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 2wza_1_A DATA FIRST_RESID 1076 DATA SEQUENCE NYIKPTKVNK NKEGLNIDGK EVLAGSTNYY ELTWDLDQYK GDKSSKEAIQ DATA SEQUENCE NGFYYVDDYP EEALDVRPDL VKVADEKGNQ VSGVSVQQYD SLEAAPKKVQ DATA SEQUENCE DLLKKANITV KGAFQLFSAD NPEEFYKQYV ATGTSLVITD PMTVKSEFGK DATA SEQUENCE TGGKYENKAY QIDFGNGYAT EVVVNNVPKI TPKKDVTVSL DPTSENLDGQ DATA SEQUENCE TVQLYQTFNY RLIGGLIPQN HSEELEDYSF VDDYDQAGDQ YTGNYKTFSS DATA SEQUENCE LNLTMKDGSV IKAGTDLTSQ TTAETDATNG IVTVRFKEDF LQKISLDSPF DATA SEQUENCE QAETYLQMRR IAIGTFENTY VNTVNKVAYA SNTVRTTT 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 1076 N HA 0.000 nan 4.740 nan 0.000 0.220 1076 N C 0.000 175.450 175.510 -0.101 0.000 1.280 1076 N CA 0.000 53.099 53.050 0.081 0.000 0.885 1076 N CB 0.000 38.495 38.487 0.013 0.000 1.341 1077 Y N 0.088 120.363 120.300 -0.041 0.000 2.476 1077 Y HA 0.422 4.906 4.550 -0.111 0.000 0.283 1077 Y C 1.042 176.858 175.900 -0.140 0.000 1.109 1077 Y CA 0.252 58.309 58.100 -0.073 0.000 1.246 1077 Y CB 0.458 38.881 38.460 -0.062 0.000 1.068 1077 Y HN 0.181 nan 8.280 nan 0.000 0.552 1078 I N 1.531 122.061 120.570 -0.066 0.000 2.306 1078 I HA 0.236 4.340 4.170 -0.111 0.000 0.288 1078 I C 0.040 176.057 176.117 -0.167 0.000 1.036 1078 I CA -0.314 60.833 61.300 -0.254 0.000 1.221 1078 I CB 0.854 38.475 38.000 -0.632 0.000 1.385 1078 I HN -0.159 nan 8.210 nan 0.000 0.472 1079 K N 9.041 129.402 120.400 -0.066 0.000 2.752 1079 K HA 0.379 4.633 4.320 -0.111 0.000 0.199 1079 K C -2.648 173.975 176.600 0.038 0.000 1.069 1079 K CA -1.512 54.775 56.287 -0.001 0.000 1.033 1079 K CB 1.393 33.902 32.500 0.016 0.000 1.229 1079 K HN 0.213 nan 8.250 nan 0.000 0.572 1080 P HA 0.019 nan 4.420 nan 0.000 0.269 1080 P C -0.571 176.776 177.300 0.077 0.000 1.215 1080 P CA 0.069 63.236 63.100 0.112 0.000 0.780 1080 P CB 1.101 32.842 31.700 0.069 0.000 0.898 1081 T N -1.408 113.203 114.554 0.096 0.000 2.906 1081 T HA 0.602 4.886 4.350 -0.111 0.000 0.295 1081 T C -0.881 173.854 174.700 0.060 0.000 1.061 1081 T CA -0.943 61.190 62.100 0.056 0.000 1.000 1081 T CB 2.205 71.100 68.868 0.045 0.000 1.103 1081 T HN 0.471 nan 8.240 nan 0.000 0.486 1082 K N 1.592 122.012 120.400 0.033 0.000 2.443 1082 K HA 0.677 4.930 4.320 -0.111 0.000 0.252 1082 K C -1.003 175.633 176.600 0.059 0.000 0.933 1082 K CA -0.867 55.442 56.287 0.036 0.000 0.792 1082 K CB 1.919 34.413 32.500 -0.011 0.000 1.185 1082 K HN 0.784 nan 8.250 nan 0.000 0.425 1083 V N 0.178 120.152 119.914 0.100 0.000 3.001 1083 V HA 0.615 4.669 4.120 -0.111 0.000 0.314 1083 V C -1.058 175.174 176.094 0.230 0.000 1.099 1083 V CA -1.049 61.327 62.300 0.126 0.000 0.989 1083 V CB 1.806 33.679 31.823 0.082 0.000 1.040 1083 V HN 0.817 nan 8.190 nan 0.000 0.434 1084 N N 1.840 120.670 118.700 0.216 0.000 2.430 1084 N HA 0.537 5.211 4.740 -0.111 0.000 0.292 1084 N C -0.841 174.716 175.510 0.079 0.000 1.051 1084 N CA -0.451 52.705 53.050 0.176 0.000 0.917 1084 N CB 1.590 40.160 38.487 0.138 0.000 1.164 1084 N HN 0.878 nan 8.380 nan 0.000 0.484 1085 K N 1.007 121.445 120.400 0.064 0.000 2.395 1085 K HA 0.396 4.650 4.320 -0.111 0.000 0.247 1085 K C -0.422 176.251 176.600 0.122 0.000 0.973 1085 K CA -0.986 55.343 56.287 0.070 0.000 0.828 1085 K CB 1.156 33.691 32.500 0.058 0.000 1.272 1085 K HN 0.689 nan 8.250 nan 0.000 0.439 1086 N N 0.325 119.072 118.700 0.079 0.000 2.447 1086 N HA 0.059 4.733 4.740 -0.111 0.000 0.271 1086 N C 0.637 176.095 175.510 -0.086 0.000 1.226 1086 N CA -0.555 52.568 53.050 0.121 0.000 0.980 1086 N CB 0.539 39.061 38.487 0.058 0.000 1.206 1086 N HN 0.446 nan 8.380 nan 0.000 0.558 1087 K N -0.446 119.824 120.400 -0.217 0.000 2.144 1087 K HA -0.193 4.061 4.320 -0.111 0.000 0.209 1087 K C 0.793 177.172 176.600 -0.370 0.000 1.047 1087 K CA 1.682 57.595 56.287 -0.623 0.000 0.927 1087 K CB -0.145 32.204 32.500 -0.253 0.000 0.716 1087 K HN 0.576 nan 8.250 nan 0.000 0.454 1088 E N -1.002 119.087 120.200 -0.186 0.000 2.502 1088 E HA 0.087 4.371 4.350 -0.111 0.000 0.194 1088 E C 0.883 177.417 176.600 -0.110 0.000 1.062 1088 E CA 0.784 57.108 56.400 -0.127 0.000 0.867 1088 E CB 0.209 29.864 29.700 -0.076 0.000 0.888 1088 E HN 0.546 nan 8.360 nan 0.000 0.510 1089 G N 1.613 110.340 108.800 -0.121 0.000 2.132 1089 G HA2 -0.278 3.616 3.960 -0.111 0.000 0.234 1089 G HA3 -0.278 3.616 3.960 -0.111 0.000 0.234 1089 G C -0.017 174.860 174.900 -0.039 0.000 0.989 1089 G CA 0.325 45.380 45.100 -0.076 0.000 0.676 1089 G HN 0.262 nan 8.290 nan 0.000 0.522 1090 L N 1.214 122.417 121.223 -0.033 0.000 2.349 1090 L HA 0.527 4.801 4.340 -0.111 0.000 0.275 1090 L C 0.632 177.501 176.870 -0.002 0.000 1.115 1090 L CA -0.941 53.888 54.840 -0.019 0.000 0.820 1090 L CB 0.819 42.863 42.059 -0.024 0.000 1.135 1090 L HN 0.231 nan 8.230 nan 0.000 0.445 1091 N N 5.332 124.033 118.700 0.002 0.000 2.440 1091 N HA -0.004 4.669 4.740 -0.111 0.000 0.265 1091 N C 0.214 175.730 175.510 0.011 0.000 1.239 1091 N CA 0.245 53.304 53.050 0.015 0.000 0.909 1091 N CB 0.388 38.883 38.487 0.014 0.000 1.066 1091 N HN 0.727 nan 8.380 nan 0.000 0.474 1092 I N -0.583 120.001 120.570 0.022 0.000 3.707 1092 I HA 0.343 4.447 4.170 -0.111 0.000 0.330 1092 I C -0.683 175.447 176.117 0.021 0.000 1.572 1092 I CA -0.791 60.519 61.300 0.016 0.000 1.104 1092 I CB 0.140 38.152 38.000 0.019 0.000 1.240 1092 I HN 0.016 nan 8.210 nan 0.000 0.475 1093 D N 2.882 123.300 120.400 0.030 0.000 2.493 1093 D HA 0.244 4.818 4.640 -0.111 0.000 0.240 1093 D C 1.472 177.777 176.300 0.008 0.000 1.142 1093 D CA 1.647 55.668 54.000 0.034 0.000 0.872 1093 D CB 1.239 42.060 40.800 0.036 0.000 1.173 1093 D HN 0.599 nan 8.370 nan 0.000 0.467 1094 G N 1.943 110.738 108.800 -0.008 0.000 2.184 1094 G HA2 -0.316 3.578 3.960 -0.111 0.000 0.264 1094 G HA3 -0.316 3.578 3.960 -0.111 0.000 0.264 1094 G C 0.465 175.350 174.900 -0.023 0.000 0.975 1094 G CA 0.305 45.391 45.100 -0.023 0.000 0.642 1094 G HN 0.493 nan 8.290 nan 0.000 0.536 1095 K N 0.591 120.981 120.400 -0.017 0.000 2.090 1095 K HA 0.382 4.636 4.320 -0.111 0.000 0.250 1095 K C 0.288 176.893 176.600 0.007 0.000 1.004 1095 K CA -0.655 55.631 56.287 -0.002 0.000 0.919 1095 K CB 0.681 33.182 32.500 0.003 0.000 1.045 1095 K HN 0.198 nan 8.250 nan 0.000 0.471 1096 E N 1.479 121.705 120.200 0.043 0.000 2.344 1096 E HA 0.088 4.372 4.350 -0.111 0.000 0.270 1096 E C -0.660 176.003 176.600 0.105 0.000 1.021 1096 E CA -0.024 56.422 56.400 0.077 0.000 0.887 1096 E CB 1.065 30.829 29.700 0.108 0.000 0.997 1096 E HN 0.130 nan 8.360 nan 0.000 0.429 1097 V N 5.052 125.038 119.914 0.120 0.000 2.443 1097 V HA 0.220 4.274 4.120 -0.111 0.000 0.293 1097 V C 0.321 176.509 176.094 0.156 0.000 1.021 1097 V CA -0.697 61.687 62.300 0.141 0.000 0.848 1097 V CB 1.324 33.253 31.823 0.176 0.000 0.998 1097 V HN 0.518 nan 8.190 nan 0.000 0.424 1098 L N 3.905 125.206 121.223 0.129 0.000 2.456 1098 L HA 0.406 4.679 4.340 -0.111 0.000 0.272 1098 L C 1.182 178.135 176.870 0.139 0.000 1.189 1098 L CA -0.009 54.910 54.840 0.132 0.000 0.846 1098 L CB 0.586 42.708 42.059 0.104 0.000 1.111 1098 L HN 0.800 nan 8.230 nan 0.000 0.475 1099 A N 2.452 125.386 122.820 0.189 0.000 2.587 1099 A HA 0.346 4.600 4.320 -0.111 0.000 0.235 1099 A C 1.293 178.930 177.584 0.088 0.000 1.044 1099 A CA 0.695 52.826 52.037 0.157 0.000 0.754 1099 A CB -0.282 18.853 19.000 0.224 0.000 0.968 1099 A HN 1.172 nan 8.150 nan 0.000 0.509 1100 G N 1.460 110.274 108.800 0.025 0.000 2.217 1100 G HA2 -0.212 3.681 3.960 -0.111 0.000 0.246 1100 G HA3 -0.212 3.681 3.960 -0.111 0.000 0.246 1100 G C 0.570 175.465 174.900 -0.009 0.000 0.990 1100 G CA 0.449 45.546 45.100 -0.003 0.000 0.627 1100 G HN 1.233 nan 8.290 nan 0.000 0.522 1101 S N 0.654 116.355 115.700 0.003 0.000 2.592 1101 S HA 0.612 5.015 4.470 -0.111 0.000 0.271 1101 S C 0.412 174.964 174.600 -0.080 0.000 1.326 1101 S CA 0.372 58.571 58.200 -0.001 0.000 1.024 1101 S CB 1.435 64.658 63.200 0.037 0.000 0.921 1101 S HN 0.410 nan 8.310 nan 0.000 0.527 1102 T N 3.346 117.831 114.554 -0.115 0.000 2.829 1102 T HA 0.313 4.597 4.350 -0.111 0.000 0.282 1102 T C -0.206 174.241 174.700 -0.421 0.000 0.990 1102 T CA -0.758 61.128 62.100 -0.357 0.000 1.028 1102 T CB 0.421 68.918 68.868 -0.617 0.000 0.951 1102 T HN 0.447 nan 8.240 nan 0.000 0.460 1103 N N 2.727 121.121 118.700 -0.509 0.000 2.462 1103 N HA 0.154 4.827 4.740 -0.111 0.000 0.242 1103 N C -1.029 174.082 175.510 -0.665 0.000 1.010 1103 N CA -0.176 52.529 53.050 -0.576 0.000 0.939 1103 N CB 0.847 38.846 38.487 -0.815 0.000 1.127 1103 N HN 0.584 nan 8.380 nan 0.000 0.509 1104 Y N 2.169 122.308 120.300 -0.268 0.000 2.767 1104 Y HA 0.161 4.644 4.550 -0.112 0.000 0.354 1104 Y C 0.040 175.899 175.900 -0.068 0.000 1.292 1104 Y CA -0.614 57.407 58.100 -0.131 0.000 1.749 1104 Y CB -0.629 37.789 38.460 -0.069 0.000 1.841 1104 Y HN 0.391 nan 8.280 nan 0.000 0.454 1105 Y N 0.902 121.248 120.300 0.076 0.000 2.610 1105 Y HA 0.045 4.529 4.550 -0.109 0.000 0.332 1105 Y C 0.711 176.639 175.900 0.046 0.000 1.201 1105 Y CA -0.334 57.803 58.100 0.061 0.000 1.465 1105 Y CB 0.387 38.876 38.460 0.047 0.000 1.283 1105 Y HN 0.365 nan 8.280 nan 0.000 0.563 1106 E N 3.772 124.097 120.200 0.208 0.000 2.191 1106 E HA 0.476 4.759 4.350 -0.111 0.000 0.263 1106 E C -1.646 174.976 176.600 0.037 0.000 0.881 1106 E CA -0.602 55.851 56.400 0.088 0.000 0.757 1106 E CB 0.819 30.560 29.700 0.068 0.000 1.147 1106 E HN 0.538 nan 8.360 nan 0.000 0.414 1107 L N 3.134 124.319 121.223 -0.064 0.000 2.307 1107 L HA 0.493 4.767 4.340 -0.111 0.000 0.284 1107 L C 0.217 176.982 176.870 -0.174 0.000 1.023 1107 L CA -0.900 53.854 54.840 -0.143 0.000 0.810 1107 L CB 1.569 43.399 42.059 -0.382 0.000 1.231 1107 L HN 0.492 nan 8.230 nan 0.000 0.423 1108 T N -1.996 112.539 114.554 -0.032 0.000 2.829 1108 T HA 0.323 4.607 4.350 -0.111 0.000 0.282 1108 T C -0.862 173.947 174.700 0.182 0.000 0.990 1108 T CA -0.575 61.547 62.100 0.036 0.000 1.028 1108 T CB 1.522 70.430 68.868 0.066 0.000 0.951 1108 T HN 0.484 nan 8.240 nan 0.000 0.460 1109 W N 4.117 125.427 121.300 0.017 0.000 2.283 1109 W HA 0.385 4.978 4.660 -0.110 0.000 0.317 1109 W C -0.900 175.697 176.519 0.130 0.000 1.042 1109 W CA -1.233 56.226 57.345 0.189 0.000 1.348 1109 W CB 0.583 30.111 29.460 0.113 0.000 1.216 1109 W HN 0.825 nan 8.180 nan 0.000 0.404 1110 D N 5.253 125.940 120.400 0.478 0.000 2.380 1110 D HA 0.189 4.762 4.640 -0.111 0.000 0.230 1110 D C 0.386 176.781 176.300 0.160 0.000 1.154 1110 D CA 0.139 54.268 54.000 0.215 0.000 0.859 1110 D CB 0.599 41.460 40.800 0.103 0.000 1.045 1110 D HN 0.455 nan 8.370 nan 0.000 0.495 1111 L N 2.500 123.778 121.223 0.092 0.000 2.817 1111 L HA 0.117 4.390 4.340 -0.111 0.000 0.248 1111 L C 1.496 178.353 176.870 -0.023 0.000 1.133 1111 L CA -0.074 54.818 54.840 0.086 0.000 0.935 1111 L CB 0.305 42.410 42.059 0.075 0.000 1.266 1111 L HN 0.346 nan 8.230 nan 0.000 0.535 1112 D N 0.482 120.849 120.400 -0.055 0.000 2.149 1112 D HA -0.289 4.284 4.640 -0.111 0.000 0.198 1112 D C 1.900 178.154 176.300 -0.077 0.000 0.990 1112 D CA 1.292 55.261 54.000 -0.053 0.000 0.839 1112 D CB -0.296 40.477 40.800 -0.045 0.000 0.948 1112 D HN 0.361 nan 8.370 nan 0.000 0.460 1113 Q N -0.035 119.665 119.800 -0.167 0.000 2.437 1113 Q HA -0.184 4.090 4.340 -0.111 0.000 0.210 1113 Q C 1.080 177.044 176.000 -0.060 0.000 0.972 1113 Q CA 0.866 56.574 55.803 -0.159 0.000 0.903 1113 Q CB -0.855 27.761 28.738 -0.204 0.000 0.967 1113 Q HN 0.399 nan 8.270 nan 0.000 0.486 1114 Y N 1.434 121.777 120.300 0.073 0.000 2.544 1114 Y HA 0.192 4.676 4.550 -0.111 0.000 0.286 1114 Y C 0.948 176.873 175.900 0.042 0.000 1.141 1114 Y CA -0.489 57.676 58.100 0.109 0.000 1.299 1114 Y CB -0.177 38.391 38.460 0.180 0.000 1.030 1114 Y HN 0.051 nan 8.280 nan 0.000 0.543 1115 K N 0.510 120.985 120.400 0.124 0.000 2.472 1115 K HA 0.196 4.450 4.320 -0.111 0.000 0.280 1115 K C 1.259 177.880 176.600 0.035 0.000 1.028 1115 K CA 1.052 57.360 56.287 0.036 0.000 1.045 1115 K CB -0.161 32.335 32.500 -0.006 0.000 0.902 1115 K HN 0.492 nan 8.250 nan 0.000 0.478 1116 G N 3.131 111.938 108.800 0.011 0.000 2.184 1116 G HA2 -0.233 3.660 3.960 -0.111 0.000 0.264 1116 G HA3 -0.233 3.660 3.960 -0.111 0.000 0.264 1116 G C -0.343 174.593 174.900 0.060 0.000 0.975 1116 G CA 0.424 45.536 45.100 0.020 0.000 0.642 1116 G HN 0.746 nan 8.290 nan 0.000 0.536 1117 D N 0.752 121.215 120.400 0.105 0.000 2.344 1117 D HA 0.552 5.126 4.640 -0.111 0.000 0.244 1117 D C 0.733 177.136 176.300 0.171 0.000 1.134 1117 D CA 0.196 54.276 54.000 0.133 0.000 0.930 1117 D CB 0.929 41.836 40.800 0.179 0.000 1.175 1117 D HN 0.602 nan 8.370 nan 0.000 0.437 1118 K N -0.797 119.684 120.400 0.136 0.000 2.207 1118 K HA 0.764 5.017 4.320 -0.111 0.000 0.255 1118 K C -0.891 175.749 176.600 0.067 0.000 0.941 1118 K CA -0.822 55.556 56.287 0.151 0.000 0.825 1118 K CB 1.661 34.218 32.500 0.095 0.000 1.119 1118 K HN 0.074 nan 8.250 nan 0.000 0.430 1119 S N 0.585 116.293 115.700 0.014 0.000 2.536 1119 S HA 0.447 4.851 4.470 -0.111 0.000 0.287 1119 S C -0.885 173.621 174.600 -0.156 0.000 1.101 1119 S CA -1.104 57.004 58.200 -0.154 0.000 0.950 1119 S CB 1.520 64.535 63.200 -0.308 0.000 1.056 1119 S HN 0.776 nan 8.310 nan 0.000 0.481 1120 S N 1.819 117.443 115.700 -0.127 0.000 2.566 1120 S HA 0.117 4.521 4.470 -0.111 0.000 0.280 1120 S C 0.937 175.482 174.600 -0.093 0.000 1.343 1120 S CA -0.227 57.922 58.200 -0.085 0.000 1.036 1120 S CB 0.254 63.417 63.200 -0.061 0.000 0.866 1120 S HN 0.674 nan 8.310 nan 0.000 0.526 1121 K N 1.767 122.130 120.400 -0.062 0.000 2.127 1121 K HA -0.197 4.056 4.320 -0.111 0.000 0.208 1121 K C 2.167 178.756 176.600 -0.018 0.000 1.047 1121 K CA 2.203 58.466 56.287 -0.039 0.000 0.927 1121 K CB -0.263 32.228 32.500 -0.015 0.000 0.716 1121 K HN 0.765 nan 8.250 nan 0.000 0.450 1122 E N 0.197 120.386 120.200 -0.018 0.000 2.051 1122 E HA -0.204 4.080 4.350 -0.111 0.000 0.192 1122 E C 2.106 178.710 176.600 0.007 0.000 0.991 1122 E CA 1.212 57.608 56.400 -0.006 0.000 0.799 1122 E CB -0.151 29.543 29.700 -0.010 0.000 0.748 1122 E HN 0.399 nan 8.360 nan 0.000 0.449 1123 A N 1.155 123.974 122.820 -0.002 0.000 1.877 1123 A HA -0.200 4.053 4.320 -0.111 0.000 0.216 1123 A C 2.205 179.908 177.584 0.198 0.000 1.186 1123 A CA 1.284 53.353 52.037 0.054 0.000 0.620 1123 A CB -0.738 18.202 19.000 -0.101 0.000 0.822 1123 A HN 0.180 nan 8.150 nan 0.000 0.443 1124 I N -0.541 120.123 120.570 0.157 0.000 2.248 1124 I HA -0.287 3.817 4.170 -0.111 0.000 0.248 1124 I C 2.429 178.546 176.117 -0.001 0.000 1.107 1124 I CA 1.245 62.630 61.300 0.141 0.000 1.373 1124 I CB -0.392 37.629 38.000 0.035 0.000 1.055 1124 I HN 0.322 nan 8.210 nan 0.000 0.418 1125 Q N 0.482 120.291 119.800 0.015 0.000 2.364 1125 Q HA -0.097 4.176 4.340 -0.111 0.000 0.207 1125 Q C 1.644 177.636 176.000 -0.014 0.000 0.970 1125 Q CA 0.833 56.642 55.803 0.009 0.000 0.888 1125 Q CB -0.501 28.250 28.738 0.022 0.000 0.951 1125 Q HN 0.531 nan 8.270 nan 0.000 0.469 1126 N N 0.285 118.964 118.700 -0.035 0.000 2.512 1126 N HA -0.025 4.649 4.740 -0.111 0.000 0.183 1126 N C 0.789 176.253 175.510 -0.076 0.000 1.073 1126 N CA 1.000 54.036 53.050 -0.023 0.000 0.911 1126 N CB 0.175 38.670 38.487 0.013 0.000 0.964 1126 N HN 0.286 nan 8.380 nan 0.000 0.447 1127 G N 0.262 108.855 108.800 -0.345 0.000 2.782 1127 G HA2 -0.222 3.671 3.960 -0.111 0.000 0.228 1127 G HA3 -0.222 3.671 3.960 -0.111 0.000 0.228 1127 G C -1.097 173.184 174.900 -1.032 0.000 1.372 1127 G CA -0.663 44.102 45.100 -0.559 0.000 0.862 1127 G HN 0.150 nan 8.290 nan 0.000 0.547 1128 F N -0.109 119.585 119.950 -0.427 0.000 2.579 1128 F HA 0.712 5.172 4.527 -0.111 0.000 0.325 1128 F C -0.076 175.531 175.800 -0.323 0.000 1.162 1128 F CA -0.665 57.209 58.000 -0.209 0.000 0.946 1128 F CB 1.883 40.673 39.000 -0.351 0.000 1.211 1128 F HN 0.557 nan 8.300 nan 0.000 0.447 1129 Y N 1.110 121.669 120.300 0.432 0.000 2.581 1129 Y HA 0.574 5.058 4.550 -0.111 0.000 0.345 1129 Y C -1.417 174.435 175.900 -0.080 0.000 1.036 1129 Y CA -1.587 56.666 58.100 0.257 0.000 1.042 1129 Y CB 2.303 40.846 38.460 0.139 0.000 1.289 1129 Y HN 0.511 nan 8.280 nan 0.000 0.471 1130 Y N 0.882 121.131 120.300 -0.084 0.000 2.373 1130 Y HA 0.659 5.143 4.550 -0.111 0.000 0.336 1130 Y C -1.291 174.701 175.900 0.153 0.000 0.979 1130 Y CA -0.989 56.934 58.100 -0.296 0.000 1.080 1130 Y CB 1.462 39.438 38.460 -0.805 0.000 1.190 1130 Y HN 0.396 nan 8.280 nan 0.000 0.446 1131 V N 5.111 125.142 119.914 0.195 0.000 2.472 1131 V HA 0.272 4.326 4.120 -0.111 0.000 0.290 1131 V C -0.676 175.670 176.094 0.420 0.000 1.037 1131 V CA -0.704 61.812 62.300 0.360 0.000 0.908 1131 V CB 1.637 33.591 31.823 0.218 0.000 0.985 1131 V HN 0.702 nan 8.190 nan 0.000 0.454 1132 D N 3.256 123.959 120.400 0.505 0.000 2.462 1132 D HA 0.128 4.702 4.640 -0.111 0.000 0.245 1132 D C -0.986 175.579 176.300 0.442 0.000 1.122 1132 D CA -0.366 53.875 54.000 0.402 0.000 0.864 1132 D CB 1.608 42.638 40.800 0.384 0.000 1.098 1132 D HN 0.576 nan 8.370 nan 0.000 0.541 1133 D N 4.395 124.993 120.400 0.330 0.000 2.551 1133 D HA 0.001 4.574 4.640 -0.111 0.000 0.223 1133 D C -0.239 176.172 176.300 0.185 0.000 1.144 1133 D CA -0.288 53.871 54.000 0.267 0.000 1.025 1133 D CB -0.620 40.301 40.800 0.202 0.000 1.085 1133 D HN 0.379 nan 8.370 nan 0.000 0.506 1134 Y N 1.068 121.444 120.300 0.126 0.000 2.326 1134 Y HA 0.534 5.017 4.550 -0.112 0.000 0.333 1134 Y C -2.248 173.697 175.900 0.076 0.000 1.240 1134 Y CA -2.610 55.528 58.100 0.064 0.000 1.365 1134 Y CB 0.258 38.756 38.460 0.064 0.000 1.289 1134 Y HN 0.112 nan 8.280 nan 0.000 0.548 1135 P HA 0.018 nan 4.420 nan 0.000 0.256 1135 P C 0.054 177.335 177.300 -0.030 0.000 1.689 1135 P CA -0.116 62.988 63.100 0.007 0.000 1.124 1135 P CB 0.767 32.543 31.700 0.127 0.000 1.766 1136 E N 3.157 123.229 120.200 -0.212 0.000 2.204 1136 E HA -0.217 4.067 4.350 -0.111 0.000 0.195 1136 E C 0.655 177.262 176.600 0.011 0.000 0.990 1136 E CA 1.399 57.739 56.400 -0.099 0.000 0.821 1136 E CB -0.432 29.134 29.700 -0.223 0.000 0.750 1136 E HN 0.474 nan 8.360 nan 0.000 0.477 1137 E N 0.336 120.549 120.200 0.021 0.000 2.347 1137 E HA 0.006 4.290 4.350 -0.111 0.000 0.196 1137 E C 1.563 178.241 176.600 0.130 0.000 1.008 1137 E CA 0.936 57.394 56.400 0.097 0.000 0.852 1137 E CB 0.136 29.920 29.700 0.140 0.000 0.783 1137 E HN 0.474 nan 8.360 nan 0.000 0.505 1138 A N -0.075 122.702 122.820 -0.071 0.000 2.066 1138 A HA 0.266 4.519 4.320 -0.111 0.000 0.198 1138 A C 0.602 177.892 177.584 -0.492 0.000 1.405 1138 A CA -0.125 51.603 52.037 -0.515 0.000 0.973 1138 A CB 0.645 19.102 19.000 -0.906 0.000 1.026 1138 A HN 0.008 nan 8.150 nan 0.000 0.474 1139 L N 0.750 121.814 121.223 -0.265 0.000 2.341 1139 L HA 0.507 4.780 4.340 -0.111 0.000 0.267 1139 L C -1.548 175.294 176.870 -0.048 0.000 1.009 1139 L CA -1.018 53.694 54.840 -0.212 0.000 0.819 1139 L CB 1.920 43.875 42.059 -0.173 0.000 1.323 1139 L HN 0.041 nan 8.230 nan 0.000 0.425 1140 D N 1.522 121.869 120.400 -0.089 0.000 2.308 1140 D HA 0.297 4.870 4.640 -0.111 0.000 0.242 1140 D C -0.351 175.871 176.300 -0.129 0.000 1.059 1140 D CA -0.319 53.639 54.000 -0.070 0.000 0.830 1140 D CB 2.768 43.526 40.800 -0.070 0.000 1.161 1140 D HN 0.024 nan 8.370 nan 0.000 0.494 1141 V N 3.012 122.812 119.914 -0.190 0.000 2.599 1141 V HA 0.007 4.060 4.120 -0.111 0.000 0.300 1141 V C 1.219 177.221 176.094 -0.153 0.000 1.034 1141 V CA 0.195 62.354 62.300 -0.235 0.000 1.115 1141 V CB 0.345 31.948 31.823 -0.367 0.000 0.934 1141 V HN 0.312 nan 8.190 nan 0.000 0.485 1142 R N 5.616 126.037 120.500 -0.132 0.000 3.171 1142 R HA 0.214 4.488 4.340 -0.111 0.000 0.241 1142 R C -1.619 174.638 176.300 -0.071 0.000 1.421 1142 R CA -1.533 54.510 56.100 -0.096 0.000 1.444 1142 R CB 0.471 30.712 30.300 -0.097 0.000 1.247 1142 R HN 0.588 nan 8.270 nan 0.000 0.636 1143 P HA -0.210 nan 4.420 nan 0.000 0.218 1143 P C 0.326 177.603 177.300 -0.040 0.000 1.154 1143 P CA 1.400 64.456 63.100 -0.073 0.000 0.872 1143 P CB 0.290 31.941 31.700 -0.080 0.000 0.790 1144 D N -2.179 118.205 120.400 -0.028 0.000 2.340 1144 D HA 0.067 4.641 4.640 -0.111 0.000 0.220 1144 D C 1.446 177.752 176.300 0.009 0.000 1.039 1144 D CA 0.276 54.271 54.000 -0.009 0.000 0.866 1144 D CB -0.374 40.420 40.800 -0.010 0.000 0.913 1144 D HN 0.097 nan 8.370 nan 0.000 0.523 1145 L N -0.461 120.769 121.223 0.013 0.000 2.556 1145 L HA 0.182 4.456 4.340 -0.111 0.000 0.226 1145 L C 0.182 177.087 176.870 0.057 0.000 1.089 1145 L CA -0.035 54.830 54.840 0.041 0.000 0.864 1145 L CB 0.618 42.708 42.059 0.052 0.000 1.067 1145 L HN -0.150 nan 8.230 nan 0.000 0.477 1146 V N 2.194 122.138 119.914 0.050 0.000 2.458 1146 V HA -0.036 4.017 4.120 -0.111 0.000 0.287 1146 V C 0.042 176.202 176.094 0.111 0.000 1.009 1146 V CA 0.584 62.942 62.300 0.097 0.000 1.091 1146 V CB 0.013 31.894 31.823 0.097 0.000 0.960 1146 V HN 0.253 nan 8.190 nan 0.000 0.476 1147 K N 3.925 124.392 120.400 0.112 0.000 2.371 1147 K HA 0.735 4.988 4.320 -0.111 0.000 0.251 1147 K C -1.381 175.269 176.600 0.083 0.000 0.934 1147 K CA -0.844 55.498 56.287 0.091 0.000 0.798 1147 K CB 2.672 35.205 32.500 0.055 0.000 1.204 1147 K HN 0.346 nan 8.250 nan 0.000 0.427 1148 V N 1.863 121.828 119.914 0.086 0.000 2.370 1148 V HA 0.659 4.713 4.120 -0.111 0.000 0.283 1148 V C -0.408 175.685 176.094 -0.003 0.000 1.023 1148 V CA -0.655 61.666 62.300 0.035 0.000 0.857 1148 V CB 1.015 32.893 31.823 0.091 0.000 0.985 1148 V HN 0.939 nan 8.190 nan 0.000 0.443 1149 A N 3.690 126.490 122.820 -0.035 0.000 2.430 1149 A HA 0.883 5.137 4.320 -0.111 0.000 0.300 1149 A C -0.578 176.954 177.584 -0.086 0.000 1.124 1149 A CA -0.723 51.286 52.037 -0.046 0.000 0.766 1149 A CB 1.430 20.418 19.000 -0.021 0.000 1.328 1149 A HN 0.873 nan 8.150 nan 0.000 0.424 1150 D N -0.444 119.906 120.400 -0.084 0.000 2.447 1150 D HA 0.219 4.793 4.640 -0.111 0.000 0.265 1150 D C 0.524 176.799 176.300 -0.042 0.000 1.250 1150 D CA -0.102 53.849 54.000 -0.082 0.000 1.046 1150 D CB 0.290 41.065 40.800 -0.043 0.000 1.095 1150 D HN 0.543 nan 8.370 nan 0.000 0.555 1151 E N -0.966 119.216 120.200 -0.030 0.000 2.208 1151 E HA -0.129 4.155 4.350 -0.111 0.000 0.193 1151 E C 1.413 178.004 176.600 -0.015 0.000 0.988 1151 E CA 0.734 57.123 56.400 -0.019 0.000 0.828 1151 E CB -0.108 29.584 29.700 -0.014 0.000 0.763 1151 E HN 0.508 nan 8.360 nan 0.000 0.478 1152 K N -0.280 120.112 120.400 -0.013 0.000 2.555 1152 K HA 0.103 4.356 4.320 -0.111 0.000 0.193 1152 K C 1.228 177.822 176.600 -0.009 0.000 1.032 1152 K CA 0.645 56.925 56.287 -0.010 0.000 1.004 1152 K CB 0.221 32.716 32.500 -0.009 0.000 0.804 1152 K HN 0.175 nan 8.250 nan 0.000 0.496 1153 G N 1.203 109.996 108.800 -0.011 0.000 2.195 1153 G HA2 -0.236 3.658 3.960 -0.111 0.000 0.246 1153 G HA3 -0.236 3.658 3.960 -0.111 0.000 0.246 1153 G C -0.457 174.441 174.900 -0.004 0.000 0.984 1153 G CA -0.362 44.732 45.100 -0.009 0.000 0.633 1153 G HN 0.344 nan 8.290 nan 0.000 0.525 1154 N N 1.850 120.550 118.700 -0.001 0.000 2.483 1154 N HA 0.231 4.905 4.740 -0.111 0.000 0.264 1154 N C 0.617 176.132 175.510 0.010 0.000 1.197 1154 N CA 0.293 53.349 53.050 0.009 0.000 0.927 1154 N CB 0.423 38.921 38.487 0.019 0.000 1.065 1154 N HN 0.618 nan 8.380 nan 0.000 0.461 1155 Q N 0.573 120.384 119.800 0.018 0.000 2.286 1155 Q HA 0.125 4.399 4.340 -0.111 0.000 0.290 1155 Q C -0.254 175.768 176.000 0.037 0.000 1.049 1155 Q CA 0.092 55.908 55.803 0.023 0.000 0.923 1155 Q CB 0.610 29.366 28.738 0.029 0.000 1.183 1155 Q HN 0.274 nan 8.270 nan 0.000 0.383 1156 V N 2.571 122.495 119.914 0.017 0.000 2.407 1156 V HA 0.207 4.260 4.120 -0.111 0.000 0.278 1156 V C 0.123 176.265 176.094 0.081 0.000 1.037 1156 V CA -0.201 62.113 62.300 0.023 0.000 0.900 1156 V CB 1.528 33.261 31.823 -0.151 0.000 0.983 1156 V HN 0.744 nan 8.190 nan 0.000 0.459 1157 S N 2.940 118.719 115.700 0.132 0.000 2.638 1157 S HA 0.735 5.139 4.470 -0.111 0.000 0.298 1157 S C 0.852 175.556 174.600 0.173 0.000 1.111 1157 S CA 0.493 58.768 58.200 0.124 0.000 1.027 1157 S CB 1.433 64.690 63.200 0.095 0.000 1.064 1157 S HN 1.527 nan 8.310 nan 0.000 0.525 1158 G N 0.940 109.828 108.800 0.147 0.000 2.179 1158 G HA2 -0.167 3.727 3.960 -0.111 0.000 0.220 1158 G HA3 -0.167 3.727 3.960 -0.111 0.000 0.220 1158 G C -0.340 174.655 174.900 0.157 0.000 0.990 1158 G CA 0.045 45.244 45.100 0.164 0.000 0.646 1158 G HN 0.926 nan 8.290 nan 0.000 0.517 1159 V N 2.331 122.338 119.914 0.154 0.000 2.409 1159 V HA 0.727 4.781 4.120 -0.111 0.000 0.291 1159 V C 0.542 176.730 176.094 0.157 0.000 1.020 1159 V CA 0.052 62.447 62.300 0.158 0.000 0.848 1159 V CB 1.551 33.508 31.823 0.223 0.000 0.990 1159 V HN 0.841 nan 8.190 nan 0.000 0.430 1160 S N 4.237 120.014 115.700 0.128 0.000 2.739 1160 S HA 0.874 5.278 4.470 -0.111 0.000 0.306 1160 S C -0.600 174.010 174.600 0.016 0.000 1.115 1160 S CA -0.845 57.396 58.200 0.070 0.000 0.985 1160 S CB 2.276 65.499 63.200 0.039 0.000 1.133 1160 S HN 0.865 nan 8.310 nan 0.000 0.541 1161 V N 0.468 120.307 119.914 -0.126 0.000 2.808 1161 V HA 0.748 4.802 4.120 -0.111 0.000 0.308 1161 V C -1.977 173.931 176.094 -0.310 0.000 1.099 1161 V CA -0.376 61.710 62.300 -0.356 0.000 0.920 1161 V CB 1.992 33.304 31.823 -0.851 0.000 1.014 1161 V HN 1.099 nan 8.190 nan 0.000 0.425 1162 Q N 4.124 123.721 119.800 -0.338 0.000 2.292 1162 Q HA 0.461 4.735 4.340 -0.111 0.000 0.270 1162 Q C -1.115 174.550 176.000 -0.557 0.000 1.024 1162 Q CA -0.273 55.272 55.803 -0.431 0.000 0.768 1162 Q CB 1.987 30.452 28.738 -0.456 0.000 1.250 1162 Q HN 0.832 nan 8.270 nan 0.000 0.447 1163 Q N 3.218 122.709 119.800 -0.516 0.000 2.261 1163 Q HA 0.255 4.529 4.340 -0.111 0.000 0.252 1163 Q C -1.488 174.138 176.000 -0.623 0.000 0.915 1163 Q CA -0.084 55.466 55.803 -0.422 0.000 0.915 1163 Q CB 0.680 29.275 28.738 -0.238 0.000 1.204 1163 Q HN 0.739 nan 8.270 nan 0.000 0.421 1164 Y N 2.120 122.162 120.300 -0.430 0.000 2.361 1164 Y HA 0.191 4.675 4.550 -0.111 0.000 0.337 1164 Y C 0.683 176.375 175.900 -0.348 0.000 0.965 1164 Y CA -0.857 56.964 58.100 -0.466 0.000 1.091 1164 Y CB 1.883 39.849 38.460 -0.822 0.000 1.182 1164 Y HN 0.613 nan 8.280 nan 0.000 0.450 1165 D N 0.847 121.244 120.400 -0.005 0.000 2.269 1165 D HA -0.037 4.536 4.640 -0.111 0.000 0.208 1165 D C 0.379 176.702 176.300 0.039 0.000 0.963 1165 D CA 1.082 55.087 54.000 0.008 0.000 0.864 1165 D CB 0.488 41.297 40.800 0.016 0.000 0.936 1165 D HN 0.462 nan 8.370 nan 0.000 0.505 1166 S N -1.099 114.647 115.700 0.076 0.000 2.625 1166 S HA 0.243 4.646 4.470 -0.111 0.000 0.271 1166 S C 0.282 175.010 174.600 0.213 0.000 1.161 1166 S CA -0.807 57.478 58.200 0.141 0.000 0.820 1166 S CB 1.599 64.843 63.200 0.075 0.000 1.137 1166 S HN -0.086 nan 8.310 nan 0.000 0.470 1167 L N 1.489 122.854 121.223 0.237 0.000 2.072 1167 L HA 0.208 4.482 4.340 -0.111 0.000 0.205 1167 L C 2.287 179.160 176.870 0.005 0.000 1.079 1167 L CA 2.036 56.957 54.840 0.135 0.000 0.752 1167 L CB -1.241 40.810 42.059 -0.012 0.000 0.906 1167 L HN 0.915 nan 8.230 nan 0.000 0.436 1168 E N -0.080 120.123 120.200 0.005 0.000 2.187 1168 E HA -0.227 4.056 4.350 -0.111 0.000 0.199 1168 E C 1.944 178.535 176.600 -0.016 0.000 1.004 1168 E CA 1.476 57.868 56.400 -0.013 0.000 0.813 1168 E CB -0.421 29.276 29.700 -0.005 0.000 0.736 1168 E HN 0.595 nan 8.360 nan 0.000 0.468 1169 A N 0.152 122.973 122.820 0.001 0.000 2.251 1169 A HA 0.446 4.699 4.320 -0.111 0.000 0.209 1169 A C 0.981 178.554 177.584 -0.018 0.000 1.187 1169 A CA 0.386 52.431 52.037 0.013 0.000 0.823 1169 A CB 0.021 19.052 19.000 0.051 0.000 0.846 1169 A HN 0.213 nan 8.150 nan 0.000 0.486 1170 A N 0.653 123.381 122.820 -0.153 0.000 2.293 1170 A HA 0.642 4.896 4.320 -0.111 0.000 0.302 1170 A C -2.590 174.869 177.584 -0.208 0.000 1.119 1170 A CA -1.784 50.007 52.037 -0.409 0.000 0.823 1170 A CB -0.049 18.428 19.000 -0.871 0.000 1.097 1170 A HN 0.155 nan 8.150 nan 0.000 0.491 1171 P HA -0.014 nan 4.420 nan 0.000 0.266 1171 P C 0.518 177.765 177.300 -0.089 0.000 1.186 1171 P CA 0.238 63.302 63.100 -0.061 0.000 0.767 1171 P CB 0.492 32.190 31.700 -0.003 0.000 0.820 1172 K N 2.890 123.254 120.400 -0.059 0.000 2.209 1172 K HA -0.215 4.038 4.320 -0.111 0.000 0.204 1172 K C 1.708 178.264 176.600 -0.072 0.000 1.048 1172 K CA 1.571 57.819 56.287 -0.065 0.000 0.940 1172 K CB -0.120 32.353 32.500 -0.045 0.000 0.729 1172 K HN 0.070 nan 8.250 nan 0.000 0.451 1173 K N 0.035 120.401 120.400 -0.056 0.000 2.063 1173 K HA -0.084 4.170 4.320 -0.111 0.000 0.208 1173 K C 1.727 178.261 176.600 -0.111 0.000 1.048 1173 K CA 1.412 57.665 56.287 -0.057 0.000 0.928 1173 K CB -0.218 32.273 32.500 -0.014 0.000 0.713 1173 K HN 0.002 nan 8.250 nan 0.000 0.442 1174 V N 0.943 120.783 119.914 -0.123 0.000 2.307 1174 V HA -0.250 3.804 4.120 -0.111 0.000 0.245 1174 V C 2.202 178.179 176.094 -0.195 0.000 1.045 1174 V CA 1.748 63.941 62.300 -0.178 0.000 1.024 1174 V CB -0.457 31.255 31.823 -0.186 0.000 0.651 1174 V HN 0.400 nan 8.190 nan 0.000 0.449 1175 Q N -0.289 119.410 119.800 -0.169 0.000 2.096 1175 Q HA -0.258 4.016 4.340 -0.111 0.000 0.204 1175 Q C 2.003 177.908 176.000 -0.157 0.000 0.982 1175 Q CA 1.921 57.627 55.803 -0.162 0.000 0.850 1175 Q CB -0.300 28.362 28.738 -0.127 0.000 0.901 1175 Q HN 0.615 nan 8.270 nan 0.000 0.422 1176 D N 0.673 120.993 120.400 -0.133 0.000 2.117 1176 D HA -0.137 4.437 4.640 -0.111 0.000 0.198 1176 D C 1.774 177.987 176.300 -0.145 0.000 0.982 1176 D CA 0.569 54.497 54.000 -0.119 0.000 0.828 1176 D CB -0.243 40.504 40.800 -0.089 0.000 0.967 1176 D HN 0.086 nan 8.370 nan 0.000 0.464 1177 L N 0.143 121.257 121.223 -0.182 0.000 2.013 1177 L HA -0.172 4.101 4.340 -0.111 0.000 0.212 1177 L C 1.801 178.529 176.870 -0.236 0.000 1.073 1177 L CA 1.640 56.341 54.840 -0.232 0.000 0.753 1177 L CB -0.631 41.199 42.059 -0.382 0.000 0.890 1177 L HN -0.016 nan 8.230 nan 0.000 0.432 1178 L N -0.301 120.767 121.223 -0.259 0.000 2.072 1178 L HA -0.137 4.137 4.340 -0.111 0.000 0.205 1178 L C 2.625 179.347 176.870 -0.246 0.000 1.079 1178 L CA 1.813 56.479 54.840 -0.289 0.000 0.752 1178 L CB -1.003 40.850 42.059 -0.342 0.000 0.906 1178 L HN 0.330 nan 8.230 nan 0.000 0.436 1179 K N -0.440 119.839 120.400 -0.201 0.000 2.063 1179 K HA -0.252 4.002 4.320 -0.111 0.000 0.208 1179 K C 2.177 178.691 176.600 -0.144 0.000 1.048 1179 K CA 1.421 57.610 56.287 -0.162 0.000 0.928 1179 K CB 0.022 32.444 32.500 -0.130 0.000 0.713 1179 K HN -0.060 nan 8.250 nan 0.000 0.442 1180 K N 0.159 120.477 120.400 -0.136 0.000 2.155 1180 K HA 0.018 4.272 4.320 -0.111 0.000 0.203 1180 K C 1.353 177.880 176.600 -0.122 0.000 1.052 1180 K CA 1.331 57.552 56.287 -0.110 0.000 0.948 1180 K CB -0.071 32.374 32.500 -0.092 0.000 0.728 1180 K HN 0.196 nan 8.250 nan 0.000 0.448 1181 A N 0.315 123.040 122.820 -0.158 0.000 2.251 1181 A HA 0.098 4.351 4.320 -0.111 0.000 0.209 1181 A C 0.496 177.963 177.584 -0.195 0.000 1.187 1181 A CA 0.613 52.544 52.037 -0.177 0.000 0.823 1181 A CB -0.643 18.238 19.000 -0.199 0.000 0.846 1181 A HN 0.582 nan 8.150 nan 0.000 0.486 1182 N N -0.999 117.592 118.700 -0.181 0.000 2.740 1182 N HA -0.159 4.514 4.740 -0.111 0.000 0.248 1182 N C -0.732 174.637 175.510 -0.236 0.000 1.062 1182 N CA 0.750 53.696 53.050 -0.174 0.000 0.704 1182 N CB -1.802 36.609 38.487 -0.127 0.000 0.968 1182 N HN 0.542 nan 8.380 nan 0.000 0.547 1183 I N 0.682 121.051 120.570 -0.334 0.000 2.321 1183 I HA 0.227 4.330 4.170 -0.111 0.000 0.291 1183 I C 0.794 176.641 176.117 -0.450 0.000 0.998 1183 I CA -0.570 60.413 61.300 -0.529 0.000 1.227 1183 I CB 1.456 38.975 38.000 -0.801 0.000 1.368 1183 I HN 0.251 nan 8.210 nan 0.000 0.466 1184 T N 4.636 118.968 114.554 -0.370 0.000 2.829 1184 T HA 0.687 4.971 4.350 -0.111 0.000 0.282 1184 T C -0.292 174.246 174.700 -0.270 0.000 0.990 1184 T CA -0.666 61.269 62.100 -0.275 0.000 1.028 1184 T CB 1.540 70.312 68.868 -0.161 0.000 0.951 1184 T HN 0.390 nan 8.240 nan 0.000 0.460 1185 V N 0.612 120.356 119.914 -0.284 0.000 2.919 1185 V HA 0.725 4.779 4.120 -0.111 0.000 0.316 1185 V C -0.396 175.632 176.094 -0.110 0.000 1.077 1185 V CA -1.278 60.888 62.300 -0.224 0.000 0.977 1185 V CB 1.783 33.331 31.823 -0.459 0.000 1.039 1185 V HN 1.095 nan 8.190 nan 0.000 0.441 1186 K N 2.128 122.505 120.400 -0.039 0.000 2.367 1186 K HA 0.596 4.850 4.320 -0.111 0.000 0.263 1186 K C 0.677 177.280 176.600 0.004 0.000 1.000 1186 K CA 0.545 56.823 56.287 -0.015 0.000 0.891 1186 K CB 0.730 33.228 32.500 -0.005 0.000 1.117 1186 K HN 1.676 nan 8.250 nan 0.000 0.443 1187 G N 3.198 112.012 108.800 0.023 0.000 2.583 1187 G HA2 -0.365 3.528 3.960 -0.111 0.000 0.292 1187 G HA3 -0.365 3.528 3.960 -0.111 0.000 0.292 1187 G C -0.094 174.873 174.900 0.112 0.000 1.203 1187 G CA -0.035 45.086 45.100 0.035 0.000 0.987 1187 G HN 0.879 nan 8.290 nan 0.000 0.554 1188 A N 0.022 122.835 122.820 -0.012 0.000 2.332 1188 A HA 0.843 5.097 4.320 -0.111 0.000 0.258 1188 A C -0.100 177.486 177.584 0.003 0.000 1.087 1188 A CA 1.193 53.205 52.037 -0.041 0.000 0.802 1188 A CB 0.129 19.029 19.000 -0.166 0.000 1.042 1188 A HN 2.191 nan 8.150 nan 0.000 0.489 1189 F N -2.118 117.873 119.950 0.068 0.000 2.741 1189 F HA 0.645 5.105 4.527 -0.111 0.000 0.313 1189 F C -0.915 175.119 175.800 0.389 0.000 1.153 1189 F CA -1.035 57.113 58.000 0.247 0.000 0.931 1189 F CB 1.027 40.123 39.000 0.161 0.000 1.335 1189 F HN 0.519 nan 8.300 nan 0.000 0.460 1190 Q N 1.214 121.297 119.800 0.471 0.000 2.309 1190 Q HA 0.678 4.951 4.340 -0.111 0.000 0.264 1190 Q C -1.831 174.393 176.000 0.373 0.000 1.008 1190 Q CA -1.165 54.749 55.803 0.185 0.000 0.853 1190 Q CB 2.863 31.651 28.738 0.083 0.000 1.314 1190 Q HN 0.697 nan 8.270 nan 0.000 0.448 1191 L N 2.870 124.218 121.223 0.209 0.000 2.319 1191 L HA 0.507 4.781 4.340 -0.111 0.000 0.281 1191 L C -1.709 175.246 176.870 0.143 0.000 1.005 1191 L CA -0.091 54.957 54.840 0.346 0.000 0.828 1191 L CB 0.579 42.915 42.059 0.462 0.000 1.227 1191 L HN 0.473 nan 8.230 nan 0.000 0.415 1192 F N 2.890 122.992 119.950 0.253 0.000 2.384 1192 F HA 0.585 5.046 4.527 -0.111 0.000 0.338 1192 F C 0.878 176.857 175.800 0.298 0.000 1.103 1192 F CA 0.020 58.158 58.000 0.230 0.000 1.157 1192 F CB 1.592 40.720 39.000 0.213 0.000 1.167 1192 F HN 0.446 nan 8.300 nan 0.000 0.529 1193 S N 1.289 117.209 115.700 0.367 0.000 2.538 1193 S HA 0.665 5.068 4.470 -0.111 0.000 0.288 1193 S C -0.707 173.907 174.600 0.023 0.000 1.108 1193 S CA -0.809 57.511 58.200 0.200 0.000 0.971 1193 S CB 1.702 65.040 63.200 0.228 0.000 1.041 1193 S HN 0.732 nan 8.310 nan 0.000 0.483 1194 A N 2.513 125.187 122.820 -0.243 0.000 2.410 1194 A HA 0.279 4.533 4.320 -0.111 0.000 0.292 1194 A C 0.763 178.289 177.584 -0.097 0.000 1.232 1194 A CA -0.309 51.549 52.037 -0.299 0.000 0.893 1194 A CB -0.159 18.456 19.000 -0.641 0.000 1.131 1194 A HN 0.800 nan 8.150 nan 0.000 0.530 1195 D N 1.248 121.656 120.400 0.013 0.000 2.123 1195 D HA -0.112 4.461 4.640 -0.111 0.000 0.196 1195 D C 0.434 176.773 176.300 0.066 0.000 0.992 1195 D CA 1.522 55.554 54.000 0.053 0.000 0.833 1195 D CB 0.145 40.988 40.800 0.071 0.000 0.954 1195 D HN 0.581 nan 8.370 nan 0.000 0.455 1196 N N -0.183 118.574 118.700 0.095 0.000 2.696 1196 N HA 0.118 4.792 4.740 -0.111 0.000 0.246 1196 N C -2.220 173.400 175.510 0.183 0.000 1.057 1196 N CA -1.710 51.411 53.050 0.118 0.000 0.867 1196 N CB 2.006 40.558 38.487 0.107 0.000 1.141 1196 N HN -0.258 nan 8.380 nan 0.000 0.517 1197 P HA -0.169 nan 4.420 nan 0.000 0.217 1197 P C 1.108 178.662 177.300 0.423 0.000 1.148 1197 P CA 1.117 64.442 63.100 0.375 0.000 0.828 1197 P CB 0.458 32.298 31.700 0.234 0.000 0.783 1198 E N 0.570 120.926 120.200 0.260 0.000 2.051 1198 E HA -0.219 4.065 4.350 -0.111 0.000 0.192 1198 E C 1.718 178.440 176.600 0.204 0.000 0.991 1198 E CA 1.212 57.746 56.400 0.224 0.000 0.799 1198 E CB -0.385 29.397 29.700 0.138 0.000 0.748 1198 E HN 0.269 nan 8.360 nan 0.000 0.449 1199 E N -0.302 119.987 120.200 0.149 0.000 2.107 1199 E HA -0.127 4.157 4.350 -0.111 0.000 0.191 1199 E C 1.912 178.525 176.600 0.023 0.000 0.982 1199 E CA 0.680 57.121 56.400 0.068 0.000 0.809 1199 E CB -0.229 29.505 29.700 0.057 0.000 0.756 1199 E HN 0.293 nan 8.360 nan 0.000 0.459 1200 F N 1.155 121.083 119.950 -0.036 0.000 2.069 1200 F HA -0.305 4.156 4.527 -0.111 0.000 0.298 1200 F C 2.327 177.958 175.800 -0.281 0.000 1.113 1200 F CA 1.636 59.567 58.000 -0.116 0.000 1.214 1200 F CB -0.464 38.453 39.000 -0.139 0.000 0.978 1200 F HN -0.006 nan 8.300 nan 0.000 0.474 1201 Y N 1.533 121.691 120.300 -0.238 0.000 2.069 1201 Y HA -0.334 4.149 4.550 -0.111 0.000 0.278 1201 Y C 2.377 178.124 175.900 -0.254 0.000 1.175 1201 Y CA 2.562 60.476 58.100 -0.310 0.000 1.134 1201 Y CB -0.620 37.856 38.460 0.027 0.000 0.965 1201 Y HN 0.051 nan 8.280 nan 0.000 0.498 1202 K N -0.504 119.799 120.400 -0.161 0.000 2.097 1202 K HA -0.221 4.032 4.320 -0.111 0.000 0.206 1202 K C 2.286 178.645 176.600 -0.403 0.000 1.049 1202 K CA 1.703 57.848 56.287 -0.237 0.000 0.933 1202 K CB -0.239 32.218 32.500 -0.073 0.000 0.717 1202 K HN 0.488 nan 8.250 nan 0.000 0.442 1203 Q N -0.825 118.666 119.800 -0.516 0.000 2.165 1203 Q HA -0.058 4.216 4.340 -0.111 0.000 0.197 1203 Q C 1.241 176.670 176.000 -0.952 0.000 0.952 1203 Q CA 1.253 56.604 55.803 -0.753 0.000 0.848 1203 Q CB 0.362 28.548 28.738 -0.921 0.000 0.931 1203 Q HN 0.351 nan 8.270 nan 0.000 0.470 1204 Y N -1.898 118.002 120.300 -0.667 0.000 2.609 1204 Y HA 0.041 4.525 4.550 -0.110 0.000 0.281 1204 Y C 2.015 177.542 175.900 -0.620 0.000 1.132 1204 Y CA 0.078 57.752 58.100 -0.711 0.000 1.264 1204 Y CB -0.057 37.753 38.460 -1.082 0.000 1.325 1204 Y HN -0.161 nan 8.280 nan 0.000 0.514 1205 V N 0.246 119.794 119.914 -0.611 0.000 2.239 1205 V HA -0.215 3.839 4.120 -0.111 0.000 0.242 1205 V C 2.557 178.434 176.094 -0.362 0.000 1.038 1205 V CA 1.894 63.941 62.300 -0.422 0.000 1.002 1205 V CB -1.418 30.112 31.823 -0.489 0.000 0.641 1205 V HN 0.364 nan 8.190 nan 0.000 0.449 1206 A N 0.913 123.297 122.820 -0.726 0.000 1.986 1206 A HA -0.256 3.998 4.320 -0.111 0.000 0.220 1206 A C 2.318 179.748 177.584 -0.258 0.000 1.171 1206 A CA 2.672 54.395 52.037 -0.525 0.000 0.640 1206 A CB -0.936 17.672 19.000 -0.652 0.000 0.811 1206 A HN 0.693 nan 8.150 nan 0.000 0.451 1207 T N -4.407 109.987 114.554 -0.267 0.000 3.081 1207 T HA 0.394 4.678 4.350 -0.111 0.000 0.250 1207 T C 1.269 175.902 174.700 -0.113 0.000 1.100 1207 T CA 0.991 62.984 62.100 -0.177 0.000 1.038 1207 T CB -0.168 68.576 68.868 -0.207 0.000 0.962 1207 T HN 1.775 nan 8.240 nan 0.000 0.516 1208 G N 1.495 110.239 108.800 -0.094 0.000 2.272 1208 G HA2 -0.215 3.679 3.960 -0.111 0.000 0.280 1208 G HA3 -0.215 3.679 3.960 -0.111 0.000 0.280 1208 G C -0.029 174.843 174.900 -0.047 0.000 1.067 1208 G CA 0.144 45.224 45.100 -0.034 0.000 0.902 1208 G HN 0.630 nan 8.290 nan 0.000 0.500 1209 T N 1.526 116.041 114.554 -0.065 0.000 2.910 1209 T HA 0.531 4.814 4.350 -0.111 0.000 0.323 1209 T C 0.785 175.446 174.700 -0.066 0.000 1.091 1209 T CA 0.094 62.170 62.100 -0.040 0.000 0.960 1209 T CB 1.000 69.882 68.868 0.023 0.000 1.024 1209 T HN 0.387 nan 8.240 nan 0.000 0.509 1210 S N 3.370 119.047 115.700 -0.039 0.000 2.579 1210 S HA 0.421 4.825 4.470 -0.111 0.000 0.275 1210 S C 0.287 174.860 174.600 -0.044 0.000 1.345 1210 S CA -0.534 57.657 58.200 -0.014 0.000 1.031 1210 S CB 0.301 63.519 63.200 0.029 0.000 0.892 1210 S HN 0.465 nan 8.310 nan 0.000 0.529 1211 L N 1.306 122.530 121.223 0.002 0.000 2.301 1211 L HA 0.755 5.028 4.340 -0.111 0.000 0.264 1211 L C -1.013 175.865 176.870 0.014 0.000 1.016 1211 L CA -1.074 53.746 54.840 -0.033 0.000 0.821 1211 L CB 1.517 43.523 42.059 -0.088 0.000 1.346 1211 L HN 0.275 nan 8.230 nan 0.000 0.429 1212 V N 2.044 121.934 119.914 -0.039 0.000 2.483 1212 V HA 0.453 4.507 4.120 -0.111 0.000 0.297 1212 V C -0.301 175.729 176.094 -0.106 0.000 1.027 1212 V CA -0.310 61.952 62.300 -0.063 0.000 0.855 1212 V CB 1.974 33.776 31.823 -0.035 0.000 0.995 1212 V HN 0.476 nan 8.190 nan 0.000 0.424 1213 I N 3.547 123.996 120.570 -0.202 0.000 2.330 1213 I HA 0.351 4.455 4.170 -0.111 0.000 0.289 1213 I C 0.255 176.302 176.117 -0.117 0.000 1.001 1213 I CA -0.078 61.072 61.300 -0.250 0.000 1.193 1213 I CB 1.754 39.376 38.000 -0.630 0.000 1.345 1213 I HN 0.526 nan 8.210 nan 0.000 0.461 1214 T N 4.298 118.841 114.554 -0.019 0.000 2.743 1214 T HA 0.175 4.459 4.350 -0.111 0.000 0.293 1214 T C -0.196 174.561 174.700 0.094 0.000 0.945 1214 T CA -0.123 62.009 62.100 0.054 0.000 1.030 1214 T CB 0.777 69.687 68.868 0.070 0.000 0.912 1214 T HN 0.427 nan 8.240 nan 0.000 0.483 1215 D N 4.051 124.527 120.400 0.127 0.000 2.772 1215 D HA 0.308 4.882 4.640 -0.111 0.000 0.326 1215 D C -2.625 173.746 176.300 0.119 0.000 1.207 1215 D CA -2.073 52.017 54.000 0.150 0.000 0.777 1215 D CB 0.740 41.653 40.800 0.189 0.000 1.169 1215 D HN 0.186 nan 8.370 nan 0.000 0.506 1216 P HA 0.201 nan 4.420 nan 0.000 0.268 1216 P C -0.463 176.730 177.300 -0.178 0.000 1.205 1216 P CA 0.218 63.211 63.100 -0.179 0.000 0.771 1216 P CB 0.577 32.132 31.700 -0.240 0.000 0.858 1217 M N 1.332 120.778 119.600 -0.255 0.000 2.324 1217 M HA 0.284 4.697 4.480 -0.111 0.000 0.288 1217 M C -0.645 175.496 176.300 -0.265 0.000 1.097 1217 M CA -0.336 54.847 55.300 -0.195 0.000 0.928 1217 M CB 2.345 34.924 32.600 -0.035 0.000 1.648 1217 M HN 0.061 nan 8.290 nan 0.000 0.460 1218 T N 2.485 116.905 114.554 -0.224 0.000 2.767 1218 T HA 0.446 4.730 4.350 -0.111 0.000 0.284 1218 T C 0.195 174.768 174.700 -0.211 0.000 0.973 1218 T CA -0.490 61.482 62.100 -0.213 0.000 0.996 1218 T CB 1.250 70.021 68.868 -0.161 0.000 0.927 1218 T HN 0.405 nan 8.240 nan 0.000 0.456 1219 V N 4.387 124.171 119.914 -0.217 0.000 2.901 1219 V HA 0.047 4.101 4.120 -0.111 0.000 0.307 1219 V C 0.706 176.712 176.094 -0.146 0.000 1.084 1219 V CA 0.013 62.161 62.300 -0.253 0.000 1.184 1219 V CB 0.077 31.800 31.823 -0.166 0.000 0.941 1219 V HN 0.737 nan 8.190 nan 0.000 0.493 1220 K N 3.092 123.412 120.400 -0.133 0.000 2.312 1220 K HA 0.240 4.494 4.320 -0.111 0.000 0.287 1220 K C 1.241 177.884 176.600 0.072 0.000 1.062 1220 K CA -0.138 56.143 56.287 -0.010 0.000 0.934 1220 K CB 0.863 33.388 32.500 0.042 0.000 1.027 1220 K HN 0.694 nan 8.250 nan 0.000 0.478 1221 S N 2.646 118.358 115.700 0.021 0.000 2.381 1221 S HA -0.254 4.150 4.470 -0.111 0.000 0.230 1221 S C 1.730 176.346 174.600 0.028 0.000 1.052 1221 S CA 1.943 60.141 58.200 -0.004 0.000 1.068 1221 S CB -0.205 62.949 63.200 -0.077 0.000 0.918 1221 S HN 0.815 nan 8.310 nan 0.000 0.448 1222 E N 0.680 120.907 120.200 0.045 0.000 2.118 1222 E HA -0.205 4.079 4.350 -0.111 0.000 0.195 1222 E C 1.757 178.426 176.600 0.116 0.000 0.992 1222 E CA 1.108 57.538 56.400 0.050 0.000 0.804 1222 E CB -0.762 28.962 29.700 0.041 0.000 0.741 1222 E HN 0.548 nan 8.360 nan 0.000 0.458 1223 F N 2.470 122.437 119.950 0.028 0.000 2.236 1223 F HA -0.072 4.385 4.527 -0.116 0.000 0.302 1223 F C 2.381 178.241 175.800 0.100 0.000 1.073 1223 F CA 1.788 59.822 58.000 0.057 0.000 1.336 1223 F CB -0.366 38.662 39.000 0.048 0.000 1.040 1223 F HN 0.159 nan 8.300 nan 0.000 0.507 1224 G N -0.373 108.609 108.800 0.304 0.000 2.443 1224 G HA2 -0.201 3.693 3.960 -0.111 0.000 0.219 1224 G HA3 -0.201 3.693 3.960 -0.111 0.000 0.219 1224 G C 1.732 176.827 174.900 0.324 0.000 1.131 1224 G CA 0.428 45.748 45.100 0.367 0.000 0.775 1224 G HN 0.184 nan 8.290 nan 0.000 0.547 1225 K N 0.788 121.322 120.400 0.223 0.000 2.148 1225 K HA -0.050 4.203 4.320 -0.111 0.000 0.204 1225 K C 2.557 179.176 176.600 0.032 0.000 1.050 1225 K CA 1.703 58.071 56.287 0.135 0.000 0.942 1225 K CB -0.800 31.742 32.500 0.070 0.000 0.724 1225 K HN 0.501 nan 8.250 nan 0.000 0.446 1226 T N -2.073 112.459 114.554 -0.036 0.000 3.021 1226 T HA 0.292 4.576 4.350 -0.111 0.000 0.245 1226 T C 1.227 175.874 174.700 -0.088 0.000 1.028 1226 T CA 0.436 62.469 62.100 -0.113 0.000 1.139 1226 T CB -0.135 68.578 68.868 -0.260 0.000 0.884 1226 T HN 0.384 nan 8.240 nan 0.000 0.457 1227 G N 0.631 109.397 108.800 -0.056 0.000 2.632 1227 G HA2 0.372 4.266 3.960 -0.111 0.000 0.224 1227 G HA3 0.372 4.266 3.960 -0.111 0.000 0.224 1227 G C 0.123 175.031 174.900 0.014 0.000 1.341 1227 G CA -0.419 44.721 45.100 0.066 0.000 0.880 1227 G HN 1.964 nan 8.290 nan 0.000 0.566 1228 G N -1.567 107.343 108.800 0.184 0.000 2.465 1228 G HA2 0.470 4.364 3.960 -0.111 0.000 0.681 1228 G HA3 0.470 4.364 3.960 -0.111 0.000 0.681 1228 G C -0.614 174.538 174.900 0.420 0.000 1.340 1228 G CA 0.238 45.485 45.100 0.245 0.000 0.884 1228 G HN 0.955 nan 8.290 nan 0.000 0.650 1229 K N 0.214 120.774 120.400 0.267 0.000 2.270 1229 K HA 0.517 4.771 4.320 -0.111 0.000 0.276 1229 K C -0.182 176.581 176.600 0.272 0.000 1.023 1229 K CA -0.085 56.298 56.287 0.161 0.000 0.955 1229 K CB 1.135 33.684 32.500 0.082 0.000 0.975 1229 K HN 0.708 nan 8.250 nan 0.000 0.471 1230 Y N -1.297 119.070 120.300 0.112 0.000 2.605 1230 Y HA 0.539 5.022 4.550 -0.112 0.000 0.343 1230 Y C -0.550 175.394 175.900 0.074 0.000 1.036 1230 Y CA -1.253 56.890 58.100 0.072 0.000 1.065 1230 Y CB 1.432 39.885 38.460 -0.012 0.000 1.288 1230 Y HN 0.641 nan 8.280 nan 0.000 0.481 1231 E N 1.279 121.616 120.200 0.228 0.000 2.383 1231 E HA 0.511 4.795 4.350 -0.111 0.000 0.275 1231 E C -2.090 174.595 176.600 0.140 0.000 0.918 1231 E CA -1.093 55.384 56.400 0.127 0.000 0.764 1231 E CB 2.511 32.242 29.700 0.052 0.000 1.252 1231 E HN 0.652 nan 8.360 nan 0.000 0.449 1232 N N 1.053 119.782 118.700 0.049 0.000 2.238 1232 N HA 0.423 5.096 4.740 -0.111 0.000 0.302 1232 N C -1.878 173.560 175.510 -0.120 0.000 1.072 1232 N CA -0.578 52.423 53.050 -0.082 0.000 0.792 1232 N CB 1.724 39.950 38.487 -0.436 0.000 1.425 1232 N HN 0.521 nan 8.380 nan 0.000 0.478 1233 K N 1.277 121.613 120.400 -0.107 0.000 2.502 1233 K HA 0.894 5.147 4.320 -0.111 0.000 0.257 1233 K C -1.541 174.932 176.600 -0.212 0.000 0.938 1233 K CA -1.129 55.055 56.287 -0.172 0.000 0.819 1233 K CB 2.171 34.589 32.500 -0.137 0.000 1.333 1233 K HN 0.505 nan 8.250 nan 0.000 0.434 1234 A N 1.536 124.107 122.820 -0.415 0.000 2.566 1234 A HA 0.812 5.066 4.320 -0.111 0.000 0.292 1234 A C -1.987 175.130 177.584 -0.778 0.000 1.112 1234 A CA -0.749 51.084 52.037 -0.340 0.000 0.707 1234 A CB 1.122 20.128 19.000 0.009 0.000 1.302 1234 A HN 0.636 nan 8.150 nan 0.000 0.409 1235 Y N -0.134 119.965 120.300 -0.336 0.000 2.433 1235 Y HA 0.534 5.018 4.550 -0.111 0.000 0.337 1235 Y C -0.021 175.366 175.900 -0.855 0.000 1.026 1235 Y CA -0.427 57.421 58.100 -0.419 0.000 1.037 1235 Y CB 2.233 40.542 38.460 -0.252 0.000 1.245 1235 Y HN 0.786 nan 8.280 nan 0.000 0.443 1236 Q N 3.759 123.209 119.800 -0.583 0.000 2.241 1236 Q HA 0.671 4.945 4.340 -0.111 0.000 0.254 1236 Q C -1.416 174.567 176.000 -0.029 0.000 0.917 1236 Q CA -0.529 54.904 55.803 -0.618 0.000 0.919 1236 Q CB 1.010 29.561 28.738 -0.312 0.000 1.237 1236 Q HN 0.779 nan 8.270 nan 0.000 0.434 1237 I N 4.308 124.914 120.570 0.061 0.000 2.466 1237 I HA 0.281 4.384 4.170 -0.111 0.000 0.279 1237 I C -1.250 175.090 176.117 0.372 0.000 1.033 1237 I CA -0.747 60.676 61.300 0.205 0.000 1.123 1237 I CB 1.462 39.551 38.000 0.149 0.000 1.237 1237 I HN 0.486 nan 8.210 nan 0.000 0.460 1238 D N 6.805 127.481 120.400 0.461 0.000 2.308 1238 D HA 0.390 4.964 4.640 -0.111 0.000 0.242 1238 D C 0.217 176.610 176.300 0.155 0.000 1.059 1238 D CA -0.361 53.829 54.000 0.316 0.000 0.830 1238 D CB 1.467 42.609 40.800 0.570 0.000 1.161 1238 D HN 0.387 nan 8.370 nan 0.000 0.494 1239 F N 1.314 121.168 119.950 -0.159 0.000 3.034 1239 F HA -0.210 4.251 4.527 -0.110 0.000 0.286 1239 F C 1.574 177.346 175.800 -0.046 0.000 0.804 1239 F CA 0.776 58.684 58.000 -0.152 0.000 1.161 1239 F CB -2.035 36.956 39.000 -0.015 0.000 1.317 1239 F HN 0.728 nan 8.300 nan 0.000 0.453 1240 G N -1.182 107.674 108.800 0.093 0.000 2.205 1240 G HA2 -0.339 3.554 3.960 -0.111 0.000 0.261 1240 G HA3 -0.339 3.554 3.960 -0.111 0.000 0.261 1240 G C 0.223 175.139 174.900 0.027 0.000 0.980 1240 G CA 0.154 45.288 45.100 0.057 0.000 0.632 1240 G HN 0.525 nan 8.290 nan 0.000 0.533 1241 N N 1.226 119.975 118.700 0.081 0.000 2.499 1241 N HA 0.521 5.195 4.740 -0.111 0.000 0.281 1241 N C 0.459 175.791 175.510 -0.297 0.000 1.098 1241 N CA 0.691 53.684 53.050 -0.095 0.000 0.979 1241 N CB 1.486 39.967 38.487 -0.010 0.000 1.121 1241 N HN 0.486 nan 8.380 nan 0.000 0.466 1242 G N 0.875 109.393 108.800 -0.470 0.000 2.388 1242 G HA2 0.569 4.463 3.960 -0.111 0.000 0.330 1242 G HA3 0.569 4.463 3.960 -0.111 0.000 0.330 1242 G C -1.455 173.069 174.900 -0.628 0.000 1.142 1242 G CA -0.303 44.559 45.100 -0.397 0.000 0.908 1242 G HN 0.427 nan 8.290 nan 0.000 0.473 1243 Y N 0.380 120.725 120.300 0.074 0.000 2.354 1243 Y HA 0.581 5.065 4.550 -0.111 0.000 0.330 1243 Y C 0.434 176.339 175.900 0.010 0.000 1.011 1243 Y CA -0.976 57.157 58.100 0.055 0.000 1.099 1243 Y CB 2.050 40.548 38.460 0.064 0.000 1.179 1243 Y HN 0.777 nan 8.280 nan 0.000 0.442 1244 A N 2.024 124.917 122.820 0.121 0.000 2.327 1244 A HA 0.602 4.856 4.320 -0.111 0.000 0.283 1244 A C 0.491 177.997 177.584 -0.130 0.000 1.127 1244 A CA -0.360 51.618 52.037 -0.098 0.000 0.810 1244 A CB 0.106 19.071 19.000 -0.059 0.000 1.066 1244 A HN 0.764 nan 8.150 nan 0.000 0.492 1245 T N 0.667 115.072 114.554 -0.249 0.000 2.788 1245 T HA 0.343 4.626 4.350 -0.111 0.000 0.287 1245 T C 0.194 174.812 174.700 -0.136 0.000 1.007 1245 T CA -0.441 61.574 62.100 -0.141 0.000 1.005 1245 T CB 0.222 69.017 68.868 -0.122 0.000 1.012 1245 T HN 0.670 nan 8.240 nan 0.000 0.530 1246 E N -0.067 120.089 120.200 -0.073 0.000 2.422 1246 E HA 0.253 4.537 4.350 -0.111 0.000 0.260 1246 E C -0.430 176.122 176.600 -0.079 0.000 1.108 1246 E CA -0.467 55.898 56.400 -0.059 0.000 0.943 1246 E CB 0.631 30.316 29.700 -0.025 0.000 0.961 1246 E HN 0.382 nan 8.360 nan 0.000 0.443 1247 V N 2.736 122.613 119.914 -0.062 0.000 2.461 1247 V HA 0.084 4.138 4.120 -0.111 0.000 0.275 1247 V C -0.020 176.059 176.094 -0.026 0.000 1.047 1247 V CA -0.363 61.904 62.300 -0.056 0.000 0.955 1247 V CB 1.330 33.131 31.823 -0.038 0.000 0.988 1247 V HN 0.326 nan 8.190 nan 0.000 0.471 1248 V N 6.375 126.278 119.914 -0.017 0.000 2.370 1248 V HA 0.410 4.464 4.120 -0.111 0.000 0.279 1248 V C -0.028 176.085 176.094 0.033 0.000 1.029 1248 V CA -0.444 61.874 62.300 0.030 0.000 0.870 1248 V CB 1.662 33.542 31.823 0.095 0.000 0.984 1248 V HN 0.606 nan 8.190 nan 0.000 0.451 1249 V N 5.275 125.187 119.914 -0.003 0.000 2.483 1249 V HA 0.551 4.604 4.120 -0.111 0.000 0.295 1249 V C -0.200 175.806 176.094 -0.147 0.000 1.035 1249 V CA -0.611 61.647 62.300 -0.070 0.000 0.896 1249 V CB 1.928 33.719 31.823 -0.054 0.000 0.986 1249 V HN 0.993 nan 8.190 nan 0.000 0.447 1250 N N 2.314 120.785 118.700 -0.382 0.000 2.405 1250 N HA 0.532 5.206 4.740 -0.111 0.000 0.285 1250 N C -1.174 174.036 175.510 -0.499 0.000 1.262 1250 N CA -0.823 51.948 53.050 -0.464 0.000 0.773 1250 N CB 1.788 39.938 38.487 -0.562 0.000 1.490 1250 N HN 0.754 nan 8.380 nan 0.000 0.486 1251 N N -0.376 118.190 118.700 -0.224 0.000 2.269 1251 N HA 0.527 5.200 4.740 -0.111 0.000 0.304 1251 N C -1.858 173.710 175.510 0.096 0.000 1.072 1251 N CA -0.597 52.427 53.050 -0.044 0.000 0.802 1251 N CB 1.482 39.976 38.487 0.012 0.000 1.348 1251 N HN 0.167 nan 8.380 nan 0.000 0.484 1252 V N 3.999 124.063 119.914 0.252 0.000 2.370 1252 V HA 0.485 4.539 4.120 -0.111 0.000 0.279 1252 V C -2.062 174.161 176.094 0.215 0.000 1.029 1252 V CA -1.686 60.797 62.300 0.304 0.000 0.870 1252 V CB 1.216 33.350 31.823 0.519 0.000 0.984 1252 V HN 0.721 nan 8.190 nan 0.000 0.451 1253 P HA 0.153 nan 4.420 nan 0.000 0.271 1253 P C -0.554 176.784 177.300 0.063 0.000 1.216 1253 P CA -0.386 62.764 63.100 0.084 0.000 0.776 1253 P CB 0.559 32.290 31.700 0.052 0.000 0.881 1254 K N 3.670 124.086 120.400 0.026 0.000 2.316 1254 K HA 0.222 4.476 4.320 -0.111 0.000 0.289 1254 K C -0.464 176.081 176.600 -0.091 0.000 1.070 1254 K CA -0.332 55.950 56.287 -0.009 0.000 0.928 1254 K CB 0.082 32.578 32.500 -0.007 0.000 1.039 1254 K HN 0.351 nan 8.250 nan 0.000 0.480 1255 I N 4.797 125.230 120.570 -0.228 0.000 2.312 1255 I HA 0.116 4.220 4.170 -0.111 0.000 0.290 1255 I C 0.210 176.142 176.117 -0.309 0.000 1.008 1255 I CA -0.370 60.663 61.300 -0.444 0.000 1.226 1255 I CB 0.888 38.188 38.000 -1.167 0.000 1.371 1255 I HN 0.635 nan 8.210 nan 0.000 0.468 1256 T N 4.115 118.572 114.554 -0.162 0.000 3.133 1256 T HA 0.487 4.770 4.350 -0.111 0.000 0.368 1256 T C -2.678 172.003 174.700 -0.032 0.000 1.190 1256 T CA -1.793 60.266 62.100 -0.069 0.000 1.282 1256 T CB 1.108 69.959 68.868 -0.028 0.000 1.042 1256 T HN 0.166 nan 8.240 nan 0.000 0.536 1257 P HA 0.550 nan 4.420 nan 0.000 0.272 1257 P C -0.501 176.855 177.300 0.092 0.000 1.223 1257 P CA -0.507 62.615 63.100 0.036 0.000 0.784 1257 P CB 0.609 32.215 31.700 -0.157 0.000 0.923 1258 K N 1.113 121.644 120.400 0.219 0.000 2.318 1258 K HA 0.562 4.816 4.320 -0.111 0.000 0.249 1258 K C -0.590 176.166 176.600 0.260 0.000 0.942 1258 K CA -0.700 55.694 56.287 0.179 0.000 0.808 1258 K CB 2.009 34.581 32.500 0.120 0.000 1.189 1258 K HN 0.229 nan 8.250 nan 0.000 0.428 1259 K N 1.731 122.239 120.400 0.181 0.000 2.397 1259 K HA 0.418 4.672 4.320 -0.111 0.000 0.253 1259 K C -1.281 175.372 176.600 0.088 0.000 0.932 1259 K CA -0.572 55.802 56.287 0.145 0.000 0.795 1259 K CB 1.132 33.729 32.500 0.161 0.000 1.159 1259 K HN 0.498 nan 8.250 nan 0.000 0.424 1260 D N 1.457 121.903 120.400 0.076 0.000 2.493 1260 D HA 0.432 5.006 4.640 -0.111 0.000 0.239 1260 D C -1.154 175.260 176.300 0.189 0.000 1.049 1260 D CA -0.472 53.588 54.000 0.101 0.000 1.008 1260 D CB 2.192 43.035 40.800 0.072 0.000 1.398 1260 D HN 0.185 nan 8.370 nan 0.000 0.513 1261 V N 0.515 120.552 119.914 0.204 0.000 2.487 1261 V HA 0.701 4.754 4.120 -0.111 0.000 0.298 1261 V C -0.019 176.191 176.094 0.193 0.000 1.028 1261 V CA -0.583 61.888 62.300 0.284 0.000 0.860 1261 V CB 1.470 33.440 31.823 0.245 0.000 0.991 1261 V HN 0.813 nan 8.190 nan 0.000 0.427 1262 T N 0.306 115.001 114.554 0.236 0.000 2.883 1262 T HA 0.543 4.827 4.350 -0.111 0.000 0.301 1262 T C 0.622 175.445 174.700 0.206 0.000 1.158 1262 T CA 0.012 62.228 62.100 0.193 0.000 1.007 1262 T CB 1.858 70.857 68.868 0.217 0.000 1.186 1262 T HN 0.614 nan 8.240 nan 0.000 0.499 1263 V N -0.646 119.354 119.914 0.143 0.000 2.878 1263 V HA 0.334 4.388 4.120 -0.111 0.000 0.250 1263 V C 0.961 177.115 176.094 0.099 0.000 1.075 1263 V CA 1.241 63.620 62.300 0.133 0.000 1.096 1263 V CB -0.778 31.097 31.823 0.086 0.000 0.724 1263 V HN 1.195 nan 8.190 nan 0.000 0.467 1264 S N -1.029 114.718 115.700 0.079 0.000 2.806 1264 S HA 0.583 4.986 4.470 -0.111 0.000 0.306 1264 S C 0.255 174.846 174.600 -0.015 0.000 1.167 1264 S CA -0.491 57.723 58.200 0.023 0.000 0.847 1264 S CB 1.561 64.757 63.200 -0.006 0.000 1.216 1264 S HN 0.138 nan 8.310 nan 0.000 0.532 1265 L N 0.489 121.622 121.223 -0.150 0.000 2.509 1265 L HA 0.264 4.537 4.340 -0.111 0.000 0.222 1265 L C -0.124 176.598 176.870 -0.247 0.000 1.123 1265 L CA 0.034 54.647 54.840 -0.378 0.000 0.856 1265 L CB -0.731 41.053 42.059 -0.460 0.000 0.985 1265 L HN 0.582 nan 8.230 nan 0.000 0.456 1266 D N 1.342 121.669 120.400 -0.122 0.000 2.571 1266 D HA -0.046 4.528 4.640 -0.111 0.000 0.231 1266 D C -1.401 174.867 176.300 -0.052 0.000 1.133 1266 D CA -0.586 53.365 54.000 -0.082 0.000 0.862 1266 D CB 0.699 41.474 40.800 -0.041 0.000 1.179 1266 D HN -0.016 nan 8.370 nan 0.000 0.474 1267 P HA -0.061 nan 4.420 nan 0.000 0.229 1267 P C 1.049 178.353 177.300 0.007 0.000 1.160 1267 P CA 0.909 63.992 63.100 -0.028 0.000 0.777 1267 P CB 0.189 31.859 31.700 -0.050 0.000 0.814 1268 T N -5.463 109.092 114.554 0.002 0.000 3.040 1268 T HA 0.095 4.379 4.350 -0.111 0.000 0.252 1268 T C 1.083 175.798 174.700 0.025 0.000 1.064 1268 T CA -0.040 62.067 62.100 0.012 0.000 1.110 1268 T CB -1.033 67.837 68.868 0.003 0.000 0.921 1268 T HN -0.028 nan 8.240 nan 0.000 0.480 1269 S N 1.884 117.601 115.700 0.028 0.000 2.806 1269 S HA -0.097 4.307 4.470 -0.111 0.000 0.334 1269 S C 0.174 174.806 174.600 0.053 0.000 1.226 1269 S CA 0.059 58.284 58.200 0.042 0.000 1.017 1269 S CB -0.313 62.922 63.200 0.058 0.000 0.712 1269 S HN 0.570 nan 8.310 nan 0.000 0.491 1270 E N 2.924 123.151 120.200 0.045 0.000 2.415 1270 E HA -0.033 4.251 4.350 -0.111 0.000 0.263 1270 E C 0.120 176.754 176.600 0.057 0.000 0.995 1270 E CA -0.202 56.224 56.400 0.043 0.000 0.915 1270 E CB 0.323 30.042 29.700 0.031 0.000 0.951 1270 E HN 0.515 nan 8.360 nan 0.000 0.449 1271 N N 3.444 122.178 118.700 0.056 0.000 2.452 1271 N HA -0.023 4.651 4.740 -0.111 0.000 0.266 1271 N C 0.178 175.716 175.510 0.047 0.000 1.209 1271 N CA 0.247 53.335 53.050 0.063 0.000 0.929 1271 N CB 0.485 39.007 38.487 0.058 0.000 1.063 1271 N HN 0.443 nan 8.380 nan 0.000 0.472 1272 L N 1.064 122.314 121.223 0.046 0.000 2.628 1272 L HA 0.179 4.452 4.340 -0.111 0.000 0.229 1272 L C 0.454 177.335 176.870 0.019 0.000 1.137 1272 L CA -0.343 54.506 54.840 0.015 0.000 0.909 1272 L CB -0.370 41.676 42.059 -0.022 0.000 1.137 1272 L HN 0.453 nan 8.230 nan 0.000 0.470 1273 D N 1.409 121.836 120.400 0.046 0.000 2.531 1273 D HA 0.123 4.697 4.640 -0.111 0.000 0.239 1273 D C 1.358 177.675 176.300 0.029 0.000 1.144 1273 D CA 1.510 55.540 54.000 0.051 0.000 0.869 1273 D CB 0.905 41.740 40.800 0.059 0.000 1.160 1273 D HN 0.325 nan 8.370 nan 0.000 0.484 1274 G N 2.846 111.660 108.800 0.023 0.000 2.179 1274 G HA2 -0.282 3.612 3.960 -0.111 0.000 0.260 1274 G HA3 -0.282 3.612 3.960 -0.111 0.000 0.260 1274 G C 0.495 175.395 174.900 -0.000 0.000 0.977 1274 G CA 0.798 45.904 45.100 0.011 0.000 0.641 1274 G HN 0.604 nan 8.290 nan 0.000 0.533 1275 Q N -0.780 119.017 119.800 -0.006 0.000 3.207 1275 Q HA 0.719 4.992 4.340 -0.111 0.000 0.224 1275 Q C 0.440 176.422 176.000 -0.030 0.000 1.062 1275 Q CA -0.148 55.645 55.803 -0.015 0.000 0.789 1275 Q CB 0.816 29.546 28.738 -0.013 0.000 2.631 1275 Q HN 0.503 nan 8.270 nan 0.000 0.409 1276 T N -1.925 112.606 114.554 -0.037 0.000 2.918 1276 T HA 0.723 5.007 4.350 -0.111 0.000 0.286 1276 T C -0.671 173.982 174.700 -0.079 0.000 1.026 1276 T CA -0.672 61.399 62.100 -0.048 0.000 1.031 1276 T CB 1.201 70.050 68.868 -0.032 0.000 1.046 1276 T HN 0.233 nan 8.240 nan 0.000 0.479 1277 V N 2.278 122.133 119.914 -0.098 0.000 2.656 1277 V HA 0.402 4.456 4.120 -0.111 0.000 0.307 1277 V C -0.054 175.998 176.094 -0.070 0.000 1.051 1277 V CA -1.006 61.209 62.300 -0.141 0.000 0.893 1277 V CB 1.883 33.508 31.823 -0.330 0.000 0.999 1277 V HN 0.977 nan 8.190 nan 0.000 0.426 1278 Q N 1.986 121.762 119.800 -0.039 0.000 2.354 1278 Q HA 0.404 4.677 4.340 -0.111 0.000 0.244 1278 Q C -0.412 175.565 176.000 -0.038 0.000 0.969 1278 Q CA -0.789 55.000 55.803 -0.023 0.000 0.885 1278 Q CB 1.376 30.117 28.738 0.004 0.000 1.241 1278 Q HN 0.561 nan 8.270 nan 0.000 0.461 1279 L N 2.845 124.007 121.223 -0.101 0.000 2.540 1279 L HA -0.147 4.127 4.340 -0.111 0.000 0.276 1279 L C -0.636 176.099 176.870 -0.225 0.000 1.212 1279 L CA 0.971 55.644 54.840 -0.279 0.000 0.893 1279 L CB -0.472 41.317 42.059 -0.450 0.000 1.138 1279 L HN 0.680 nan 8.230 nan 0.000 0.491 1280 Y N 0.761 121.090 120.300 0.048 0.000 4.916 1280 Y HA -0.306 4.178 4.550 -0.111 0.000 0.247 1280 Y C 0.953 176.882 175.900 0.048 0.000 0.962 1280 Y CA 1.089 59.212 58.100 0.037 0.000 1.933 1280 Y CB -2.298 36.175 38.460 0.021 0.000 1.451 1280 Y HN 0.753 nan 8.280 nan 0.000 0.539 1281 Q N 1.225 121.127 119.800 0.171 0.000 2.337 1281 Q HA 0.304 4.578 4.340 -0.111 0.000 0.270 1281 Q C 0.080 176.206 176.000 0.210 0.000 1.002 1281 Q CA 0.491 56.389 55.803 0.159 0.000 0.888 1281 Q CB 0.719 29.528 28.738 0.119 0.000 1.222 1281 Q HN 0.295 nan 8.270 nan 0.000 0.400 1282 T N 5.403 120.041 114.554 0.139 0.000 2.856 1282 T HA 0.523 4.806 4.350 -0.111 0.000 0.292 1282 T C -0.766 174.021 174.700 0.146 0.000 0.980 1282 T CA -0.221 61.916 62.100 0.062 0.000 1.091 1282 T CB 0.128 68.993 68.868 -0.005 0.000 0.936 1282 T HN 0.499 nan 8.240 nan 0.000 0.503 1283 F N 0.670 120.572 119.950 -0.079 0.000 2.789 1283 F HA 0.655 5.114 4.527 -0.114 0.000 0.319 1283 F C -1.136 174.605 175.800 -0.099 0.000 1.168 1283 F CA -1.394 56.557 58.000 -0.081 0.000 0.934 1283 F CB 1.389 40.328 39.000 -0.101 0.000 1.375 1283 F HN 0.235 nan 8.300 nan 0.000 0.480 1284 N N 0.310 119.065 118.700 0.092 0.000 2.321 1284 N HA 0.273 4.947 4.740 -0.111 0.000 0.299 1284 N C -2.047 173.558 175.510 0.157 0.000 1.048 1284 N CA -0.448 52.636 53.050 0.056 0.000 0.836 1284 N CB 1.900 40.564 38.487 0.294 0.000 1.269 1284 N HN 0.481 nan 8.380 nan 0.000 0.486 1285 Y N 1.016 121.364 120.300 0.079 0.000 2.350 1285 Y HA 0.244 4.734 4.550 -0.099 0.000 0.340 1285 Y C 0.873 176.712 175.900 -0.100 0.000 1.006 1285 Y CA -0.567 57.568 58.100 0.057 0.000 1.166 1285 Y CB 0.679 39.153 38.460 0.023 0.000 1.168 1285 Y HN 0.222 nan 8.280 nan 0.000 0.502 1286 R N 5.286 125.790 120.500 0.007 0.000 2.229 1286 R HA 0.504 4.777 4.340 -0.111 0.000 0.332 1286 R C -1.675 174.461 176.300 -0.273 0.000 0.989 1286 R CA -0.445 55.421 56.100 -0.389 0.000 0.842 1286 R CB 0.187 30.194 30.300 -0.488 0.000 1.119 1286 R HN 0.730 nan 8.270 nan 0.000 0.456 1287 L N 7.226 128.218 121.223 -0.385 0.000 2.283 1287 L HA 0.438 4.712 4.340 -0.111 0.000 0.281 1287 L C -0.284 176.506 176.870 -0.135 0.000 1.033 1287 L CA -0.658 53.900 54.840 -0.470 0.000 0.848 1287 L CB 1.296 42.748 42.059 -1.011 0.000 1.226 1287 L HN 0.547 nan 8.230 nan 0.000 0.429 1288 I N 2.510 123.146 120.570 0.110 0.000 2.325 1288 I HA 0.323 4.427 4.170 -0.111 0.000 0.291 1288 I C 1.190 177.558 176.117 0.417 0.000 1.019 1288 I CA -0.045 61.401 61.300 0.245 0.000 1.302 1288 I CB 1.336 39.430 38.000 0.158 0.000 1.401 1288 I HN 0.592 nan 8.210 nan 0.000 0.485 1289 G N 3.962 113.062 108.800 0.500 0.000 2.599 1289 G HA2 0.461 4.354 3.960 -0.111 0.000 0.264 1289 G HA3 0.461 4.354 3.960 -0.111 0.000 0.264 1289 G C 0.273 175.326 174.900 0.254 0.000 1.200 1289 G CA -0.472 44.873 45.100 0.408 0.000 0.896 1289 G HN 0.766 nan 8.290 nan 0.000 0.536 1290 G N -1.326 107.528 108.800 0.090 0.000 2.569 1290 G HA2 0.403 4.296 3.960 -0.111 0.000 0.249 1290 G HA3 0.403 4.296 3.960 -0.111 0.000 0.249 1290 G C -0.336 174.647 174.900 0.137 0.000 1.216 1290 G CA -0.626 44.482 45.100 0.013 0.000 0.845 1290 G HN 0.605 nan 8.290 nan 0.000 0.568 1291 L N 2.079 123.340 121.223 0.063 0.000 2.265 1291 L HA 0.335 4.608 4.340 -0.111 0.000 0.288 1291 L C -0.248 176.661 176.870 0.065 0.000 1.058 1291 L CA -0.985 53.901 54.840 0.077 0.000 0.809 1291 L CB 0.611 42.697 42.059 0.044 0.000 1.179 1291 L HN 0.240 nan 8.230 nan 0.000 0.429 1292 I N 7.184 127.815 120.570 0.103 0.000 2.312 1292 I HA 0.306 4.409 4.170 -0.111 0.000 0.291 1292 I C -1.992 174.161 176.117 0.060 0.000 1.031 1292 I CA -2.380 58.947 61.300 0.046 0.000 1.293 1292 I CB 0.497 38.488 38.000 -0.015 0.000 1.403 1292 I HN 0.385 nan 8.210 nan 0.000 0.484 1293 P HA 0.131 nan 4.420 nan 0.000 0.274 1293 P C -0.293 177.127 177.300 0.200 0.000 1.237 1293 P CA -0.448 62.718 63.100 0.110 0.000 0.793 1293 P CB 0.777 32.530 31.700 0.089 0.000 0.977 1294 Q N 0.737 120.626 119.800 0.148 0.000 2.539 1294 Q HA -0.088 4.186 4.340 -0.111 0.000 0.268 1294 Q C 0.572 176.629 176.000 0.096 0.000 1.109 1294 Q CA 0.549 56.429 55.803 0.129 0.000 0.968 1294 Q CB -0.303 28.471 28.738 0.061 0.000 1.309 1294 Q HN 0.477 nan 8.270 nan 0.000 0.497 1295 N N 0.368 119.058 118.700 -0.016 0.000 2.758 1295 N HA -0.172 4.502 4.740 -0.111 0.000 0.248 1295 N C -1.092 174.397 175.510 -0.036 0.000 1.076 1295 N CA 0.903 53.917 53.050 -0.060 0.000 0.696 1295 N CB -1.043 37.438 38.487 -0.011 0.000 0.979 1295 N HN 0.670 nan 8.380 nan 0.000 0.550 1296 H N -2.244 116.833 119.070 0.011 0.000 2.495 1296 H HA 0.508 5.002 4.556 -0.105 0.000 0.350 1296 H C 1.253 176.587 175.328 0.010 0.000 1.202 1296 H CA 0.044 56.101 56.048 0.016 0.000 1.322 1296 H CB 0.930 30.705 29.762 0.022 0.000 1.544 1296 H HN 0.197 nan 8.280 nan 0.000 0.565 1297 S N -0.144 115.637 115.700 0.136 0.000 2.486 1297 S HA 0.007 4.411 4.470 -0.111 0.000 0.220 1297 S C 0.391 175.030 174.600 0.064 0.000 1.011 1297 S CA 0.237 58.475 58.200 0.063 0.000 0.921 1297 S CB -0.196 63.047 63.200 0.072 0.000 0.785 1297 S HN 0.825 nan 8.310 nan 0.000 0.517 1298 E N -0.178 120.099 120.200 0.129 0.000 2.449 1298 E HA 0.417 4.700 4.350 -0.111 0.000 0.278 1298 E C -1.493 175.186 176.600 0.131 0.000 0.992 1298 E CA -1.173 55.284 56.400 0.095 0.000 0.807 1298 E CB 0.521 30.267 29.700 0.078 0.000 1.350 1298 E HN -0.088 nan 8.360 nan 0.000 0.462 1299 E N 1.107 121.341 120.200 0.057 0.000 2.481 1299 E HA 0.044 4.328 4.350 -0.111 0.000 0.263 1299 E C -0.072 176.527 176.600 -0.002 0.000 0.992 1299 E CA 0.316 56.732 56.400 0.026 0.000 0.938 1299 E CB 0.396 30.089 29.700 -0.011 0.000 0.933 1299 E HN 0.331 nan 8.360 nan 0.000 0.453 1300 L N 3.079 124.256 121.223 -0.075 0.000 2.319 1300 L HA 0.086 4.360 4.340 -0.111 0.000 0.280 1300 L C 1.432 178.242 176.870 -0.100 0.000 1.099 1300 L CA -0.094 54.660 54.840 -0.143 0.000 0.828 1300 L CB 0.428 42.278 42.059 -0.347 0.000 1.150 1300 L HN 0.412 nan 8.230 nan 0.000 0.442 1301 E N 1.280 121.457 120.200 -0.039 0.000 2.399 1301 E HA 0.080 4.364 4.350 -0.111 0.000 0.205 1301 E C -0.496 176.124 176.600 0.033 0.000 0.906 1301 E CA 0.299 56.697 56.400 -0.003 0.000 0.998 1301 E CB 0.944 30.652 29.700 0.012 0.000 1.002 1301 E HN 0.660 nan 8.360 nan 0.000 0.501 1302 D N -0.490 119.937 120.400 0.045 0.000 2.855 1302 D HA 0.205 4.779 4.640 -0.111 0.000 0.241 1302 D C -1.857 174.535 176.300 0.154 0.000 1.277 1302 D CA -0.613 53.445 54.000 0.096 0.000 0.918 1302 D CB 0.953 41.790 40.800 0.062 0.000 1.462 1302 D HN -0.125 nan 8.370 nan 0.000 0.559 1303 Y N 3.431 123.778 120.300 0.080 0.000 2.317 1303 Y HA 0.438 4.950 4.550 -0.063 0.000 0.329 1303 Y C -1.246 174.751 175.900 0.162 0.000 1.101 1303 Y CA -0.404 57.756 58.100 0.100 0.000 1.228 1303 Y CB 1.046 39.580 38.460 0.123 0.000 1.123 1303 Y HN 0.453 nan 8.280 nan 0.000 0.457 1304 S N 3.987 119.639 115.700 -0.080 0.000 2.667 1304 S HA 0.790 5.193 4.470 -0.111 0.000 0.292 1304 S C -1.539 172.912 174.600 -0.249 0.000 1.126 1304 S CA -0.637 57.556 58.200 -0.011 0.000 0.881 1304 S CB 1.756 65.003 63.200 0.078 0.000 1.132 1304 S HN 0.368 nan 8.310 nan 0.000 0.492 1305 F N 0.509 120.522 119.950 0.105 0.000 2.539 1305 F HA 0.597 5.069 4.527 -0.092 0.000 0.328 1305 F C -0.672 175.186 175.800 0.096 0.000 1.148 1305 F CA -0.871 57.227 58.000 0.163 0.000 0.940 1305 F CB 2.260 41.230 39.000 -0.050 0.000 1.194 1305 F HN 0.399 nan 8.300 nan 0.000 0.438 1306 V N 2.729 122.843 119.914 0.332 0.000 2.409 1306 V HA 0.363 4.417 4.120 -0.111 0.000 0.291 1306 V C -1.028 175.189 176.094 0.204 0.000 1.020 1306 V CA -0.539 61.864 62.300 0.172 0.000 0.848 1306 V CB 1.766 33.642 31.823 0.089 0.000 0.990 1306 V HN 0.638 nan 8.190 nan 0.000 0.430 1307 D N 3.535 124.015 120.400 0.133 0.000 2.420 1307 D HA 0.170 4.743 4.640 -0.111 0.000 0.255 1307 D C -1.052 175.337 176.300 0.149 0.000 1.185 1307 D CA -0.309 53.787 54.000 0.161 0.000 0.904 1307 D CB 1.470 42.351 40.800 0.134 0.000 1.102 1307 D HN 0.493 nan 8.370 nan 0.000 0.534 1308 D N 3.892 124.331 120.400 0.065 0.000 2.468 1308 D HA 0.072 4.645 4.640 -0.111 0.000 0.218 1308 D C -0.361 175.912 176.300 -0.044 0.000 1.155 1308 D CA -0.247 53.715 54.000 -0.063 0.000 0.924 1308 D CB -0.201 40.563 40.800 -0.059 0.000 1.029 1308 D HN 0.364 nan 8.370 nan 0.000 0.515 1309 Y N 0.161 120.488 120.300 0.044 0.000 2.458 1309 Y HA 0.456 4.935 4.550 -0.117 0.000 0.322 1309 Y C 0.391 176.344 175.900 0.089 0.000 1.259 1309 Y CA -1.480 56.670 58.100 0.083 0.000 1.302 1309 Y CB 0.375 38.927 38.460 0.154 0.000 1.314 1309 Y HN -0.007 nan 8.280 nan 0.000 0.509 1310 D N 1.970 122.544 120.400 0.290 0.000 2.402 1310 D HA -0.014 4.560 4.640 -0.111 0.000 0.235 1310 D C 0.852 177.255 176.300 0.172 0.000 1.226 1310 D CA -0.249 53.862 54.000 0.186 0.000 0.918 1310 D CB 0.734 41.698 40.800 0.274 0.000 1.043 1310 D HN 0.752 nan 8.370 nan 0.000 0.506 1311 Q N 3.035 122.881 119.800 0.078 0.000 2.437 1311 Q HA -0.130 4.143 4.340 -0.111 0.000 0.210 1311 Q C 1.229 177.260 176.000 0.052 0.000 0.972 1311 Q CA 0.824 56.697 55.803 0.117 0.000 0.903 1311 Q CB -0.263 28.500 28.738 0.041 0.000 0.967 1311 Q HN 0.417 nan 8.270 nan 0.000 0.486 1312 A N 1.055 123.896 122.820 0.035 0.000 2.015 1312 A HA 0.087 4.341 4.320 -0.111 0.000 0.219 1312 A C 2.106 179.564 177.584 -0.209 0.000 1.163 1312 A CA 1.381 53.434 52.037 0.027 0.000 0.646 1312 A CB -0.456 18.650 19.000 0.176 0.000 0.806 1312 A HN 0.552 nan 8.150 nan 0.000 0.448 1313 G N -2.002 106.415 108.800 -0.638 0.000 2.815 1313 G HA2 0.316 4.210 3.960 -0.111 0.000 0.215 1313 G HA3 0.316 4.210 3.960 -0.111 0.000 0.215 1313 G C -0.427 174.144 174.900 -0.548 0.000 1.054 1313 G CA 0.122 44.418 45.100 -1.340 0.000 0.832 1313 G HN 0.303 nan 8.290 nan 0.000 0.557 1314 D N 0.033 120.319 120.400 -0.190 0.000 2.498 1314 D HA 0.422 4.996 4.640 -0.111 0.000 0.247 1314 D C -0.860 175.461 176.300 0.035 0.000 1.070 1314 D CA -0.214 53.785 54.000 -0.002 0.000 0.842 1314 D CB 2.237 43.130 40.800 0.155 0.000 1.361 1314 D HN 0.157 nan 8.370 nan 0.000 0.484 1315 Q N 2.165 121.925 119.800 -0.066 0.000 2.337 1315 Q HA 0.229 4.503 4.340 -0.111 0.000 0.270 1315 Q C -1.509 174.390 176.000 -0.169 0.000 1.043 1315 Q CA -0.869 54.911 55.803 -0.040 0.000 0.794 1315 Q CB 1.792 30.530 28.738 -0.000 0.000 1.281 1315 Q HN 0.470 nan 8.270 nan 0.000 0.446 1316 Y N 3.071 123.178 120.300 -0.322 0.000 2.359 1316 Y HA 0.125 4.616 4.550 -0.097 0.000 0.334 1316 Y C 0.920 176.723 175.900 -0.162 0.000 1.058 1316 Y CA 0.576 58.478 58.100 -0.330 0.000 1.244 1316 Y CB 1.346 39.627 38.460 -0.297 0.000 1.187 1316 Y HN 0.754 nan 8.280 nan 0.000 0.510 1317 T N 1.255 115.462 114.554 -0.578 0.000 3.148 1317 T HA 0.216 4.500 4.350 -0.111 0.000 0.253 1317 T C 1.385 175.669 174.700 -0.693 0.000 1.134 1317 T CA 0.481 62.285 62.100 -0.493 0.000 1.051 1317 T CB -0.598 68.070 68.868 -0.333 0.000 0.959 1317 T HN 1.412 nan 8.240 nan 0.000 0.525 1318 G N 1.367 109.271 108.800 -1.494 0.000 2.176 1318 G HA2 -0.221 3.673 3.960 -0.111 0.000 0.253 1318 G HA3 -0.221 3.673 3.960 -0.111 0.000 0.253 1318 G C -0.171 174.467 174.900 -0.436 0.000 0.979 1318 G CA -0.123 44.406 45.100 -0.951 0.000 0.641 1318 G HN 0.630 nan 8.290 nan 0.000 0.530 1319 N N -0.026 118.445 118.700 -0.381 0.000 2.362 1319 N HA 0.691 5.365 4.740 -0.111 0.000 0.298 1319 N C -0.620 175.005 175.510 0.192 0.000 1.048 1319 N CA -0.001 53.003 53.050 -0.076 0.000 0.858 1319 N CB 1.831 40.247 38.487 -0.117 0.000 1.218 1319 N HN 0.639 nan 8.380 nan 0.000 0.488 1320 Y N -1.140 119.188 120.300 0.047 0.000 2.609 1320 Y HA 0.584 5.075 4.550 -0.099 0.000 0.336 1320 Y C -1.565 174.296 175.900 -0.065 0.000 1.129 1320 Y CA -1.044 57.079 58.100 0.037 0.000 1.040 1320 Y CB 1.439 39.925 38.460 0.042 0.000 1.310 1320 Y HN 0.070 nan 8.280 nan 0.000 0.460 1321 K N 1.541 121.913 120.400 -0.046 0.000 2.435 1321 K HA 0.655 4.908 4.320 -0.111 0.000 0.251 1321 K C -1.470 174.973 176.600 -0.263 0.000 0.954 1321 K CA -0.951 55.138 56.287 -0.331 0.000 0.820 1321 K CB 2.444 34.743 32.500 -0.334 0.000 1.292 1321 K HN 0.906 nan 8.250 nan 0.000 0.436 1322 T N 1.992 116.215 114.554 -0.552 0.000 2.848 1322 T HA 0.652 4.936 4.350 -0.111 0.000 0.285 1322 T C -1.021 173.330 174.700 -0.581 0.000 0.995 1322 T CA -0.499 61.360 62.100 -0.401 0.000 0.970 1322 T CB 0.375 69.080 68.868 -0.272 0.000 0.976 1322 T HN 0.253 nan 8.240 nan 0.000 0.441 1323 F N 1.288 121.312 119.950 0.124 0.000 2.576 1323 F HA 0.515 4.974 4.527 -0.113 0.000 0.313 1323 F C 0.859 176.745 175.800 0.144 0.000 1.078 1323 F CA -1.143 56.929 58.000 0.120 0.000 0.921 1323 F CB 1.608 40.674 39.000 0.111 0.000 1.232 1323 F HN 0.531 nan 8.300 nan 0.000 0.459 1324 S N 0.062 115.926 115.700 0.274 0.000 2.572 1324 S HA 0.176 4.579 4.470 -0.111 0.000 0.279 1324 S C 0.485 175.152 174.600 0.112 0.000 1.341 1324 S CA -0.508 57.758 58.200 0.110 0.000 1.043 1324 S CB 1.238 64.475 63.200 0.061 0.000 0.887 1324 S HN 0.609 nan 8.310 nan 0.000 0.516 1325 S N 1.711 117.424 115.700 0.022 0.000 2.503 1325 S HA 0.320 4.723 4.470 -0.111 0.000 0.215 1325 S C 0.317 174.922 174.600 0.009 0.000 1.003 1325 S CA -0.111 58.114 58.200 0.042 0.000 0.910 1325 S CB -0.465 62.764 63.200 0.048 0.000 0.790 1325 S HN 0.634 nan 8.310 nan 0.000 0.514 1326 L N 0.903 122.108 121.223 -0.029 0.000 2.341 1326 L HA 0.488 4.761 4.340 -0.111 0.000 0.254 1326 L C -0.831 176.036 176.870 -0.006 0.000 1.040 1326 L CA -1.233 53.597 54.840 -0.015 0.000 0.837 1326 L CB 0.839 42.881 42.059 -0.027 0.000 1.425 1326 L HN -0.114 nan 8.230 nan 0.000 0.414 1327 N N 1.968 120.675 118.700 0.012 0.000 2.483 1327 N HA 0.336 5.010 4.740 -0.111 0.000 0.264 1327 N C -1.028 174.498 175.510 0.027 0.000 1.197 1327 N CA 0.174 53.240 53.050 0.026 0.000 0.927 1327 N CB 0.618 39.122 38.487 0.028 0.000 1.065 1327 N HN 0.346 nan 8.380 nan 0.000 0.461 1328 L N 1.462 122.712 121.223 0.046 0.000 2.322 1328 L HA 0.384 4.658 4.340 -0.111 0.000 0.281 1328 L C 0.378 177.284 176.870 0.059 0.000 1.014 1328 L CA -0.659 54.219 54.840 0.062 0.000 0.815 1328 L CB 1.648 43.767 42.059 0.100 0.000 1.247 1328 L HN 0.266 nan 8.230 nan 0.000 0.421 1329 T N 4.202 118.784 114.554 0.047 0.000 2.749 1329 T HA 0.499 4.782 4.350 -0.111 0.000 0.287 1329 T C 0.221 174.928 174.700 0.011 0.000 0.970 1329 T CA -0.637 61.481 62.100 0.030 0.000 0.980 1329 T CB 0.884 69.765 68.868 0.023 0.000 0.924 1329 T HN 0.289 nan 8.240 nan 0.000 0.456 1330 M N 2.499 122.101 119.600 0.004 0.000 2.283 1330 M HA 0.397 4.810 4.480 -0.111 0.000 0.314 1330 M C 1.510 177.795 176.300 -0.024 0.000 1.153 1330 M CA -0.534 54.752 55.300 -0.025 0.000 1.084 1330 M CB 0.348 32.940 32.600 -0.014 0.000 1.468 1330 M HN 0.504 nan 8.290 nan 0.000 0.474 1331 K N 0.781 121.157 120.400 -0.040 0.000 2.152 1331 K HA -0.202 4.051 4.320 -0.111 0.000 0.206 1331 K C 1.080 177.668 176.600 -0.019 0.000 1.048 1331 K CA 1.895 58.161 56.287 -0.034 0.000 0.933 1331 K CB -0.186 32.289 32.500 -0.042 0.000 0.721 1331 K HN 0.739 nan 8.250 nan 0.000 0.447 1332 D N -0.998 119.395 120.400 -0.012 0.000 2.371 1332 D HA -0.055 4.519 4.640 -0.111 0.000 0.221 1332 D C 1.180 177.481 176.300 0.003 0.000 0.986 1332 D CA 1.153 55.152 54.000 -0.002 0.000 0.899 1332 D CB 0.152 40.955 40.800 0.006 0.000 0.902 1332 D HN 0.306 nan 8.370 nan 0.000 0.530 1333 G N -0.203 108.598 108.800 0.002 0.000 2.234 1333 G HA2 -0.282 3.611 3.960 -0.111 0.000 0.235 1333 G HA3 -0.282 3.611 3.960 -0.111 0.000 0.235 1333 G C 0.483 175.392 174.900 0.015 0.000 0.997 1333 G CA 0.401 45.504 45.100 0.006 0.000 0.623 1333 G HN 0.849 nan 8.290 nan 0.000 0.514 1334 S N -0.593 115.120 115.700 0.021 0.000 2.589 1334 S HA 0.602 5.006 4.470 -0.111 0.000 0.265 1334 S C 0.111 174.734 174.600 0.038 0.000 1.342 1334 S CA 0.172 58.391 58.200 0.031 0.000 1.005 1334 S CB 2.238 65.462 63.200 0.041 0.000 0.909 1334 S HN 1.168 nan 8.310 nan 0.000 0.555 1335 V N 1.687 121.628 119.914 0.045 0.000 2.531 1335 V HA 0.424 4.478 4.120 -0.111 0.000 0.301 1335 V C -0.336 175.799 176.094 0.068 0.000 1.034 1335 V CA -0.672 61.659 62.300 0.051 0.000 0.865 1335 V CB 1.347 33.194 31.823 0.040 0.000 0.995 1335 V HN 0.852 nan 8.190 nan 0.000 0.424 1336 I N 5.170 125.793 120.570 0.089 0.000 2.312 1336 I HA 0.360 4.464 4.170 -0.111 0.000 0.290 1336 I C 0.439 176.607 176.117 0.086 0.000 1.008 1336 I CA -0.502 60.863 61.300 0.108 0.000 1.226 1336 I CB 1.021 39.125 38.000 0.174 0.000 1.371 1336 I HN 0.501 nan 8.210 nan 0.000 0.468 1337 K N 4.823 125.266 120.400 0.073 0.000 2.202 1337 K HA 0.472 4.725 4.320 -0.111 0.000 0.264 1337 K C 0.122 176.759 176.600 0.062 0.000 1.010 1337 K CA -0.549 55.772 56.287 0.057 0.000 0.940 1337 K CB 1.056 33.583 32.500 0.046 0.000 0.983 1337 K HN 0.678 nan 8.250 nan 0.000 0.475 1338 A N 0.778 123.626 122.820 0.046 0.000 2.565 1338 A HA 0.290 4.543 4.320 -0.111 0.000 0.237 1338 A C 1.250 178.867 177.584 0.056 0.000 1.053 1338 A CA 1.075 53.139 52.037 0.046 0.000 0.755 1338 A CB -0.721 18.296 19.000 0.028 0.000 0.980 1338 A HN 0.953 nan 8.150 nan 0.000 0.506 1339 G N 1.729 110.580 108.800 0.084 0.000 2.176 1339 G HA2 -0.207 3.686 3.960 -0.111 0.000 0.253 1339 G HA3 -0.207 3.686 3.960 -0.111 0.000 0.253 1339 G C 0.440 175.456 174.900 0.194 0.000 0.979 1339 G CA 0.502 45.645 45.100 0.072 0.000 0.641 1339 G HN 1.246 nan 8.290 nan 0.000 0.530 1340 T N 1.744 116.419 114.554 0.202 0.000 2.870 1340 T HA 0.369 4.652 4.350 -0.111 0.000 0.300 1340 T C 0.178 175.042 174.700 0.273 0.000 0.989 1340 T CA 0.220 62.441 62.100 0.201 0.000 1.139 1340 T CB 1.302 70.248 68.868 0.130 0.000 0.920 1340 T HN 0.295 nan 8.240 nan 0.000 0.537 1341 D N 3.035 123.577 120.400 0.236 0.000 2.412 1341 D HA 0.003 4.577 4.640 -0.111 0.000 0.257 1341 D C 0.270 176.505 176.300 -0.108 0.000 1.217 1341 D CA 0.159 54.142 54.000 -0.029 0.000 0.897 1341 D CB 0.375 41.154 40.800 -0.035 0.000 1.132 1341 D HN 0.474 nan 8.370 nan 0.000 0.493 1342 L N 3.474 124.589 121.223 -0.180 0.000 3.066 1342 L HA 0.067 4.341 4.340 -0.111 0.000 0.265 1342 L C 2.012 178.744 176.870 -0.230 0.000 1.232 1342 L CA -0.213 54.536 54.840 -0.151 0.000 1.031 1342 L CB 0.308 42.373 42.059 0.010 0.000 1.379 1342 L HN 0.309 nan 8.230 nan 0.000 0.563 1343 T N -0.385 113.985 114.554 -0.307 0.000 2.737 1343 T HA -0.212 4.072 4.350 -0.111 0.000 0.269 1343 T C 2.026 176.589 174.700 -0.228 0.000 1.040 1343 T CA 2.079 63.985 62.100 -0.323 0.000 1.142 1343 T CB -0.112 68.488 68.868 -0.446 0.000 0.861 1343 T HN 0.557 nan 8.240 nan 0.000 0.456 1344 S N 0.985 116.569 115.700 -0.193 0.000 2.555 1344 S HA -0.017 4.386 4.470 -0.111 0.000 0.230 1344 S C 1.555 176.090 174.600 -0.109 0.000 0.978 1344 S CA 0.313 58.434 58.200 -0.131 0.000 0.934 1344 S CB -0.182 62.955 63.200 -0.105 0.000 0.766 1344 S HN 0.331 nan 8.310 nan 0.000 0.533 1345 Q N 2.021 121.721 119.800 -0.167 0.000 2.222 1345 Q HA 0.215 4.488 4.340 -0.111 0.000 0.206 1345 Q C 0.436 176.413 176.000 -0.039 0.000 0.877 1345 Q CA 0.282 56.002 55.803 -0.137 0.000 0.958 1345 Q CB 0.323 28.765 28.738 -0.493 0.000 1.075 1345 Q HN 0.843 nan 8.270 nan 0.000 0.483 1346 T N -2.171 112.325 114.554 -0.097 0.000 2.916 1346 T HA 0.699 4.983 4.350 -0.111 0.000 0.292 1346 T C 0.072 174.792 174.700 0.033 0.000 1.064 1346 T CA -0.672 61.374 62.100 -0.090 0.000 1.011 1346 T CB 2.445 71.174 68.868 -0.232 0.000 1.152 1346 T HN 0.069 nan 8.240 nan 0.000 0.510 1347 T N -1.717 112.868 114.554 0.051 0.000 2.916 1347 T HA 0.843 5.127 4.350 -0.111 0.000 0.292 1347 T C -0.699 174.023 174.700 0.036 0.000 1.064 1347 T CA -0.934 61.212 62.100 0.077 0.000 1.011 1347 T CB 1.567 70.473 68.868 0.064 0.000 1.152 1347 T HN 1.343 nan 8.240 nan 0.000 0.510 1348 A N 1.209 124.057 122.820 0.047 0.000 2.393 1348 A HA 0.724 4.977 4.320 -0.111 0.000 0.306 1348 A C -0.684 176.907 177.584 0.011 0.000 1.050 1348 A CA -0.926 51.084 52.037 -0.045 0.000 0.724 1348 A CB 1.168 20.108 19.000 -0.100 0.000 1.248 1348 A HN 0.868 nan 8.150 nan 0.000 0.424 1349 E N 1.134 121.326 120.200 -0.013 0.000 2.179 1349 E HA 0.573 4.856 4.350 -0.111 0.000 0.275 1349 E C -0.225 176.389 176.600 0.023 0.000 0.945 1349 E CA -0.644 55.767 56.400 0.018 0.000 0.792 1349 E CB 1.966 31.674 29.700 0.013 0.000 1.125 1349 E HN 0.731 nan 8.360 nan 0.000 0.397 1350 T N -0.965 113.630 114.554 0.067 0.000 2.940 1350 T HA 0.533 4.816 4.350 -0.111 0.000 0.288 1350 T C -0.722 174.029 174.700 0.084 0.000 1.045 1350 T CA -0.931 61.232 62.100 0.105 0.000 1.018 1350 T CB 1.785 70.778 68.868 0.208 0.000 1.151 1350 T HN 0.349 nan 8.240 nan 0.000 0.529 1351 D N -0.487 119.973 120.400 0.100 0.000 2.474 1351 D HA 0.423 4.997 4.640 -0.111 0.000 0.234 1351 D C 0.721 177.069 176.300 0.080 0.000 1.323 1351 D CA -0.297 53.739 54.000 0.061 0.000 0.915 1351 D CB 0.746 41.556 40.800 0.015 0.000 1.487 1351 D HN 0.669 nan 8.370 nan 0.000 0.524 1352 A N 1.895 124.780 122.820 0.107 0.000 2.015 1352 A HA -0.061 4.192 4.320 -0.111 0.000 0.219 1352 A C 1.915 179.544 177.584 0.075 0.000 1.163 1352 A CA 1.713 53.831 52.037 0.134 0.000 0.646 1352 A CB -0.204 18.866 19.000 0.118 0.000 0.806 1352 A HN 0.511 nan 8.150 nan 0.000 0.448 1353 T N 0.769 115.347 114.554 0.038 0.000 2.668 1353 T HA -0.117 4.167 4.350 -0.111 0.000 0.262 1353 T C 1.536 176.227 174.700 -0.015 0.000 1.045 1353 T CA 1.503 63.612 62.100 0.016 0.000 1.152 1353 T CB -0.404 68.471 68.868 0.011 0.000 0.864 1353 T HN 0.622 nan 8.240 nan 0.000 0.419 1354 N N 0.820 119.495 118.700 -0.042 0.000 2.449 1354 N HA 0.154 4.828 4.740 -0.111 0.000 0.191 1354 N C 0.718 176.105 175.510 -0.205 0.000 1.161 1354 N CA 0.082 53.078 53.050 -0.089 0.000 0.863 1354 N CB 0.214 38.656 38.487 -0.074 0.000 0.980 1354 N HN 0.479 nan 8.380 nan 0.000 0.458 1355 G N 2.129 110.783 108.800 -0.243 0.000 2.342 1355 G HA2 -0.243 3.651 3.960 -0.111 0.000 0.267 1355 G HA3 -0.243 3.651 3.960 -0.111 0.000 0.267 1355 G C -0.390 173.858 174.900 -1.086 0.000 0.922 1355 G CA 0.198 44.876 45.100 -0.703 0.000 1.342 1355 G HN 0.331 nan 8.290 nan 0.000 0.430 1356 I N 0.065 120.380 120.570 -0.424 0.000 2.752 1356 I HA 0.628 4.732 4.170 -0.111 0.000 0.295 1356 I C -0.388 175.769 176.117 0.066 0.000 1.219 1356 I CA -1.309 59.890 61.300 -0.169 0.000 1.030 1356 I CB 2.321 40.256 38.000 -0.108 0.000 1.259 1356 I HN 0.245 nan 8.210 nan 0.000 0.423 1357 V N 4.191 124.145 119.914 0.067 0.000 2.789 1357 V HA 0.728 4.782 4.120 -0.111 0.000 0.311 1357 V C -0.900 175.138 176.094 -0.094 0.000 1.073 1357 V CA 0.146 62.390 62.300 -0.092 0.000 0.921 1357 V CB 2.493 34.049 31.823 -0.445 0.000 1.009 1357 V HN 0.852 nan 8.190 nan 0.000 0.426 1358 T N 5.309 119.801 114.554 -0.103 0.000 2.881 1358 T HA 0.627 4.911 4.350 -0.111 0.000 0.290 1358 T C -0.996 173.633 174.700 -0.117 0.000 1.000 1358 T CA -0.373 61.694 62.100 -0.055 0.000 0.978 1358 T CB 1.570 70.436 68.868 -0.003 0.000 0.997 1358 T HN 0.612 nan 8.240 nan 0.000 0.443 1359 V N 4.403 124.268 119.914 -0.083 0.000 2.448 1359 V HA 0.557 4.611 4.120 -0.111 0.000 0.295 1359 V C -0.144 176.017 176.094 0.113 0.000 1.025 1359 V CA -0.866 61.343 62.300 -0.152 0.000 0.859 1359 V CB 1.590 33.149 31.823 -0.439 0.000 0.988 1359 V HN 0.718 nan 8.190 nan 0.000 0.431 1360 R N 3.596 124.138 120.500 0.070 0.000 2.534 1360 R HA 0.540 4.814 4.340 -0.111 0.000 0.301 1360 R C -1.116 175.273 176.300 0.148 0.000 0.961 1360 R CA -0.676 55.525 56.100 0.168 0.000 0.871 1360 R CB 2.024 32.403 30.300 0.132 0.000 1.170 1360 R HN 0.489 nan 8.270 nan 0.000 0.446 1361 F N 2.168 122.303 119.950 0.307 0.000 2.563 1361 F HA 0.041 4.495 4.527 -0.122 0.000 0.363 1361 F C 1.201 177.125 175.800 0.207 0.000 1.123 1361 F CA 0.490 58.662 58.000 0.288 0.000 1.307 1361 F CB 0.518 39.740 39.000 0.369 0.000 1.115 1361 F HN 0.142 nan 8.300 nan 0.000 0.592 1362 K N 2.570 123.202 120.400 0.386 0.000 2.350 1362 K HA -0.015 4.238 4.320 -0.111 0.000 0.279 1362 K C 1.077 177.843 176.600 0.276 0.000 1.027 1362 K CA -0.142 56.306 56.287 0.268 0.000 0.969 1362 K CB 0.733 33.366 32.500 0.222 0.000 0.954 1362 K HN 0.699 nan 8.250 nan 0.000 0.474 1363 E N 2.179 122.484 120.200 0.175 0.000 2.153 1363 E HA -0.225 4.059 4.350 -0.111 0.000 0.194 1363 E C 0.600 177.259 176.600 0.098 0.000 0.988 1363 E CA 1.290 57.759 56.400 0.115 0.000 0.811 1363 E CB 0.255 30.001 29.700 0.076 0.000 0.746 1363 E HN 0.503 nan 8.360 nan 0.000 0.466 1364 D N -0.048 120.425 120.400 0.122 0.000 2.149 1364 D HA -0.189 4.384 4.640 -0.111 0.000 0.198 1364 D C 1.529 177.917 176.300 0.147 0.000 0.990 1364 D CA 0.855 54.922 54.000 0.113 0.000 0.839 1364 D CB -0.315 40.556 40.800 0.119 0.000 0.948 1364 D HN 0.237 nan 8.370 nan 0.000 0.460 1365 F N 1.031 121.025 119.950 0.073 0.000 2.128 1365 F HA -0.024 4.433 4.527 -0.115 0.000 0.295 1365 F C 2.116 177.917 175.800 0.002 0.000 1.100 1365 F CA 0.873 58.919 58.000 0.076 0.000 1.260 1365 F CB -0.353 38.747 39.000 0.168 0.000 1.009 1365 F HN -0.128 nan 8.300 nan 0.000 0.476 1366 L N 0.049 121.196 121.223 -0.127 0.000 2.079 1366 L HA -0.261 4.013 4.340 -0.111 0.000 0.210 1366 L C 2.379 179.059 176.870 -0.316 0.000 1.081 1366 L CA 1.488 56.106 54.840 -0.370 0.000 0.752 1366 L CB -0.849 41.068 42.059 -0.237 0.000 0.896 1366 L HN 0.236 nan 8.230 nan 0.000 0.433 1367 Q N -0.152 119.547 119.800 -0.167 0.000 2.291 1367 Q HA -0.193 4.080 4.340 -0.111 0.000 0.206 1367 Q C 1.855 177.769 176.000 -0.142 0.000 0.976 1367 Q CA 1.094 56.827 55.803 -0.117 0.000 0.875 1367 Q CB -0.008 28.700 28.738 -0.051 0.000 0.927 1367 Q HN 0.445 nan 8.270 nan 0.000 0.450 1368 K N -0.020 120.250 120.400 -0.217 0.000 2.418 1368 K HA 0.047 4.301 4.320 -0.111 0.000 0.195 1368 K C 0.105 176.579 176.600 -0.210 0.000 1.035 1368 K CA 0.042 56.214 56.287 -0.192 0.000 1.003 1368 K CB 0.456 32.845 32.500 -0.185 0.000 0.793 1368 K HN 0.125 nan 8.250 nan 0.000 0.494 1369 I N 1.802 122.206 120.570 -0.277 0.000 2.471 1369 I HA -0.023 4.081 4.170 -0.111 0.000 0.286 1369 I C 0.886 176.951 176.117 -0.086 0.000 1.079 1369 I CA 0.047 61.232 61.300 -0.192 0.000 1.398 1369 I CB 0.750 38.608 38.000 -0.237 0.000 1.403 1369 I HN -0.049 nan 8.210 nan 0.000 0.530 1370 S N 5.450 121.120 115.700 -0.051 0.000 2.560 1370 S HA 0.129 4.533 4.470 -0.111 0.000 0.284 1370 S C 1.406 175.962 174.600 -0.074 0.000 1.327 1370 S CA -0.493 57.675 58.200 -0.052 0.000 1.055 1370 S CB 0.479 63.655 63.200 -0.040 0.000 0.868 1370 S HN 0.522 nan 8.310 nan 0.000 0.506 1371 L N 2.837 123.951 121.223 -0.181 0.000 2.265 1371 L HA -0.076 4.198 4.340 -0.111 0.000 0.215 1371 L C 1.247 177.816 176.870 -0.503 0.000 1.117 1371 L CA 0.998 55.533 54.840 -0.508 0.000 0.782 1371 L CB -0.355 41.489 42.059 -0.357 0.000 0.914 1371 L HN 0.627 nan 8.230 nan 0.000 0.441 1372 D N -0.962 119.316 120.400 -0.203 0.000 2.340 1372 D HA 0.014 4.587 4.640 -0.111 0.000 0.220 1372 D C 0.880 177.167 176.300 -0.021 0.000 1.039 1372 D CA 0.296 54.231 54.000 -0.107 0.000 0.866 1372 D CB 0.395 41.156 40.800 -0.065 0.000 0.913 1372 D HN 0.021 nan 8.370 nan 0.000 0.523 1373 S N 1.357 117.072 115.700 0.026 0.000 2.541 1373 S HA 0.390 4.794 4.470 -0.111 0.000 0.283 1373 S C -2.491 172.220 174.600 0.186 0.000 1.196 1373 S CA -1.538 56.718 58.200 0.092 0.000 1.062 1373 S CB 1.465 64.718 63.200 0.088 0.000 1.009 1373 S HN -0.144 nan 8.310 nan 0.000 0.502 1374 P HA 0.288 nan 4.420 nan 0.000 0.274 1374 P C -1.166 176.227 177.300 0.156 0.000 1.256 1374 P CA -0.320 62.863 63.100 0.138 0.000 0.795 1374 P CB 0.341 32.086 31.700 0.075 0.000 1.038 1375 F N 0.321 120.230 119.950 -0.068 0.000 2.588 1375 F HA 0.457 4.912 4.527 -0.120 0.000 0.314 1375 F C -0.996 174.714 175.800 -0.149 0.000 1.134 1375 F CA -0.300 57.603 58.000 -0.161 0.000 0.961 1375 F CB 2.111 40.936 39.000 -0.292 0.000 1.239 1375 F HN 0.358 nan 8.300 nan 0.000 0.448 1376 Q N 4.732 124.045 119.800 -0.812 0.000 2.403 1376 Q HA 0.754 5.028 4.340 -0.111 0.000 0.267 1376 Q C -2.185 173.507 176.000 -0.514 0.000 0.991 1376 Q CA -0.710 54.830 55.803 -0.438 0.000 0.906 1376 Q CB 2.239 30.930 28.738 -0.078 0.000 1.422 1376 Q HN 0.985 nan 8.270 nan 0.000 0.400 1377 A N 2.564 125.324 122.820 -0.100 0.000 2.527 1377 A HA 0.869 5.123 4.320 -0.111 0.000 0.293 1377 A C -1.662 176.258 177.584 0.561 0.000 1.117 1377 A CA -0.567 51.616 52.037 0.244 0.000 0.723 1377 A CB 1.859 21.176 19.000 0.528 0.000 1.313 1377 A HN 0.756 nan 8.150 nan 0.000 0.411 1378 E N -0.042 120.418 120.200 0.433 0.000 2.356 1378 E HA 0.686 4.970 4.350 -0.111 0.000 0.275 1378 E C -1.496 175.112 176.600 0.013 0.000 0.904 1378 E CA -0.744 55.811 56.400 0.258 0.000 0.757 1378 E CB 2.079 31.893 29.700 0.190 0.000 1.232 1378 E HN 0.297 nan 8.360 nan 0.000 0.442 1379 T N 1.960 116.281 114.554 -0.388 0.000 2.848 1379 T HA 0.344 4.627 4.350 -0.111 0.000 0.285 1379 T C -1.411 173.145 174.700 -0.240 0.000 0.995 1379 T CA -0.465 61.384 62.100 -0.418 0.000 0.970 1379 T CB 0.476 68.709 68.868 -1.059 0.000 0.976 1379 T HN 0.336 nan 8.240 nan 0.000 0.441 1380 Y N 2.540 122.834 120.300 -0.011 0.000 2.335 1380 Y HA 0.502 4.990 4.550 -0.103 0.000 0.339 1380 Y C 0.153 176.082 175.900 0.050 0.000 0.987 1380 Y CA -0.967 57.162 58.100 0.049 0.000 1.140 1380 Y CB 0.915 39.455 38.460 0.133 0.000 1.173 1380 Y HN 0.338 nan 8.280 nan 0.000 0.486 1381 L N 4.381 125.685 121.223 0.135 0.000 2.262 1381 L HA 0.312 4.586 4.340 -0.111 0.000 0.288 1381 L C -0.023 176.893 176.870 0.077 0.000 1.035 1381 L CA -0.575 54.336 54.840 0.119 0.000 0.820 1381 L CB 1.270 43.308 42.059 -0.035 0.000 1.204 1381 L HN 0.577 nan 8.230 nan 0.000 0.424 1382 Q N 3.977 123.847 119.800 0.117 0.000 2.262 1382 Q HA 0.199 4.472 4.340 -0.111 0.000 0.272 1382 Q C -0.764 175.107 176.000 -0.215 0.000 1.076 1382 Q CA 0.049 55.806 55.803 -0.078 0.000 0.905 1382 Q CB 0.664 29.355 28.738 -0.078 0.000 1.182 1382 Q HN 0.459 nan 8.270 nan 0.000 0.390 1383 M N 2.911 122.171 119.600 -0.568 0.000 2.724 1383 M HA 0.524 4.938 4.480 -0.111 0.000 0.310 1383 M C -0.583 175.299 176.300 -0.695 0.000 1.217 1383 M CA -0.598 54.228 55.300 -0.791 0.000 0.894 1383 M CB 1.736 33.469 32.600 -1.444 0.000 1.719 1383 M HN 0.520 nan 8.290 nan 0.000 0.479 1384 R N 0.352 120.608 120.500 -0.406 0.000 2.599 1384 R HA 0.541 4.815 4.340 -0.111 0.000 0.295 1384 R C -0.855 175.488 176.300 0.071 0.000 0.963 1384 R CA -0.790 55.245 56.100 -0.108 0.000 0.883 1384 R CB 2.013 32.289 30.300 -0.041 0.000 1.171 1384 R HN 0.536 nan 8.270 nan 0.000 0.450 1385 R N 4.167 124.821 120.500 0.257 0.000 2.265 1385 R HA 0.184 4.458 4.340 -0.111 0.000 0.314 1385 R C 0.268 176.590 176.300 0.037 0.000 1.053 1385 R CA 0.070 56.269 56.100 0.165 0.000 0.931 1385 R CB 0.238 30.622 30.300 0.140 0.000 1.024 1385 R HN 0.770 nan 8.270 nan 0.000 0.457 1386 I N 0.659 121.209 120.570 -0.033 0.000 4.050 1386 I HA 0.614 4.717 4.170 -0.111 0.000 0.327 1386 I C -0.214 175.872 176.117 -0.051 0.000 1.473 1386 I CA -0.424 60.874 61.300 -0.002 0.000 1.124 1386 I CB 0.801 38.838 38.000 0.061 0.000 1.129 1386 I HN 0.478 nan 8.210 nan 0.000 0.428 1387 A N 0.879 123.654 122.820 -0.074 0.000 2.612 1387 A HA 0.753 5.006 4.320 -0.111 0.000 0.293 1387 A C -1.134 176.549 177.584 0.165 0.000 1.075 1387 A CA -0.550 51.509 52.037 0.036 0.000 0.680 1387 A CB 1.168 20.228 19.000 0.101 0.000 1.279 1387 A HN 0.199 nan 8.150 nan 0.000 0.411 1388 I N 0.934 121.595 120.570 0.152 0.000 2.581 1388 I HA 0.580 4.684 4.170 -0.111 0.000 0.288 1388 I C 1.013 177.244 176.117 0.191 0.000 1.047 1388 I CA 1.396 62.780 61.300 0.140 0.000 1.374 1388 I CB 1.538 39.563 38.000 0.042 0.000 1.423 1388 I HN 1.260 nan 8.210 nan 0.000 0.549 1389 G N 3.346 112.168 108.800 0.037 0.000 2.325 1389 G HA2 0.025 3.919 3.960 -0.111 0.000 0.285 1389 G HA3 0.025 3.919 3.960 -0.111 0.000 0.285 1389 G C -1.118 173.470 174.900 -0.520 0.000 1.303 1389 G CA -0.880 44.041 45.100 -0.299 0.000 0.970 1389 G HN 0.474 nan 8.290 nan 0.000 0.490 1390 T N 0.839 114.932 114.554 -0.769 0.000 2.792 1390 T HA 0.691 4.974 4.350 -0.111 0.000 0.280 1390 T C -1.196 173.056 174.700 -0.747 0.000 0.990 1390 T CA -0.007 61.779 62.100 -0.523 0.000 0.960 1390 T CB 0.736 69.449 68.868 -0.259 0.000 0.939 1390 T HN 0.461 nan 8.240 nan 0.000 0.439 1391 F N 1.343 121.323 119.950 0.050 0.000 2.540 1391 F HA 0.489 4.948 4.527 -0.114 0.000 0.317 1391 F C 0.679 176.536 175.800 0.096 0.000 1.104 1391 F CA -1.111 56.941 58.000 0.086 0.000 0.913 1391 F CB 1.711 40.789 39.000 0.130 0.000 1.170 1391 F HN 0.423 nan 8.300 nan 0.000 0.450 1392 E N 1.035 121.392 120.200 0.261 0.000 2.227 1392 E HA 0.435 4.718 4.350 -0.111 0.000 0.268 1392 E C -1.118 175.576 176.600 0.157 0.000 0.990 1392 E CA -0.990 55.506 56.400 0.160 0.000 0.856 1392 E CB 1.827 31.583 29.700 0.094 0.000 1.159 1392 E HN 0.481 nan 8.360 nan 0.000 0.401 1393 N N 0.119 118.848 118.700 0.049 0.000 2.324 1393 N HA 0.376 5.050 4.740 -0.111 0.000 0.285 1393 N C -1.955 173.511 175.510 -0.073 0.000 1.076 1393 N CA -0.281 52.729 53.050 -0.067 0.000 0.864 1393 N CB 2.105 40.322 38.487 -0.450 0.000 1.632 1393 N HN 0.304 nan 8.380 nan 0.000 0.478 1394 T N 1.506 116.044 114.554 -0.027 0.000 2.900 1394 T HA 0.467 4.750 4.350 -0.111 0.000 0.303 1394 T C -1.547 173.204 174.700 0.084 0.000 1.142 1394 T CA -0.504 61.604 62.100 0.014 0.000 1.007 1394 T CB 0.941 69.808 68.868 -0.001 0.000 1.156 1394 T HN 0.456 nan 8.240 nan 0.000 0.490 1395 Y N -0.290 119.992 120.300 -0.030 0.000 2.576 1395 Y HA 0.849 5.372 4.550 -0.046 0.000 0.346 1395 Y C -1.750 174.157 175.900 0.010 0.000 1.018 1395 Y CA -1.275 56.825 58.100 0.001 0.000 1.050 1395 Y CB 1.143 39.619 38.460 0.027 0.000 1.280 1395 Y HN 0.428 nan 8.280 nan 0.000 0.474 1396 V N 3.808 123.627 119.914 -0.158 0.000 2.417 1396 V HA 0.283 4.336 4.120 -0.111 0.000 0.291 1396 V C -0.672 175.277 176.094 -0.242 0.000 1.024 1396 V CA -0.885 61.237 62.300 -0.297 0.000 0.861 1396 V CB 1.343 33.099 31.823 -0.112 0.000 0.985 1396 V HN 0.898 nan 8.190 nan 0.000 0.436 1397 N N 2.991 121.458 118.700 -0.388 0.000 2.426 1397 N HA 0.301 4.974 4.740 -0.111 0.000 0.257 1397 N C -0.154 175.272 175.510 -0.139 0.000 1.002 1397 N CA -0.426 52.489 53.050 -0.226 0.000 0.942 1397 N CB 1.109 39.425 38.487 -0.284 0.000 1.112 1397 N HN 0.785 nan 8.380 nan 0.000 0.499 1398 T N 0.311 114.773 114.554 -0.154 0.000 2.767 1398 T HA 0.376 4.660 4.350 -0.111 0.000 0.288 1398 T C -0.110 174.526 174.700 -0.107 0.000 0.963 1398 T CA -0.647 61.407 62.100 -0.076 0.000 1.019 1398 T CB 1.245 70.083 68.868 -0.050 0.000 0.923 1398 T HN 0.074 nan 8.240 nan 0.000 0.468 1399 V N 4.125 124.056 119.914 0.029 0.000 2.376 1399 V HA 0.351 4.404 4.120 -0.111 0.000 0.287 1399 V C -0.167 175.979 176.094 0.087 0.000 1.015 1399 V CA -1.122 61.204 62.300 0.044 0.000 0.834 1399 V CB 0.678 32.540 31.823 0.065 0.000 1.001 1399 V HN 1.032 nan 8.190 nan 0.000 0.428 1400 N N 5.026 123.760 118.700 0.056 0.000 2.699 1400 N HA -0.196 4.478 4.740 -0.111 0.000 0.256 1400 N C 0.665 176.193 175.510 0.031 0.000 0.993 1400 N CA 0.896 53.971 53.050 0.042 0.000 0.759 1400 N CB -0.583 37.930 38.487 0.042 0.000 0.906 1400 N HN 0.794 nan 8.380 nan 0.000 0.541 1401 K N -4.473 115.937 120.400 0.016 0.000 3.407 1401 K HA -0.195 4.059 4.320 -0.111 0.000 0.312 1401 K C -0.396 176.179 176.600 -0.041 0.000 1.302 1401 K CA 0.873 57.155 56.287 -0.008 0.000 0.931 1401 K CB -1.949 30.549 32.500 -0.004 0.000 1.257 1401 K HN 0.337 nan 8.250 nan 0.000 0.454 1402 V N 0.952 120.838 119.914 -0.046 0.000 2.427 1402 V HA 0.583 4.636 4.120 -0.111 0.000 0.286 1402 V C 0.628 176.564 176.094 -0.264 0.000 1.034 1402 V CA -0.497 61.701 62.300 -0.170 0.000 0.893 1402 V CB 1.694 33.409 31.823 -0.180 0.000 0.982 1402 V HN 0.303 nan 8.190 nan 0.000 0.452 1403 A N 5.211 127.825 122.820 -0.344 0.000 2.289 1403 A HA 0.749 5.003 4.320 -0.111 0.000 0.298 1403 A C -1.137 176.174 177.584 -0.455 0.000 1.208 1403 A CA -0.216 51.652 52.037 -0.282 0.000 0.845 1403 A CB 0.113 19.005 19.000 -0.180 0.000 1.125 1403 A HN 0.753 nan 8.150 nan 0.000 0.517 1404 Y N 1.262 121.467 120.300 -0.157 0.000 2.331 1404 Y HA 0.537 5.009 4.550 -0.130 0.000 0.334 1404 Y C 0.576 176.327 175.900 -0.248 0.000 0.960 1404 Y CA -0.444 57.556 58.100 -0.166 0.000 1.130 1404 Y CB 1.934 40.302 38.460 -0.154 0.000 1.164 1404 Y HN 0.827 nan 8.280 nan 0.000 0.458 1405 A N 2.341 125.112 122.820 -0.082 0.000 2.331 1405 A HA 0.556 4.810 4.320 -0.111 0.000 0.283 1405 A C 0.392 177.871 177.584 -0.175 0.000 1.142 1405 A CA -0.468 51.469 52.037 -0.166 0.000 0.812 1405 A CB 0.134 19.072 19.000 -0.104 0.000 1.074 1405 A HN 0.797 nan 8.150 nan 0.000 0.497 1406 S N 3.044 118.574 115.700 -0.284 0.000 2.617 1406 S HA 0.171 4.574 4.470 -0.111 0.000 0.259 1406 S C 0.491 175.063 174.600 -0.047 0.000 1.301 1406 S CA -0.398 57.715 58.200 -0.145 0.000 0.984 1406 S CB 0.124 63.279 63.200 -0.074 0.000 0.954 1406 S HN 0.925 nan 8.310 nan 0.000 0.572 1407 N N 0.178 118.879 118.700 0.001 0.000 2.307 1407 N HA 0.014 4.688 4.740 -0.111 0.000 0.230 1407 N C -0.758 174.761 175.510 0.015 0.000 1.297 1407 N CA -0.012 53.044 53.050 0.011 0.000 0.884 1407 N CB -0.358 38.144 38.487 0.026 0.000 1.115 1407 N HN 0.609 nan 8.380 nan 0.000 0.436 1408 T N 0.403 114.964 114.554 0.011 0.000 2.749 1408 T HA 0.352 4.636 4.350 -0.111 0.000 0.287 1408 T C 0.414 175.126 174.700 0.020 0.000 0.970 1408 T CA -0.809 61.298 62.100 0.011 0.000 0.980 1408 T CB 0.651 69.525 68.868 0.009 0.000 0.924 1408 T HN 0.502 nan 8.240 nan 0.000 0.456 1409 V N 2.418 122.343 119.914 0.018 0.000 2.997 1409 V HA 0.787 4.841 4.120 -0.111 0.000 0.311 1409 V C -0.096 176.034 176.094 0.059 0.000 1.066 1409 V CA -1.073 61.251 62.300 0.041 0.000 1.039 1409 V CB 1.427 33.286 31.823 0.060 0.000 1.081 1409 V HN 0.866 nan 8.190 nan 0.000 0.467 1410 R N 0.949 121.491 120.500 0.069 0.000 2.548 1410 R HA 0.685 4.959 4.340 -0.111 0.000 0.280 1410 R C -0.993 175.345 176.300 0.063 0.000 1.061 1410 R CA 0.233 56.375 56.100 0.069 0.000 0.915 1410 R CB 2.210 32.529 30.300 0.032 0.000 1.210 1410 R HN 1.213 nan 8.270 nan 0.000 0.442 1411 T N -0.698 113.901 114.554 0.075 0.000 2.883 1411 T HA 0.551 4.835 4.350 -0.111 0.000 0.296 1411 T C -0.746 173.969 174.700 0.025 0.000 1.117 1411 T CA -0.713 61.403 62.100 0.026 0.000 1.006 1411 T CB 2.069 70.918 68.868 -0.031 0.000 1.191 1411 T HN 0.332 nan 8.240 nan 0.000 0.508 1412 T N 1.817 116.366 114.554 -0.008 0.000 2.841 1412 T HA 0.709 4.992 4.350 -0.111 0.000 0.283 1412 T C -0.413 174.285 174.700 -0.004 0.000 1.000 1412 T CA -0.423 61.664 62.100 -0.021 0.000 0.977 1412 T CB 1.822 70.665 68.868 -0.041 0.000 0.979 1412 T HN 0.835 nan 8.240 nan 0.000 0.446 1413 T N 0.000 114.568 114.554 0.024 0.000 3.816 1413 T HA 0.000 4.284 4.350 -0.111 0.000 0.228 1413 T CA 0.000 62.117 62.100 0.029 0.000 1.349 1413 T CB 0.000 68.923 68.868 0.092 0.000 0.612 1413 T HN 0.000 nan 8.240 nan 0.000 0.658