322 D CB 1.278 42.096 40.800 0.030 0.000 1.032 322 D HN 0.466 nan 8.370 nan 0.000 0.506 323 L N 3.611 124.878 121.223 0.072 0.000 2.645 323 L HA 0.140 4.480 4.340 0.000 0.000 0.235 323 L C 2.123 179.003 176.870 0.017 0.000 1.150 323 L CA 0.035 54.923 54.840 0.080 0.000 0.911 323 L CB 0.040 42.145 42.059 0.077 0.000 1.077 323 L HN 0.169 nan 8.230 nan 0.000 0.438 324 R N -0.107 120.394 120.500 0.002 0.000 2.153 324 R HA -0.074 4.266 4.340 0.000 0.000 0.218 324 R C 2.452 178.732 176.300 -0.033 0.000 1.072 324 R CA 1.261 57.351 56.100 -0.016 0.000 0.990 324 R CB -0.004 30.288 30.300 -0.014 0.000 0.889 324 R HN 0.390 nan 8.270 nan 0.000 0.452 325 S N 0.188 115.862 115.700 -0.044 0.000 2.555 325 S HA 0.017 4.487 4.470 0.000 0.000 0.230 325 S C 1.366 175.889 174.600 -0.128 0.000 0.978 325 S CA 0.737 58.889 58.200 -0.081 0.000 0.934 325 S CB 0.220 63.364 63.200 -0.094 0.000 0.766 325 S HN 0.013 nan 8.310 nan 0.000 0.533 326 K N 0.429 120.758 120.400 -0.119 0.000 2.438 326 K HA 0.331 4.651 4.320 0.000 0.000 0.205 326 K C 1.149 177.716 176.600 -0.056 0.000 1.033 326 K CA 0.390 56.600 56.287 -0.127 0.000 1.089 326 K CB 0.262 32.659 32.500 -0.171 0.000 0.857 326 K HN 0.483 nan 8.250 nan 0.000 0.522 327 G N 1.365 110.138 108.800 -0.045 0.000 2.168 327 G HA2 -0.293 3.667 3.960 0.000 0.000 0.263 327 G HA3 -0.293 3.667 3.960 0.000 0.000 0.263 327 G C 0.468 175.351 174.900 -0.029 0.000 0.977 327 G CA 1.358 46.440 45.100 -0.031 0.000 0.659 327 G HN 0.422 nan 8.290 nan 0.000 0.533 328 T N -0.444 114.094 114.554 -0.028 0.000 2.633 328 T HA 0.627 4.977 4.350 0.000 0.000 0.262 328 T C -1.086 173.582 174.700 -0.053 0.000 0.920 328 T CA 0.426 62.497 62.100 -0.048 0.000 1.062 328 T CB 1.617 70.460 68.868 -0.042 0.000 1.390 328 T HN 0.527 nan 8.240 nan 0.000 0.549 329 D N -1.211 119.137 120.400 -0.087 0.000 2.559 329 D HA 0.341 4.981 4.640 0.000 0.000 0.250 329 D C 1.018 177.272 176.300 -0.076 0.000 1.135 329 D CA -0.474 53.480 54.000 -0.077 0.000 0.955 329 D CB 1.266 42.008 40.800 -0.096 0.000 1.442 329 D HN 0.711 nan 8.370 nan 0.000 0.471 330 G N -0.294 108.474 108.800 -0.052 0.000 2.443 330 G HA2 -0.101 3.859 3.960 0.000 0.000 0.219 330 G HA3 -0.101 3.859 3.960 0.000 0.000 0.219 330 G C 1.267 176.132 174.900 -0.057 0.000 1.131 330 G CA 1.030 46.106 45.100 -0.039 0.000 0.775 330 G HN 0.591 nan 8.290 nan 0.000 0.547 331 G N 0.822 109.569 108.800 -0.088 0.000 2.453 331 G HA2 -0.185 3.775 3.960 0.000 0.000 0.215 331 G HA3 -0.185 3.775 3.960 0.000 0.000 0.215 331 G C 1.932 176.750 174.900 -0.137 0.000 1.201 331 G CA 0.842 45.883 45.100 -0.099 0.000 0.784 331 G HN 0.436 nan 8.290 nan 0.000 0.545 332 R N 0.533 120.852 120.500 -0.302 0.000 2.066 332 R HA 0.100 4.440 4.340 0.000 0.000 0.232 332 R C 3.056 179.295 176.300 -0.102 0.000 1.131 332 R CA 1.158 56.938 56.100 -0.533 0.000 0.955 332 R CB -0.457 29.101 30.300 -1.237 0.000 0.851 332 R HN 0.342 nan 8.270 nan 0.000 0.432 333 A N 1.269 124.047 122.820 -0.070 0.000 1.865 333 A HA -0.285 4.035 4.320 0.000 0.000 0.217 333 A C 2.075 179.688 177.584 0.048 0.000 1.191 333 A CA 1.801 53.853 52.037 0.025 0.000 0.623 333 A CB -0.659 18.352 19.000 0.019 0.000 0.826 333 A HN 0.472 nan 8.150 nan 0.000 0.444 334 E N -0.423 119.792 120.200 0.024 0.000 2.108 334 E HA -0.293 4.057 4.350 0.000 0.000 0.203 334 E C 1.876 178.509 176.600 0.054 0.000 1.022 334 E CA 1.746 58.164 56.400 0.031 0.000 0.823 334 E CB -0.076 29.633 29.700 0.015 0.000 0.744 334 E HN 0.390 nan 8.360 nan 0.000 0.456 335 K N 0.078 120.529 120.400 0.086 0.000 2.057 335 K HA -0.086 4.234 4.320 0.000 0.000 0.206 335 K C 2.234 178.895 176.600 0.103 0.000 1.050 335 K CA 0.943 57.297 56.287 0.111 0.000 0.935 335 K CB -0.401 32.210 32.500 0.185 0.000 0.715 335 K HN 0.145 nan 8.250 nan 0.000 0.439 336 V N 1.782 121.779 119.914 0.139 0.000 2.270 336 V HA -0.199 3.921 4.120 0.000 0.000 0.245 336 V C 2.470 178.595 176.094 0.051 0.000 1.043 336 V CA 1.372 63.724 62.300 0.088 0.000 1.014 336 V CB -0.507 31.390 31.823 0.123 0.000 0.645 336 V HN 0.151 nan 8.190 nan 0.000 0.447 337 L N 0.033 121.289 121.223 0.054 0.000 2.127 337 L HA -0.223 4.117 4.340 0.000 0.000 0.211 337 L C 2.581 179.466 176.870 0.026 0.000 1.089 337 L CA 1.886 56.748 54.840 0.036 0.000 0.757 337 L CB -0.543 41.538 42.059 0.036 0.000 0.899 337 L HN 0.459 nan 8.230 nan 0.000 0.434 338 E N 0.480 120.698 120.200 0.031 0.000 2.051 338 E HA -0.254 4.096 4.350 0.000 0.000 0.192 338 E C 2.200 178.808 176.600 0.013 0.000 0.991 338 E CA 1.213 57.627 56.400 0.023 0.000 0.799 338 E CB -0.053 29.664 29.700 0.028 0.000 0.748 338 E HN 0.462 nan 8.360 nan 0.000 0.449 339 A N -0.026 122.802 122.820 0.013 0.000 2.125 339 A HA -0.124 4.196 4.320 0.000 0.000 0.219 339 A C 1.992 179.574 177.584 -0.004 0.000 1.156 339 A CA 0.989 53.027 52.037 0.002 0.000 0.671 339 A CB -0.391 18.608 19.000 -0.002 0.000 0.794 339 A HN 0.459 nan 8.150 nan 0.000 0.459 340 C N -0.458 118.840 119.300 -0.003 0.000 2.693 340 C HA 0.395 4.855 4.460 0.000 0.000 0.286 340 C C 1.420 176.389 174.990 -0.034 0.000 1.277 340 C CA 0.393 59.402 59.018 -0.016 0.000 1.705 340 C CB -1.612 26.125 27.740 -0.006 0.000 1.879 340 C HN 0.626 nan 8.230 nan 0.000 0.607 341 S N 0.488 116.175 115.700 -0.021 0.000 3.490 341 S HA -0.178 4.292 4.470 0.000 0.000 0.301 341 S C -0.044 174.545 174.600 -0.018 0.000 1.233 341 S CA 0.627 58.814 58.200 -0.022 0.000 0.914 341 S CB -1.338 61.841 63.200 -0.035 0.000 1.047 341 S HN 0.732 nan 8.310 nan 0.000 0.602 342 I N 1.467 122.032 120.570 -0.008 0.000 2.354 342 I HA 0.559 4.729 4.170 0.000 0.000 0.286 342 I C 0.304 176.434 176.117 0.023 0.000 1.007 342 I CA -0.401 60.903 61.300 0.007 0.000 1.167 342 I CB 1.473 39.480 38.000 0.013 0.000 1.320 342 I HN 0.288 nan 8.210 nan 0.000 0.458 343 A N 6.610 129.449 122.820 0.032 0.000 2.274 343 A HA 0.775 5.095 4.320 0.000 0.000 0.309 343 A C -0.128 177.479 177.584 0.039 0.000 1.226 343 A CA -0.351 51.707 52.037 0.035 0.000 0.853 343 A CB 0.664 19.686 19.000 0.038 0.000 1.146 343 A HN 0.979 nan 8.150 nan 0.000 0.518 344 C N 1.099 120.419 119.300 0.033 0.000 3.251 344 C HA 0.882 5.342 4.460 0.000 0.000 0.376 344 C C -1.127 173.877 174.990 0.024 0.000 1.791 344 C CA -0.591 58.445 59.018 0.031 0.000 1.163 344 C CB 1.324 29.079 27.740 0.026 0.000 2.128 344 C HN 1.043 nan 8.230 nan 0.000 0.429 345 N N -0.075 118.635 118.700 0.016 0.000 2.708 345 N HA 0.369 5.109 4.740 0.000 0.000 0.257 345 N C -1.861 173.647 175.510 -0.003 0.000 1.373 345 N CA -0.608 52.447 53.050 0.008 0.000 0.843 345 N CB 1.691 40.185 38.487 0.011 0.000 1.503 345 N HN 1.002 nan 8.380 nan 0.000 0.504 346 K N 0.203 120.597 120.400 -0.010 0.000 2.202 346 K HA 0.422 4.742 4.320 0.000 0.000 0.264 346 K C -0.908 175.676 176.600 -0.027 0.000 1.010 346 K CA -0.356 55.919 56.287 -0.019 0.000 0.940 346 K CB 0.714 33.199 32.500 -0.025 0.000 0.983 346 K HN 0.632 nan 8.250 nan 0.000 0.475 347 N N -0.162 118.520 118.700 -0.030 0.000 2.396 347 N HA 0.202 4.942 4.740 0.000 0.000 0.275 347 N C -1.712 173.778 175.510 -0.034 0.000 1.218 347 N CA -0.664 52.364 53.050 -0.038 0.000 0.812 347 N CB 2.015 40.478 38.487 -0.040 0.000 1.592 347 N HN 0.781 nan 8.380 nan 0.000 0.480 348 T N -0.918 113.613 114.554 -0.038 0.000 2.899 348 T HA 0.407 4.757 4.350 0.000 0.000 0.295 348 T C 0.068 174.754 174.700 -0.024 0.000 1.033 348 T CA -0.416 61.666 62.100 -0.029 0.000 1.084 348 T CB 0.287 69.138 68.868 -0.029 0.000 0.979 348 T HN 0.379 nan 8.240 nan 0.000 0.532 349 C N 3.519 122.809 119.300 -0.017 0.000 2.365 349 C HA 0.439 4.899 4.460 0.000 0.000 0.349 349 C C -0.685 174.301 174.990 -0.006 0.000 1.191 349 C CA -1.236 57.775 59.018 -0.012 0.000 2.114 349 C CB 1.183 28.918 27.740 -0.008 0.000 2.367 349 C HN 0.738 nan 8.230 nan 0.000 0.530 350 P HA -0.165 nan 4.420 nan 0.000 0.218 350 P C 1.428 178.732 177.300 0.007 0.000 1.165 350 P CA 2.328 65.433 63.100 0.009 0.000 0.922 350 P CB -0.000 31.714 31.700 0.023 0.000 0.794 351 G N -1.549 107.255 108.800 0.007 0.000 2.534 351 G HA2 -0.123 3.837 3.960 0.000 0.000 0.217 351 G HA3 -0.123 3.837 3.960 0.000 0.000 0.217 351 G C 0.554 175.454 174.900 -0.001 0.000 1.128 351 G CA 0.145 45.248 45.100 0.005 0.000 0.784 351 G HN 0.226 nan 8.290 nan 0.000 0.542 355 S N -0.648 115.049 115.700 -0.005 0.000 2.936 355 S HA 0.629 5.099 4.470 0.000 0.000 0.287 355 S C 0.498 175.094 174.600 -0.008 0.000 0.408 355 S CA 0.315 58.511 58.200 -0.006 0.000 0.561 355 S CB -1.148 62.046 63.200 -0.011 0.000 0.780 355 S HN 2.105 nan 8.310 nan 0.000 0.686 356 A N 1.505 124.324 122.820 -0.002 0.000 2.259 356 A HA 0.604 4.924 4.320 0.000 0.000 0.208 356 A C 1.947 179.524 177.584 -0.011 0.000 1.201 356 A CA 1.752 53.786 52.037 -0.006 0.000 0.824 356 A CB -0.747 18.257 19.000 0.006 0.000 0.838 356 A HN 2.261 nan 8.150 nan 0.000 0.485 357 L N -2.584 118.632 121.223 -0.012 0.000 2.556 357 L HA 0.589 4.929 4.340 0.000 0.000 0.226 357 L C 1.890 178.743 176.870 -0.028 0.000 1.089 357 L CA 1.170 56.000 54.840 -0.016 0.000 0.864 357 L CB -1.404 40.649 42.059 -0.009 0.000 1.067 357 L HN 0.593 nan 8.230 nan 0.000 0.477 358 R N 1.795 122.278 120.500 -0.029 0.000 3.220 358 R HA 0.530 4.870 4.340 0.000 0.000 0.324 358 R C -2.725 173.553 176.300 -0.038 0.000 1.283 358 R CA -1.060 55.016 56.100 -0.040 0.000 1.387 358 R CB -1.290 28.989 30.300 -0.035 0.000 1.413 358 R HN 0.593 nan 8.270 nan 0.000 0.610 359 P HA 0.114 nan 4.420 nan 0.000 0.268 359 P C -0.168 177.111 177.300 -0.035 0.000 1.204 359 P CA 0.338 63.418 63.100 -0.034 0.000 0.768 359 P CB 1.733 33.411 31.700 -0.035 0.000 0.842 360 S N 1.112 116.797 115.700 -0.026 0.000 2.556 360 S HA 0.218 4.688 4.470 0.000 0.000 0.216 360 S C 1.079 175.674 174.600 -0.009 0.000 0.970 360 S CA 0.002 58.189 58.200 -0.020 0.000 0.912 360 S CB 0.208 63.399 63.200 -0.015 0.000 0.790 360 S HN 0.735 nan 8.310 nan 0.000 0.504 361 G N 0.512 109.305 108.800 -0.012 0.000 2.597 361 G HA2 0.739 4.699 3.960 0.000 0.000 0.317 361 G HA3 0.739 4.699 3.960 0.000 0.000 0.317 361 G C -1.383 173.512 174.900 -0.007 0.000 1.230 361 G CA -0.621 44.476 45.100 -0.005 0.000 0.996 361 G HN 0.255 nan 8.290 nan 0.000 0.490 362 L N 0.232 121.451 121.223 -0.005 0.000 2.409 362 L HA 0.491 4.831 4.340 0.000 0.000 0.272 362 L C -0.188 176.669 176.870 -0.021 0.000 0.980 362 L CA -0.835 53.999 54.840 -0.009 0.000 0.826 362 L CB 2.492 44.548 42.059 -0.005 0.000 1.268 362 L HN 0.595 nan 8.230 nan 0.000 0.407 363 R N 4.258 124.745 120.500 -0.022 0.000 2.229 363 R HA 0.692 5.032 4.340 0.000 0.000 0.328 363 R C -1.626 174.663 176.300 -0.019 0.000 1.009 363 R CA -0.328 55.752 56.100 -0.033 0.000 0.864 363 R CB 0.776 31.057 30.300 -0.033 0.000 1.085 363 R HN 0.572 nan 8.270 nan 0.000 0.453 364 L N 3.649 124.853 121.223 -0.031 0.000 2.365 364 L HA 0.702 5.042 4.340 0.000 0.000 0.273 364 L C 0.126 176.985 176.870 -0.018 0.000 1.000 364 L CA -0.978 53.860 54.840 -0.004 0.000 0.819 364 L CB 2.373 44.430 42.059 -0.003 0.000 1.284 364 L HN 0.877 nan 8.230 nan 0.000 0.418 365 G N -0.816 108.005 108.800 0.035 0.000 2.620 365 G HA2 0.455 4.415 3.960 0.000 0.000 0.301 365 G HA3 0.455 4.415 3.960 0.000 0.000 0.301 365 G C 0.280 175.251 174.900 0.117 0.000 1.347 365 G CA 0.079 45.203 45.100 0.040 0.000 0.971 365 G HN 0.612 nan 8.290 nan 0.000 0.488 366 T N -1.302 113.306 114.554 0.090 0.000 3.037 366 T HA 0.196 4.546 4.350 0.000 0.000 0.251 366 T C -0.452 174.364 174.700 0.193 0.000 1.079 366 T CA 0.310 62.486 62.100 0.126 0.000 1.067 366 T CB -0.174 68.568 68.868 -0.210 0.000 0.948 366 T HN 0.238 nan 8.240 nan 0.000 0.496 367 P HA -0.165 nan 4.420 nan 0.000 0.214 367 P C 1.867 179.323 177.300 0.260 0.000 1.172 367 P CA 2.153 65.358 63.100 0.175 0.000 0.925 367 P CB -0.439 31.340 31.700 0.132 0.000 0.793 368 A N -1.056 121.857 122.820 0.155 0.000 1.908 368 A HA -0.185 4.135 4.320 0.000 0.000 0.218 368 A C 2.280 180.028 177.584 0.274 0.000 1.181 368 A CA 1.680 53.771 52.037 0.091 0.000 0.627 368 A CB -1.681 17.249 19.000 -0.116 0.000 0.818 368 A HN 0.141 nan 8.150 nan 0.000 0.445 369 L N -0.865 120.512 121.223 0.256 0.000 2.313 369 L HA -0.077 4.263 4.340 0.000 0.000 0.214 369 L C 2.388 179.391 176.870 0.222 0.000 1.119 369 L CA 1.319 56.264 54.840 0.176 0.000 0.809 369 L CB -0.361 41.718 42.059 0.033 0.000 0.933 369 L HN 0.350 nan 8.230 nan 0.000 0.449 370 T N -1.646 113.125 114.554 0.362 0.000 2.985 370 T HA -0.082 4.268 4.350 0.000 0.000 0.266 370 T C 2.003 176.927 174.700 0.373 0.000 1.076 370 T CA 0.982 63.315 62.100 0.387 0.000 1.135 370 T CB 0.111 69.185 68.868 0.343 0.000 0.890 370 T HN 0.187 nan 8.240 nan 0.000 0.480 371 S N 1.043 116.939 115.700 0.327 0.000 2.515 371 S HA 0.058 4.528 4.470 0.000 0.000 0.231 371 S C 1.732 176.394 174.600 0.104 0.000 0.987 371 S CA 0.501 58.749 58.200 0.080 0.000 0.936 371 S CB -0.036 63.215 63.200 0.085 0.000 0.766 371 S HN 0.442 nan 8.310 nan 0.000 0.528 372 R N 0.028 120.609 120.500 0.134 0.000 2.393 372 R HA 0.252 4.593 4.340 0.000 0.000 0.244 372 R C 1.487 177.853 176.300 0.110 0.000 0.920 372 R CA 0.517 56.657 56.100 0.068 0.000 1.076 372 R CB 0.342 30.639 30.300 -0.004 0.000 1.119 372 R HN 0.409 nan 8.270 nan 0.000 0.524 373 G N 0.774 109.649 108.800 0.126 0.000 2.258 373 G HA2 -0.244 3.716 3.960 0.000 0.000 0.233 373 G HA3 -0.244 3.716 3.960 0.000 0.000 0.233 373 G C 0.379 175.383 174.900 0.173 0.000 1.006 373 G CA -0.440 44.767 45.100 0.177 0.000 0.620 373 G HN 0.085 nan 8.290 nan 0.000 0.511 374 L N -0.052 121.165 121.223 -0.011 0.000 2.498 374 L HA 0.251 4.591 4.340 0.000 0.000 0.293 374 L C 2.467 179.483 176.870 0.244 0.000 1.271 374 L CA 2.246 57.063 54.840 -0.038 0.000 0.831 374 L CB -0.857 40.967 42.059 -0.392 0.000 1.091 374 L HN 1.144 nan 8.230 nan 0.000 0.535 375 K N 1.108 121.613 120.400 0.176 0.000 3.852 375 K HA -0.333 3.987 4.320 0.000 0.000 0.236 375 K C 1.283 178.002 176.600 0.198 0.000 0.834 375 K CA 2.509 58.889 56.287 0.155 0.000 0.871 375 K CB -2.122 30.455 32.500 0.128 0.000 1.796 375 K HN 0.880 nan 8.250 nan 0.000 0.587 376 D N -1.287 119.270 120.400 0.262 0.000 2.144 376 D HA -0.019 4.621 4.640 0.000 0.000 0.200 376 D C 1.812 178.230 176.300 0.196 0.000 0.978 376 D CA 1.342 55.535 54.000 0.322 0.000 0.833 376 D CB -0.263 40.693 40.800 0.260 0.000 0.961 376 D HN 0.639 nan 8.370 nan 0.000 0.470 377 F N 1.657 121.690 119.950 0.139 0.000 2.365 377 F HA -0.048 4.479 4.527 0.000 0.000 0.300 377 F C 1.693 177.524 175.800 0.052 0.000 1.090 377 F CA 0.645 58.701 58.000 0.094 0.000 1.408 377 F CB -0.045 38.989 39.000 0.055 0.000 1.060 377 F HN -0.159 nan 8.300 nan 0.000 0.534 383 A N 0.070 122.933 122.820 0.071 0.000 1.917 383 A HA -0.330 3.990 4.320 0.000 0.000 0.219 383 A C 1.783 179.369 177.584 0.004 0.000 1.182 383 A CA 2.965 55.023 52.037 0.034 0.000 0.633 383 A CB -0.776 18.246 19.000 0.036 0.000 0.819 383 A HN 0.827 nan 8.150 nan 0.000 0.448 384 H N -1.884 117.109 119.070 -0.129 0.000 2.389 384 H HA -0.069 4.487 4.556 0.000 0.000 0.299 384 H C 1.600 176.851 175.328 -0.128 0.000 1.081 384 H CA 2.028 57.982 56.048 -0.158 0.000 1.345 384 H CB -0.202 29.363 29.762 -0.327 0.000 1.393 384 H HN 0.471 nan 8.280 nan 0.000 0.520 385 F N -0.007 119.945 119.950 0.005 0.000 2.113 385 F HA -0.098 4.429 4.527 0.000 0.000 0.297 385 F C 2.394 178.163 175.800 -0.052 0.000 1.103 385 F CA 1.051 59.031 58.000 -0.034 0.000 1.248 385 F CB -0.697 38.280 39.000 -0.038 0.000 0.999 385 F HN 0.159 nan 8.300 nan 0.000 0.475 386 I N -0.719 119.939 120.570 0.146 0.000 2.163 386 I HA -0.368 3.802 4.170 0.000 0.000 0.243 386 I C 2.531 178.654 176.117 0.010 0.000 1.085 386 I CA 1.854 63.184 61.300 0.049 0.000 1.347 386 I CB -0.667 37.322 38.000 -0.018 0.000 1.044 386 I HN 0.153 nan 8.210 nan 0.000 0.408 387 H N 1.713 120.712 119.070 -0.118 0.000 2.289 387 H HA -0.148 4.408 4.556 0.000 0.000 0.296 387 H C 2.371 177.676 175.328 -0.037 0.000 1.091 387 H CA 1.805 57.809 56.048 -0.074 0.000 1.274 387 H CB -0.073 29.604 29.762 -0.142 0.000 1.364 387 H HN 0.054 nan 8.280 nan 0.000 0.490 388 R N -0.350 119.987 120.500 -0.272 0.000 2.119 388 R HA -0.127 4.213 4.340 0.000 0.000 0.246 388 R C 2.612 178.844 176.300 -0.114 0.000 1.146 388 R CA 1.236 57.205 56.100 -0.218 0.000 0.962 388 R CB -1.255 29.011 30.300 -0.057 0.000 0.863 388 R HN 0.557 nan 8.270 nan 0.000 0.442 389 G N 1.385 110.165 108.800 -0.034 0.000 2.422 389 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 389 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 389 G C 1.445 176.349 174.900 0.007 0.000 1.146 389 G CA 0.319 45.421 45.100 0.004 0.000 0.769 389 G HN 0.110 nan 8.290 nan 0.000 0.547 390 I N 1.225 121.799 120.570 0.008 0.000 2.286 390 I HA -0.051 4.119 4.170 0.000 0.000 0.245 390 I C 2.032 178.154 176.117 0.008 0.000 1.104 390 I CA 0.542 61.880 61.300 0.062 0.000 1.397 390 I CB -1.249 36.879 38.000 0.214 0.000 1.072 390 I HN 0.264 nan 8.210 nan 0.000 0.417 391 E N 1.467 121.608 120.200 -0.099 0.000 2.453 391 E HA -0.181 4.169 4.350 0.000 0.000 0.207 391 E C 1.547 178.125 176.600 -0.038 0.000 1.212 391 E CA 0.889 57.225 56.400 -0.106 0.000 0.959 391 E CB -0.451 29.120 29.700 -0.215 0.000 0.957 391 E HN 0.633 nan 8.360 nan 0.000 0.540 392 T N -2.723 111.864 114.554 0.055 0.000 9.439 392 T HA -0.383 3.967 4.350 0.000 0.000 0.390 392 T C 1.695 176.485 174.700 0.151 0.000 1.392 392 T CA 2.295 64.490 62.100 0.159 0.000 2.390 392 T CB -1.469 67.505 68.868 0.178 0.000 2.881 392 T HN 0.190 nan 8.240 nan 0.000 1.174 393 V N 2.048 122.006 119.914 0.074 0.000 2.407 393 V HA -0.084 4.036 4.120 0.000 0.000 0.248 393 V C 1.877 178.005 176.094 0.056 0.000 1.055 393 V CA 2.058 64.392 62.300 0.057 0.000 1.049 393 V CB -0.859 30.980 31.823 0.026 0.000 0.662 393 V HN 0.722 nan 8.190 nan 0.000 0.455 394 Q N 0.575 120.397 119.800 0.037 0.000 2.242 394 Q HA 0.080 4.420 4.340 0.000 0.000 0.284 394 Q C 0.591 176.610 176.000 0.032 0.000 1.130 394 Q CA 1.078 56.912 55.803 0.050 0.000 0.940 394 Q CB -0.028 28.752 28.738 0.070 0.000 1.146 394 Q HN 0.575 nan 8.270 nan 0.000 0.388 395 D N 0.026 120.483 120.400 0.095 0.000 2.999 395 D HA -0.122 4.518 4.640 0.000 0.000 0.197 395 D C -0.281 176.080 176.300 0.102 0.000 0.912 395 D CA 1.197 55.265 54.000 0.114 0.000 0.963 395 D CB -0.719 40.209 40.800 0.214 0.000 1.054 395 D HN 0.533 nan 8.370 nan 0.000 0.454 396 T N -1.015 113.593 114.554 0.090 0.000 2.121 396 T HA 0.927 5.277 4.350 0.000 0.000 0.197 396 T C -0.941 173.802 174.700 0.071 0.000 0.822 396 T CA 1.129 63.282 62.100 0.087 0.000 1.195 396 T CB 0.687 69.635 68.868 0.133 0.000 3.009 396 T HN 1.199 nan 8.240 nan 0.000 0.449 397 A N 0.037 122.876 122.820 0.031 0.000 2.365 397 A HA 0.390 4.710 4.320 0.000 0.000 0.609 397 A C -0.282 177.328 177.584 0.043 0.000 0.312 397 A CA -0.552 51.512 52.037 0.046 0.000 0.264 397 A CB -1.106 17.938 19.000 0.072 0.000 3.458 397 A HN 0.570 nan 8.150 nan 0.000 0.500 398 T N 1.569 116.153 114.554 0.051 0.000 2.899 398 T HA 0.511 4.861 4.350 0.000 0.000 0.284 398 T C 0.455 175.203 174.700 0.079 0.000 1.004 398 T CA -0.161 61.967 62.100 0.046 0.000 1.043 398 T CB 0.603 69.493 68.868 0.038 0.000 1.013 398 T HN 1.191 nan 8.240 nan 0.000 0.518 399 L N 3.317 124.574 121.223 0.056 0.000 2.565 399 L HA 0.429 4.769 4.340 0.000 0.000 0.275 399 L C 0.986 177.932 176.870 0.127 0.000 1.137 399 L CA 2.019 56.912 54.840 0.089 0.000 0.915 399 L CB -1.315 40.761 42.059 0.028 0.000 1.232 399 L HN 1.110 nan 8.230 nan 0.000 0.473 400 E N 1.106 121.287 120.200 -0.030 0.000 3.491 400 E HA -0.183 4.167 4.350 0.000 0.000 0.143 400 E C 1.542 178.106 176.600 -0.059 0.000 0.620 400 E CA 1.201 57.582 56.400 -0.032 0.000 2.973 400 E CB -1.707 27.991 29.700 -0.005 0.000 1.272 400 E HN 0.539 nan 8.360 nan 0.000 0.762 401 K N 0.273 120.620 120.400 -0.088 0.000 2.147 401 K HA 0.439 4.759 4.320 0.000 0.000 0.205 401 K C 2.439 178.976 176.600 -0.105 0.000 1.049 401 K CA 1.960 58.203 56.287 -0.074 0.000 0.936 401 K CB -0.681 31.771 32.500 -0.080 0.000 0.722 401 K HN 1.161 nan 8.250 nan 0.000 0.446 402 L N -0.423 120.648 121.223 -0.255 0.000 2.291 402 L HA 0.207 4.547 4.340 0.000 0.000 0.214 402 L C 2.463 179.266 176.870 -0.111 0.000 1.120 402 L CA 1.743 56.424 54.840 -0.265 0.000 0.799 402 L CB -0.193 41.628 42.059 -0.397 0.000 0.925 402 L HN 0.369 nan 8.230 nan 0.000 0.446 403 A N -1.041 121.732 122.820 -0.079 0.000 1.920 403 A HA 0.292 4.612 4.320 0.000 0.000 0.209 403 A C 2.011 179.583 177.584 -0.020 0.000 1.229 403 A CA 0.528 52.541 52.037 -0.040 0.000 0.671 403 A CB -0.987 17.994 19.000 -0.033 0.000 0.886 403 A HN 0.383 nan 8.150 nan 0.000 0.461 404 G N -1.382 107.408 108.800 -0.016 0.000 3.279 404 G HA2 0.376 4.336 3.960 0.000 0.000 0.230 404 G HA3 0.376 4.336 3.960 0.000 0.000 0.230 404 G C 1.122 176.019 174.900 -0.006 0.000 1.230 404 G CA 1.401 46.495 45.100 -0.009 0.000 0.891 404 G HN 1.155 nan 8.290 nan 0.000 0.518 405 K N -0.074 120.246 120.400 -0.133 0.000 7.952 405 K HA -0.366 3.954 4.320 0.000 0.000 0.482 405 K C 1.473 177.975 176.600 -0.164 0.000 0.374 405 K CA 2.063 58.229 56.287 -0.202 0.000 1.938 405 K CB -2.281 30.004 32.500 -0.357 0.000 0.742 405 K HN 0.562 nan 8.250 nan 0.000 0.896 406 H N 1.608 120.655 119.070 -0.037 0.000 2.832 406 H HA 0.347 4.903 4.556 0.000 0.000 0.297 406 H C 2.363 177.667 175.328 -0.040 0.000 1.103 406 H CA 1.659 57.679 56.048 -0.045 0.000 1.201 406 H CB -0.925 28.793 29.762 -0.074 0.000 1.291 406 H HN 1.112 nan 8.280 nan 0.000 0.614 407 R N 0.075 120.585 120.500 0.017 0.000 1.871 407 R HA -0.387 3.953 4.340 0.000 0.000 0.093 407 R C 2.340 178.653 176.300 0.022 0.000 0.930 407 R CA 2.972 59.079 56.100 0.012 0.000 1.081 407 R CB -2.197 28.103 30.300 0.000 0.000 0.615 407 R HN 0.542 nan 8.270 nan 0.000 0.429 408 A N -0.354 122.487 122.820 0.035 0.000 1.877 408 A HA 0.151 4.471 4.320 0.000 0.000 0.216 408 A C 2.669 180.273 177.584 0.033 0.000 1.186 408 A CA 2.632 54.693 52.037 0.040 0.000 0.620 408 A CB -0.523 18.511 19.000 0.058 0.000 0.822 408 A HN 1.210 nan 8.150 nan 0.000 0.443 409 V N -0.105 119.827 119.914 0.030 0.000 2.282 409 V HA -0.319 3.801 4.120 0.000 0.000 0.249 409 V C 2.687 178.787 176.094 0.011 0.000 1.057 409 V CA 2.487 64.797 62.300 0.016 0.000 1.032 409 V CB -0.802 31.025 31.823 0.006 0.000 0.645 409 V HN 0.539 nan 8.190 nan 0.000 0.447 410 R N -0.073 120.434 120.500 0.011 0.000 2.081 410 R HA -0.041 4.299 4.340 0.000 0.000 0.235 410 R C 2.050 178.356 176.300 0.011 0.000 1.131 410 R CA 1.263 57.367 56.100 0.007 0.000 0.960 410 R CB -0.544 29.760 30.300 0.006 0.000 0.856 410 R HN 0.509 nan 8.270 nan 0.000 0.436 411 A N 1.252 124.084 122.820 0.020 0.000 2.253 411 A HA -0.119 4.201 4.320 0.000 0.000 0.203 411 A C 1.333 178.939 177.584 0.036 0.000 1.272 411 A CA 0.716 52.770 52.037 0.029 0.000 0.847 411 A CB -0.819 18.202 19.000 0.035 0.000 0.772 411 A HN 0.435 nan 8.150 nan 0.000 0.494 412 R N -2.542 117.948 120.500 -0.016 0.000 2.715 412 R HA -0.475 3.865 4.340 0.000 0.000 0.087 412 R C 1.997 178.271 176.300 -0.044 0.000 0.517 412 R CA 3.648 59.723 56.100 -0.042 0.000 0.258 412 R CB -1.508 28.777 30.300 -0.025 0.000 0.580 412 R HN 0.746 nan 8.270 nan 0.000 0.240 413 Q N 0.285 120.076 119.800 -0.015 0.000 2.197 413 Q HA -0.225 4.115 4.340 0.000 0.000 0.207 413 Q C 1.866 177.866 176.000 -0.001 0.000 0.984 413 Q CA 2.169 57.969 55.803 -0.004 0.000 0.869 413 Q CB -0.598 28.146 28.738 0.010 0.000 0.906 413 Q HN 0.836 nan 8.270 nan 0.000 0.426 414 E N -0.759 119.439 120.200 -0.003 0.000 2.112 414 E HA 0.024 4.374 4.350 0.000 0.000 0.190 414 E C 0.267 176.790 176.600 -0.130 0.000 0.979 414 E CA 0.420 56.830 56.400 0.016 0.000 0.814 414 E CB 0.396 30.164 29.700 0.113 0.000 0.762 414 E HN 0.447 nan 8.360 nan 0.000 0.460 415 V N 3.316 123.044 119.914 -0.311 0.000 2.180 415 V HA -0.074 4.047 4.120 0.000 0.000 0.238 415 V C 0.300 176.311 176.094 -0.138 0.000 1.337 415 V CA 1.011 63.013 62.300 -0.496 0.000 1.338 415 V CB -1.272 30.286 31.823 -0.441 0.000 1.431 415 V HN 0.437 nan 8.190 nan 0.000 0.498 416 F N 2.806 122.773 119.950 0.029 0.000 2.546 416 F HA -0.452 4.075 4.527 0.000 0.000 0.676 416 F C 1.828 177.760 175.800 0.220 0.000 0.489 416 F CA 2.067 60.144 58.000 0.130 0.000 0.816 416 F CB -1.525 37.559 39.000 0.141 0.000 1.671 416 F HN 0.371 nan 8.300 nan 0.000 0.264 417 A N 1.106 123.960 122.820 0.056 0.000 1.902 417 A HA 0.355 4.676 4.320 0.000 0.000 0.217 417 A C 1.758 179.377 177.584 0.059 0.000 1.181 417 A CA 1.978 54.025 52.037 0.015 0.000 0.623 417 A CB -1.444 17.556 19.000 0.001 0.000 0.818 417 A HN 1.459 nan 8.150 nan 0.000 0.443 892 Q N -0.301 119.541 119.800 0.070 0.000 2.217 892 Q HA 0.294 4.634 4.340 0.000 0.000 0.217 892 Q C -0.041 175.971 176.000 0.020 0.000 0.844 892 Q CA 0.258 56.088 55.803 0.045 0.000 0.957 892 Q CB 0.556 29.317 28.738 0.037 0.000 1.127 892 Q HN 0.352 nan 8.270 nan 0.000 0.503 1342 K N 0.842 121.185 120.400 -0.095 0.000 2.267 1342 K HA 0.641 4.961 4.320 0.000 0.000 0.246 1342 K C -0.825 175.683 176.600 -0.153 0.000 0.954 1342 K CA -0.760 55.465 56.287 -0.104 0.000 0.824 1342 K CB 2.191 34.642 32.500 -0.081 0.000 1.167 1342 K HN 0.168 nan 8.250 nan 0.000 0.431 2442 R N 2.934 123.202 120.500 -0.386 0.000 2.112 2442 R HA 0.645 4.985 4.340 0.000 0.000 0.216 2442 R C 0.688 176.816 176.300 -0.286 0.000 1.080 2442 R CA 1.742 57.446 56.100 -0.661 0.000 0.996 2442 R CB 0.471 30.042 30.300 -1.215 0.000 0.902 2442 R HN 2.267 nan 8.270 nan 0.000 0.449 2443 S N -1.359 114.222 115.700 -0.199 0.000 2.678 2443 S HA 0.527 4.998 4.470 0.000 0.000 0.290 2443 S C -0.896 173.651 174.600 -0.088 0.000 1.047 2443 S CA -0.291 57.840 58.200 -0.114 0.000 0.851 2443 S CB 0.402 63.540 63.200 -0.104 0.000 1.058 2443 S HN 0.201 nan 8.310 nan 0.000 0.451 2444 V N 0.878 120.757 119.914 -0.059 0.000 2.881 2444 V HA 0.846 4.966 4.120 0.000 0.000 0.316 2444 V C 0.067 176.139 176.094 -0.037 0.000 1.070 2444 V CA -0.512 61.761 62.300 -0.045 0.000 0.976 2444 V CB 1.284 33.087 31.823 -0.034 0.000 1.038 2444 V HN 1.063 nan 8.190 nan 0.000 0.446 3942 Q N 1.675 121.600 119.800 0.208 0.000 2.119 3942 Q HA -0.087 4.253 4.340 0.000 0.000 0.201 3942 Q C 0.230 176.299 176.000 0.115 0.000 0.972 3942 Q CA 1.406 57.340 55.803 0.219 0.000 0.847 3942 Q CB 0.296 29.112 28.738 0.131 0.000 0.903 3942 Q HN 0.398 nan 8.270 nan 0.000 0.433 3962 P HA 0.153 nan 4.420 nan 0.000 0.217 3962 P C 1.263 178.572 177.300 0.016 0.000 1.153 3962 P CA 1.089 64.201 63.100 0.020 0.000 0.843 3962 P CB 0.352 32.060 31.700 0.013 0.000 0.794 3992 E N 0.088 120.338 120.200 0.084 0.000 2.001 3992 E HA 0.014 4.364 4.350 0.000 0.000 0.193 3992 E C 1.868 178.521 176.600 0.088 0.000 0.994 3992 E CA 1.053 57.497 56.400 0.074 0.000 0.815 3992 E CB -0.344 29.402 29.700 0.076 0.000 0.770 3992 E HN 0.430 nan 8.360 nan 0.000 0.453 3993 F N 2.626 122.573 119.950 -0.006 0.000 2.082 3993 F HA -0.308 4.219 4.527 0.000 0.000 0.298 3993 F C 1.512 177.299 175.800 -0.020 0.000 1.091 3993 F CA 2.355 60.344 58.000 -0.019 0.000 1.230 3993 F CB -0.613 38.373 39.000 -0.023 0.000 0.983 3993 F HN -0.074 nan 8.300 nan 0.000 0.485 4181 L N 0.757 121.867 121.223 -0.188 0.000 2.683 4181 L HA -0.159 4.181 4.340 0.000 0.000 0.236 4181 L C -0.467 175.965 176.870 -0.731 0.000 1.179 4181 L CA 1.345 55.904 54.840 -0.469 0.000 0.822 4181 L CB -0.683 40.958 42.059 -0.697 0.000 0.952 4181 L HN -0.024 nan 8.230 nan 0.000 0.455 4182 F N -0.978 118.858 119.950 -0.189 0.000 2.546 4182 F HA 0.460 4.987 4.527 0.000 0.000 0.320 4182 F C -1.755 173.962 175.800 -0.137 0.000 1.076 4182 F CA -2.735 55.167 58.000 -0.163 0.000 0.928 4182 F CB 0.711 39.593 39.000 -0.196 0.000 1.189 4182 F HN -0.270 nan 8.300 nan 0.000 0.465 4183 P HA 0.192 nan 4.420 nan 0.000 0.272 4183 P C -1.275 175.980 177.300 -0.076 0.000 1.230 4183 P CA -0.244 62.845 63.100 -0.018 0.000 0.788 4183 P CB 1.763 33.455 31.700 -0.015 0.000 0.949 4184 L N 3.530 124.676 121.223 -0.129 0.000 2.377 4184 L HA 0.492 4.832 4.340 0.000 0.000 0.270 4184 L C -2.566 174.198 176.870 -0.178 0.000 0.991 4184 L CA -2.181 52.503 54.840 -0.261 0.000 0.851 4184 L CB 0.804 42.712 42.059 -0.251 0.000 1.218 4184 L HN 0.191 nan 8.230 nan 0.000 0.420 4185 P HA 0.626 nan 4.420 nan 0.000 0.268 4185 P C -0.401 176.889 177.300 -0.017 0.000 1.205 4185 P CA -0.039 63.030 63.100 -0.053 0.000 0.771 4185 P CB 0.866 32.578 31.700 0.019 0.000 0.858 4186 G N -0.954 107.831 108.800 -0.026 0.000 2.352 4186 G HA2 0.415 4.376 3.960 0.000 0.000 0.303 4186 G HA3 0.415 4.376 3.960 0.000 0.000 0.303 4186 G C -1.086 173.698 174.900 -0.193 0.000 1.593 4186 G CA -0.526 44.539 45.100 -0.058 0.000 0.963 4186 G HN 0.582 nan 8.290 nan 0.000 0.685 4187 L N 1.421 122.459 121.223 -0.308 0.000 2.453 4187 L HA 0.759 5.099 4.340 0.000 0.000 0.272 4187 L C 0.168 176.742 176.870 -0.493 0.000 1.182 4187 L CA 0.318 54.956 54.840 -0.336 0.000 0.858 4187 L CB -1.181 40.700 42.059 -0.297 0.000 1.120 4187 L HN 0.863 nan 8.230 nan 0.000 0.474 4188 P HA -0.234 nan 4.420 nan 0.000 0.259 4188 P C 0.892 178.051 177.300 -0.236 0.000 1.200 4188 P CA 1.735 64.713 63.100 -0.203 0.000 1.233 4188 P CB -0.311 31.310 31.700 -0.132 0.000 0.678 4189 G N 0.000 108.756 108.800 -0.074 0.000 5.446 4189 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 4189 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4189 G CA 0.000 45.189 45.100 0.148 0.000 0.502 4189 G HN 0.000 nan 8.290 nan 0.000 0.925