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 3fp2_1_A DATA FIRST_RESID 110 DATA SEQUENCE PDIAQLKGLS PSQRQAYAVQ LKNRGNHFFT AKNFNXAIKY YQYAIELDPN DATA SEQUENCE EPVFYSNISA CYISTGDLEK VIEFTTKALE IKPDHSKALL RRASANESLG DATA SEQUENCE NFTDAMFDLS VLSXXXXXXX XXXXPMLERN LNKQAMKVLN ENLXXXXXXX DATA SEQUENCE SQVLPSNTSL ASFFGIFDSH LEVSSVNTSS NYDTAYALLS DALQRLYSAT DATA SEQUENCE DEGYLVANDL LTKSTDMYHS LLSXXTVDDP LRENAALALC YTGIFHFLKN DATA SEQUENCE NLLDAQVLLQ ESINLHPTPN SYIFLALTLA DKENSQEFFK FFQKAVDLNP DATA SEQUENCE EYPPTYYHRG QMYFILQDYK NAKEDFQKAQ SLNPENVYPY IQLACLLYKQ DATA SEQUENCE GKFTESEAFF NETKLKFPTL PEVPTFFAEI LTDRGDFDTA IKQYDIAKRL DATA SEQUENCE EEVQEKIHVG IGPLIGKATI LARQSSQXXX XLDEEKFNAA IKLLTKACEL DATA SEQUENCE DPRSEQAKIG LAQLKLQMEK IDEAIELFED SAILAXXMDE KLQATTFAEA DATA SEQUENCE AKIQKRLRAD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 110 P HA 0.000 nan 4.420 nan 0.000 0.216 110 P C 0.000 177.070 177.300 -0.384 0.000 1.155 110 P CA 0.000 62.874 63.100 -0.376 0.000 0.800 110 P CB 0.000 31.374 31.700 -0.543 0.000 0.726 111 D N 2.744 122.990 120.400 -0.257 0.000 2.411 111 D HA 0.111 4.751 4.640 -0.001 0.000 0.225 111 D C 1.273 177.443 176.300 -0.215 0.000 1.156 111 D CA -0.657 53.225 54.000 -0.196 0.000 0.874 111 D CB 0.923 41.655 40.800 -0.115 0.000 1.034 111 D HN 0.157 nan 8.370 nan 0.000 0.502 112 I N 1.551 121.997 120.570 -0.207 0.000 2.567 112 I HA -0.260 3.910 4.170 -0.001 0.000 0.257 112 I C 2.352 178.414 176.117 -0.091 0.000 1.184 112 I CA 0.661 61.868 61.300 -0.155 0.000 1.451 112 I CB -1.218 36.747 38.000 -0.059 0.000 1.089 112 I HN 0.487 nan 8.210 nan 0.000 0.441 113 A N 1.002 123.782 122.820 -0.068 0.000 1.863 113 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 113 A C 2.238 179.788 177.584 -0.056 0.000 1.233 113 A CA 1.871 53.881 52.037 -0.046 0.000 0.655 113 A CB -0.699 18.278 19.000 -0.038 0.000 0.839 113 A HN 0.425 nan 8.150 nan 0.000 0.454 114 Q N -0.605 119.148 119.800 -0.078 0.000 2.123 114 Q HA 0.000 4.340 4.340 -0.001 0.000 0.199 114 Q C 2.291 178.240 176.000 -0.087 0.000 0.966 114 Q CA 1.002 56.763 55.803 -0.070 0.000 0.845 114 Q CB -0.413 28.283 28.738 -0.071 0.000 0.907 114 Q HN 0.742 nan 8.270 nan 0.000 0.439 115 L N 0.707 121.831 121.223 -0.164 0.000 2.017 115 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 115 L C 2.333 179.164 176.870 -0.066 0.000 1.073 115 L CA 1.301 56.016 54.840 -0.209 0.000 0.745 115 L CB -0.497 41.307 42.059 -0.425 0.000 0.894 115 L HN 0.185 nan 8.230 nan 0.000 0.432 116 K N -0.051 120.320 120.400 -0.049 0.000 2.286 116 K HA -0.142 4.178 4.320 -0.001 0.000 0.203 116 K C 1.557 178.166 176.600 0.015 0.000 1.045 116 K CA 1.128 57.414 56.287 -0.000 0.000 0.935 116 K CB -0.308 32.194 32.500 0.003 0.000 0.737 116 K HN 0.409 nan 8.250 nan 0.000 0.460 117 G N 0.527 109.331 108.800 0.007 0.000 3.371 117 G HA2 0.190 4.150 3.960 -0.001 0.000 0.248 117 G HA3 0.190 4.150 3.960 -0.001 0.000 0.248 117 G C 0.290 175.208 174.900 0.030 0.000 1.161 117 G CA -0.292 44.818 45.100 0.017 0.000 0.796 117 G HN -0.030 nan 8.290 nan 0.000 0.539 118 L N 0.314 121.566 121.223 0.048 0.000 2.440 118 L HA 0.483 4.822 4.340 -0.001 0.000 0.262 118 L C 1.364 178.274 176.870 0.067 0.000 1.072 118 L CA -0.894 53.990 54.840 0.073 0.000 0.798 118 L CB 1.079 43.218 42.059 0.134 0.000 1.307 118 L HN 0.166 nan 8.230 nan 0.000 0.475 119 S N -0.262 115.476 115.700 0.064 0.000 2.606 119 S HA 0.173 4.643 4.470 -0.001 0.000 0.257 119 S C -1.928 172.707 174.600 0.058 0.000 1.327 119 S CA -0.792 57.439 58.200 0.051 0.000 0.984 119 S CB 0.671 63.894 63.200 0.039 0.000 0.941 119 S HN 0.415 nan 8.310 nan 0.000 0.576 120 P HA 0.002 nan 4.420 nan 0.000 0.220 120 P C 1.747 179.079 177.300 0.054 0.000 1.152 120 P CA 1.319 64.452 63.100 0.054 0.000 0.812 120 P CB -0.270 31.457 31.700 0.044 0.000 0.792 121 S N -0.417 115.307 115.700 0.039 0.000 2.383 121 S HA -0.189 4.281 4.470 -0.001 0.000 0.227 121 S C 2.057 176.673 174.600 0.026 0.000 1.026 121 S CA 0.958 59.175 58.200 0.028 0.000 0.981 121 S CB -1.262 61.946 63.200 0.014 0.000 0.818 121 S HN 0.167 nan 8.310 nan 0.000 0.472 122 Q N 0.454 120.276 119.800 0.035 0.000 2.187 122 Q HA 0.158 4.497 4.340 -0.001 0.000 0.199 122 Q C 2.550 178.627 176.000 0.129 0.000 0.957 122 Q CA 0.651 56.472 55.803 0.030 0.000 0.857 122 Q CB -0.072 28.701 28.738 0.059 0.000 0.929 122 Q HN 0.534 nan 8.270 nan 0.000 0.453 123 R N 0.282 120.875 120.500 0.156 0.000 2.090 123 R HA -0.150 4.189 4.340 -0.001 0.000 0.228 123 R C 2.251 178.664 176.300 0.188 0.000 1.110 123 R CA 1.363 57.583 56.100 0.201 0.000 0.973 123 R CB -0.023 30.356 30.300 0.132 0.000 0.869 123 R HN 0.164 nan 8.270 nan 0.000 0.440 124 Q N 0.781 120.660 119.800 0.132 0.000 2.083 124 Q HA -0.037 4.303 4.340 -0.001 0.000 0.198 124 Q C 1.850 177.920 176.000 0.116 0.000 0.969 124 Q CA 1.847 57.728 55.803 0.131 0.000 0.838 124 Q CB -0.197 28.599 28.738 0.097 0.000 0.900 124 Q HN 0.262 nan 8.270 nan 0.000 0.436 125 A N -0.427 122.423 122.820 0.051 0.000 1.908 125 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 125 A C 1.852 179.421 177.584 -0.024 0.000 1.181 125 A CA 1.607 53.628 52.037 -0.026 0.000 0.627 125 A CB -1.081 17.843 19.000 -0.128 0.000 0.818 125 A HN 0.567 nan 8.150 nan 0.000 0.445 126 Y N -0.138 120.183 120.300 0.034 0.000 2.224 126 Y HA -0.070 4.480 4.550 -0.001 0.000 0.289 126 Y C 2.880 178.797 175.900 0.029 0.000 1.146 126 Y CA 0.556 58.668 58.100 0.021 0.000 1.182 126 Y CB -0.639 37.826 38.460 0.008 0.000 0.983 126 Y HN 0.346 nan 8.280 nan 0.000 0.524 127 A N -0.534 122.414 122.820 0.215 0.000 1.883 127 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 127 A C 2.436 180.108 177.584 0.147 0.000 1.186 127 A CA 2.124 54.255 52.037 0.157 0.000 0.624 127 A CB -1.253 17.920 19.000 0.288 0.000 0.822 127 A HN 0.225 nan 8.150 nan 0.000 0.444 128 V N 0.381 120.399 119.914 0.173 0.000 2.407 128 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 128 V C 2.759 178.906 176.094 0.089 0.000 1.055 128 V CA 2.314 64.702 62.300 0.146 0.000 1.049 128 V CB -0.752 31.131 31.823 0.099 0.000 0.662 128 V HN 0.782 nan 8.190 nan 0.000 0.455 129 Q N -0.182 119.659 119.800 0.069 0.000 2.046 129 Q HA -0.166 4.174 4.340 -0.001 0.000 0.200 129 Q C 2.291 178.317 176.000 0.043 0.000 0.975 129 Q CA 1.757 57.586 55.803 0.043 0.000 0.836 129 Q CB -0.116 28.649 28.738 0.045 0.000 0.896 129 Q HN 0.621 nan 8.270 nan 0.000 0.428 130 L N 0.934 122.216 121.223 0.097 0.000 2.017 130 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 130 L C 2.836 179.752 176.870 0.077 0.000 1.073 130 L CA 1.566 56.487 54.840 0.134 0.000 0.745 130 L CB -0.652 41.518 42.059 0.185 0.000 0.894 130 L HN 0.227 nan 8.230 nan 0.000 0.432 131 K N 0.403 120.815 120.400 0.021 0.000 2.059 131 K HA -0.244 4.076 4.320 -0.001 0.000 0.212 131 K C 1.992 178.691 176.600 0.164 0.000 1.050 131 K CA 1.865 58.226 56.287 0.122 0.000 0.927 131 K CB -0.114 32.489 32.500 0.173 0.000 0.714 131 K HN 0.335 nan 8.250 nan 0.000 0.447 132 N N 0.686 119.432 118.700 0.076 0.000 2.166 132 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 132 N C 1.861 177.324 175.510 -0.077 0.000 1.019 132 N CA 1.094 54.161 53.050 0.027 0.000 0.856 132 N CB -0.132 38.357 38.487 0.004 0.000 0.993 132 N HN 0.286 nan 8.380 nan 0.000 0.426 133 R N 0.304 120.681 120.500 -0.205 0.000 2.083 133 R HA -0.090 4.249 4.340 -0.001 0.000 0.237 133 R C 2.402 178.462 176.300 -0.400 0.000 1.137 133 R CA 1.375 57.192 56.100 -0.471 0.000 0.951 133 R CB -0.778 29.023 30.300 -0.832 0.000 0.851 133 R HN 0.221 nan 8.270 nan 0.000 0.434 134 G N 1.724 110.371 108.800 -0.255 0.000 2.476 134 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.218 134 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.218 134 G C 1.178 176.017 174.900 -0.101 0.000 1.164 134 G CA 1.109 46.001 45.100 -0.346 0.000 0.768 134 G HN 0.262 nan 8.290 nan 0.000 0.560 135 N N 0.167 118.935 118.700 0.113 0.000 2.104 135 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 135 N C 1.809 177.405 175.510 0.144 0.000 1.024 135 N CA 1.473 54.659 53.050 0.227 0.000 0.853 135 N CB -0.746 37.854 38.487 0.189 0.000 1.008 135 N HN 0.630 nan 8.380 nan 0.000 0.424 136 H N 0.151 119.149 119.070 -0.120 0.000 2.289 136 H HA -0.122 4.434 4.556 -0.001 0.000 0.296 136 H C 1.603 176.795 175.328 -0.226 0.000 1.091 136 H CA 1.963 57.859 56.048 -0.252 0.000 1.274 136 H CB -0.440 29.023 29.762 -0.497 0.000 1.364 136 H HN 0.089 nan 8.280 nan 0.000 0.490 137 F N -0.498 119.394 119.950 -0.098 0.000 2.126 137 F HA -0.126 4.400 4.527 -0.001 0.000 0.299 137 F C 2.455 178.142 175.800 -0.188 0.000 1.096 137 F CA 1.267 59.165 58.000 -0.171 0.000 1.255 137 F CB -1.209 37.740 39.000 -0.084 0.000 0.997 137 F HN 0.249 nan 8.300 nan 0.000 0.479 138 F N 0.743 120.699 119.950 0.010 0.000 2.171 138 F HA -0.219 4.308 4.527 -0.001 0.000 0.300 138 F C 2.341 178.107 175.800 -0.057 0.000 1.090 138 F CA 1.976 59.997 58.000 0.034 0.000 1.293 138 F CB -0.832 38.311 39.000 0.239 0.000 1.013 138 F HN -0.164 nan 8.300 nan 0.000 0.486 139 T N 0.112 114.667 114.554 0.000 0.000 2.951 139 T HA 0.017 4.367 4.350 -0.001 0.000 0.268 139 T C 1.711 176.256 174.700 -0.258 0.000 1.073 139 T CA 0.986 63.021 62.100 -0.107 0.000 1.134 139 T CB -0.431 68.435 68.868 -0.003 0.000 0.884 139 T HN 0.324 nan 8.240 nan 0.000 0.479 140 A N 1.016 123.641 122.820 -0.326 0.000 2.327 140 A HA 0.213 4.532 4.320 -0.001 0.000 0.228 140 A C 0.896 178.250 177.584 -0.382 0.000 1.275 140 A CA -0.062 51.786 52.037 -0.316 0.000 0.875 140 A CB -0.283 18.528 19.000 -0.314 0.000 0.925 140 A HN 0.359 nan 8.150 nan 0.000 0.493 141 K N -0.443 119.585 120.400 -0.621 0.000 3.048 141 K HA -0.204 4.115 4.320 -0.001 0.000 0.274 141 K C -0.151 175.778 176.600 -1.119 0.000 1.098 141 K CA 1.018 56.667 56.287 -1.062 0.000 0.807 141 K CB -1.857 30.357 32.500 -0.476 0.000 1.217 141 K HN 0.601 nan 8.250 nan 0.000 0.477 142 N N 0.724 118.984 118.700 -0.733 0.000 3.229 142 N HA 0.161 4.901 4.740 -0.001 0.000 0.275 142 N C 0.545 175.843 175.510 -0.352 0.000 1.225 142 N CA -0.406 52.385 53.050 -0.432 0.000 1.119 142 N CB -0.224 38.151 38.487 -0.187 0.000 1.392 142 N HN -0.001 nan 8.380 nan 0.000 0.520 143 F N -0.034 119.895 119.950 -0.035 0.000 2.234 143 F HA 0.019 4.545 4.527 -0.001 0.000 0.299 143 F C 1.370 177.122 175.800 -0.080 0.000 1.087 143 F CA 0.347 58.338 58.000 -0.016 0.000 1.340 143 F CB -0.449 38.540 39.000 -0.018 0.000 1.031 143 F HN 0.232 nan 8.300 nan 0.000 0.500 147 I N 1.273 121.751 120.570 -0.153 0.000 2.208 147 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 147 I C 2.412 178.409 176.117 -0.200 0.000 1.097 147 I CA 1.965 63.179 61.300 -0.144 0.000 1.363 147 I CB -0.088 37.781 38.000 -0.218 0.000 1.051 147 I HN 0.470 nan 8.210 nan 0.000 0.413 148 K N 0.360 120.600 120.400 -0.266 0.000 2.063 148 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 148 K C 2.253 178.505 176.600 -0.580 0.000 1.048 148 K CA 1.820 57.827 56.287 -0.468 0.000 0.928 148 K CB -0.169 32.033 32.500 -0.496 0.000 0.713 148 K HN 0.225 nan 8.250 nan 0.000 0.442 149 Y N -0.275 119.865 120.300 -0.268 0.000 2.263 149 Y HA -0.194 4.356 4.550 -0.001 0.000 0.292 149 Y C 2.107 177.937 175.900 -0.115 0.000 1.130 149 Y CA 1.337 59.391 58.100 -0.078 0.000 1.179 149 Y CB -0.340 38.088 38.460 -0.054 0.000 0.998 149 Y HN 0.094 nan 8.280 nan 0.000 0.532 150 Y N 0.010 120.310 120.300 0.001 0.000 2.165 150 Y HA -0.281 4.269 4.550 -0.001 0.000 0.286 150 Y C 2.416 178.188 175.900 -0.213 0.000 1.155 150 Y CA 0.944 58.945 58.100 -0.165 0.000 1.164 150 Y CB -1.065 37.311 38.460 -0.140 0.000 0.978 150 Y HN 0.144 nan 8.280 nan 0.000 0.513 151 Q N -0.807 118.962 119.800 -0.051 0.000 2.061 151 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 151 Q C 2.159 178.132 176.000 -0.045 0.000 0.984 151 Q CA 1.630 57.381 55.803 -0.087 0.000 0.846 151 Q CB -1.035 27.600 28.738 -0.171 0.000 0.902 151 Q HN 0.539 nan 8.270 nan 0.000 0.421 152 Y N 0.652 120.891 120.300 -0.102 0.000 2.139 152 Y HA -0.249 4.301 4.550 -0.001 0.000 0.282 152 Y C 2.453 178.286 175.900 -0.111 0.000 1.179 152 Y CA 0.976 59.010 58.100 -0.109 0.000 1.161 152 Y CB -1.040 37.336 38.460 -0.140 0.000 0.970 152 Y HN 0.164 nan 8.280 nan 0.000 0.511 153 A N -0.203 122.584 122.820 -0.055 0.000 1.898 153 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 153 A C 2.335 179.822 177.584 -0.162 0.000 1.181 153 A CA 1.498 53.317 52.037 -0.363 0.000 0.620 153 A CB -1.037 17.257 19.000 -1.177 0.000 0.819 153 A HN 0.425 nan 8.150 nan 0.000 0.442 154 I N -0.035 120.502 120.570 -0.056 0.000 2.208 154 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 154 I C 2.348 178.552 176.117 0.144 0.000 1.097 154 I CA 1.559 62.931 61.300 0.120 0.000 1.363 154 I CB -0.375 37.633 38.000 0.013 0.000 1.051 154 I HN 0.417 nan 8.210 nan 0.000 0.413 155 E N 0.335 120.598 120.200 0.105 0.000 2.265 155 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 155 E C 2.105 178.767 176.600 0.104 0.000 0.996 155 E CA 1.013 57.476 56.400 0.105 0.000 0.832 155 E CB 0.025 29.785 29.700 0.099 0.000 0.756 155 E HN 0.554 nan 8.360 nan 0.000 0.491 156 L N -0.302 120.990 121.223 0.115 0.000 2.470 156 L HA 0.125 4.465 4.340 -0.001 0.000 0.219 156 L C 0.422 177.399 176.870 0.179 0.000 1.071 156 L CA 0.188 55.104 54.840 0.126 0.000 0.850 156 L CB 0.693 42.822 42.059 0.117 0.000 1.040 156 L HN -0.092 nan 8.230 nan 0.000 0.475 157 D N -0.451 120.103 120.400 0.257 0.000 2.527 157 D HA 0.154 4.793 4.640 -0.001 0.000 0.242 157 D C -2.099 174.396 176.300 0.326 0.000 1.285 157 D CA -1.251 52.930 54.000 0.302 0.000 0.886 157 D CB 1.438 42.479 40.800 0.402 0.000 1.402 157 D HN -0.143 nan 8.370 nan 0.000 0.528 158 P HA 0.100 nan 4.420 nan 0.000 0.249 158 P C 0.270 177.753 177.300 0.304 0.000 1.229 158 P CA 0.273 63.559 63.100 0.311 0.000 0.788 158 P CB 0.247 32.101 31.700 0.256 0.000 1.072 159 N N -0.065 118.739 118.700 0.174 0.000 2.268 159 N HA 0.016 4.755 4.740 -0.001 0.000 0.204 159 N C 0.043 175.571 175.510 0.029 0.000 1.124 159 N CA -0.073 53.037 53.050 0.100 0.000 0.838 159 N CB 0.142 38.666 38.487 0.061 0.000 0.994 159 N HN -0.003 nan 8.380 nan 0.000 0.489 160 E N 1.451 121.627 120.200 -0.041 0.000 2.073 160 E HA 0.188 4.538 4.350 -0.001 0.000 0.269 160 E C -1.921 174.552 176.600 -0.211 0.000 0.917 160 E CA -2.644 53.566 56.400 -0.316 0.000 0.757 160 E CB 1.142 30.301 29.700 -0.900 0.000 1.111 160 E HN -0.010 nan 8.360 nan 0.000 0.410 161 P HA -0.104 nan 4.420 nan 0.000 0.226 161 P C 1.180 178.395 177.300 -0.142 0.000 1.153 161 P CA 0.336 63.430 63.100 -0.009 0.000 0.777 161 P CB 0.402 32.030 31.700 -0.119 0.000 0.794 162 V N -0.645 119.123 119.914 -0.244 0.000 2.490 162 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 162 V C 2.263 178.273 176.094 -0.141 0.000 1.061 162 V CA 1.709 63.898 62.300 -0.184 0.000 1.064 162 V CB -1.283 30.468 31.823 -0.118 0.000 0.670 162 V HN -0.075 nan 8.190 nan 0.000 0.461 163 F N -0.617 119.205 119.950 -0.215 0.000 2.113 163 F HA -0.093 4.434 4.527 -0.001 0.000 0.297 163 F C 2.271 177.819 175.800 -0.420 0.000 1.103 163 F CA 0.889 58.659 58.000 -0.383 0.000 1.248 163 F CB -1.628 37.158 39.000 -0.356 0.000 0.999 163 F HN 0.221 nan 8.300 nan 0.000 0.475 164 Y N -0.493 119.862 120.300 0.093 0.000 2.200 164 Y HA -0.165 4.385 4.550 -0.001 0.000 0.290 164 Y C 2.851 178.775 175.900 0.040 0.000 1.137 164 Y CA 1.437 59.632 58.100 0.158 0.000 1.163 164 Y CB -1.218 37.346 38.460 0.174 0.000 0.988 164 Y HN 0.043 nan 8.280 nan 0.000 0.518 165 S N 0.142 115.872 115.700 0.049 0.000 2.368 165 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 165 S C 1.933 176.470 174.600 -0.105 0.000 1.030 165 S CA 1.606 59.781 58.200 -0.042 0.000 0.999 165 S CB -0.355 62.741 63.200 -0.172 0.000 0.844 165 S HN 0.446 nan 8.310 nan 0.000 0.459 166 N N 1.494 120.032 118.700 -0.271 0.000 2.120 166 N HA 0.040 4.779 4.740 -0.001 0.000 0.188 166 N C 1.692 176.954 175.510 -0.414 0.000 1.024 166 N CA 1.419 54.149 53.050 -0.533 0.000 0.852 166 N CB -0.553 37.263 38.487 -1.118 0.000 1.003 166 N HN 0.455 nan 8.380 nan 0.000 0.424 167 I N 0.600 120.960 120.570 -0.349 0.000 2.208 167 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 167 I C 2.243 178.240 176.117 -0.201 0.000 1.097 167 I CA 1.298 62.427 61.300 -0.284 0.000 1.363 167 I CB -0.329 37.327 38.000 -0.573 0.000 1.051 167 I HN 0.208 nan 8.210 nan 0.000 0.413 168 S N 1.019 116.724 115.700 0.009 0.000 2.423 168 S HA -0.070 4.399 4.470 -0.001 0.000 0.231 168 S C 2.143 176.806 174.600 0.104 0.000 1.014 168 S CA 0.753 59.062 58.200 0.182 0.000 0.965 168 S CB -0.324 63.020 63.200 0.240 0.000 0.785 168 S HN 0.389 nan 8.310 nan 0.000 0.495 169 A N 0.685 123.510 122.820 0.009 0.000 1.969 169 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 169 A C 2.416 180.085 177.584 0.142 0.000 1.169 169 A CA 1.231 53.292 52.037 0.041 0.000 0.635 169 A CB -1.414 17.507 19.000 -0.132 0.000 0.810 169 A HN 0.719 nan 8.150 nan 0.000 0.445 170 C N -2.036 117.311 119.300 0.079 0.000 2.446 170 C HA -0.084 4.376 4.460 -0.001 0.000 0.277 170 C C 2.413 177.273 174.990 -0.216 0.000 1.275 170 C CA 0.794 59.813 59.018 0.001 0.000 1.727 170 C CB -1.610 26.113 27.740 -0.027 0.000 2.010 170 C HN 0.708 nan 8.230 nan 0.000 0.486 171 Y N 0.437 120.724 120.300 -0.021 0.000 2.373 171 Y HA 0.010 4.560 4.550 -0.001 0.000 0.293 171 Y C 2.476 178.348 175.900 -0.048 0.000 1.129 171 Y CA 0.409 58.492 58.100 -0.027 0.000 1.226 171 Y CB -0.637 37.841 38.460 0.031 0.000 1.000 171 Y HN 0.227 nan 8.280 nan 0.000 0.549 172 I N -0.906 119.727 120.570 0.104 0.000 2.179 172 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 172 I C 2.162 178.242 176.117 -0.062 0.000 1.088 172 I CA 1.434 62.759 61.300 0.042 0.000 1.357 172 I CB -1.132 36.905 38.000 0.062 0.000 1.051 172 I HN 0.103 nan 8.210 nan 0.000 0.409 173 S N 0.290 115.858 115.700 -0.221 0.000 2.399 173 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 173 S C 1.818 176.170 174.600 -0.414 0.000 1.022 173 S CA 1.836 59.741 58.200 -0.492 0.000 0.983 173 S CB -0.365 62.038 63.200 -1.328 0.000 0.803 173 S HN 0.680 nan 8.310 nan 0.000 0.480 174 T N -2.183 112.202 114.554 -0.281 0.000 3.060 174 T HA 0.436 4.786 4.350 -0.001 0.000 0.249 174 T C 1.383 176.087 174.700 0.006 0.000 1.079 174 T CA 0.745 62.794 62.100 -0.085 0.000 1.013 174 T CB 0.318 69.193 68.868 0.012 0.000 0.975 174 T HN 0.518 nan 8.240 nan 0.000 0.518 175 G N 1.546 110.352 108.800 0.010 0.000 2.143 175 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.249 175 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.249 175 G C -0.134 174.790 174.900 0.040 0.000 0.981 175 G CA 0.028 45.143 45.100 0.026 0.000 0.665 175 G HN 0.616 nan 8.290 nan 0.000 0.528 176 D N 0.869 121.315 120.400 0.077 0.000 2.508 176 D HA 0.359 4.999 4.640 -0.001 0.000 0.224 176 D C 2.017 178.305 176.300 -0.019 0.000 1.171 176 D CA -0.343 53.662 54.000 0.007 0.000 1.006 176 D CB -0.293 40.469 40.800 -0.064 0.000 1.073 176 D HN 0.337 nan 8.370 nan 0.000 0.513 177 L N 1.827 123.046 121.223 -0.007 0.000 2.083 177 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 177 L C 1.918 178.775 176.870 -0.021 0.000 1.083 177 L CA 1.010 55.850 54.840 0.001 0.000 0.752 177 L CB -0.108 41.949 42.059 -0.002 0.000 0.899 177 L HN 0.215 nan 8.230 nan 0.000 0.433 178 E N -0.147 120.022 120.200 -0.052 0.000 2.106 178 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 178 E C 2.147 178.696 176.600 -0.086 0.000 0.984 178 E CA 0.733 57.094 56.400 -0.066 0.000 0.806 178 E CB 0.003 29.659 29.700 -0.073 0.000 0.750 178 E HN 0.162 nan 8.360 nan 0.000 0.458 179 K N 0.297 120.599 120.400 -0.163 0.000 2.103 179 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 179 K C 2.107 178.760 176.600 0.089 0.000 1.052 179 K CA 0.522 56.679 56.287 -0.217 0.000 0.945 179 K CB -0.493 31.415 32.500 -0.987 0.000 0.722 179 K HN 0.075 nan 8.250 nan 0.000 0.443 180 V N 2.238 122.210 119.914 0.096 0.000 2.287 180 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 180 V C 2.360 178.541 176.094 0.144 0.000 1.053 180 V CA 1.490 63.907 62.300 0.195 0.000 1.027 180 V CB -0.409 31.494 31.823 0.132 0.000 0.646 180 V HN 0.175 nan 8.190 nan 0.000 0.447 181 I N 0.028 120.634 120.570 0.060 0.000 2.226 181 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 181 I C 2.575 178.685 176.117 -0.011 0.000 1.100 181 I CA 2.012 63.324 61.300 0.020 0.000 1.374 181 I CB -1.045 36.945 38.000 -0.017 0.000 1.057 181 I HN 0.545 nan 8.210 nan 0.000 0.413 182 E N 0.905 121.075 120.200 -0.050 0.000 2.051 182 E HA -0.236 4.114 4.350 -0.001 0.000 0.192 182 E C 2.297 178.746 176.600 -0.252 0.000 0.991 182 E CA 1.545 57.831 56.400 -0.190 0.000 0.799 182 E CB -0.110 29.416 29.700 -0.291 0.000 0.748 182 E HN 0.357 nan 8.360 nan 0.000 0.449 183 F N 0.773 120.765 119.950 0.070 0.000 2.187 183 F HA -0.089 4.438 4.527 -0.001 0.000 0.295 183 F C 2.860 178.710 175.800 0.084 0.000 1.091 183 F CA 1.603 59.685 58.000 0.137 0.000 1.308 183 F CB -0.653 38.491 39.000 0.240 0.000 1.030 183 F HN 0.153 nan 8.300 nan 0.000 0.487 184 T N -3.261 111.418 114.554 0.209 0.000 2.788 184 T HA -0.180 4.170 4.350 -0.001 0.000 0.268 184 T C 1.915 176.631 174.700 0.027 0.000 1.044 184 T CA 1.887 64.052 62.100 0.108 0.000 1.139 184 T CB -1.091 67.837 68.868 0.099 0.000 0.867 184 T HN 0.172 nan 8.240 nan 0.000 0.454 185 T N 2.020 116.567 114.554 -0.012 0.000 2.684 185 T HA -0.065 4.284 4.350 -0.001 0.000 0.267 185 T C 1.978 176.599 174.700 -0.132 0.000 1.036 185 T CA 1.477 63.536 62.100 -0.068 0.000 1.148 185 T CB -0.271 68.543 68.868 -0.089 0.000 0.863 185 T HN 0.517 nan 8.240 nan 0.000 0.436 186 K N 1.225 121.503 120.400 -0.203 0.000 2.063 186 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 186 K C 2.735 179.090 176.600 -0.408 0.000 1.048 186 K CA 1.257 57.314 56.287 -0.383 0.000 0.928 186 K CB -0.396 31.766 32.500 -0.563 0.000 0.713 186 K HN 0.305 nan 8.250 nan 0.000 0.442 187 A N 1.591 124.292 122.820 -0.200 0.000 1.892 187 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 187 A C 2.136 179.642 177.584 -0.131 0.000 1.188 187 A CA 1.512 53.467 52.037 -0.137 0.000 0.631 187 A CB -0.705 18.221 19.000 -0.124 0.000 0.822 187 A HN 0.192 nan 8.150 nan 0.000 0.447 188 L N -1.102 120.072 121.223 -0.082 0.000 2.240 188 L HA -0.099 4.241 4.340 -0.001 0.000 0.211 188 L C 2.380 179.224 176.870 -0.044 0.000 1.106 188 L CA 0.994 55.817 54.840 -0.029 0.000 0.793 188 L CB -0.442 41.623 42.059 0.010 0.000 0.927 188 L HN 0.453 nan 8.230 nan 0.000 0.446 189 E N 0.312 120.458 120.200 -0.090 0.000 2.204 189 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 189 E C 2.164 178.714 176.600 -0.084 0.000 0.989 189 E CA 0.937 57.283 56.400 -0.090 0.000 0.824 189 E CB 0.070 29.695 29.700 -0.125 0.000 0.756 189 E HN 0.513 nan 8.360 nan 0.000 0.477 190 I N 0.328 120.836 120.570 -0.103 0.000 2.235 190 I HA -0.122 4.047 4.170 -0.001 0.000 0.241 190 I C 1.344 177.444 176.117 -0.029 0.000 1.085 190 I CA 0.824 62.083 61.300 -0.068 0.000 1.378 190 I CB 0.300 38.256 38.000 -0.073 0.000 1.076 190 I HN -0.172 nan 8.210 nan 0.000 0.415 191 K N 1.128 121.518 120.400 -0.017 0.000 2.701 191 K HA 0.275 4.595 4.320 -0.001 0.000 0.212 191 K C -2.267 174.362 176.600 0.048 0.000 1.035 191 K CA -1.541 54.762 56.287 0.026 0.000 1.048 191 K CB 1.370 33.906 32.500 0.059 0.000 1.234 191 K HN -0.214 nan 8.250 nan 0.000 0.540 192 P HA -0.134 nan 4.420 nan 0.000 0.228 192 P C -0.030 177.305 177.300 0.059 0.000 1.151 192 P CA 0.995 64.122 63.100 0.045 0.000 0.770 192 P CB 0.148 31.870 31.700 0.037 0.000 0.786 193 D N -2.973 117.463 120.400 0.059 0.000 2.402 193 D HA -0.039 4.600 4.640 -0.001 0.000 0.216 193 D C 0.139 176.475 176.300 0.060 0.000 1.128 193 D CA -0.497 53.530 54.000 0.045 0.000 0.833 193 D CB -1.451 39.361 40.800 0.019 0.000 0.971 193 D HN 0.187 nan 8.370 nan 0.000 0.503 194 H N 0.773 119.845 119.070 0.004 0.000 3.138 194 H HA 0.125 4.680 4.556 -0.001 0.000 0.275 194 H C 1.027 176.359 175.328 0.008 0.000 0.997 194 H CA 0.291 56.341 56.048 0.004 0.000 1.460 194 H CB 0.880 30.646 29.762 0.007 0.000 1.524 194 H HN -0.194 nan 8.280 nan 0.000 0.532 195 S N 4.058 119.617 115.700 -0.234 0.000 2.356 195 S HA -0.147 4.322 4.470 -0.001 0.000 0.223 195 S C 1.834 176.413 174.600 -0.036 0.000 1.032 195 S CA 1.228 59.361 58.200 -0.111 0.000 1.005 195 S CB 0.048 63.170 63.200 -0.130 0.000 0.867 195 S HN 0.681 nan 8.310 nan 0.000 0.449 196 K N 1.224 121.580 120.400 -0.074 0.000 2.097 196 K HA 0.045 4.364 4.320 -0.001 0.000 0.205 196 K C 2.384 179.096 176.600 0.188 0.000 1.050 196 K CA 1.061 57.395 56.287 0.078 0.000 0.938 196 K CB -0.290 32.266 32.500 0.094 0.000 0.718 196 K HN 0.320 nan 8.250 nan 0.000 0.442 197 A N 1.542 124.592 122.820 0.384 0.000 1.933 197 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 197 A C 2.131 179.802 177.584 0.146 0.000 1.175 197 A CA 1.217 53.388 52.037 0.224 0.000 0.628 197 A CB -0.566 18.529 19.000 0.158 0.000 0.814 197 A HN 0.145 nan 8.150 nan 0.000 0.444 198 L N -1.294 120.011 121.223 0.137 0.000 2.027 198 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 198 L C 2.538 179.456 176.870 0.080 0.000 1.074 198 L CA 1.164 56.061 54.840 0.095 0.000 0.745 198 L CB -0.393 41.709 42.059 0.073 0.000 0.898 198 L HN 0.470 nan 8.230 nan 0.000 0.433 199 L N -0.307 120.958 121.223 0.070 0.000 2.093 199 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 199 L C 2.654 179.566 176.870 0.069 0.000 1.085 199 L CA 1.591 56.467 54.840 0.060 0.000 0.755 199 L CB -0.431 41.656 42.059 0.046 0.000 0.904 199 L HN 0.063 nan 8.230 nan 0.000 0.435 200 R N -0.970 119.578 120.500 0.081 0.000 2.075 200 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 200 R C 2.473 178.822 176.300 0.081 0.000 1.126 200 R CA 1.406 57.557 56.100 0.084 0.000 0.963 200 R CB -0.357 30.001 30.300 0.095 0.000 0.858 200 R HN 0.331 nan 8.270 nan 0.000 0.435 201 R N 0.484 121.033 120.500 0.083 0.000 2.092 201 R HA -0.071 4.269 4.340 -0.001 0.000 0.231 201 R C 2.062 178.402 176.300 0.067 0.000 1.119 201 R CA 1.394 57.537 56.100 0.072 0.000 0.970 201 R CB -0.147 30.195 30.300 0.071 0.000 0.864 201 R HN 0.203 nan 8.270 nan 0.000 0.440 202 A N -0.056 122.809 122.820 0.075 0.000 1.933 202 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 202 A C 2.137 179.766 177.584 0.075 0.000 1.175 202 A CA 1.863 53.947 52.037 0.078 0.000 0.628 202 A CB -0.609 18.438 19.000 0.078 0.000 0.814 202 A HN 0.465 nan 8.150 nan 0.000 0.444 203 S N -0.320 115.421 115.700 0.070 0.000 2.355 203 S HA 0.009 4.479 4.470 -0.001 0.000 0.222 203 S C 2.183 176.820 174.600 0.061 0.000 1.031 203 S CA 1.517 59.757 58.200 0.067 0.000 0.993 203 S CB -0.474 62.764 63.200 0.063 0.000 0.859 203 S HN 0.805 nan 8.310 nan 0.000 0.453 204 A N 2.026 124.878 122.820 0.055 0.000 1.930 204 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 204 A C 2.100 179.694 177.584 0.017 0.000 1.175 204 A CA 1.573 53.634 52.037 0.039 0.000 0.627 204 A CB -0.875 18.151 19.000 0.043 0.000 0.815 204 A HN 0.614 nan 8.150 nan 0.000 0.443 205 N N -0.235 118.475 118.700 0.017 0.000 2.120 205 N HA -0.178 4.562 4.740 -0.001 0.000 0.188 205 N C 1.760 177.249 175.510 -0.035 0.000 1.024 205 N CA 1.541 54.581 53.050 -0.018 0.000 0.852 205 N CB -0.345 38.141 38.487 -0.002 0.000 1.003 205 N HN 0.783 nan 8.380 nan 0.000 0.424 206 E N 0.655 120.889 120.200 0.058 0.000 2.058 206 E HA -0.116 4.234 4.350 -0.001 0.000 0.194 206 E C 1.634 178.304 176.600 0.117 0.000 0.997 206 E CA 1.344 57.841 56.400 0.162 0.000 0.801 206 E CB 0.059 29.885 29.700 0.211 0.000 0.746 206 E HN 0.149 nan 8.360 nan 0.000 0.450 207 S N 0.410 116.151 115.700 0.068 0.000 2.400 207 S HA -0.118 4.351 4.470 -0.001 0.000 0.232 207 S C 1.803 176.397 174.600 -0.009 0.000 1.025 207 S CA 0.955 59.182 58.200 0.045 0.000 0.993 207 S CB -0.130 63.091 63.200 0.035 0.000 0.808 207 S HN 0.296 nan 8.310 nan 0.000 0.478 208 L N 0.309 121.495 121.223 -0.061 0.000 2.558 208 L HA 0.206 4.545 4.340 -0.001 0.000 0.225 208 L C 1.648 178.393 176.870 -0.207 0.000 1.128 208 L CA 0.422 55.202 54.840 -0.101 0.000 0.868 208 L CB -0.306 41.698 42.059 -0.092 0.000 1.006 208 L HN 0.499 nan 8.230 nan 0.000 0.454 209 G N 0.434 109.018 108.800 -0.360 0.000 2.132 209 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.234 209 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.234 209 G C -0.025 174.219 174.900 -1.093 0.000 0.989 209 G CA 0.006 44.576 45.100 -0.883 0.000 0.676 209 G HN 0.542 nan 8.290 nan 0.000 0.522 210 N N 0.768 119.095 118.700 -0.621 0.000 3.188 210 N HA 0.474 5.213 4.740 -0.001 0.000 0.279 210 N C 0.969 176.322 175.510 -0.263 0.000 1.213 210 N CA -0.685 52.136 53.050 -0.381 0.000 1.138 210 N CB 0.036 38.414 38.487 -0.182 0.000 1.417 210 N HN 0.185 nan 8.380 nan 0.000 0.526 211 F N 0.116 120.072 119.950 0.011 0.000 2.234 211 F HA -0.130 4.396 4.527 -0.000 0.000 0.299 211 F C 2.747 178.565 175.800 0.030 0.000 1.087 211 F CA 0.701 58.711 58.000 0.017 0.000 1.340 211 F CB -1.001 38.003 39.000 0.007 0.000 1.031 211 F HN 0.344 nan 8.300 nan 0.000 0.500 212 T N -2.693 111.959 114.554 0.163 0.000 2.812 212 T HA -0.134 4.216 4.350 -0.001 0.000 0.264 212 T C 1.554 176.333 174.700 0.132 0.000 1.042 212 T CA 1.395 63.574 62.100 0.132 0.000 1.140 212 T CB -0.523 68.397 68.868 0.086 0.000 0.870 212 T HN 0.075 nan 8.240 nan 0.000 0.445 213 D N 2.179 122.622 120.400 0.071 0.000 2.117 213 D HA 0.023 4.663 4.640 -0.001 0.000 0.197 213 D C 2.498 178.880 176.300 0.136 0.000 0.987 213 D CA 1.480 55.521 54.000 0.068 0.000 0.829 213 D CB -0.742 40.053 40.800 -0.009 0.000 0.961 213 D HN 0.563 nan 8.370 nan 0.000 0.460 214 A N 1.012 123.903 122.820 0.118 0.000 1.851 214 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 214 A C 2.321 179.990 177.584 0.141 0.000 1.195 214 A CA 1.679 53.794 52.037 0.130 0.000 0.622 214 A CB -0.744 18.348 19.000 0.153 0.000 0.831 214 A HN 0.133 nan 8.150 nan 0.000 0.444 215 M N -2.158 117.531 119.600 0.149 0.000 2.108 215 M HA -0.190 4.290 4.480 -0.001 0.000 0.257 215 M C 2.145 178.518 176.300 0.121 0.000 1.071 215 M CA 2.123 57.493 55.300 0.118 0.000 1.093 215 M CB -0.465 32.204 32.600 0.115 0.000 1.345 215 M HN 0.572 nan 8.290 nan 0.000 0.403 216 F N 1.330 121.300 119.950 0.033 0.000 2.075 216 F HA -0.277 4.250 4.527 -0.001 0.000 0.297 216 F C 1.998 177.811 175.800 0.021 0.000 1.113 216 F CA 1.909 59.923 58.000 0.023 0.000 1.218 216 F CB -0.247 38.764 39.000 0.018 0.000 0.984 216 F HN 0.123 nan 8.300 nan 0.000 0.472 217 D N 0.366 120.912 120.400 0.244 0.000 2.144 217 D HA -0.144 4.496 4.640 -0.001 0.000 0.199 217 D C 2.420 178.734 176.300 0.022 0.000 0.984 217 D CA 1.250 55.328 54.000 0.129 0.000 0.834 217 D CB -0.398 40.490 40.800 0.146 0.000 0.955 217 D HN 0.326 nan 8.370 nan 0.000 0.465 218 L N 0.448 121.686 121.223 0.026 0.000 2.083 218 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 218 L C 2.474 179.317 176.870 -0.045 0.000 1.083 218 L CA 0.781 55.621 54.840 0.001 0.000 0.752 218 L CB -0.263 41.807 42.059 0.019 0.000 0.899 218 L HN -0.065 nan 8.230 nan 0.000 0.433 219 S N -0.526 115.120 115.700 -0.091 0.000 2.368 219 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 219 S C 2.027 176.517 174.600 -0.184 0.000 1.030 219 S CA 1.235 59.347 58.200 -0.147 0.000 0.999 219 S CB -0.224 62.851 63.200 -0.208 0.000 0.844 219 S HN 0.165 nan 8.310 nan 0.000 0.459 220 V N 1.951 121.715 119.914 -0.250 0.000 2.358 220 V HA -0.121 3.998 4.120 -0.001 0.000 0.246 220 V C 2.249 178.290 176.094 -0.088 0.000 1.047 220 V CA 1.366 63.551 62.300 -0.192 0.000 1.035 220 V CB -0.703 31.006 31.823 -0.190 0.000 0.658 220 V HN 0.351 nan 8.190 nan 0.000 0.452 221 L N 1.051 122.240 121.223 -0.056 0.000 2.043 221 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 221 L C 1.894 178.743 176.870 -0.036 0.000 1.075 221 L CA 1.981 56.803 54.840 -0.030 0.000 0.752 221 L CB -0.645 41.408 42.059 -0.011 0.000 0.891 221 L HN 0.605 nan 8.230 nan 0.000 0.432 235 M N -0.354 119.242 119.600 -0.005 0.000 2.160 235 M HA 0.095 4.575 4.480 -0.001 0.000 0.264 235 M C 2.054 178.354 176.300 0.001 0.000 1.073 235 M CA 1.201 56.503 55.300 0.003 0.000 1.142 235 M CB -0.831 31.777 32.600 0.014 0.000 1.358 235 M HN 0.030 nan 8.290 nan 0.000 0.422 236 L N 0.185 121.407 121.223 -0.002 0.000 1.989 236 L HA -0.245 4.094 4.340 -0.001 0.000 0.211 236 L C 2.532 179.390 176.870 -0.021 0.000 1.071 236 L CA 1.619 56.457 54.840 -0.003 0.000 0.749 236 L CB -0.501 41.554 42.059 -0.007 0.000 0.890 236 L HN 0.346 nan 8.230 nan 0.000 0.431 237 E N -0.237 119.944 120.200 -0.032 0.000 2.118 237 E HA -0.282 4.067 4.350 -0.001 0.000 0.195 237 E C 2.295 178.851 176.600 -0.073 0.000 0.992 237 E CA 1.159 57.528 56.400 -0.052 0.000 0.804 237 E CB 0.043 29.715 29.700 -0.047 0.000 0.741 237 E HN 0.214 nan 8.360 nan 0.000 0.458 238 R N 0.121 120.582 120.500 -0.065 0.000 2.075 238 R HA -0.120 4.219 4.340 -0.001 0.000 0.232 238 R C 1.718 177.929 176.300 -0.149 0.000 1.126 238 R CA 1.941 57.985 56.100 -0.093 0.000 0.963 238 R CB -0.119 30.144 30.300 -0.061 0.000 0.858 238 R HN 0.146 nan 8.270 nan 0.000 0.435 239 N N 0.168 118.806 118.700 -0.103 0.000 2.270 239 N HA -0.131 4.609 4.740 -0.001 0.000 0.181 239 N C 1.440 176.860 175.510 -0.151 0.000 1.016 239 N CA 0.691 53.667 53.050 -0.122 0.000 0.870 239 N CB -0.045 38.478 38.487 0.059 0.000 0.979 239 N HN 0.098 nan 8.380 nan 0.000 0.431 240 L N 1.210 122.374 121.223 -0.098 0.000 1.994 240 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 240 L C 1.328 178.108 176.870 -0.150 0.000 1.071 240 L CA 1.767 56.552 54.840 -0.092 0.000 0.745 240 L CB -0.778 41.235 42.059 -0.077 0.000 0.892 240 L HN 0.162 nan 8.230 nan 0.000 0.431 241 N N -0.087 118.510 118.700 -0.172 0.000 2.223 241 N HA -0.171 4.569 4.740 -0.001 0.000 0.185 241 N C 1.761 177.125 175.510 -0.243 0.000 1.016 241 N CA 1.217 54.157 53.050 -0.184 0.000 0.863 241 N CB -0.224 38.170 38.487 -0.156 0.000 0.983 241 N HN 0.444 nan 8.380 nan 0.000 0.429 242 K N 0.540 120.707 120.400 -0.388 0.000 2.057 242 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 242 K C 2.054 178.318 176.600 -0.560 0.000 1.049 242 K CA 1.056 56.941 56.287 -0.671 0.000 0.931 242 K CB -0.046 31.634 32.500 -1.367 0.000 0.714 242 K HN 0.041 nan 8.250 nan 0.000 0.440 243 Q N 0.924 120.509 119.800 -0.358 0.000 2.084 243 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 243 Q C 1.783 177.776 176.000 -0.011 0.000 0.978 243 Q CA 1.908 57.720 55.803 0.014 0.000 0.844 243 Q CB -0.238 28.555 28.738 0.092 0.000 0.898 243 Q HN 0.290 nan 8.270 nan 0.000 0.426 244 A N 0.120 122.891 122.820 -0.081 0.000 1.898 244 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 244 A C 2.137 179.687 177.584 -0.057 0.000 1.181 244 A CA 1.613 53.607 52.037 -0.072 0.000 0.620 244 A CB -0.547 18.382 19.000 -0.118 0.000 0.819 244 A HN 0.504 nan 8.150 nan 0.000 0.442 245 M N -0.520 119.032 119.600 -0.080 0.000 2.065 245 M HA -0.203 4.276 4.480 -0.001 0.000 0.259 245 M C 2.352 178.647 176.300 -0.009 0.000 1.069 245 M CA 2.280 57.547 55.300 -0.056 0.000 1.110 245 M CB -0.492 32.059 32.600 -0.083 0.000 1.328 245 M HN 0.561 nan 8.290 nan 0.000 0.405 246 K N 0.593 121.009 120.400 0.027 0.000 2.044 246 K HA -0.167 4.152 4.320 -0.001 0.000 0.210 246 K C 1.668 178.303 176.600 0.059 0.000 1.049 246 K CA 1.805 58.146 56.287 0.090 0.000 0.927 246 K CB -0.177 32.455 32.500 0.220 0.000 0.713 246 K HN 0.144 nan 8.250 nan 0.000 0.443 247 V N 1.517 121.460 119.914 0.048 0.000 2.307 247 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 247 V C 2.368 178.473 176.094 0.018 0.000 1.045 247 V CA 1.526 63.846 62.300 0.033 0.000 1.024 247 V CB -0.497 31.344 31.823 0.031 0.000 0.651 247 V HN 0.381 nan 8.190 nan 0.000 0.449 248 L N 1.015 122.240 121.223 0.004 0.000 2.012 248 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 248 L C 2.211 179.082 176.870 0.003 0.000 1.073 248 L CA 2.034 56.873 54.840 -0.003 0.000 0.748 248 L CB -1.099 40.949 42.059 -0.018 0.000 0.891 248 L HN 0.325 nan 8.230 nan 0.000 0.431 249 N N -0.154 118.550 118.700 0.006 0.000 2.166 249 N HA -0.191 4.549 4.740 -0.001 0.000 0.186 249 N C 1.776 177.293 175.510 0.013 0.000 1.019 249 N CA 1.527 54.583 53.050 0.009 0.000 0.856 249 N CB -0.141 38.354 38.487 0.013 0.000 0.993 249 N HN 0.559 nan 8.380 nan 0.000 0.426 250 E N 0.482 120.693 120.200 0.018 0.000 2.077 250 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 250 E C 1.459 178.067 176.600 0.013 0.000 0.989 250 E CA 0.714 57.124 56.400 0.017 0.000 0.800 250 E CB 0.040 29.753 29.700 0.021 0.000 0.746 250 E HN 0.315 nan 8.360 nan 0.000 0.452 251 N N 0.554 119.262 118.700 0.014 0.000 2.106 251 N HA -0.053 4.687 4.740 -0.001 0.000 0.188 251 N C 1.050 176.566 175.510 0.009 0.000 1.029 251 N CA 0.798 53.855 53.050 0.013 0.000 0.848 251 N CB -0.069 38.426 38.487 0.014 0.000 1.007 251 N HN 0.181 nan 8.380 nan 0.000 0.423 261 Q N 0.807 120.633 119.800 0.043 0.000 2.319 261 Q HA 0.208 4.548 4.340 -0.001 0.000 0.209 261 Q C -0.001 176.021 176.000 0.038 0.000 0.884 261 Q CA 0.447 56.280 55.803 0.050 0.000 0.938 261 Q CB 0.828 29.591 28.738 0.042 0.000 1.098 261 Q HN 0.581 nan 8.270 nan 0.000 0.517 262 V N 2.701 122.628 119.914 0.021 0.000 2.368 262 V HA 0.182 4.301 4.120 -0.001 0.000 0.266 262 V C 0.566 176.651 176.094 -0.015 0.000 1.045 262 V CA -0.293 62.011 62.300 0.007 0.000 0.899 262 V CB 0.653 32.475 31.823 -0.001 0.000 1.006 262 V HN 0.185 nan 8.190 nan 0.000 0.470 263 L N 8.055 129.271 121.223 -0.011 0.000 2.483 263 L HA 0.215 4.555 4.340 -0.001 0.000 0.275 263 L C -1.667 175.149 176.870 -0.089 0.000 1.220 263 L CA -1.291 53.515 54.840 -0.057 0.000 0.833 263 L CB 0.282 42.330 42.059 -0.019 0.000 1.102 263 L HN 0.430 nan 8.230 nan 0.000 0.490 264 P HA 0.036 nan 4.420 nan 0.000 0.274 264 P C -0.639 176.594 177.300 -0.112 0.000 1.264 264 P CA -0.575 62.441 63.100 -0.139 0.000 0.795 264 P CB 0.253 31.837 31.700 -0.194 0.000 1.064 265 S N -0.708 114.943 115.700 -0.083 0.000 2.576 265 S HA 0.037 4.506 4.470 -0.001 0.000 0.272 265 S C 1.037 175.593 174.600 -0.073 0.000 1.352 265 S CA 0.002 58.172 58.200 -0.051 0.000 1.021 265 S CB -0.587 62.595 63.200 -0.029 0.000 0.887 265 S HN 0.349 nan 8.310 nan 0.000 0.542 266 N N 1.024 119.715 118.700 -0.015 0.000 2.223 266 N HA -0.094 4.645 4.740 -0.001 0.000 0.185 266 N C 1.603 177.130 175.510 0.028 0.000 1.016 266 N CA 1.525 54.584 53.050 0.015 0.000 0.863 266 N CB -0.435 38.158 38.487 0.176 0.000 0.983 266 N HN 0.700 nan 8.380 nan 0.000 0.429 267 T N 0.021 114.602 114.554 0.045 0.000 2.652 267 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 267 T C 2.289 177.020 174.700 0.052 0.000 1.039 267 T CA 1.715 63.856 62.100 0.067 0.000 1.153 267 T CB -0.497 68.402 68.868 0.052 0.000 0.863 267 T HN 0.436 nan 8.240 nan 0.000 0.428 268 S N 1.888 117.586 115.700 -0.002 0.000 2.368 268 S HA -0.007 4.462 4.470 -0.001 0.000 0.224 268 S C 2.153 176.742 174.600 -0.018 0.000 1.029 268 S CA 0.819 59.017 58.200 -0.003 0.000 0.988 268 S CB -0.888 62.285 63.200 -0.046 0.000 0.838 268 S HN 0.446 nan 8.310 nan 0.000 0.462 269 L N 1.587 122.714 121.223 -0.160 0.000 2.042 269 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 269 L C 3.262 180.163 176.870 0.053 0.000 1.076 269 L CA 1.327 56.008 54.840 -0.264 0.000 0.749 269 L CB -0.952 40.504 42.059 -1.005 0.000 0.893 269 L HN 0.488 nan 8.230 nan 0.000 0.432 270 A N -0.819 122.061 122.820 0.099 0.000 1.933 270 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 270 A C 2.557 180.316 177.584 0.293 0.000 1.175 270 A CA 2.088 54.328 52.037 0.337 0.000 0.628 270 A CB -0.694 18.490 19.000 0.306 0.000 0.814 270 A HN 0.402 nan 8.150 nan 0.000 0.444 271 S N -1.530 114.297 115.700 0.211 0.000 2.356 271 S HA -0.165 4.305 4.470 -0.001 0.000 0.223 271 S C 1.799 176.415 174.600 0.028 0.000 1.032 271 S CA 1.572 59.862 58.200 0.150 0.000 1.005 271 S CB -0.543 62.761 63.200 0.172 0.000 0.867 271 S HN 0.561 nan 8.310 nan 0.000 0.449 272 F N 1.205 121.132 119.950 -0.038 0.000 2.095 272 F HA -0.003 4.524 4.527 -0.001 0.000 0.298 272 F C 1.410 177.165 175.800 -0.075 0.000 1.104 272 F CA 1.595 59.513 58.000 -0.137 0.000 1.232 272 F CB -0.426 38.347 39.000 -0.378 0.000 0.987 272 F HN 0.280 nan 8.300 nan 0.000 0.475 273 F N 0.150 120.343 119.950 0.406 0.000 2.811 273 F HA 0.203 4.730 4.527 -0.000 0.000 0.301 273 F C 2.400 178.470 175.800 0.451 0.000 1.151 273 F CA 0.589 58.944 58.000 0.593 0.000 1.412 273 F CB -1.130 38.192 39.000 0.536 0.000 1.113 273 F HN 0.014 nan 8.300 nan 0.000 0.579 274 G N 0.339 109.278 108.800 0.233 0.000 2.450 274 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.220 274 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.220 274 G C 1.697 176.608 174.900 0.017 0.000 1.130 274 G CA 0.753 45.944 45.100 0.152 0.000 0.760 274 G HN 0.341 nan 8.290 nan 0.000 0.557 275 I N -0.141 120.214 120.570 -0.359 0.000 2.676 275 I HA 0.227 4.397 4.170 -0.001 0.000 0.259 275 I C 0.356 176.264 176.117 -0.349 0.000 1.194 275 I CA -0.872 60.097 61.300 -0.552 0.000 1.473 275 I CB -0.237 37.146 38.000 -1.028 0.000 1.096 275 I HN -0.042 nan 8.210 nan 0.000 0.443 276 F N 0.811 120.852 119.950 0.152 0.000 2.406 276 F HA 0.221 4.748 4.527 -0.001 0.000 0.327 276 F C 0.778 176.649 175.800 0.117 0.000 1.153 276 F CA -0.529 57.596 58.000 0.208 0.000 1.218 276 F CB 0.056 39.355 39.000 0.499 0.000 1.215 276 F HN -0.088 nan 8.300 nan 0.000 0.570 277 D N 0.451 121.001 120.400 0.249 0.000 2.428 277 D HA 0.105 4.745 4.640 -0.001 0.000 0.221 277 D C 0.917 177.205 176.300 -0.020 0.000 1.123 277 D CA -0.135 53.946 54.000 0.136 0.000 0.869 277 D CB 1.057 41.953 40.800 0.160 0.000 1.032 277 D HN 0.500 nan 8.370 nan 0.000 0.506 278 S N 3.534 119.152 115.700 -0.136 0.000 2.399 278 S HA -0.206 4.263 4.470 -0.001 0.000 0.231 278 S C 1.647 176.030 174.600 -0.362 0.000 1.022 278 S CA 0.821 58.711 58.200 -0.518 0.000 0.983 278 S CB -0.432 62.618 63.200 -0.249 0.000 0.803 278 S HN 0.610 nan 8.310 nan 0.000 0.480 279 H N 0.736 119.761 119.070 -0.074 0.000 2.363 279 H HA 0.104 4.660 4.556 -0.001 0.000 0.301 279 H C 2.257 177.578 175.328 -0.012 0.000 1.074 279 H CA 1.488 57.523 56.048 -0.022 0.000 1.354 279 H CB -0.426 29.348 29.762 0.019 0.000 1.397 279 H HN 0.384 nan 8.280 nan 0.000 0.516 280 L N 1.553 122.850 121.223 0.123 0.000 2.042 280 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 280 L C 2.220 179.136 176.870 0.076 0.000 1.076 280 L CA 1.646 56.554 54.840 0.115 0.000 0.749 280 L CB -0.229 41.931 42.059 0.167 0.000 0.893 280 L HN 0.052 nan 8.230 nan 0.000 0.432 281 E N -0.487 119.714 120.200 0.002 0.000 2.047 281 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 281 E C 2.347 178.940 176.600 -0.011 0.000 0.987 281 E CA 1.550 57.958 56.400 0.013 0.000 0.799 281 E CB -0.674 28.950 29.700 -0.128 0.000 0.752 281 E HN 0.433 nan 8.360 nan 0.000 0.449 282 V N 2.062 121.934 119.914 -0.070 0.000 2.343 282 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 282 V C 2.379 178.486 176.094 0.020 0.000 1.051 282 V CA 2.013 64.299 62.300 -0.023 0.000 1.036 282 V CB -0.778 31.021 31.823 -0.040 0.000 0.654 282 V HN 0.304 nan 8.190 nan 0.000 0.451 283 S N -0.897 114.827 115.700 0.041 0.000 2.607 283 S HA -0.032 4.438 4.470 -0.001 0.000 0.224 283 S C 1.677 176.309 174.600 0.053 0.000 0.969 283 S CA 0.892 59.126 58.200 0.057 0.000 0.927 283 S CB -0.160 63.083 63.200 0.072 0.000 0.772 283 S HN 0.479 nan 8.310 nan 0.000 0.533 284 S N 1.001 116.734 115.700 0.055 0.000 2.561 284 S HA 0.181 4.651 4.470 -0.001 0.000 0.225 284 S C 0.537 175.162 174.600 0.042 0.000 0.977 284 S CA -0.089 58.144 58.200 0.054 0.000 0.926 284 S CB -0.168 63.080 63.200 0.079 0.000 0.769 284 S HN 0.437 nan 8.310 nan 0.000 0.533 285 V N 3.919 123.864 119.914 0.052 0.000 2.521 285 V HA 0.117 4.237 4.120 -0.001 0.000 0.286 285 V C 0.471 176.589 176.094 0.039 0.000 1.034 285 V CA -0.546 61.796 62.300 0.070 0.000 1.045 285 V CB 0.492 32.390 31.823 0.125 0.000 0.974 285 V HN 0.332 nan 8.190 nan 0.000 0.480 286 N N 3.601 122.293 118.700 -0.013 0.000 2.422 286 N HA 0.095 4.835 4.740 -0.001 0.000 0.264 286 N C 0.943 176.313 175.510 -0.233 0.000 1.063 286 N CA 0.197 53.194 53.050 -0.089 0.000 0.959 286 N CB 1.740 40.166 38.487 -0.102 0.000 1.087 286 N HN 0.821 nan 8.380 nan 0.000 0.483 287 T N -1.146 113.261 114.554 -0.246 0.000 3.122 287 T HA 0.004 4.353 4.350 -0.001 0.000 0.250 287 T C 1.271 175.719 174.700 -0.421 0.000 1.067 287 T CA 0.178 62.001 62.100 -0.462 0.000 0.966 287 T CB -0.206 68.595 68.868 -0.112 0.000 1.002 287 T HN 0.375 nan 8.240 nan 0.000 0.542 288 S N 0.245 115.774 115.700 -0.286 0.000 2.540 288 S HA 0.292 4.761 4.470 -0.001 0.000 0.218 288 S C 0.813 175.311 174.600 -0.170 0.000 0.977 288 S CA -0.427 57.662 58.200 -0.185 0.000 0.918 288 S CB -0.125 63.006 63.200 -0.114 0.000 0.806 288 S HN 0.405 nan 8.310 nan 0.000 0.496 289 S N 1.269 116.844 115.700 -0.208 0.000 2.579 289 S HA 0.232 4.702 4.470 -0.001 0.000 0.275 289 S C 0.700 175.204 174.600 -0.160 0.000 1.345 289 S CA -0.273 57.856 58.200 -0.118 0.000 1.031 289 S CB 0.162 63.333 63.200 -0.048 0.000 0.892 289 S HN 0.614 nan 8.310 nan 0.000 0.529 290 N N 1.537 120.100 118.700 -0.228 0.000 2.336 290 N HA 0.186 4.926 4.740 -0.001 0.000 0.189 290 N C -0.220 174.831 175.510 -0.765 0.000 1.113 290 N CA 0.267 53.002 53.050 -0.525 0.000 0.858 290 N CB 0.267 38.329 38.487 -0.708 0.000 0.970 290 N HN 0.647 nan 8.380 nan 0.000 0.471 291 Y N -1.240 119.067 120.300 0.012 0.000 2.476 291 Y HA 0.201 4.750 4.550 -0.001 0.000 0.261 291 Y C 0.024 175.950 175.900 0.045 0.000 1.077 291 Y CA -0.748 57.368 58.100 0.026 0.000 1.240 291 Y CB 0.423 38.898 38.460 0.025 0.000 1.317 291 Y HN -0.086 nan 8.280 nan 0.000 0.540 292 D N 1.625 122.134 120.400 0.182 0.000 2.344 292 D HA 0.041 4.681 4.640 -0.001 0.000 0.253 292 D C 0.964 177.385 176.300 0.202 0.000 1.255 292 D CA 0.513 54.631 54.000 0.197 0.000 0.894 292 D CB 1.081 42.016 40.800 0.225 0.000 1.067 292 D HN 0.330 nan 8.370 nan 0.000 0.492 293 T N 0.604 115.206 114.554 0.081 0.000 3.122 293 T HA 0.365 4.715 4.350 -0.001 0.000 0.250 293 T C 1.105 175.756 174.700 -0.081 0.000 1.067 293 T CA 0.124 62.239 62.100 0.024 0.000 0.966 293 T CB 0.481 69.341 68.868 -0.014 0.000 1.002 293 T HN 0.241 nan 8.240 nan 0.000 0.542 294 A N 0.640 123.376 122.820 -0.139 0.000 2.324 294 A HA 0.343 4.663 4.320 -0.001 0.000 0.220 294 A C 1.644 179.184 177.584 -0.073 0.000 1.209 294 A CA -0.089 51.784 52.037 -0.274 0.000 0.918 294 A CB -0.575 17.953 19.000 -0.786 0.000 0.959 294 A HN 0.677 nan 8.150 nan 0.000 0.507 295 Y N -1.215 119.093 120.300 0.012 0.000 2.333 295 Y HA 0.072 4.622 4.550 -0.001 0.000 0.290 295 Y C 2.061 177.980 175.900 0.032 0.000 1.144 295 Y CA 1.031 59.189 58.100 0.097 0.000 1.228 295 Y CB -0.602 37.920 38.460 0.104 0.000 0.985 295 Y HN 0.171 nan 8.280 nan 0.000 0.542 296 A N 0.913 123.289 122.820 -0.742 0.000 1.929 296 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 296 A C 2.147 179.579 177.584 -0.254 0.000 1.176 296 A CA 1.385 53.078 52.037 -0.575 0.000 0.628 296 A CB -0.959 17.696 19.000 -0.575 0.000 0.816 296 A HN 0.528 nan 8.150 nan 0.000 0.444 297 L N -0.741 120.361 121.223 -0.202 0.000 2.056 297 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 297 L C 2.216 179.033 176.870 -0.088 0.000 1.078 297 L CA 1.657 56.418 54.840 -0.132 0.000 0.749 297 L CB -0.500 41.484 42.059 -0.124 0.000 0.901 297 L HN 0.356 nan 8.230 nan 0.000 0.433 298 L N -1.174 120.030 121.223 -0.031 0.000 2.012 298 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 298 L C 2.671 179.521 176.870 -0.032 0.000 1.073 298 L CA 2.178 57.027 54.840 0.016 0.000 0.748 298 L CB -1.102 41.051 42.059 0.158 0.000 0.891 298 L HN 0.427 nan 8.230 nan 0.000 0.431 299 S N -0.957 114.731 115.700 -0.020 0.000 2.359 299 S HA -0.252 4.217 4.470 -0.001 0.000 0.224 299 S C 1.913 176.473 174.600 -0.066 0.000 1.035 299 S CA 1.622 59.806 58.200 -0.027 0.000 1.018 299 S CB -0.583 62.614 63.200 -0.005 0.000 0.876 299 S HN 0.671 nan 8.310 nan 0.000 0.448 300 D N 0.842 121.190 120.400 -0.086 0.000 2.123 300 D HA -0.041 4.598 4.640 -0.001 0.000 0.196 300 D C 2.126 178.356 176.300 -0.116 0.000 0.992 300 D CA 1.358 55.302 54.000 -0.094 0.000 0.833 300 D CB -0.585 40.157 40.800 -0.098 0.000 0.954 300 D HN 0.451 nan 8.370 nan 0.000 0.455 301 A N 0.326 123.065 122.820 -0.135 0.000 1.883 301 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 301 A C 2.545 179.991 177.584 -0.230 0.000 1.186 301 A CA 1.320 53.243 52.037 -0.190 0.000 0.624 301 A CB -0.822 18.058 19.000 -0.201 0.000 0.822 301 A HN 0.353 nan 8.150 nan 0.000 0.444 302 L N -1.177 119.926 121.223 -0.200 0.000 2.109 302 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 302 L C 2.903 179.724 176.870 -0.082 0.000 1.086 302 L CA 0.985 55.706 54.840 -0.199 0.000 0.760 302 L CB -0.574 41.387 42.059 -0.164 0.000 0.910 302 L HN 0.422 nan 8.230 nan 0.000 0.437 303 Q N -0.002 119.754 119.800 -0.072 0.000 2.084 303 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 303 Q C 2.430 178.377 176.000 -0.088 0.000 0.978 303 Q CA 1.223 56.996 55.803 -0.050 0.000 0.844 303 Q CB -0.101 28.606 28.738 -0.051 0.000 0.898 303 Q HN 0.396 nan 8.270 nan 0.000 0.426 304 R N 0.654 121.075 120.500 -0.132 0.000 2.083 304 R HA -0.140 4.200 4.340 -0.001 0.000 0.237 304 R C 2.352 178.492 176.300 -0.267 0.000 1.137 304 R CA 0.738 56.733 56.100 -0.174 0.000 0.951 304 R CB -1.169 29.032 30.300 -0.166 0.000 0.851 304 R HN 0.238 nan 8.270 nan 0.000 0.434 305 L N 0.173 121.206 121.223 -0.317 0.000 1.990 305 L HA -0.203 4.136 4.340 -0.001 0.000 0.213 305 L C 1.736 178.268 176.870 -0.563 0.000 1.072 305 L CA 1.840 56.388 54.840 -0.488 0.000 0.755 305 L CB -0.799 40.862 42.059 -0.663 0.000 0.889 305 L HN 0.155 nan 8.230 nan 0.000 0.432 306 Y N -0.546 119.635 120.300 -0.198 0.000 2.529 306 Y HA -0.000 4.549 4.550 -0.001 0.000 0.290 306 Y C 2.548 178.377 175.900 -0.118 0.000 1.177 306 Y CA 0.512 58.544 58.100 -0.113 0.000 1.305 306 Y CB -0.317 38.092 38.460 -0.086 0.000 1.047 306 Y HN 0.437 nan 8.280 nan 0.000 0.522 307 S N 0.443 116.092 115.700 -0.085 0.000 2.474 307 S HA -0.017 4.452 4.470 -0.001 0.000 0.235 307 S C 1.511 176.037 174.600 -0.124 0.000 0.997 307 S CA 0.264 58.408 58.200 -0.092 0.000 0.949 307 S CB -0.514 62.613 63.200 -0.122 0.000 0.766 307 S HN 0.436 nan 8.310 nan 0.000 0.517 308 A N 0.893 123.567 122.820 -0.243 0.000 2.466 308 A HA -0.048 4.271 4.320 -0.001 0.000 0.295 308 A C 0.581 178.067 177.584 -0.162 0.000 1.465 308 A CA 0.908 52.825 52.037 -0.200 0.000 0.744 308 A CB -2.521 16.511 19.000 0.054 0.000 1.098 308 A HN 1.453 nan 8.150 nan 0.000 0.402 309 T N -3.399 110.955 114.554 -0.333 0.000 2.901 309 T HA 0.649 4.999 4.350 -0.001 0.000 0.293 309 T C 0.506 175.149 174.700 -0.094 0.000 1.084 309 T CA -0.027 61.997 62.100 -0.127 0.000 1.008 309 T CB 1.499 70.310 68.868 -0.095 0.000 1.170 309 T HN 0.062 nan 8.240 nan 0.000 0.509 310 D N 0.499 120.929 120.400 0.050 0.000 2.116 310 D HA -0.140 4.500 4.640 -0.001 0.000 0.193 310 D C 1.671 178.008 176.300 0.062 0.000 0.998 310 D CA 1.604 55.670 54.000 0.111 0.000 0.836 310 D CB -0.021 40.828 40.800 0.083 0.000 0.951 310 D HN 0.856 nan 8.370 nan 0.000 0.449 311 E N 0.088 120.289 120.200 0.001 0.000 2.106 311 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 311 E C 2.156 178.721 176.600 -0.058 0.000 0.984 311 E CA 1.001 57.391 56.400 -0.016 0.000 0.806 311 E CB -0.203 29.482 29.700 -0.024 0.000 0.750 311 E HN 0.259 nan 8.360 nan 0.000 0.458 312 G N -0.040 108.671 108.800 -0.148 0.000 2.440 312 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.218 312 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.218 312 G C 1.055 175.816 174.900 -0.232 0.000 1.154 312 G CA 1.085 46.033 45.100 -0.254 0.000 0.767 312 G HN 0.273 nan 8.290 nan 0.000 0.552 313 Y N 0.521 120.831 120.300 0.017 0.000 2.200 313 Y HA 0.100 4.650 4.550 -0.001 0.000 0.290 313 Y C 2.805 178.763 175.900 0.098 0.000 1.137 313 Y CA 0.516 58.668 58.100 0.086 0.000 1.163 313 Y CB -0.635 37.887 38.460 0.104 0.000 0.988 313 Y HN 0.063 nan 8.280 nan 0.000 0.518 314 L N -1.146 120.186 121.223 0.182 0.000 2.012 314 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 314 L C 2.266 179.156 176.870 0.033 0.000 1.073 314 L CA 1.036 55.938 54.840 0.104 0.000 0.748 314 L CB -0.840 41.259 42.059 0.066 0.000 0.891 314 L HN 0.071 nan 8.230 nan 0.000 0.431 315 V N -0.176 119.731 119.914 -0.012 0.000 2.358 315 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 315 V C 2.745 178.773 176.094 -0.110 0.000 1.047 315 V CA 1.622 63.886 62.300 -0.060 0.000 1.035 315 V CB -0.865 30.914 31.823 -0.073 0.000 0.658 315 V HN 0.464 nan 8.190 nan 0.000 0.452 316 A N 0.723 123.462 122.820 -0.135 0.000 1.883 316 A HA -0.329 3.990 4.320 -0.001 0.000 0.217 316 A C 2.077 179.415 177.584 -0.411 0.000 1.186 316 A CA 2.544 54.418 52.037 -0.272 0.000 0.624 316 A CB -0.917 17.917 19.000 -0.277 0.000 0.822 316 A HN 0.623 nan 8.150 nan 0.000 0.444 317 N N -0.012 118.525 118.700 -0.273 0.000 2.084 317 N HA -0.196 4.544 4.740 -0.001 0.000 0.190 317 N C 1.479 176.878 175.510 -0.186 0.000 1.030 317 N CA 2.041 54.933 53.050 -0.263 0.000 0.849 317 N CB -0.398 38.167 38.487 0.130 0.000 1.012 317 N HN 0.509 nan 8.380 nan 0.000 0.423 318 D N -0.555 119.780 120.400 -0.107 0.000 2.104 318 D HA -0.094 4.545 4.640 -0.001 0.000 0.194 318 D C 1.903 178.138 176.300 -0.108 0.000 0.994 318 D CA 1.146 55.097 54.000 -0.082 0.000 0.830 318 D CB -0.106 40.661 40.800 -0.055 0.000 0.959 318 D HN 0.327 nan 8.370 nan 0.000 0.452 319 L N -0.227 120.912 121.223 -0.139 0.000 2.270 319 L HA 0.014 4.353 4.340 -0.001 0.000 0.210 319 L C 2.455 179.240 176.870 -0.142 0.000 1.104 319 L CA 0.176 54.938 54.840 -0.130 0.000 0.804 319 L CB -0.252 41.727 42.059 -0.134 0.000 0.937 319 L HN 0.181 nan 8.230 nan 0.000 0.450 320 L N -0.507 120.586 121.223 -0.216 0.000 2.017 320 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 320 L C 2.646 179.442 176.870 -0.122 0.000 1.073 320 L CA 1.583 56.302 54.840 -0.201 0.000 0.745 320 L CB -0.854 40.988 42.059 -0.362 0.000 0.894 320 L HN 0.231 nan 8.230 nan 0.000 0.432 321 T N -0.379 114.097 114.554 -0.130 0.000 2.684 321 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 321 T C 1.904 176.587 174.700 -0.029 0.000 1.036 321 T CA 1.467 63.530 62.100 -0.062 0.000 1.148 321 T CB -0.130 68.707 68.868 -0.052 0.000 0.863 321 T HN 0.270 nan 8.240 nan 0.000 0.436 322 K N 0.969 121.341 120.400 -0.047 0.000 2.057 322 K HA -0.044 4.275 4.320 -0.001 0.000 0.207 322 K C 2.794 179.365 176.600 -0.048 0.000 1.049 322 K CA 1.455 57.717 56.287 -0.042 0.000 0.931 322 K CB -0.210 32.256 32.500 -0.056 0.000 0.714 322 K HN 0.147 nan 8.250 nan 0.000 0.440 323 S N 0.391 116.065 115.700 -0.043 0.000 2.370 323 S HA -0.143 4.327 4.470 -0.001 0.000 0.226 323 S C 2.027 176.670 174.600 0.072 0.000 1.033 323 S CA 1.722 59.916 58.200 -0.010 0.000 1.011 323 S CB -0.376 62.872 63.200 0.080 0.000 0.852 323 S HN 0.344 nan 8.310 nan 0.000 0.457 324 T N 2.177 116.763 114.554 0.053 0.000 2.746 324 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 324 T C 1.428 176.072 174.700 -0.092 0.000 1.039 324 T CA 1.413 63.503 62.100 -0.017 0.000 1.142 324 T CB -0.502 68.340 68.868 -0.043 0.000 0.866 324 T HN 0.309 nan 8.240 nan 0.000 0.444 325 D N 0.877 121.279 120.400 0.004 0.000 2.117 325 D HA -0.012 4.628 4.640 -0.001 0.000 0.197 325 D C 2.077 178.394 176.300 0.028 0.000 0.987 325 D CA 0.997 55.038 54.000 0.069 0.000 0.829 325 D CB -0.282 40.554 40.800 0.060 0.000 0.961 325 D HN 0.384 nan 8.370 nan 0.000 0.460 326 M N -0.639 118.926 119.600 -0.057 0.000 2.132 326 M HA -0.171 4.309 4.480 -0.001 0.000 0.263 326 M C 2.016 178.221 176.300 -0.159 0.000 1.065 326 M CA 1.117 56.334 55.300 -0.138 0.000 1.122 326 M CB -0.271 32.174 32.600 -0.257 0.000 1.365 326 M HN 0.041 nan 8.290 nan 0.000 0.411 327 Y N -0.338 119.934 120.300 -0.047 0.000 2.224 327 Y HA -0.239 4.311 4.550 -0.001 0.000 0.289 327 Y C 2.612 178.500 175.900 -0.019 0.000 1.146 327 Y CA 1.346 59.413 58.100 -0.055 0.000 1.182 327 Y CB -0.832 37.566 38.460 -0.102 0.000 0.983 327 Y HN 0.271 nan 8.280 nan 0.000 0.524 328 H N -1.142 118.022 119.070 0.156 0.000 2.387 328 H HA -0.108 4.448 4.556 -0.001 0.000 0.299 328 H C 2.338 177.702 175.328 0.059 0.000 1.090 328 H CA 1.494 57.598 56.048 0.093 0.000 1.332 328 H CB -0.406 29.396 29.762 0.068 0.000 1.386 328 H HN 0.242 nan 8.280 nan 0.000 0.516 329 S N 0.356 116.148 115.700 0.154 0.000 2.371 329 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 329 S C 2.515 177.152 174.600 0.061 0.000 1.029 329 S CA 0.441 58.689 58.200 0.080 0.000 0.978 329 S CB -0.198 63.027 63.200 0.041 0.000 0.833 329 S HN 0.226 nan 8.310 nan 0.000 0.466 330 L N 1.183 122.439 121.223 0.056 0.000 2.046 330 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 330 L C 2.174 179.088 176.870 0.073 0.000 1.077 330 L CA 1.093 55.968 54.840 0.059 0.000 0.747 330 L CB -0.619 41.480 42.059 0.067 0.000 0.896 330 L HN 0.289 nan 8.230 nan 0.000 0.432 331 L N -1.459 119.831 121.223 0.111 0.000 2.141 331 L HA -0.086 4.254 4.340 -0.001 0.000 0.209 331 L C 1.177 178.080 176.870 0.055 0.000 1.094 331 L CA 0.541 55.435 54.840 0.090 0.000 0.763 331 L CB -0.270 41.862 42.059 0.122 0.000 0.908 331 L HN 0.452 nan 8.230 nan 0.000 0.437 336 V N 4.896 124.534 119.914 -0.460 0.000 2.962 336 V HA 0.794 4.913 4.120 -0.001 0.000 0.313 336 V C -0.950 175.067 176.094 -0.128 0.000 1.099 336 V CA -0.803 61.358 62.300 -0.232 0.000 0.971 336 V CB 2.394 34.169 31.823 -0.080 0.000 1.028 336 V HN 1.033 nan 8.190 nan 0.000 0.430 337 D N 0.033 120.472 120.400 0.065 0.000 2.533 337 D HA 0.386 5.025 4.640 -0.001 0.000 0.247 337 D C 0.239 176.568 176.300 0.048 0.000 1.056 337 D CA -0.681 53.376 54.000 0.094 0.000 1.054 337 D CB 0.959 41.877 40.800 0.197 0.000 1.400 337 D HN 0.270 nan 8.370 nan 0.000 0.533 338 D N -0.402 120.009 120.400 0.019 0.000 2.123 338 D HA -0.077 4.563 4.640 -0.001 0.000 0.196 338 D C -0.896 175.372 176.300 -0.053 0.000 0.992 338 D CA 1.417 55.404 54.000 -0.021 0.000 0.833 338 D CB -1.453 39.328 40.800 -0.031 0.000 0.954 338 D HN 0.361 nan 8.370 nan 0.000 0.455 339 P HA -0.121 nan 4.420 nan 0.000 0.216 339 P C 1.927 179.205 177.300 -0.037 0.000 1.153 339 P CA 0.697 63.758 63.100 -0.066 0.000 0.858 339 P CB 0.005 31.664 31.700 -0.068 0.000 0.789 340 L N -0.872 120.369 121.223 0.031 0.000 2.017 340 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 340 L C 2.530 179.411 176.870 0.019 0.000 1.073 340 L CA 1.644 56.548 54.840 0.106 0.000 0.745 340 L CB -0.291 41.876 42.059 0.181 0.000 0.894 340 L HN -0.175 nan 8.230 nan 0.000 0.432 341 R N -0.195 120.300 120.500 -0.009 0.000 2.103 341 R HA -0.220 4.119 4.340 -0.001 0.000 0.242 341 R C 2.069 178.304 176.300 -0.109 0.000 1.142 341 R CA 2.073 58.145 56.100 -0.048 0.000 0.960 341 R CB -0.369 29.916 30.300 -0.024 0.000 0.858 341 R HN 0.556 nan 8.270 nan 0.000 0.439 342 E N -0.035 120.073 120.200 -0.153 0.000 2.107 342 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 342 E C 1.714 178.212 176.600 -0.169 0.000 0.982 342 E CA 0.641 56.911 56.400 -0.217 0.000 0.809 342 E CB -0.013 29.460 29.700 -0.378 0.000 0.756 342 E HN 0.290 nan 8.360 nan 0.000 0.459 343 N N 1.036 119.628 118.700 -0.180 0.000 2.142 343 N HA -0.103 4.636 4.740 -0.001 0.000 0.186 343 N C 1.728 176.871 175.510 -0.611 0.000 1.023 343 N CA 1.255 54.171 53.050 -0.223 0.000 0.852 343 N CB -0.359 38.105 38.487 -0.039 0.000 0.998 343 N HN 0.133 nan 8.380 nan 0.000 0.424 344 A N 0.973 123.279 122.820 -0.856 0.000 1.908 344 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 344 A C 2.346 179.675 177.584 -0.424 0.000 1.181 344 A CA 2.066 53.496 52.037 -1.012 0.000 0.627 344 A CB -0.901 17.803 19.000 -0.492 0.000 0.818 344 A HN 0.318 nan 8.150 nan 0.000 0.445 345 A N -0.682 122.004 122.820 -0.224 0.000 1.902 345 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 345 A C 2.138 179.691 177.584 -0.051 0.000 1.181 345 A CA 1.712 53.696 52.037 -0.088 0.000 0.623 345 A CB -0.589 18.417 19.000 0.010 0.000 0.818 345 A HN 0.692 nan 8.150 nan 0.000 0.443 346 L N -0.250 120.945 121.223 -0.047 0.000 2.046 346 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 346 L C 2.666 179.606 176.870 0.118 0.000 1.077 346 L CA 2.185 57.067 54.840 0.070 0.000 0.747 346 L CB -0.781 41.317 42.059 0.065 0.000 0.896 346 L HN 0.334 nan 8.230 nan 0.000 0.432 347 A N -0.494 122.306 122.820 -0.034 0.000 1.877 347 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 347 A C 2.266 179.880 177.584 0.049 0.000 1.186 347 A CA 2.043 54.092 52.037 0.019 0.000 0.620 347 A CB -0.964 18.038 19.000 0.003 0.000 0.822 347 A HN 0.494 nan 8.150 nan 0.000 0.443 348 L N -0.909 120.304 121.223 -0.016 0.000 2.046 348 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 348 L C 2.845 179.752 176.870 0.062 0.000 1.077 348 L CA 1.411 56.257 54.840 0.010 0.000 0.747 348 L CB -0.682 41.361 42.059 -0.025 0.000 0.896 348 L HN 0.687 nan 8.230 nan 0.000 0.432 349 C N -0.691 118.650 119.300 0.069 0.000 2.432 349 C HA -0.240 4.220 4.460 -0.001 0.000 0.277 349 C C 2.753 177.826 174.990 0.139 0.000 1.249 349 C CA 0.785 59.857 59.018 0.089 0.000 1.725 349 C CB -0.724 27.034 27.740 0.030 0.000 2.028 349 C HN 0.497 nan 8.230 nan 0.000 0.477 350 Y N 1.115 121.519 120.300 0.173 0.000 2.263 350 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 350 Y C 2.865 178.823 175.900 0.097 0.000 1.130 350 Y CA 2.084 60.287 58.100 0.172 0.000 1.179 350 Y CB -0.622 37.892 38.460 0.089 0.000 0.998 350 Y HN 0.313 nan 8.280 nan 0.000 0.532 351 T N -0.916 113.727 114.554 0.148 0.000 2.867 351 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 351 T C 2.236 176.984 174.700 0.081 0.000 1.057 351 T CA 1.214 63.331 62.100 0.028 0.000 1.136 351 T CB -0.826 68.040 68.868 -0.002 0.000 0.874 351 T HN 0.567 nan 8.240 nan 0.000 0.466 352 G N 1.524 110.405 108.800 0.136 0.000 2.459 352 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 352 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 352 G C 1.506 176.472 174.900 0.109 0.000 1.183 352 G CA 0.649 45.843 45.100 0.156 0.000 0.776 352 G HN 0.433 nan 8.290 nan 0.000 0.552 353 I N -0.362 120.191 120.570 -0.029 0.000 2.361 353 I HA 0.030 4.200 4.170 -0.001 0.000 0.251 353 I C 2.295 178.373 176.117 -0.066 0.000 1.133 353 I CA 0.502 61.645 61.300 -0.261 0.000 1.413 353 I CB -0.271 37.108 38.000 -1.035 0.000 1.073 353 I HN 0.113 nan 8.210 nan 0.000 0.424 354 F N 0.166 120.056 119.950 -0.099 0.000 2.171 354 F HA -0.229 4.297 4.527 -0.001 0.000 0.300 354 F C 2.635 178.371 175.800 -0.107 0.000 1.090 354 F CA 1.644 59.585 58.000 -0.098 0.000 1.293 354 F CB -0.756 38.182 39.000 -0.104 0.000 1.013 354 F HN 0.210 nan 8.300 nan 0.000 0.486 355 H N -1.400 117.754 119.070 0.140 0.000 2.321 355 H HA -0.205 4.350 4.556 -0.001 0.000 0.300 355 H C 2.227 177.551 175.328 -0.007 0.000 1.087 355 H CA 1.764 57.847 56.048 0.059 0.000 1.319 355 H CB -1.108 28.697 29.762 0.072 0.000 1.379 355 H HN 0.294 nan 8.280 nan 0.000 0.501 356 F N 1.586 121.531 119.950 -0.009 0.000 2.091 356 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 356 F C 2.345 178.026 175.800 -0.198 0.000 1.103 356 F CA 1.223 59.153 58.000 -0.116 0.000 1.228 356 F CB -0.762 38.126 39.000 -0.187 0.000 0.984 356 F HN -0.006 nan 8.300 nan 0.000 0.477 357 L N 0.157 121.109 121.223 -0.452 0.000 2.079 357 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 357 L C 2.154 178.773 176.870 -0.418 0.000 1.081 357 L CA 1.628 56.112 54.840 -0.592 0.000 0.752 357 L CB -0.716 40.969 42.059 -0.623 0.000 0.896 357 L HN 0.108 nan 8.230 nan 0.000 0.433 358 K N -0.175 120.076 120.400 -0.249 0.000 2.525 358 K HA -0.040 4.280 4.320 -0.001 0.000 0.192 358 K C 0.385 176.905 176.600 -0.133 0.000 1.029 358 K CA 0.100 56.306 56.287 -0.136 0.000 1.029 358 K CB -0.081 32.414 32.500 -0.009 0.000 0.814 358 K HN 0.155 nan 8.250 nan 0.000 0.503 359 N N 1.551 120.114 118.700 -0.228 0.000 2.747 359 N HA -0.178 4.562 4.740 -0.001 0.000 0.249 359 N C -1.593 173.867 175.510 -0.083 0.000 1.107 359 N CA 0.516 53.449 53.050 -0.195 0.000 0.707 359 N CB -1.762 36.626 38.487 -0.166 0.000 1.054 359 N HN 0.345 nan 8.380 nan 0.000 0.555 360 N N 0.515 119.197 118.700 -0.029 0.000 2.949 360 N HA 0.251 4.991 4.740 -0.001 0.000 0.243 360 N C 1.063 176.568 175.510 -0.009 0.000 1.113 360 N CA -0.445 52.589 53.050 -0.027 0.000 0.980 360 N CB 0.578 39.036 38.487 -0.048 0.000 1.256 360 N HN 0.214 nan 8.380 nan 0.000 0.508 361 L N 0.569 121.800 121.223 0.013 0.000 2.109 361 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 361 L C 2.044 178.939 176.870 0.041 0.000 1.086 361 L CA 0.789 55.673 54.840 0.073 0.000 0.760 361 L CB -0.167 41.944 42.059 0.088 0.000 0.910 361 L HN 0.486 nan 8.230 nan 0.000 0.437 362 L N 0.121 121.343 121.223 -0.001 0.000 2.027 362 L HA -0.190 4.150 4.340 -0.001 0.000 0.206 362 L C 2.062 178.904 176.870 -0.047 0.000 1.074 362 L CA 1.875 56.706 54.840 -0.015 0.000 0.745 362 L CB -0.764 41.282 42.059 -0.022 0.000 0.898 362 L HN 0.165 nan 8.230 nan 0.000 0.433 363 D N 0.072 120.396 120.400 -0.126 0.000 2.133 363 D HA -0.213 4.427 4.640 -0.001 0.000 0.195 363 D C 2.175 178.420 176.300 -0.092 0.000 0.997 363 D CA 1.670 55.520 54.000 -0.250 0.000 0.840 363 D CB -0.250 40.093 40.800 -0.763 0.000 0.947 363 D HN 0.512 nan 8.370 nan 0.000 0.452 364 A N 0.713 123.539 122.820 0.011 0.000 1.877 364 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 364 A C 2.170 179.790 177.584 0.060 0.000 1.186 364 A CA 2.001 54.113 52.037 0.125 0.000 0.620 364 A CB -0.795 18.311 19.000 0.178 0.000 0.822 364 A HN 0.300 nan 8.150 nan 0.000 0.443 365 Q N -0.248 119.570 119.800 0.030 0.000 2.124 365 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 365 Q C 1.880 177.878 176.000 -0.002 0.000 0.977 365 Q CA 1.890 57.693 55.803 -0.000 0.000 0.850 365 Q CB -0.248 28.496 28.738 0.010 0.000 0.901 365 Q HN 0.366 nan 8.270 nan 0.000 0.429 366 V N 1.115 121.035 119.914 0.009 0.000 2.287 366 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 366 V C 2.324 178.440 176.094 0.037 0.000 1.053 366 V CA 1.698 64.007 62.300 0.016 0.000 1.027 366 V CB -0.478 31.351 31.823 0.009 0.000 0.646 366 V HN 0.426 nan 8.190 nan 0.000 0.447 367 L N -1.062 120.201 121.223 0.067 0.000 2.109 367 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 367 L C 2.367 179.256 176.870 0.032 0.000 1.086 367 L CA 1.203 56.097 54.840 0.090 0.000 0.760 367 L CB -0.469 41.677 42.059 0.146 0.000 0.910 367 L HN 0.300 nan 8.230 nan 0.000 0.437 368 L N -0.505 120.717 121.223 -0.001 0.000 2.093 368 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 368 L C 2.686 179.478 176.870 -0.130 0.000 1.085 368 L CA 0.979 55.775 54.840 -0.074 0.000 0.755 368 L CB -0.367 41.629 42.059 -0.104 0.000 0.904 368 L HN 0.273 nan 8.230 nan 0.000 0.435 369 Q N 0.579 120.323 119.800 -0.093 0.000 2.079 369 Q HA -0.217 4.123 4.340 -0.001 0.000 0.200 369 Q C 1.972 177.937 176.000 -0.060 0.000 0.974 369 Q CA 1.691 57.441 55.803 -0.089 0.000 0.840 369 Q CB -0.054 28.660 28.738 -0.042 0.000 0.898 369 Q HN 0.420 nan 8.270 nan 0.000 0.430 370 E N -0.561 119.629 120.200 -0.016 0.000 2.085 370 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 370 E C 1.986 178.575 176.600 -0.018 0.000 0.994 370 E CA 1.212 57.619 56.400 0.011 0.000 0.801 370 E CB -0.262 29.484 29.700 0.077 0.000 0.743 370 E HN 0.337 nan 8.360 nan 0.000 0.453 371 S N 0.600 116.273 115.700 -0.045 0.000 2.359 371 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 371 S C 2.010 176.545 174.600 -0.109 0.000 1.035 371 S CA 1.035 59.193 58.200 -0.071 0.000 1.018 371 S CB -0.214 62.937 63.200 -0.083 0.000 0.876 371 S HN 0.180 nan 8.310 nan 0.000 0.448 372 I N 2.020 122.483 120.570 -0.179 0.000 2.226 372 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 372 I C 2.028 178.081 176.117 -0.107 0.000 1.100 372 I CA 1.098 62.264 61.300 -0.224 0.000 1.374 372 I CB -0.474 37.306 38.000 -0.367 0.000 1.057 372 I HN 0.291 nan 8.210 nan 0.000 0.413 373 N N 0.558 119.220 118.700 -0.064 0.000 2.364 373 N HA -0.087 4.653 4.740 -0.001 0.000 0.183 373 N C 1.759 177.267 175.510 -0.003 0.000 1.022 373 N CA 1.149 54.186 53.050 -0.021 0.000 0.883 373 N CB -0.138 38.345 38.487 -0.006 0.000 0.965 373 N HN 0.362 nan 8.380 nan 0.000 0.438 374 L N -1.632 119.589 121.223 -0.002 0.000 2.185 374 L HA 0.089 4.428 4.340 -0.001 0.000 0.198 374 L C 0.241 177.161 176.870 0.083 0.000 1.079 374 L CA 0.507 55.363 54.840 0.027 0.000 0.780 374 L CB 0.112 42.178 42.059 0.012 0.000 0.955 374 L HN 0.163 nan 8.230 nan 0.000 0.462 375 H N -0.453 118.581 119.070 -0.060 0.000 3.275 375 H HA 0.319 4.874 4.556 -0.000 0.000 0.326 375 H C -2.723 172.561 175.328 -0.073 0.000 1.096 375 H CA -1.946 54.069 56.048 -0.056 0.000 1.579 375 H CB 1.345 31.073 29.762 -0.057 0.000 1.834 375 H HN -0.188 nan 8.280 nan 0.000 0.510 376 P HA 0.152 nan 4.420 nan 0.000 0.266 376 P C -0.754 176.273 177.300 -0.454 0.000 1.195 376 P CA 0.229 63.135 63.100 -0.323 0.000 0.768 376 P CB 0.873 32.507 31.700 -0.110 0.000 0.838 377 T N -0.602 113.784 114.554 -0.279 0.000 2.894 377 T HA 0.430 4.779 4.350 -0.001 0.000 0.309 377 T C -2.542 172.044 174.700 -0.191 0.000 1.208 377 T CA -2.099 59.851 62.100 -0.250 0.000 1.016 377 T CB 1.542 70.281 68.868 -0.215 0.000 1.192 377 T HN -0.048 nan 8.240 nan 0.000 0.491 378 P HA -0.072 nan 4.420 nan 0.000 0.215 378 P C 1.392 178.511 177.300 -0.302 0.000 1.153 378 P CA 0.996 63.959 63.100 -0.229 0.000 0.853 378 P CB -0.012 31.512 31.700 -0.292 0.000 0.788 379 N N -0.509 117.951 118.700 -0.400 0.000 2.104 379 N HA -0.141 4.598 4.740 -0.001 0.000 0.190 379 N C 1.834 176.805 175.510 -0.898 0.000 1.024 379 N CA 2.006 54.628 53.050 -0.713 0.000 0.853 379 N CB -0.978 37.099 38.487 -0.683 0.000 1.008 379 N HN 0.237 nan 8.380 nan 0.000 0.424 380 S N -0.431 114.942 115.700 -0.544 0.000 2.383 380 S HA -0.113 4.357 4.470 -0.001 0.000 0.227 380 S C 1.998 176.274 174.600 -0.541 0.000 1.026 380 S CA 0.680 58.608 58.200 -0.454 0.000 0.981 380 S CB -0.713 62.248 63.200 -0.400 0.000 0.818 380 S HN 0.300 nan 8.310 nan 0.000 0.472 381 Y N 1.824 121.849 120.300 -0.458 0.000 2.200 381 Y HA 0.128 4.678 4.550 -0.001 0.000 0.290 381 Y C 2.360 177.824 175.900 -0.727 0.000 1.137 381 Y CA 0.753 58.521 58.100 -0.554 0.000 1.163 381 Y CB -0.568 37.625 38.460 -0.444 0.000 0.988 381 Y HN 0.219 nan 8.280 nan 0.000 0.518 382 I N -1.255 118.945 120.570 -0.617 0.000 2.151 382 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 382 I C 1.936 177.872 176.117 -0.301 0.000 1.080 382 I CA 1.349 62.237 61.300 -0.687 0.000 1.339 382 I CB -0.473 37.224 38.000 -0.505 0.000 1.039 382 I HN 0.101 nan 8.210 nan 0.000 0.409 383 F N 0.110 119.853 119.950 -0.345 0.000 2.146 383 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 383 F C 2.279 177.837 175.800 -0.404 0.000 1.096 383 F CA 0.998 58.804 58.000 -0.323 0.000 1.275 383 F CB -1.206 37.641 39.000 -0.254 0.000 1.008 383 F HN 0.044 nan 8.300 nan 0.000 0.480 384 L N 0.461 121.507 121.223 -0.295 0.000 2.093 384 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 384 L C 2.389 178.969 176.870 -0.482 0.000 1.085 384 L CA 1.793 56.367 54.840 -0.444 0.000 0.755 384 L CB -1.205 40.436 42.059 -0.696 0.000 0.904 384 L HN 0.035 nan 8.230 nan 0.000 0.435 385 A N -0.402 122.094 122.820 -0.540 0.000 1.883 385 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 385 A C 2.270 179.907 177.584 0.088 0.000 1.186 385 A CA 2.081 54.000 52.037 -0.196 0.000 0.624 385 A CB -0.939 17.850 19.000 -0.351 0.000 0.822 385 A HN 0.489 nan 8.150 nan 0.000 0.444 386 L N -0.750 120.467 121.223 -0.010 0.000 2.042 386 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 386 L C 2.785 179.500 176.870 -0.258 0.000 1.076 386 L CA 1.843 56.631 54.840 -0.086 0.000 0.749 386 L CB -0.985 40.843 42.059 -0.385 0.000 0.893 386 L HN 0.366 nan 8.230 nan 0.000 0.432 387 T N 0.047 114.398 114.554 -0.339 0.000 2.788 387 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 387 T C 1.657 176.415 174.700 0.097 0.000 1.044 387 T CA 1.144 63.202 62.100 -0.071 0.000 1.139 387 T CB -0.097 68.738 68.868 -0.055 0.000 0.867 387 T HN 0.219 nan 8.240 nan 0.000 0.454 388 L N 0.510 121.790 121.223 0.095 0.000 2.667 388 L HA 0.427 4.767 4.340 -0.001 0.000 0.232 388 L C 1.067 178.063 176.870 0.210 0.000 1.138 388 L CA -0.664 54.276 54.840 0.167 0.000 0.921 388 L CB -0.291 41.903 42.059 0.225 0.000 1.180 388 L HN 0.093 nan 8.230 nan 0.000 0.487 389 A N 0.517 123.472 122.820 0.224 0.000 2.561 389 A HA 0.105 4.425 4.320 -0.001 0.000 0.234 389 A C -0.219 177.435 177.584 0.117 0.000 1.055 389 A CA 0.493 52.651 52.037 0.202 0.000 0.756 389 A CB 0.056 19.145 19.000 0.148 0.000 0.986 389 A HN 0.222 nan 8.150 nan 0.000 0.505 390 D N 1.144 121.587 120.400 0.071 0.000 2.602 390 D HA 0.202 4.842 4.640 -0.001 0.000 0.245 390 D C 0.602 176.915 176.300 0.022 0.000 1.325 390 D CA -0.502 53.533 54.000 0.058 0.000 0.952 390 D CB 1.094 41.940 40.800 0.077 0.000 1.317 390 D HN 0.495 nan 8.370 nan 0.000 0.577 391 K N 1.832 122.241 120.400 0.016 0.000 2.281 391 K HA -0.176 4.144 4.320 -0.001 0.000 0.203 391 K C 1.067 177.674 176.600 0.012 0.000 1.046 391 K CA 1.042 57.331 56.287 0.004 0.000 0.938 391 K CB 0.452 32.956 32.500 0.007 0.000 0.737 391 K HN 0.359 nan 8.250 nan 0.000 0.458 392 E N 0.698 120.911 120.200 0.022 0.000 2.021 392 E HA -0.007 4.342 4.350 -0.001 0.000 0.191 392 E C 0.294 176.914 176.600 0.033 0.000 0.971 392 E CA 0.820 57.235 56.400 0.025 0.000 0.825 392 E CB 0.182 29.898 29.700 0.026 0.000 0.788 392 E HN 0.004 nan 8.360 nan 0.000 0.460 393 N N 0.055 118.781 118.700 0.044 0.000 2.444 393 N HA 0.079 4.818 4.740 -0.001 0.000 0.262 393 N C -0.732 174.828 175.510 0.083 0.000 0.974 393 N CA 0.188 53.273 53.050 0.059 0.000 0.933 393 N CB 1.426 39.944 38.487 0.053 0.000 1.137 393 N HN 0.145 nan 8.380 nan 0.000 0.498 394 S N 2.493 118.262 115.700 0.115 0.000 2.582 394 S HA 0.090 4.560 4.470 -0.001 0.000 0.234 394 S C 1.027 175.814 174.600 0.313 0.000 0.961 394 S CA -0.279 58.023 58.200 0.170 0.000 0.953 394 S CB 0.336 63.639 63.200 0.170 0.000 0.800 394 S HN 0.436 nan 8.310 nan 0.000 0.471 395 Q N 1.955 121.879 119.800 0.207 0.000 2.079 395 Q HA -0.065 4.275 4.340 -0.001 0.000 0.200 395 Q C 1.995 178.078 176.000 0.138 0.000 0.974 395 Q CA 1.705 57.619 55.803 0.186 0.000 0.840 395 Q CB -0.411 28.380 28.738 0.088 0.000 0.898 395 Q HN 0.893 nan 8.270 nan 0.000 0.430 396 E N -0.034 120.206 120.200 0.067 0.000 2.072 396 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 396 E C 1.846 178.414 176.600 -0.054 0.000 0.985 396 E CA 0.528 56.872 56.400 -0.093 0.000 0.801 396 E CB -0.198 29.445 29.700 -0.094 0.000 0.750 396 E HN 0.230 nan 8.360 nan 0.000 0.452 397 F N 0.384 120.341 119.950 0.011 0.000 2.063 397 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 397 F C 1.729 177.531 175.800 0.004 0.000 1.109 397 F CA 1.868 59.889 58.000 0.035 0.000 1.212 397 F CB -0.314 38.547 39.000 -0.231 0.000 0.973 397 F HN 0.048 nan 8.300 nan 0.000 0.480 398 F N 0.834 120.942 119.950 0.263 0.000 2.325 398 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 398 F C 2.289 178.122 175.800 0.054 0.000 1.090 398 F CA 1.442 59.525 58.000 0.139 0.000 1.392 398 F CB -0.758 38.293 39.000 0.085 0.000 1.053 398 F HN 0.017 nan 8.300 nan 0.000 0.521 399 K N -0.242 120.217 120.400 0.097 0.000 2.097 399 K HA -0.144 4.175 4.320 -0.001 0.000 0.205 399 K C 1.669 178.197 176.600 -0.119 0.000 1.050 399 K CA 1.638 57.891 56.287 -0.055 0.000 0.938 399 K CB -1.293 31.113 32.500 -0.157 0.000 0.718 399 K HN 0.032 nan 8.250 nan 0.000 0.442 400 F N 0.599 120.497 119.950 -0.085 0.000 2.126 400 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 400 F C 1.894 177.470 175.800 -0.372 0.000 1.096 400 F CA 0.961 58.831 58.000 -0.217 0.000 1.255 400 F CB -0.784 38.103 39.000 -0.189 0.000 0.997 400 F HN -0.080 nan 8.300 nan 0.000 0.479 401 F N -0.193 119.678 119.950 -0.131 0.000 2.234 401 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 401 F C 2.554 178.273 175.800 -0.135 0.000 1.087 401 F CA 1.318 59.209 58.000 -0.181 0.000 1.340 401 F CB -0.761 38.105 39.000 -0.225 0.000 1.031 401 F HN -0.060 nan 8.300 nan 0.000 0.500 402 Q N 1.035 120.864 119.800 0.048 0.000 2.084 402 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 402 Q C 1.952 177.873 176.000 -0.132 0.000 0.978 402 Q CA 1.747 57.543 55.803 -0.012 0.000 0.844 402 Q CB -0.230 28.512 28.738 0.007 0.000 0.898 402 Q HN 0.247 nan 8.270 nan 0.000 0.426 403 K N -0.447 119.795 120.400 -0.262 0.000 2.057 403 K HA -0.085 4.235 4.320 -0.001 0.000 0.207 403 K C 2.028 178.348 176.600 -0.467 0.000 1.049 403 K CA 1.096 57.106 56.287 -0.463 0.000 0.931 403 K CB -0.267 31.711 32.500 -0.870 0.000 0.714 403 K HN 0.280 nan 8.250 nan 0.000 0.440 404 A N 1.342 123.903 122.820 -0.433 0.000 1.877 404 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 404 A C 2.454 179.935 177.584 -0.172 0.000 1.186 404 A CA 1.409 53.274 52.037 -0.286 0.000 0.620 404 A CB -0.734 18.048 19.000 -0.363 0.000 0.822 404 A HN 0.056 nan 8.150 nan 0.000 0.443 405 V N 0.879 120.705 119.914 -0.146 0.000 2.287 405 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 405 V C 2.215 178.289 176.094 -0.033 0.000 1.053 405 V CA 2.434 64.685 62.300 -0.080 0.000 1.027 405 V CB -0.941 30.857 31.823 -0.041 0.000 0.646 405 V HN 0.515 nan 8.190 nan 0.000 0.447 406 D N 0.032 120.394 120.400 -0.064 0.000 2.158 406 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 406 D C 2.035 178.306 176.300 -0.048 0.000 0.995 406 D CA 1.302 55.272 54.000 -0.051 0.000 0.846 406 D CB -0.307 40.444 40.800 -0.081 0.000 0.941 406 D HN 0.370 nan 8.370 nan 0.000 0.456 407 L N -0.757 120.418 121.223 -0.079 0.000 2.217 407 L HA -0.041 4.299 4.340 -0.001 0.000 0.211 407 L C 0.617 177.463 176.870 -0.040 0.000 1.107 407 L CA 0.557 55.355 54.840 -0.069 0.000 0.783 407 L CB 0.018 42.019 42.059 -0.096 0.000 0.919 407 L HN -0.032 nan 8.230 nan 0.000 0.442 408 N N -1.544 117.149 118.700 -0.013 0.000 3.049 408 N HA 0.128 4.868 4.740 -0.001 0.000 0.241 408 N C -2.473 173.114 175.510 0.128 0.000 1.323 408 N CA -0.843 52.235 53.050 0.046 0.000 0.824 408 N CB 1.245 39.739 38.487 0.013 0.000 1.557 408 N HN -0.309 nan 8.380 nan 0.000 0.612 409 P HA 0.154 nan 4.420 nan 0.000 0.245 409 P C -0.153 177.345 177.300 0.329 0.000 1.212 409 P CA 0.728 63.978 63.100 0.250 0.000 0.774 409 P CB 0.412 32.218 31.700 0.177 0.000 0.999 410 E N -1.469 118.895 120.200 0.273 0.000 2.685 410 E HA 0.127 4.476 4.350 -0.001 0.000 0.208 410 E C -0.750 176.051 176.600 0.335 0.000 0.996 410 E CA -0.476 56.077 56.400 0.255 0.000 1.054 410 E CB -0.098 29.701 29.700 0.165 0.000 1.075 410 E HN 0.246 nan 8.360 nan 0.000 0.460 411 Y N 1.931 122.380 120.300 0.247 0.000 2.417 411 Y HA 0.303 4.853 4.550 -0.001 0.000 0.336 411 Y C -1.849 174.222 175.900 0.286 0.000 0.961 411 Y CA -2.948 55.273 58.100 0.202 0.000 1.215 411 Y CB 1.310 39.841 38.460 0.118 0.000 1.120 411 Y HN -0.103 nan 8.280 nan 0.000 0.499 412 P HA -0.103 nan 4.420 nan 0.000 0.215 412 P C -1.494 175.776 177.300 -0.051 0.000 1.157 412 P CA 1.728 64.838 63.100 0.016 0.000 0.874 412 P CB -0.555 31.116 31.700 -0.049 0.000 0.790 413 P HA -0.110 nan 4.420 nan 0.000 0.219 413 P C 1.462 178.865 177.300 0.171 0.000 1.146 413 P CA 1.728 64.717 63.100 -0.186 0.000 0.808 413 P CB -0.775 30.670 31.700 -0.426 0.000 0.779 414 T N -1.344 113.273 114.554 0.105 0.000 2.635 414 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 414 T C 1.437 176.229 174.700 0.154 0.000 1.040 414 T CA 1.680 63.877 62.100 0.162 0.000 1.156 414 T CB -1.132 67.693 68.868 -0.072 0.000 0.863 414 T HN 0.138 nan 8.240 nan 0.000 0.430 415 Y N -0.474 119.967 120.300 0.236 0.000 2.220 415 Y HA -0.002 4.547 4.550 -0.001 0.000 0.291 415 Y C 2.302 178.269 175.900 0.111 0.000 1.129 415 Y CA 0.570 58.764 58.100 0.157 0.000 1.161 415 Y CB -0.729 37.800 38.460 0.115 0.000 0.997 415 Y HN 0.218 nan 8.280 nan 0.000 0.522 416 Y N 0.223 120.641 120.300 0.198 0.000 2.097 416 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 416 Y C 2.657 178.582 175.900 0.041 0.000 1.152 416 Y CA 2.037 60.218 58.100 0.137 0.000 1.136 416 Y CB -0.607 37.853 38.460 0.000 0.000 0.975 416 Y HN 0.178 nan 8.280 nan 0.000 0.498 417 H N -0.458 118.713 119.070 0.170 0.000 2.389 417 H HA -0.106 4.450 4.556 -0.001 0.000 0.299 417 H C 2.425 177.619 175.328 -0.223 0.000 1.081 417 H CA 1.681 57.771 56.048 0.070 0.000 1.345 417 H CB -0.118 29.852 29.762 0.347 0.000 1.393 417 H HN 0.347 nan 8.280 nan 0.000 0.520 418 R N 0.496 120.824 120.500 -0.288 0.000 2.075 418 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 418 R C 2.608 178.758 176.300 -0.250 0.000 1.126 418 R CA 1.147 56.941 56.100 -0.510 0.000 0.963 418 R CB -0.371 29.719 30.300 -0.350 0.000 0.858 418 R HN 0.282 nan 8.270 nan 0.000 0.435 419 G N 0.420 109.046 108.800 -0.290 0.000 2.469 419 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.219 419 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.219 419 G C 1.229 175.842 174.900 -0.478 0.000 1.150 419 G CA 0.591 45.272 45.100 -0.699 0.000 0.763 419 G HN 0.388 nan 8.290 nan 0.000 0.561 420 Q N -0.931 118.721 119.800 -0.247 0.000 2.096 420 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 420 Q C 2.508 178.534 176.000 0.044 0.000 0.982 420 Q CA 1.653 57.492 55.803 0.060 0.000 0.850 420 Q CB -0.271 28.424 28.738 -0.071 0.000 0.901 420 Q HN 0.513 nan 8.270 nan 0.000 0.422 421 M N -0.396 119.128 119.600 -0.127 0.000 2.099 421 M HA -0.157 4.323 4.480 -0.001 0.000 0.262 421 M C 1.536 177.809 176.300 -0.045 0.000 1.067 421 M CA 1.600 56.736 55.300 -0.272 0.000 1.124 421 M CB -0.518 31.605 32.600 -0.795 0.000 1.353 421 M HN 0.089 nan 8.290 nan 0.000 0.410 422 Y N -0.720 119.624 120.300 0.074 0.000 2.207 422 Y HA -0.231 4.319 4.550 -0.001 0.000 0.287 422 Y C 2.341 178.334 175.900 0.155 0.000 1.156 422 Y CA 1.834 59.991 58.100 0.096 0.000 1.182 422 Y CB -1.069 37.392 38.460 0.001 0.000 0.979 422 Y HN 0.329 nan 8.280 nan 0.000 0.521 423 F N -0.489 119.581 119.950 0.200 0.000 2.075 423 F HA -0.270 4.257 4.527 -0.001 0.000 0.297 423 F C 2.123 178.050 175.800 0.210 0.000 1.113 423 F CA 0.696 58.861 58.000 0.276 0.000 1.218 423 F CB -0.115 39.087 39.000 0.337 0.000 0.984 423 F HN -0.063 nan 8.300 nan 0.000 0.472 424 I N 0.941 121.662 120.570 0.252 0.000 2.208 424 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 424 I C 2.124 178.290 176.117 0.081 0.000 1.097 424 I CA 1.531 62.876 61.300 0.074 0.000 1.363 424 I CB -1.119 36.873 38.000 -0.014 0.000 1.051 424 I HN 0.250 nan 8.210 nan 0.000 0.413 425 L N 0.057 121.333 121.223 0.089 0.000 2.610 425 L HA -0.068 4.271 4.340 -0.001 0.000 0.232 425 L C 0.785 177.661 176.870 0.011 0.000 1.149 425 L CA 0.286 55.160 54.840 0.057 0.000 0.872 425 L CB -0.523 41.590 42.059 0.090 0.000 0.992 425 L HN 0.386 nan 8.230 nan 0.000 0.447 426 Q N -0.710 119.102 119.800 0.021 0.000 2.494 426 Q HA -0.247 4.092 4.340 -0.001 0.000 0.266 426 Q C 0.046 175.681 176.000 -0.609 0.000 1.053 426 Q CA 0.797 56.401 55.803 -0.331 0.000 1.029 426 Q CB -1.274 27.311 28.738 -0.255 0.000 1.423 426 Q HN 0.351 nan 8.270 nan 0.000 0.516 427 D N -0.462 119.806 120.400 -0.220 0.000 2.522 427 D HA 0.076 4.715 4.640 -0.001 0.000 0.218 427 D C 0.250 176.461 176.300 -0.147 0.000 1.149 427 D CA -0.154 53.728 54.000 -0.196 0.000 0.981 427 D CB 0.093 40.868 40.800 -0.042 0.000 1.041 427 D HN 0.144 nan 8.370 nan 0.000 0.518 428 Y N 1.889 122.155 120.300 -0.057 0.000 2.314 428 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 428 Y C 2.384 178.184 175.900 -0.166 0.000 1.129 428 Y CA 0.582 58.613 58.100 -0.116 0.000 1.201 428 Y CB -0.293 38.110 38.460 -0.095 0.000 0.999 428 Y HN 0.312 nan 8.280 nan 0.000 0.541 429 K N 0.759 121.138 120.400 -0.035 0.000 2.002 429 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 429 K C 1.600 178.073 176.600 -0.211 0.000 1.048 429 K CA 2.014 58.236 56.287 -0.108 0.000 0.930 429 K CB -0.302 32.127 32.500 -0.118 0.000 0.714 429 K HN 0.345 nan 8.250 nan 0.000 0.438 430 N N -0.045 118.429 118.700 -0.378 0.000 2.244 430 N HA -0.121 4.619 4.740 -0.001 0.000 0.183 430 N C 1.710 176.908 175.510 -0.520 0.000 1.016 430 N CA 0.903 53.558 53.050 -0.658 0.000 0.866 430 N CB -0.098 37.522 38.487 -1.445 0.000 0.980 430 N HN 0.300 nan 8.380 nan 0.000 0.430 431 A N 1.554 124.182 122.820 -0.319 0.000 1.877 431 A HA -0.220 4.100 4.320 -0.001 0.000 0.216 431 A C 2.049 179.460 177.584 -0.287 0.000 1.186 431 A CA 1.412 53.296 52.037 -0.254 0.000 0.620 431 A CB -0.513 18.444 19.000 -0.072 0.000 0.822 431 A HN 0.211 nan 8.150 nan 0.000 0.443 432 K N -0.621 119.706 120.400 -0.122 0.000 2.063 432 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 432 K C 1.796 178.364 176.600 -0.054 0.000 1.048 432 K CA 1.643 57.906 56.287 -0.040 0.000 0.928 432 K CB -0.132 32.328 32.500 -0.067 0.000 0.713 432 K HN 0.377 nan 8.250 nan 0.000 0.442 433 E N 1.122 121.258 120.200 -0.106 0.000 2.106 433 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 433 E C 1.744 178.307 176.600 -0.061 0.000 0.984 433 E CA 1.035 57.385 56.400 -0.083 0.000 0.806 433 E CB -0.254 29.387 29.700 -0.098 0.000 0.750 433 E HN 0.390 nan 8.360 nan 0.000 0.458 434 D N -0.106 120.246 120.400 -0.081 0.000 2.117 434 D HA -0.095 4.544 4.640 -0.001 0.000 0.198 434 D C 1.769 178.064 176.300 -0.008 0.000 0.982 434 D CA 0.629 54.621 54.000 -0.013 0.000 0.828 434 D CB -0.277 40.509 40.800 -0.024 0.000 0.967 434 D HN 0.125 nan 8.370 nan 0.000 0.464 435 F N 1.367 121.326 119.950 0.014 0.000 2.186 435 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 435 F C 2.556 178.326 175.800 -0.051 0.000 1.090 435 F CA 0.740 58.733 58.000 -0.011 0.000 1.307 435 F CB -0.723 38.227 39.000 -0.083 0.000 1.019 435 F HN -0.009 nan 8.300 nan 0.000 0.489 436 Q N -0.236 119.622 119.800 0.096 0.000 2.119 436 Q HA -0.223 4.117 4.340 -0.001 0.000 0.201 436 Q C 2.181 178.156 176.000 -0.042 0.000 0.972 436 Q CA 1.371 57.177 55.803 0.005 0.000 0.847 436 Q CB -0.172 28.557 28.738 -0.014 0.000 0.903 436 Q HN 0.108 nan 8.270 nan 0.000 0.433 437 K N 1.095 121.446 120.400 -0.083 0.000 2.026 437 K HA -0.092 4.228 4.320 -0.001 0.000 0.208 437 K C 1.806 178.312 176.600 -0.157 0.000 1.048 437 K CA 1.503 57.651 56.287 -0.232 0.000 0.929 437 K CB -0.570 31.618 32.500 -0.521 0.000 0.713 437 K HN 0.166 nan 8.250 nan 0.000 0.439 438 A N 0.715 123.548 122.820 0.022 0.000 1.908 438 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 438 A C 2.251 179.855 177.584 0.033 0.000 1.181 438 A CA 1.976 54.084 52.037 0.119 0.000 0.627 438 A CB -0.734 18.440 19.000 0.289 0.000 0.818 438 A HN 0.590 nan 8.150 nan 0.000 0.445 439 Q N -0.458 119.334 119.800 -0.015 0.000 2.061 439 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 439 Q C 2.356 178.318 176.000 -0.064 0.000 0.984 439 Q CA 2.027 57.756 55.803 -0.125 0.000 0.846 439 Q CB -0.245 28.331 28.738 -0.271 0.000 0.902 439 Q HN 0.644 nan 8.270 nan 0.000 0.421 440 S N -0.065 115.604 115.700 -0.053 0.000 2.356 440 S HA -0.124 4.345 4.470 -0.001 0.000 0.223 440 S C 1.934 176.531 174.600 -0.004 0.000 1.032 440 S CA 1.185 59.367 58.200 -0.029 0.000 1.005 440 S CB -0.276 62.895 63.200 -0.049 0.000 0.867 440 S HN 0.467 nan 8.310 nan 0.000 0.449 441 L N 0.792 122.010 121.223 -0.009 0.000 2.201 441 L HA 0.080 4.419 4.340 -0.001 0.000 0.212 441 L C 0.836 177.736 176.870 0.050 0.000 1.105 441 L CA 0.722 55.578 54.840 0.026 0.000 0.775 441 L CB -0.306 41.778 42.059 0.042 0.000 0.913 441 L HN 0.322 nan 8.230 nan 0.000 0.440 442 N N -0.528 118.201 118.700 0.047 0.000 2.725 442 N HA 0.151 4.890 4.740 -0.001 0.000 0.248 442 N C -2.155 173.420 175.510 0.109 0.000 1.402 442 N CA -1.663 51.430 53.050 0.073 0.000 0.766 442 N CB 0.992 39.512 38.487 0.055 0.000 1.223 442 N HN -0.179 nan 8.380 nan 0.000 0.515 443 P HA 0.067 nan 4.420 nan 0.000 0.245 443 P C 0.218 177.764 177.300 0.409 0.000 1.212 443 P CA 0.636 63.876 63.100 0.234 0.000 0.774 443 P CB 0.606 32.414 31.700 0.180 0.000 0.999 444 E N -0.668 119.717 120.200 0.308 0.000 2.479 444 E HA 0.057 4.407 4.350 -0.001 0.000 0.193 444 E C 0.486 177.342 176.600 0.427 0.000 1.049 444 E CA 0.020 56.643 56.400 0.371 0.000 0.870 444 E CB -0.306 29.525 29.700 0.218 0.000 0.944 444 E HN 0.274 nan 8.360 nan 0.000 0.492 445 N N 1.205 120.087 118.700 0.304 0.000 2.426 445 N HA 0.014 4.754 4.740 -0.001 0.000 0.275 445 N C 0.820 176.324 175.510 -0.011 0.000 1.019 445 N CA -0.046 53.075 53.050 0.119 0.000 0.941 445 N CB 2.037 40.560 38.487 0.059 0.000 1.123 445 N HN -0.163 nan 8.380 nan 0.000 0.486 446 V N 5.444 125.079 119.914 -0.465 0.000 2.809 446 V HA -0.153 3.967 4.120 -0.001 0.000 0.256 446 V C 1.121 176.986 176.094 -0.382 0.000 1.080 446 V CA 1.425 63.222 62.300 -0.839 0.000 1.102 446 V CB -0.709 30.380 31.823 -1.223 0.000 0.705 446 V HN 0.654 nan 8.190 nan 0.000 0.475 447 Y N 0.740 120.896 120.300 -0.241 0.000 2.181 447 Y HA -0.063 4.486 4.550 -0.001 0.000 0.288 447 Y C 0.173 175.980 175.900 -0.154 0.000 1.146 447 Y CA 2.052 59.994 58.100 -0.265 0.000 1.164 447 Y CB -1.738 36.468 38.460 -0.423 0.000 0.982 447 Y HN 0.391 nan 8.280 nan 0.000 0.515 448 P HA -0.194 nan 4.420 nan 0.000 0.216 448 P C 0.830 178.001 177.300 -0.216 0.000 1.150 448 P CA 1.721 64.800 63.100 -0.035 0.000 0.837 448 P CB -0.189 31.474 31.700 -0.061 0.000 0.786 449 Y N -1.028 119.224 120.300 -0.079 0.000 2.163 449 Y HA -0.135 4.415 4.550 -0.001 0.000 0.288 449 Y C 2.358 178.109 175.900 -0.249 0.000 1.136 449 Y CA 1.000 59.109 58.100 0.016 0.000 1.147 449 Y CB -1.210 37.312 38.460 0.103 0.000 0.987 449 Y HN -0.133 nan 8.280 nan 0.000 0.509 450 I N -0.262 120.202 120.570 -0.177 0.000 2.208 450 I HA -0.339 3.831 4.170 -0.001 0.000 0.245 450 I C 2.321 178.178 176.117 -0.434 0.000 1.097 450 I CA 1.196 62.261 61.300 -0.391 0.000 1.363 450 I CB -0.355 37.332 38.000 -0.521 0.000 1.051 450 I HN 0.301 nan 8.210 nan 0.000 0.413 451 Q N 0.387 119.915 119.800 -0.454 0.000 2.084 451 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 451 Q C 2.390 178.010 176.000 -0.632 0.000 0.978 451 Q CA 1.518 56.961 55.803 -0.600 0.000 0.844 451 Q CB -0.537 27.345 28.738 -1.426 0.000 0.898 451 Q HN 0.528 nan 8.270 nan 0.000 0.426 452 L N 0.218 121.032 121.223 -0.682 0.000 2.042 452 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 452 L C 2.450 178.778 176.870 -0.904 0.000 1.076 452 L CA 1.299 55.707 54.840 -0.721 0.000 0.749 452 L CB -0.646 40.945 42.059 -0.779 0.000 0.893 452 L HN 0.130 nan 8.230 nan 0.000 0.432 453 A N -1.105 121.108 122.820 -1.012 0.000 1.898 453 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 453 A C 2.398 179.786 177.584 -0.326 0.000 1.181 453 A CA 1.679 53.199 52.037 -0.860 0.000 0.620 453 A CB -1.139 17.048 19.000 -1.356 0.000 0.819 453 A HN 0.531 nan 8.150 nan 0.000 0.442 454 C N -1.219 117.989 119.300 -0.154 0.000 2.425 454 C HA -0.077 4.382 4.460 -0.001 0.000 0.277 454 C C 2.488 177.573 174.990 0.158 0.000 1.280 454 C CA 1.114 60.288 59.018 0.260 0.000 1.744 454 C CB -1.363 26.648 27.740 0.451 0.000 1.989 454 C HN 0.634 nan 8.230 nan 0.000 0.491 455 L N 0.742 121.836 121.223 -0.215 0.000 2.042 455 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 455 L C 2.301 178.984 176.870 -0.312 0.000 1.076 455 L CA 1.780 56.332 54.840 -0.480 0.000 0.749 455 L CB -0.940 40.775 42.059 -0.573 0.000 0.893 455 L HN 0.321 nan 8.230 nan 0.000 0.432 456 L N -2.093 119.011 121.223 -0.199 0.000 2.042 456 L HA -0.276 4.063 4.340 -0.001 0.000 0.210 456 L C 2.505 179.400 176.870 0.042 0.000 1.076 456 L CA 1.629 56.417 54.840 -0.087 0.000 0.749 456 L CB -0.884 41.132 42.059 -0.072 0.000 0.893 456 L HN 0.338 nan 8.230 nan 0.000 0.432 457 Y N 1.033 121.355 120.300 0.038 0.000 2.163 457 Y HA -0.199 4.352 4.550 0.000 0.000 0.288 457 Y C 2.502 178.448 175.900 0.077 0.000 1.136 457 Y CA 1.424 59.612 58.100 0.147 0.000 1.147 457 Y CB -0.060 38.566 38.460 0.276 0.000 0.987 457 Y HN -0.070 nan 8.280 nan 0.000 0.509 458 K N 0.549 120.880 120.400 -0.114 0.000 2.209 458 K HA -0.173 4.146 4.320 -0.001 0.000 0.204 458 K C 1.901 178.327 176.600 -0.289 0.000 1.048 458 K CA 1.445 57.577 56.287 -0.257 0.000 0.940 458 K CB -0.430 31.939 32.500 -0.219 0.000 0.729 458 K HN 0.584 nan 8.250 nan 0.000 0.451 459 Q N -0.670 118.957 119.800 -0.287 0.000 2.435 459 Q HA 0.004 4.344 4.340 -0.001 0.000 0.207 459 Q C 0.403 176.365 176.000 -0.064 0.000 0.956 459 Q CA 0.666 56.385 55.803 -0.139 0.000 0.917 459 Q CB 0.297 28.962 28.738 -0.122 0.000 0.997 459 Q HN 0.521 nan 8.270 nan 0.000 0.497 460 G N 1.390 110.128 108.800 -0.105 0.000 2.141 460 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.195 460 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.195 460 G C -0.359 174.551 174.900 0.018 0.000 1.012 460 G CA -0.360 44.702 45.100 -0.064 0.000 0.696 460 G HN 0.172 nan 8.290 nan 0.000 0.508 461 K N 0.028 120.462 120.400 0.058 0.000 2.624 461 K HA 0.415 4.734 4.320 -0.001 0.000 0.200 461 K C 0.666 177.413 176.600 0.245 0.000 1.036 461 K CA -0.995 55.367 56.287 0.125 0.000 1.029 461 K CB 0.656 33.197 32.500 0.067 0.000 1.317 461 K HN 0.088 nan 8.250 nan 0.000 0.555 462 F N 1.878 121.942 119.950 0.190 0.000 2.060 462 F HA -0.212 4.314 4.527 -0.001 0.000 0.295 462 F C 1.915 177.854 175.800 0.231 0.000 1.120 462 F CA 1.929 60.107 58.000 0.297 0.000 1.205 462 F CB -0.095 39.069 39.000 0.274 0.000 0.986 462 F HN 0.326 nan 8.300 nan 0.000 0.470 463 T N 0.598 115.216 114.554 0.107 0.000 2.592 463 T HA -0.302 4.047 4.350 -0.001 0.000 0.267 463 T C 1.775 176.443 174.700 -0.054 0.000 1.060 463 T CA 2.228 64.314 62.100 -0.024 0.000 1.167 463 T CB -0.569 68.346 68.868 0.078 0.000 0.863 463 T HN 0.419 nan 8.240 nan 0.000 0.431 464 E N 0.514 120.728 120.200 0.024 0.000 2.118 464 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 464 E C 2.520 179.156 176.600 0.060 0.000 0.992 464 E CA 1.198 57.624 56.400 0.043 0.000 0.804 464 E CB -0.232 29.503 29.700 0.058 0.000 0.741 464 E HN 0.387 nan 8.360 nan 0.000 0.458 465 S N 0.835 116.571 115.700 0.061 0.000 2.348 465 S HA -0.260 4.209 4.470 -0.001 0.000 0.221 465 S C 2.050 176.742 174.600 0.153 0.000 1.033 465 S CA 1.691 59.968 58.200 0.129 0.000 1.010 465 S CB -0.137 63.239 63.200 0.293 0.000 0.891 465 S HN 0.311 nan 8.310 nan 0.000 0.442 466 E N 0.366 120.514 120.200 -0.087 0.000 2.058 466 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 466 E C 2.137 178.638 176.600 -0.166 0.000 0.997 466 E CA 1.161 57.415 56.400 -0.244 0.000 0.801 466 E CB -0.471 28.957 29.700 -0.453 0.000 0.746 466 E HN 0.619 nan 8.360 nan 0.000 0.450 467 A N 0.324 123.091 122.820 -0.088 0.000 1.908 467 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 467 A C 2.018 179.582 177.584 -0.034 0.000 1.181 467 A CA 1.327 53.329 52.037 -0.059 0.000 0.627 467 A CB -0.897 18.082 19.000 -0.034 0.000 0.818 467 A HN 0.493 nan 8.150 nan 0.000 0.445 468 F N -1.179 118.699 119.950 -0.121 0.000 2.146 468 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 468 F C 1.955 177.639 175.800 -0.193 0.000 1.096 468 F CA 1.545 59.453 58.000 -0.153 0.000 1.275 468 F CB -0.165 38.713 39.000 -0.202 0.000 1.008 468 F HN 0.239 nan 8.300 nan 0.000 0.480 469 F N 0.544 120.512 119.950 0.029 0.000 2.126 469 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 469 F C 2.321 177.990 175.800 -0.218 0.000 1.096 469 F CA 1.859 59.771 58.000 -0.147 0.000 1.255 469 F CB -1.188 37.531 39.000 -0.468 0.000 0.997 469 F HN 0.020 nan 8.300 nan 0.000 0.479 470 N N 0.256 118.903 118.700 -0.087 0.000 2.069 470 N HA -0.205 4.534 4.740 -0.001 0.000 0.191 470 N C 1.807 177.248 175.510 -0.114 0.000 1.031 470 N CA 1.712 54.688 53.050 -0.123 0.000 0.852 470 N CB -0.170 38.239 38.487 -0.130 0.000 1.018 470 N HN 0.069 nan 8.380 nan 0.000 0.423 471 E N -0.530 119.578 120.200 -0.154 0.000 2.110 471 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 471 E C 1.928 178.404 176.600 -0.206 0.000 0.988 471 E CA 1.290 57.565 56.400 -0.210 0.000 0.804 471 E CB -0.653 28.855 29.700 -0.321 0.000 0.745 471 E HN 0.490 nan 8.360 nan 0.000 0.458 472 T N 1.195 115.653 114.554 -0.160 0.000 2.737 472 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 472 T C 1.897 176.606 174.700 0.014 0.000 1.038 472 T CA 1.225 63.277 62.100 -0.080 0.000 1.144 472 T CB -0.082 68.793 68.868 0.011 0.000 0.866 472 T HN 0.118 nan 8.240 nan 0.000 0.434 473 K N 0.670 121.075 120.400 0.007 0.000 2.113 473 K HA -0.031 4.288 4.320 -0.001 0.000 0.208 473 K C 2.187 178.762 176.600 -0.041 0.000 1.047 473 K CA 1.051 57.343 56.287 0.008 0.000 0.928 473 K CB -0.386 32.105 32.500 -0.016 0.000 0.716 473 K HN 0.297 nan 8.250 nan 0.000 0.446 474 L N 1.035 122.202 121.223 -0.092 0.000 2.046 474 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 474 L C 2.117 178.872 176.870 -0.190 0.000 1.077 474 L CA 1.492 56.257 54.840 -0.126 0.000 0.747 474 L CB -0.385 41.593 42.059 -0.135 0.000 0.896 474 L HN 0.225 nan 8.230 nan 0.000 0.432 475 K N -0.902 119.326 120.400 -0.286 0.000 2.361 475 K HA 0.015 4.335 4.320 -0.001 0.000 0.196 475 K C 0.026 176.162 176.600 -0.773 0.000 1.039 475 K CA 0.663 56.625 56.287 -0.542 0.000 1.001 475 K CB 0.128 32.202 32.500 -0.711 0.000 0.795 475 K HN 0.114 nan 8.250 nan 0.000 0.495 476 F N 1.838 121.680 119.950 -0.180 0.000 2.564 476 F HA 0.287 4.813 4.527 -0.001 0.000 0.329 476 F C -2.057 173.681 175.800 -0.104 0.000 1.458 476 F CA -2.358 55.558 58.000 -0.140 0.000 1.117 476 F CB 1.561 40.461 39.000 -0.166 0.000 1.383 476 F HN -0.123 nan 8.300 nan 0.000 0.571 477 P HA -0.071 nan 4.420 nan 0.000 0.237 477 P C 1.290 178.596 177.300 0.010 0.000 1.178 477 P CA 1.128 64.229 63.100 0.002 0.000 0.766 477 P CB -0.013 31.668 31.700 -0.032 0.000 0.876 478 T N -3.964 110.600 114.554 0.017 0.000 3.040 478 T HA 0.194 4.543 4.350 -0.001 0.000 0.250 478 T C 0.748 175.418 174.700 -0.049 0.000 1.058 478 T CA -0.158 61.936 62.100 -0.010 0.000 0.988 478 T CB -0.508 68.351 68.868 -0.014 0.000 0.993 478 T HN -0.052 nan 8.240 nan 0.000 0.519 479 L N 3.028 124.235 121.223 -0.027 0.000 2.313 479 L HA 0.333 4.673 4.340 -0.001 0.000 0.282 479 L C -1.349 175.495 176.870 -0.043 0.000 1.092 479 L CA -2.203 52.573 54.840 -0.106 0.000 0.831 479 L CB 1.176 43.175 42.059 -0.099 0.000 1.159 479 L HN -0.029 nan 8.230 nan 0.000 0.442 480 P HA -0.079 nan 4.420 nan 0.000 0.233 480 P C 0.816 178.199 177.300 0.137 0.000 1.167 480 P CA 0.672 63.811 63.100 0.064 0.000 0.770 480 P CB 0.438 32.193 31.700 0.091 0.000 0.837 481 E N 0.164 120.440 120.200 0.126 0.000 2.097 481 E HA -0.147 4.203 4.350 -0.001 0.000 0.196 481 E C 2.077 178.843 176.600 0.275 0.000 1.000 481 E CA 1.302 57.830 56.400 0.213 0.000 0.804 481 E CB -1.289 28.346 29.700 -0.107 0.000 0.740 481 E HN 0.073 nan 8.360 nan 0.000 0.454 482 V N 1.302 121.300 119.914 0.140 0.000 2.237 482 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 482 V C -0.823 175.405 176.094 0.223 0.000 1.046 482 V CA 2.202 64.636 62.300 0.222 0.000 1.007 482 V CB -1.710 30.204 31.823 0.152 0.000 0.638 482 V HN 0.294 nan 8.190 nan 0.000 0.445 483 P HA -0.084 nan 4.420 nan 0.000 0.221 483 P C 1.643 178.969 177.300 0.043 0.000 1.150 483 P CA 1.440 64.593 63.100 0.089 0.000 0.800 483 P CB -0.201 31.541 31.700 0.069 0.000 0.787 484 T N -0.290 114.351 114.554 0.144 0.000 2.708 484 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 484 T C 1.519 176.248 174.700 0.049 0.000 1.037 484 T CA 1.340 63.523 62.100 0.137 0.000 1.146 484 T CB -0.909 68.095 68.868 0.227 0.000 0.865 484 T HN -0.018 nan 8.240 nan 0.000 0.435 485 F N 0.313 120.310 119.950 0.078 0.000 2.234 485 F HA 0.103 4.630 4.527 -0.001 0.000 0.299 485 F C 1.937 177.648 175.800 -0.148 0.000 1.087 485 F CA 0.403 58.462 58.000 0.097 0.000 1.340 485 F CB -0.544 38.650 39.000 0.323 0.000 1.031 485 F HN 0.089 nan 8.300 nan 0.000 0.500 486 F N 0.741 120.421 119.950 -0.451 0.000 2.186 486 F HA -0.056 4.470 4.527 -0.001 0.000 0.299 486 F C 2.315 177.812 175.800 -0.506 0.000 1.090 486 F CA 0.926 58.392 58.000 -0.890 0.000 1.307 486 F CB -0.844 37.532 39.000 -1.040 0.000 1.019 486 F HN -0.088 nan 8.300 nan 0.000 0.489 487 A N 0.017 122.508 122.820 -0.549 0.000 1.978 487 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 487 A C 2.120 179.353 177.584 -0.585 0.000 1.170 487 A CA 1.867 53.429 52.037 -0.791 0.000 0.636 487 A CB -0.807 17.313 19.000 -1.466 0.000 0.810 487 A HN 0.555 nan 8.150 nan 0.000 0.448 488 E N -0.381 119.606 120.200 -0.355 0.000 2.106 488 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 488 E C 1.829 178.310 176.600 -0.198 0.000 0.984 488 E CA 1.154 57.467 56.400 -0.145 0.000 0.806 488 E CB -0.259 29.403 29.700 -0.064 0.000 0.750 488 E HN 0.716 nan 8.360 nan 0.000 0.458 489 I N 0.949 121.319 120.570 -0.333 0.000 2.202 489 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 489 I C 2.279 178.057 176.117 -0.565 0.000 1.091 489 I CA 0.916 61.893 61.300 -0.538 0.000 1.368 489 I CB -0.188 37.458 38.000 -0.591 0.000 1.058 489 I HN 0.101 nan 8.210 nan 0.000 0.410 490 L N 0.021 120.869 121.223 -0.625 0.000 2.042 490 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 490 L C 2.611 179.252 176.870 -0.381 0.000 1.076 490 L CA 1.601 56.121 54.840 -0.534 0.000 0.749 490 L CB -1.069 40.634 42.059 -0.593 0.000 0.893 490 L HN 0.258 nan 8.230 nan 0.000 0.432 491 T N -1.234 113.174 114.554 -0.243 0.000 2.708 491 T HA -0.234 4.116 4.350 -0.001 0.000 0.266 491 T C 1.524 176.190 174.700 -0.057 0.000 1.037 491 T CA 1.744 63.825 62.100 -0.033 0.000 1.146 491 T CB -0.304 68.646 68.868 0.137 0.000 0.865 491 T HN 0.346 nan 8.240 nan 0.000 0.435 492 D N 0.561 120.924 120.400 -0.062 0.000 2.158 492 D HA -0.084 4.555 4.640 -0.001 0.000 0.197 492 D C 2.265 178.542 176.300 -0.039 0.000 0.995 492 D CA 0.957 54.963 54.000 0.010 0.000 0.846 492 D CB 0.006 40.867 40.800 0.102 0.000 0.941 492 D HN 0.196 nan 8.370 nan 0.000 0.456 493 R N -1.270 119.124 120.500 -0.176 0.000 2.276 493 R HA 0.111 4.451 4.340 -0.001 0.000 0.203 493 R C 1.387 177.473 176.300 -0.358 0.000 1.017 493 R CA 0.670 56.623 56.100 -0.244 0.000 1.010 493 R CB 0.159 30.209 30.300 -0.417 0.000 0.900 493 R HN 0.293 nan 8.270 nan 0.000 0.469 494 G N 1.415 109.890 108.800 -0.542 0.000 2.148 494 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.254 494 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.254 494 G C -0.259 173.965 174.900 -1.126 0.000 0.981 494 G CA 0.329 44.795 45.100 -1.058 0.000 0.670 494 G HN 0.378 nan 8.290 nan 0.000 0.528 495 D N 0.115 120.078 120.400 -0.728 0.000 2.563 495 D HA 0.477 5.116 4.640 -0.001 0.000 0.222 495 D C 1.378 177.471 176.300 -0.346 0.000 1.145 495 D CA -0.931 52.797 54.000 -0.455 0.000 1.001 495 D CB -0.521 40.095 40.800 -0.307 0.000 1.049 495 D HN 0.105 nan 8.370 nan 0.000 0.515 496 F N 0.608 120.518 119.950 -0.066 0.000 2.186 496 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 496 F C 2.024 177.804 175.800 -0.032 0.000 1.090 496 F CA 0.576 58.550 58.000 -0.043 0.000 1.307 496 F CB -0.291 38.698 39.000 -0.019 0.000 1.019 496 F HN 0.224 nan 8.300 nan 0.000 0.489 497 D N -0.365 120.110 120.400 0.126 0.000 2.097 497 D HA -0.122 4.518 4.640 -0.001 0.000 0.195 497 D C 2.273 178.591 176.300 0.029 0.000 0.989 497 D CA 1.919 55.963 54.000 0.073 0.000 0.827 497 D CB -0.880 39.950 40.800 0.051 0.000 0.966 497 D HN 0.195 nan 8.370 nan 0.000 0.456 498 T N 0.804 115.348 114.554 -0.017 0.000 2.821 498 T HA -0.073 4.276 4.350 -0.001 0.000 0.267 498 T C 2.049 176.692 174.700 -0.095 0.000 1.046 498 T CA 1.339 63.412 62.100 -0.044 0.000 1.139 498 T CB -0.279 68.550 68.868 -0.065 0.000 0.871 498 T HN 0.188 nan 8.240 nan 0.000 0.454 499 A N 1.374 124.118 122.820 -0.125 0.000 1.883 499 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 499 A C 2.294 179.822 177.584 -0.094 0.000 1.186 499 A CA 1.320 53.233 52.037 -0.206 0.000 0.624 499 A CB -0.853 18.081 19.000 -0.110 0.000 0.822 499 A HN 0.508 nan 8.150 nan 0.000 0.444 500 I N -0.565 120.052 120.570 0.078 0.000 2.226 500 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 500 I C 2.489 178.667 176.117 0.102 0.000 1.100 500 I CA 1.629 63.023 61.300 0.157 0.000 1.374 500 I CB -0.239 37.834 38.000 0.122 0.000 1.057 500 I HN 0.306 nan 8.210 nan 0.000 0.413 501 K N 0.151 120.578 120.400 0.046 0.000 2.057 501 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 501 K C 2.227 178.846 176.600 0.033 0.000 1.049 501 K CA 1.171 57.481 56.287 0.039 0.000 0.931 501 K CB -0.147 32.370 32.500 0.028 0.000 0.714 501 K HN 0.278 nan 8.250 nan 0.000 0.440 502 Q N -0.122 119.666 119.800 -0.021 0.000 2.084 502 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 502 Q C 2.101 178.095 176.000 -0.010 0.000 0.978 502 Q CA 1.639 57.413 55.803 -0.049 0.000 0.844 502 Q CB -0.366 28.271 28.738 -0.169 0.000 0.898 502 Q HN 0.419 nan 8.270 nan 0.000 0.426 503 Y N 1.549 121.855 120.300 0.010 0.000 2.224 503 Y HA -0.161 4.388 4.550 -0.001 0.000 0.289 503 Y C 2.015 177.924 175.900 0.014 0.000 1.146 503 Y CA 0.907 59.012 58.100 0.008 0.000 1.182 503 Y CB -0.339 38.117 38.460 -0.006 0.000 0.983 503 Y HN 0.144 nan 8.280 nan 0.000 0.524 504 D N -0.080 120.421 120.400 0.168 0.000 2.117 504 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 504 D C 2.297 178.646 176.300 0.081 0.000 0.987 504 D CA 1.372 55.431 54.000 0.099 0.000 0.829 504 D CB -0.417 40.425 40.800 0.070 0.000 0.961 504 D HN 0.309 nan 8.370 nan 0.000 0.460 505 I N 1.078 121.693 120.570 0.075 0.000 2.252 505 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 505 I C 2.470 178.631 176.117 0.072 0.000 1.102 505 I CA 1.005 62.341 61.300 0.061 0.000 1.385 505 I CB -0.160 37.870 38.000 0.050 0.000 1.064 505 I HN -0.081 nan 8.210 nan 0.000 0.414 506 A N 0.638 123.518 122.820 0.100 0.000 1.902 506 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 506 A C 2.387 180.034 177.584 0.104 0.000 1.181 506 A CA 2.004 54.110 52.037 0.116 0.000 0.623 506 A CB -0.572 18.535 19.000 0.179 0.000 0.818 506 A HN 0.365 nan 8.150 nan 0.000 0.443 507 K N -0.789 119.673 120.400 0.103 0.000 2.032 507 K HA -0.198 4.122 4.320 -0.001 0.000 0.209 507 K C 2.262 178.898 176.600 0.060 0.000 1.048 507 K CA 1.335 57.667 56.287 0.075 0.000 0.927 507 K CB -0.168 32.368 32.500 0.059 0.000 0.712 507 K HN 0.278 nan 8.250 nan 0.000 0.441 508 R N 0.758 121.290 120.500 0.053 0.000 2.073 508 R HA -0.109 4.231 4.340 -0.001 0.000 0.234 508 R C 2.450 178.773 176.300 0.040 0.000 1.134 508 R CA 1.204 57.329 56.100 0.042 0.000 0.952 508 R CB -0.878 29.444 30.300 0.036 0.000 0.850 508 R HN 0.325 nan 8.270 nan 0.000 0.433 509 L N 0.577 121.824 121.223 0.040 0.000 2.042 509 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 509 L C 2.557 179.443 176.870 0.026 0.000 1.076 509 L CA 1.513 56.367 54.840 0.023 0.000 0.749 509 L CB -0.456 41.612 42.059 0.015 0.000 0.893 509 L HN 0.161 nan 8.230 nan 0.000 0.432 510 E N 0.769 121.004 120.200 0.057 0.000 2.077 510 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 510 E C 1.971 178.623 176.600 0.088 0.000 0.989 510 E CA 1.415 57.869 56.400 0.090 0.000 0.800 510 E CB -0.018 29.751 29.700 0.115 0.000 0.746 510 E HN 0.397 nan 8.360 nan 0.000 0.452 511 E N -0.583 119.657 120.200 0.066 0.000 2.209 511 E HA -0.155 4.195 4.350 -0.001 0.000 0.196 511 E C 1.941 178.574 176.600 0.055 0.000 0.993 511 E CA 1.167 57.601 56.400 0.057 0.000 0.819 511 E CB 0.091 29.817 29.700 0.044 0.000 0.745 511 E HN 0.168 nan 8.360 nan 0.000 0.477 512 V N 0.947 120.890 119.914 0.049 0.000 2.878 512 V HA -0.087 4.033 4.120 -0.001 0.000 0.250 512 V C 0.835 176.962 176.094 0.055 0.000 1.075 512 V CA 0.702 63.028 62.300 0.042 0.000 1.096 512 V CB 0.055 31.895 31.823 0.028 0.000 0.724 512 V HN 0.186 nan 8.190 nan 0.000 0.467 513 Q N 0.394 120.237 119.800 0.073 0.000 2.373 513 Q HA 0.111 4.450 4.340 -0.001 0.000 0.255 513 Q C 1.268 177.349 176.000 0.136 0.000 0.980 513 Q CA 0.166 56.039 55.803 0.118 0.000 0.882 513 Q CB 0.824 29.665 28.738 0.171 0.000 1.249 513 Q HN 0.513 nan 8.270 nan 0.000 0.438 514 E N 1.384 121.665 120.200 0.136 0.000 2.107 514 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 514 E C -0.119 176.548 176.600 0.112 0.000 0.982 514 E CA 0.938 57.401 56.400 0.105 0.000 0.809 514 E CB 0.229 29.982 29.700 0.089 0.000 0.756 514 E HN 0.390 nan 8.360 nan 0.000 0.459 515 K N 0.951 121.443 120.400 0.154 0.000 2.109 515 K HA 0.388 4.708 4.320 -0.001 0.000 0.243 515 K C 0.177 176.862 176.600 0.142 0.000 1.006 515 K CA -0.568 55.779 56.287 0.099 0.000 0.917 515 K CB 1.325 33.844 32.500 0.031 0.000 1.081 515 K HN -0.103 nan 8.250 nan 0.000 0.468 516 I N 2.348 122.974 120.570 0.093 0.000 2.441 516 I HA -0.004 4.166 4.170 -0.001 0.000 0.287 516 I C 1.315 177.453 176.117 0.035 0.000 1.049 516 I CA 0.053 61.439 61.300 0.143 0.000 1.381 516 I CB 0.402 38.520 38.000 0.196 0.000 1.409 516 I HN 0.614 nan 8.210 nan 0.000 0.523 517 H N 4.704 123.889 119.070 0.192 0.000 2.311 517 H HA 0.088 4.643 4.556 -0.001 0.000 0.289 517 H C 1.583 177.056 175.328 0.242 0.000 1.022 517 H CA 1.139 57.318 56.048 0.218 0.000 1.416 517 H CB 0.590 30.451 29.762 0.165 0.000 1.480 517 H HN 0.525 nan 8.280 nan 0.000 0.609 518 V N -1.370 118.743 119.914 0.332 0.000 3.578 518 V HA 0.440 4.560 4.120 -0.001 0.000 0.290 518 V C 1.321 177.521 176.094 0.176 0.000 1.376 518 V CA 0.631 63.084 62.300 0.255 0.000 1.083 518 V CB 0.067 32.031 31.823 0.236 0.000 0.911 518 V HN 0.649 nan 8.190 nan 0.000 0.433 519 G N 3.014 111.917 108.800 0.172 0.000 2.651 519 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.315 519 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.315 519 G C 0.788 175.735 174.900 0.078 0.000 1.258 519 G CA 1.384 46.557 45.100 0.122 0.000 1.002 519 G HN 1.380 nan 8.290 nan 0.000 0.551 520 I N 0.100 120.697 120.570 0.044 0.000 3.684 520 I HA 0.425 4.595 4.170 -0.001 0.000 0.304 520 I C 2.249 178.346 176.117 -0.034 0.000 1.278 520 I CA 1.145 62.447 61.300 0.002 0.000 1.272 520 I CB -0.621 37.370 38.000 -0.015 0.000 1.029 520 I HN 0.639 nan 8.210 nan 0.000 0.458 521 G N 2.982 111.776 108.800 -0.010 0.000 2.599 521 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.219 521 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.219 521 G C -0.420 174.386 174.900 -0.156 0.000 1.193 521 G CA 1.349 46.420 45.100 -0.049 0.000 0.778 521 G HN 0.401 nan 8.290 nan 0.000 0.589 522 P HA -0.035 nan 4.420 nan 0.000 0.218 522 P C 2.041 179.147 177.300 -0.323 0.000 1.148 522 P CA 0.715 63.691 63.100 -0.207 0.000 0.822 522 P CB -0.111 31.624 31.700 0.059 0.000 0.784 523 L N -1.503 119.610 121.223 -0.184 0.000 2.072 523 L HA -0.122 4.217 4.340 -0.001 0.000 0.205 523 L C 2.222 178.962 176.870 -0.217 0.000 1.079 523 L CA 1.067 55.808 54.840 -0.165 0.000 0.752 523 L CB -0.749 41.252 42.059 -0.097 0.000 0.906 523 L HN -0.056 nan 8.230 nan 0.000 0.436 524 I N 0.208 120.644 120.570 -0.223 0.000 2.202 524 I HA -0.145 4.024 4.170 -0.001 0.000 0.242 524 I C 2.698 178.629 176.117 -0.310 0.000 1.091 524 I CA 1.602 62.773 61.300 -0.216 0.000 1.368 524 I CB -2.013 35.892 38.000 -0.159 0.000 1.058 524 I HN 0.198 nan 8.210 nan 0.000 0.410 525 G N 1.110 109.584 108.800 -0.544 0.000 2.514 525 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.217 525 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.217 525 G C 1.814 176.343 174.900 -0.619 0.000 1.198 525 G CA 1.223 45.800 45.100 -0.872 0.000 0.780 525 G HN 0.391 nan 8.290 nan 0.000 0.565 526 K N 0.570 120.603 120.400 -0.611 0.000 2.057 526 K HA 0.124 4.443 4.320 -0.001 0.000 0.206 526 K C 2.785 179.293 176.600 -0.153 0.000 1.050 526 K CA 1.270 57.430 56.287 -0.211 0.000 0.935 526 K CB -0.352 32.084 32.500 -0.108 0.000 0.715 526 K HN 0.204 nan 8.250 nan 0.000 0.439 527 A N 0.682 123.393 122.820 -0.183 0.000 1.933 527 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 527 A C 2.142 179.635 177.584 -0.153 0.000 1.175 527 A CA 2.177 54.118 52.037 -0.160 0.000 0.628 527 A CB -1.040 17.859 19.000 -0.169 0.000 0.814 527 A HN 0.474 nan 8.150 nan 0.000 0.444 528 T N 0.425 114.888 114.554 -0.151 0.000 2.708 528 T HA -0.118 4.232 4.350 -0.001 0.000 0.266 528 T C 1.802 176.424 174.700 -0.129 0.000 1.037 528 T CA 1.552 63.577 62.100 -0.125 0.000 1.146 528 T CB -0.441 68.366 68.868 -0.102 0.000 0.865 528 T HN 0.438 nan 8.240 nan 0.000 0.435 529 I N 0.773 121.271 120.570 -0.121 0.000 2.127 529 I HA -0.163 4.007 4.170 -0.001 0.000 0.241 529 I C 2.341 178.355 176.117 -0.172 0.000 1.075 529 I CA 1.355 62.552 61.300 -0.172 0.000 1.334 529 I CB -0.435 37.528 38.000 -0.063 0.000 1.040 529 I HN 0.185 nan 8.210 nan 0.000 0.405 530 L N 0.308 121.464 121.223 -0.112 0.000 2.083 530 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 530 L C 2.838 179.661 176.870 -0.080 0.000 1.083 530 L CA 1.223 56.010 54.840 -0.087 0.000 0.752 530 L CB -0.748 41.267 42.059 -0.074 0.000 0.899 530 L HN 0.264 nan 8.230 nan 0.000 0.433 531 A N 0.238 122.997 122.820 -0.102 0.000 1.877 531 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 531 A C 2.438 180.004 177.584 -0.030 0.000 1.186 531 A CA 1.818 53.817 52.037 -0.064 0.000 0.620 531 A CB -0.584 18.350 19.000 -0.110 0.000 0.822 531 A HN 0.342 nan 8.150 nan 0.000 0.443 532 R N -0.518 119.927 120.500 -0.092 0.000 2.096 532 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 532 R C 2.269 178.497 176.300 -0.120 0.000 1.127 532 R CA 1.793 57.825 56.100 -0.112 0.000 0.968 532 R CB -0.273 29.920 30.300 -0.180 0.000 0.861 532 R HN 0.687 nan 8.270 nan 0.000 0.440 533 Q N -0.298 119.415 119.800 -0.145 0.000 2.172 533 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 533 Q C 2.156 178.136 176.000 -0.034 0.000 0.964 533 Q CA 1.646 57.384 55.803 -0.108 0.000 0.855 533 Q CB 0.162 28.835 28.738 -0.109 0.000 0.918 533 Q HN 0.458 nan 8.270 nan 0.000 0.444 534 S N 0.307 116.009 115.700 0.003 0.000 2.382 534 S HA -0.107 4.362 4.470 -0.001 0.000 0.228 534 S C 1.723 176.341 174.600 0.031 0.000 1.027 534 S CA 1.191 59.423 58.200 0.053 0.000 0.991 534 S CB -0.158 63.139 63.200 0.162 0.000 0.823 534 S HN 0.278 nan 8.310 nan 0.000 0.469 535 S N 0.160 115.874 115.700 0.024 0.000 2.526 535 S HA 0.526 4.996 4.470 -0.001 0.000 0.245 535 S C -0.242 174.351 174.600 -0.012 0.000 1.103 535 S CA -0.757 57.442 58.200 -0.002 0.000 1.095 535 S CB -0.036 63.166 63.200 0.003 0.000 0.826 535 S HN 0.645 nan 8.310 nan 0.000 0.468 542 D N 3.703 124.098 120.400 -0.009 0.000 2.383 542 D HA 0.130 4.769 4.640 -0.001 0.000 0.245 542 D C 0.739 177.065 176.300 0.044 0.000 1.263 542 D CA 0.219 54.228 54.000 0.015 0.000 0.936 542 D CB 0.996 41.810 40.800 0.023 0.000 1.053 542 D HN 0.705 nan 8.370 nan 0.000 0.507 543 E N 2.035 122.251 120.200 0.028 0.000 2.208 543 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 543 E C 1.044 177.704 176.600 0.101 0.000 0.988 543 E CA 0.631 57.065 56.400 0.056 0.000 0.828 543 E CB 0.425 30.133 29.700 0.013 0.000 0.763 543 E HN 0.410 nan 8.360 nan 0.000 0.478 544 E N 1.105 121.342 120.200 0.062 0.000 2.047 544 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 544 E C 1.713 178.344 176.600 0.051 0.000 0.987 544 E CA 1.044 57.474 56.400 0.050 0.000 0.799 544 E CB 0.053 29.770 29.700 0.029 0.000 0.752 544 E HN 0.081 nan 8.360 nan 0.000 0.449 545 K N -0.514 119.920 120.400 0.055 0.000 2.097 545 K HA -0.110 4.210 4.320 -0.001 0.000 0.206 545 K C 2.040 178.671 176.600 0.051 0.000 1.049 545 K CA 1.071 57.381 56.287 0.037 0.000 0.933 545 K CB -0.253 32.264 32.500 0.030 0.000 0.717 545 K HN 0.093 nan 8.250 nan 0.000 0.442 546 F N 2.443 122.369 119.950 -0.038 0.000 2.102 546 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 546 F C 1.558 177.334 175.800 -0.041 0.000 1.105 546 F CA 1.637 59.611 58.000 -0.043 0.000 1.239 546 F CB -0.225 38.752 39.000 -0.039 0.000 0.991 546 F HN 0.068 nan 8.300 nan 0.000 0.474 547 N N 0.140 118.916 118.700 0.127 0.000 2.120 547 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 547 N C 2.006 177.470 175.510 -0.077 0.000 1.024 547 N CA 0.913 53.970 53.050 0.012 0.000 0.852 547 N CB -0.377 38.147 38.487 0.062 0.000 1.003 547 N HN 0.379 nan 8.380 nan 0.000 0.424 548 A N 1.352 124.138 122.820 -0.056 0.000 1.908 548 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 548 A C 2.365 179.875 177.584 -0.125 0.000 1.181 548 A CA 1.744 53.739 52.037 -0.070 0.000 0.627 548 A CB -0.868 18.107 19.000 -0.042 0.000 0.818 548 A HN 0.355 nan 8.150 nan 0.000 0.445 549 A N 0.088 122.798 122.820 -0.185 0.000 1.877 549 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 549 A C 2.063 179.482 177.584 -0.276 0.000 1.186 549 A CA 1.576 53.470 52.037 -0.239 0.000 0.620 549 A CB -0.539 18.278 19.000 -0.305 0.000 0.822 549 A HN 0.431 nan 8.150 nan 0.000 0.443 550 I N -0.087 120.265 120.570 -0.362 0.000 2.163 550 I HA -0.260 3.910 4.170 -0.001 0.000 0.243 550 I C 2.477 178.487 176.117 -0.177 0.000 1.085 550 I CA 2.049 63.170 61.300 -0.299 0.000 1.347 550 I CB -0.995 36.833 38.000 -0.286 0.000 1.044 550 I HN 0.457 nan 8.210 nan 0.000 0.408 551 K N 1.040 121.357 120.400 -0.138 0.000 2.057 551 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 551 K C 2.292 178.837 176.600 -0.091 0.000 1.049 551 K CA 1.137 57.368 56.287 -0.093 0.000 0.931 551 K CB -0.030 32.430 32.500 -0.067 0.000 0.714 551 K HN 0.224 nan 8.250 nan 0.000 0.440 552 L N 0.830 121.991 121.223 -0.105 0.000 2.017 552 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 552 L C 2.423 179.230 176.870 -0.106 0.000 1.073 552 L CA 1.191 55.971 54.840 -0.099 0.000 0.745 552 L CB -0.360 41.631 42.059 -0.112 0.000 0.894 552 L HN 0.229 nan 8.230 nan 0.000 0.432 553 L N -1.079 120.066 121.223 -0.130 0.000 2.141 553 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 553 L C 2.594 179.401 176.870 -0.106 0.000 1.094 553 L CA 1.212 55.976 54.840 -0.126 0.000 0.763 553 L CB -0.747 41.219 42.059 -0.155 0.000 0.908 553 L HN 0.288 nan 8.230 nan 0.000 0.437 554 T N -0.530 113.962 114.554 -0.103 0.000 2.708 554 T HA -0.263 4.087 4.350 -0.001 0.000 0.266 554 T C 1.903 176.567 174.700 -0.061 0.000 1.037 554 T CA 1.611 63.663 62.100 -0.081 0.000 1.146 554 T CB -0.117 68.706 68.868 -0.075 0.000 0.865 554 T HN 0.238 nan 8.240 nan 0.000 0.435 555 K N 1.102 121.468 120.400 -0.057 0.000 2.032 555 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 555 K C 2.521 179.098 176.600 -0.039 0.000 1.048 555 K CA 1.281 57.543 56.287 -0.041 0.000 0.927 555 K CB -0.396 32.082 32.500 -0.038 0.000 0.712 555 K HN 0.266 nan 8.250 nan 0.000 0.441 556 A N 0.848 123.637 122.820 -0.052 0.000 1.883 556 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 556 A C 2.457 180.017 177.584 -0.039 0.000 1.186 556 A CA 1.880 53.889 52.037 -0.048 0.000 0.624 556 A CB -1.195 17.764 19.000 -0.068 0.000 0.822 556 A HN 0.603 nan 8.150 nan 0.000 0.444 557 C N -0.803 118.468 119.300 -0.049 0.000 2.413 557 C HA -0.112 4.347 4.460 -0.001 0.000 0.277 557 C C 2.676 177.649 174.990 -0.028 0.000 1.265 557 C CA 1.312 60.304 59.018 -0.043 0.000 1.752 557 C CB -1.370 26.337 27.740 -0.056 0.000 1.998 557 C HN 0.699 nan 8.230 nan 0.000 0.489 558 E N 0.406 120.591 120.200 -0.026 0.000 2.072 558 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 558 E C 2.041 178.639 176.600 -0.004 0.000 0.982 558 E CA 0.899 57.290 56.400 -0.015 0.000 0.803 558 E CB -0.130 29.561 29.700 -0.015 0.000 0.755 558 E HN 0.616 nan 8.360 nan 0.000 0.453 559 L N 0.331 121.553 121.223 -0.003 0.000 2.156 559 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 559 L C 0.833 177.714 176.870 0.019 0.000 1.095 559 L CA 0.596 55.443 54.840 0.011 0.000 0.770 559 L CB 0.253 42.320 42.059 0.013 0.000 0.914 559 L HN 0.021 nan 8.230 nan 0.000 0.439 560 D N -1.492 118.913 120.400 0.009 0.000 2.552 560 D HA 0.183 4.823 4.640 -0.001 0.000 0.285 560 D C -1.908 174.393 176.300 0.002 0.000 1.206 560 D CA -1.623 52.385 54.000 0.014 0.000 0.826 560 D CB 0.942 41.752 40.800 0.016 0.000 1.179 560 D HN -0.157 nan 8.370 nan 0.000 0.508 561 P HA -0.076 nan 4.420 nan 0.000 0.220 561 P C 0.882 178.179 177.300 -0.004 0.000 1.144 561 P CA 0.865 63.964 63.100 -0.003 0.000 0.800 561 P CB 0.254 31.956 31.700 0.003 0.000 0.772 562 R N -1.163 119.336 120.500 -0.002 0.000 2.334 562 R HA 0.175 4.515 4.340 -0.001 0.000 0.220 562 R C 0.638 176.927 176.300 -0.018 0.000 0.917 562 R CA -0.003 56.091 56.100 -0.009 0.000 1.073 562 R CB -0.025 30.269 30.300 -0.010 0.000 1.056 562 R HN 0.048 nan 8.270 nan 0.000 0.506 563 S N 2.051 117.741 115.700 -0.017 0.000 2.422 563 S HA 0.007 4.477 4.470 -0.001 0.000 0.283 563 S C 1.432 176.020 174.600 -0.019 0.000 1.163 563 S CA -0.635 57.552 58.200 -0.021 0.000 1.054 563 S CB 0.722 63.908 63.200 -0.022 0.000 0.967 563 S HN 0.324 nan 8.310 nan 0.000 0.499 564 E N 4.754 124.946 120.200 -0.014 0.000 2.150 564 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 564 E C 1.496 178.096 176.600 0.000 0.000 0.985 564 E CA 0.856 57.257 56.400 0.001 0.000 0.814 564 E CB -0.428 29.281 29.700 0.014 0.000 0.752 564 E HN 0.851 nan 8.360 nan 0.000 0.466 565 Q N 0.633 120.426 119.800 -0.011 0.000 2.061 565 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 565 Q C 2.257 178.233 176.000 -0.040 0.000 0.984 565 Q CA 2.018 57.810 55.803 -0.019 0.000 0.846 565 Q CB -0.178 28.545 28.738 -0.026 0.000 0.902 565 Q HN 0.435 nan 8.270 nan 0.000 0.421 566 A N 1.036 123.828 122.820 -0.048 0.000 1.902 566 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 566 A C 1.919 179.455 177.584 -0.080 0.000 1.181 566 A CA 1.659 53.656 52.037 -0.067 0.000 0.623 566 A CB -0.312 18.653 19.000 -0.059 0.000 0.818 566 A HN 0.267 nan 8.150 nan 0.000 0.443 567 K N -0.566 119.795 120.400 -0.065 0.000 2.103 567 K HA 0.055 4.375 4.320 -0.001 0.000 0.204 567 K C 1.798 178.324 176.600 -0.124 0.000 1.052 567 K CA 1.259 57.493 56.287 -0.088 0.000 0.945 567 K CB -0.285 32.181 32.500 -0.057 0.000 0.722 567 K HN 0.520 nan 8.250 nan 0.000 0.443 568 I N 0.861 121.395 120.570 -0.060 0.000 2.252 568 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 568 I C 2.540 178.586 176.117 -0.118 0.000 1.102 568 I CA 1.229 62.506 61.300 -0.038 0.000 1.385 568 I CB -0.768 37.282 38.000 0.084 0.000 1.064 568 I HN 0.260 nan 8.210 nan 0.000 0.414 569 G N 1.415 110.155 108.800 -0.100 0.000 2.491 569 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.218 569 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.218 569 G C 1.641 176.440 174.900 -0.167 0.000 1.180 569 G CA 0.960 45.987 45.100 -0.122 0.000 0.774 569 G HN 0.256 nan 8.290 nan 0.000 0.562 570 L N 1.428 122.543 121.223 -0.179 0.000 2.046 570 L HA 0.148 4.487 4.340 -0.001 0.000 0.208 570 L C 3.115 179.830 176.870 -0.259 0.000 1.077 570 L CA 2.141 56.859 54.840 -0.202 0.000 0.747 570 L CB -0.858 41.096 42.059 -0.174 0.000 0.896 570 L HN 0.264 nan 8.230 nan 0.000 0.432 571 A N -1.159 121.435 122.820 -0.378 0.000 1.908 571 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 571 A C 2.131 179.406 177.584 -0.517 0.000 1.181 571 A CA 1.733 53.361 52.037 -0.682 0.000 0.627 571 A CB -0.555 17.605 19.000 -1.401 0.000 0.818 571 A HN 0.616 nan 8.150 nan 0.000 0.445 572 Q N -0.321 119.299 119.800 -0.300 0.000 2.170 572 Q HA -0.069 4.271 4.340 -0.001 0.000 0.203 572 Q C 2.144 178.119 176.000 -0.041 0.000 0.976 572 Q CA 1.166 56.906 55.803 -0.105 0.000 0.858 572 Q CB -0.407 28.274 28.738 -0.095 0.000 0.907 572 Q HN 0.751 nan 8.270 nan 0.000 0.433 573 L N 0.378 121.556 121.223 -0.075 0.000 2.131 573 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 573 L C 2.338 179.269 176.870 0.102 0.000 1.087 573 L CA 0.769 55.618 54.840 0.016 0.000 0.767 573 L CB -0.413 41.498 42.059 -0.247 0.000 0.917 573 L HN 0.082 nan 8.230 nan 0.000 0.441 574 K N 0.298 120.678 120.400 -0.033 0.000 2.103 574 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 574 K C 2.091 178.702 176.600 0.018 0.000 1.048 574 K CA 1.201 57.477 56.287 -0.018 0.000 0.930 574 K CB -0.470 31.968 32.500 -0.103 0.000 0.716 574 K HN 0.145 nan 8.250 nan 0.000 0.444 575 L N 1.892 123.119 121.223 0.007 0.000 2.093 575 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 575 L C 2.425 179.333 176.870 0.063 0.000 1.085 575 L CA 1.576 56.452 54.840 0.060 0.000 0.755 575 L CB -0.329 41.801 42.059 0.118 0.000 0.904 575 L HN 0.187 nan 8.230 nan 0.000 0.435 576 Q N -1.198 118.651 119.800 0.081 0.000 2.124 576 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 576 Q C 1.941 177.942 176.000 0.002 0.000 0.977 576 Q CA 1.754 57.590 55.803 0.055 0.000 0.850 576 Q CB -0.140 28.671 28.738 0.121 0.000 0.901 576 Q HN 0.538 nan 8.270 nan 0.000 0.429 577 M N 0.282 119.922 119.600 0.067 0.000 2.682 577 M HA -0.024 4.456 4.480 -0.001 0.000 0.235 577 M C -0.536 175.773 176.300 0.015 0.000 1.114 577 M CA 0.691 56.007 55.300 0.027 0.000 1.053 577 M CB 0.042 32.714 32.600 0.119 0.000 1.599 577 M HN 0.124 nan 8.290 nan 0.000 0.520 578 E N 0.133 120.344 120.200 0.019 0.000 2.539 578 E HA -0.177 4.173 4.350 -0.001 0.000 0.253 578 E C -0.548 176.067 176.600 0.024 0.000 1.145 578 E CA 0.337 56.750 56.400 0.021 0.000 0.738 578 E CB -1.383 28.322 29.700 0.009 0.000 1.308 578 E HN 0.467 nan 8.360 nan 0.000 0.409 579 K N 1.088 121.504 120.400 0.026 0.000 2.307 579 K HA 0.119 4.439 4.320 -0.001 0.000 0.240 579 K C 1.297 177.907 176.600 0.016 0.000 1.214 579 K CA -0.158 56.139 56.287 0.016 0.000 1.149 579 K CB 0.283 32.788 32.500 0.007 0.000 1.668 579 K HN 0.202 nan 8.250 nan 0.000 0.314 580 I N 0.390 120.980 120.570 0.034 0.000 2.179 580 I HA -0.267 3.903 4.170 -0.001 0.000 0.242 580 I C 1.438 177.586 176.117 0.052 0.000 1.088 580 I CA 1.275 62.609 61.300 0.057 0.000 1.357 580 I CB -0.569 37.469 38.000 0.064 0.000 1.051 580 I HN 0.326 nan 8.210 nan 0.000 0.409 581 D N 1.161 121.582 120.400 0.036 0.000 2.104 581 D HA -0.177 4.463 4.640 -0.001 0.000 0.194 581 D C 2.168 178.476 176.300 0.012 0.000 0.994 581 D CA 1.236 55.255 54.000 0.031 0.000 0.830 581 D CB -0.168 40.646 40.800 0.022 0.000 0.959 581 D HN 0.450 nan 8.370 nan 0.000 0.452 582 E N 0.650 120.845 120.200 -0.009 0.000 2.058 582 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 582 E C 2.135 178.683 176.600 -0.087 0.000 0.997 582 E CA 1.070 57.446 56.400 -0.041 0.000 0.801 582 E CB -0.089 29.584 29.700 -0.045 0.000 0.746 582 E HN 0.189 nan 8.360 nan 0.000 0.450 583 A N 1.363 124.124 122.820 -0.099 0.000 1.883 583 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 583 A C 2.208 179.700 177.584 -0.154 0.000 1.186 583 A CA 1.373 53.268 52.037 -0.237 0.000 0.624 583 A CB -0.748 18.183 19.000 -0.114 0.000 0.822 583 A HN 0.159 nan 8.150 nan 0.000 0.444 584 I N -0.657 119.969 120.570 0.093 0.000 2.163 584 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 584 I C 2.623 178.815 176.117 0.125 0.000 1.085 584 I CA 1.992 63.416 61.300 0.206 0.000 1.347 584 I CB -0.394 37.697 38.000 0.151 0.000 1.044 584 I HN 0.570 nan 8.210 nan 0.000 0.408 585 E N 1.275 121.499 120.200 0.040 0.000 2.085 585 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 585 E C 2.352 178.953 176.600 0.002 0.000 0.994 585 E CA 1.252 57.666 56.400 0.023 0.000 0.801 585 E CB -0.040 29.659 29.700 -0.001 0.000 0.743 585 E HN 0.445 nan 8.360 nan 0.000 0.453 586 L N -0.141 121.035 121.223 -0.079 0.000 2.056 586 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 586 L C 2.384 179.218 176.870 -0.060 0.000 1.078 586 L CA 0.855 55.615 54.840 -0.133 0.000 0.749 586 L CB -0.388 41.506 42.059 -0.275 0.000 0.901 586 L HN 0.166 nan 8.230 nan 0.000 0.433 587 F N 0.500 120.465 119.950 0.024 0.000 2.134 587 F HA -0.197 4.330 4.527 -0.001 0.000 0.299 587 F C 2.578 178.413 175.800 0.059 0.000 1.097 587 F CA 1.241 59.278 58.000 0.062 0.000 1.264 587 F CB -0.632 38.428 39.000 0.101 0.000 1.001 587 F HN 0.118 nan 8.300 nan 0.000 0.479 588 E N -0.191 120.153 120.200 0.239 0.000 2.072 588 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 588 E C 1.769 178.425 176.600 0.093 0.000 0.985 588 E CA 1.305 57.790 56.400 0.141 0.000 0.801 588 E CB -0.244 29.519 29.700 0.105 0.000 0.750 588 E HN 0.317 nan 8.360 nan 0.000 0.452 589 D N 0.444 120.886 120.400 0.070 0.000 2.123 589 D HA -0.096 4.544 4.640 -0.001 0.000 0.196 589 D C 1.964 178.293 176.300 0.048 0.000 0.992 589 D CA 0.945 54.970 54.000 0.042 0.000 0.833 589 D CB -0.232 40.578 40.800 0.016 0.000 0.954 589 D HN -0.045 nan 8.370 nan 0.000 0.455 590 S N -0.002 115.743 115.700 0.074 0.000 2.447 590 S HA -0.037 4.432 4.470 -0.001 0.000 0.233 590 S C 1.957 176.609 174.600 0.086 0.000 1.006 590 S CA 0.787 59.037 58.200 0.083 0.000 0.957 590 S CB 0.031 63.310 63.200 0.131 0.000 0.773 590 S HN 0.359 nan 8.310 nan 0.000 0.507 591 A N 1.401 124.278 122.820 0.094 0.000 1.898 591 A HA 0.127 4.447 4.320 -0.001 0.000 0.214 591 A C 1.973 179.579 177.584 0.036 0.000 1.183 591 A CA 0.654 52.730 52.037 0.064 0.000 0.622 591 A CB -0.543 18.496 19.000 0.065 0.000 0.824 591 A HN 0.445 nan 8.150 nan 0.000 0.444 592 I N -0.204 120.388 120.570 0.036 0.000 2.208 592 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 592 I C 2.203 178.327 176.117 0.011 0.000 1.097 592 I CA 1.250 62.562 61.300 0.021 0.000 1.363 592 I CB -0.183 37.829 38.000 0.021 0.000 1.051 592 I HN 0.277 nan 8.210 nan 0.000 0.413 593 L N -0.119 121.112 121.223 0.013 0.000 2.270 593 L HA 0.091 4.431 4.340 -0.001 0.000 0.210 593 L C 1.662 178.526 176.870 -0.010 0.000 1.104 593 L CA -0.151 54.689 54.840 0.000 0.000 0.804 593 L CB -0.462 41.598 42.059 0.002 0.000 0.937 593 L HN 0.163 nan 8.230 nan 0.000 0.450 598 D N 1.218 121.599 120.400 -0.032 0.000 2.144 598 D HA -0.119 4.520 4.640 -0.001 0.000 0.199 598 D C 1.566 177.841 176.300 -0.043 0.000 0.984 598 D CA 1.420 55.395 54.000 -0.041 0.000 0.834 598 D CB 0.080 40.860 40.800 -0.034 0.000 0.955 598 D HN 0.475 nan 8.370 nan 0.000 0.465 599 E N 0.828 121.012 120.200 -0.026 0.000 2.051 599 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 599 E C 2.031 178.626 176.600 -0.009 0.000 0.991 599 E CA 0.742 57.135 56.400 -0.010 0.000 0.799 599 E CB -0.153 29.545 29.700 -0.003 0.000 0.748 599 E HN 0.382 nan 8.360 nan 0.000 0.449 600 K N 0.406 120.796 120.400 -0.016 0.000 2.103 600 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 600 K C 2.213 178.793 176.600 -0.033 0.000 1.048 600 K CA 0.822 57.102 56.287 -0.011 0.000 0.930 600 K CB -0.215 32.277 32.500 -0.013 0.000 0.716 600 K HN 0.010 nan 8.250 nan 0.000 0.444 601 L N 1.724 122.912 121.223 -0.058 0.000 2.072 601 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 601 L C 2.125 178.900 176.870 -0.158 0.000 1.079 601 L CA 1.589 56.373 54.840 -0.093 0.000 0.752 601 L CB -0.325 41.681 42.059 -0.090 0.000 0.906 601 L HN 0.123 nan 8.230 nan 0.000 0.436 602 Q N -0.718 118.982 119.800 -0.166 0.000 2.084 602 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 602 Q C 2.257 178.030 176.000 -0.379 0.000 0.978 602 Q CA 1.811 57.426 55.803 -0.312 0.000 0.844 602 Q CB -0.369 28.255 28.738 -0.190 0.000 0.898 602 Q HN 0.670 nan 8.270 nan 0.000 0.426 603 A N 0.232 123.009 122.820 -0.072 0.000 1.898 603 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 603 A C 2.224 179.806 177.584 -0.003 0.000 1.181 603 A CA 1.762 53.865 52.037 0.110 0.000 0.620 603 A CB -0.806 18.298 19.000 0.174 0.000 0.819 603 A HN 0.314 nan 8.150 nan 0.000 0.442 604 T N -0.031 114.490 114.554 -0.055 0.000 2.746 604 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 604 T C 1.999 176.624 174.700 -0.125 0.000 1.039 604 T CA 1.938 64.007 62.100 -0.052 0.000 1.142 604 T CB -0.546 68.296 68.868 -0.043 0.000 0.866 604 T HN 0.568 nan 8.240 nan 0.000 0.444 605 T N 1.850 116.258 114.554 -0.242 0.000 2.746 605 T HA -0.054 4.296 4.350 -0.001 0.000 0.267 605 T C 1.580 176.073 174.700 -0.344 0.000 1.039 605 T CA 1.073 62.985 62.100 -0.313 0.000 1.142 605 T CB -0.500 68.112 68.868 -0.427 0.000 0.866 605 T HN 0.262 nan 8.240 nan 0.000 0.444 606 F N 1.787 121.498 119.950 -0.397 0.000 2.134 606 F HA 0.071 4.597 4.527 -0.001 0.000 0.299 606 F C 2.685 178.083 175.800 -0.670 0.000 1.097 606 F CA 0.390 57.930 58.000 -0.766 0.000 1.264 606 F CB -1.248 36.770 39.000 -1.636 0.000 1.001 606 F HN 0.139 nan 8.300 nan 0.000 0.479 607 A N -0.195 122.492 122.820 -0.221 0.000 1.902 607 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 607 A C 2.194 179.802 177.584 0.041 0.000 1.181 607 A CA 1.637 53.705 52.037 0.053 0.000 0.623 607 A CB -0.519 18.562 19.000 0.136 0.000 0.818 607 A HN 0.253 nan 8.150 nan 0.000 0.443 608 E N -0.067 120.127 120.200 -0.010 0.000 2.152 608 E HA -0.038 4.312 4.350 -0.001 0.000 0.192 608 E C 2.290 178.900 176.600 0.017 0.000 0.983 608 E CA 1.098 57.504 56.400 0.011 0.000 0.818 608 E CB -0.616 29.081 29.700 -0.005 0.000 0.758 608 E HN 0.570 nan 8.360 nan 0.000 0.467 609 A N 1.493 124.307 122.820 -0.011 0.000 1.902 609 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 609 A C 2.400 180.013 177.584 0.049 0.000 1.181 609 A CA 1.937 53.980 52.037 0.010 0.000 0.623 609 A CB -0.497 18.501 19.000 -0.003 0.000 0.818 609 A HN 0.257 nan 8.150 nan 0.000 0.443 610 A N -0.140 122.721 122.820 0.069 0.000 1.930 610 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 610 A C 2.054 179.700 177.584 0.104 0.000 1.175 610 A CA 1.606 53.712 52.037 0.116 0.000 0.627 610 A CB -0.376 18.749 19.000 0.209 0.000 0.815 610 A HN 0.544 nan 8.150 nan 0.000 0.443 611 K N -0.406 120.050 120.400 0.093 0.000 2.209 611 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 611 K C 1.569 178.223 176.600 0.091 0.000 1.048 611 K CA 1.005 57.344 56.287 0.086 0.000 0.940 611 K CB -0.195 32.351 32.500 0.077 0.000 0.729 611 K HN 0.372 nan 8.250 nan 0.000 0.451 612 I N 1.413 122.037 120.570 0.091 0.000 2.286 612 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 612 I C 2.271 178.449 176.117 0.102 0.000 1.104 612 I CA 1.269 62.636 61.300 0.112 0.000 1.397 612 I CB -0.858 37.198 38.000 0.094 0.000 1.072 612 I HN 0.193 nan 8.210 nan 0.000 0.417 613 Q N 0.814 120.659 119.800 0.074 0.000 2.050 613 Q HA -0.232 4.108 4.340 -0.001 0.000 0.202 613 Q C 2.174 178.216 176.000 0.070 0.000 0.980 613 Q CA 1.416 57.255 55.803 0.059 0.000 0.840 613 Q CB -0.503 28.269 28.738 0.056 0.000 0.898 613 Q HN 0.487 nan 8.270 nan 0.000 0.424 614 K N 0.819 121.266 120.400 0.079 0.000 2.020 614 K HA -0.206 4.114 4.320 -0.001 0.000 0.212 614 K C 2.195 178.851 176.600 0.093 0.000 1.050 614 K CA 1.553 57.886 56.287 0.077 0.000 0.929 614 K CB -0.103 32.442 32.500 0.074 0.000 0.714 614 K HN 0.013 nan 8.250 nan 0.000 0.443 615 R N 0.573 121.147 120.500 0.123 0.000 2.091 615 R HA -0.122 4.217 4.340 -0.001 0.000 0.238 615 R C 2.397 178.859 176.300 0.270 0.000 1.136 615 R CA 1.500 57.704 56.100 0.173 0.000 0.959 615 R CB -0.246 30.176 30.300 0.204 0.000 0.856 615 R HN 0.246 nan 8.270 nan 0.000 0.437 616 L N 0.046 121.404 121.223 0.226 0.000 2.046 616 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 616 L C 2.665 179.592 176.870 0.095 0.000 1.077 616 L CA 1.470 56.389 54.840 0.131 0.000 0.747 616 L CB -0.311 41.729 42.059 -0.032 0.000 0.896 616 L HN 0.197 nan 8.230 nan 0.000 0.432 617 R N -0.243 120.301 120.500 0.074 0.000 2.148 617 R HA -0.027 4.312 4.340 -0.001 0.000 0.223 617 R C 2.236 178.572 176.300 0.060 0.000 1.088 617 R CA 0.972 57.103 56.100 0.052 0.000 0.985 617 R CB -0.352 29.972 30.300 0.040 0.000 0.880 617 R HN 0.303 nan 8.270 nan 0.000 0.451 618 A N 1.044 123.911 122.820 0.078 0.000 2.172 618 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 618 A C 0.625 178.253 177.584 0.073 0.000 1.154 618 A CA 0.936 53.013 52.037 0.067 0.000 0.701 618 A CB -0.155 18.882 19.000 0.062 0.000 0.789 618 A HN 0.223 nan 8.150 nan 0.000 0.465 619 D N 0.000 120.464 120.400 0.107 0.000 6.856 619 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 619 D CA 0.000 54.070 54.000 0.116 0.000 0.868 619 D CB 0.000 40.925 40.800 0.208 0.000 0.688 619 D HN 0.000 nan 8.370 nan 0.000 0.683