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 3fp3_1_A DATA FIRST_RESID 109 DATA SEQUENCE EPDIAQLKGL SPSQRQAYAV QLKNRGNHFF TXXXXXXAIK YYQYAIELDP DATA SEQUENCE NEPVFYSNIS ACYISTGDLE KVIEFTTKAL EIKPDHSKAL LRRASANESL DATA SEQUENCE GNFTDAMFDL SVLSLNGDFD GASIEPMLER NLNKQAMKVL NENLSKXXXX DATA SEQUENCE XXQVLPSNTS LASFFGIFDS HLEVSSVNTS SNYDTAYALL SDALQRLYSA DATA SEQUENCE TDEGYLVAND LLTKSTDMYH SLLSANTVDD PLRENAALAL CYTGIFHFLK DATA SEQUENCE NNLLDAQVLL QESINLHPTP NSYIFLALTL ADKENSQEFF KFFQKAVDLN DATA SEQUENCE PEYPPTYYHR GQMYFILQDY KNAKEDFQKA QSLNPENVYP YIQLACLLYK DATA SEQUENCE QGKFTESEAF FNETKLKFPT LPEVPTFFAE ILTDRGDFDT AIKQYDIAKR DATA SEQUENCE LEEVQEKIHV GIGPLIGKAT ILARQSXXXX XXXXXEKFNA AIKLLTKACE DATA SEQUENCE LDPRSEQAKI GLAQLKLQME KIDEAIELFE DSAILARTMD EKLQATTFAE DATA SEQUENCE AAKIQKRLRA DPIISAKME 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 109 E HA 0.000 nan 4.350 nan 0.000 0.291 109 E C 0.000 176.568 176.600 -0.053 0.000 1.382 109 E CA 0.000 56.412 56.400 0.020 0.000 0.976 109 E CB 0.000 29.756 29.700 0.094 0.000 0.812 110 P HA 0.090 nan 4.420 nan 0.000 0.269 110 P C -0.872 176.254 177.300 -0.290 0.000 1.209 110 P CA 0.290 63.279 63.100 -0.185 0.000 0.776 110 P CB 0.457 32.033 31.700 -0.206 0.000 0.876 111 D N 2.447 122.713 120.400 -0.224 0.000 2.453 111 D HA 0.041 4.682 4.640 0.002 0.000 0.223 111 D C 1.232 177.376 176.300 -0.259 0.000 1.183 111 D CA -0.420 53.456 54.000 -0.207 0.000 0.933 111 D CB 0.263 40.983 40.800 -0.134 0.000 1.038 111 D HN 0.034 nan 8.370 nan 0.000 0.513 112 I N 2.965 123.346 120.570 -0.316 0.000 2.226 112 I HA -0.211 3.960 4.170 0.002 0.000 0.245 112 I C 2.354 178.371 176.117 -0.167 0.000 1.100 112 I CA 0.719 61.846 61.300 -0.289 0.000 1.374 112 I CB -1.500 36.312 38.000 -0.314 0.000 1.057 112 I HN 0.399 nan 8.210 nan 0.000 0.413 113 A N 0.404 123.151 122.820 -0.121 0.000 1.883 113 A HA -0.299 4.022 4.320 0.002 0.000 0.217 113 A C 2.388 179.921 177.584 -0.084 0.000 1.186 113 A CA 2.135 54.126 52.037 -0.077 0.000 0.624 113 A CB -0.828 18.139 19.000 -0.055 0.000 0.822 113 A HN 0.549 nan 8.150 nan 0.000 0.444 114 Q N -0.272 119.465 119.800 -0.106 0.000 2.030 114 Q HA -0.160 4.181 4.340 0.002 0.000 0.204 114 Q C 2.004 177.921 176.000 -0.138 0.000 0.986 114 Q CA 1.847 57.586 55.803 -0.107 0.000 0.843 114 Q CB -0.333 28.338 28.738 -0.111 0.000 0.904 114 Q HN 0.656 nan 8.270 nan 0.000 0.420 115 L N 0.515 121.607 121.223 -0.217 0.000 2.043 115 L HA -0.243 4.098 4.340 0.002 0.000 0.212 115 L C 2.625 179.405 176.870 -0.150 0.000 1.075 115 L CA 1.524 56.190 54.840 -0.291 0.000 0.752 115 L CB -0.522 41.268 42.059 -0.448 0.000 0.891 115 L HN 0.251 nan 8.230 nan 0.000 0.432 116 K N 0.014 120.352 120.400 -0.104 0.000 2.113 116 K HA -0.165 4.156 4.320 0.002 0.000 0.208 116 K C 1.928 178.514 176.600 -0.023 0.000 1.047 116 K CA 1.362 57.624 56.287 -0.043 0.000 0.928 116 K CB -0.401 32.081 32.500 -0.029 0.000 0.716 116 K HN 0.446 nan 8.250 nan 0.000 0.446 117 G N 0.825 109.605 108.800 -0.034 0.000 2.848 117 G HA2 -0.008 3.953 3.960 0.002 0.000 0.208 117 G HA3 -0.008 3.953 3.960 0.002 0.000 0.208 117 G C 0.646 175.542 174.900 -0.006 0.000 1.152 117 G CA 0.019 45.109 45.100 -0.017 0.000 0.789 117 G HN 0.025 nan 8.290 nan 0.000 0.531 118 L N 0.940 122.159 121.223 -0.006 0.000 2.479 118 L HA 0.315 4.656 4.340 0.002 0.000 0.249 118 L C 1.241 178.136 176.870 0.041 0.000 1.178 118 L CA -0.742 54.112 54.840 0.024 0.000 0.811 118 L CB 0.630 42.715 42.059 0.043 0.000 1.187 118 L HN 0.135 nan 8.230 nan 0.000 0.480 119 S N -0.525 115.208 115.700 0.054 0.000 2.573 119 S HA 0.108 4.579 4.470 0.002 0.000 0.277 119 S C -1.896 172.742 174.600 0.062 0.000 1.346 119 S CA -1.003 57.228 58.200 0.051 0.000 1.034 119 S CB 0.656 63.886 63.200 0.049 0.000 0.879 119 S HN 0.388 nan 8.310 nan 0.000 0.528 120 P HA -0.205 nan 4.420 nan 0.000 0.217 120 P C 1.829 179.172 177.300 0.071 0.000 1.158 120 P CA 2.122 65.259 63.100 0.061 0.000 0.887 120 P CB -0.341 31.388 31.700 0.048 0.000 0.792 121 S N -0.465 115.271 115.700 0.060 0.000 2.353 121 S HA -0.256 4.215 4.470 0.002 0.000 0.222 121 S C 2.036 176.680 174.600 0.072 0.000 1.035 121 S CA 1.112 59.346 58.200 0.056 0.000 1.025 121 S CB -1.473 61.750 63.200 0.038 0.000 0.902 121 S HN 0.224 nan 8.310 nan 0.000 0.440 122 Q N 1.193 121.048 119.800 0.091 0.000 2.045 122 Q HA -0.159 4.182 4.340 0.002 0.000 0.206 122 Q C 2.609 178.760 176.000 0.251 0.000 0.991 122 Q CA 1.641 57.537 55.803 0.155 0.000 0.851 122 Q CB -0.291 28.573 28.738 0.210 0.000 0.911 122 Q HN 0.593 nan 8.270 nan 0.000 0.418 123 R N 0.470 121.087 120.500 0.194 0.000 2.083 123 R HA -0.200 4.141 4.340 0.002 0.000 0.237 123 R C 2.404 178.814 176.300 0.185 0.000 1.137 123 R CA 1.664 57.873 56.100 0.182 0.000 0.951 123 R CB -0.343 30.026 30.300 0.114 0.000 0.851 123 R HN 0.366 nan 8.270 nan 0.000 0.434 124 Q N 0.417 120.305 119.800 0.147 0.000 2.061 124 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 124 Q C 2.008 178.093 176.000 0.143 0.000 0.984 124 Q CA 1.957 57.847 55.803 0.146 0.000 0.846 124 Q CB -0.095 28.703 28.738 0.101 0.000 0.902 124 Q HN 0.391 nan 8.270 nan 0.000 0.421 125 A N -0.406 122.473 122.820 0.097 0.000 1.873 125 A HA -0.161 4.160 4.320 0.002 0.000 0.215 125 A C 1.802 179.400 177.584 0.024 0.000 1.186 125 A CA 1.239 53.295 52.037 0.031 0.000 0.616 125 A CB -1.087 17.885 19.000 -0.046 0.000 0.823 125 A HN 0.588 nan 8.150 nan 0.000 0.442 126 Y N 0.090 120.416 120.300 0.042 0.000 2.165 126 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 126 Y C 2.915 178.836 175.900 0.035 0.000 1.155 126 Y CA 1.257 59.376 58.100 0.031 0.000 1.164 126 Y CB -0.244 38.227 38.460 0.018 0.000 0.978 126 Y HN 0.363 nan 8.280 nan 0.000 0.513 127 A N -0.662 122.285 122.820 0.211 0.000 1.902 127 A HA -0.168 4.153 4.320 0.002 0.000 0.217 127 A C 2.357 179.962 177.584 0.034 0.000 1.181 127 A CA 1.854 53.953 52.037 0.104 0.000 0.623 127 A CB -1.187 17.937 19.000 0.207 0.000 0.818 127 A HN 0.258 nan 8.150 nan 0.000 0.443 128 V N 0.121 120.139 119.914 0.172 0.000 2.332 128 V HA -0.271 3.850 4.120 0.002 0.000 0.248 128 V C 2.758 178.898 176.094 0.077 0.000 1.055 128 V CA 2.095 64.497 62.300 0.170 0.000 1.038 128 V CB -0.684 31.229 31.823 0.150 0.000 0.651 128 V HN 0.559 nan 8.190 nan 0.000 0.450 129 Q N -0.517 119.319 119.800 0.058 0.000 2.079 129 Q HA -0.079 4.262 4.340 0.002 0.000 0.200 129 Q C 2.291 178.325 176.000 0.056 0.000 0.974 129 Q CA 1.445 57.270 55.803 0.036 0.000 0.840 129 Q CB -0.447 28.303 28.738 0.020 0.000 0.898 129 Q HN 0.542 nan 8.270 nan 0.000 0.430 130 L N 1.066 122.351 121.223 0.103 0.000 2.017 130 L HA -0.193 4.148 4.340 0.002 0.000 0.208 130 L C 2.670 179.589 176.870 0.081 0.000 1.073 130 L CA 1.395 56.342 54.840 0.177 0.000 0.745 130 L CB -0.544 41.628 42.059 0.188 0.000 0.894 130 L HN 0.209 nan 8.230 nan 0.000 0.432 131 K N 0.325 120.694 120.400 -0.051 0.000 2.057 131 K HA -0.215 4.106 4.320 0.002 0.000 0.207 131 K C 1.842 178.492 176.600 0.083 0.000 1.049 131 K CA 1.757 58.053 56.287 0.014 0.000 0.931 131 K CB -0.129 32.326 32.500 -0.075 0.000 0.714 131 K HN 0.280 nan 8.250 nan 0.000 0.440 132 N N 1.157 119.876 118.700 0.033 0.000 2.104 132 N HA -0.148 4.593 4.740 0.002 0.000 0.190 132 N C 1.826 177.287 175.510 -0.081 0.000 1.024 132 N CA 1.133 54.179 53.050 -0.007 0.000 0.853 132 N CB -0.287 38.188 38.487 -0.020 0.000 1.008 132 N HN 0.255 nan 8.380 nan 0.000 0.424 133 R N 0.079 120.491 120.500 -0.148 0.000 2.091 133 R HA -0.043 4.298 4.340 0.002 0.000 0.238 133 R C 2.226 178.313 176.300 -0.355 0.000 1.136 133 R CA 1.292 57.182 56.100 -0.349 0.000 0.959 133 R CB -1.087 28.889 30.300 -0.541 0.000 0.856 133 R HN 0.304 nan 8.270 nan 0.000 0.437 134 G N 1.847 110.504 108.800 -0.239 0.000 2.446 134 G HA2 -0.288 3.673 3.960 0.002 0.000 0.217 134 G HA3 -0.288 3.673 3.960 0.002 0.000 0.217 134 G C 1.247 176.003 174.900 -0.240 0.000 1.168 134 G CA 0.687 45.525 45.100 -0.437 0.000 0.771 134 G HN 0.272 nan 8.290 nan 0.000 0.551 135 N N 0.209 118.869 118.700 -0.066 0.000 2.149 135 N HA -0.121 4.620 4.740 0.002 0.000 0.188 135 N C 1.825 177.344 175.510 0.015 0.000 1.019 135 N CA 1.496 54.507 53.050 -0.066 0.000 0.857 135 N CB -0.566 37.902 38.487 -0.032 0.000 0.997 135 N HN 0.620 nan 8.380 nan 0.000 0.426 136 H N 0.112 119.101 119.070 -0.135 0.000 2.270 136 H HA -0.017 4.541 4.556 0.004 0.000 0.299 136 H C 1.329 176.616 175.328 -0.068 0.000 1.077 136 H CA 1.447 57.396 56.048 -0.165 0.000 1.294 136 H CB -0.718 28.827 29.762 -0.362 0.000 1.371 136 H HN 0.042 nan 8.280 nan 0.000 0.491 137 F N -0.172 119.588 119.950 -0.318 0.000 2.481 137 F HA -0.117 4.411 4.527 0.001 0.000 0.297 137 F C 1.858 177.617 175.800 -0.068 0.000 1.095 137 F CA 0.425 58.241 58.000 -0.307 0.000 1.465 137 F CB -0.934 37.930 39.000 -0.227 0.000 1.098 137 F HN 0.216 nan 8.300 nan 0.000 0.585 138 F N 0.890 120.826 119.950 -0.023 0.000 2.202 138 F HA -0.179 4.353 4.527 0.008 0.000 0.301 138 F C 2.091 177.882 175.800 -0.015 0.000 1.082 138 F CA 0.983 58.989 58.000 0.011 0.000 1.313 138 F CB -1.233 37.793 39.000 0.045 0.000 1.024 138 F HN -0.019 nan 8.300 nan 0.000 0.495 147 I N 1.079 121.505 120.570 -0.239 0.000 2.208 147 I HA -0.273 3.898 4.170 0.002 0.000 0.245 147 I C 2.427 178.377 176.117 -0.278 0.000 1.097 147 I CA 2.146 63.317 61.300 -0.215 0.000 1.363 147 I CB -0.142 37.682 38.000 -0.293 0.000 1.051 147 I HN 0.534 nan 8.210 nan 0.000 0.413 148 K N 0.491 120.670 120.400 -0.367 0.000 2.032 148 K HA -0.229 4.092 4.320 0.002 0.000 0.209 148 K C 2.175 178.168 176.600 -1.011 0.000 1.048 148 K CA 1.837 57.737 56.287 -0.644 0.000 0.927 148 K CB -0.272 31.870 32.500 -0.596 0.000 0.712 148 K HN 0.185 nan 8.250 nan 0.000 0.441 149 Y N -0.857 119.091 120.300 -0.586 0.000 2.263 149 Y HA -0.178 4.372 4.550 0.000 0.000 0.292 149 Y C 1.909 177.654 175.900 -0.257 0.000 1.130 149 Y CA 1.249 59.139 58.100 -0.351 0.000 1.179 149 Y CB -0.101 38.276 38.460 -0.140 0.000 0.998 149 Y HN 0.117 nan 8.280 nan 0.000 0.532 150 Y N -0.182 120.057 120.300 -0.102 0.000 2.242 150 Y HA -0.230 4.320 4.550 -0.000 0.000 0.291 150 Y C 2.392 178.179 175.900 -0.188 0.000 1.137 150 Y CA 0.916 58.906 58.100 -0.183 0.000 1.181 150 Y CB -1.036 37.323 38.460 -0.169 0.000 0.989 150 Y HN 0.177 nan 8.280 nan 0.000 0.527 151 Q N -1.247 118.517 119.800 -0.059 0.000 2.084 151 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 151 Q C 1.921 177.939 176.000 0.029 0.000 0.978 151 Q CA 1.590 57.375 55.803 -0.029 0.000 0.844 151 Q CB -0.351 28.331 28.738 -0.093 0.000 0.898 151 Q HN 0.461 nan 8.270 nan 0.000 0.426 152 Y N 0.049 120.286 120.300 -0.105 0.000 2.165 152 Y HA -0.236 4.317 4.550 0.004 0.000 0.286 152 Y C 2.354 178.194 175.900 -0.100 0.000 1.155 152 Y CA 0.861 58.885 58.100 -0.127 0.000 1.164 152 Y CB -1.131 37.195 38.460 -0.222 0.000 0.978 152 Y HN 0.154 nan 8.280 nan 0.000 0.513 153 A N 0.196 123.017 122.820 0.001 0.000 1.877 153 A HA -0.170 4.151 4.320 0.002 0.000 0.216 153 A C 2.362 179.878 177.584 -0.112 0.000 1.186 153 A CA 1.870 53.749 52.037 -0.264 0.000 0.620 153 A CB -1.136 17.351 19.000 -0.855 0.000 0.822 153 A HN 0.437 nan 8.150 nan 0.000 0.443 154 I N -0.705 119.865 120.570 -0.000 0.000 2.286 154 I HA -0.226 3.945 4.170 0.002 0.000 0.248 154 I C 2.488 178.710 176.117 0.175 0.000 1.115 154 I CA 1.658 63.054 61.300 0.159 0.000 1.392 154 I CB -0.249 37.852 38.000 0.169 0.000 1.065 154 I HN 0.408 nan 8.210 nan 0.000 0.418 155 E N 1.403 121.687 120.200 0.140 0.000 2.110 155 E HA -0.188 4.163 4.350 0.002 0.000 0.193 155 E C 2.107 178.770 176.600 0.105 0.000 0.988 155 E CA 1.481 57.956 56.400 0.124 0.000 0.804 155 E CB -0.139 29.628 29.700 0.112 0.000 0.745 155 E HN 0.437 nan 8.360 nan 0.000 0.458 156 L N -0.581 120.702 121.223 0.100 0.000 2.162 156 L HA 0.069 4.410 4.340 0.002 0.000 0.205 156 L C 0.519 177.475 176.870 0.143 0.000 1.086 156 L CA 0.708 55.607 54.840 0.098 0.000 0.778 156 L CB 0.099 42.208 42.059 0.082 0.000 0.928 156 L HN 0.102 nan 8.230 nan 0.000 0.446 157 D N -0.158 120.367 120.400 0.208 0.000 2.346 157 D HA 0.168 4.809 4.640 0.002 0.000 0.255 157 D C -2.126 174.325 176.300 0.252 0.000 1.276 157 D CA -1.812 52.330 54.000 0.236 0.000 0.941 157 D CB 1.573 42.555 40.800 0.302 0.000 1.199 157 D HN -0.116 nan 8.370 nan 0.000 0.537 158 P HA 0.145 nan 4.420 nan 0.000 0.255 158 P C 0.037 177.487 177.300 0.251 0.000 1.301 158 P CA 0.035 63.290 63.100 0.257 0.000 0.817 158 P CB 0.368 32.214 31.700 0.242 0.000 1.259 159 N N 0.156 118.928 118.700 0.120 0.000 2.204 159 N HA 0.048 4.789 4.740 0.002 0.000 0.219 159 N C -0.071 175.421 175.510 -0.031 0.000 1.151 159 N CA 0.170 53.267 53.050 0.078 0.000 0.867 159 N CB 0.588 39.107 38.487 0.053 0.000 1.043 159 N HN 0.153 nan 8.380 nan 0.000 0.516 160 E N 1.928 121.999 120.200 -0.214 0.000 2.102 160 E HA 0.295 4.646 4.350 0.002 0.000 0.263 160 E C -1.819 174.514 176.600 -0.445 0.000 0.894 160 E CA -2.334 53.757 56.400 -0.516 0.000 0.746 160 E CB 1.484 30.428 29.700 -1.259 0.000 1.129 160 E HN -0.064 nan 8.360 nan 0.000 0.416 161 P HA -0.165 nan 4.420 nan 0.000 0.219 161 P C 1.261 178.524 177.300 -0.062 0.000 1.146 161 P CA 0.574 63.699 63.100 0.042 0.000 0.808 161 P CB 0.298 32.027 31.700 0.049 0.000 0.779 162 V N -0.651 119.159 119.914 -0.173 0.000 2.392 162 V HA -0.245 3.876 4.120 0.002 0.000 0.249 162 V C 2.378 178.440 176.094 -0.052 0.000 1.059 162 V CA 1.802 64.046 62.300 -0.093 0.000 1.051 162 V CB -1.387 30.386 31.823 -0.084 0.000 0.658 162 V HN -0.058 nan 8.190 nan 0.000 0.455 163 F N -0.745 119.053 119.950 -0.252 0.000 2.146 163 F HA -0.074 4.454 4.527 0.001 0.000 0.298 163 F C 2.324 177.889 175.800 -0.391 0.000 1.096 163 F CA 0.746 58.518 58.000 -0.380 0.000 1.275 163 F CB -1.612 37.145 39.000 -0.405 0.000 1.008 163 F HN 0.212 nan 8.300 nan 0.000 0.480 164 Y N -0.292 120.087 120.300 0.132 0.000 2.200 164 Y HA -0.165 4.386 4.550 0.001 0.000 0.290 164 Y C 2.869 178.788 175.900 0.032 0.000 1.137 164 Y CA 1.279 59.468 58.100 0.148 0.000 1.163 164 Y CB -1.399 37.168 38.460 0.177 0.000 0.988 164 Y HN 0.045 nan 8.280 nan 0.000 0.518 165 S N 0.141 115.890 115.700 0.081 0.000 2.368 165 S HA -0.185 4.286 4.470 0.002 0.000 0.224 165 S C 1.922 176.496 174.600 -0.043 0.000 1.029 165 S CA 1.550 59.753 58.200 0.004 0.000 0.988 165 S CB -0.368 62.804 63.200 -0.046 0.000 0.838 165 S HN 0.457 nan 8.310 nan 0.000 0.462 166 N N 1.482 120.055 118.700 -0.212 0.000 2.104 166 N HA -0.023 4.718 4.740 0.002 0.000 0.190 166 N C 1.678 176.916 175.510 -0.453 0.000 1.024 166 N CA 1.379 54.141 53.050 -0.481 0.000 0.853 166 N CB -0.526 37.334 38.487 -1.045 0.000 1.008 166 N HN 0.527 nan 8.380 nan 0.000 0.424 167 I N 0.543 120.868 120.570 -0.408 0.000 2.546 167 I HA -0.191 3.980 4.170 0.002 0.000 0.255 167 I C 1.946 178.035 176.117 -0.047 0.000 1.163 167 I CA 0.697 61.871 61.300 -0.210 0.000 1.457 167 I CB -0.092 37.709 38.000 -0.332 0.000 1.092 167 I HN 0.151 nan 8.210 nan 0.000 0.434 168 S N 1.135 116.892 115.700 0.096 0.000 2.383 168 S HA -0.119 4.352 4.470 0.002 0.000 0.227 168 S C 2.218 176.932 174.600 0.190 0.000 1.026 168 S CA 0.835 59.185 58.200 0.250 0.000 0.981 168 S CB -0.575 62.777 63.200 0.253 0.000 0.818 168 S HN 0.467 nan 8.310 nan 0.000 0.472 169 A N 0.968 123.871 122.820 0.139 0.000 1.933 169 A HA -0.054 4.267 4.320 0.002 0.000 0.218 169 A C 2.505 180.189 177.584 0.166 0.000 1.175 169 A CA 1.484 53.630 52.037 0.181 0.000 0.628 169 A CB -1.601 17.559 19.000 0.267 0.000 0.814 169 A HN 0.733 nan 8.150 nan 0.000 0.444 170 C N -2.050 117.323 119.300 0.123 0.000 2.413 170 C HA -0.147 4.314 4.460 0.002 0.000 0.276 170 C C 2.456 177.382 174.990 -0.107 0.000 1.236 170 C CA 1.004 60.013 59.018 -0.016 0.000 1.735 170 C CB -1.757 25.888 27.740 -0.158 0.000 2.031 170 C HN 0.712 nan 8.230 nan 0.000 0.474 171 Y N 0.726 121.068 120.300 0.071 0.000 2.439 171 Y HA 0.017 4.566 4.550 -0.001 0.000 0.292 171 Y C 2.239 178.175 175.900 0.060 0.000 1.130 171 Y CA 0.808 58.945 58.100 0.062 0.000 1.254 171 Y CB -0.657 37.852 38.460 0.082 0.000 1.000 171 Y HN 0.331 nan 8.280 nan 0.000 0.554 172 I N -1.112 119.572 120.570 0.190 0.000 2.202 172 I HA -0.318 3.853 4.170 0.002 0.000 0.242 172 I C 2.304 178.469 176.117 0.080 0.000 1.091 172 I CA 1.422 62.797 61.300 0.126 0.000 1.368 172 I CB -0.457 37.610 38.000 0.111 0.000 1.058 172 I HN 0.035 nan 8.210 nan 0.000 0.410 173 S N 0.147 115.877 115.700 0.049 0.000 2.370 173 S HA -0.203 4.268 4.470 0.002 0.000 0.226 173 S C 1.997 176.605 174.600 0.014 0.000 1.033 173 S CA 2.114 60.317 58.200 0.004 0.000 1.011 173 S CB -0.573 62.601 63.200 -0.043 0.000 0.852 173 S HN 0.659 nan 8.310 nan 0.000 0.457 174 T N -1.846 112.731 114.554 0.038 0.000 3.100 174 T HA 0.383 4.734 4.350 0.002 0.000 0.253 174 T C 1.462 176.211 174.700 0.083 0.000 1.118 174 T CA 0.808 62.940 62.100 0.052 0.000 1.058 174 T CB 0.011 68.915 68.868 0.059 0.000 0.953 174 T HN 0.590 nan 8.240 nan 0.000 0.515 175 G N 1.576 110.434 108.800 0.096 0.000 2.143 175 G HA2 -0.230 3.731 3.960 0.002 0.000 0.248 175 G HA3 -0.230 3.731 3.960 0.002 0.000 0.248 175 G C -0.157 174.801 174.900 0.097 0.000 0.991 175 G CA 0.095 45.246 45.100 0.085 0.000 0.689 175 G HN 0.634 nan 8.290 nan 0.000 0.522 176 D N 0.687 121.180 120.400 0.155 0.000 2.470 176 D HA 0.353 4.994 4.640 0.002 0.000 0.226 176 D C 1.993 178.325 176.300 0.054 0.000 1.196 176 D CA -0.362 53.702 54.000 0.106 0.000 0.979 176 D CB -0.118 40.768 40.800 0.143 0.000 1.059 176 D HN 0.311 nan 8.370 nan 0.000 0.515 177 L N 2.289 123.532 121.223 0.033 0.000 2.042 177 L HA -0.199 4.142 4.340 0.002 0.000 0.210 177 L C 2.009 178.872 176.870 -0.011 0.000 1.076 177 L CA 1.105 55.958 54.840 0.022 0.000 0.749 177 L CB -0.134 41.930 42.059 0.009 0.000 0.893 177 L HN 0.250 nan 8.230 nan 0.000 0.432 178 E N 0.007 120.182 120.200 -0.042 0.000 2.110 178 E HA -0.174 4.177 4.350 0.002 0.000 0.193 178 E C 2.173 178.711 176.600 -0.103 0.000 0.988 178 E CA 0.897 57.255 56.400 -0.071 0.000 0.804 178 E CB -0.016 29.640 29.700 -0.074 0.000 0.745 178 E HN 0.237 nan 8.360 nan 0.000 0.458 179 K N 0.246 120.545 120.400 -0.169 0.000 2.217 179 K HA -0.027 4.294 4.320 0.002 0.000 0.202 179 K C 2.084 178.684 176.600 -0.001 0.000 1.051 179 K CA 0.612 56.741 56.287 -0.263 0.000 0.952 179 K CB -0.166 31.729 32.500 -1.010 0.000 0.736 179 K HN 0.091 nan 8.250 nan 0.000 0.453 180 V N 2.074 122.021 119.914 0.054 0.000 2.343 180 V HA -0.233 3.888 4.120 0.002 0.000 0.247 180 V C 2.323 178.475 176.094 0.098 0.000 1.051 180 V CA 1.265 63.658 62.300 0.155 0.000 1.036 180 V CB -0.378 31.526 31.823 0.135 0.000 0.654 180 V HN 0.160 nan 8.190 nan 0.000 0.451 181 I N 0.121 120.703 120.570 0.020 0.000 2.179 181 I HA -0.226 3.945 4.170 0.002 0.000 0.242 181 I C 2.531 178.605 176.117 -0.070 0.000 1.088 181 I CA 1.703 62.989 61.300 -0.022 0.000 1.357 181 I CB -1.256 36.713 38.000 -0.052 0.000 1.051 181 I HN 0.499 nan 8.210 nan 0.000 0.409 182 E N 0.662 120.786 120.200 -0.127 0.000 2.058 182 E HA -0.243 4.108 4.350 0.002 0.000 0.194 182 E C 2.216 178.579 176.600 -0.396 0.000 0.997 182 E CA 1.672 57.883 56.400 -0.315 0.000 0.801 182 E CB -0.080 29.349 29.700 -0.452 0.000 0.746 182 E HN 0.407 nan 8.360 nan 0.000 0.450 183 F N 0.172 120.112 119.950 -0.017 0.000 2.473 183 F HA -0.023 4.505 4.527 0.001 0.000 0.294 183 F C 2.698 178.503 175.800 0.009 0.000 1.103 183 F CA 1.276 59.300 58.000 0.039 0.000 1.442 183 F CB -0.305 38.803 39.000 0.180 0.000 1.097 183 F HN 0.113 nan 8.300 nan 0.000 0.547 184 T N -3.352 111.286 114.554 0.142 0.000 2.746 184 T HA -0.168 4.183 4.350 0.002 0.000 0.267 184 T C 1.963 176.646 174.700 -0.029 0.000 1.039 184 T CA 1.893 64.025 62.100 0.052 0.000 1.142 184 T CB -1.028 67.874 68.868 0.055 0.000 0.866 184 T HN 0.139 nan 8.240 nan 0.000 0.444 185 T N 1.799 116.311 114.554 -0.069 0.000 2.746 185 T HA -0.042 4.309 4.350 0.002 0.000 0.267 185 T C 1.981 176.574 174.700 -0.179 0.000 1.039 185 T CA 1.473 63.505 62.100 -0.112 0.000 1.142 185 T CB -0.272 68.512 68.868 -0.139 0.000 0.866 185 T HN 0.489 nan 8.240 nan 0.000 0.444 186 K N 0.991 121.223 120.400 -0.280 0.000 2.057 186 K HA 0.037 4.358 4.320 0.002 0.000 0.207 186 K C 2.641 179.016 176.600 -0.375 0.000 1.049 186 K CA 1.147 57.132 56.287 -0.503 0.000 0.931 186 K CB -0.286 31.631 32.500 -0.973 0.000 0.714 186 K HN 0.280 nan 8.250 nan 0.000 0.440 187 A N 1.172 123.903 122.820 -0.148 0.000 1.877 187 A HA -0.145 4.176 4.320 0.002 0.000 0.216 187 A C 2.066 179.600 177.584 -0.084 0.000 1.186 187 A CA 1.344 53.348 52.037 -0.056 0.000 0.620 187 A CB -0.653 18.240 19.000 -0.178 0.000 0.822 187 A HN 0.183 nan 8.150 nan 0.000 0.443 188 L N -0.754 120.420 121.223 -0.082 0.000 2.275 188 L HA -0.148 4.193 4.340 0.002 0.000 0.215 188 L C 2.383 179.240 176.870 -0.023 0.000 1.119 188 L CA 1.086 55.910 54.840 -0.026 0.000 0.790 188 L CB -0.456 41.599 42.059 -0.006 0.000 0.919 188 L HN 0.467 nan 8.230 nan 0.000 0.443 189 E N 0.206 120.368 120.200 -0.064 0.000 2.204 189 E HA -0.179 4.172 4.350 0.002 0.000 0.194 189 E C 2.145 178.729 176.600 -0.025 0.000 0.989 189 E CA 1.065 57.431 56.400 -0.056 0.000 0.824 189 E CB 0.067 29.706 29.700 -0.102 0.000 0.756 189 E HN 0.538 nan 8.360 nan 0.000 0.477 190 I N -0.055 120.507 120.570 -0.014 0.000 2.628 190 I HA -0.053 4.118 4.170 0.002 0.000 0.255 190 I C 0.744 176.881 176.117 0.034 0.000 1.119 190 I CA 0.609 61.919 61.300 0.017 0.000 1.448 190 I CB 0.382 38.407 38.000 0.042 0.000 1.133 190 I HN -0.219 nan 8.210 nan 0.000 0.438 191 K N 1.228 121.657 120.400 0.049 0.000 2.624 191 K HA 0.290 4.611 4.320 0.002 0.000 0.200 191 K C -2.151 174.503 176.600 0.090 0.000 1.036 191 K CA -1.511 54.826 56.287 0.083 0.000 1.029 191 K CB 1.270 33.858 32.500 0.148 0.000 1.317 191 K HN -0.132 nan 8.250 nan 0.000 0.555 192 P HA -0.060 nan 4.420 nan 0.000 0.228 192 P C 0.061 177.397 177.300 0.059 0.000 1.151 192 P CA 0.928 64.061 63.100 0.056 0.000 0.770 192 P CB 0.418 32.145 31.700 0.045 0.000 0.786 193 D N -2.437 118.002 120.400 0.066 0.000 2.501 193 D HA 0.003 4.644 4.640 0.002 0.000 0.226 193 D C 0.111 176.454 176.300 0.071 0.000 1.198 193 D CA -0.101 53.926 54.000 0.045 0.000 0.830 193 D CB -0.350 40.467 40.800 0.027 0.000 1.014 193 D HN 0.246 nan 8.370 nan 0.000 0.496 194 H N 1.963 121.041 119.070 0.014 0.000 3.145 194 H HA 0.004 4.561 4.556 0.001 0.000 0.263 194 H C 1.347 176.684 175.328 0.014 0.000 1.057 194 H CA 0.342 56.407 56.048 0.027 0.000 1.477 194 H CB 0.877 30.660 29.762 0.035 0.000 1.529 194 H HN -0.019 nan 8.280 nan 0.000 0.508 195 S N 3.807 119.486 115.700 -0.036 0.000 2.368 195 S HA -0.181 4.290 4.470 0.002 0.000 0.224 195 S C 2.073 176.703 174.600 0.050 0.000 1.029 195 S CA 1.012 59.194 58.200 -0.030 0.000 0.988 195 S CB 0.060 63.286 63.200 0.043 0.000 0.838 195 S HN 0.611 nan 8.310 nan 0.000 0.462 196 K N 2.047 122.506 120.400 0.099 0.000 2.032 196 K HA 0.023 4.344 4.320 0.002 0.000 0.209 196 K C 2.236 178.987 176.600 0.252 0.000 1.048 196 K CA 1.401 57.805 56.287 0.194 0.000 0.927 196 K CB -0.838 31.791 32.500 0.214 0.000 0.712 196 K HN 0.439 nan 8.250 nan 0.000 0.441 197 A N 0.600 123.679 122.820 0.431 0.000 1.930 197 A HA -0.078 4.243 4.320 0.002 0.000 0.217 197 A C 2.139 179.788 177.584 0.109 0.000 1.175 197 A CA 1.304 53.446 52.037 0.175 0.000 0.627 197 A CB -0.577 18.419 19.000 -0.006 0.000 0.815 197 A HN 0.332 nan 8.150 nan 0.000 0.443 198 L N -0.823 120.459 121.223 0.099 0.000 2.056 198 L HA -0.152 4.189 4.340 0.002 0.000 0.207 198 L C 2.564 179.442 176.870 0.014 0.000 1.078 198 L CA 1.016 55.875 54.840 0.031 0.000 0.749 198 L CB -0.414 41.627 42.059 -0.029 0.000 0.901 198 L HN 0.376 nan 8.230 nan 0.000 0.433 199 L N -0.843 120.387 121.223 0.011 0.000 2.056 199 L HA -0.174 4.167 4.340 0.002 0.000 0.207 199 L C 2.818 179.717 176.870 0.049 0.000 1.078 199 L CA 1.154 56.001 54.840 0.013 0.000 0.749 199 L CB -0.353 41.717 42.059 0.018 0.000 0.901 199 L HN 0.178 nan 8.230 nan 0.000 0.433 200 R N -0.635 119.909 120.500 0.073 0.000 2.081 200 R HA -0.160 4.181 4.340 0.002 0.000 0.235 200 R C 2.441 178.781 176.300 0.068 0.000 1.131 200 R CA 1.177 57.325 56.100 0.081 0.000 0.960 200 R CB -0.318 30.044 30.300 0.103 0.000 0.856 200 R HN 0.243 nan 8.270 nan 0.000 0.436 201 R N 0.643 121.178 120.500 0.059 0.000 2.092 201 R HA -0.060 4.281 4.340 0.002 0.000 0.231 201 R C 2.113 178.438 176.300 0.041 0.000 1.119 201 R CA 1.342 57.469 56.100 0.046 0.000 0.970 201 R CB -0.174 30.150 30.300 0.039 0.000 0.864 201 R HN 0.225 nan 8.270 nan 0.000 0.440 202 A N 0.050 122.896 122.820 0.043 0.000 1.908 202 A HA -0.185 4.136 4.320 0.002 0.000 0.218 202 A C 2.186 179.801 177.584 0.052 0.000 1.181 202 A CA 1.991 54.056 52.037 0.046 0.000 0.627 202 A CB -0.733 18.288 19.000 0.034 0.000 0.818 202 A HN 0.452 nan 8.150 nan 0.000 0.445 203 S N -0.539 115.192 115.700 0.051 0.000 2.356 203 S HA -0.043 4.428 4.470 0.002 0.000 0.223 203 S C 2.198 176.829 174.600 0.050 0.000 1.032 203 S CA 1.649 59.883 58.200 0.056 0.000 1.005 203 S CB -0.485 62.750 63.200 0.058 0.000 0.867 203 S HN 0.828 nan 8.310 nan 0.000 0.449 204 A N 1.112 123.958 122.820 0.043 0.000 1.930 204 A HA -0.062 4.259 4.320 0.002 0.000 0.217 204 A C 1.953 179.539 177.584 0.003 0.000 1.175 204 A CA 1.725 53.780 52.037 0.030 0.000 0.627 204 A CB -1.026 17.995 19.000 0.035 0.000 0.815 204 A HN 0.736 nan 8.150 nan 0.000 0.443 205 N N -0.827 117.873 118.700 0.001 0.000 2.120 205 N HA -0.177 4.564 4.740 0.002 0.000 0.188 205 N C 1.908 177.384 175.510 -0.056 0.000 1.024 205 N CA 1.276 54.305 53.050 -0.035 0.000 0.852 205 N CB -0.133 38.344 38.487 -0.016 0.000 1.003 205 N HN 0.711 nan 8.380 nan 0.000 0.424 206 E N 0.636 120.854 120.200 0.030 0.000 2.058 206 E HA -0.183 4.168 4.350 0.002 0.000 0.194 206 E C 1.614 178.262 176.600 0.080 0.000 0.997 206 E CA 1.327 57.800 56.400 0.121 0.000 0.801 206 E CB 0.076 29.879 29.700 0.172 0.000 0.746 206 E HN 0.207 nan 8.360 nan 0.000 0.450 207 S N 0.508 116.237 115.700 0.048 0.000 2.383 207 S HA -0.129 4.342 4.470 0.002 0.000 0.229 207 S C 1.809 176.396 174.600 -0.021 0.000 1.030 207 S CA 0.966 59.186 58.200 0.033 0.000 1.002 207 S CB -0.146 63.073 63.200 0.031 0.000 0.829 207 S HN 0.310 nan 8.310 nan 0.000 0.467 208 L N 0.369 121.545 121.223 -0.078 0.000 2.554 208 L HA 0.190 4.531 4.340 0.002 0.000 0.226 208 L C 1.665 178.397 176.870 -0.230 0.000 1.137 208 L CA 0.425 55.195 54.840 -0.117 0.000 0.863 208 L CB -0.408 41.587 42.059 -0.107 0.000 0.985 208 L HN 0.522 nan 8.230 nan 0.000 0.451 209 G N 0.145 108.693 108.800 -0.419 0.000 2.141 209 G HA2 -0.247 3.714 3.960 0.002 0.000 0.242 209 G HA3 -0.247 3.714 3.960 0.002 0.000 0.242 209 G C 0.052 174.279 174.900 -1.122 0.000 0.982 209 G CA -0.225 44.302 45.100 -0.955 0.000 0.662 209 G HN 0.361 nan 8.290 nan 0.000 0.527 210 N N 0.763 119.068 118.700 -0.659 0.000 3.188 210 N HA 0.399 5.140 4.740 0.002 0.000 0.279 210 N C 0.830 176.189 175.510 -0.252 0.000 1.213 210 N CA -0.334 52.489 53.050 -0.377 0.000 1.138 210 N CB -0.074 38.299 38.487 -0.190 0.000 1.417 210 N HN 0.186 nan 8.380 nan 0.000 0.526 211 F N 0.443 120.397 119.950 0.006 0.000 2.259 211 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 211 F C 2.619 178.433 175.800 0.022 0.000 1.088 211 F CA 0.730 58.737 58.000 0.012 0.000 1.358 211 F CB -0.888 38.115 39.000 0.005 0.000 1.040 211 F HN 0.255 nan 8.300 nan 0.000 0.505 212 T N -2.723 111.926 114.554 0.157 0.000 2.777 212 T HA -0.147 4.204 4.350 0.002 0.000 0.266 212 T C 1.551 176.319 174.700 0.113 0.000 1.040 212 T CA 1.513 63.684 62.100 0.119 0.000 1.141 212 T CB -0.465 68.446 68.868 0.071 0.000 0.868 212 T HN 0.074 nan 8.240 nan 0.000 0.444 213 D N 1.927 122.363 120.400 0.060 0.000 2.144 213 D HA 0.110 4.751 4.640 0.002 0.000 0.200 213 D C 2.483 178.852 176.300 0.115 0.000 0.978 213 D CA 1.302 55.339 54.000 0.061 0.000 0.833 213 D CB -0.615 40.180 40.800 -0.008 0.000 0.961 213 D HN 0.558 nan 8.370 nan 0.000 0.470 214 A N 0.838 123.717 122.820 0.097 0.000 1.877 214 A HA -0.170 4.151 4.320 0.002 0.000 0.216 214 A C 2.274 179.925 177.584 0.111 0.000 1.186 214 A CA 1.324 53.424 52.037 0.104 0.000 0.620 214 A CB -0.560 18.515 19.000 0.125 0.000 0.822 214 A HN 0.140 nan 8.150 nan 0.000 0.443 215 M N -2.195 117.484 119.600 0.131 0.000 2.108 215 M HA -0.115 4.366 4.480 0.002 0.000 0.261 215 M C 2.162 178.525 176.300 0.105 0.000 1.066 215 M CA 1.800 57.163 55.300 0.106 0.000 1.107 215 M CB -0.451 32.217 32.600 0.113 0.000 1.356 215 M HN 0.545 nan 8.290 nan 0.000 0.406 216 F N 1.547 121.506 119.950 0.014 0.000 2.102 216 F HA -0.241 4.286 4.527 0.001 0.000 0.298 216 F C 1.936 177.732 175.800 -0.007 0.000 1.105 216 F CA 1.830 59.832 58.000 0.003 0.000 1.239 216 F CB -0.211 38.790 39.000 0.001 0.000 0.991 216 F HN 0.108 nan 8.300 nan 0.000 0.474 217 D N 0.364 120.850 120.400 0.143 0.000 2.144 217 D HA -0.133 4.508 4.640 0.002 0.000 0.200 217 D C 2.426 178.682 176.300 -0.073 0.000 0.978 217 D CA 1.281 55.298 54.000 0.029 0.000 0.833 217 D CB -0.454 40.390 40.800 0.072 0.000 0.961 217 D HN 0.315 nan 8.370 nan 0.000 0.470 218 L N 0.503 121.699 121.223 -0.045 0.000 2.083 218 L HA -0.147 4.193 4.340 0.002 0.000 0.209 218 L C 2.458 179.261 176.870 -0.112 0.000 1.083 218 L CA 0.803 55.600 54.840 -0.072 0.000 0.752 218 L CB -0.294 41.750 42.059 -0.025 0.000 0.899 218 L HN -0.060 nan 8.230 nan 0.000 0.433 219 S N -0.485 115.133 115.700 -0.136 0.000 2.356 219 S HA -0.158 4.313 4.470 0.002 0.000 0.223 219 S C 2.049 176.515 174.600 -0.223 0.000 1.032 219 S CA 1.315 59.410 58.200 -0.175 0.000 1.005 219 S CB -0.282 62.794 63.200 -0.207 0.000 0.867 219 S HN 0.165 nan 8.310 nan 0.000 0.449 220 V N 1.877 121.600 119.914 -0.317 0.000 2.343 220 V HA -0.153 3.968 4.120 0.002 0.000 0.247 220 V C 2.261 178.244 176.094 -0.185 0.000 1.051 220 V CA 1.548 63.687 62.300 -0.269 0.000 1.036 220 V CB -0.694 30.959 31.823 -0.284 0.000 0.654 220 V HN 0.339 nan 8.190 nan 0.000 0.451 221 L N 1.238 122.339 121.223 -0.202 0.000 2.013 221 L HA -0.214 4.127 4.340 0.002 0.000 0.212 221 L C 2.743 179.480 176.870 -0.222 0.000 1.073 221 L CA 2.600 57.272 54.840 -0.279 0.000 0.753 221 L CB -0.718 41.124 42.059 -0.361 0.000 0.890 221 L HN 0.541 nan 8.230 nan 0.000 0.432 222 S N -1.207 114.410 115.700 -0.139 0.000 2.419 222 S HA -0.188 4.283 4.470 0.002 0.000 0.235 222 S C 1.947 176.538 174.600 -0.016 0.000 1.019 222 S CA 1.410 59.581 58.200 -0.047 0.000 0.982 222 S CB -0.992 62.188 63.200 -0.033 0.000 0.789 222 S HN 0.528 nan 8.310 nan 0.000 0.490 223 L N 1.283 122.476 121.223 -0.049 0.000 2.465 223 L HA 0.095 4.436 4.340 0.002 0.000 0.224 223 L C 1.157 178.031 176.870 0.008 0.000 1.145 223 L CA 0.201 55.025 54.840 -0.028 0.000 0.834 223 L CB -0.745 41.281 42.059 -0.055 0.000 0.944 223 L HN 0.326 nan 8.230 nan 0.000 0.451 224 N N 1.206 119.923 118.700 0.029 0.000 2.420 224 N HA 0.011 4.752 4.740 0.002 0.000 0.262 224 N C 1.067 176.679 175.510 0.170 0.000 1.144 224 N CA 0.334 53.450 53.050 0.110 0.000 0.952 224 N CB 1.744 40.328 38.487 0.162 0.000 1.081 224 N HN 0.069 nan 8.380 nan 0.000 0.480 225 G N 2.632 111.495 108.800 0.104 0.000 2.559 225 G HA2 -0.193 3.768 3.960 0.002 0.000 0.216 225 G HA3 -0.193 3.768 3.960 0.002 0.000 0.216 225 G C 0.871 175.804 174.900 0.056 0.000 1.126 225 G CA 0.186 45.328 45.100 0.070 0.000 0.778 225 G HN 0.580 nan 8.290 nan 0.000 0.543 226 D N -0.174 120.271 120.400 0.076 0.000 2.310 226 D HA 0.022 4.663 4.640 0.002 0.000 0.212 226 D C -0.001 176.118 176.300 -0.301 0.000 0.965 226 D CA 0.449 54.396 54.000 -0.089 0.000 0.879 226 D CB -0.010 40.723 40.800 -0.112 0.000 0.921 226 D HN 0.318 nan 8.370 nan 0.000 0.510 227 F N 0.668 120.612 119.950 -0.009 0.000 2.467 227 F HA 0.168 4.696 4.527 0.001 0.000 0.336 227 F C 0.575 176.371 175.800 -0.007 0.000 1.123 227 F CA -1.431 56.565 58.000 -0.007 0.000 0.964 227 F CB 1.320 40.316 39.000 -0.007 0.000 1.136 227 F HN -0.360 nan 8.300 nan 0.000 0.447 228 D N 2.622 123.085 120.400 0.106 0.000 2.401 228 D HA 0.070 4.711 4.640 0.002 0.000 0.254 228 D C 1.379 177.734 176.300 0.091 0.000 1.192 228 D CA 0.356 54.398 54.000 0.071 0.000 0.885 228 D CB 1.727 42.547 40.800 0.033 0.000 1.147 228 D HN 0.744 nan 8.370 nan 0.000 0.478 229 G N 3.580 112.420 108.800 0.067 0.000 2.503 229 G HA2 -0.315 3.646 3.960 0.002 0.000 0.221 229 G HA3 -0.315 3.646 3.960 0.002 0.000 0.221 229 G C 1.409 176.334 174.900 0.042 0.000 1.131 229 G CA 1.119 46.249 45.100 0.049 0.000 0.756 229 G HN 0.650 nan 8.290 nan 0.000 0.572 230 A N 0.939 123.781 122.820 0.037 0.000 2.019 230 A HA 0.022 4.343 4.320 0.002 0.000 0.219 230 A C 2.653 180.259 177.584 0.038 0.000 1.164 230 A CA 2.339 54.394 52.037 0.031 0.000 0.644 230 A CB -0.516 18.498 19.000 0.024 0.000 0.805 230 A HN 0.824 nan 8.150 nan 0.000 0.449 231 S N -1.044 114.689 115.700 0.055 0.000 2.527 231 S HA 0.116 4.587 4.470 0.002 0.000 0.222 231 S C 1.481 176.122 174.600 0.068 0.000 0.985 231 S CA 1.007 59.246 58.200 0.066 0.000 0.921 231 S CB -0.381 62.873 63.200 0.090 0.000 0.772 231 S HN 0.464 nan 8.310 nan 0.000 0.529 232 I N 0.597 121.202 120.570 0.059 0.000 3.790 232 I HA 0.193 4.364 4.170 0.002 0.000 0.305 232 I C 2.424 178.553 176.117 0.020 0.000 1.253 232 I CA 0.371 61.693 61.300 0.035 0.000 1.355 232 I CB -0.029 37.981 38.000 0.017 0.000 1.137 232 I HN 0.191 nan 8.210 nan 0.000 0.435 233 E N 2.288 122.500 120.200 0.020 0.000 2.114 233 E HA -0.209 4.142 4.350 0.002 0.000 0.199 233 E C -0.719 175.887 176.600 0.010 0.000 1.008 233 E CA 2.140 58.547 56.400 0.013 0.000 0.810 233 E CB -1.155 28.553 29.700 0.014 0.000 0.739 233 E HN 0.273 nan 8.360 nan 0.000 0.456 234 P HA -0.154 nan 4.420 nan 0.000 0.217 234 P C 1.411 178.715 177.300 0.006 0.000 1.150 234 P CA 1.979 65.084 63.100 0.008 0.000 0.832 234 P CB -0.213 31.494 31.700 0.013 0.000 0.787 235 M N -2.180 117.428 119.600 0.013 0.000 2.254 235 M HA 0.014 4.495 4.480 0.002 0.000 0.265 235 M C 2.017 178.324 176.300 0.013 0.000 1.066 235 M CA 1.711 57.021 55.300 0.016 0.000 1.123 235 M CB -1.909 30.706 32.600 0.025 0.000 1.388 235 M HN -0.035 nan 8.290 nan 0.000 0.425 236 L N 0.847 122.076 121.223 0.009 0.000 2.017 236 L HA -0.180 4.161 4.340 0.002 0.000 0.208 236 L C 2.827 179.696 176.870 -0.002 0.000 1.073 236 L CA 1.747 56.592 54.840 0.008 0.000 0.745 236 L CB -0.687 41.374 42.059 0.004 0.000 0.894 236 L HN 0.423 nan 8.230 nan 0.000 0.432 237 E N 0.313 120.508 120.200 -0.009 0.000 2.077 237 E HA -0.288 4.063 4.350 0.002 0.000 0.193 237 E C 2.358 178.930 176.600 -0.047 0.000 0.989 237 E CA 1.211 57.597 56.400 -0.025 0.000 0.800 237 E CB 0.039 29.727 29.700 -0.019 0.000 0.746 237 E HN 0.292 nan 8.360 nan 0.000 0.452 238 R N 0.314 120.789 120.500 -0.042 0.000 2.066 238 R HA -0.116 4.225 4.340 0.002 0.000 0.232 238 R C 2.119 178.348 176.300 -0.119 0.000 1.131 238 R CA 1.637 57.695 56.100 -0.069 0.000 0.955 238 R CB -0.181 30.095 30.300 -0.040 0.000 0.851 238 R HN 0.206 nan 8.270 nan 0.000 0.432 239 N N 0.915 119.574 118.700 -0.069 0.000 2.166 239 N HA -0.183 4.558 4.740 0.002 0.000 0.186 239 N C 1.800 177.238 175.510 -0.120 0.000 1.019 239 N CA 1.124 54.130 53.050 -0.074 0.000 0.856 239 N CB -0.191 38.345 38.487 0.081 0.000 0.993 239 N HN 0.182 nan 8.380 nan 0.000 0.426 240 L N 2.238 123.420 121.223 -0.069 0.000 2.012 240 L HA -0.098 4.243 4.340 0.002 0.000 0.210 240 L C 1.639 178.431 176.870 -0.129 0.000 1.073 240 L CA 1.708 56.507 54.840 -0.068 0.000 0.748 240 L CB -0.902 41.130 42.059 -0.045 0.000 0.891 240 L HN 0.065 nan 8.230 nan 0.000 0.431 241 N N -0.040 118.568 118.700 -0.152 0.000 2.188 241 N HA -0.172 4.569 4.740 0.002 0.000 0.184 241 N C 1.800 177.164 175.510 -0.244 0.000 1.018 241 N CA 1.347 54.295 53.050 -0.171 0.000 0.858 241 N CB -0.173 38.228 38.487 -0.142 0.000 0.989 241 N HN 0.449 nan 8.380 nan 0.000 0.426 242 K N 0.494 120.656 120.400 -0.396 0.000 2.097 242 K HA -0.153 4.168 4.320 0.002 0.000 0.206 242 K C 2.031 178.274 176.600 -0.596 0.000 1.049 242 K CA 0.984 56.859 56.287 -0.686 0.000 0.933 242 K CB -0.013 31.643 32.500 -1.407 0.000 0.717 242 K HN 0.051 nan 8.250 nan 0.000 0.442 243 Q N 0.946 120.511 119.800 -0.391 0.000 2.079 243 Q HA -0.060 4.281 4.340 0.002 0.000 0.200 243 Q C 1.842 177.827 176.000 -0.026 0.000 0.974 243 Q CA 1.847 57.634 55.803 -0.027 0.000 0.840 243 Q CB -0.275 28.507 28.738 0.074 0.000 0.898 243 Q HN 0.260 nan 8.270 nan 0.000 0.430 244 A N 0.322 123.093 122.820 -0.082 0.000 1.883 244 A HA -0.195 4.126 4.320 0.002 0.000 0.217 244 A C 2.170 179.712 177.584 -0.069 0.000 1.186 244 A CA 1.903 53.894 52.037 -0.077 0.000 0.624 244 A CB -0.624 18.305 19.000 -0.117 0.000 0.822 244 A HN 0.528 nan 8.150 nan 0.000 0.444 245 M N -0.830 118.715 119.600 -0.092 0.000 2.132 245 M HA -0.145 4.336 4.480 0.002 0.000 0.263 245 M C 2.297 178.581 176.300 -0.026 0.000 1.065 245 M CA 2.002 57.261 55.300 -0.068 0.000 1.122 245 M CB -0.342 32.206 32.600 -0.087 0.000 1.365 245 M HN 0.534 nan 8.290 nan 0.000 0.411 246 K N 0.663 121.062 120.400 -0.000 0.000 2.032 246 K HA -0.166 4.155 4.320 0.002 0.000 0.209 246 K C 1.660 178.288 176.600 0.046 0.000 1.048 246 K CA 1.723 58.051 56.287 0.068 0.000 0.927 246 K CB -0.121 32.493 32.500 0.190 0.000 0.712 246 K HN 0.149 nan 8.250 nan 0.000 0.441 247 V N 1.581 121.516 119.914 0.035 0.000 2.307 247 V HA -0.227 3.894 4.120 0.002 0.000 0.245 247 V C 2.359 178.457 176.094 0.007 0.000 1.045 247 V CA 1.489 63.803 62.300 0.024 0.000 1.024 247 V CB -0.483 31.353 31.823 0.023 0.000 0.651 247 V HN 0.376 nan 8.190 nan 0.000 0.449 248 L N 0.985 122.203 121.223 -0.009 0.000 2.012 248 L HA -0.224 4.117 4.340 0.002 0.000 0.210 248 L C 2.027 178.892 176.870 -0.010 0.000 1.073 248 L CA 2.329 57.159 54.840 -0.017 0.000 0.748 248 L CB -1.093 40.945 42.059 -0.035 0.000 0.891 248 L HN 0.392 nan 8.230 nan 0.000 0.431 249 N N -0.935 117.761 118.700 -0.006 0.000 2.120 249 N HA -0.202 4.539 4.740 0.002 0.000 0.188 249 N C 1.672 177.185 175.510 0.004 0.000 1.024 249 N CA 1.345 54.394 53.050 -0.001 0.000 0.852 249 N CB -0.116 38.374 38.487 0.004 0.000 1.003 249 N HN 0.496 nan 8.380 nan 0.000 0.424 250 E N 0.551 120.757 120.200 0.010 0.000 2.085 250 E HA -0.152 4.199 4.350 0.002 0.000 0.194 250 E C 1.376 177.979 176.600 0.005 0.000 0.994 250 E CA 0.898 57.305 56.400 0.010 0.000 0.801 250 E CB 0.050 29.759 29.700 0.016 0.000 0.743 250 E HN 0.355 nan 8.360 nan 0.000 0.453 251 N N 0.420 119.123 118.700 0.004 0.000 2.188 251 N HA -0.092 4.649 4.740 0.002 0.000 0.184 251 N C 1.839 177.347 175.510 -0.002 0.000 1.018 251 N CA 0.726 53.777 53.050 0.002 0.000 0.858 251 N CB -0.133 38.355 38.487 0.002 0.000 0.989 251 N HN 0.145 nan 8.380 nan 0.000 0.426 252 L N 0.743 121.963 121.223 -0.005 0.000 2.141 252 L HA -0.116 4.225 4.340 0.002 0.000 0.209 252 L C 2.358 179.225 176.870 -0.006 0.000 1.094 252 L CA 1.092 55.927 54.840 -0.008 0.000 0.763 252 L CB -0.400 41.653 42.059 -0.010 0.000 0.908 252 L HN 0.243 nan 8.230 nan 0.000 0.437 253 S N -0.208 115.491 115.700 -0.003 0.000 2.395 253 S HA -0.104 4.367 4.470 0.002 0.000 0.225 253 S C 1.145 175.744 174.600 -0.002 0.000 1.027 253 S CA 0.103 58.302 58.200 -0.001 0.000 0.965 253 S CB -0.249 62.952 63.200 0.001 0.000 0.812 253 S HN 0.411 nan 8.310 nan 0.000 0.482 262 V N 2.397 122.321 119.914 0.016 0.000 2.435 262 V HA 0.473 4.594 4.120 0.002 0.000 0.290 262 V C -0.312 175.775 176.094 -0.011 0.000 1.030 262 V CA -0.557 61.747 62.300 0.006 0.000 0.881 262 V CB 1.133 32.954 31.823 -0.004 0.000 0.983 262 V HN 0.184 nan 8.190 nan 0.000 0.445 263 L N 8.291 129.512 121.223 -0.003 0.000 2.453 263 L HA 0.435 4.776 4.340 0.002 0.000 0.261 263 L C -1.890 174.932 176.870 -0.081 0.000 1.179 263 L CA -1.667 53.149 54.840 -0.039 0.000 0.813 263 L CB 0.828 42.897 42.059 0.015 0.000 1.110 263 L HN 0.505 nan 8.230 nan 0.000 0.466 264 P HA 0.017 nan 4.420 nan 0.000 0.272 264 P C -0.646 176.588 177.300 -0.110 0.000 1.254 264 P CA -0.483 62.532 63.100 -0.143 0.000 0.795 264 P CB 0.307 31.881 31.700 -0.211 0.000 1.022 265 S N -0.347 115.304 115.700 -0.082 0.000 2.576 265 S HA 0.037 4.507 4.470 0.002 0.000 0.272 265 S C 1.004 175.554 174.600 -0.082 0.000 1.352 265 S CA 0.062 58.231 58.200 -0.052 0.000 1.021 265 S CB -0.418 62.766 63.200 -0.027 0.000 0.887 265 S HN 0.356 nan 8.310 nan 0.000 0.542 266 N N 0.706 119.393 118.700 -0.021 0.000 2.244 266 N HA -0.081 4.660 4.740 0.002 0.000 0.183 266 N C 1.600 177.119 175.510 0.015 0.000 1.016 266 N CA 1.445 54.498 53.050 0.004 0.000 0.866 266 N CB -0.377 38.213 38.487 0.171 0.000 0.980 266 N HN 0.683 nan 8.380 nan 0.000 0.430 267 T N -0.079 114.498 114.554 0.038 0.000 2.684 267 T HA -0.183 4.168 4.350 0.002 0.000 0.267 267 T C 2.265 176.994 174.700 0.049 0.000 1.036 267 T CA 1.665 63.804 62.100 0.064 0.000 1.148 267 T CB -0.396 68.503 68.868 0.051 0.000 0.863 267 T HN 0.405 nan 8.240 nan 0.000 0.436 268 S N 1.441 117.139 115.700 -0.003 0.000 2.406 268 S HA 0.066 4.537 4.470 0.002 0.000 0.228 268 S C 2.122 176.710 174.600 -0.020 0.000 1.020 268 S CA 0.528 58.730 58.200 0.003 0.000 0.965 268 S CB -0.735 62.447 63.200 -0.030 0.000 0.798 268 S HN 0.423 nan 8.310 nan 0.000 0.488 269 L N 1.346 122.469 121.223 -0.167 0.000 2.046 269 L HA -0.023 4.318 4.340 0.002 0.000 0.208 269 L C 3.231 180.112 176.870 0.017 0.000 1.077 269 L CA 1.250 55.921 54.840 -0.282 0.000 0.747 269 L CB -0.853 40.612 42.059 -0.990 0.000 0.896 269 L HN 0.479 nan 8.230 nan 0.000 0.432 270 A N -0.878 121.988 122.820 0.076 0.000 1.933 270 A HA -0.237 4.084 4.320 0.002 0.000 0.218 270 A C 2.547 180.300 177.584 0.282 0.000 1.175 270 A CA 2.025 54.260 52.037 0.330 0.000 0.628 270 A CB -0.684 18.497 19.000 0.301 0.000 0.814 270 A HN 0.389 nan 8.150 nan 0.000 0.444 271 S N -1.465 114.358 115.700 0.205 0.000 2.356 271 S HA -0.178 4.293 4.470 0.002 0.000 0.223 271 S C 1.802 176.433 174.600 0.052 0.000 1.032 271 S CA 1.672 59.962 58.200 0.151 0.000 1.005 271 S CB -0.529 62.777 63.200 0.177 0.000 0.867 271 S HN 0.582 nan 8.310 nan 0.000 0.449 272 F N 0.995 120.919 119.950 -0.043 0.000 2.134 272 F HA 0.062 4.590 4.527 0.002 0.000 0.299 272 F C 1.356 177.110 175.800 -0.077 0.000 1.097 272 F CA 1.428 59.353 58.000 -0.126 0.000 1.264 272 F CB -0.342 38.453 39.000 -0.342 0.000 1.001 272 F HN 0.262 nan 8.300 nan 0.000 0.479 273 F N 0.321 120.528 119.950 0.428 0.000 2.811 273 F HA 0.210 4.738 4.527 0.002 0.000 0.301 273 F C 2.368 178.432 175.800 0.441 0.000 1.151 273 F CA 0.569 58.913 58.000 0.573 0.000 1.412 273 F CB -1.088 38.205 39.000 0.489 0.000 1.113 273 F HN 0.020 nan 8.300 nan 0.000 0.579 274 G N 0.268 109.202 108.800 0.223 0.000 2.432 274 G HA2 -0.271 3.690 3.960 0.002 0.000 0.219 274 G HA3 -0.271 3.690 3.960 0.002 0.000 0.219 274 G C 1.698 176.597 174.900 -0.001 0.000 1.135 274 G CA 0.680 45.852 45.100 0.121 0.000 0.767 274 G HN 0.346 nan 8.290 nan 0.000 0.550 275 I N -0.097 120.255 120.570 -0.363 0.000 2.676 275 I HA 0.231 4.402 4.170 0.002 0.000 0.259 275 I C 0.299 176.181 176.117 -0.392 0.000 1.194 275 I CA -0.852 60.099 61.300 -0.581 0.000 1.473 275 I CB -0.230 37.100 38.000 -1.116 0.000 1.096 275 I HN -0.034 nan 8.210 nan 0.000 0.443 276 F N 0.724 120.754 119.950 0.132 0.000 2.380 276 F HA 0.225 4.753 4.527 0.001 0.000 0.325 276 F C 0.821 176.681 175.800 0.100 0.000 1.136 276 F CA -0.583 57.528 58.000 0.186 0.000 1.171 276 F CB 0.066 39.341 39.000 0.459 0.000 1.230 276 F HN -0.123 nan 8.300 nan 0.000 0.554 277 D N 0.858 121.396 120.400 0.231 0.000 2.365 277 D HA 0.120 4.761 4.640 0.002 0.000 0.237 277 D C 0.737 176.987 176.300 -0.084 0.000 1.190 277 D CA 0.209 54.269 54.000 0.100 0.000 0.867 277 D CB 1.114 41.994 40.800 0.135 0.000 1.050 277 D HN 0.441 nan 8.370 nan 0.000 0.491 278 S N 3.170 118.756 115.700 -0.190 0.000 2.359 278 S HA -0.191 4.280 4.470 0.002 0.000 0.224 278 S C 1.649 176.005 174.600 -0.407 0.000 1.035 278 S CA 0.900 58.798 58.200 -0.503 0.000 1.018 278 S CB -0.243 62.800 63.200 -0.260 0.000 0.876 278 S HN 0.638 nan 8.310 nan 0.000 0.448 279 H N 0.493 119.528 119.070 -0.060 0.000 2.353 279 H HA -0.015 4.542 4.556 0.002 0.000 0.300 279 H C 2.262 177.580 175.328 -0.017 0.000 1.090 279 H CA 1.333 57.370 56.048 -0.018 0.000 1.327 279 H CB -0.820 28.956 29.762 0.022 0.000 1.383 279 H HN 0.235 nan 8.280 nan 0.000 0.508 280 L N 1.536 122.821 121.223 0.103 0.000 2.012 280 L HA -0.167 4.174 4.340 0.002 0.000 0.210 280 L C 2.225 179.127 176.870 0.053 0.000 1.073 280 L CA 1.713 56.612 54.840 0.098 0.000 0.748 280 L CB -0.322 41.829 42.059 0.154 0.000 0.891 280 L HN 0.046 nan 8.230 nan 0.000 0.431 281 E N -0.569 119.605 120.200 -0.044 0.000 2.051 281 E HA -0.151 4.200 4.350 0.002 0.000 0.192 281 E C 2.342 178.920 176.600 -0.037 0.000 0.991 281 E CA 1.577 57.944 56.400 -0.054 0.000 0.799 281 E CB -0.682 28.827 29.700 -0.318 0.000 0.748 281 E HN 0.424 nan 8.360 nan 0.000 0.449 282 V N 1.863 121.735 119.914 -0.069 0.000 2.343 282 V HA -0.212 3.909 4.120 0.002 0.000 0.247 282 V C 2.344 178.458 176.094 0.033 0.000 1.051 282 V CA 1.983 64.282 62.300 -0.003 0.000 1.036 282 V CB -0.735 31.098 31.823 0.016 0.000 0.654 282 V HN 0.311 nan 8.190 nan 0.000 0.451 283 S N 0.486 116.214 115.700 0.046 0.000 2.607 283 S HA -0.068 4.403 4.470 0.002 0.000 0.224 283 S C 1.792 176.413 174.600 0.035 0.000 0.969 283 S CA 0.800 59.029 58.200 0.048 0.000 0.927 283 S CB -0.426 62.810 63.200 0.060 0.000 0.772 283 S HN 0.717 nan 8.310 nan 0.000 0.533 284 S N 0.387 116.111 115.700 0.039 0.000 2.562 284 S HA 0.190 4.661 4.470 0.002 0.000 0.221 284 S C 0.483 175.094 174.600 0.017 0.000 0.975 284 S CA -0.313 57.909 58.200 0.038 0.000 0.918 284 S CB -0.532 62.709 63.200 0.068 0.000 0.772 284 S HN 0.305 nan 8.310 nan 0.000 0.531 285 V N 3.827 123.750 119.914 0.016 0.000 2.521 285 V HA 0.201 4.322 4.120 0.002 0.000 0.286 285 V C 0.416 176.461 176.094 -0.081 0.000 1.034 285 V CA -0.547 61.752 62.300 -0.002 0.000 1.045 285 V CB 0.394 32.254 31.823 0.061 0.000 0.974 285 V HN 0.474 nan 8.190 nan 0.000 0.480 286 N N 3.548 122.166 118.700 -0.136 0.000 2.422 286 N HA 0.112 4.853 4.740 0.002 0.000 0.264 286 N C 0.843 176.106 175.510 -0.412 0.000 1.063 286 N CA 0.110 53.042 53.050 -0.196 0.000 0.959 286 N CB 1.759 40.156 38.487 -0.151 0.000 1.087 286 N HN 0.826 nan 8.380 nan 0.000 0.483 287 T N -1.017 113.291 114.554 -0.410 0.000 3.145 287 T HA 0.023 4.374 4.350 0.002 0.000 0.255 287 T C 1.206 175.722 174.700 -0.306 0.000 1.039 287 T CA 0.014 61.749 62.100 -0.609 0.000 0.928 287 T CB -0.323 68.338 68.868 -0.345 0.000 1.029 287 T HN 0.368 nan 8.240 nan 0.000 0.554 288 S N -0.015 115.561 115.700 -0.207 0.000 2.540 288 S HA 0.291 4.762 4.470 0.002 0.000 0.218 288 S C 0.800 175.354 174.600 -0.077 0.000 0.977 288 S CA -0.513 57.621 58.200 -0.108 0.000 0.918 288 S CB -0.097 63.055 63.200 -0.081 0.000 0.806 288 S HN 0.377 nan 8.310 nan 0.000 0.496 289 S N 1.233 116.886 115.700 -0.078 0.000 2.579 289 S HA 0.278 4.749 4.470 0.002 0.000 0.275 289 S C 0.669 175.244 174.600 -0.042 0.000 1.345 289 S CA -0.375 57.821 58.200 -0.007 0.000 1.031 289 S CB 0.243 63.482 63.200 0.066 0.000 0.892 289 S HN 0.618 nan 8.310 nan 0.000 0.529 290 N N 1.453 120.073 118.700 -0.133 0.000 2.280 290 N HA 0.209 4.950 4.740 0.002 0.000 0.192 290 N C -0.257 174.882 175.510 -0.618 0.000 1.109 290 N CA 0.164 52.964 53.050 -0.417 0.000 0.855 290 N CB 0.366 38.486 38.487 -0.612 0.000 0.974 290 N HN 0.609 nan 8.380 nan 0.000 0.482 291 Y N -1.052 119.281 120.300 0.055 0.000 2.437 291 Y HA 0.201 4.752 4.550 0.002 0.000 0.266 291 Y C 0.080 176.028 175.900 0.080 0.000 1.077 291 Y CA -0.661 57.473 58.100 0.057 0.000 1.235 291 Y CB 0.463 38.953 38.460 0.049 0.000 1.303 291 Y HN -0.085 nan 8.280 nan 0.000 0.536 292 D N 1.425 121.969 120.400 0.240 0.000 2.359 292 D HA 0.049 4.690 4.640 0.002 0.000 0.250 292 D C 0.923 177.351 176.300 0.214 0.000 1.264 292 D CA 0.468 54.623 54.000 0.259 0.000 0.911 292 D CB 0.956 41.961 40.800 0.342 0.000 1.056 292 D HN 0.325 nan 8.370 nan 0.000 0.499 293 T N 0.470 115.071 114.554 0.077 0.000 3.105 293 T HA 0.388 4.739 4.350 0.002 0.000 0.253 293 T C 1.091 175.715 174.700 -0.128 0.000 1.047 293 T CA 0.133 62.220 62.100 -0.021 0.000 0.944 293 T CB 0.533 69.385 68.868 -0.027 0.000 1.016 293 T HN 0.226 nan 8.240 nan 0.000 0.544 294 A N 0.689 123.420 122.820 -0.148 0.000 2.324 294 A HA 0.342 4.663 4.320 0.002 0.000 0.220 294 A C 1.645 179.129 177.584 -0.166 0.000 1.209 294 A CA -0.053 51.822 52.037 -0.269 0.000 0.918 294 A CB -0.534 18.107 19.000 -0.599 0.000 0.959 294 A HN 0.648 nan 8.150 nan 0.000 0.507 295 Y N -1.173 119.125 120.300 -0.003 0.000 2.403 295 Y HA 0.121 4.672 4.550 0.002 0.000 0.291 295 Y C 2.061 177.987 175.900 0.043 0.000 1.143 295 Y CA 0.618 58.777 58.100 0.098 0.000 1.257 295 Y CB -0.906 37.634 38.460 0.132 0.000 0.984 295 Y HN 0.170 nan 8.280 nan 0.000 0.550 296 A N 1.262 123.807 122.820 -0.458 0.000 1.940 296 A HA -0.174 4.147 4.320 0.002 0.000 0.219 296 A C 2.192 179.722 177.584 -0.089 0.000 1.176 296 A CA 1.893 53.779 52.037 -0.252 0.000 0.631 296 A CB -1.057 17.754 19.000 -0.315 0.000 0.814 296 A HN 0.539 nan 8.150 nan 0.000 0.446 297 L N -0.938 120.230 121.223 -0.093 0.000 2.072 297 L HA -0.043 4.298 4.340 0.002 0.000 0.205 297 L C 2.216 179.076 176.870 -0.017 0.000 1.079 297 L CA 1.897 56.699 54.840 -0.063 0.000 0.752 297 L CB -0.643 41.363 42.059 -0.087 0.000 0.906 297 L HN 0.365 nan 8.230 nan 0.000 0.436 298 L N -1.182 120.074 121.223 0.056 0.000 2.046 298 L HA -0.153 4.188 4.340 0.002 0.000 0.208 298 L C 2.664 179.561 176.870 0.044 0.000 1.077 298 L CA 2.127 57.021 54.840 0.090 0.000 0.747 298 L CB -1.061 41.136 42.059 0.229 0.000 0.896 298 L HN 0.413 nan 8.230 nan 0.000 0.432 299 S N -0.852 114.899 115.700 0.084 0.000 2.359 299 S HA -0.280 4.191 4.470 0.002 0.000 0.224 299 S C 1.873 176.476 174.600 0.005 0.000 1.035 299 S CA 1.749 59.985 58.200 0.061 0.000 1.018 299 S CB -0.599 62.668 63.200 0.112 0.000 0.876 299 S HN 0.720 nan 8.310 nan 0.000 0.448 300 D N 0.512 120.903 120.400 -0.014 0.000 2.123 300 D HA -0.043 4.598 4.640 0.002 0.000 0.196 300 D C 2.046 178.301 176.300 -0.075 0.000 0.992 300 D CA 1.473 55.448 54.000 -0.042 0.000 0.833 300 D CB -0.450 40.319 40.800 -0.052 0.000 0.954 300 D HN 0.457 nan 8.370 nan 0.000 0.455 301 A N -0.010 122.754 122.820 -0.094 0.000 1.902 301 A HA -0.105 4.216 4.320 0.002 0.000 0.217 301 A C 2.388 179.854 177.584 -0.197 0.000 1.181 301 A CA 1.195 53.137 52.037 -0.158 0.000 0.623 301 A CB -0.841 18.057 19.000 -0.170 0.000 0.818 301 A HN 0.369 nan 8.150 nan 0.000 0.443 302 L N -1.043 120.083 121.223 -0.163 0.000 2.093 302 L HA -0.227 4.114 4.340 0.002 0.000 0.208 302 L C 2.867 179.713 176.870 -0.040 0.000 1.085 302 L CA 1.415 56.166 54.840 -0.149 0.000 0.755 302 L CB -0.637 41.351 42.059 -0.119 0.000 0.904 302 L HN 0.473 nan 8.230 nan 0.000 0.435 303 Q N -0.444 119.334 119.800 -0.036 0.000 2.084 303 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 303 Q C 2.430 178.389 176.000 -0.069 0.000 0.978 303 Q CA 1.214 57.007 55.803 -0.017 0.000 0.844 303 Q CB -0.020 28.709 28.738 -0.014 0.000 0.898 303 Q HN 0.344 nan 8.270 nan 0.000 0.426 304 R N 0.422 120.852 120.500 -0.117 0.000 2.075 304 R HA -0.098 4.243 4.340 0.002 0.000 0.232 304 R C 2.276 178.414 176.300 -0.270 0.000 1.126 304 R CA 0.688 56.689 56.100 -0.165 0.000 0.963 304 R CB -1.067 29.144 30.300 -0.149 0.000 0.858 304 R HN 0.243 nan 8.270 nan 0.000 0.435 305 L N 0.137 121.168 121.223 -0.320 0.000 1.990 305 L HA -0.188 4.153 4.340 0.002 0.000 0.213 305 L C 1.580 178.083 176.870 -0.611 0.000 1.072 305 L CA 1.861 56.404 54.840 -0.496 0.000 0.755 305 L CB -0.787 40.899 42.059 -0.621 0.000 0.889 305 L HN 0.095 nan 8.230 nan 0.000 0.432 306 Y N -0.267 119.896 120.300 -0.230 0.000 2.529 306 Y HA 0.046 4.597 4.550 0.002 0.000 0.290 306 Y C 2.597 178.411 175.900 -0.143 0.000 1.177 306 Y CA 0.623 58.634 58.100 -0.147 0.000 1.305 306 Y CB -0.687 37.705 38.460 -0.113 0.000 1.047 306 Y HN 0.447 nan 8.280 nan 0.000 0.522 307 S N 0.177 115.808 115.700 -0.114 0.000 2.447 307 S HA 0.004 4.475 4.470 0.002 0.000 0.233 307 S C 1.559 176.077 174.600 -0.137 0.000 1.006 307 S CA 0.303 58.440 58.200 -0.106 0.000 0.957 307 S CB -0.567 62.556 63.200 -0.128 0.000 0.773 307 S HN 0.471 nan 8.310 nan 0.000 0.507 308 A N 0.819 123.477 122.820 -0.269 0.000 2.519 308 A HA -0.044 4.277 4.320 0.002 0.000 0.297 308 A C 0.577 178.069 177.584 -0.155 0.000 1.472 308 A CA 0.884 52.798 52.037 -0.206 0.000 0.739 308 A CB -2.545 16.473 19.000 0.031 0.000 1.096 308 A HN 1.484 nan 8.150 nan 0.000 0.414 309 T N -3.619 110.739 114.554 -0.327 0.000 2.901 309 T HA 0.650 5.001 4.350 0.002 0.000 0.293 309 T C 0.517 175.171 174.700 -0.076 0.000 1.084 309 T CA 0.030 62.061 62.100 -0.116 0.000 1.008 309 T CB 1.409 70.223 68.868 -0.090 0.000 1.170 309 T HN 0.049 nan 8.240 nan 0.000 0.509 310 D N 0.492 120.924 120.400 0.053 0.000 2.126 310 D HA -0.160 4.481 4.640 0.002 0.000 0.190 310 D C 1.749 178.084 176.300 0.058 0.000 1.001 310 D CA 1.750 55.812 54.000 0.104 0.000 0.841 310 D CB -0.114 40.731 40.800 0.074 0.000 0.949 310 D HN 0.834 nan 8.370 nan 0.000 0.446 311 E N 0.385 120.585 120.200 -0.000 0.000 2.051 311 E HA -0.146 4.205 4.350 0.002 0.000 0.192 311 E C 2.216 178.780 176.600 -0.060 0.000 0.991 311 E CA 1.271 57.660 56.400 -0.019 0.000 0.799 311 E CB -0.381 29.301 29.700 -0.029 0.000 0.748 311 E HN 0.274 nan 8.360 nan 0.000 0.449 312 G N 0.182 108.894 108.800 -0.147 0.000 2.529 312 G HA2 -0.298 3.663 3.960 0.002 0.000 0.219 312 G HA3 -0.298 3.663 3.960 0.002 0.000 0.219 312 G C 1.218 175.975 174.900 -0.239 0.000 1.177 312 G CA 1.409 46.352 45.100 -0.262 0.000 0.773 312 G HN 0.307 nan 8.290 nan 0.000 0.573 313 Y N 0.485 120.791 120.300 0.009 0.000 2.200 313 Y HA 0.087 4.638 4.550 0.002 0.000 0.290 313 Y C 2.848 178.795 175.900 0.078 0.000 1.137 313 Y CA 0.556 58.702 58.100 0.077 0.000 1.163 313 Y CB -0.640 37.887 38.460 0.112 0.000 0.988 313 Y HN 0.075 nan 8.280 nan 0.000 0.518 314 L N -1.213 120.111 121.223 0.169 0.000 1.994 314 L HA -0.225 4.115 4.340 0.002 0.000 0.208 314 L C 2.331 179.209 176.870 0.013 0.000 1.071 314 L CA 1.119 56.014 54.840 0.091 0.000 0.745 314 L CB -0.901 41.193 42.059 0.059 0.000 0.892 314 L HN 0.070 nan 8.230 nan 0.000 0.431 315 V N 0.094 119.992 119.914 -0.027 0.000 2.295 315 V HA -0.317 3.804 4.120 0.002 0.000 0.246 315 V C 2.773 178.787 176.094 -0.134 0.000 1.049 315 V CA 1.845 64.100 62.300 -0.074 0.000 1.024 315 V CB -0.924 30.852 31.823 -0.080 0.000 0.648 315 V HN 0.500 nan 8.190 nan 0.000 0.447 316 A N 0.507 123.223 122.820 -0.173 0.000 1.892 316 A HA -0.339 3.982 4.320 0.002 0.000 0.218 316 A C 2.070 179.350 177.584 -0.507 0.000 1.188 316 A CA 2.559 54.400 52.037 -0.328 0.000 0.631 316 A CB -0.943 17.852 19.000 -0.340 0.000 0.822 316 A HN 0.641 nan 8.150 nan 0.000 0.447 317 N N 0.072 118.507 118.700 -0.442 0.000 2.069 317 N HA -0.204 4.537 4.740 0.002 0.000 0.191 317 N C 1.485 176.840 175.510 -0.259 0.000 1.031 317 N CA 2.085 54.871 53.050 -0.441 0.000 0.852 317 N CB -0.392 38.088 38.487 -0.011 0.000 1.018 317 N HN 0.485 nan 8.380 nan 0.000 0.423 318 D N -0.950 119.356 120.400 -0.155 0.000 2.117 318 D HA -0.096 4.545 4.640 0.002 0.000 0.197 318 D C 1.692 177.918 176.300 -0.124 0.000 0.987 318 D CA 0.839 54.775 54.000 -0.106 0.000 0.829 318 D CB -0.145 40.612 40.800 -0.070 0.000 0.961 318 D HN 0.208 nan 8.370 nan 0.000 0.460 319 L N 0.073 121.203 121.223 -0.154 0.000 2.179 319 L HA 0.117 4.458 4.340 0.002 0.000 0.208 319 L C 2.317 179.102 176.870 -0.141 0.000 1.096 319 L CA 0.801 55.560 54.840 -0.135 0.000 0.779 319 L CB -0.715 41.265 42.059 -0.131 0.000 0.922 319 L HN 0.187 nan 8.230 nan 0.000 0.443 320 L N -1.260 119.835 121.223 -0.213 0.000 2.046 320 L HA -0.225 4.116 4.340 0.002 0.000 0.208 320 L C 2.378 179.170 176.870 -0.130 0.000 1.077 320 L CA 1.468 56.194 54.840 -0.190 0.000 0.747 320 L CB -0.805 41.056 42.059 -0.329 0.000 0.896 320 L HN 0.257 nan 8.230 nan 0.000 0.432 321 T N -0.659 113.808 114.554 -0.145 0.000 2.674 321 T HA -0.269 4.082 4.350 0.002 0.000 0.265 321 T C 1.907 176.575 174.700 -0.053 0.000 1.039 321 T CA 1.646 63.694 62.100 -0.087 0.000 1.150 321 T CB -0.138 68.687 68.868 -0.071 0.000 0.864 321 T HN 0.225 nan 8.240 nan 0.000 0.427 322 K N 0.773 121.136 120.400 -0.060 0.000 2.063 322 K HA -0.102 4.219 4.320 0.002 0.000 0.208 322 K C 2.595 179.163 176.600 -0.054 0.000 1.048 322 K CA 1.465 57.722 56.287 -0.051 0.000 0.928 322 K CB -0.203 32.262 32.500 -0.059 0.000 0.713 322 K HN 0.144 nan 8.250 nan 0.000 0.442 323 S N 0.043 115.716 115.700 -0.045 0.000 2.359 323 S HA -0.154 4.316 4.470 0.002 0.000 0.224 323 S C 1.904 176.541 174.600 0.062 0.000 1.035 323 S CA 1.914 60.112 58.200 -0.003 0.000 1.018 323 S CB -0.486 62.765 63.200 0.084 0.000 0.876 323 S HN 0.457 nan 8.310 nan 0.000 0.448 324 T N 2.162 116.732 114.554 0.028 0.000 2.684 324 T HA -0.127 4.223 4.350 0.002 0.000 0.267 324 T C 1.455 176.059 174.700 -0.160 0.000 1.036 324 T CA 1.528 63.588 62.100 -0.068 0.000 1.148 324 T CB -0.610 68.183 68.868 -0.125 0.000 0.863 324 T HN 0.318 nan 8.240 nan 0.000 0.436 325 D N 1.093 121.461 120.400 -0.053 0.000 2.116 325 D HA -0.076 4.565 4.640 0.002 0.000 0.193 325 D C 2.093 178.401 176.300 0.013 0.000 0.998 325 D CA 1.176 55.192 54.000 0.026 0.000 0.836 325 D CB -0.372 40.447 40.800 0.030 0.000 0.951 325 D HN 0.403 nan 8.370 nan 0.000 0.449 326 M N -0.699 118.863 119.600 -0.063 0.000 2.149 326 M HA -0.192 4.289 4.480 0.002 0.000 0.261 326 M C 2.045 178.238 176.300 -0.178 0.000 1.064 326 M CA 1.228 56.440 55.300 -0.145 0.000 1.102 326 M CB -0.356 32.092 32.600 -0.254 0.000 1.369 326 M HN 0.070 nan 8.290 nan 0.000 0.408 327 Y N -0.621 119.663 120.300 -0.026 0.000 2.263 327 Y HA -0.162 4.389 4.550 0.002 0.000 0.292 327 Y C 2.275 178.205 175.900 0.051 0.000 1.130 327 Y CA 1.364 59.459 58.100 -0.009 0.000 1.179 327 Y CB -0.899 37.531 38.460 -0.051 0.000 0.998 327 Y HN 0.323 nan 8.280 nan 0.000 0.532 328 H N -2.129 117.037 119.070 0.160 0.000 2.352 328 H HA -0.188 4.369 4.556 0.002 0.000 0.299 328 H C 2.499 177.863 175.328 0.060 0.000 1.097 328 H CA 1.124 57.228 56.048 0.094 0.000 1.311 328 H CB 0.030 29.834 29.762 0.071 0.000 1.377 328 H HN 0.200 nan 8.280 nan 0.000 0.504 329 S N 0.115 115.910 115.700 0.158 0.000 2.355 329 S HA -0.101 4.370 4.470 0.002 0.000 0.222 329 S C 2.108 176.746 174.600 0.063 0.000 1.031 329 S CA 0.756 59.003 58.200 0.078 0.000 0.993 329 S CB -0.192 63.028 63.200 0.034 0.000 0.859 329 S HN 0.257 nan 8.310 nan 0.000 0.453 330 L N 1.036 122.297 121.223 0.064 0.000 2.046 330 L HA -0.038 4.303 4.340 0.002 0.000 0.208 330 L C 2.312 179.232 176.870 0.084 0.000 1.077 330 L CA 0.991 55.874 54.840 0.070 0.000 0.747 330 L CB -0.463 41.647 42.059 0.084 0.000 0.896 330 L HN 0.323 nan 8.230 nan 0.000 0.432 331 L N -1.113 120.183 121.223 0.122 0.000 2.265 331 L HA -0.164 4.177 4.340 0.002 0.000 0.215 331 L C 2.425 179.327 176.870 0.052 0.000 1.117 331 L CA 0.675 55.572 54.840 0.094 0.000 0.782 331 L CB -0.388 41.751 42.059 0.134 0.000 0.914 331 L HN 0.176 nan 8.230 nan 0.000 0.441 332 S N -0.351 115.380 115.700 0.052 0.000 2.515 332 S HA 0.115 4.586 4.470 0.002 0.000 0.231 332 S C 1.025 175.629 174.600 0.007 0.000 0.987 332 S CA 0.353 58.569 58.200 0.025 0.000 0.936 332 S CB -0.177 63.039 63.200 0.026 0.000 0.766 332 S HN 0.401 nan 8.310 nan 0.000 0.528 333 A N 2.682 125.504 122.820 0.003 0.000 2.287 333 A HA 0.330 4.651 4.320 0.002 0.000 0.273 333 A C 1.079 178.638 177.584 -0.042 0.000 1.091 333 A CA -0.636 51.392 52.037 -0.015 0.000 0.817 333 A CB 0.242 19.234 19.000 -0.013 0.000 1.069 333 A HN 0.459 nan 8.150 nan 0.000 0.492 334 N N 0.055 118.727 118.700 -0.048 0.000 2.571 334 N HA -0.052 4.689 4.740 0.002 0.000 0.189 334 N C -0.024 175.414 175.510 -0.121 0.000 1.154 334 N CA 0.953 53.966 53.050 -0.063 0.000 0.907 334 N CB 0.017 38.480 38.487 -0.040 0.000 0.977 334 N HN 0.433 nan 8.380 nan 0.000 0.449 335 T N 0.514 114.952 114.554 -0.194 0.000 2.937 335 T HA 0.504 4.855 4.350 0.002 0.000 0.297 335 T C -1.495 172.839 174.700 -0.611 0.000 0.991 335 T CA -0.471 61.371 62.100 -0.429 0.000 0.990 335 T CB 1.283 69.857 68.868 -0.490 0.000 0.991 335 T HN -0.156 nan 8.240 nan 0.000 0.440 336 V N 4.336 123.920 119.914 -0.551 0.000 3.012 336 V HA 0.533 4.654 4.120 0.002 0.000 0.307 336 V C -1.051 174.931 176.094 -0.188 0.000 1.166 336 V CA -0.890 61.230 62.300 -0.301 0.000 0.974 336 V CB 2.571 34.328 31.823 -0.110 0.000 1.040 336 V HN 0.830 nan 8.190 nan 0.000 0.428 337 D N 1.342 121.761 120.400 0.031 0.000 2.272 337 D HA 0.369 5.010 4.640 0.002 0.000 0.247 337 D C 0.379 176.709 176.300 0.050 0.000 0.990 337 D CA -0.371 53.708 54.000 0.131 0.000 0.931 337 D CB 2.085 43.046 40.800 0.269 0.000 1.195 337 D HN 0.539 nan 8.370 nan 0.000 0.477 338 D N 0.995 121.410 120.400 0.025 0.000 2.097 338 D HA -0.097 4.544 4.640 0.002 0.000 0.195 338 D C -1.034 175.226 176.300 -0.066 0.000 0.989 338 D CA 1.188 55.172 54.000 -0.027 0.000 0.827 338 D CB -1.041 39.740 40.800 -0.032 0.000 0.966 338 D HN 0.336 nan 8.370 nan 0.000 0.456 339 P HA -0.126 nan 4.420 nan 0.000 0.216 339 P C 1.658 178.931 177.300 -0.045 0.000 1.150 339 P CA 0.712 63.771 63.100 -0.069 0.000 0.843 339 P CB 0.020 31.693 31.700 -0.045 0.000 0.787 340 L N -0.437 120.805 121.223 0.032 0.000 2.093 340 L HA -0.060 4.281 4.340 0.002 0.000 0.208 340 L C 2.210 179.085 176.870 0.008 0.000 1.085 340 L CA 1.732 56.628 54.840 0.093 0.000 0.755 340 L CB -0.835 41.332 42.059 0.180 0.000 0.904 340 L HN -0.211 nan 8.230 nan 0.000 0.435 341 R N -0.391 120.093 120.500 -0.026 0.000 2.092 341 R HA -0.129 4.212 4.340 0.002 0.000 0.231 341 R C 2.133 178.360 176.300 -0.121 0.000 1.119 341 R CA 1.651 57.719 56.100 -0.055 0.000 0.970 341 R CB -0.297 29.983 30.300 -0.034 0.000 0.864 341 R HN 0.520 nan 8.270 nan 0.000 0.440 342 E N 0.229 120.309 120.200 -0.199 0.000 2.072 342 E HA -0.118 4.233 4.350 0.002 0.000 0.191 342 E C 1.672 178.160 176.600 -0.187 0.000 0.985 342 E CA 0.820 57.046 56.400 -0.290 0.000 0.801 342 E CB 0.021 29.440 29.700 -0.468 0.000 0.750 342 E HN 0.281 nan 8.360 nan 0.000 0.452 343 N N 0.777 119.350 118.700 -0.212 0.000 2.188 343 N HA -0.109 4.632 4.740 0.002 0.000 0.184 343 N C 1.662 176.767 175.510 -0.674 0.000 1.018 343 N CA 1.215 54.087 53.050 -0.298 0.000 0.858 343 N CB -0.338 38.062 38.487 -0.145 0.000 0.989 343 N HN 0.120 nan 8.380 nan 0.000 0.426 344 A N 1.026 123.367 122.820 -0.799 0.000 1.902 344 A HA 0.011 4.332 4.320 0.002 0.000 0.217 344 A C 2.354 179.742 177.584 -0.326 0.000 1.181 344 A CA 1.948 53.512 52.037 -0.788 0.000 0.623 344 A CB -0.906 17.899 19.000 -0.325 0.000 0.818 344 A HN 0.303 nan 8.150 nan 0.000 0.443 345 A N -0.648 122.069 122.820 -0.172 0.000 1.940 345 A HA -0.056 4.265 4.320 0.002 0.000 0.219 345 A C 2.138 179.702 177.584 -0.033 0.000 1.176 345 A CA 1.803 53.807 52.037 -0.055 0.000 0.631 345 A CB -0.562 18.462 19.000 0.041 0.000 0.814 345 A HN 0.670 nan 8.150 nan 0.000 0.446 346 L N -0.404 120.794 121.223 -0.040 0.000 2.027 346 L HA 0.029 4.370 4.340 0.002 0.000 0.206 346 L C 2.695 179.638 176.870 0.123 0.000 1.074 346 L CA 2.094 56.976 54.840 0.071 0.000 0.745 346 L CB -0.893 41.205 42.059 0.065 0.000 0.898 346 L HN 0.329 nan 8.230 nan 0.000 0.433 347 A N -0.372 122.437 122.820 -0.018 0.000 1.883 347 A HA -0.217 4.104 4.320 0.002 0.000 0.217 347 A C 2.290 179.905 177.584 0.052 0.000 1.186 347 A CA 2.248 54.304 52.037 0.031 0.000 0.624 347 A CB -1.023 17.982 19.000 0.009 0.000 0.822 347 A HN 0.504 nan 8.150 nan 0.000 0.444 348 L N -1.049 120.172 121.223 -0.004 0.000 2.093 348 L HA -0.213 4.128 4.340 0.002 0.000 0.208 348 L C 2.837 179.743 176.870 0.060 0.000 1.085 348 L CA 1.261 56.111 54.840 0.017 0.000 0.755 348 L CB -0.638 41.422 42.059 0.002 0.000 0.904 348 L HN 0.702 nan 8.230 nan 0.000 0.435 349 C N -0.512 118.827 119.300 0.066 0.000 2.413 349 C HA -0.259 4.202 4.460 0.002 0.000 0.277 349 C C 2.752 177.812 174.990 0.116 0.000 1.228 349 C CA 0.926 59.989 59.018 0.075 0.000 1.731 349 C CB -0.725 27.024 27.740 0.015 0.000 2.042 349 C HN 0.498 nan 8.230 nan 0.000 0.468 350 Y N 1.238 121.650 120.300 0.186 0.000 2.263 350 Y HA -0.058 4.493 4.550 0.002 0.000 0.292 350 Y C 2.873 178.854 175.900 0.136 0.000 1.130 350 Y CA 2.091 60.309 58.100 0.197 0.000 1.179 350 Y CB -0.789 37.761 38.460 0.149 0.000 0.998 350 Y HN 0.332 nan 8.280 nan 0.000 0.532 351 T N -0.869 113.781 114.554 0.160 0.000 2.746 351 T HA -0.173 4.178 4.350 0.002 0.000 0.267 351 T C 2.271 176.995 174.700 0.039 0.000 1.039 351 T CA 1.343 63.455 62.100 0.021 0.000 1.142 351 T CB -0.931 67.912 68.868 -0.042 0.000 0.866 351 T HN 0.567 nan 8.240 nan 0.000 0.444 352 G N 1.350 110.214 108.800 0.106 0.000 2.446 352 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 352 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 352 G C 1.528 176.486 174.900 0.097 0.000 1.168 352 G CA 0.742 45.926 45.100 0.140 0.000 0.771 352 G HN 0.447 nan 8.290 nan 0.000 0.551 353 I N -0.504 120.040 120.570 -0.043 0.000 2.394 353 I HA 0.072 4.243 4.170 0.002 0.000 0.251 353 I C 2.317 178.385 176.117 -0.081 0.000 1.136 353 I CA 0.511 61.655 61.300 -0.261 0.000 1.425 353 I CB -0.241 37.137 38.000 -1.037 0.000 1.079 353 I HN 0.122 nan 8.210 nan 0.000 0.425 354 F N 0.261 120.163 119.950 -0.079 0.000 2.134 354 F HA -0.251 4.277 4.527 0.002 0.000 0.299 354 F C 2.634 178.407 175.800 -0.044 0.000 1.097 354 F CA 1.769 59.730 58.000 -0.065 0.000 1.264 354 F CB -0.768 38.184 39.000 -0.081 0.000 1.001 354 F HN 0.201 nan 8.300 nan 0.000 0.479 355 H N -1.205 117.956 119.070 0.152 0.000 2.319 355 H HA -0.239 4.318 4.556 0.002 0.000 0.297 355 H C 2.219 177.560 175.328 0.021 0.000 1.097 355 H CA 1.870 57.963 56.048 0.075 0.000 1.285 355 H CB -1.196 28.612 29.762 0.077 0.000 1.368 355 H HN 0.328 nan 8.280 nan 0.000 0.495 356 F N 1.420 121.373 119.950 0.004 0.000 2.126 356 F HA -0.203 4.325 4.527 0.001 0.000 0.299 356 F C 2.250 177.932 175.800 -0.196 0.000 1.096 356 F CA 1.191 59.126 58.000 -0.109 0.000 1.255 356 F CB -0.597 38.299 39.000 -0.174 0.000 0.997 356 F HN -0.004 nan 8.300 nan 0.000 0.479 357 L N 0.132 121.142 121.223 -0.355 0.000 2.217 357 L HA -0.137 4.204 4.340 0.002 0.000 0.211 357 L C 1.985 178.626 176.870 -0.381 0.000 1.107 357 L CA 1.226 55.728 54.840 -0.562 0.000 0.783 357 L CB -0.625 41.057 42.059 -0.628 0.000 0.919 357 L HN 0.031 nan 8.230 nan 0.000 0.442 358 K N -0.087 120.192 120.400 -0.202 0.000 2.505 358 K HA 0.002 4.323 4.320 0.002 0.000 0.192 358 K C 0.331 176.864 176.600 -0.112 0.000 1.025 358 K CA 0.042 56.267 56.287 -0.103 0.000 1.086 358 K CB -0.027 32.486 32.500 0.021 0.000 0.840 358 K HN 0.131 nan 8.250 nan 0.000 0.514 359 N N 1.174 119.752 118.700 -0.204 0.000 2.850 359 N HA -0.178 4.563 4.740 0.002 0.000 0.249 359 N C -0.835 174.620 175.510 -0.092 0.000 1.060 359 N CA 0.449 53.386 53.050 -0.188 0.000 0.825 359 N CB -1.465 36.930 38.487 -0.153 0.000 1.132 359 N HN 0.199 nan 8.380 nan 0.000 0.564 360 N N 1.343 120.018 118.700 -0.041 0.000 3.188 360 N HA 0.181 4.922 4.740 0.002 0.000 0.279 360 N C 1.325 176.825 175.510 -0.017 0.000 1.213 360 N CA -0.172 52.860 53.050 -0.031 0.000 1.138 360 N CB -0.286 38.181 38.487 -0.033 0.000 1.417 360 N HN 0.371 nan 8.380 nan 0.000 0.526 361 L N 0.904 122.127 121.223 0.000 0.000 2.131 361 L HA -0.159 4.182 4.340 0.002 0.000 0.210 361 L C 1.887 178.772 176.870 0.025 0.000 1.092 361 L CA 0.913 55.787 54.840 0.056 0.000 0.759 361 L CB -0.171 41.929 42.059 0.069 0.000 0.903 361 L HN 0.456 nan 8.230 nan 0.000 0.435 362 L N -0.446 120.766 121.223 -0.019 0.000 2.027 362 L HA -0.212 4.129 4.340 0.002 0.000 0.206 362 L C 2.211 179.043 176.870 -0.064 0.000 1.074 362 L CA 1.226 56.047 54.840 -0.033 0.000 0.745 362 L CB -0.483 41.551 42.059 -0.042 0.000 0.898 362 L HN 0.266 nan 8.230 nan 0.000 0.433 363 D N -0.129 120.176 120.400 -0.158 0.000 2.224 363 D HA -0.075 4.566 4.640 0.002 0.000 0.205 363 D C 2.178 178.423 176.300 -0.093 0.000 0.965 363 D CA 1.168 55.014 54.000 -0.256 0.000 0.852 363 D CB 0.048 40.418 40.800 -0.716 0.000 0.947 363 D HN 0.286 nan 8.370 nan 0.000 0.494 364 A N 1.673 124.492 122.820 -0.003 0.000 1.859 364 A HA -0.310 4.011 4.320 0.002 0.000 0.217 364 A C 2.235 179.849 177.584 0.050 0.000 1.198 364 A CA 2.655 54.764 52.037 0.121 0.000 0.629 364 A CB -0.962 18.138 19.000 0.167 0.000 0.830 364 A HN 0.325 nan 8.150 nan 0.000 0.446 365 Q N -0.227 119.583 119.800 0.016 0.000 2.096 365 Q HA -0.133 4.207 4.340 0.002 0.000 0.204 365 Q C 1.672 177.663 176.000 -0.015 0.000 0.982 365 Q CA 2.534 58.327 55.803 -0.017 0.000 0.850 365 Q CB -1.015 27.720 28.738 -0.005 0.000 0.901 365 Q HN 0.275 nan 8.270 nan 0.000 0.422 366 V N 1.049 120.964 119.914 0.002 0.000 2.255 366 V HA -0.263 3.858 4.120 0.002 0.000 0.247 366 V C 2.462 178.576 176.094 0.032 0.000 1.051 366 V CA 2.012 64.319 62.300 0.011 0.000 1.018 366 V CB -0.645 31.184 31.823 0.010 0.000 0.641 366 V HN 0.443 nan 8.190 nan 0.000 0.445 367 L N -0.950 120.316 121.223 0.070 0.000 2.093 367 L HA -0.163 4.178 4.340 0.002 0.000 0.208 367 L C 2.414 179.307 176.870 0.037 0.000 1.085 367 L CA 1.387 56.286 54.840 0.097 0.000 0.755 367 L CB -0.543 41.614 42.059 0.163 0.000 0.904 367 L HN 0.315 nan 8.230 nan 0.000 0.435 368 L N -0.575 120.647 121.223 -0.001 0.000 2.093 368 L HA -0.219 4.122 4.340 0.002 0.000 0.208 368 L C 2.683 179.469 176.870 -0.139 0.000 1.085 368 L CA 0.951 55.746 54.840 -0.076 0.000 0.755 368 L CB -0.341 41.652 42.059 -0.111 0.000 0.904 368 L HN 0.267 nan 8.230 nan 0.000 0.435 369 Q N 0.363 120.097 119.800 -0.110 0.000 2.119 369 Q HA -0.241 4.100 4.340 0.002 0.000 0.201 369 Q C 2.007 177.967 176.000 -0.066 0.000 0.972 369 Q CA 1.662 57.400 55.803 -0.108 0.000 0.847 369 Q CB -0.064 28.637 28.738 -0.061 0.000 0.903 369 Q HN 0.419 nan 8.270 nan 0.000 0.433 370 E N -0.959 119.229 120.200 -0.020 0.000 2.077 370 E HA -0.199 4.152 4.350 0.002 0.000 0.193 370 E C 1.857 178.454 176.600 -0.004 0.000 0.989 370 E CA 1.188 57.595 56.400 0.013 0.000 0.800 370 E CB -0.245 29.500 29.700 0.074 0.000 0.746 370 E HN 0.363 nan 8.360 nan 0.000 0.452 371 S N 0.201 115.886 115.700 -0.026 0.000 2.353 371 S HA -0.180 4.290 4.470 0.002 0.000 0.222 371 S C 1.996 176.544 174.600 -0.087 0.000 1.035 371 S CA 1.469 59.640 58.200 -0.049 0.000 1.025 371 S CB -0.326 62.835 63.200 -0.065 0.000 0.902 371 S HN 0.335 nan 8.310 nan 0.000 0.440 372 I N 1.878 122.351 120.570 -0.163 0.000 2.226 372 I HA -0.189 3.982 4.170 0.002 0.000 0.245 372 I C 2.171 178.231 176.117 -0.095 0.000 1.100 372 I CA 1.123 62.294 61.300 -0.214 0.000 1.374 372 I CB -0.523 37.239 38.000 -0.396 0.000 1.057 372 I HN 0.310 nan 8.210 nan 0.000 0.413 373 N N 0.878 119.543 118.700 -0.058 0.000 2.166 373 N HA -0.128 4.613 4.740 0.002 0.000 0.186 373 N C 1.902 177.418 175.510 0.009 0.000 1.019 373 N CA 1.273 54.315 53.050 -0.014 0.000 0.856 373 N CB -0.375 38.110 38.487 -0.004 0.000 0.993 373 N HN 0.325 nan 8.380 nan 0.000 0.426 374 L N -1.305 119.927 121.223 0.016 0.000 2.044 374 L HA -0.063 4.278 4.340 0.002 0.000 0.205 374 L C 0.323 177.258 176.870 0.108 0.000 1.075 374 L CA 1.018 55.886 54.840 0.046 0.000 0.747 374 L CB -0.068 42.013 42.059 0.036 0.000 0.903 374 L HN 0.264 nan 8.230 nan 0.000 0.435 375 H N -1.286 117.759 119.070 -0.042 0.000 3.139 375 H HA 0.260 4.817 4.556 0.002 0.000 0.322 375 H C -2.748 172.551 175.328 -0.049 0.000 1.345 375 H CA -1.875 54.149 56.048 -0.040 0.000 1.637 375 H CB 0.830 30.563 29.762 -0.048 0.000 1.959 375 H HN -0.205 nan 8.280 nan 0.000 0.586 376 P HA 0.156 nan 4.420 nan 0.000 0.267 376 P C -0.538 176.555 177.300 -0.345 0.000 1.205 376 P CA 0.197 63.171 63.100 -0.210 0.000 0.765 376 P CB 0.875 32.567 31.700 -0.013 0.000 0.828 377 T N 0.152 114.563 114.554 -0.239 0.000 2.906 377 T HA 0.471 4.822 4.350 0.002 0.000 0.295 377 T C -2.406 172.190 174.700 -0.172 0.000 1.075 377 T CA -2.485 59.468 62.100 -0.246 0.000 1.005 377 T CB 1.681 70.404 68.868 -0.240 0.000 1.136 377 T HN -0.069 nan 8.240 nan 0.000 0.498 378 P HA -0.118 nan 4.420 nan 0.000 0.214 378 P C 1.413 178.542 177.300 -0.285 0.000 1.163 378 P CA 1.151 64.112 63.100 -0.231 0.000 0.889 378 P CB -0.028 31.451 31.700 -0.368 0.000 0.790 379 N N -0.976 117.492 118.700 -0.387 0.000 2.104 379 N HA -0.115 4.626 4.740 0.002 0.000 0.190 379 N C 1.800 176.811 175.510 -0.830 0.000 1.024 379 N CA 1.425 54.059 53.050 -0.692 0.000 0.853 379 N CB -1.049 37.003 38.487 -0.724 0.000 1.008 379 N HN 0.093 nan 8.380 nan 0.000 0.424 380 S N -0.033 115.374 115.700 -0.489 0.000 2.382 380 S HA -0.062 4.409 4.470 0.002 0.000 0.228 380 S C 1.790 176.094 174.600 -0.493 0.000 1.027 380 S CA 0.677 58.635 58.200 -0.403 0.000 0.991 380 S CB -0.335 62.657 63.200 -0.346 0.000 0.823 380 S HN 0.403 nan 8.310 nan 0.000 0.469 381 Y N 1.329 121.370 120.300 -0.432 0.000 2.200 381 Y HA -0.026 4.525 4.550 0.001 0.000 0.290 381 Y C 2.111 177.583 175.900 -0.714 0.000 1.137 381 Y CA 0.912 58.704 58.100 -0.514 0.000 1.163 381 Y CB -0.306 37.912 38.460 -0.404 0.000 0.988 381 Y HN 0.189 nan 8.280 nan 0.000 0.518 382 I N -1.337 118.872 120.570 -0.601 0.000 2.179 382 I HA -0.326 3.845 4.170 0.002 0.000 0.242 382 I C 1.783 177.663 176.117 -0.395 0.000 1.088 382 I CA 1.158 62.013 61.300 -0.743 0.000 1.357 382 I CB -0.383 37.310 38.000 -0.512 0.000 1.051 382 I HN 0.115 nan 8.210 nan 0.000 0.409 383 F N 0.034 119.755 119.950 -0.382 0.000 2.186 383 F HA -0.165 4.363 4.527 0.002 0.000 0.299 383 F C 2.236 177.771 175.800 -0.443 0.000 1.090 383 F CA 0.916 58.699 58.000 -0.363 0.000 1.307 383 F CB -1.118 37.710 39.000 -0.286 0.000 1.019 383 F HN 0.035 nan 8.300 nan 0.000 0.489 384 L N 0.522 121.545 121.223 -0.333 0.000 2.027 384 L HA -0.049 4.292 4.340 0.002 0.000 0.206 384 L C 2.426 178.959 176.870 -0.562 0.000 1.074 384 L CA 1.946 56.478 54.840 -0.514 0.000 0.745 384 L CB -1.277 40.310 42.059 -0.786 0.000 0.898 384 L HN 0.037 nan 8.230 nan 0.000 0.433 385 A N -0.425 122.026 122.820 -0.615 0.000 1.883 385 A HA -0.204 4.117 4.320 0.002 0.000 0.217 385 A C 2.281 179.903 177.584 0.064 0.000 1.186 385 A CA 2.095 53.990 52.037 -0.237 0.000 0.624 385 A CB -0.978 17.810 19.000 -0.353 0.000 0.822 385 A HN 0.503 nan 8.150 nan 0.000 0.444 386 L N -0.097 121.113 121.223 -0.021 0.000 2.012 386 L HA -0.223 4.118 4.340 0.002 0.000 0.210 386 L C 3.102 179.887 176.870 -0.143 0.000 1.073 386 L CA 2.049 56.874 54.840 -0.025 0.000 0.748 386 L CB -1.162 40.739 42.059 -0.263 0.000 0.891 386 L HN 0.709 nan 8.230 nan 0.000 0.431 387 T N -1.797 112.583 114.554 -0.289 0.000 2.746 387 T HA -0.178 4.173 4.350 0.002 0.000 0.267 387 T C 1.629 176.405 174.700 0.128 0.000 1.039 387 T CA 1.099 63.178 62.100 -0.035 0.000 1.142 387 T CB -0.479 68.365 68.868 -0.040 0.000 0.866 387 T HN 0.283 nan 8.240 nan 0.000 0.444 388 L N 1.138 122.420 121.223 0.098 0.000 2.592 388 L HA 0.457 4.798 4.340 0.002 0.000 0.227 388 L C 1.533 178.536 176.870 0.222 0.000 1.127 388 L CA -0.494 54.449 54.840 0.172 0.000 0.884 388 L CB -0.613 41.581 42.059 0.224 0.000 1.065 388 L HN 0.320 nan 8.230 nan 0.000 0.457 389 A N 0.664 123.633 122.820 0.248 0.000 2.531 389 A HA 0.176 4.497 4.320 0.002 0.000 0.236 389 A C -0.254 177.399 177.584 0.116 0.000 1.062 389 A CA 0.395 52.580 52.037 0.246 0.000 0.760 389 A CB 0.113 19.256 19.000 0.238 0.000 0.995 389 A HN 0.258 nan 8.150 nan 0.000 0.501 390 D N 0.699 121.125 120.400 0.042 0.000 2.452 390 D HA 0.168 4.809 4.640 0.002 0.000 0.226 390 D C 0.898 177.164 176.300 -0.056 0.000 1.366 390 D CA -0.529 53.474 54.000 0.006 0.000 0.986 390 D CB 0.773 41.597 40.800 0.040 0.000 1.420 390 D HN 0.415 nan 8.370 nan 0.000 0.583 391 K N 2.270 122.615 120.400 -0.092 0.000 2.211 391 K HA -0.124 4.197 4.320 0.002 0.000 0.204 391 K C 0.708 177.283 176.600 -0.041 0.000 1.047 391 K CA 0.847 57.069 56.287 -0.107 0.000 0.935 391 K CB 0.207 32.646 32.500 -0.101 0.000 0.728 391 K HN 0.352 nan 8.250 nan 0.000 0.452 392 E N 1.089 121.278 120.200 -0.018 0.000 2.358 392 E HA -0.026 4.325 4.350 0.002 0.000 0.195 392 E C -0.097 176.511 176.600 0.013 0.000 1.010 392 E CA 0.416 56.816 56.400 -0.000 0.000 0.856 392 E CB -0.160 29.541 29.700 0.002 0.000 0.795 392 E HN 0.416 nan 8.360 nan 0.000 0.504 393 N N -0.611 118.100 118.700 0.019 0.000 2.533 393 N HA 0.109 4.850 4.740 0.002 0.000 0.289 393 N C -0.217 175.325 175.510 0.054 0.000 1.103 393 N CA -0.006 53.067 53.050 0.038 0.000 0.877 393 N CB 1.288 39.799 38.487 0.039 0.000 1.419 393 N HN -0.291 nan 8.380 nan 0.000 0.517 394 S N 1.911 117.664 115.700 0.088 0.000 2.503 394 S HA 0.068 4.539 4.470 0.002 0.000 0.215 394 S C 1.432 176.188 174.600 0.260 0.000 1.003 394 S CA 0.360 58.645 58.200 0.143 0.000 0.910 394 S CB 0.123 63.486 63.200 0.271 0.000 0.790 394 S HN 0.623 nan 8.310 nan 0.000 0.514 395 Q N 0.755 120.668 119.800 0.190 0.000 2.030 395 Q HA -0.143 4.198 4.340 0.002 0.000 0.204 395 Q C 1.834 177.909 176.000 0.124 0.000 0.986 395 Q CA 1.456 57.364 55.803 0.175 0.000 0.843 395 Q CB -0.061 28.725 28.738 0.081 0.000 0.904 395 Q HN 0.355 nan 8.270 nan 0.000 0.420 396 E N 0.099 120.320 120.200 0.036 0.000 2.077 396 E HA -0.173 4.178 4.350 0.002 0.000 0.193 396 E C 1.644 178.166 176.600 -0.130 0.000 0.989 396 E CA 0.732 57.035 56.400 -0.162 0.000 0.800 396 E CB -0.413 29.197 29.700 -0.150 0.000 0.746 396 E HN 0.330 nan 8.360 nan 0.000 0.452 397 F N 0.617 120.554 119.950 -0.021 0.000 2.065 397 F HA -0.266 4.262 4.527 0.002 0.000 0.298 397 F C 2.013 177.822 175.800 0.015 0.000 1.112 397 F CA 1.498 59.526 58.000 0.048 0.000 1.212 397 F CB -0.266 38.612 39.000 -0.203 0.000 0.975 397 F HN -0.077 nan 8.300 nan 0.000 0.476 398 F N 0.777 120.910 119.950 0.304 0.000 2.234 398 F HA -0.076 4.452 4.527 0.001 0.000 0.299 398 F C 2.440 178.272 175.800 0.053 0.000 1.087 398 F CA 1.528 59.623 58.000 0.160 0.000 1.340 398 F CB -0.831 38.231 39.000 0.105 0.000 1.031 398 F HN -0.051 nan 8.300 nan 0.000 0.500 399 K N -0.047 120.412 120.400 0.100 0.000 2.025 399 K HA -0.180 4.141 4.320 0.002 0.000 0.207 399 K C 2.064 178.614 176.600 -0.082 0.000 1.049 399 K CA 1.578 57.834 56.287 -0.051 0.000 0.933 399 K CB -0.383 32.009 32.500 -0.179 0.000 0.714 399 K HN 0.095 nan 8.250 nan 0.000 0.438 400 F N 0.449 120.364 119.950 -0.058 0.000 2.126 400 F HA -0.121 4.407 4.527 0.001 0.000 0.299 400 F C 2.043 177.636 175.800 -0.345 0.000 1.096 400 F CA 1.173 59.078 58.000 -0.159 0.000 1.255 400 F CB -0.726 38.178 39.000 -0.160 0.000 0.997 400 F HN -0.008 nan 8.300 nan 0.000 0.479 401 F N -0.142 119.731 119.950 -0.128 0.000 2.259 401 F HA -0.148 4.380 4.527 0.001 0.000 0.298 401 F C 2.555 178.272 175.800 -0.139 0.000 1.088 401 F CA 1.263 59.148 58.000 -0.192 0.000 1.358 401 F CB -0.610 38.227 39.000 -0.271 0.000 1.040 401 F HN -0.010 nan 8.300 nan 0.000 0.505 402 Q N 0.536 120.373 119.800 0.062 0.000 2.119 402 Q HA -0.192 4.149 4.340 0.002 0.000 0.201 402 Q C 2.023 177.948 176.000 -0.125 0.000 0.972 402 Q CA 1.388 57.192 55.803 0.002 0.000 0.847 402 Q CB 0.042 28.799 28.738 0.031 0.000 0.903 402 Q HN 0.336 nan 8.270 nan 0.000 0.433 403 K N -0.129 120.122 120.400 -0.249 0.000 2.097 403 K HA -0.112 4.209 4.320 0.002 0.000 0.206 403 K C 2.050 178.355 176.600 -0.493 0.000 1.049 403 K CA 1.032 57.047 56.287 -0.454 0.000 0.933 403 K CB -0.143 31.875 32.500 -0.804 0.000 0.717 403 K HN 0.197 nan 8.250 nan 0.000 0.442 404 A N 1.149 123.695 122.820 -0.455 0.000 1.902 404 A HA -0.138 4.183 4.320 0.002 0.000 0.217 404 A C 2.393 179.865 177.584 -0.186 0.000 1.181 404 A CA 1.468 53.325 52.037 -0.300 0.000 0.623 404 A CB -0.719 18.085 19.000 -0.327 0.000 0.818 404 A HN 0.069 nan 8.150 nan 0.000 0.443 405 V N 0.756 120.571 119.914 -0.164 0.000 2.295 405 V HA -0.273 3.848 4.120 0.002 0.000 0.246 405 V C 2.211 178.269 176.094 -0.059 0.000 1.049 405 V CA 2.352 64.579 62.300 -0.122 0.000 1.024 405 V CB -0.889 30.874 31.823 -0.101 0.000 0.648 405 V HN 0.520 nan 8.190 nan 0.000 0.447 406 D N 0.205 120.553 120.400 -0.085 0.000 2.133 406 D HA -0.187 4.454 4.640 0.002 0.000 0.195 406 D C 2.073 178.334 176.300 -0.065 0.000 0.997 406 D CA 1.388 55.347 54.000 -0.068 0.000 0.840 406 D CB -0.369 40.370 40.800 -0.100 0.000 0.947 406 D HN 0.363 nan 8.370 nan 0.000 0.452 407 L N -0.647 120.513 121.223 -0.104 0.000 2.131 407 L HA -0.097 4.244 4.340 0.002 0.000 0.210 407 L C 0.772 177.607 176.870 -0.058 0.000 1.092 407 L CA 0.707 55.492 54.840 -0.091 0.000 0.759 407 L CB -0.135 41.850 42.059 -0.124 0.000 0.903 407 L HN -0.005 nan 8.230 nan 0.000 0.435 408 N N -1.492 117.192 118.700 -0.027 0.000 2.932 408 N HA 0.141 4.882 4.740 0.002 0.000 0.242 408 N C -2.374 173.210 175.510 0.123 0.000 1.351 408 N CA -1.122 51.950 53.050 0.037 0.000 0.785 408 N CB 1.091 39.583 38.487 0.009 0.000 1.501 408 N HN -0.285 nan 8.380 nan 0.000 0.584 409 P HA 0.022 nan 4.420 nan 0.000 0.231 409 P C 0.114 177.632 177.300 0.364 0.000 1.158 409 P CA 0.954 64.202 63.100 0.248 0.000 0.763 409 P CB 0.389 32.200 31.700 0.186 0.000 0.805 410 E N -2.122 118.245 120.200 0.280 0.000 2.501 410 E HA 0.055 4.406 4.350 0.002 0.000 0.200 410 E C -0.327 176.474 176.600 0.336 0.000 1.016 410 E CA -0.396 56.161 56.400 0.262 0.000 0.921 410 E CB -0.270 29.529 29.700 0.165 0.000 1.034 410 E HN 0.317 nan 8.360 nan 0.000 0.468 411 Y N 2.639 123.078 120.300 0.233 0.000 2.425 411 Y HA 0.228 4.779 4.550 0.001 0.000 0.347 411 Y C -1.722 174.342 175.900 0.273 0.000 0.976 411 Y CA -2.917 55.296 58.100 0.189 0.000 1.190 411 Y CB 1.130 39.655 38.460 0.107 0.000 1.136 411 Y HN -0.120 nan 8.280 nan 0.000 0.517 412 P HA -0.059 nan 4.420 nan 0.000 0.216 412 P C -1.516 175.740 177.300 -0.073 0.000 1.153 412 P CA 1.445 64.551 63.100 0.011 0.000 0.848 412 P CB -0.453 31.217 31.700 -0.050 0.000 0.787 413 P HA -0.106 nan 4.420 nan 0.000 0.220 413 P C 1.423 178.788 177.300 0.109 0.000 1.148 413 P CA 1.714 64.637 63.100 -0.294 0.000 0.803 413 P CB -0.717 30.627 31.700 -0.594 0.000 0.782 414 T N -1.450 113.162 114.554 0.096 0.000 2.684 414 T HA -0.204 4.147 4.350 0.002 0.000 0.267 414 T C 1.410 176.209 174.700 0.166 0.000 1.036 414 T CA 1.597 63.807 62.100 0.183 0.000 1.148 414 T CB -1.121 67.726 68.868 -0.036 0.000 0.863 414 T HN 0.125 nan 8.240 nan 0.000 0.436 415 Y N -0.325 120.104 120.300 0.215 0.000 2.242 415 Y HA -0.026 4.525 4.550 0.002 0.000 0.291 415 Y C 2.286 178.254 175.900 0.114 0.000 1.137 415 Y CA 0.598 58.787 58.100 0.149 0.000 1.181 415 Y CB -0.694 37.832 38.460 0.110 0.000 0.989 415 Y HN 0.263 nan 8.280 nan 0.000 0.527 416 Y N 0.012 120.418 120.300 0.177 0.000 2.145 416 Y HA -0.289 4.262 4.550 0.002 0.000 0.286 416 Y C 2.644 178.573 175.900 0.048 0.000 1.145 416 Y CA 1.932 60.117 58.100 0.142 0.000 1.148 416 Y CB -0.590 37.862 38.460 -0.013 0.000 0.981 416 Y HN 0.143 nan 8.280 nan 0.000 0.507 417 H N -0.115 119.081 119.070 0.209 0.000 2.353 417 H HA -0.143 4.413 4.556 0.002 0.000 0.300 417 H C 2.427 177.595 175.328 -0.267 0.000 1.090 417 H CA 1.850 57.939 56.048 0.069 0.000 1.327 417 H CB -0.247 29.718 29.762 0.338 0.000 1.383 417 H HN 0.343 nan 8.280 nan 0.000 0.508 418 R N 0.504 120.784 120.500 -0.366 0.000 2.081 418 R HA -0.105 4.236 4.340 0.002 0.000 0.235 418 R C 2.621 178.787 176.300 -0.223 0.000 1.131 418 R CA 1.272 57.063 56.100 -0.514 0.000 0.960 418 R CB -0.439 29.678 30.300 -0.304 0.000 0.856 418 R HN 0.315 nan 8.270 nan 0.000 0.436 419 G N 0.333 108.976 108.800 -0.262 0.000 2.469 419 G HA2 -0.313 3.648 3.960 0.002 0.000 0.219 419 G HA3 -0.313 3.648 3.960 0.002 0.000 0.219 419 G C 1.207 175.886 174.900 -0.369 0.000 1.150 419 G CA 0.752 45.467 45.100 -0.640 0.000 0.763 419 G HN 0.436 nan 8.290 nan 0.000 0.561 420 Q N -0.951 118.765 119.800 -0.140 0.000 2.096 420 Q HA -0.150 4.191 4.340 0.002 0.000 0.204 420 Q C 2.466 178.492 176.000 0.044 0.000 0.982 420 Q CA 1.590 57.460 55.803 0.111 0.000 0.850 420 Q CB -0.262 28.471 28.738 -0.009 0.000 0.901 420 Q HN 0.514 nan 8.270 nan 0.000 0.422 421 M N -0.309 119.213 119.600 -0.130 0.000 2.099 421 M HA -0.161 4.320 4.480 0.002 0.000 0.262 421 M C 1.481 177.733 176.300 -0.079 0.000 1.067 421 M CA 1.645 56.756 55.300 -0.314 0.000 1.124 421 M CB -0.424 31.637 32.600 -0.899 0.000 1.353 421 M HN 0.088 nan 8.290 nan 0.000 0.410 422 Y N -0.564 119.769 120.300 0.056 0.000 2.151 422 Y HA -0.255 4.296 4.550 0.002 0.000 0.284 422 Y C 2.355 178.304 175.900 0.082 0.000 1.166 422 Y CA 2.116 60.251 58.100 0.059 0.000 1.163 422 Y CB -1.228 37.216 38.460 -0.027 0.000 0.974 422 Y HN 0.321 nan 8.280 nan 0.000 0.511 423 F N -0.044 119.984 119.950 0.130 0.000 2.069 423 F HA -0.318 4.210 4.527 0.002 0.000 0.298 423 F C 2.248 178.113 175.800 0.108 0.000 1.113 423 F CA 1.272 59.376 58.000 0.173 0.000 1.214 423 F CB -0.362 38.798 39.000 0.267 0.000 0.978 423 F HN -0.039 nan 8.300 nan 0.000 0.474 424 I N 0.591 121.298 120.570 0.229 0.000 2.194 424 I HA -0.367 3.804 4.170 0.002 0.000 0.246 424 I C 1.981 178.135 176.117 0.062 0.000 1.093 424 I CA 1.327 62.665 61.300 0.063 0.000 1.355 424 I CB -0.403 37.576 38.000 -0.035 0.000 1.046 424 I HN 0.227 nan 8.210 nan 0.000 0.413 425 L N -0.110 121.149 121.223 0.060 0.000 2.610 425 L HA -0.041 4.300 4.340 0.002 0.000 0.232 425 L C 0.747 177.586 176.870 -0.052 0.000 1.149 425 L CA 0.332 55.186 54.840 0.023 0.000 0.872 425 L CB -0.428 41.672 42.059 0.069 0.000 0.992 425 L HN 0.368 nan 8.230 nan 0.000 0.447 426 Q N -0.650 119.084 119.800 -0.110 0.000 2.494 426 Q HA -0.248 4.093 4.340 0.002 0.000 0.266 426 Q C 0.012 175.546 176.000 -0.777 0.000 1.053 426 Q CA 0.790 56.242 55.803 -0.584 0.000 1.029 426 Q CB -1.469 27.054 28.738 -0.359 0.000 1.423 426 Q HN 0.353 nan 8.270 nan 0.000 0.516 427 D N -0.405 119.774 120.400 -0.368 0.000 2.563 427 D HA 0.090 4.731 4.640 0.002 0.000 0.222 427 D C 0.390 176.531 176.300 -0.265 0.000 1.145 427 D CA -0.212 53.622 54.000 -0.277 0.000 1.001 427 D CB -0.066 40.680 40.800 -0.090 0.000 1.049 427 D HN 0.166 nan 8.370 nan 0.000 0.515 428 Y N 1.477 121.728 120.300 -0.082 0.000 2.274 428 Y HA -0.135 4.416 4.550 0.002 0.000 0.290 428 Y C 2.445 178.234 175.900 -0.186 0.000 1.145 428 Y CA 0.855 58.866 58.100 -0.148 0.000 1.203 428 Y CB -0.333 38.050 38.460 -0.128 0.000 0.984 428 Y HN 0.283 nan 8.280 nan 0.000 0.533 429 K N 0.661 121.026 120.400 -0.057 0.000 2.026 429 K HA -0.198 4.123 4.320 0.002 0.000 0.208 429 K C 1.586 178.050 176.600 -0.228 0.000 1.048 429 K CA 1.875 58.090 56.287 -0.121 0.000 0.929 429 K CB -0.318 32.111 32.500 -0.118 0.000 0.713 429 K HN 0.384 nan 8.250 nan 0.000 0.439 430 N N -0.144 118.320 118.700 -0.393 0.000 2.270 430 N HA -0.089 4.652 4.740 0.002 0.000 0.181 430 N C 1.682 176.873 175.510 -0.531 0.000 1.016 430 N CA 0.793 53.445 53.050 -0.663 0.000 0.870 430 N CB -0.036 37.578 38.487 -1.455 0.000 0.979 430 N HN 0.284 nan 8.380 nan 0.000 0.431 431 A N 1.348 123.953 122.820 -0.358 0.000 1.902 431 A HA -0.187 4.134 4.320 0.002 0.000 0.217 431 A C 2.041 179.422 177.584 -0.339 0.000 1.181 431 A CA 1.326 53.171 52.037 -0.321 0.000 0.623 431 A CB -0.408 18.509 19.000 -0.138 0.000 0.818 431 A HN 0.203 nan 8.150 nan 0.000 0.443 432 K N -0.096 120.210 120.400 -0.157 0.000 2.026 432 K HA -0.180 4.141 4.320 0.002 0.000 0.208 432 K C 1.912 178.466 176.600 -0.076 0.000 1.048 432 K CA 1.648 57.898 56.287 -0.062 0.000 0.929 432 K CB -0.212 32.242 32.500 -0.076 0.000 0.713 432 K HN 0.611 nan 8.250 nan 0.000 0.439 433 E N 0.443 120.567 120.200 -0.127 0.000 2.085 433 E HA -0.206 4.145 4.350 0.002 0.000 0.194 433 E C 1.787 178.335 176.600 -0.086 0.000 0.994 433 E CA 1.425 57.763 56.400 -0.104 0.000 0.801 433 E CB -0.065 29.562 29.700 -0.122 0.000 0.743 433 E HN 0.364 nan 8.360 nan 0.000 0.453 434 D N -0.044 120.286 120.400 -0.116 0.000 2.117 434 D HA -0.113 4.528 4.640 0.002 0.000 0.198 434 D C 1.738 178.032 176.300 -0.010 0.000 0.982 434 D CA 0.828 54.807 54.000 -0.035 0.000 0.828 434 D CB -0.194 40.578 40.800 -0.047 0.000 0.967 434 D HN 0.069 nan 8.370 nan 0.000 0.464 435 F N 1.451 121.416 119.950 0.025 0.000 2.134 435 F HA -0.103 4.425 4.527 0.001 0.000 0.299 435 F C 2.585 178.365 175.800 -0.032 0.000 1.097 435 F CA 0.798 58.804 58.000 0.009 0.000 1.264 435 F CB -0.954 38.012 39.000 -0.056 0.000 1.001 435 F HN 0.008 nan 8.300 nan 0.000 0.479 436 Q N -0.103 119.759 119.800 0.104 0.000 2.096 436 Q HA -0.261 4.080 4.340 0.002 0.000 0.204 436 Q C 2.204 178.178 176.000 -0.044 0.000 0.982 436 Q CA 1.798 57.604 55.803 0.004 0.000 0.850 436 Q CB -0.266 28.458 28.738 -0.023 0.000 0.901 436 Q HN 0.164 nan 8.270 nan 0.000 0.422 437 K N 0.942 121.287 120.400 -0.092 0.000 2.026 437 K HA -0.128 4.193 4.320 0.002 0.000 0.208 437 K C 1.858 178.361 176.600 -0.161 0.000 1.048 437 K CA 1.517 57.659 56.287 -0.241 0.000 0.929 437 K CB -0.574 31.596 32.500 -0.550 0.000 0.713 437 K HN 0.189 nan 8.250 nan 0.000 0.439 438 A N 0.691 123.525 122.820 0.023 0.000 1.883 438 A HA -0.277 4.044 4.320 0.002 0.000 0.217 438 A C 2.253 179.879 177.584 0.069 0.000 1.186 438 A CA 2.051 54.168 52.037 0.133 0.000 0.624 438 A CB -0.804 18.379 19.000 0.305 0.000 0.822 438 A HN 0.604 nan 8.150 nan 0.000 0.444 439 Q N -0.266 119.559 119.800 0.042 0.000 2.061 439 Q HA -0.179 4.162 4.340 0.002 0.000 0.204 439 Q C 2.316 178.303 176.000 -0.023 0.000 0.984 439 Q CA 2.094 57.873 55.803 -0.039 0.000 0.846 439 Q CB -0.185 28.445 28.738 -0.179 0.000 0.902 439 Q HN 0.625 nan 8.270 nan 0.000 0.421 440 S N 0.786 116.463 115.700 -0.039 0.000 2.359 440 S HA -0.148 4.323 4.470 0.002 0.000 0.224 440 S C 1.908 176.509 174.600 0.002 0.000 1.035 440 S CA 1.240 59.423 58.200 -0.028 0.000 1.018 440 S CB -0.289 62.878 63.200 -0.055 0.000 0.876 440 S HN 0.363 nan 8.310 nan 0.000 0.448 441 L N 0.770 121.992 121.223 -0.001 0.000 2.141 441 L HA 0.007 4.348 4.340 0.002 0.000 0.209 441 L C 0.838 177.745 176.870 0.061 0.000 1.094 441 L CA 0.708 55.568 54.840 0.033 0.000 0.763 441 L CB -0.230 41.857 42.059 0.047 0.000 0.908 441 L HN 0.245 nan 8.230 nan 0.000 0.437 442 N N -0.975 117.766 118.700 0.069 0.000 2.707 442 N HA 0.174 4.915 4.740 0.002 0.000 0.249 442 N C -2.268 173.336 175.510 0.157 0.000 1.299 442 N CA -1.561 51.548 53.050 0.100 0.000 0.769 442 N CB 1.049 39.584 38.487 0.079 0.000 1.236 442 N HN -0.223 nan 8.380 nan 0.000 0.524 443 P HA 0.059 nan 4.420 nan 0.000 0.242 443 P C 0.337 177.905 177.300 0.447 0.000 1.197 443 P CA 0.764 64.039 63.100 0.292 0.000 0.765 443 P CB 0.501 32.317 31.700 0.194 0.000 0.936 444 E N -1.235 119.161 120.200 0.327 0.000 2.474 444 E HA 0.064 4.415 4.350 0.002 0.000 0.195 444 E C 0.339 177.161 176.600 0.371 0.000 1.039 444 E CA 0.056 56.676 56.400 0.366 0.000 0.881 444 E CB -0.321 29.513 29.700 0.223 0.000 0.970 444 E HN 0.272 nan 8.360 nan 0.000 0.486 445 N N 1.246 120.108 118.700 0.269 0.000 2.426 445 N HA 0.027 4.768 4.740 0.002 0.000 0.275 445 N C 0.754 176.206 175.510 -0.098 0.000 1.019 445 N CA -0.065 53.026 53.050 0.070 0.000 0.941 445 N CB 2.135 40.659 38.487 0.060 0.000 1.123 445 N HN -0.166 nan 8.380 nan 0.000 0.486 446 V N 5.383 124.931 119.914 -0.611 0.000 2.809 446 V HA -0.135 3.986 4.120 0.002 0.000 0.256 446 V C 1.121 176.967 176.094 -0.415 0.000 1.080 446 V CA 1.362 63.046 62.300 -1.027 0.000 1.102 446 V CB -0.730 30.309 31.823 -1.306 0.000 0.705 446 V HN 0.650 nan 8.190 nan 0.000 0.475 447 Y N 0.845 121.018 120.300 -0.212 0.000 2.200 447 Y HA -0.058 4.493 4.550 0.002 0.000 0.290 447 Y C 0.166 176.032 175.900 -0.057 0.000 1.137 447 Y CA 2.175 60.148 58.100 -0.212 0.000 1.163 447 Y CB -1.652 36.562 38.460 -0.410 0.000 0.988 447 Y HN 0.388 nan 8.280 nan 0.000 0.518 448 P HA -0.188 nan 4.420 nan 0.000 0.218 448 P C 0.833 178.108 177.300 -0.041 0.000 1.148 448 P CA 1.721 64.900 63.100 0.132 0.000 0.822 448 P CB -0.213 31.571 31.700 0.140 0.000 0.784 449 Y N -1.017 119.264 120.300 -0.031 0.000 2.145 449 Y HA -0.177 4.374 4.550 0.002 0.000 0.286 449 Y C 2.343 178.120 175.900 -0.204 0.000 1.145 449 Y CA 0.508 58.643 58.100 0.058 0.000 1.148 449 Y CB -0.996 37.566 38.460 0.171 0.000 0.981 449 Y HN -0.133 nan 8.280 nan 0.000 0.507 450 I N 0.158 120.657 120.570 -0.118 0.000 2.163 450 I HA -0.305 3.866 4.170 0.002 0.000 0.243 450 I C 2.214 178.091 176.117 -0.400 0.000 1.085 450 I CA 1.548 62.646 61.300 -0.335 0.000 1.347 450 I CB -1.293 36.372 38.000 -0.558 0.000 1.044 450 I HN 0.364 nan 8.210 nan 0.000 0.408 451 Q N 0.296 119.837 119.800 -0.430 0.000 2.119 451 Q HA -0.081 4.260 4.340 0.002 0.000 0.201 451 Q C 2.479 178.114 176.000 -0.608 0.000 0.972 451 Q CA 1.080 56.533 55.803 -0.584 0.000 0.847 451 Q CB -0.503 27.397 28.738 -1.396 0.000 0.903 451 Q HN 0.506 nan 8.270 nan 0.000 0.433 452 L N 0.204 121.025 121.223 -0.669 0.000 2.042 452 L HA -0.211 4.130 4.340 0.002 0.000 0.210 452 L C 2.433 178.784 176.870 -0.864 0.000 1.076 452 L CA 1.335 55.739 54.840 -0.727 0.000 0.749 452 L CB -0.641 40.879 42.059 -0.900 0.000 0.893 452 L HN 0.139 nan 8.230 nan 0.000 0.432 453 A N -1.106 121.133 122.820 -0.968 0.000 1.902 453 A HA -0.219 4.102 4.320 0.002 0.000 0.217 453 A C 2.384 179.794 177.584 -0.291 0.000 1.181 453 A CA 1.789 53.340 52.037 -0.810 0.000 0.623 453 A CB -1.139 17.047 19.000 -1.357 0.000 0.818 453 A HN 0.549 nan 8.150 nan 0.000 0.443 454 C N -1.349 117.888 119.300 -0.104 0.000 2.425 454 C HA -0.046 4.415 4.460 0.002 0.000 0.277 454 C C 2.485 177.656 174.990 0.302 0.000 1.280 454 C CA 1.007 60.206 59.018 0.302 0.000 1.744 454 C CB -1.378 26.626 27.740 0.441 0.000 1.989 454 C HN 0.629 nan 8.230 nan 0.000 0.491 455 L N 0.749 121.938 121.223 -0.057 0.000 2.012 455 L HA -0.130 4.211 4.340 0.002 0.000 0.210 455 L C 2.349 179.073 176.870 -0.243 0.000 1.073 455 L CA 1.796 56.401 54.840 -0.392 0.000 0.748 455 L CB -0.919 40.822 42.059 -0.530 0.000 0.891 455 L HN 0.311 nan 8.230 nan 0.000 0.431 456 L N -2.154 118.960 121.223 -0.181 0.000 2.013 456 L HA -0.303 4.038 4.340 0.002 0.000 0.212 456 L C 2.511 179.397 176.870 0.026 0.000 1.073 456 L CA 1.790 56.569 54.840 -0.102 0.000 0.753 456 L CB -0.954 41.054 42.059 -0.086 0.000 0.890 456 L HN 0.323 nan 8.230 nan 0.000 0.432 457 Y N 1.059 121.390 120.300 0.053 0.000 2.165 457 Y HA -0.246 4.305 4.550 0.002 0.000 0.286 457 Y C 2.489 178.455 175.900 0.110 0.000 1.155 457 Y CA 1.536 59.737 58.100 0.169 0.000 1.164 457 Y CB -0.097 38.546 38.460 0.305 0.000 0.978 457 Y HN -0.030 nan 8.280 nan 0.000 0.513 458 K N 0.413 120.786 120.400 -0.046 0.000 2.283 458 K HA -0.110 4.211 4.320 0.002 0.000 0.202 458 K C 1.580 177.999 176.600 -0.301 0.000 1.048 458 K CA 1.166 57.372 56.287 -0.135 0.000 0.948 458 K CB -0.305 32.333 32.500 0.230 0.000 0.742 458 K HN 0.581 nan 8.250 nan 0.000 0.458 459 Q N -0.398 119.173 119.800 -0.380 0.000 2.373 459 Q HA 0.091 4.432 4.340 0.002 0.000 0.206 459 Q C 0.489 176.369 176.000 -0.201 0.000 0.942 459 Q CA 0.341 55.916 55.803 -0.381 0.000 0.953 459 Q CB 0.345 28.819 28.738 -0.439 0.000 1.022 459 Q HN 0.443 nan 8.270 nan 0.000 0.502 460 G N 1.529 110.211 108.800 -0.197 0.000 2.143 460 G HA2 -0.305 3.656 3.960 0.002 0.000 0.249 460 G HA3 -0.305 3.656 3.960 0.002 0.000 0.249 460 G C 0.136 175.038 174.900 0.004 0.000 0.981 460 G CA 0.011 45.044 45.100 -0.112 0.000 0.665 460 G HN 0.264 nan 8.290 nan 0.000 0.528 461 K N 0.121 120.538 120.400 0.028 0.000 2.778 461 K HA 0.438 4.759 4.320 0.002 0.000 0.238 461 K C 1.153 177.872 176.600 0.198 0.000 1.233 461 K CA -0.831 55.506 56.287 0.085 0.000 1.195 461 K CB -0.137 32.373 32.500 0.017 0.000 1.743 461 K HN 0.235 nan 8.250 nan 0.000 0.418 462 F N 0.895 120.955 119.950 0.184 0.000 2.095 462 F HA -0.264 4.264 4.527 0.002 0.000 0.298 462 F C 1.749 177.690 175.800 0.236 0.000 1.104 462 F CA 1.879 60.063 58.000 0.307 0.000 1.232 462 F CB -0.125 39.060 39.000 0.308 0.000 0.987 462 F HN 0.173 nan 8.300 nan 0.000 0.475 463 T N 0.138 114.700 114.554 0.012 0.000 2.720 463 T HA -0.215 4.136 4.350 0.002 0.000 0.268 463 T C 1.728 176.364 174.700 -0.108 0.000 1.037 463 T CA 1.862 63.901 62.100 -0.101 0.000 1.144 463 T CB -0.391 68.509 68.868 0.054 0.000 0.864 463 T HN 0.422 nan 8.240 nan 0.000 0.444 464 E N 0.749 120.934 120.200 -0.024 0.000 2.106 464 E HA -0.088 4.263 4.350 0.002 0.000 0.192 464 E C 2.477 179.087 176.600 0.016 0.000 0.984 464 E CA 1.022 57.425 56.400 0.005 0.000 0.806 464 E CB -0.154 29.561 29.700 0.025 0.000 0.750 464 E HN 0.356 nan 8.360 nan 0.000 0.458 465 S N 0.821 116.524 115.700 0.004 0.000 2.356 465 S HA -0.250 4.221 4.470 0.002 0.000 0.223 465 S C 2.046 176.708 174.600 0.103 0.000 1.032 465 S CA 1.613 59.854 58.200 0.070 0.000 1.005 465 S CB -0.126 63.223 63.200 0.248 0.000 0.867 465 S HN 0.321 nan 8.310 nan 0.000 0.449 466 E N 0.577 120.693 120.200 -0.140 0.000 2.038 466 E HA -0.174 4.177 4.350 0.002 0.000 0.195 466 E C 2.155 178.667 176.600 -0.147 0.000 1.000 466 E CA 1.260 57.528 56.400 -0.221 0.000 0.803 466 E CB -0.542 28.855 29.700 -0.505 0.000 0.750 466 E HN 0.596 nan 8.360 nan 0.000 0.448 467 A N 0.461 123.220 122.820 -0.101 0.000 1.917 467 A HA -0.209 4.112 4.320 0.002 0.000 0.219 467 A C 2.069 179.629 177.584 -0.039 0.000 1.182 467 A CA 1.545 53.542 52.037 -0.065 0.000 0.633 467 A CB -1.033 17.939 19.000 -0.046 0.000 0.819 467 A HN 0.522 nan 8.150 nan 0.000 0.448 468 F N -1.163 118.709 119.950 -0.131 0.000 2.134 468 F HA -0.117 4.411 4.527 0.002 0.000 0.299 468 F C 1.978 177.669 175.800 -0.182 0.000 1.097 468 F CA 1.630 59.536 58.000 -0.158 0.000 1.264 468 F CB -0.191 38.677 39.000 -0.220 0.000 1.001 468 F HN 0.242 nan 8.300 nan 0.000 0.479 469 F N 0.885 120.873 119.950 0.063 0.000 2.126 469 F HA -0.279 4.249 4.527 0.001 0.000 0.299 469 F C 2.298 177.975 175.800 -0.204 0.000 1.096 469 F CA 1.587 59.513 58.000 -0.123 0.000 1.255 469 F CB -1.086 37.651 39.000 -0.437 0.000 0.997 469 F HN -0.015 nan 8.300 nan 0.000 0.479 470 N N 0.273 118.927 118.700 -0.077 0.000 2.120 470 N HA -0.156 4.585 4.740 0.002 0.000 0.188 470 N C 1.765 177.220 175.510 -0.093 0.000 1.024 470 N CA 1.397 54.381 53.050 -0.109 0.000 0.852 470 N CB -0.511 37.903 38.487 -0.123 0.000 1.003 470 N HN 0.390 nan 8.380 nan 0.000 0.424 471 E N -0.133 119.990 120.200 -0.128 0.000 2.110 471 E HA -0.078 4.273 4.350 0.002 0.000 0.193 471 E C 1.761 178.278 176.600 -0.138 0.000 0.988 471 E CA 1.335 57.634 56.400 -0.169 0.000 0.804 471 E CB -0.084 29.447 29.700 -0.281 0.000 0.745 471 E HN 0.298 nan 8.360 nan 0.000 0.458 472 T N 0.866 115.375 114.554 -0.076 0.000 2.746 472 T HA -0.180 4.171 4.350 0.002 0.000 0.267 472 T C 1.792 176.516 174.700 0.039 0.000 1.039 472 T CA 1.521 63.631 62.100 0.018 0.000 1.142 472 T CB -0.152 68.799 68.868 0.138 0.000 0.866 472 T HN -0.010 nan 8.240 nan 0.000 0.444 473 K N 1.324 121.742 120.400 0.030 0.000 2.074 473 K HA -0.009 4.312 4.320 0.002 0.000 0.209 473 K C 2.005 178.581 176.600 -0.039 0.000 1.048 473 K CA 1.316 57.613 56.287 0.016 0.000 0.926 473 K CB -0.751 31.745 32.500 -0.006 0.000 0.713 473 K HN 0.317 nan 8.250 nan 0.000 0.444 474 L N 0.116 121.288 121.223 -0.085 0.000 2.131 474 L HA -0.148 4.192 4.340 0.002 0.000 0.210 474 L C 2.371 179.125 176.870 -0.194 0.000 1.092 474 L CA 1.378 56.148 54.840 -0.118 0.000 0.759 474 L CB -0.363 41.626 42.059 -0.117 0.000 0.903 474 L HN 0.169 nan 8.230 nan 0.000 0.435 475 K N 0.405 120.627 120.400 -0.297 0.000 2.167 475 K HA -0.048 4.273 4.320 0.002 0.000 0.203 475 K C 0.230 176.349 176.600 -0.802 0.000 1.052 475 K CA 1.110 57.033 56.287 -0.607 0.000 0.956 475 K CB 0.155 32.143 32.500 -0.854 0.000 0.735 475 K HN 0.126 nan 8.250 nan 0.000 0.451 476 F N 0.966 120.806 119.950 -0.183 0.000 2.542 476 F HA 0.342 4.870 4.527 0.002 0.000 0.323 476 F C -1.950 173.787 175.800 -0.105 0.000 1.411 476 F CA -2.137 55.771 58.000 -0.153 0.000 1.124 476 F CB 1.554 40.435 39.000 -0.199 0.000 1.331 476 F HN -0.021 nan 8.300 nan 0.000 0.560 477 P HA -0.136 nan 4.420 nan 0.000 0.220 477 P C 1.394 178.702 177.300 0.013 0.000 1.148 477 P CA 1.490 64.593 63.100 0.003 0.000 0.803 477 P CB -0.017 31.667 31.700 -0.026 0.000 0.782 478 T N -3.853 110.710 114.554 0.015 0.000 3.086 478 T HA 0.191 4.542 4.350 0.002 0.000 0.250 478 T C 0.753 175.424 174.700 -0.048 0.000 1.074 478 T CA -0.181 61.913 62.100 -0.010 0.000 0.988 478 T CB -0.575 68.284 68.868 -0.014 0.000 0.988 478 T HN -0.052 nan 8.240 nan 0.000 0.530 479 L N 2.924 124.130 121.223 -0.029 0.000 2.265 479 L HA 0.353 4.694 4.340 0.002 0.000 0.288 479 L C -1.382 175.466 176.870 -0.038 0.000 1.058 479 L CA -2.302 52.479 54.840 -0.098 0.000 0.809 479 L CB 1.487 43.498 42.059 -0.081 0.000 1.179 479 L HN -0.043 nan 8.230 nan 0.000 0.429 480 P HA -0.051 nan 4.420 nan 0.000 0.237 480 P C 0.752 178.127 177.300 0.125 0.000 1.178 480 P CA 0.553 63.687 63.100 0.057 0.000 0.766 480 P CB 0.481 32.226 31.700 0.074 0.000 0.876 481 E N 0.182 120.458 120.200 0.126 0.000 2.097 481 E HA -0.141 4.210 4.350 0.002 0.000 0.196 481 E C 2.059 178.833 176.600 0.291 0.000 1.000 481 E CA 1.277 57.809 56.400 0.221 0.000 0.804 481 E CB -1.181 28.489 29.700 -0.049 0.000 0.740 481 E HN 0.080 nan 8.360 nan 0.000 0.454 482 V N 1.236 121.244 119.914 0.156 0.000 2.237 482 V HA -0.184 3.937 4.120 0.002 0.000 0.245 482 V C -0.843 175.362 176.094 0.185 0.000 1.046 482 V CA 2.090 64.522 62.300 0.220 0.000 1.007 482 V CB -1.704 30.210 31.823 0.153 0.000 0.638 482 V HN 0.285 nan 8.190 nan 0.000 0.445 483 P HA -0.098 nan 4.420 nan 0.000 0.220 483 P C 1.649 178.952 177.300 0.005 0.000 1.148 483 P CA 1.479 64.618 63.100 0.065 0.000 0.803 483 P CB -0.208 31.525 31.700 0.056 0.000 0.782 484 T N -0.283 114.324 114.554 0.089 0.000 2.674 484 T HA -0.106 4.245 4.350 0.002 0.000 0.265 484 T C 1.552 176.231 174.700 -0.035 0.000 1.039 484 T CA 1.393 63.526 62.100 0.055 0.000 1.150 484 T CB -0.961 67.984 68.868 0.129 0.000 0.864 484 T HN 0.003 nan 8.240 nan 0.000 0.427 485 F N 0.199 120.175 119.950 0.042 0.000 2.234 485 F HA 0.084 4.612 4.527 0.002 0.000 0.299 485 F C 1.971 177.662 175.800 -0.181 0.000 1.087 485 F CA 0.593 58.634 58.000 0.069 0.000 1.340 485 F CB -0.438 38.737 39.000 0.291 0.000 1.031 485 F HN 0.080 nan 8.300 nan 0.000 0.500 486 F N 0.823 120.447 119.950 -0.543 0.000 2.134 486 F HA -0.125 4.403 4.527 0.002 0.000 0.299 486 F C 2.336 177.837 175.800 -0.499 0.000 1.097 486 F CA 1.027 58.477 58.000 -0.917 0.000 1.264 486 F CB -0.887 37.481 39.000 -1.054 0.000 1.001 486 F HN -0.087 nan 8.300 nan 0.000 0.479 487 A N -0.187 122.299 122.820 -0.557 0.000 1.940 487 A HA -0.266 4.055 4.320 0.002 0.000 0.219 487 A C 2.228 179.457 177.584 -0.591 0.000 1.176 487 A CA 1.865 53.426 52.037 -0.793 0.000 0.631 487 A CB -1.028 17.100 19.000 -1.452 0.000 0.814 487 A HN 0.572 nan 8.150 nan 0.000 0.446 488 E N -0.198 119.783 120.200 -0.364 0.000 2.058 488 E HA -0.191 4.160 4.350 0.002 0.000 0.194 488 E C 1.839 178.336 176.600 -0.172 0.000 0.997 488 E CA 1.452 57.778 56.400 -0.123 0.000 0.801 488 E CB -0.256 29.423 29.700 -0.036 0.000 0.746 488 E HN 0.651 nan 8.360 nan 0.000 0.450 489 I N 0.795 121.192 120.570 -0.289 0.000 2.208 489 I HA -0.306 3.865 4.170 0.002 0.000 0.245 489 I C 2.362 178.168 176.117 -0.518 0.000 1.097 489 I CA 0.977 61.981 61.300 -0.494 0.000 1.363 489 I CB -0.170 37.494 38.000 -0.559 0.000 1.051 489 I HN 0.225 nan 8.210 nan 0.000 0.413 490 L N -0.305 120.573 121.223 -0.575 0.000 2.083 490 L HA -0.209 4.132 4.340 0.002 0.000 0.209 490 L C 2.578 179.230 176.870 -0.363 0.000 1.083 490 L CA 1.431 55.957 54.840 -0.524 0.000 0.752 490 L CB -0.988 40.716 42.059 -0.592 0.000 0.899 490 L HN 0.255 nan 8.230 nan 0.000 0.433 491 T N -1.067 113.354 114.554 -0.222 0.000 2.708 491 T HA -0.238 4.113 4.350 0.002 0.000 0.266 491 T C 1.516 176.178 174.700 -0.063 0.000 1.037 491 T CA 1.805 63.894 62.100 -0.018 0.000 1.146 491 T CB -0.275 68.699 68.868 0.177 0.000 0.865 491 T HN 0.340 nan 8.240 nan 0.000 0.435 492 D N 0.534 120.901 120.400 -0.054 0.000 2.182 492 D HA -0.080 4.561 4.640 0.002 0.000 0.201 492 D C 2.220 178.491 176.300 -0.048 0.000 0.986 492 D CA 0.944 54.954 54.000 0.017 0.000 0.847 492 D CB 0.025 40.897 40.800 0.119 0.000 0.942 492 D HN 0.238 nan 8.370 nan 0.000 0.467 493 R N -1.380 119.012 120.500 -0.180 0.000 2.275 493 R HA 0.194 4.535 4.340 0.002 0.000 0.199 493 R C 1.472 177.552 176.300 -0.366 0.000 0.989 493 R CA 0.647 56.598 56.100 -0.248 0.000 1.016 493 R CB 0.329 30.398 30.300 -0.384 0.000 0.918 493 R HN 0.250 nan 8.270 nan 0.000 0.473 494 G N 1.242 109.696 108.800 -0.576 0.000 2.141 494 G HA2 -0.249 3.712 3.960 0.002 0.000 0.242 494 G HA3 -0.249 3.712 3.960 0.002 0.000 0.242 494 G C -0.241 174.031 174.900 -1.046 0.000 0.982 494 G CA 0.165 44.637 45.100 -1.046 0.000 0.662 494 G HN 0.344 nan 8.290 nan 0.000 0.527 495 D N 0.250 120.240 120.400 -0.684 0.000 2.619 495 D HA 0.449 5.090 4.640 0.002 0.000 0.224 495 D C 1.364 177.488 176.300 -0.293 0.000 1.133 495 D CA -0.830 52.918 54.000 -0.421 0.000 1.017 495 D CB -0.566 40.040 40.800 -0.324 0.000 1.077 495 D HN 0.133 nan 8.370 nan 0.000 0.503 496 F N 0.418 120.332 119.950 -0.061 0.000 2.234 496 F HA -0.059 4.469 4.527 0.001 0.000 0.299 496 F C 2.026 177.810 175.800 -0.027 0.000 1.087 496 F CA 0.457 58.435 58.000 -0.036 0.000 1.340 496 F CB -0.259 38.732 39.000 -0.014 0.000 1.031 496 F HN 0.188 nan 8.300 nan 0.000 0.500 497 D N -0.292 120.183 120.400 0.126 0.000 2.097 497 D HA -0.132 4.509 4.640 0.002 0.000 0.195 497 D C 2.286 178.607 176.300 0.034 0.000 0.989 497 D CA 2.004 56.046 54.000 0.071 0.000 0.827 497 D CB -0.683 40.142 40.800 0.042 0.000 0.966 497 D HN 0.167 nan 8.370 nan 0.000 0.456 498 T N 0.259 114.806 114.554 -0.011 0.000 2.857 498 T HA -0.003 4.348 4.350 0.002 0.000 0.266 498 T C 2.000 176.650 174.700 -0.083 0.000 1.048 498 T CA 1.152 63.229 62.100 -0.037 0.000 1.139 498 T CB -0.260 68.571 68.868 -0.062 0.000 0.874 498 T HN 0.161 nan 8.240 nan 0.000 0.455 499 A N 1.667 124.424 122.820 -0.106 0.000 1.877 499 A HA -0.036 4.285 4.320 0.002 0.000 0.216 499 A C 2.289 179.851 177.584 -0.035 0.000 1.186 499 A CA 1.207 53.146 52.037 -0.163 0.000 0.620 499 A CB -0.881 18.074 19.000 -0.074 0.000 0.822 499 A HN 0.501 nan 8.150 nan 0.000 0.443 500 I N -0.364 120.270 120.570 0.106 0.000 2.151 500 I HA -0.341 3.830 4.170 0.002 0.000 0.243 500 I C 2.477 178.655 176.117 0.102 0.000 1.080 500 I CA 1.929 63.320 61.300 0.152 0.000 1.339 500 I CB -0.377 37.690 38.000 0.112 0.000 1.039 500 I HN 0.345 nan 8.210 nan 0.000 0.409 501 K N 0.115 120.545 120.400 0.049 0.000 2.097 501 K HA -0.192 4.129 4.320 0.002 0.000 0.206 501 K C 2.205 178.826 176.600 0.035 0.000 1.049 501 K CA 1.074 57.386 56.287 0.042 0.000 0.933 501 K CB -0.129 32.392 32.500 0.034 0.000 0.717 501 K HN 0.342 nan 8.250 nan 0.000 0.442 502 Q N -0.215 119.575 119.800 -0.017 0.000 2.083 502 Q HA -0.106 4.235 4.340 0.002 0.000 0.198 502 Q C 2.036 178.017 176.000 -0.032 0.000 0.969 502 Q CA 1.389 57.164 55.803 -0.047 0.000 0.838 502 Q CB -0.255 28.398 28.738 -0.142 0.000 0.900 502 Q HN 0.387 nan 8.270 nan 0.000 0.436 503 Y N 1.747 122.049 120.300 0.004 0.000 2.224 503 Y HA -0.185 4.366 4.550 0.002 0.000 0.289 503 Y C 1.993 177.899 175.900 0.009 0.000 1.146 503 Y CA 1.009 59.110 58.100 0.000 0.000 1.182 503 Y CB -0.313 38.140 38.460 -0.012 0.000 0.983 503 Y HN 0.138 nan 8.280 nan 0.000 0.524 504 D N -0.251 120.247 120.400 0.164 0.000 2.117 504 D HA -0.151 4.490 4.640 0.002 0.000 0.197 504 D C 2.304 178.651 176.300 0.078 0.000 0.987 504 D CA 1.239 55.298 54.000 0.099 0.000 0.829 504 D CB -0.352 40.490 40.800 0.070 0.000 0.961 504 D HN 0.306 nan 8.370 nan 0.000 0.460 505 I N 0.886 121.499 120.570 0.072 0.000 2.252 505 I HA -0.219 3.952 4.170 0.002 0.000 0.245 505 I C 2.425 178.581 176.117 0.065 0.000 1.102 505 I CA 0.886 62.220 61.300 0.057 0.000 1.385 505 I CB -0.116 37.913 38.000 0.048 0.000 1.064 505 I HN -0.083 nan 8.210 nan 0.000 0.414 506 A N 0.753 123.625 122.820 0.087 0.000 1.877 506 A HA -0.281 4.040 4.320 0.002 0.000 0.216 506 A C 2.374 180.015 177.584 0.095 0.000 1.186 506 A CA 2.040 54.138 52.037 0.102 0.000 0.620 506 A CB -0.592 18.498 19.000 0.149 0.000 0.822 506 A HN 0.360 nan 8.150 nan 0.000 0.443 507 K N -0.782 119.677 120.400 0.099 0.000 2.044 507 K HA -0.249 4.072 4.320 0.002 0.000 0.210 507 K C 2.210 178.844 176.600 0.056 0.000 1.049 507 K CA 1.844 58.174 56.287 0.072 0.000 0.927 507 K CB -0.144 32.391 32.500 0.059 0.000 0.713 507 K HN 0.268 nan 8.250 nan 0.000 0.443 508 R N 0.688 121.218 120.500 0.050 0.000 2.096 508 R HA -0.011 4.329 4.340 0.002 0.000 0.235 508 R C 2.253 178.574 176.300 0.035 0.000 1.127 508 R CA 1.164 57.287 56.100 0.038 0.000 0.968 508 R CB -0.519 29.801 30.300 0.034 0.000 0.861 508 R HN 0.258 nan 8.270 nan 0.000 0.440 509 L N -0.024 121.220 121.223 0.034 0.000 2.093 509 L HA -0.151 4.190 4.340 0.002 0.000 0.208 509 L C 2.313 179.197 176.870 0.022 0.000 1.085 509 L CA 1.331 56.181 54.840 0.018 0.000 0.755 509 L CB -0.374 41.690 42.059 0.008 0.000 0.904 509 L HN 0.177 nan 8.230 nan 0.000 0.435 510 E N 0.911 121.141 120.200 0.050 0.000 2.051 510 E HA -0.241 4.110 4.350 0.002 0.000 0.192 510 E C 1.941 178.589 176.600 0.080 0.000 0.991 510 E CA 1.529 57.978 56.400 0.081 0.000 0.799 510 E CB -0.028 29.733 29.700 0.102 0.000 0.748 510 E HN 0.387 nan 8.360 nan 0.000 0.449 511 E N -0.458 119.778 120.200 0.061 0.000 2.171 511 E HA -0.184 4.167 4.350 0.002 0.000 0.197 511 E C 1.992 178.622 176.600 0.051 0.000 0.997 511 E CA 1.607 58.039 56.400 0.053 0.000 0.810 511 E CB -0.118 29.606 29.700 0.040 0.000 0.738 511 E HN 0.416 nan 8.360 nan 0.000 0.467 512 V N -1.517 118.423 119.914 0.044 0.000 3.650 512 V HA 0.047 4.168 4.120 0.002 0.000 0.271 512 V C 0.705 176.829 176.094 0.049 0.000 1.281 512 V CA -0.066 62.258 62.300 0.040 0.000 1.120 512 V CB 0.161 32.001 31.823 0.028 0.000 0.856 512 V HN -0.024 nan 8.190 nan 0.000 0.443 513 Q N 1.138 120.975 119.800 0.062 0.000 2.421 513 Q HA 0.194 4.535 4.340 0.002 0.000 0.255 513 Q C 0.967 177.042 176.000 0.126 0.000 1.013 513 Q CA 0.436 56.295 55.803 0.094 0.000 0.895 513 Q CB 1.450 30.273 28.738 0.141 0.000 1.271 513 Q HN 0.636 nan 8.270 nan 0.000 0.460 514 E N 0.859 121.142 120.200 0.139 0.000 2.112 514 E HA -0.063 4.288 4.350 0.002 0.000 0.190 514 E C -0.101 176.574 176.600 0.125 0.000 0.979 514 E CA 0.919 57.388 56.400 0.116 0.000 0.814 514 E CB 0.381 30.143 29.700 0.103 0.000 0.762 514 E HN 0.335 nan 8.360 nan 0.000 0.460 515 K N 0.548 121.056 120.400 0.181 0.000 2.168 515 K HA 0.401 4.722 4.320 0.002 0.000 0.239 515 K C -0.145 176.556 176.600 0.167 0.000 0.999 515 K CA -0.698 55.659 56.287 0.118 0.000 0.900 515 K CB 1.484 34.000 32.500 0.027 0.000 1.111 515 K HN -0.093 nan 8.250 nan 0.000 0.452 516 I N 2.325 122.960 120.570 0.107 0.000 2.471 516 I HA -0.007 4.164 4.170 0.002 0.000 0.286 516 I C 1.323 177.487 176.117 0.078 0.000 1.079 516 I CA 0.071 61.467 61.300 0.158 0.000 1.398 516 I CB 0.324 38.444 38.000 0.201 0.000 1.403 516 I HN 0.598 nan 8.210 nan 0.000 0.530 517 H N 4.798 123.977 119.070 0.181 0.000 2.348 517 H HA 0.087 4.644 4.556 0.002 0.000 0.306 517 H C 1.535 177.003 175.328 0.234 0.000 1.034 517 H CA 1.191 57.362 56.048 0.205 0.000 1.395 517 H CB 0.816 30.669 29.762 0.152 0.000 1.495 517 H HN 0.541 nan 8.280 nan 0.000 0.616 518 V N -1.877 118.225 119.914 0.313 0.000 3.477 518 V HA 0.476 4.597 4.120 0.002 0.000 0.297 518 V C 1.183 177.375 176.094 0.164 0.000 1.433 518 V CA 0.528 62.970 62.300 0.237 0.000 1.052 518 V CB 0.258 32.205 31.823 0.207 0.000 0.895 518 V HN 0.633 nan 8.190 nan 0.000 0.438 519 G N 2.994 111.892 108.800 0.164 0.000 2.611 519 G HA2 -0.384 3.577 3.960 0.002 0.000 0.301 519 G HA3 -0.384 3.577 3.960 0.002 0.000 0.301 519 G C 0.658 175.605 174.900 0.078 0.000 1.233 519 G CA 1.104 46.276 45.100 0.119 0.000 0.993 519 G HN 1.388 nan 8.290 nan 0.000 0.553 520 I N -0.163 120.434 120.570 0.045 0.000 3.684 520 I HA 0.450 4.621 4.170 0.002 0.000 0.304 520 I C 2.244 178.347 176.117 -0.023 0.000 1.278 520 I CA 1.077 62.382 61.300 0.008 0.000 1.272 520 I CB -0.511 37.485 38.000 -0.007 0.000 1.029 520 I HN 0.694 nan 8.210 nan 0.000 0.458 521 G N 2.968 111.766 108.800 -0.003 0.000 2.574 521 G HA2 -0.216 3.745 3.960 0.002 0.000 0.220 521 G HA3 -0.216 3.745 3.960 0.002 0.000 0.220 521 G C -0.414 174.414 174.900 -0.119 0.000 1.173 521 G CA 1.365 46.442 45.100 -0.037 0.000 0.772 521 G HN 0.397 nan 8.290 nan 0.000 0.585 522 P HA -0.038 nan 4.420 nan 0.000 0.216 522 P C 2.098 179.230 177.300 -0.280 0.000 1.150 522 P CA 0.728 63.749 63.100 -0.131 0.000 0.837 522 P CB -0.138 31.612 31.700 0.084 0.000 0.786 523 L N -1.415 119.714 121.223 -0.157 0.000 2.017 523 L HA -0.167 4.174 4.340 0.002 0.000 0.208 523 L C 2.456 179.198 176.870 -0.213 0.000 1.073 523 L CA 1.484 56.233 54.840 -0.151 0.000 0.745 523 L CB -0.994 41.011 42.059 -0.090 0.000 0.894 523 L HN -0.069 nan 8.230 nan 0.000 0.432 524 I N 0.198 120.642 120.570 -0.211 0.000 2.163 524 I HA -0.230 3.941 4.170 0.002 0.000 0.243 524 I C 2.673 178.598 176.117 -0.319 0.000 1.085 524 I CA 1.596 62.768 61.300 -0.214 0.000 1.347 524 I CB -0.917 36.995 38.000 -0.147 0.000 1.044 524 I HN 0.288 nan 8.210 nan 0.000 0.408 525 G N 0.657 109.112 108.800 -0.575 0.000 2.418 525 G HA2 -0.283 3.678 3.960 0.002 0.000 0.217 525 G HA3 -0.283 3.678 3.960 0.002 0.000 0.217 525 G C 1.714 176.219 174.900 -0.659 0.000 1.158 525 G CA 0.878 45.462 45.100 -0.861 0.000 0.771 525 G HN 0.328 nan 8.290 nan 0.000 0.545 526 K N 0.528 120.547 120.400 -0.634 0.000 2.025 526 K HA 0.125 4.446 4.320 0.002 0.000 0.207 526 K C 2.784 179.279 176.600 -0.175 0.000 1.049 526 K CA 1.179 57.321 56.287 -0.241 0.000 0.933 526 K CB -0.325 32.091 32.500 -0.139 0.000 0.714 526 K HN 0.175 nan 8.250 nan 0.000 0.438 527 A N 0.619 123.321 122.820 -0.197 0.000 1.940 527 A HA -0.139 4.182 4.320 0.002 0.000 0.219 527 A C 2.144 179.627 177.584 -0.168 0.000 1.176 527 A CA 2.194 54.129 52.037 -0.171 0.000 0.631 527 A CB -0.989 17.907 19.000 -0.173 0.000 0.814 527 A HN 0.457 nan 8.150 nan 0.000 0.446 528 T N 0.256 114.709 114.554 -0.169 0.000 2.777 528 T HA -0.056 4.295 4.350 0.002 0.000 0.266 528 T C 1.794 176.395 174.700 -0.166 0.000 1.040 528 T CA 1.419 63.431 62.100 -0.146 0.000 1.141 528 T CB -0.397 68.401 68.868 -0.116 0.000 0.868 528 T HN 0.436 nan 8.240 nan 0.000 0.444 529 I N 0.896 121.367 120.570 -0.165 0.000 2.163 529 I HA -0.162 4.009 4.170 0.002 0.000 0.243 529 I C 2.283 178.267 176.117 -0.223 0.000 1.085 529 I CA 1.323 62.475 61.300 -0.245 0.000 1.347 529 I CB -0.444 37.488 38.000 -0.112 0.000 1.044 529 I HN 0.189 nan 8.210 nan 0.000 0.408 530 L N 0.379 121.517 121.223 -0.142 0.000 2.083 530 L HA -0.190 4.151 4.340 0.002 0.000 0.209 530 L C 2.842 179.653 176.870 -0.099 0.000 1.083 530 L CA 1.253 56.029 54.840 -0.107 0.000 0.752 530 L CB -0.744 41.262 42.059 -0.088 0.000 0.899 530 L HN 0.257 nan 8.230 nan 0.000 0.433 531 A N 1.297 124.041 122.820 -0.125 0.000 1.902 531 A HA -0.212 4.109 4.320 0.002 0.000 0.217 531 A C 2.291 179.853 177.584 -0.037 0.000 1.181 531 A CA 1.920 53.898 52.037 -0.098 0.000 0.623 531 A CB -0.384 18.527 19.000 -0.147 0.000 0.818 531 A HN 0.546 nan 8.150 nan 0.000 0.443 532 R N -0.843 119.597 120.500 -0.099 0.000 2.223 532 R HA 0.182 4.523 4.340 0.002 0.000 0.198 532 R C 1.885 178.118 176.300 -0.111 0.000 0.984 532 R CA 0.961 57.004 56.100 -0.095 0.000 1.018 532 R CB -0.545 29.678 30.300 -0.128 0.000 0.945 532 R HN 0.513 nan 8.270 nan 0.000 0.479 533 Q N 0.368 120.076 119.800 -0.154 0.000 2.096 533 Q HA -0.011 4.329 4.340 0.002 0.000 0.204 533 Q C 0.061 176.042 176.000 -0.032 0.000 0.982 533 Q CA 1.538 57.278 55.803 -0.105 0.000 0.850 533 Q CB 0.111 28.785 28.738 -0.106 0.000 0.901 533 Q HN 0.342 nan 8.270 nan 0.000 0.422 545 K N 1.562 122.001 120.400 0.064 0.000 2.280 545 K HA -0.035 4.286 4.320 0.002 0.000 0.202 545 K C 1.763 178.395 176.600 0.053 0.000 1.047 545 K CA 1.352 57.663 56.287 0.040 0.000 0.942 545 K CB -0.165 32.345 32.500 0.016 0.000 0.739 545 K HN 0.188 nan 8.250 nan 0.000 0.457 546 F N 3.422 123.349 119.950 -0.039 0.000 2.095 546 F HA -0.223 4.305 4.527 0.001 0.000 0.298 546 F C 1.519 177.294 175.800 -0.041 0.000 1.104 546 F CA 1.912 59.886 58.000 -0.043 0.000 1.232 546 F CB -0.334 38.642 39.000 -0.040 0.000 0.987 546 F HN 0.107 nan 8.300 nan 0.000 0.475 547 N N 0.169 118.970 118.700 0.169 0.000 2.166 547 N HA -0.152 4.589 4.740 0.002 0.000 0.186 547 N C 1.979 177.457 175.510 -0.054 0.000 1.019 547 N CA 0.944 54.026 53.050 0.053 0.000 0.856 547 N CB -0.380 38.163 38.487 0.092 0.000 0.993 547 N HN 0.392 nan 8.380 nan 0.000 0.426 548 A N 1.171 123.966 122.820 -0.042 0.000 1.933 548 A HA 0.008 4.329 4.320 0.002 0.000 0.218 548 A C 2.338 179.853 177.584 -0.115 0.000 1.175 548 A CA 1.596 53.597 52.037 -0.061 0.000 0.628 548 A CB -0.812 18.167 19.000 -0.035 0.000 0.814 548 A HN 0.340 nan 8.150 nan 0.000 0.444 549 A N 0.045 122.759 122.820 -0.176 0.000 1.877 549 A HA -0.064 4.257 4.320 0.002 0.000 0.216 549 A C 2.053 179.471 177.584 -0.277 0.000 1.186 549 A CA 1.539 53.431 52.037 -0.242 0.000 0.620 549 A CB -0.495 18.313 19.000 -0.320 0.000 0.822 549 A HN 0.401 nan 8.150 nan 0.000 0.443 550 I N 0.082 120.441 120.570 -0.351 0.000 2.163 550 I HA -0.247 3.924 4.170 0.002 0.000 0.243 550 I C 2.467 178.484 176.117 -0.166 0.000 1.085 550 I CA 2.139 63.268 61.300 -0.284 0.000 1.347 550 I CB -0.957 36.889 38.000 -0.257 0.000 1.044 550 I HN 0.491 nan 8.210 nan 0.000 0.408 551 K N 1.033 121.357 120.400 -0.127 0.000 2.057 551 K HA -0.163 4.158 4.320 0.002 0.000 0.207 551 K C 2.274 178.824 176.600 -0.085 0.000 1.049 551 K CA 1.117 57.353 56.287 -0.084 0.000 0.931 551 K CB -0.035 32.430 32.500 -0.059 0.000 0.714 551 K HN 0.205 nan 8.250 nan 0.000 0.440 552 L N 0.836 121.999 121.223 -0.100 0.000 2.017 552 L HA -0.189 4.152 4.340 0.002 0.000 0.208 552 L C 2.414 179.223 176.870 -0.102 0.000 1.073 552 L CA 1.126 55.909 54.840 -0.095 0.000 0.745 552 L CB -0.319 41.675 42.059 -0.109 0.000 0.894 552 L HN 0.199 nan 8.230 nan 0.000 0.432 553 L N -1.116 120.031 121.223 -0.126 0.000 2.141 553 L HA -0.166 4.175 4.340 0.002 0.000 0.209 553 L C 2.560 179.370 176.870 -0.100 0.000 1.094 553 L CA 1.159 55.926 54.840 -0.121 0.000 0.763 553 L CB -0.629 41.341 42.059 -0.149 0.000 0.908 553 L HN 0.267 nan 8.230 nan 0.000 0.437 554 T N -0.824 113.672 114.554 -0.097 0.000 2.746 554 T HA -0.222 4.129 4.350 0.002 0.000 0.267 554 T C 1.906 176.572 174.700 -0.057 0.000 1.039 554 T CA 1.424 63.479 62.100 -0.076 0.000 1.142 554 T CB -0.077 68.749 68.868 -0.071 0.000 0.866 554 T HN 0.079 nan 8.240 nan 0.000 0.444 555 K N 1.764 122.131 120.400 -0.054 0.000 2.057 555 K HA 0.060 4.381 4.320 0.002 0.000 0.207 555 K C 2.282 178.861 176.600 -0.035 0.000 1.049 555 K CA 1.430 57.694 56.287 -0.038 0.000 0.931 555 K CB -0.748 31.730 32.500 -0.036 0.000 0.714 555 K HN 0.249 nan 8.250 nan 0.000 0.440 556 A N 0.118 122.910 122.820 -0.047 0.000 1.877 556 A HA -0.192 4.129 4.320 0.002 0.000 0.216 556 A C 2.522 180.086 177.584 -0.034 0.000 1.186 556 A CA 1.827 53.839 52.037 -0.042 0.000 0.620 556 A CB -1.212 17.751 19.000 -0.061 0.000 0.822 556 A HN 0.538 nan 8.150 nan 0.000 0.443 557 C N -0.686 118.587 119.300 -0.044 0.000 2.413 557 C HA -0.104 4.357 4.460 0.002 0.000 0.276 557 C C 2.674 177.649 174.990 -0.025 0.000 1.248 557 C CA 1.263 60.258 59.018 -0.038 0.000 1.742 557 C CB -1.344 26.365 27.740 -0.052 0.000 2.017 557 C HN 0.693 nan 8.230 nan 0.000 0.481 558 E N 0.444 120.629 120.200 -0.024 0.000 2.072 558 E HA -0.135 4.216 4.350 0.002 0.000 0.191 558 E C 2.050 178.648 176.600 -0.003 0.000 0.985 558 E CA 0.972 57.364 56.400 -0.014 0.000 0.801 558 E CB -0.161 29.530 29.700 -0.014 0.000 0.750 558 E HN 0.621 nan 8.360 nan 0.000 0.452 559 L N 0.302 121.524 121.223 -0.001 0.000 2.156 559 L HA -0.059 4.282 4.340 0.002 0.000 0.208 559 L C 0.816 177.699 176.870 0.021 0.000 1.095 559 L CA 0.623 55.471 54.840 0.013 0.000 0.770 559 L CB 0.273 42.340 42.059 0.014 0.000 0.914 559 L HN 0.026 nan 8.230 nan 0.000 0.439 560 D N -1.347 119.060 120.400 0.012 0.000 2.552 560 D HA 0.167 4.808 4.640 0.002 0.000 0.285 560 D C -1.889 174.415 176.300 0.006 0.000 1.206 560 D CA -1.613 52.398 54.000 0.018 0.000 0.826 560 D CB 0.965 41.777 40.800 0.020 0.000 1.179 560 D HN -0.122 nan 8.370 nan 0.000 0.508 561 P HA -0.047 nan 4.420 nan 0.000 0.225 561 P C 0.856 178.155 177.300 -0.002 0.000 1.148 561 P CA 0.586 63.686 63.100 -0.001 0.000 0.779 561 P CB 0.253 31.955 31.700 0.003 0.000 0.780 562 R N -0.716 119.785 120.500 0.001 0.000 2.334 562 R HA 0.179 4.520 4.340 0.002 0.000 0.220 562 R C 0.743 177.036 176.300 -0.012 0.000 0.917 562 R CA -0.007 56.089 56.100 -0.006 0.000 1.073 562 R CB -0.094 30.201 30.300 -0.007 0.000 1.056 562 R HN 0.034 nan 8.270 nan 0.000 0.506 563 S N 2.066 117.760 115.700 -0.010 0.000 2.416 563 S HA 0.011 4.482 4.470 0.002 0.000 0.287 563 S C 1.405 176.001 174.600 -0.007 0.000 1.139 563 S CA -0.658 57.535 58.200 -0.011 0.000 1.058 563 S CB 0.696 63.889 63.200 -0.012 0.000 0.967 563 S HN 0.329 nan 8.310 nan 0.000 0.495 564 E N 4.651 124.852 120.200 0.001 0.000 2.152 564 E HA -0.213 4.138 4.350 0.002 0.000 0.192 564 E C 1.184 177.805 176.600 0.034 0.000 0.983 564 E CA 0.967 57.382 56.400 0.023 0.000 0.818 564 E CB -0.329 29.390 29.700 0.032 0.000 0.758 564 E HN 0.743 nan 8.360 nan 0.000 0.467 565 Q N 1.388 121.199 119.800 0.019 0.000 2.084 565 Q HA -0.045 4.296 4.340 0.002 0.000 0.202 565 Q C 2.304 178.300 176.000 -0.007 0.000 0.978 565 Q CA 2.384 58.197 55.803 0.016 0.000 0.844 565 Q CB -0.471 28.268 28.738 0.002 0.000 0.898 565 Q HN 0.480 nan 8.270 nan 0.000 0.426 566 A N 0.918 123.723 122.820 -0.024 0.000 1.898 566 A HA -0.219 4.102 4.320 0.002 0.000 0.216 566 A C 1.885 179.434 177.584 -0.058 0.000 1.181 566 A CA 1.576 53.585 52.037 -0.047 0.000 0.620 566 A CB -0.343 18.630 19.000 -0.045 0.000 0.819 566 A HN 0.224 nan 8.150 nan 0.000 0.442 567 K N -0.518 119.856 120.400 -0.043 0.000 2.026 567 K HA -0.069 4.252 4.320 0.002 0.000 0.208 567 K C 1.811 178.353 176.600 -0.096 0.000 1.048 567 K CA 1.604 57.849 56.287 -0.069 0.000 0.929 567 K CB -0.369 32.108 32.500 -0.037 0.000 0.713 567 K HN 0.516 nan 8.250 nan 0.000 0.439 568 I N 0.547 121.116 120.570 -0.001 0.000 2.252 568 I HA -0.191 3.980 4.170 0.002 0.000 0.245 568 I C 2.505 178.605 176.117 -0.028 0.000 1.102 568 I CA 1.344 62.692 61.300 0.080 0.000 1.385 568 I CB -0.563 37.582 38.000 0.242 0.000 1.064 568 I HN 0.293 nan 8.210 nan 0.000 0.414 569 G N 0.925 109.696 108.800 -0.048 0.000 2.421 569 G HA2 -0.271 3.690 3.960 0.002 0.000 0.216 569 G HA3 -0.271 3.690 3.960 0.002 0.000 0.216 569 G C 1.640 176.453 174.900 -0.144 0.000 1.171 569 G CA 0.677 45.722 45.100 -0.092 0.000 0.775 569 G HN 0.255 nan 8.290 nan 0.000 0.543 570 L N 1.440 122.569 121.223 -0.157 0.000 2.046 570 L HA 0.111 4.452 4.340 0.002 0.000 0.208 570 L C 3.048 179.777 176.870 -0.235 0.000 1.077 570 L CA 2.136 56.864 54.840 -0.186 0.000 0.747 570 L CB -0.718 41.245 42.059 -0.161 0.000 0.896 570 L HN 0.243 nan 8.230 nan 0.000 0.432 571 A N -1.218 121.394 122.820 -0.346 0.000 1.933 571 A HA -0.265 4.056 4.320 0.002 0.000 0.218 571 A C 2.193 179.547 177.584 -0.383 0.000 1.175 571 A CA 1.790 53.467 52.037 -0.601 0.000 0.628 571 A CB -0.567 17.603 19.000 -1.383 0.000 0.814 571 A HN 0.652 nan 8.150 nan 0.000 0.444 572 Q N -0.475 119.204 119.800 -0.201 0.000 2.170 572 Q HA -0.093 4.248 4.340 0.002 0.000 0.203 572 Q C 1.976 177.958 176.000 -0.031 0.000 0.976 572 Q CA 1.457 57.224 55.803 -0.060 0.000 0.858 572 Q CB -0.301 28.381 28.738 -0.092 0.000 0.907 572 Q HN 0.718 nan 8.270 nan 0.000 0.433 573 L N 0.086 121.263 121.223 -0.077 0.000 2.131 573 L HA -0.108 4.233 4.340 0.002 0.000 0.206 573 L C 2.183 179.101 176.870 0.080 0.000 1.087 573 L CA 0.551 55.384 54.840 -0.011 0.000 0.767 573 L CB -0.416 41.468 42.059 -0.291 0.000 0.917 573 L HN 0.055 nan 8.230 nan 0.000 0.441 574 K N 0.847 121.227 120.400 -0.033 0.000 2.044 574 K HA -0.155 4.166 4.320 0.002 0.000 0.210 574 K C 2.124 178.732 176.600 0.013 0.000 1.049 574 K CA 1.374 57.647 56.287 -0.024 0.000 0.927 574 K CB -0.757 31.680 32.500 -0.106 0.000 0.713 574 K HN 0.291 nan 8.250 nan 0.000 0.443 575 L N 1.248 122.476 121.223 0.009 0.000 2.013 575 L HA -0.276 4.065 4.340 0.002 0.000 0.212 575 L C 2.677 179.581 176.870 0.056 0.000 1.073 575 L CA 1.587 56.457 54.840 0.051 0.000 0.753 575 L CB -0.528 41.585 42.059 0.089 0.000 0.890 575 L HN 0.325 nan 8.230 nan 0.000 0.432 576 Q N -0.336 119.514 119.800 0.084 0.000 2.170 576 Q HA -0.189 4.152 4.340 0.002 0.000 0.203 576 Q C 1.852 177.857 176.000 0.009 0.000 0.976 576 Q CA 1.535 57.375 55.803 0.061 0.000 0.858 576 Q CB -0.112 28.703 28.738 0.128 0.000 0.907 576 Q HN 0.646 nan 8.270 nan 0.000 0.433 577 M N -0.893 118.749 119.600 0.070 0.000 2.551 577 M HA 0.275 4.756 4.480 0.002 0.000 0.252 577 M C -0.213 176.097 176.300 0.017 0.000 1.219 577 M CA 0.377 55.691 55.300 0.024 0.000 0.978 577 M CB 0.323 32.978 32.600 0.091 0.000 1.533 577 M HN -0.042 nan 8.290 nan 0.000 0.474 578 E N 2.157 122.367 120.200 0.017 0.000 2.476 578 E HA -0.181 4.170 4.350 0.002 0.000 0.251 578 E C -1.158 175.451 176.600 0.015 0.000 1.130 578 E CA 1.005 57.414 56.400 0.015 0.000 0.736 578 E CB -1.647 28.056 29.700 0.005 0.000 1.298 578 E HN 0.752 nan 8.360 nan 0.000 0.400 579 K N 0.685 121.093 120.400 0.014 0.000 2.559 579 K HA 0.303 4.624 4.320 0.002 0.000 0.236 579 K C 1.080 177.679 176.600 -0.002 0.000 1.185 579 K CA -0.088 56.200 56.287 0.002 0.000 1.157 579 K CB 0.139 32.635 32.500 -0.007 0.000 1.782 579 K HN 0.320 nan 8.250 nan 0.000 0.419 580 I N 0.372 120.952 120.570 0.016 0.000 2.286 580 I HA -0.259 3.912 4.170 0.002 0.000 0.245 580 I C 1.350 177.484 176.117 0.030 0.000 1.104 580 I CA 1.006 62.327 61.300 0.035 0.000 1.397 580 I CB 0.026 38.058 38.000 0.053 0.000 1.072 580 I HN 0.410 nan 8.210 nan 0.000 0.417 581 D N 1.061 121.472 120.400 0.019 0.000 2.123 581 D HA -0.191 4.450 4.640 0.002 0.000 0.196 581 D C 2.073 178.368 176.300 -0.008 0.000 0.992 581 D CA 1.341 55.349 54.000 0.014 0.000 0.833 581 D CB -0.220 40.585 40.800 0.009 0.000 0.954 581 D HN 0.432 nan 8.370 nan 0.000 0.455 582 E N 0.717 120.899 120.200 -0.030 0.000 2.047 582 E HA -0.110 4.241 4.350 0.002 0.000 0.191 582 E C 2.174 178.697 176.600 -0.127 0.000 0.987 582 E CA 0.898 57.259 56.400 -0.065 0.000 0.799 582 E CB -0.075 29.585 29.700 -0.067 0.000 0.752 582 E HN 0.179 nan 8.360 nan 0.000 0.449 583 A N 1.443 124.170 122.820 -0.155 0.000 1.884 583 A HA -0.264 4.056 4.320 0.002 0.000 0.219 583 A C 2.213 179.635 177.584 -0.270 0.000 1.197 583 A CA 1.667 53.506 52.037 -0.330 0.000 0.637 583 A CB -0.881 18.014 19.000 -0.176 0.000 0.827 583 A HN 0.187 nan 8.150 nan 0.000 0.450 584 I N -0.916 119.665 120.570 0.017 0.000 2.163 584 I HA -0.287 3.884 4.170 0.002 0.000 0.243 584 I C 2.636 178.811 176.117 0.096 0.000 1.085 584 I CA 1.942 63.338 61.300 0.160 0.000 1.347 584 I CB -0.377 37.697 38.000 0.125 0.000 1.044 584 I HN 0.564 nan 8.210 nan 0.000 0.408 585 E N 1.185 121.393 120.200 0.014 0.000 2.051 585 E HA -0.230 4.121 4.350 0.002 0.000 0.192 585 E C 2.370 178.961 176.600 -0.016 0.000 0.991 585 E CA 1.242 57.644 56.400 0.003 0.000 0.799 585 E CB -0.035 29.655 29.700 -0.018 0.000 0.748 585 E HN 0.435 nan 8.360 nan 0.000 0.449 586 L N -0.046 121.116 121.223 -0.103 0.000 2.046 586 L HA -0.176 4.165 4.340 0.002 0.000 0.208 586 L C 2.390 179.234 176.870 -0.044 0.000 1.077 586 L CA 0.895 55.651 54.840 -0.140 0.000 0.747 586 L CB -0.389 41.489 42.059 -0.301 0.000 0.896 586 L HN 0.173 nan 8.230 nan 0.000 0.432 587 F N 0.372 120.344 119.950 0.037 0.000 2.102 587 F HA -0.183 4.345 4.527 0.002 0.000 0.298 587 F C 2.597 178.434 175.800 0.062 0.000 1.105 587 F CA 1.171 59.218 58.000 0.079 0.000 1.239 587 F CB -0.694 38.377 39.000 0.117 0.000 0.991 587 F HN 0.100 nan 8.300 nan 0.000 0.474 588 E N -0.127 120.213 120.200 0.234 0.000 2.072 588 E HA -0.184 4.167 4.350 0.002 0.000 0.191 588 E C 1.791 178.444 176.600 0.088 0.000 0.985 588 E CA 1.259 57.740 56.400 0.135 0.000 0.801 588 E CB -0.248 29.511 29.700 0.098 0.000 0.750 588 E HN 0.315 nan 8.360 nan 0.000 0.452 589 D N 0.497 120.938 120.400 0.068 0.000 2.123 589 D HA -0.108 4.533 4.640 0.002 0.000 0.196 589 D C 2.060 178.389 176.300 0.048 0.000 0.992 589 D CA 0.952 54.976 54.000 0.041 0.000 0.833 589 D CB -0.235 40.575 40.800 0.018 0.000 0.954 589 D HN -0.038 nan 8.370 nan 0.000 0.455 590 S N 0.324 116.072 115.700 0.080 0.000 2.382 590 S HA -0.130 4.341 4.470 0.002 0.000 0.228 590 S C 2.086 176.731 174.600 0.075 0.000 1.027 590 S CA 1.056 59.310 58.200 0.090 0.000 0.991 590 S CB -0.179 63.118 63.200 0.162 0.000 0.823 590 S HN 0.379 nan 8.310 nan 0.000 0.469 591 A N 1.216 124.085 122.820 0.081 0.000 1.933 591 A HA -0.007 4.314 4.320 0.002 0.000 0.218 591 A C 2.041 179.634 177.584 0.016 0.000 1.175 591 A CA 1.068 53.129 52.037 0.040 0.000 0.628 591 A CB -0.612 18.410 19.000 0.037 0.000 0.814 591 A HN 0.489 nan 8.150 nan 0.000 0.444 592 I N -0.436 120.145 120.570 0.020 0.000 2.315 592 I HA -0.216 3.955 4.170 0.002 0.000 0.248 592 I C 2.263 178.376 176.117 -0.007 0.000 1.117 592 I CA 0.899 62.202 61.300 0.005 0.000 1.404 592 I CB -0.230 37.775 38.000 0.009 0.000 1.071 592 I HN 0.277 nan 8.210 nan 0.000 0.419 593 L N 0.662 121.884 121.223 -0.002 0.000 2.093 593 L HA -0.031 4.310 4.340 0.002 0.000 0.208 593 L C 1.590 178.441 176.870 -0.031 0.000 1.085 593 L CA 0.080 54.910 54.840 -0.016 0.000 0.755 593 L CB -0.673 41.382 42.059 -0.007 0.000 0.904 593 L HN 0.160 nan 8.230 nan 0.000 0.435 594 A N 0.117 122.927 122.820 -0.018 0.000 2.561 594 A HA 0.005 4.326 4.320 0.002 0.000 0.234 594 A C 1.239 178.788 177.584 -0.057 0.000 1.055 594 A CA 0.221 52.240 52.037 -0.029 0.000 0.756 594 A CB 0.191 19.182 19.000 -0.015 0.000 0.986 594 A HN 0.281 nan 8.150 nan 0.000 0.505 595 R N 0.280 120.733 120.500 -0.078 0.000 2.074 595 R HA 0.016 4.357 4.340 0.002 0.000 0.218 595 R C 1.060 177.305 176.300 -0.091 0.000 1.137 595 R CA 1.259 57.292 56.100 -0.113 0.000 0.998 595 R CB -0.363 29.830 30.300 -0.179 0.000 0.895 595 R HN 0.915 nan 8.270 nan 0.000 0.442 596 T N -1.037 113.475 114.554 -0.070 0.000 2.899 596 T HA 0.062 4.413 4.350 0.002 0.000 0.295 596 T C 1.469 176.140 174.700 -0.047 0.000 1.033 596 T CA -0.507 61.562 62.100 -0.052 0.000 1.084 596 T CB 1.016 69.863 68.868 -0.035 0.000 0.979 596 T HN -0.125 nan 8.240 nan 0.000 0.532 597 M N 1.090 120.666 119.600 -0.041 0.000 2.106 597 M HA -0.108 4.373 4.480 0.002 0.000 0.259 597 M C 1.559 177.829 176.300 -0.051 0.000 1.068 597 M CA 1.645 56.920 55.300 -0.042 0.000 1.100 597 M CB -1.389 31.191 32.600 -0.034 0.000 1.351 597 M HN 0.717 nan 8.290 nan 0.000 0.404 598 D N 0.076 120.447 120.400 -0.049 0.000 2.144 598 D HA -0.130 4.511 4.640 0.002 0.000 0.199 598 D C 1.982 178.237 176.300 -0.075 0.000 0.984 598 D CA 1.142 55.105 54.000 -0.061 0.000 0.834 598 D CB -0.118 40.653 40.800 -0.047 0.000 0.955 598 D HN 0.484 nan 8.370 nan 0.000 0.465 599 E N 0.301 120.467 120.200 -0.058 0.000 2.107 599 E HA -0.064 4.287 4.350 0.002 0.000 0.191 599 E C 1.992 178.556 176.600 -0.061 0.000 0.982 599 E CA 0.572 56.940 56.400 -0.053 0.000 0.809 599 E CB 0.137 29.819 29.700 -0.029 0.000 0.756 599 E HN 0.198 nan 8.360 nan 0.000 0.459 600 K N 0.598 120.965 120.400 -0.055 0.000 2.032 600 K HA -0.173 4.148 4.320 0.002 0.000 0.209 600 K C 2.211 178.764 176.600 -0.078 0.000 1.048 600 K CA 0.938 57.195 56.287 -0.051 0.000 0.927 600 K CB -0.207 32.267 32.500 -0.044 0.000 0.712 600 K HN 0.035 nan 8.250 nan 0.000 0.441 601 L N 1.825 122.990 121.223 -0.096 0.000 2.046 601 L HA -0.217 4.124 4.340 0.002 0.000 0.208 601 L C 2.495 179.239 176.870 -0.210 0.000 1.077 601 L CA 1.698 56.462 54.840 -0.128 0.000 0.747 601 L CB -0.503 41.486 42.059 -0.115 0.000 0.896 601 L HN 0.219 nan 8.230 nan 0.000 0.432 602 Q N -0.874 118.778 119.800 -0.246 0.000 2.050 602 Q HA -0.223 4.118 4.340 0.002 0.000 0.202 602 Q C 2.115 177.736 176.000 -0.631 0.000 0.980 602 Q CA 1.923 57.453 55.803 -0.456 0.000 0.840 602 Q CB -0.203 28.317 28.738 -0.364 0.000 0.898 602 Q HN 0.642 nan 8.270 nan 0.000 0.424 603 A N -0.004 122.648 122.820 -0.280 0.000 1.898 603 A HA -0.144 4.177 4.320 0.002 0.000 0.216 603 A C 2.206 179.733 177.584 -0.096 0.000 1.181 603 A CA 1.815 53.808 52.037 -0.072 0.000 0.620 603 A CB -0.906 18.147 19.000 0.088 0.000 0.819 603 A HN 0.512 nan 8.150 nan 0.000 0.442 604 T N 0.091 114.579 114.554 -0.110 0.000 2.720 604 T HA -0.145 4.206 4.350 0.002 0.000 0.268 604 T C 1.989 176.606 174.700 -0.137 0.000 1.037 604 T CA 2.000 64.051 62.100 -0.082 0.000 1.144 604 T CB -0.678 68.149 68.868 -0.068 0.000 0.864 604 T HN 0.559 nan 8.240 nan 0.000 0.444 605 T N 1.960 116.366 114.554 -0.247 0.000 2.684 605 T HA -0.065 4.286 4.350 0.002 0.000 0.267 605 T C 1.599 176.156 174.700 -0.237 0.000 1.036 605 T CA 1.086 63.029 62.100 -0.262 0.000 1.148 605 T CB -0.516 68.143 68.868 -0.349 0.000 0.863 605 T HN 0.242 nan 8.240 nan 0.000 0.436 606 F N 1.846 121.554 119.950 -0.404 0.000 2.102 606 F HA 0.051 4.580 4.527 0.002 0.000 0.298 606 F C 2.715 178.114 175.800 -0.669 0.000 1.105 606 F CA 0.237 57.760 58.000 -0.796 0.000 1.239 606 F CB -1.444 36.561 39.000 -1.659 0.000 0.991 606 F HN 0.152 nan 8.300 nan 0.000 0.474 607 A N -0.102 122.611 122.820 -0.178 0.000 1.877 607 A HA -0.165 4.156 4.320 0.002 0.000 0.216 607 A C 2.221 179.849 177.584 0.074 0.000 1.186 607 A CA 1.729 53.829 52.037 0.104 0.000 0.620 607 A CB -0.556 18.534 19.000 0.151 0.000 0.822 607 A HN 0.277 nan 8.150 nan 0.000 0.443 608 E N -0.113 120.096 120.200 0.016 0.000 2.107 608 E HA -0.055 4.296 4.350 0.002 0.000 0.191 608 E C 2.347 178.970 176.600 0.038 0.000 0.982 608 E CA 1.113 57.531 56.400 0.029 0.000 0.809 608 E CB -0.675 29.030 29.700 0.009 0.000 0.756 608 E HN 0.566 nan 8.360 nan 0.000 0.459 609 A N 1.634 124.465 122.820 0.017 0.000 1.908 609 A HA -0.125 4.196 4.320 0.002 0.000 0.218 609 A C 2.409 180.035 177.584 0.069 0.000 1.181 609 A CA 2.194 54.252 52.037 0.036 0.000 0.627 609 A CB -0.552 18.465 19.000 0.028 0.000 0.818 609 A HN 0.268 nan 8.150 nan 0.000 0.445 610 A N -0.436 122.441 122.820 0.094 0.000 1.968 610 A HA -0.078 4.242 4.320 0.002 0.000 0.217 610 A C 2.058 179.714 177.584 0.120 0.000 1.169 610 A CA 1.590 53.714 52.037 0.144 0.000 0.638 610 A CB -0.357 18.806 19.000 0.272 0.000 0.812 610 A HN 0.545 nan 8.150 nan 0.000 0.446 611 K N -0.297 120.168 120.400 0.109 0.000 2.097 611 K HA -0.085 4.236 4.320 0.002 0.000 0.206 611 K C 1.648 178.305 176.600 0.094 0.000 1.049 611 K CA 1.204 57.546 56.287 0.091 0.000 0.933 611 K CB -0.251 32.296 32.500 0.078 0.000 0.717 611 K HN 0.364 nan 8.250 nan 0.000 0.442 612 I N 1.624 122.253 120.570 0.098 0.000 2.252 612 I HA -0.237 3.934 4.170 0.002 0.000 0.245 612 I C 2.319 178.507 176.117 0.120 0.000 1.102 612 I CA 1.438 62.812 61.300 0.122 0.000 1.385 612 I CB -1.117 36.947 38.000 0.107 0.000 1.064 612 I HN 0.219 nan 8.210 nan 0.000 0.414 613 Q N 0.807 120.662 119.800 0.092 0.000 2.061 613 Q HA -0.250 4.090 4.340 0.002 0.000 0.204 613 Q C 2.205 178.256 176.000 0.085 0.000 0.984 613 Q CA 1.542 57.392 55.803 0.078 0.000 0.846 613 Q CB -0.625 28.156 28.738 0.071 0.000 0.902 613 Q HN 0.510 nan 8.270 nan 0.000 0.421 614 K N 0.735 121.187 120.400 0.086 0.000 2.059 614 K HA -0.222 4.099 4.320 0.002 0.000 0.212 614 K C 2.201 178.855 176.600 0.090 0.000 1.050 614 K CA 1.668 58.000 56.287 0.076 0.000 0.927 614 K CB -0.083 32.457 32.500 0.068 0.000 0.714 614 K HN 0.027 nan 8.250 nan 0.000 0.447 615 R N 0.402 120.974 120.500 0.120 0.000 2.075 615 R HA -0.065 4.276 4.340 0.002 0.000 0.232 615 R C 2.422 178.890 176.300 0.280 0.000 1.126 615 R CA 1.283 57.477 56.100 0.157 0.000 0.963 615 R CB -0.168 30.229 30.300 0.163 0.000 0.858 615 R HN 0.222 nan 8.270 nan 0.000 0.435 616 L N 0.316 121.698 121.223 0.266 0.000 2.027 616 L HA -0.140 4.201 4.340 0.002 0.000 0.206 616 L C 2.551 179.490 176.870 0.116 0.000 1.074 616 L CA 1.075 56.027 54.840 0.186 0.000 0.745 616 L CB -0.397 41.678 42.059 0.026 0.000 0.898 616 L HN 0.109 nan 8.230 nan 0.000 0.433 617 R N 0.283 120.834 120.500 0.084 0.000 2.193 617 R HA -0.064 4.277 4.340 0.002 0.000 0.229 617 R C 2.110 178.445 176.300 0.059 0.000 1.110 617 R CA 1.174 57.308 56.100 0.057 0.000 0.988 617 R CB -0.737 29.589 30.300 0.044 0.000 0.871 617 R HN 0.358 nan 8.270 nan 0.000 0.458 618 A N 0.869 123.734 122.820 0.076 0.000 2.119 618 A HA -0.082 4.239 4.320 0.002 0.000 0.217 618 A C 0.677 178.299 177.584 0.063 0.000 1.153 618 A CA 0.367 52.439 52.037 0.059 0.000 0.692 618 A CB -0.047 18.983 19.000 0.051 0.000 0.799 618 A HN 0.065 nan 8.150 nan 0.000 0.458 619 D N -0.282 120.174 120.400 0.093 0.000 2.359 619 D HA 0.234 4.875 4.640 0.002 0.000 0.230 619 D C -1.759 174.575 176.300 0.056 0.000 1.118 619 D CA -2.094 51.959 54.000 0.088 0.000 0.844 619 D CB 1.543 42.434 40.800 0.153 0.000 1.059 619 D HN 0.057 nan 8.370 nan 0.000 0.493 620 P HA -0.105 nan 4.420 nan 0.000 0.220 620 P C 1.731 179.044 177.300 0.021 0.000 1.148 620 P CA 0.368 63.483 63.100 0.025 0.000 0.803 620 P CB 0.689 32.400 31.700 0.019 0.000 0.782 621 I N -0.251 120.334 120.570 0.025 0.000 2.202 621 I HA -0.156 4.015 4.170 0.002 0.000 0.242 621 I C 2.642 178.765 176.117 0.010 0.000 1.091 621 I CA 1.075 62.386 61.300 0.018 0.000 1.368 621 I CB -1.156 36.857 38.000 0.023 0.000 1.058 621 I HN -0.084 nan 8.210 nan 0.000 0.410 622 I N 0.341 120.919 120.570 0.014 0.000 2.163 622 I HA -0.341 3.830 4.170 0.002 0.000 0.243 622 I C 2.836 178.945 176.117 -0.012 0.000 1.085 622 I CA 1.644 62.935 61.300 -0.013 0.000 1.347 622 I CB -0.416 37.570 38.000 -0.024 0.000 1.044 622 I HN 0.202 nan 8.210 nan 0.000 0.408 623 S N 0.400 116.103 115.700 0.006 0.000 2.368 623 S HA -0.183 4.288 4.470 0.002 0.000 0.225 623 S C 2.211 176.811 174.600 -0.001 0.000 1.030 623 S CA 1.407 59.610 58.200 0.005 0.000 0.999 623 S CB -0.239 62.969 63.200 0.015 0.000 0.844 623 S HN 0.476 nan 8.310 nan 0.000 0.459 624 A N 1.334 124.155 122.820 0.001 0.000 1.908 624 A HA -0.124 4.197 4.320 0.002 0.000 0.218 624 A C 2.120 179.701 177.584 -0.005 0.000 1.181 624 A CA 1.729 53.765 52.037 -0.001 0.000 0.627 624 A CB -0.571 18.430 19.000 0.001 0.000 0.818 624 A HN 0.634 nan 8.150 nan 0.000 0.445 625 K N -0.957 119.438 120.400 -0.008 0.000 2.148 625 K HA -0.019 4.302 4.320 0.002 0.000 0.204 625 K C 1.918 178.509 176.600 -0.015 0.000 1.050 625 K CA 1.451 57.730 56.287 -0.012 0.000 0.942 625 K CB -0.268 32.221 32.500 -0.018 0.000 0.724 625 K HN 0.511 nan 8.250 nan 0.000 0.446 626 M N 0.922 120.511 119.600 -0.018 0.000 2.358 626 M HA -0.100 4.381 4.480 0.002 0.000 0.264 626 M C 0.477 176.770 176.300 -0.012 0.000 1.064 626 M CA 1.062 56.351 55.300 -0.018 0.000 1.093 626 M CB -0.007 32.582 32.600 -0.018 0.000 1.401 626 M HN 0.020 nan 8.290 nan 0.000 0.440 627 E N 0.000 120.194 120.200 -0.010 0.000 2.725 627 E HA 0.000 4.351 4.350 0.002 0.000 0.291 627 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 627 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 627 E HN 0.000 nan 8.360 nan 0.000 0.440