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 1do8_1_B DATA FIRST_RESID 1021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 1021 I HA 0.000 nan 4.170 nan 0.000 0.288 1021 I C 0.000 176.140 176.117 0.038 0.000 1.063 1021 I CA 0.000 61.330 61.300 0.050 0.000 1.566 1021 I CB 0.000 38.038 38.000 0.063 0.000 1.214 1022 K N 3.821 124.239 120.400 0.030 0.000 2.358 1022 K HA 0.345 4.664 4.320 -0.001 0.000 0.200 1022 K C 0.108 176.715 176.600 0.011 0.000 1.030 1022 K CA 0.177 56.476 56.287 0.020 0.000 1.097 1022 K CB 0.464 32.975 32.500 0.018 0.000 0.862 1022 K HN 0.547 nan 8.250 nan 0.000 0.534 1023 E N 1.491 121.698 120.200 0.013 0.000 2.280 1023 E HA 0.183 4.532 4.350 -0.001 0.000 0.264 1023 E C -0.255 176.342 176.600 -0.005 0.000 1.064 1023 E CA -0.143 56.258 56.400 0.002 0.000 0.900 1023 E CB 1.688 31.390 29.700 0.003 0.000 1.123 1023 E HN 0.093 nan 8.360 nan 0.000 0.418 1024 K N -0.982 119.406 120.400 -0.021 0.000 2.533 1024 K HA 0.642 4.961 4.320 -0.001 0.000 0.272 1024 K C -0.070 176.497 176.600 -0.056 0.000 0.985 1024 K CA -0.287 55.975 56.287 -0.042 0.000 0.876 1024 K CB 1.647 34.122 32.500 -0.041 0.000 1.452 1024 K HN 0.622 nan 8.250 nan 0.000 0.439 1025 G N 1.746 110.493 108.800 -0.087 0.000 2.698 1025 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.225 1025 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.225 1025 G C 0.300 175.147 174.900 -0.089 0.000 1.345 1025 G CA 0.328 45.375 45.100 -0.089 0.000 0.871 1025 G HN 0.905 nan 8.290 nan 0.000 0.540 1026 K N 0.703 121.059 120.400 -0.074 0.000 2.163 1026 K HA -0.137 4.182 4.320 -0.001 0.000 0.210 1026 K C 0.172 176.751 176.600 -0.036 0.000 1.048 1026 K CA 2.979 59.231 56.287 -0.057 0.000 0.928 1026 K CB -1.093 31.382 32.500 -0.041 0.000 0.716 1026 K HN 0.352 nan 8.250 nan 0.000 0.459 1027 P HA -0.164 nan 4.420 nan 0.000 0.217 1027 P C 0.235 177.537 177.300 0.003 0.000 1.148 1027 P CA 1.012 64.103 63.100 -0.015 0.000 0.828 1027 P CB -0.004 31.686 31.700 -0.017 0.000 0.783 1031 N N 3.230 121.940 118.700 0.018 0.000 2.406 1031 N HA 0.207 4.946 4.740 -0.001 0.000 0.251 1031 N C -1.655 173.872 175.510 0.028 0.000 1.069 1031 N CA -1.965 51.089 53.050 0.008 0.000 0.947 1031 N CB 1.431 39.924 38.487 0.011 0.000 1.111 1031 N HN -0.038 nan 8.380 nan 0.000 0.497 1032 P HA -0.180 nan 4.420 nan 0.000 0.218 1032 P C 1.121 178.449 177.300 0.046 0.000 1.146 1032 P CA 0.939 64.045 63.100 0.010 0.000 0.813 1032 P CB 0.472 32.145 31.700 -0.043 0.000 0.778 1033 R N 0.497 121.021 120.500 0.039 0.000 2.120 1033 R HA -0.091 4.248 4.340 -0.001 0.000 0.234 1033 R C 2.003 178.370 176.300 0.112 0.000 1.123 1033 R CA 2.366 58.509 56.100 0.072 0.000 0.975 1033 R CB -0.910 29.411 30.300 0.036 0.000 0.866 1033 R HN 0.297 nan 8.270 nan 0.000 0.446 1034 T N -3.288 111.328 114.554 0.104 0.000 3.018 1034 T HA 0.123 4.472 4.350 -0.001 0.000 0.246 1034 T C 0.624 175.396 174.700 0.120 0.000 1.026 1034 T CA -0.221 61.957 62.100 0.130 0.000 1.081 1034 T CB -0.439 68.518 68.868 0.149 0.000 0.970 1034 T HN 0.093 nan 8.240 nan 0.000 0.475 1035 N N 2.152 120.936 118.700 0.140 0.000 2.217 1035 N HA -0.006 4.733 4.740 -0.001 0.000 0.268 1035 N C 0.415 175.869 175.510 -0.092 0.000 1.290 1035 N CA 0.536 53.671 53.050 0.142 0.000 0.831 1035 N CB 0.474 39.039 38.487 0.131 0.000 1.057 1035 N HN 0.401 nan 8.380 nan 0.000 0.481 1036 K N 1.921 122.001 120.400 -0.534 0.000 2.402 1036 K HA 0.245 4.564 4.320 -0.001 0.000 0.203 1036 K C 0.690 177.042 176.600 -0.413 0.000 1.077 1036 K CA 0.194 55.990 56.287 -0.818 0.000 1.051 1036 K CB 0.331 31.772 32.500 -1.764 0.000 0.907 1036 K HN 0.812 nan 8.250 nan 0.000 0.554 1040 F N 3.375 123.203 119.950 -0.203 0.000 2.533 1040 F HA 0.317 4.843 4.527 -0.001 0.000 0.378 1040 F C 1.747 177.487 175.800 -0.100 0.000 1.070 1040 F CA 1.217 59.126 58.000 -0.152 0.000 1.172 1040 F CB 0.859 39.796 39.000 -0.106 0.000 1.085 1040 F HN 0.304 nan 8.300 nan 0.000 0.552 1041 T N 1.738 116.353 114.554 0.101 0.000 2.795 1041 T HA -0.024 4.325 4.350 -0.001 0.000 0.314 1041 T C 1.131 175.865 174.700 0.056 0.000 1.069 1041 T CA -0.791 61.341 62.100 0.053 0.000 1.071 1041 T CB 0.819 69.707 68.868 0.033 0.000 0.988 1041 T HN 0.589 nan 8.240 nan 0.000 0.543 1042 L N 0.848 122.088 121.223 0.029 0.000 2.017 1042 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 1042 L C 3.002 179.876 176.870 0.006 0.000 1.073 1042 L CA 1.885 56.733 54.840 0.013 0.000 0.745 1042 L CB -0.976 41.087 42.059 0.007 0.000 0.894 1042 L HN 0.915 nan 8.230 nan 0.000 0.432 1043 Q N -0.904 118.902 119.800 0.011 0.000 2.170 1043 Q HA -0.241 4.099 4.340 -0.001 0.000 0.203 1043 Q C 2.099 178.103 176.000 0.006 0.000 0.976 1043 Q CA 1.747 57.554 55.803 0.006 0.000 0.858 1043 Q CB 0.042 28.787 28.738 0.010 0.000 0.907 1043 Q HN 0.633 nan 8.270 nan 0.000 0.433 1044 E N -0.315 119.902 120.200 0.027 0.000 2.072 1044 E HA -0.144 4.205 4.350 -0.001 0.000 0.190 1044 E C 2.020 178.601 176.600 -0.031 0.000 0.982 1044 E CA 0.653 57.078 56.400 0.041 0.000 0.803 1044 E CB 0.174 29.962 29.700 0.147 0.000 0.755 1044 E HN 0.232 nan 8.360 nan 0.000 0.453 1045 R N 0.628 121.099 120.500 -0.048 0.000 2.081 1045 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 1045 R C 1.176 177.418 176.300 -0.096 0.000 1.131 1045 R CA 0.894 56.921 56.100 -0.121 0.000 0.960 1045 R CB -0.125 30.126 30.300 -0.082 0.000 0.856 1045 R HN 0.229 nan 8.270 nan 0.000 0.436 1049 G N 1.379 110.117 108.800 -0.103 0.000 2.160 1049 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 1049 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 1049 G C 0.366 175.188 174.900 -0.130 0.000 1.022 1049 G CA 0.550 45.590 45.100 -0.100 0.000 0.741 1049 G HN 0.315 nan 8.290 nan 0.000 0.508 1050 L N -0.949 120.171 121.223 -0.172 0.000 2.693 1050 L HA 0.315 4.654 4.340 -0.001 0.000 0.235 1050 L C 1.142 177.929 176.870 -0.138 0.000 1.127 1050 L CA -0.494 54.224 54.840 -0.202 0.000 0.914 1050 L CB 0.051 41.885 42.059 -0.376 0.000 1.193 1050 L HN 0.094 nan 8.230 nan 0.000 0.502 1051 Q N 1.790 121.528 119.800 -0.102 0.000 2.247 1051 Q HA 0.124 4.464 4.340 -0.001 0.000 0.288 1051 Q C 1.241 177.207 176.000 -0.057 0.000 1.079 1051 Q CA 1.384 57.146 55.803 -0.068 0.000 0.932 1051 Q CB 0.789 29.495 28.738 -0.053 0.000 1.133 1051 Q HN 0.500 nan 8.270 nan 0.000 0.377 1052 G N 2.667 111.440 108.800 -0.045 0.000 2.258 1052 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.233 1052 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.233 1052 G C 0.647 175.525 174.900 -0.036 0.000 1.006 1052 G CA 0.252 45.330 45.100 -0.035 0.000 0.620 1052 G HN 0.548 nan 8.290 nan 0.000 0.511 1053 L N 0.282 121.474 121.223 -0.051 0.000 2.558 1053 L HA 0.485 4.824 4.340 -0.001 0.000 0.225 1053 L C 0.950 177.801 176.870 -0.033 0.000 1.128 1053 L CA 0.353 55.164 54.840 -0.047 0.000 0.868 1053 L CB 0.031 42.048 42.059 -0.071 0.000 1.006 1053 L HN 0.185 nan 8.230 nan 0.000 0.454 1054 L N -0.980 120.227 121.223 -0.028 0.000 2.354 1054 L HA 0.508 4.847 4.340 -0.001 0.000 0.264 1054 L C -2.235 174.638 176.870 0.004 0.000 1.008 1054 L CA -1.999 52.841 54.840 0.000 0.000 0.819 1054 L CB 1.548 43.616 42.059 0.015 0.000 1.339 1054 L HN -0.239 nan 8.230 nan 0.000 0.420 1055 P HA 0.128 nan 4.420 nan 0.000 0.270 1055 P C -2.170 175.137 177.300 0.011 0.000 1.223 1055 P CA -0.910 62.197 63.100 0.012 0.000 0.785 1055 P CB -0.057 31.654 31.700 0.017 0.000 0.923 1056 P HA -0.079 nan 4.420 nan 0.000 0.231 1056 P C 0.044 177.351 177.300 0.011 0.000 1.158 1056 P CA 1.082 64.186 63.100 0.006 0.000 0.763 1056 P CB 0.091 31.793 31.700 0.003 0.000 0.805 1057 K N 1.124 121.533 120.400 0.015 0.000 2.234 1057 K HA 0.227 4.547 4.320 -0.001 0.000 0.282 1057 K C -0.331 176.282 176.600 0.022 0.000 1.039 1057 K CA -0.224 56.073 56.287 0.018 0.000 0.928 1057 K CB 0.161 32.673 32.500 0.019 0.000 1.039 1057 K HN -0.163 nan 8.250 nan 0.000 0.470 1058 I N 4.187 124.769 120.570 0.019 0.000 2.321 1058 I HA 0.261 4.430 4.170 -0.001 0.000 0.291 1058 I C 0.232 176.359 176.117 0.017 0.000 0.998 1058 I CA -0.407 60.904 61.300 0.019 0.000 1.227 1058 I CB 1.218 39.227 38.000 0.015 0.000 1.368 1058 I HN 0.764 nan 8.210 nan 0.000 0.466 1059 E N 3.525 123.733 120.200 0.013 0.000 2.281 1059 E HA 0.533 4.882 4.350 -0.001 0.000 0.257 1059 E C -0.334 176.279 176.600 0.021 0.000 0.971 1059 E CA -0.669 55.743 56.400 0.021 0.000 0.839 1059 E CB 2.242 31.960 29.700 0.031 0.000 1.238 1059 E HN 0.654 nan 8.360 nan 0.000 0.412 1060 T N -2.254 112.326 114.554 0.044 0.000 2.940 1060 T HA 0.145 4.494 4.350 -0.001 0.000 0.288 1060 T C 0.804 175.569 174.700 0.109 0.000 1.033 1060 T CA -0.736 61.404 62.100 0.067 0.000 1.033 1060 T CB 1.762 70.661 68.868 0.053 0.000 1.079 1060 T HN 0.489 nan 8.240 nan 0.000 0.496 1061 Q N -0.020 119.882 119.800 0.170 0.000 2.226 1061 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 1061 Q C 1.033 177.078 176.000 0.075 0.000 0.975 1061 Q CA 1.679 57.581 55.803 0.165 0.000 0.866 1061 Q CB -0.115 28.660 28.738 0.062 0.000 0.915 1061 Q HN 0.714 nan 8.270 nan 0.000 0.440 1062 D N 0.208 120.645 120.400 0.062 0.000 2.117 1062 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 1062 D C 1.742 178.087 176.300 0.074 0.000 0.987 1062 D CA 1.045 55.080 54.000 0.057 0.000 0.829 1062 D CB -0.130 40.696 40.800 0.043 0.000 0.961 1062 D HN 0.347 nan 8.370 nan 0.000 0.460 1063 I N 0.752 121.365 120.570 0.070 0.000 2.252 1063 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 1063 I C 2.405 178.573 176.117 0.086 0.000 1.102 1063 I CA 1.015 62.358 61.300 0.071 0.000 1.385 1063 I CB -0.231 37.804 38.000 0.059 0.000 1.064 1063 I HN -0.028 nan 8.210 nan 0.000 0.414 1064 Q N 0.710 120.564 119.800 0.089 0.000 2.084 1064 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 1064 Q C 2.528 178.588 176.000 0.101 0.000 0.978 1064 Q CA 1.699 57.559 55.803 0.094 0.000 0.844 1064 Q CB -0.348 28.450 28.738 0.099 0.000 0.898 1064 Q HN 0.592 nan 8.270 nan 0.000 0.426 1065 A N 1.099 123.973 122.820 0.090 0.000 1.908 1065 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 1065 A C 2.073 179.786 177.584 0.215 0.000 1.181 1065 A CA 1.070 53.173 52.037 0.109 0.000 0.627 1065 A CB -0.757 18.319 19.000 0.126 0.000 0.818 1065 A HN 0.333 nan 8.150 nan 0.000 0.445 1066 L N -0.927 120.415 121.223 0.199 0.000 2.046 1066 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 1066 L C 2.861 179.827 176.870 0.160 0.000 1.077 1066 L CA 1.886 56.847 54.840 0.201 0.000 0.747 1066 L CB -0.365 41.768 42.059 0.124 0.000 0.896 1066 L HN 0.552 nan 8.230 nan 0.000 0.432 1067 R N -0.460 120.119 120.500 0.132 0.000 2.091 1067 R HA -0.271 4.068 4.340 -0.001 0.000 0.238 1067 R C 2.373 178.753 176.300 0.133 0.000 1.136 1067 R CA 2.109 58.279 56.100 0.116 0.000 0.959 1067 R CB -0.534 29.836 30.300 0.116 0.000 0.856 1067 R HN 0.284 nan 8.270 nan 0.000 0.437 1068 F N 1.062 121.020 119.950 0.013 0.000 2.051 1068 F HA -0.206 4.321 4.527 -0.001 0.000 0.296 1068 F C 1.884 177.681 175.800 -0.006 0.000 1.122 1068 F CA 2.275 60.264 58.000 -0.019 0.000 1.201 1068 F CB -0.690 38.161 39.000 -0.248 0.000 0.978 1068 F HN 0.145 nan 8.300 nan 0.000 0.472 1069 H N -0.828 118.157 119.070 -0.143 0.000 2.422 1069 H HA -0.131 4.424 4.556 -0.001 0.000 0.298 1069 H C 2.277 177.489 175.328 -0.194 0.000 1.098 1069 H CA 1.593 57.496 56.048 -0.240 0.000 1.315 1069 H CB -0.192 29.580 29.762 0.015 0.000 1.382 1069 H HN 0.125 nan 8.280 nan 0.000 0.523 1070 R N 0.609 121.112 120.500 0.004 0.000 2.070 1070 R HA -0.088 4.251 4.340 -0.001 0.000 0.233 1070 R C 1.893 178.151 176.300 -0.070 0.000 1.137 1070 R CA 1.546 57.640 56.100 -0.010 0.000 0.945 1070 R CB -0.057 30.253 30.300 0.017 0.000 0.845 1070 R HN 0.364 nan 8.270 nan 0.000 0.430 1071 N N 0.027 118.665 118.700 -0.105 0.000 2.216 1071 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 1071 N C 1.603 176.999 175.510 -0.191 0.000 1.017 1071 N CA 0.805 53.767 53.050 -0.147 0.000 0.861 1071 N CB -0.226 38.163 38.487 -0.164 0.000 0.986 1071 N HN 0.133 nan 8.380 nan 0.000 0.428 1072 L N 1.982 123.049 121.223 -0.260 0.000 2.093 1072 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 1072 L C 1.984 178.786 176.870 -0.113 0.000 1.085 1072 L CA 1.562 56.274 54.840 -0.213 0.000 0.755 1072 L CB -0.252 41.518 42.059 -0.482 0.000 0.904 1072 L HN -0.059 nan 8.230 nan 0.000 0.435 1073 K N 0.176 120.515 120.400 -0.102 0.000 2.152 1073 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 1073 K C 0.701 177.277 176.600 -0.041 0.000 1.048 1073 K CA 1.099 57.359 56.287 -0.046 0.000 0.933 1073 K CB -0.109 32.373 32.500 -0.030 0.000 0.721 1073 K HN 0.479 nan 8.250 nan 0.000 0.447 1077 S N 2.715 118.430 115.700 0.024 0.000 2.617 1077 S HA 0.460 4.929 4.470 -0.001 0.000 0.269 1077 S C -2.213 172.422 174.600 0.058 0.000 1.292 1077 S CA -1.034 57.186 58.200 0.034 0.000 1.010 1077 S CB 1.172 64.387 63.200 0.025 0.000 0.944 1077 S HN 0.121 nan 8.310 nan 0.000 0.536 1078 P HA 0.011 nan 4.420 nan 0.000 0.219 1078 P C 1.472 178.847 177.300 0.126 0.000 1.150 1078 P CA 0.163 63.317 63.100 0.091 0.000 0.814 1078 P CB 0.016 31.755 31.700 0.066 0.000 0.787 1079 L N 0.588 121.862 121.223 0.086 0.000 2.093 1079 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 1079 L C 2.292 179.260 176.870 0.163 0.000 1.085 1079 L CA 1.848 56.749 54.840 0.101 0.000 0.755 1079 L CB -1.283 40.789 42.059 0.023 0.000 0.904 1079 L HN -0.056 nan 8.230 nan 0.000 0.435 1080 E N -0.485 119.782 120.200 0.111 0.000 2.110 1080 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 1080 E C 1.966 178.665 176.600 0.164 0.000 0.988 1080 E CA 1.293 57.756 56.400 0.105 0.000 0.804 1080 E CB 0.004 29.735 29.700 0.052 0.000 0.745 1080 E HN 0.544 nan 8.360 nan 0.000 0.458 1081 K N -0.406 120.105 120.400 0.184 0.000 2.103 1081 K HA -0.157 4.163 4.320 -0.001 0.000 0.204 1081 K C 2.142 178.903 176.600 0.269 0.000 1.052 1081 K CA 1.246 57.678 56.287 0.242 0.000 0.945 1081 K CB -0.362 32.258 32.500 0.198 0.000 0.722 1081 K HN 0.233 nan 8.250 nan 0.000 0.443 1082 Y N 2.185 122.564 120.300 0.132 0.000 2.128 1082 Y HA -0.221 4.328 4.550 -0.001 0.000 0.284 1082 Y C 1.907 177.874 175.900 0.110 0.000 1.154 1082 Y CA 1.451 59.621 58.100 0.116 0.000 1.149 1082 Y CB -0.190 38.325 38.460 0.093 0.000 0.976 1082 Y HN -0.092 nan 8.280 nan 0.000 0.505 1083 I N -0.641 120.084 120.570 0.258 0.000 2.208 1083 I HA -0.344 3.825 4.170 -0.001 0.000 0.245 1083 I C 2.215 178.385 176.117 0.088 0.000 1.097 1083 I CA 1.791 63.169 61.300 0.132 0.000 1.363 1083 I CB -0.742 37.351 38.000 0.155 0.000 1.051 1083 I HN 0.344 nan 8.210 nan 0.000 0.413 1084 Y N 2.357 122.667 120.300 0.017 0.000 2.133 1084 Y HA -0.101 4.448 4.550 -0.001 0.000 0.287 1084 Y C 1.550 177.478 175.900 0.046 0.000 1.134 1084 Y CA 0.379 58.502 58.100 0.038 0.000 1.133 1084 Y CB -0.573 37.935 38.460 0.080 0.000 0.987 1084 Y HN 0.149 nan 8.280 nan 0.000 0.502 1088 I N 1.426 121.867 120.570 -0.215 0.000 2.423 1088 I HA -0.198 3.972 4.170 -0.001 0.000 0.254 1088 I C 2.601 178.539 176.117 -0.299 0.000 1.151 1088 I CA 1.618 62.808 61.300 -0.184 0.000 1.421 1088 I CB -0.123 37.786 38.000 -0.151 0.000 1.079 1088 I HN 0.269 nan 8.210 nan 0.000 0.431 1089 Q N 0.936 120.323 119.800 -0.687 0.000 2.226 1089 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 1089 Q C 1.529 177.248 176.000 -0.468 0.000 0.975 1089 Q CA 1.224 56.409 55.803 -1.030 0.000 0.866 1089 Q CB 0.237 28.034 28.738 -1.568 0.000 0.915 1089 Q HN 0.452 nan 8.270 nan 0.000 0.440 1090 E N -0.592 119.410 120.200 -0.330 0.000 2.474 1090 E HA 0.027 4.376 4.350 -0.001 0.000 0.194 1090 E C 1.255 177.778 176.600 -0.127 0.000 1.041 1090 E CA 0.231 56.509 56.400 -0.202 0.000 0.874 1090 E CB 0.401 29.989 29.700 -0.188 0.000 0.914 1090 E HN 0.363 nan 8.360 nan 0.000 0.498 1091 R N 0.038 120.471 120.500 -0.111 0.000 2.194 1091 R HA 0.160 4.499 4.340 -0.001 0.000 0.194 1091 R C 0.621 176.915 176.300 -0.010 0.000 0.985 1091 R CA 0.148 56.221 56.100 -0.046 0.000 1.104 1091 R CB 0.450 30.734 30.300 -0.027 0.000 1.092 1091 R HN -0.125 nan 8.270 nan 0.000 0.555 1092 N N 1.058 119.750 118.700 -0.012 0.000 2.653 1092 N HA 0.004 4.743 4.740 -0.001 0.000 0.261 1092 N C -0.258 175.293 175.510 0.067 0.000 1.216 1092 N CA 0.028 53.107 53.050 0.048 0.000 0.784 1092 N CB 1.503 40.033 38.487 0.072 0.000 1.327 1092 N HN 0.083 nan 8.380 nan 0.000 0.539 1093 E N 1.856 122.111 120.200 0.092 0.000 2.058 1093 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 1093 E C 0.882 177.685 176.600 0.337 0.000 0.997 1093 E CA 1.397 57.904 56.400 0.179 0.000 0.801 1093 E CB 0.361 30.178 29.700 0.195 0.000 0.746 1093 E HN 0.282 nan 8.360 nan 0.000 0.450 1094 K N 0.421 120.993 120.400 0.286 0.000 2.044 1094 K HA -0.174 4.145 4.320 -0.001 0.000 0.210 1094 K C 2.028 178.627 176.600 -0.003 0.000 1.049 1094 K CA 1.111 57.503 56.287 0.175 0.000 0.927 1094 K CB -0.553 31.908 32.500 -0.064 0.000 0.713 1094 K HN 0.157 nan 8.250 nan 0.000 0.443 1095 L N -0.090 121.114 121.223 -0.030 0.000 2.093 1095 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 1095 L C 1.975 178.767 176.870 -0.130 0.000 1.085 1095 L CA 1.415 56.196 54.840 -0.098 0.000 0.755 1095 L CB -0.631 41.413 42.059 -0.025 0.000 0.904 1095 L HN 0.233 nan 8.230 nan 0.000 0.435 1096 F N -0.378 119.426 119.950 -0.243 0.000 2.095 1096 F HA -0.298 4.228 4.527 -0.001 0.000 0.298 1096 F C 1.950 177.487 175.800 -0.439 0.000 1.104 1096 F CA 1.906 59.655 58.000 -0.418 0.000 1.232 1096 F CB -0.666 38.047 39.000 -0.478 0.000 0.987 1096 F HN 0.163 nan 8.300 nan 0.000 0.475 1097 Y N -0.424 119.753 120.300 -0.206 0.000 2.457 1097 Y HA -0.067 4.482 4.550 -0.001 0.000 0.292 1097 Y C 2.468 178.230 175.900 -0.229 0.000 1.125 1097 Y CA 0.850 58.804 58.100 -0.244 0.000 1.254 1097 Y CB -0.339 38.216 38.460 0.158 0.000 1.012 1097 Y HN 0.029 nan 8.280 nan 0.000 0.555 1098 R N 0.654 121.086 120.500 -0.114 0.000 2.090 1098 R HA -0.110 4.229 4.340 -0.001 0.000 0.228 1098 R C 1.692 177.878 176.300 -0.189 0.000 1.110 1098 R CA 1.466 57.476 56.100 -0.149 0.000 0.973 1098 R CB -0.878 29.311 30.300 -0.185 0.000 0.869 1098 R HN 0.160 nan 8.270 nan 0.000 0.440 1099 I N 0.461 120.826 120.570 -0.342 0.000 2.226 1099 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 1099 I C 1.690 177.602 176.117 -0.342 0.000 1.100 1099 I CA 1.015 62.023 61.300 -0.486 0.000 1.374 1099 I CB -0.690 36.719 38.000 -0.985 0.000 1.057 1099 I HN 0.188 nan 8.210 nan 0.000 0.413 1100 L N -0.255 120.732 121.223 -0.393 0.000 2.027 1100 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 1100 L C 2.496 179.292 176.870 -0.122 0.000 1.074 1100 L CA 1.549 56.226 54.840 -0.271 0.000 0.745 1100 L CB -1.517 40.342 42.059 -0.334 0.000 0.898 1100 L HN 0.370 nan 8.230 nan 0.000 0.433 1101 Q N -0.398 119.341 119.800 -0.101 0.000 2.152 1101 Q HA -0.257 4.083 4.340 -0.001 0.000 0.206 1101 Q C 1.640 177.623 176.000 -0.028 0.000 0.985 1101 Q CA 1.803 57.573 55.803 -0.054 0.000 0.863 1101 Q CB 0.044 28.751 28.738 -0.052 0.000 0.904 1101 Q HN 0.452 nan 8.270 nan 0.000 0.422 1102 D N 0.535 120.935 120.400 -0.001 0.000 2.133 1102 D HA -0.128 4.511 4.640 -0.001 0.000 0.195 1102 D C 0.127 176.450 176.300 0.039 0.000 0.997 1102 D CA 1.395 55.428 54.000 0.056 0.000 0.840 1102 D CB 0.037 40.970 40.800 0.221 0.000 0.947 1102 D HN 0.216 nan 8.370 nan 0.000 0.452 1103 D N -1.440 118.990 120.400 0.049 0.000 2.634 1103 D HA 0.035 4.674 4.640 -0.001 0.000 0.236 1103 D C 0.589 176.901 176.300 0.021 0.000 1.323 1103 D CA -0.344 53.676 54.000 0.033 0.000 0.884 1103 D CB -0.178 40.651 40.800 0.049 0.000 1.496 1103 D HN -0.117 nan 8.370 nan 0.000 0.525 1104 I N 2.079 122.641 120.570 -0.013 0.000 2.208 1104 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 1104 I C 2.001 178.106 176.117 -0.019 0.000 1.097 1104 I CA 1.632 62.911 61.300 -0.036 0.000 1.363 1104 I CB 0.143 38.103 38.000 -0.066 0.000 1.051 1104 I HN 0.481 nan 8.210 nan 0.000 0.413 1105 E N -0.110 120.086 120.200 -0.008 0.000 2.160 1105 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 1105 E C 2.101 178.721 176.600 0.033 0.000 0.991 1105 E CA 1.559 57.964 56.400 0.009 0.000 0.810 1105 E CB -0.118 29.595 29.700 0.021 0.000 0.742 1105 E HN 0.691 nan 8.360 nan 0.000 0.466 1106 S N -0.510 115.216 115.700 0.044 0.000 2.478 1106 S HA 0.089 4.558 4.470 -0.001 0.000 0.222 1106 S C 1.074 175.721 174.600 0.078 0.000 1.008 1106 S CA -0.170 58.068 58.200 0.063 0.000 0.928 1106 S CB -0.027 63.214 63.200 0.069 0.000 0.781 1106 S HN 0.100 nan 8.310 nan 0.000 0.518 1110 I N -0.702 119.959 120.570 0.151 0.000 2.810 1110 I HA 0.039 4.208 4.170 -0.001 0.000 0.262 1110 I C 1.877 178.181 176.117 0.311 0.000 1.131 1110 I CA 0.601 62.020 61.300 0.198 0.000 1.453 1110 I CB 0.052 38.169 38.000 0.194 0.000 1.161 1110 I HN -0.195 nan 8.210 nan 0.000 0.444 1111 V N -0.571 119.509 119.914 0.276 0.000 2.951 1111 V HA -0.057 4.062 4.120 -0.001 0.000 0.255 1111 V C 0.822 177.148 176.094 0.386 0.000 1.088 1111 V CA 1.094 63.587 62.300 0.322 0.000 1.109 1111 V CB -0.043 31.882 31.823 0.171 0.000 0.724 1111 V HN 0.330 nan 8.190 nan 0.000 0.471 1112 Y N -0.306 120.076 120.300 0.136 0.000 3.175 1112 Y HA 0.452 5.001 4.550 -0.001 0.000 0.313 1112 Y C 0.845 176.779 175.900 0.057 0.000 1.525 1112 Y CA -0.791 57.368 58.100 0.098 0.000 0.992 1112 Y CB 0.930 39.432 38.460 0.070 0.000 1.347 1112 Y HN -0.105 nan 8.280 nan 0.000 0.691 1113 T N 3.789 118.162 114.554 -0.303 0.000 2.919 1113 T HA 0.221 4.570 4.350 -0.001 0.000 0.302 1113 T C -1.915 172.733 174.700 -0.087 0.000 1.031 1113 T CA -1.485 60.459 62.100 -0.260 0.000 1.127 1113 T CB 0.747 69.374 68.868 -0.401 0.000 0.952 1113 T HN 0.468 nan 8.240 nan 0.000 0.540 1114 P HA 0.102 nan 4.420 nan 0.000 0.234 1114 P C 1.307 178.558 177.300 -0.080 0.000 1.175 1114 P CA 0.425 63.464 63.100 -0.102 0.000 0.801 1114 P CB 0.024 31.667 31.700 -0.095 0.000 0.891 1115 T N 0.338 114.868 114.554 -0.041 0.000 2.849 1115 T HA -0.116 4.233 4.350 -0.001 0.000 0.270 1115 T C 1.819 176.426 174.700 -0.155 0.000 1.066 1115 T CA 1.067 63.131 62.100 -0.060 0.000 1.130 1115 T CB -1.062 67.816 68.868 0.017 0.000 0.864 1115 T HN -0.066 nan 8.240 nan 0.000 0.481 1116 V N 1.557 121.411 119.914 -0.100 0.000 2.490 1116 V HA -0.042 4.077 4.120 -0.001 0.000 0.250 1116 V C 2.508 178.507 176.094 -0.158 0.000 1.061 1116 V CA 2.157 64.379 62.300 -0.129 0.000 1.064 1116 V CB -1.006 30.825 31.823 0.014 0.000 0.670 1116 V HN 0.570 nan 8.190 nan 0.000 0.461 1117 G N -0.225 108.496 108.800 -0.132 0.000 2.408 1117 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 1117 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 1117 G C 1.491 176.332 174.900 -0.098 0.000 1.150 1117 G CA 1.054 46.090 45.100 -0.107 0.000 0.776 1117 G HN 0.525 nan 8.290 nan 0.000 0.542 1118 L N 1.336 122.489 121.223 -0.117 0.000 2.093 1118 L HA 0.256 4.596 4.340 -0.001 0.000 0.208 1118 L C 2.946 179.734 176.870 -0.137 0.000 1.085 1118 L CA 1.935 56.712 54.840 -0.106 0.000 0.755 1118 L CB -0.756 41.242 42.059 -0.102 0.000 0.904 1118 L HN 0.216 nan 8.230 nan 0.000 0.435 1119 A N -0.828 121.842 122.820 -0.251 0.000 1.851 1119 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 1119 A C 2.418 179.988 177.584 -0.024 0.000 1.195 1119 A CA 1.962 53.823 52.037 -0.294 0.000 0.622 1119 A CB -1.552 16.973 19.000 -0.791 0.000 0.831 1119 A HN 0.613 nan 8.150 nan 0.000 0.444 1120 C N -0.050 119.217 119.300 -0.056 0.000 2.388 1120 C HA -0.159 4.300 4.460 -0.001 0.000 0.277 1120 C C 3.414 178.422 174.990 0.029 0.000 1.210 1120 C CA 1.858 60.833 59.018 -0.071 0.000 1.743 1120 C CB -1.389 26.279 27.740 -0.119 0.000 2.047 1120 C HN 0.813 nan 8.230 nan 0.000 0.458 1121 S N -0.170 115.556 115.700 0.043 0.000 2.465 1121 S HA -0.235 4.235 4.470 -0.001 0.000 0.241 1121 S C 1.511 176.177 174.600 0.110 0.000 1.000 1121 S CA 1.975 60.251 58.200 0.127 0.000 0.964 1121 S CB -0.397 62.839 63.200 0.061 0.000 0.763 1121 S HN 0.727 nan 8.310 nan 0.000 0.512 1122 Q N -1.411 118.387 119.800 -0.003 0.000 2.189 1122 Q HA 0.350 4.689 4.340 -0.001 0.000 0.223 1122 Q C 0.895 176.849 176.000 -0.077 0.000 0.828 1122 Q CA -0.335 55.460 55.803 -0.013 0.000 0.967 1122 Q CB -0.305 28.394 28.738 -0.065 0.000 1.139 1122 Q HN 0.499 nan 8.270 nan 0.000 0.497 1123 Y N -0.185 119.835 120.300 -0.467 0.000 2.133 1123 Y HA -0.280 4.269 4.550 -0.001 0.000 0.279 1123 Y C 1.992 177.652 175.900 -0.400 0.000 1.209 1123 Y CA 2.318 60.146 58.100 -0.453 0.000 1.152 1123 Y CB -0.491 37.686 38.460 -0.472 0.000 0.961 1123 Y HN 0.327 nan 8.280 nan 0.000 0.512 1124 G N -2.826 105.585 108.800 -0.648 0.000 2.484 1124 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 1124 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 1124 G C 1.053 175.836 174.900 -0.195 0.000 1.130 1124 G CA 0.879 45.886 45.100 -0.156 0.000 0.784 1124 G HN 0.511 nan 8.290 nan 0.000 0.543 1125 H N -0.028 118.933 119.070 -0.180 0.000 2.525 1125 H HA 0.168 4.723 4.556 -0.001 0.000 0.275 1125 H C 2.266 177.490 175.328 -0.172 0.000 0.984 1125 H CA 0.927 56.815 56.048 -0.268 0.000 1.264 1125 H CB 0.075 29.702 29.762 -0.225 0.000 1.432 1125 H HN 0.542 nan 8.280 nan 0.000 0.549 1126 I N -3.023 117.546 120.570 -0.002 0.000 3.956 1126 I HA 0.166 4.335 4.170 -0.001 0.000 0.333 1126 I C 0.165 176.251 176.117 -0.052 0.000 1.302 1126 I CA -0.452 60.834 61.300 -0.023 0.000 1.122 1126 I CB -0.093 37.900 38.000 -0.011 0.000 1.013 1126 I HN -0.119 nan 8.210 nan 0.000 0.405 1127 F N 3.040 122.871 119.950 -0.198 0.000 2.629 1127 F HA 0.138 4.664 4.527 -0.001 0.000 0.369 1127 F C 1.192 176.920 175.800 -0.120 0.000 1.125 1127 F CA 0.730 58.610 58.000 -0.201 0.000 1.330 1127 F CB 0.468 39.366 39.000 -0.170 0.000 1.071 1127 F HN 0.023 nan 8.300 nan 0.000 0.595 1128 R N 2.761 122.641 120.500 -1.033 0.000 2.871 1128 R HA 0.293 4.632 4.340 -0.001 0.000 0.176 1128 R C -0.342 175.375 176.300 -0.971 0.000 0.830 1128 R CA -0.517 55.162 56.100 -0.702 0.000 1.160 1128 R CB 0.647 30.732 30.300 -0.359 0.000 1.614 1128 R HN 0.515 nan 8.270 nan 0.000 0.596 1129 R N 1.070 120.911 120.500 -1.099 0.000 2.668 1129 R HA 0.388 4.727 4.340 -0.001 0.000 0.272 1129 R C -2.791 173.221 176.300 -0.480 0.000 1.019 1129 R CA -1.746 53.956 56.100 -0.663 0.000 0.894 1129 R CB 2.562 32.674 30.300 -0.313 0.000 1.228 1129 R HN -0.051 nan 8.270 nan 0.000 0.460 1130 P HA 0.352 nan 4.420 nan 0.000 0.279 1130 P C -1.447 175.990 177.300 0.228 0.000 1.252 1130 P CA -0.669 62.622 63.100 0.318 0.000 0.811 1130 P CB 0.993 32.961 31.700 0.447 0.000 1.035 1131 K N 0.478 121.070 120.400 0.321 0.000 2.565 1131 K HA 0.643 4.963 4.320 -0.001 0.000 0.249 1131 K C -0.248 176.430 176.600 0.130 0.000 0.958 1131 K CA -0.230 56.174 56.287 0.195 0.000 0.806 1131 K CB 1.665 34.237 32.500 0.121 0.000 1.194 1131 K HN 0.920 nan 8.250 nan 0.000 0.434 1132 G N 1.557 110.479 108.800 0.203 0.000 2.631 1132 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.504 1132 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.504 1132 G C -1.608 173.270 174.900 -0.036 0.000 1.306 1132 G CA -1.101 43.982 45.100 -0.028 0.000 0.897 1132 G HN 0.419 nan 8.290 nan 0.000 0.520 1133 L N 0.081 121.099 121.223 -0.341 0.000 2.282 1133 L HA 0.684 5.023 4.340 -0.001 0.000 0.288 1133 L C -0.543 176.127 176.870 -0.333 0.000 1.033 1133 L CA -0.623 54.107 54.840 -0.183 0.000 0.807 1133 L CB 0.834 42.749 42.059 -0.240 0.000 1.209 1133 L HN 0.446 nan 8.230 nan 0.000 0.423 1134 F N 5.098 125.044 119.950 -0.007 0.000 2.427 1134 F HA 0.493 5.019 4.527 -0.001 0.000 0.346 1134 F C 0.188 175.955 175.800 -0.055 0.000 1.120 1134 F CA -0.418 57.553 58.000 -0.047 0.000 1.033 1134 F CB 1.484 40.470 39.000 -0.023 0.000 1.126 1134 F HN 0.207 nan 8.300 nan 0.000 0.462 1135 I N 3.093 123.698 120.570 0.058 0.000 2.468 1135 I HA 0.277 4.446 4.170 -0.001 0.000 0.284 1135 I C -0.439 175.678 176.117 -0.001 0.000 1.038 1135 I CA -0.440 60.865 61.300 0.008 0.000 1.083 1135 I CB 1.755 39.708 38.000 -0.078 0.000 1.223 1135 I HN 0.597 nan 8.210 nan 0.000 0.443 1136 S N 4.947 120.661 115.700 0.023 0.000 2.651 1136 S HA 0.419 4.889 4.470 -0.001 0.000 0.291 1136 S C 0.847 175.464 174.600 0.029 0.000 1.141 1136 S CA -0.683 57.528 58.200 0.018 0.000 1.027 1136 S CB 1.998 65.203 63.200 0.008 0.000 1.043 1136 S HN 0.601 nan 8.310 nan 0.000 0.530 1137 I N 1.920 122.515 120.570 0.042 0.000 2.423 1137 I HA -0.110 4.059 4.170 -0.001 0.000 0.254 1137 I C 2.113 178.265 176.117 0.059 0.000 1.151 1137 I CA 1.483 62.819 61.300 0.060 0.000 1.421 1137 I CB -0.533 37.518 38.000 0.084 0.000 1.079 1137 I HN 0.759 nan 8.210 nan 0.000 0.431 1138 S N 0.188 115.916 115.700 0.046 0.000 2.507 1138 S HA -0.079 4.390 4.470 -0.001 0.000 0.235 1138 S C 1.083 175.719 174.600 0.059 0.000 0.988 1138 S CA 1.020 59.246 58.200 0.044 0.000 0.944 1138 S CB -0.389 62.823 63.200 0.020 0.000 0.762 1138 S HN 0.547 nan 8.310 nan 0.000 0.526 1139 D N 1.403 121.845 120.400 0.069 0.000 2.402 1139 D HA 0.039 4.679 4.640 -0.001 0.000 0.216 1139 D C 0.331 176.722 176.300 0.152 0.000 1.128 1139 D CA -0.096 53.969 54.000 0.109 0.000 0.833 1139 D CB 0.168 41.017 40.800 0.082 0.000 0.971 1139 D HN 0.529 nan 8.370 nan 0.000 0.503 1140 R N 0.101 120.670 120.500 0.115 0.000 2.502 1140 R HA 0.295 4.635 4.340 -0.001 0.000 0.292 1140 R C 1.038 177.381 176.300 0.070 0.000 0.998 1140 R CA 0.741 56.890 56.100 0.082 0.000 1.056 1140 R CB 0.073 30.414 30.300 0.068 0.000 0.939 1140 R HN -0.015 nan 8.270 nan 0.000 0.411 1141 G N 1.895 110.682 108.800 -0.022 0.000 2.213 1141 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.236 1141 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.236 1141 G C 0.330 174.978 174.900 -0.421 0.000 0.991 1141 G CA 0.180 45.157 45.100 -0.205 0.000 0.629 1141 G HN 0.807 nan 8.290 nan 0.000 0.517 1142 H N -0.359 118.722 119.070 0.018 0.000 2.649 1142 H HA 0.380 4.935 4.556 -0.001 0.000 0.258 1142 H C 1.884 177.224 175.328 0.020 0.000 1.165 1142 H CA 0.443 56.501 56.048 0.017 0.000 1.006 1142 H CB 0.602 30.374 29.762 0.017 0.000 1.743 1142 H HN 0.247 nan 8.280 nan 0.000 0.609 1143 V N 0.825 120.792 119.914 0.090 0.000 2.515 1143 V HA -0.231 3.888 4.120 -0.001 0.000 0.250 1143 V C 2.715 178.842 176.094 0.056 0.000 1.058 1143 V CA 1.704 64.049 62.300 0.075 0.000 1.064 1143 V CB -0.233 31.628 31.823 0.065 0.000 0.675 1143 V HN 0.201 nan 8.190 nan 0.000 0.461 1144 R N 1.692 122.208 120.500 0.027 0.000 2.120 1144 R HA -0.127 4.212 4.340 -0.001 0.000 0.234 1144 R C 2.457 178.770 176.300 0.022 0.000 1.123 1144 R CA 1.916 58.017 56.100 0.003 0.000 0.975 1144 R CB -0.863 29.424 30.300 -0.021 0.000 0.866 1144 R HN 0.664 nan 8.270 nan 0.000 0.446 1145 S N -0.948 114.784 115.700 0.054 0.000 2.453 1145 S HA -0.030 4.439 4.470 -0.001 0.000 0.231 1145 S C 2.028 176.670 174.600 0.069 0.000 1.005 1145 S CA 0.911 59.148 58.200 0.062 0.000 0.949 1145 S CB -0.310 62.945 63.200 0.091 0.000 0.774 1145 S HN 0.349 nan 8.310 nan 0.000 0.510 1146 I N 1.012 121.631 120.570 0.081 0.000 2.277 1146 I HA -0.060 4.109 4.170 -0.001 0.000 0.243 1146 I C 2.422 178.608 176.117 0.114 0.000 1.094 1146 I CA 0.666 62.025 61.300 0.098 0.000 1.393 1146 I CB -0.262 37.797 38.000 0.098 0.000 1.078 1146 I HN 0.174 nan 8.210 nan 0.000 0.417 1147 V N 0.742 120.708 119.914 0.086 0.000 2.392 1147 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 1147 V C 1.708 177.862 176.094 0.100 0.000 1.059 1147 V CA 1.893 64.245 62.300 0.086 0.000 1.051 1147 V CB -0.640 31.188 31.823 0.009 0.000 0.658 1147 V HN 0.412 nan 8.190 nan 0.000 0.455 1148 D N -0.169 120.261 120.400 0.051 0.000 2.371 1148 D HA -0.074 4.565 4.640 -0.001 0.000 0.221 1148 D C 1.704 178.057 176.300 0.088 0.000 0.986 1148 D CA 0.500 54.523 54.000 0.038 0.000 0.899 1148 D CB -0.253 40.551 40.800 0.006 0.000 0.902 1148 D HN 0.371 nan 8.370 nan 0.000 0.530 1149 N N -0.399 118.378 118.700 0.130 0.000 2.422 1149 N HA -0.066 4.673 4.740 -0.001 0.000 0.181 1149 N C 0.075 175.693 175.510 0.180 0.000 1.080 1149 N CA -0.058 53.068 53.050 0.128 0.000 0.893 1149 N CB 0.132 38.692 38.487 0.121 0.000 0.973 1149 N HN 0.327 nan 8.380 nan 0.000 0.456 1150 W N 2.782 124.117 121.300 0.057 0.000 2.368 1150 W HA 0.105 4.764 4.660 -0.001 0.000 0.316 1150 W C -1.655 174.910 176.519 0.076 0.000 1.375 1150 W CA -1.410 55.979 57.345 0.073 0.000 1.261 1150 W CB 0.981 30.509 29.460 0.112 0.000 1.298 1150 W HN 0.078 nan 8.180 nan 0.000 0.539 1151 P HA -0.185 nan 4.420 nan 0.000 0.217 1151 P C -0.067 177.138 177.300 -0.158 0.000 1.148 1151 P CA 1.670 64.582 63.100 -0.314 0.000 0.828 1151 P CB 0.205 31.646 31.700 -0.431 0.000 0.783 1152 E N 0.198 120.312 120.200 -0.142 0.000 2.301 1152 E HA 0.111 4.460 4.350 -0.001 0.000 0.275 1152 E C 0.609 177.424 176.600 0.358 0.000 1.030 1152 E CA -0.152 56.334 56.400 0.143 0.000 0.852 1152 E CB 0.333 30.167 29.700 0.224 0.000 1.060 1152 E HN 0.346 nan 8.360 nan 0.000 0.401 1153 N N 1.048 119.925 118.700 0.294 0.000 2.205 1153 N HA -0.042 4.697 4.740 -0.001 0.000 0.201 1153 N C 0.249 176.006 175.510 0.411 0.000 1.128 1153 N CA 0.101 53.382 53.050 0.384 0.000 0.867 1153 N CB 0.485 39.091 38.487 0.199 0.000 0.996 1153 N HN 0.452 nan 8.380 nan 0.000 0.503 1154 H N 0.771 119.954 119.070 0.188 0.000 2.587 1154 H HA 0.308 4.863 4.556 -0.001 0.000 0.245 1154 H C -0.569 174.684 175.328 -0.126 0.000 1.238 1154 H CA -0.358 55.742 56.048 0.086 0.000 0.963 1154 H CB 0.322 30.125 29.762 0.067 0.000 1.904 1154 H HN -0.186 nan 8.280 nan 0.000 0.584 1155 V N 1.881 121.542 119.914 -0.421 0.000 2.694 1155 V HA -0.072 4.048 4.120 -0.001 0.000 0.306 1155 V C 0.935 176.850 176.094 -0.297 0.000 1.054 1155 V CA 0.695 62.652 62.300 -0.572 0.000 1.161 1155 V CB 1.074 32.154 31.823 -1.238 0.000 0.916 1155 V HN 0.570 nan 8.190 nan 0.000 0.490 1156 K N 2.385 122.695 120.400 -0.150 0.000 2.450 1156 K HA 0.475 4.794 4.320 -0.001 0.000 0.206 1156 K C 0.059 176.635 176.600 -0.039 0.000 1.148 1156 K CA 0.480 56.745 56.287 -0.036 0.000 1.014 1156 K CB 1.555 34.077 32.500 0.036 0.000 0.966 1156 K HN 0.736 nan 8.250 nan 0.000 0.566 1157 A N 0.810 123.564 122.820 -0.109 0.000 2.488 1157 A HA 0.646 4.965 4.320 -0.001 0.000 0.298 1157 A C -1.102 176.340 177.584 -0.237 0.000 1.044 1157 A CA -0.532 51.452 52.037 -0.087 0.000 0.693 1157 A CB 1.614 20.649 19.000 0.057 0.000 1.272 1157 A HN -0.129 nan 8.150 nan 0.000 0.402 1158 V N 1.484 121.260 119.914 -0.230 0.000 2.823 1158 V HA 0.732 4.852 4.120 -0.001 0.000 0.312 1158 V C -0.659 175.251 176.094 -0.308 0.000 1.072 1158 V CA -0.603 61.519 62.300 -0.296 0.000 0.937 1158 V CB 2.079 33.752 31.823 -0.251 0.000 1.013 1158 V HN 0.784 nan 8.190 nan 0.000 0.430 1159 V N 3.655 123.362 119.914 -0.345 0.000 2.525 1159 V HA 0.632 4.751 4.120 -0.001 0.000 0.299 1159 V C -0.702 175.203 176.094 -0.316 0.000 1.034 1159 V CA -0.546 61.556 62.300 -0.330 0.000 0.863 1159 V CB 1.943 33.558 31.823 -0.347 0.000 0.999 1159 V HN 0.637 nan 8.190 nan 0.000 0.423 1160 V N 4.317 124.043 119.914 -0.315 0.000 2.876 1160 V HA 0.906 5.025 4.120 -0.001 0.000 0.312 1160 V C -0.498 175.522 176.094 -0.125 0.000 1.085 1160 V CA 0.165 62.276 62.300 -0.314 0.000 0.945 1160 V CB 2.617 34.163 31.823 -0.461 0.000 1.017 1160 V HN 0.999 nan 8.190 nan 0.000 0.428 1161 T N 2.205 116.618 114.554 -0.235 0.000 2.864 1161 T HA 0.502 4.851 4.350 -0.001 0.000 0.299 1161 T C -0.664 173.671 174.700 -0.608 0.000 1.166 1161 T CA 0.257 62.120 62.100 -0.395 0.000 1.007 1161 T CB 1.830 70.529 68.868 -0.280 0.000 1.219 1161 T HN 0.962 nan 8.240 nan 0.000 0.506 1162 D N -0.256 119.614 120.400 -0.883 0.000 2.500 1162 D HA 0.262 4.902 4.640 -0.001 0.000 0.217 1162 D C 1.317 177.440 176.300 -0.295 0.000 1.159 1162 D CA 0.654 54.347 54.000 -0.511 0.000 0.828 1162 D CB -0.211 40.322 40.800 -0.445 0.000 1.039 1162 D HN 1.082 nan 8.370 nan 0.000 0.512 1163 G N 1.143 109.760 108.800 -0.305 0.000 2.179 1163 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.257 1163 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.257 1163 G C 0.698 175.532 174.900 -0.110 0.000 1.010 1163 G CA 0.661 45.665 45.100 -0.160 0.000 0.736 1163 G HN 0.487 nan 8.290 nan 0.000 0.513 1164 E N -0.626 119.498 120.200 -0.127 0.000 2.170 1164 E HA 0.072 4.422 4.350 -0.001 0.000 0.191 1164 E C 1.656 178.235 176.600 -0.034 0.000 0.981 1164 E CA 0.264 56.627 56.400 -0.061 0.000 0.830 1164 E CB 0.080 29.758 29.700 -0.036 0.000 0.775 1164 E HN 0.297 nan 8.360 nan 0.000 0.470 1165 R N 1.405 121.885 120.500 -0.032 0.000 2.651 1165 R HA 0.185 4.524 4.340 -0.001 0.000 0.282 1165 R C -1.106 175.178 176.300 -0.026 0.000 1.565 1165 R CA -0.441 55.651 56.100 -0.012 0.000 1.661 1165 R CB 0.224 30.535 30.300 0.018 0.000 1.189 1165 R HN 0.114 nan 8.270 nan 0.000 0.621 1166 I N 5.869 126.417 120.570 -0.037 0.000 2.329 1166 I HA 0.057 4.226 4.170 -0.001 0.000 0.295 1166 I C 1.485 177.575 176.117 -0.045 0.000 1.109 1166 I CA 0.384 61.655 61.300 -0.048 0.000 1.297 1166 I CB -0.413 37.558 38.000 -0.048 0.000 1.433 1166 I HN 0.634 nan 8.210 nan 0.000 0.509 1167 L N 4.876 126.069 121.223 -0.049 0.000 6.706 1167 L HA -0.295 4.044 4.340 -0.001 0.000 0.053 1167 L C 1.328 178.174 176.870 -0.040 0.000 1.950 1167 L CA 1.329 56.135 54.840 -0.057 0.000 1.620 1167 L CB -1.480 40.532 42.059 -0.078 0.000 2.781 1167 L HN 0.652 nan 8.230 nan 0.000 1.068 1168 G N -1.119 107.654 108.800 -0.044 0.000 3.605 1168 G HA2 0.429 4.388 3.960 -0.001 0.000 0.277 1168 G HA3 0.429 4.388 3.960 -0.001 0.000 0.277 1168 G C 0.625 175.507 174.900 -0.030 0.000 1.093 1168 G CA -0.093 44.986 45.100 -0.035 0.000 0.821 1168 G HN 0.191 nan 8.290 nan 0.000 0.532 1169 L N 0.088 121.294 121.223 -0.029 0.000 2.477 1169 L HA 0.382 4.721 4.340 -0.001 0.000 0.220 1169 L C 1.798 178.659 176.870 -0.015 0.000 1.106 1169 L CA 1.099 55.927 54.840 -0.020 0.000 0.851 1169 L CB -0.483 41.565 42.059 -0.019 0.000 0.994 1169 L HN 0.411 nan 8.230 nan 0.000 0.462 1170 G N -0.731 108.058 108.800 -0.018 0.000 2.481 1170 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.230 1170 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.230 1170 G C -0.546 174.342 174.900 -0.020 0.000 1.210 1170 G CA -0.100 44.990 45.100 -0.017 0.000 0.936 1170 G HN 0.142 nan 8.290 nan 0.000 0.583 1171 D N 1.355 121.740 120.400 -0.024 0.000 2.339 1171 D HA 0.486 5.126 4.640 -0.001 0.000 0.241 1171 D C 1.253 177.533 176.300 -0.032 0.000 1.183 1171 D CA -0.165 53.815 54.000 -0.034 0.000 0.859 1171 D CB 0.366 41.141 40.800 -0.042 0.000 1.067 1171 D HN 0.388 nan 8.370 nan 0.000 0.484 1172 L N 3.246 124.461 121.223 -0.013 0.000 2.959 1172 L HA 0.281 4.620 4.340 -0.001 0.000 0.259 1172 L C 1.596 178.498 176.870 0.053 0.000 1.185 1172 L CA -0.128 54.728 54.840 0.027 0.000 0.998 1172 L CB -0.036 42.080 42.059 0.094 0.000 1.337 1172 L HN 0.642 nan 8.230 nan 0.000 0.555 1173 G N 0.982 109.796 108.800 0.024 0.000 2.614 1173 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.303 1173 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.303 1173 G C 0.802 175.779 174.900 0.130 0.000 1.270 1173 G CA 0.319 45.480 45.100 0.102 0.000 0.988 1173 G HN -0.076 nan 8.290 nan 0.000 0.551 1174 V N 0.657 120.678 119.914 0.179 0.000 2.913 1174 V HA -0.091 4.029 4.120 -0.001 0.000 0.260 1174 V C 2.236 178.486 176.094 0.259 0.000 1.098 1174 V CA 2.392 64.773 62.300 0.134 0.000 1.121 1174 V CB -0.790 31.006 31.823 -0.045 0.000 0.714 1174 V HN 0.541 nan 8.190 nan 0.000 0.487 1175 Y N 0.603 120.975 120.300 0.121 0.000 2.574 1175 Y HA 0.011 4.560 4.550 -0.001 0.000 0.294 1175 Y C 1.861 177.606 175.900 -0.258 0.000 1.142 1175 Y CA -0.182 57.944 58.100 0.044 0.000 1.314 1175 Y CB -0.012 38.552 38.460 0.172 0.000 0.991 1175 Y HN 0.440 nan 8.280 nan 0.000 0.555 1179 I N 2.287 122.796 120.570 -0.103 0.000 2.099 1179 I HA -0.048 4.121 4.170 -0.001 0.000 0.239 1179 I C -0.182 175.911 176.117 -0.039 0.000 1.066 1179 I CA 1.626 62.898 61.300 -0.047 0.000 1.324 1179 I CB -1.866 36.085 38.000 -0.082 0.000 1.037 1179 I HN 0.075 nan 8.210 nan 0.000 0.401 1180 P HA -0.065 nan 4.420 nan 0.000 0.218 1180 P C 2.255 179.493 177.300 -0.104 0.000 1.149 1180 P CA 0.930 63.945 63.100 -0.142 0.000 0.817 1180 P CB 0.002 31.576 31.700 -0.209 0.000 0.785 1181 V N 0.265 120.149 119.914 -0.050 0.000 2.261 1181 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 1181 V C 2.638 178.776 176.094 0.074 0.000 1.047 1181 V CA 2.618 64.924 62.300 0.010 0.000 1.015 1181 V CB -1.838 30.036 31.823 0.085 0.000 0.642 1181 V HN 0.168 nan 8.190 nan 0.000 0.446 1182 G N -0.477 108.402 108.800 0.132 0.000 2.422 1182 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.218 1182 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.218 1182 G C 1.643 176.678 174.900 0.226 0.000 1.146 1182 G CA 0.508 45.737 45.100 0.215 0.000 0.769 1182 G HN 0.381 nan 8.290 nan 0.000 0.547 1183 K N 0.234 120.734 120.400 0.166 0.000 2.032 1183 K HA 0.031 4.350 4.320 -0.001 0.000 0.209 1183 K C 2.482 179.236 176.600 0.256 0.000 1.048 1183 K CA 0.685 57.085 56.287 0.188 0.000 0.927 1183 K CB -0.519 31.934 32.500 -0.079 0.000 0.712 1183 K HN 0.341 nan 8.250 nan 0.000 0.441 1184 L N 0.450 121.688 121.223 0.026 0.000 2.201 1184 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 1184 L C 2.657 179.628 176.870 0.167 0.000 1.105 1184 L CA 0.527 55.321 54.840 -0.076 0.000 0.775 1184 L CB -0.485 41.439 42.059 -0.225 0.000 0.913 1184 L HN 0.187 nan 8.230 nan 0.000 0.440 1185 C N -0.003 119.441 119.300 0.240 0.000 2.432 1185 C HA -0.145 4.315 4.460 -0.001 0.000 0.277 1185 C C 2.686 177.880 174.990 0.340 0.000 1.249 1185 C CA 0.546 59.795 59.018 0.385 0.000 1.725 1185 C CB -0.734 27.210 27.740 0.339 0.000 2.028 1185 C HN 0.449 nan 8.230 nan 0.000 0.477 1186 L N -1.044 120.341 121.223 0.269 0.000 2.201 1186 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 1186 L C 2.416 179.406 176.870 0.200 0.000 1.105 1186 L CA 1.340 56.281 54.840 0.168 0.000 0.775 1186 L CB -0.736 41.386 42.059 0.105 0.000 0.913 1186 L HN 0.320 nan 8.230 nan 0.000 0.440 1187 Y N 0.700 121.078 120.300 0.130 0.000 2.165 1187 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 1187 Y C 2.817 178.700 175.900 -0.028 0.000 1.155 1187 Y CA 1.926 60.076 58.100 0.082 0.000 1.164 1187 Y CB -0.635 37.872 38.460 0.078 0.000 0.978 1187 Y HN 0.117 nan 8.280 nan 0.000 0.513 1188 T N -0.845 113.765 114.554 0.093 0.000 2.814 1188 T HA -0.027 4.323 4.350 -0.001 0.000 0.254 1188 T C 2.162 176.807 174.700 -0.092 0.000 1.037 1188 T CA 1.082 63.087 62.100 -0.159 0.000 1.143 1188 T CB -0.623 67.850 68.868 -0.657 0.000 0.866 1188 T HN 0.332 nan 8.240 nan 0.000 0.431 1189 A N 0.182 123.022 122.820 0.034 0.000 2.019 1189 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 1189 A C 2.461 180.035 177.584 -0.017 0.000 1.164 1189 A CA 1.343 53.424 52.037 0.074 0.000 0.644 1189 A CB -1.020 18.048 19.000 0.112 0.000 0.805 1189 A HN 0.632 nan 8.150 nan 0.000 0.449 1190 C N -2.645 116.622 119.300 -0.054 0.000 2.487 1190 C HA 0.510 4.969 4.460 -0.001 0.000 0.311 1190 C C 2.614 177.543 174.990 -0.102 0.000 1.367 1190 C CA 0.503 59.451 59.018 -0.116 0.000 1.865 1190 C CB -0.327 27.285 27.740 -0.213 0.000 2.277 1190 C HN 0.664 nan 8.230 nan 0.000 0.521 1191 A N -0.441 122.325 122.820 -0.091 0.000 2.470 1191 A HA 0.516 4.835 4.320 -0.001 0.000 0.251 1191 A C 1.377 178.938 177.584 -0.040 0.000 1.245 1191 A CA 0.907 52.895 52.037 -0.082 0.000 0.932 1191 A CB -0.581 18.345 19.000 -0.124 0.000 1.037 1191 A HN 1.168 nan 8.150 nan 0.000 0.522 1192 G N 0.157 108.951 108.800 -0.010 0.000 2.273 1192 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.280 1192 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.280 1192 G C 0.009 174.940 174.900 0.051 0.000 1.047 1192 G CA 0.477 45.609 45.100 0.054 0.000 0.869 1192 G HN 0.501 nan 8.290 nan 0.000 0.502 1193 I N 0.398 120.962 120.570 -0.010 0.000 2.395 1193 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 1193 I C 1.410 177.424 176.117 -0.171 0.000 1.023 1193 I CA -0.753 60.534 61.300 -0.021 0.000 1.350 1193 I CB 0.657 38.703 38.000 0.076 0.000 1.409 1193 I HN 0.125 nan 8.210 nan 0.000 0.507 1194 R N 7.426 127.806 120.500 -0.201 0.000 2.504 1194 R HA -0.036 4.304 4.340 -0.001 0.000 0.291 1194 R C -1.582 174.418 176.300 -0.500 0.000 0.974 1194 R CA -0.865 54.944 56.100 -0.485 0.000 1.077 1194 R CB 0.004 30.148 30.300 -0.260 0.000 0.926 1194 R HN 0.403 nan 8.270 nan 0.000 0.407 1195 P HA -0.181 nan 4.420 nan 0.000 0.216 1195 P C 0.444 177.615 177.300 -0.216 0.000 1.153 1195 P CA 1.197 64.026 63.100 -0.451 0.000 0.848 1195 P CB 0.103 31.503 31.700 -0.500 0.000 0.787 1196 D N -0.481 119.798 120.400 -0.202 0.000 2.309 1196 D HA -0.158 4.481 4.640 -0.001 0.000 0.212 1196 D C 1.347 177.635 176.300 -0.020 0.000 0.968 1196 D CA 0.810 54.776 54.000 -0.057 0.000 0.882 1196 D CB -0.686 40.091 40.800 -0.039 0.000 0.918 1196 D HN 0.210 nan 8.370 nan 0.000 0.503 1197 R N -0.296 120.150 120.500 -0.090 0.000 2.359 1197 R HA 0.201 4.541 4.340 -0.001 0.000 0.231 1197 R C 0.012 176.231 176.300 -0.135 0.000 0.913 1197 R CA -0.116 55.931 56.100 -0.088 0.000 1.075 1197 R CB 0.132 30.385 30.300 -0.078 0.000 1.087 1197 R HN 0.174 nan 8.270 nan 0.000 0.515 1198 C N 1.222 120.440 119.300 -0.138 0.000 2.397 1198 C HA 0.653 5.112 4.460 -0.001 0.000 0.343 1198 C C -0.285 174.557 174.990 -0.246 0.000 1.188 1198 C CA -1.008 57.882 59.018 -0.214 0.000 1.992 1198 C CB 1.261 28.868 27.740 -0.222 0.000 2.358 1198 C HN 0.326 nan 8.230 nan 0.000 0.518 1199 L N 4.648 125.640 121.223 -0.386 0.000 2.596 1199 L HA 0.584 4.924 4.340 -0.001 0.000 0.265 1199 L C -2.873 173.692 176.870 -0.509 0.000 0.962 1199 L CA -1.448 53.053 54.840 -0.566 0.000 0.891 1199 L CB 1.714 43.258 42.059 -0.858 0.000 1.248 1199 L HN 0.413 nan 8.230 nan 0.000 0.410 1200 P HA 0.451 nan 4.420 nan 0.000 0.285 1200 P C -1.257 175.774 177.300 -0.449 0.000 1.259 1200 P CA -0.257 62.616 63.100 -0.379 0.000 0.794 1200 P CB 1.841 33.379 31.700 -0.270 0.000 0.940 1201 V N 2.812 122.473 119.914 -0.421 0.000 2.789 1201 V HA 0.431 4.550 4.120 -0.001 0.000 0.311 1201 V C -0.379 175.438 176.094 -0.461 0.000 1.073 1201 V CA -0.535 61.488 62.300 -0.462 0.000 0.921 1201 V CB 2.498 34.062 31.823 -0.433 0.000 1.009 1201 V HN 0.752 nan 8.190 nan 0.000 0.426 1202 C N 6.197 125.212 119.300 -0.475 0.000 2.396 1202 C HA 0.653 5.112 4.460 -0.001 0.000 0.321 1202 C C -0.617 174.212 174.990 -0.268 0.000 1.233 1202 C CA -0.529 58.279 59.018 -0.350 0.000 1.440 1202 C CB 0.050 27.625 27.740 -0.274 0.000 2.110 1202 C HN 0.721 nan 8.230 nan 0.000 0.473 1203 I N 5.495 125.894 120.570 -0.284 0.000 2.297 1203 I HA 0.261 4.430 4.170 -0.001 0.000 0.291 1203 I C 0.048 176.112 176.117 -0.088 0.000 1.033 1203 I CA 0.446 61.613 61.300 -0.221 0.000 1.253 1203 I CB 0.846 38.687 38.000 -0.265 0.000 1.396 1203 I HN 0.692 nan 8.210 nan 0.000 0.476 1204 D N 6.782 127.168 120.400 -0.023 0.000 2.412 1204 D HA 0.284 4.924 4.640 -0.001 0.000 0.224 1204 D C 0.596 176.923 176.300 0.044 0.000 1.093 1204 D CA -0.335 53.678 54.000 0.021 0.000 0.850 1204 D CB 1.209 42.023 40.800 0.023 0.000 1.046 1204 D HN 0.341 nan 8.370 nan 0.000 0.507 1205 V N 1.635 121.600 119.914 0.085 0.000 3.176 1205 V HA 0.716 4.836 4.120 -0.001 0.000 0.332 1205 V C 0.843 176.993 176.094 0.093 0.000 1.414 1205 V CA 0.316 62.689 62.300 0.122 0.000 1.133 1205 V CB -0.316 31.660 31.823 0.255 0.000 1.088 1205 V HN 0.700 nan 8.190 nan 0.000 0.473 1206 G N -0.210 108.634 108.800 0.072 0.000 2.434 1206 G HA2 0.274 4.233 3.960 -0.001 0.000 0.671 1206 G HA3 0.274 4.233 3.960 -0.001 0.000 0.671 1206 G C -0.484 174.441 174.900 0.042 0.000 1.280 1206 G CA -0.018 45.120 45.100 0.063 0.000 0.975 1206 G HN 1.175 nan 8.290 nan 0.000 0.510 1207 T N -1.128 113.426 114.554 -0.001 0.000 3.041 1207 T HA 0.554 4.903 4.350 -0.001 0.000 0.321 1207 T C -0.458 174.195 174.700 -0.079 0.000 1.184 1207 T CA 0.156 62.222 62.100 -0.057 0.000 1.050 1207 T CB 1.661 70.446 68.868 -0.138 0.000 1.159 1207 T HN 0.419 nan 8.240 nan 0.000 0.469 1208 D N 2.294 122.652 120.400 -0.069 0.000 2.340 1208 D HA 0.049 4.688 4.640 -0.001 0.000 0.220 1208 D C 0.491 176.745 176.300 -0.077 0.000 1.039 1208 D CA 0.110 54.074 54.000 -0.061 0.000 0.866 1208 D CB 0.226 40.999 40.800 -0.045 0.000 0.913 1208 D HN 0.423 nan 8.370 nan 0.000 0.523 1209 N N 1.578 120.210 118.700 -0.113 0.000 2.406 1209 N HA -0.029 4.710 4.740 -0.001 0.000 0.269 1209 N C 1.102 176.533 175.510 -0.132 0.000 1.210 1209 N CA -0.177 52.800 53.050 -0.122 0.000 0.966 1209 N CB 0.454 38.844 38.487 -0.162 0.000 1.293 1209 N HN -0.070 nan 8.380 nan 0.000 0.491 1210 I N 3.269 123.788 120.570 -0.084 0.000 2.335 1210 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 1210 I C 2.210 178.282 176.117 -0.075 0.000 1.129 1210 I CA 0.975 62.232 61.300 -0.072 0.000 1.402 1210 I CB -0.438 37.534 38.000 -0.046 0.000 1.069 1210 I HN 0.605 nan 8.210 nan 0.000 0.424 1211 A N 0.105 122.885 122.820 -0.067 0.000 1.873 1211 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 1211 A C 2.309 179.851 177.584 -0.069 0.000 1.186 1211 A CA 1.387 53.400 52.037 -0.041 0.000 0.616 1211 A CB -0.865 18.128 19.000 -0.011 0.000 0.823 1211 A HN 0.386 nan 8.150 nan 0.000 0.442 1212 L N -0.573 120.548 121.223 -0.170 0.000 2.131 1212 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 1212 L C 2.210 178.900 176.870 -0.300 0.000 1.092 1212 L CA 0.793 55.427 54.840 -0.343 0.000 0.759 1212 L CB -0.537 41.072 42.059 -0.749 0.000 0.903 1212 L HN 0.359 nan 8.230 nan 0.000 0.435 1213 L N -0.394 120.699 121.223 -0.217 0.000 2.549 1213 L HA -0.149 4.191 4.340 -0.001 0.000 0.229 1213 L C 1.937 178.756 176.870 -0.085 0.000 1.158 1213 L CA 0.935 55.744 54.840 -0.052 0.000 0.842 1213 L CB -0.226 41.796 42.059 -0.061 0.000 0.952 1213 L HN 0.195 nan 8.230 nan 0.000 0.452 1214 K N -1.012 119.343 120.400 -0.076 0.000 2.413 1214 K HA 0.046 4.365 4.320 -0.001 0.000 0.204 1214 K C -0.054 176.526 176.600 -0.033 0.000 1.041 1214 K CA -0.174 56.062 56.287 -0.086 0.000 1.082 1214 K CB 0.532 33.000 32.500 -0.054 0.000 0.871 1214 K HN -0.051 nan 8.250 nan 0.000 0.535 1215 D N 0.875 121.307 120.400 0.054 0.000 2.359 1215 D HA 0.117 4.756 4.640 -0.001 0.000 0.230 1215 D C -2.030 174.362 176.300 0.154 0.000 1.118 1215 D CA -2.443 51.646 54.000 0.148 0.000 0.844 1215 D CB 1.746 42.691 40.800 0.241 0.000 1.059 1215 D HN -0.109 nan 8.370 nan 0.000 0.493 1216 P HA -0.008 nan 4.420 nan 0.000 0.228 1216 P C 0.424 177.522 177.300 -0.336 0.000 1.151 1216 P CA 0.710 63.660 63.100 -0.251 0.000 0.770 1216 P CB 0.011 31.416 31.700 -0.492 0.000 0.786 1217 F N -3.838 116.175 119.950 0.104 0.000 2.678 1217 F HA 0.214 4.740 4.527 -0.001 0.000 0.305 1217 F C 1.356 177.253 175.800 0.162 0.000 1.090 1217 F CA -0.976 57.048 58.000 0.040 0.000 1.272 1217 F CB -0.834 38.078 39.000 -0.147 0.000 1.060 1217 F HN -0.135 nan 8.300 nan 0.000 0.576 1221 L N 0.621 121.714 121.223 -0.218 0.000 2.499 1221 L HA 0.252 4.591 4.340 -0.001 0.000 0.273 1221 L C -0.068 176.791 176.870 -0.018 0.000 1.195 1221 L CA 0.198 54.970 54.840 -0.113 0.000 0.882 1221 L CB -0.144 41.904 42.059 -0.018 0.000 1.133 1221 L HN 0.469 nan 8.230 nan 0.000 0.483 1222 Y N 4.433 124.790 120.300 0.096 0.000 2.570 1222 Y HA 0.275 4.825 4.550 -0.001 0.000 0.336 1222 Y C 0.477 176.392 175.900 0.026 0.000 1.284 1222 Y CA -0.311 57.836 58.100 0.078 0.000 1.761 1222 Y CB -0.184 38.302 38.460 0.043 0.000 1.724 1222 Y HN 0.595 nan 8.280 nan 0.000 0.455 1223 Q N 0.270 120.155 119.800 0.143 0.000 2.527 1223 Q HA 0.426 4.765 4.340 -0.001 0.000 0.280 1223 Q C -1.444 174.580 176.000 0.041 0.000 0.977 1223 Q CA -1.370 54.481 55.803 0.079 0.000 0.837 1223 Q CB 1.599 30.378 28.738 0.069 0.000 1.454 1223 Q HN 0.157 nan 8.270 nan 0.000 0.387 1224 K N 1.128 121.540 120.400 0.020 0.000 2.187 1224 K HA 0.241 4.561 4.320 -0.001 0.000 0.247 1224 K C -0.215 176.391 176.600 0.010 0.000 1.019 1224 K CA -0.441 55.846 56.287 0.000 0.000 0.893 1224 K CB 0.393 32.889 32.500 -0.006 0.000 1.025 1224 K HN 0.511 nan 8.250 nan 0.000 0.500 1225 R N 1.710 122.208 120.500 -0.004 0.000 2.570 1225 R HA -0.036 4.303 4.340 -0.001 0.000 0.277 1225 R C 0.100 176.405 176.300 0.009 0.000 1.039 1225 R CA -0.141 55.961 56.100 0.002 0.000 1.065 1225 R CB 0.119 30.398 30.300 -0.035 0.000 0.964 1225 R HN 0.549 nan 8.270 nan 0.000 0.428 1226 D N 2.610 123.040 120.400 0.050 0.000 2.339 1226 D HA 0.044 4.683 4.640 -0.001 0.000 0.241 1226 D C 0.167 176.498 176.300 0.052 0.000 1.183 1226 D CA -0.123 53.921 54.000 0.073 0.000 0.859 1226 D CB 0.687 41.563 40.800 0.126 0.000 1.067 1226 D HN 0.399 nan 8.370 nan 0.000 0.484 1227 R N 1.790 122.294 120.500 0.007 0.000 2.393 1227 R HA 0.097 4.436 4.340 -0.001 0.000 0.244 1227 R C 1.066 177.398 176.300 0.054 0.000 0.920 1227 R CA -0.170 55.904 56.100 -0.043 0.000 1.076 1227 R CB 0.516 30.771 30.300 -0.075 0.000 1.119 1227 R HN 0.481 nan 8.270 nan 0.000 0.524 1228 T N -2.222 112.397 114.554 0.108 0.000 2.729 1228 T HA -0.040 4.309 4.350 -0.001 0.000 0.298 1228 T C 1.266 176.081 174.700 0.191 0.000 1.013 1228 T CA -0.488 61.686 62.100 0.123 0.000 0.957 1228 T CB 1.090 70.017 68.868 0.099 0.000 1.130 1228 T HN -0.052 nan 8.240 nan 0.000 0.526 1229 Q N -0.098 119.796 119.800 0.156 0.000 2.368 1229 Q HA -0.115 4.224 4.340 -0.001 0.000 0.210 1229 Q C 2.264 178.373 176.000 0.182 0.000 0.982 1229 Q CA 1.633 57.538 55.803 0.170 0.000 0.884 1229 Q CB -0.588 28.222 28.738 0.119 0.000 0.933 1229 Q HN 0.773 nan 8.270 nan 0.000 0.460 1230 Q N -1.361 118.542 119.800 0.171 0.000 2.084 1230 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 1230 Q C 1.681 177.796 176.000 0.192 0.000 0.978 1230 Q CA 1.537 57.432 55.803 0.153 0.000 0.844 1230 Q CB -0.355 28.463 28.738 0.133 0.000 0.898 1230 Q HN 0.577 nan 8.270 nan 0.000 0.426 1231 Y N 2.202 122.584 120.300 0.137 0.000 2.128 1231 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 1231 Y C 1.393 177.431 175.900 0.229 0.000 1.154 1231 Y CA 2.070 60.276 58.100 0.177 0.000 1.149 1231 Y CB -0.158 38.424 38.460 0.205 0.000 0.976 1231 Y HN 0.093 nan 8.280 nan 0.000 0.505 1232 D N -0.279 120.311 120.400 0.317 0.000 2.178 1232 D HA -0.154 4.486 4.640 -0.001 0.000 0.201 1232 D C 1.770 178.160 176.300 0.150 0.000 0.980 1232 D CA 1.673 55.840 54.000 0.278 0.000 0.842 1232 D CB -0.334 40.661 40.800 0.324 0.000 0.948 1232 D HN 0.630 nan 8.370 nan 0.000 0.472 1233 D N -0.427 120.045 120.400 0.121 0.000 2.097 1233 D HA -0.142 4.497 4.640 -0.001 0.000 0.197 1233 D C 1.943 178.271 176.300 0.047 0.000 0.984 1233 D CA 0.565 54.618 54.000 0.087 0.000 0.826 1233 D CB -0.151 40.696 40.800 0.077 0.000 0.973 1233 D HN 0.028 nan 8.370 nan 0.000 0.460 1234 L N 0.538 121.769 121.223 0.014 0.000 1.997 1234 L HA -0.174 4.165 4.340 -0.001 0.000 0.216 1234 L C 2.167 179.015 176.870 -0.036 0.000 1.074 1234 L CA 1.622 56.451 54.840 -0.019 0.000 0.763 1234 L CB -0.652 41.376 42.059 -0.053 0.000 0.890 1234 L HN 0.263 nan 8.230 nan 0.000 0.434 1235 I N -0.772 119.719 120.570 -0.132 0.000 2.286 1235 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 1235 I C 2.235 178.342 176.117 -0.015 0.000 1.115 1235 I CA 1.653 62.871 61.300 -0.137 0.000 1.392 1235 I CB -1.368 36.367 38.000 -0.443 0.000 1.065 1235 I HN 0.380 nan 8.210 nan 0.000 0.418 1236 D N 0.599 121.030 120.400 0.052 0.000 2.097 1236 D HA -0.210 4.429 4.640 -0.001 0.000 0.197 1236 D C 2.257 178.571 176.300 0.023 0.000 0.984 1236 D CA 0.999 55.066 54.000 0.112 0.000 0.826 1236 D CB 0.125 41.031 40.800 0.177 0.000 0.973 1236 D HN 0.291 nan 8.370 nan 0.000 0.460 1237 E N -0.941 119.276 120.200 0.028 0.000 2.153 1237 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 1237 E C 0.712 177.300 176.600 -0.020 0.000 0.988 1237 E CA 0.110 56.514 56.400 0.007 0.000 0.811 1237 E CB -0.051 29.661 29.700 0.021 0.000 0.746 1237 E HN 0.246 nan 8.360 nan 0.000 0.466 1241 A N 2.099 124.804 122.820 -0.193 0.000 1.883 1241 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 1241 A C 1.984 179.443 177.584 -0.208 0.000 1.186 1241 A CA 1.769 53.712 52.037 -0.158 0.000 0.624 1241 A CB -0.640 18.300 19.000 -0.100 0.000 0.822 1241 A HN 0.346 nan 8.150 nan 0.000 0.444 1242 I N 0.735 121.113 120.570 -0.320 0.000 2.142 1242 I HA -0.217 3.952 4.170 -0.001 0.000 0.240 1242 I C 2.755 178.765 176.117 -0.178 0.000 1.078 1242 I CA 2.325 63.462 61.300 -0.272 0.000 1.343 1242 I CB -1.881 35.812 38.000 -0.513 0.000 1.046 1242 I HN 0.531 nan 8.210 nan 0.000 0.405 1243 T N -1.492 112.929 114.554 -0.222 0.000 2.867 1243 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 1243 T C 1.510 176.168 174.700 -0.070 0.000 1.057 1243 T CA 1.121 63.163 62.100 -0.096 0.000 1.136 1243 T CB -0.331 68.534 68.868 -0.005 0.000 0.874 1243 T HN 0.191 nan 8.240 nan 0.000 0.466 1244 D N 1.043 121.381 120.400 -0.104 0.000 2.144 1244 D HA -0.015 4.624 4.640 -0.001 0.000 0.200 1244 D C 2.259 178.465 176.300 -0.157 0.000 0.978 1244 D CA 0.802 54.742 54.000 -0.101 0.000 0.833 1244 D CB -0.215 40.529 40.800 -0.093 0.000 0.961 1244 D HN 0.377 nan 8.370 nan 0.000 0.470 1245 R N -0.897 119.444 120.500 -0.266 0.000 2.127 1245 R HA -0.021 4.318 4.340 -0.001 0.000 0.217 1245 R C 1.318 177.304 176.300 -0.523 0.000 1.074 1245 R CA 0.701 56.523 56.100 -0.465 0.000 0.991 1245 R CB 0.184 30.045 30.300 -0.732 0.000 0.895 1245 R HN 0.269 nan 8.270 nan 0.000 0.450 1246 Y N -1.276 118.968 120.300 -0.093 0.000 2.430 1246 Y HA 0.357 4.906 4.550 -0.001 0.000 0.248 1246 Y C 0.637 176.480 175.900 -0.095 0.000 1.108 1246 Y CA 0.014 58.051 58.100 -0.104 0.000 1.264 1246 Y CB 1.670 40.071 38.460 -0.097 0.000 1.172 1246 Y HN 0.221 nan 8.280 nan 0.000 0.520 1247 G N 0.300 109.125 108.800 0.041 0.000 2.465 1247 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.681 1247 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.681 1247 G C -0.142 174.770 174.900 0.020 0.000 1.340 1247 G CA -0.925 44.186 45.100 0.019 0.000 0.884 1247 G HN 0.017 nan 8.290 nan 0.000 0.650 1248 R N 0.269 120.775 120.500 0.011 0.000 2.189 1248 R HA -0.092 4.248 4.340 -0.001 0.000 0.223 1248 R C 1.854 178.158 176.300 0.006 0.000 1.092 1248 R CA 1.541 57.657 56.100 0.025 0.000 0.989 1248 R CB -0.071 30.219 30.300 -0.017 0.000 0.876 1248 R HN 0.645 nan 8.270 nan 0.000 0.457 1249 N N -0.259 118.431 118.700 -0.016 0.000 2.295 1249 N HA -0.023 4.716 4.740 -0.001 0.000 0.221 1249 N C -0.565 174.954 175.510 0.014 0.000 1.129 1249 N CA -0.009 53.026 53.050 -0.025 0.000 0.836 1249 N CB 0.175 38.640 38.487 -0.036 0.000 1.040 1249 N HN -0.252 nan 8.380 nan 0.000 0.494 1250 T N 1.606 116.168 114.554 0.014 0.000 2.834 1250 T HA 0.103 4.453 4.350 -0.001 0.000 0.298 1250 T C 0.337 175.036 174.700 -0.002 0.000 0.966 1250 T CA -0.460 61.641 62.100 0.002 0.000 1.141 1250 T CB 0.708 69.563 68.868 -0.023 0.000 0.905 1250 T HN 0.247 nan 8.240 nan 0.000 0.535 1251 L N 5.039 126.282 121.223 0.033 0.000 2.462 1251 L HA 0.330 4.669 4.340 -0.001 0.000 0.272 1251 L C -0.541 176.326 176.870 -0.004 0.000 1.166 1251 L CA 0.075 54.964 54.840 0.081 0.000 0.880 1251 L CB 0.196 42.361 42.059 0.177 0.000 1.142 1251 L HN 0.644 nan 8.230 nan 0.000 0.473 1252 I N 5.293 125.854 120.570 -0.015 0.000 2.466 1252 I HA 0.203 4.372 4.170 -0.001 0.000 0.279 1252 I C -0.289 175.733 176.117 -0.158 0.000 1.033 1252 I CA -0.288 60.927 61.300 -0.141 0.000 1.123 1252 I CB 1.651 39.516 38.000 -0.225 0.000 1.237 1252 I HN 0.577 nan 8.210 nan 0.000 0.460 1253 Q N 6.180 125.816 119.800 -0.274 0.000 2.296 1253 Q HA 0.435 4.774 4.340 -0.001 0.000 0.257 1253 Q C -1.443 174.343 176.000 -0.356 0.000 0.942 1253 Q CA -0.470 55.034 55.803 -0.497 0.000 0.939 1253 Q CB 1.043 29.500 28.738 -0.467 0.000 1.198 1253 Q HN 0.420 nan 8.270 nan 0.000 0.429 1254 F N 2.601 122.312 119.950 -0.399 0.000 2.384 1254 F HA 0.361 4.888 4.527 -0.001 0.000 0.338 1254 F C 0.212 175.947 175.800 -0.108 0.000 1.103 1254 F CA -0.175 57.701 58.000 -0.207 0.000 1.157 1254 F CB 1.551 40.373 39.000 -0.296 0.000 1.167 1254 F HN 0.625 nan 8.300 nan 0.000 0.529 1255 E N 1.194 121.534 120.200 0.233 0.000 2.304 1255 E HA 0.305 4.654 4.350 -0.001 0.000 0.277 1255 E C -1.433 175.279 176.600 0.187 0.000 0.898 1255 E CA -0.542 55.937 56.400 0.130 0.000 0.764 1255 E CB 1.045 30.722 29.700 -0.039 0.000 1.216 1255 E HN 0.500 nan 8.360 nan 0.000 0.419 1256 D N 2.044 122.522 120.400 0.131 0.000 2.723 1256 D HA -0.214 4.425 4.640 -0.001 0.000 0.236 1256 D C -0.991 175.352 176.300 0.072 0.000 1.138 1256 D CA 0.979 55.019 54.000 0.067 0.000 0.676 1256 D CB -1.216 39.568 40.800 -0.026 0.000 1.069 1256 D HN 0.228 nan 8.370 nan 0.000 0.430 1257 F N 0.368 120.358 119.950 0.067 0.000 2.380 1257 F HA 0.569 5.096 4.527 -0.001 0.000 0.321 1257 F C 1.887 177.736 175.800 0.082 0.000 1.103 1257 F CA 0.102 58.179 58.000 0.129 0.000 1.067 1257 F CB 0.856 40.004 39.000 0.247 0.000 1.265 1257 F HN -0.037 nan 8.300 nan 0.000 0.517 1258 G N 1.324 110.281 108.800 0.262 0.000 2.636 1258 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.246 1258 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.246 1258 G C 0.908 175.913 174.900 0.174 0.000 1.216 1258 G CA -0.355 44.843 45.100 0.163 0.000 0.854 1258 G HN 0.713 nan 8.290 nan 0.000 0.572 1259 N N 0.109 118.894 118.700 0.142 0.000 2.027 1259 N HA -0.276 4.463 4.740 -0.001 0.000 0.200 1259 N C 1.860 177.505 175.510 0.225 0.000 1.042 1259 N CA 2.258 55.413 53.050 0.175 0.000 0.871 1259 N CB -0.539 38.047 38.487 0.165 0.000 1.063 1259 N HN 0.771 nan 8.380 nan 0.000 0.438 1260 H N 0.514 119.643 119.070 0.097 0.000 2.251 1260 H HA -0.040 4.515 4.556 -0.001 0.000 0.294 1260 H C 1.818 177.133 175.328 -0.022 0.000 1.078 1260 H CA 2.754 58.833 56.048 0.052 0.000 1.246 1260 H CB -0.681 29.082 29.762 0.001 0.000 1.358 1260 H HN 0.448 nan 8.280 nan 0.000 0.488 1261 N N -0.125 118.487 118.700 -0.145 0.000 2.166 1261 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 1261 N C 2.040 177.322 175.510 -0.380 0.000 1.019 1261 N CA 0.872 53.662 53.050 -0.434 0.000 0.856 1261 N CB -0.185 38.380 38.487 0.130 0.000 0.993 1261 N HN 0.503 nan 8.380 nan 0.000 0.426 1262 A N 0.750 123.518 122.820 -0.086 0.000 1.883 1262 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 1262 A C 1.847 179.214 177.584 -0.362 0.000 1.186 1262 A CA 1.297 53.219 52.037 -0.191 0.000 0.624 1262 A CB -0.901 17.994 19.000 -0.176 0.000 0.822 1262 A HN 0.247 nan 8.150 nan 0.000 0.444 1263 F N 0.259 120.037 119.950 -0.286 0.000 2.163 1263 F HA -0.114 4.412 4.527 -0.001 0.000 0.297 1263 F C 2.664 178.306 175.800 -0.264 0.000 1.094 1263 F CA 1.608 59.415 58.000 -0.321 0.000 1.290 1263 F CB -0.203 38.537 39.000 -0.433 0.000 1.017 1263 F HN 0.285 nan 8.300 nan 0.000 0.483 1264 R N -0.006 120.378 120.500 -0.193 0.000 2.081 1264 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 1264 R C 2.033 178.177 176.300 -0.260 0.000 1.131 1264 R CA 1.937 57.860 56.100 -0.296 0.000 0.960 1264 R CB -1.517 28.435 30.300 -0.579 0.000 0.856 1264 R HN 0.256 nan 8.270 nan 0.000 0.436 1265 F N 1.015 120.840 119.950 -0.209 0.000 2.206 1265 F HA -0.092 4.435 4.527 -0.001 0.000 0.298 1265 F C 2.349 177.980 175.800 -0.282 0.000 1.090 1265 F CA 0.163 58.013 58.000 -0.250 0.000 1.323 1265 F CB -0.164 38.590 39.000 -0.411 0.000 1.028 1265 F HN 0.021 nan 8.300 nan 0.000 0.492 1266 L N 1.178 122.294 121.223 -0.178 0.000 1.989 1266 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 1266 L C 2.470 179.336 176.870 -0.006 0.000 1.071 1266 L CA 1.833 56.588 54.840 -0.142 0.000 0.749 1266 L CB -0.796 41.152 42.059 -0.186 0.000 0.890 1266 L HN 0.015 nan 8.230 nan 0.000 0.431 1267 R N -0.079 120.424 120.500 0.005 0.000 2.080 1267 R HA -0.228 4.111 4.340 -0.001 0.000 0.236 1267 R C 2.519 178.801 176.300 -0.029 0.000 1.137 1267 R CA 2.135 58.255 56.100 0.033 0.000 0.943 1267 R CB -0.524 29.817 30.300 0.068 0.000 0.846 1267 R HN 0.438 nan 8.270 nan 0.000 0.431 1268 K N -0.810 119.516 120.400 -0.123 0.000 2.074 1268 K HA -0.216 4.104 4.320 -0.001 0.000 0.209 1268 K C 1.354 177.762 176.600 -0.320 0.000 1.048 1268 K CA 1.961 58.071 56.287 -0.295 0.000 0.926 1268 K CB -0.095 32.099 32.500 -0.510 0.000 0.713 1268 K HN 0.414 nan 8.250 nan 0.000 0.444 1269 Y N -0.076 120.295 120.300 0.118 0.000 2.507 1269 Y HA 0.098 4.647 4.550 -0.001 0.000 0.263 1269 Y C 2.083 178.107 175.900 0.207 0.000 1.093 1269 Y CA 0.012 58.236 58.100 0.205 0.000 1.285 1269 Y CB 0.213 38.845 38.460 0.287 0.000 1.115 1269 Y HN 0.070 nan 8.280 nan 0.000 0.533 1270 R N 0.606 121.269 120.500 0.271 0.000 2.170 1270 R HA -0.172 4.168 4.340 -0.001 0.000 0.242 1270 R C 0.871 177.315 176.300 0.239 0.000 1.145 1270 R CA 1.853 58.112 56.100 0.265 0.000 0.984 1270 R CB -0.292 30.121 30.300 0.189 0.000 0.869 1270 R HN 0.189 nan 8.270 nan 0.000 0.455 1271 E N 0.513 120.761 120.200 0.081 0.000 2.415 1271 E HA 0.008 4.357 4.350 -0.001 0.000 0.197 1271 E C 1.283 177.748 176.600 -0.225 0.000 1.007 1271 E CA 0.554 56.834 56.400 -0.201 0.000 0.890 1271 E CB 0.324 29.932 29.700 -0.154 0.000 0.891 1271 E HN 0.475 nan 8.360 nan 0.000 0.496 1272 K N -0.664 119.770 120.400 0.056 0.000 2.244 1272 K HA 0.054 4.374 4.320 -0.001 0.000 0.200 1272 K C 0.049 176.608 176.600 -0.068 0.000 1.052 1272 K CA 0.464 56.710 56.287 -0.069 0.000 0.980 1272 K CB 0.486 32.804 32.500 -0.304 0.000 0.838 1272 K HN -0.065 nan 8.250 nan 0.000 0.481 1273 Y N -1.232 119.265 120.300 0.329 0.000 2.686 1273 Y HA 0.303 4.852 4.550 -0.001 0.000 0.330 1273 Y C -0.457 175.497 175.900 0.090 0.000 1.082 1273 Y CA -1.427 56.748 58.100 0.126 0.000 1.158 1273 Y CB 1.193 39.688 38.460 0.059 0.000 1.333 1273 Y HN -0.127 nan 8.280 nan 0.000 0.519 1274 C N 2.057 121.452 119.300 0.159 0.000 2.116 1274 C HA 0.651 5.110 4.460 -0.001 0.000 0.367 1274 C C -0.063 175.063 174.990 0.226 0.000 1.039 1274 C CA 0.128 59.212 59.018 0.111 0.000 1.465 1274 C CB -2.080 25.675 27.740 0.025 0.000 1.783 1274 C HN 0.718 nan 8.230 nan 0.000 0.470 1275 T N 4.142 118.890 114.554 0.323 0.000 2.864 1275 T HA 0.838 5.187 4.350 -0.001 0.000 0.299 1275 T C -1.042 173.930 174.700 0.453 0.000 1.166 1275 T CA -0.345 61.958 62.100 0.338 0.000 1.007 1275 T CB 1.420 70.479 68.868 0.318 0.000 1.219 1275 T HN 1.037 nan 8.240 nan 0.000 0.506 1276 F N 0.828 120.939 119.950 0.268 0.000 2.741 1276 F HA 0.644 5.170 4.527 -0.001 0.000 0.313 1276 F C -1.494 174.407 175.800 0.169 0.000 1.153 1276 F CA -1.173 56.956 58.000 0.216 0.000 0.931 1276 F CB 1.300 40.513 39.000 0.356 0.000 1.335 1276 F HN 0.509 nan 8.300 nan 0.000 0.460 1277 N N 1.701 120.502 118.700 0.169 0.000 2.407 1277 N HA 0.148 4.887 4.740 -0.001 0.000 0.277 1277 N C -0.295 175.310 175.510 0.158 0.000 0.995 1277 N CA -0.172 52.874 53.050 -0.005 0.000 0.903 1277 N CB 1.726 40.125 38.487 -0.147 0.000 1.218 1277 N HN 0.935 nan 8.380 nan 0.000 0.487 1278 D N 2.461 122.922 120.400 0.102 0.000 2.097 1278 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 1278 D C 0.684 177.072 176.300 0.147 0.000 0.989 1278 D CA 1.460 55.621 54.000 0.268 0.000 0.827 1278 D CB 0.332 41.190 40.800 0.097 0.000 0.966 1278 D HN 0.559 nan 8.370 nan 0.000 0.456 1279 D N -0.469 119.962 120.400 0.052 0.000 2.219 1279 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 1279 D C 2.138 178.410 176.300 -0.046 0.000 0.970 1279 D CA 0.534 54.543 54.000 0.015 0.000 0.851 1279 D CB 0.238 41.036 40.800 -0.003 0.000 0.943 1279 D HN 0.400 nan 8.370 nan 0.000 0.488 1280 I N 0.237 120.734 120.570 -0.122 0.000 2.522 1280 I HA -0.151 4.018 4.170 -0.001 0.000 0.240 1280 I C 2.320 178.330 176.117 -0.178 0.000 1.078 1280 I CA 0.518 61.693 61.300 -0.208 0.000 1.422 1280 I CB 0.003 37.767 38.000 -0.393 0.000 1.188 1280 I HN -0.200 nan 8.210 nan 0.000 0.442 1281 Q N 0.605 120.248 119.800 -0.261 0.000 2.163 1281 Q HA 0.004 4.343 4.340 -0.001 0.000 0.198 1281 Q C 2.229 177.969 176.000 -0.432 0.000 0.954 1281 Q CA 1.302 56.742 55.803 -0.605 0.000 0.851 1281 Q CB -0.278 27.687 28.738 -1.288 0.000 0.928 1281 Q HN 0.576 nan 8.270 nan 0.000 0.459 1282 G N 0.712 109.494 108.800 -0.030 0.000 2.433 1282 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 1282 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 1282 G C 1.416 176.428 174.900 0.187 0.000 1.186 1282 G CA 1.419 46.666 45.100 0.246 0.000 0.779 1282 G HN 0.283 nan 8.290 nan 0.000 0.543 1283 T N 1.866 116.502 114.554 0.137 0.000 2.803 1283 T HA -0.007 4.342 4.350 -0.001 0.000 0.269 1283 T C 2.736 177.510 174.700 0.123 0.000 1.052 1283 T CA 1.466 63.644 62.100 0.130 0.000 1.136 1283 T CB -0.363 68.566 68.868 0.101 0.000 0.864 1283 T HN 0.394 nan 8.240 nan 0.000 0.467 1284 A N 1.712 124.573 122.820 0.070 0.000 1.883 1284 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 1284 A C 2.700 180.362 177.584 0.130 0.000 1.186 1284 A CA 1.945 54.028 52.037 0.077 0.000 0.624 1284 A CB -1.219 17.777 19.000 -0.007 0.000 0.822 1284 A HN 0.542 nan 8.150 nan 0.000 0.444 1285 A N -0.456 122.457 122.820 0.155 0.000 1.898 1285 A HA 0.064 4.383 4.320 -0.001 0.000 0.216 1285 A C 2.232 179.926 177.584 0.183 0.000 1.181 1285 A CA 1.812 53.962 52.037 0.188 0.000 0.620 1285 A CB -1.019 18.135 19.000 0.257 0.000 0.819 1285 A HN 0.605 nan 8.150 nan 0.000 0.442 1286 V N -0.304 119.720 119.914 0.183 0.000 2.261 1286 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 1286 V C 2.933 179.202 176.094 0.292 0.000 1.047 1286 V CA 1.910 64.320 62.300 0.182 0.000 1.015 1286 V CB -1.780 30.094 31.823 0.085 0.000 0.642 1286 V HN 0.540 nan 8.190 nan 0.000 0.446 1287 A N 0.561 123.539 122.820 0.263 0.000 1.908 1287 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 1287 A C 2.218 179.992 177.584 0.316 0.000 1.181 1287 A CA 2.302 54.547 52.037 0.347 0.000 0.627 1287 A CB -0.695 18.494 19.000 0.314 0.000 0.818 1287 A HN 0.513 nan 8.150 nan 0.000 0.445 1288 L N -0.234 121.119 121.223 0.217 0.000 2.046 1288 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 1288 L C 2.633 179.581 176.870 0.129 0.000 1.077 1288 L CA 2.309 57.238 54.840 0.149 0.000 0.747 1288 L CB -0.912 41.219 42.059 0.120 0.000 0.896 1288 L HN 0.343 nan 8.230 nan 0.000 0.432 1289 A N -0.295 122.618 122.820 0.155 0.000 1.883 1289 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 1289 A C 2.367 179.947 177.584 -0.006 0.000 1.186 1289 A CA 1.797 53.896 52.037 0.103 0.000 0.624 1289 A CB -1.716 17.388 19.000 0.174 0.000 0.822 1289 A HN 0.552 nan 8.150 nan 0.000 0.444 1290 G N -0.694 108.104 108.800 -0.003 0.000 2.422 1290 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.218 1290 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.218 1290 G C 1.394 176.348 174.900 0.091 0.000 1.146 1290 G CA 1.158 46.094 45.100 -0.274 0.000 0.769 1290 G HN 0.348 nan 8.290 nan 0.000 0.547 1291 L N -0.067 121.257 121.223 0.169 0.000 2.056 1291 L HA 0.079 4.418 4.340 -0.001 0.000 0.207 1291 L C 2.701 179.564 176.870 -0.012 0.000 1.078 1291 L CA 0.869 55.724 54.840 0.024 0.000 0.749 1291 L CB -0.696 41.348 42.059 -0.025 0.000 0.901 1291 L HN 0.078 nan 8.230 nan 0.000 0.433 1292 L N -0.781 120.440 121.223 -0.004 0.000 2.083 1292 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 1292 L C 2.598 179.456 176.870 -0.020 0.000 1.083 1292 L CA 1.927 56.759 54.840 -0.013 0.000 0.752 1292 L CB -1.615 40.443 42.059 -0.002 0.000 0.899 1292 L HN 0.265 nan 8.230 nan 0.000 0.433 1293 A N -0.916 121.875 122.820 -0.049 0.000 1.898 1293 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 1293 A C 2.500 180.074 177.584 -0.018 0.000 1.181 1293 A CA 1.559 53.561 52.037 -0.058 0.000 0.620 1293 A CB -0.760 18.153 19.000 -0.145 0.000 0.819 1293 A HN 0.377 nan 8.150 nan 0.000 0.442 1294 A N -0.816 122.004 122.820 0.000 0.000 1.877 1294 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 1294 A C 2.118 179.720 177.584 0.029 0.000 1.186 1294 A CA 2.158 54.213 52.037 0.028 0.000 0.620 1294 A CB -0.615 18.402 19.000 0.029 0.000 0.822 1294 A HN 0.502 nan 8.150 nan 0.000 0.443 1295 Q N 0.264 120.080 119.800 0.026 0.000 2.308 1295 Q HA -0.183 4.156 4.340 -0.001 0.000 0.209 1295 Q C 1.812 177.838 176.000 0.043 0.000 0.985 1295 Q CA 1.950 57.785 55.803 0.053 0.000 0.881 1295 Q CB -0.304 28.463 28.738 0.047 0.000 0.917 1295 Q HN 0.667 nan 8.270 nan 0.000 0.443 1296 K N -0.672 119.745 120.400 0.027 0.000 2.097 1296 K HA -0.094 4.226 4.320 -0.001 0.000 0.205 1296 K C 2.004 178.621 176.600 0.028 0.000 1.050 1296 K CA 1.562 57.863 56.287 0.024 0.000 0.938 1296 K CB -0.318 32.190 32.500 0.015 0.000 0.718 1296 K HN 0.380 nan 8.250 nan 0.000 0.442 1297 V N -1.271 118.663 119.914 0.033 0.000 2.535 1297 V HA -0.047 4.072 4.120 -0.001 0.000 0.246 1297 V C 1.974 178.089 176.094 0.035 0.000 1.045 1297 V CA 0.879 63.201 62.300 0.038 0.000 1.058 1297 V CB -0.375 31.479 31.823 0.051 0.000 0.689 1297 V HN 0.108 nan 8.190 nan 0.000 0.461 1298 I N 0.507 121.099 120.570 0.036 0.000 2.333 1298 I HA -0.025 4.145 4.170 -0.001 0.000 0.246 1298 I C 1.888 178.018 176.117 0.022 0.000 1.106 1298 I CA 1.107 62.424 61.300 0.028 0.000 1.411 1298 I CB -0.355 37.664 38.000 0.032 0.000 1.082 1298 I HN 0.439 nan 8.210 nan 0.000 0.420 1299 S N 0.757 116.479 115.700 0.036 0.000 3.561 1299 S HA -0.154 4.315 4.470 -0.001 0.000 0.318 1299 S C 0.489 175.094 174.600 0.008 0.000 1.181 1299 S CA 0.575 58.793 58.200 0.030 0.000 0.916 1299 S CB -1.304 61.907 63.200 0.018 0.000 0.966 1299 S HN 0.332 nan 8.310 nan 0.000 0.550 1300 K N 1.386 121.782 120.400 -0.007 0.000 2.489 1300 K HA 0.101 4.420 4.320 -0.001 0.000 0.278 1300 K C -2.565 173.921 176.600 -0.191 0.000 1.000 1300 K CA -1.209 54.999 56.287 -0.130 0.000 1.012 1300 K CB 0.166 32.526 32.500 -0.232 0.000 0.903 1300 K HN 0.091 nan 8.250 nan 0.000 0.485 1301 P HA -0.012 nan 4.420 nan 0.000 0.266 1301 P C 0.826 178.008 177.300 -0.197 0.000 1.215 1301 P CA -0.106 62.920 63.100 -0.123 0.000 0.763 1301 P CB 0.354 32.003 31.700 -0.085 0.000 0.806 1302 I N 4.224 124.803 120.570 0.015 0.000 2.290 1302 I HA -0.362 3.807 4.170 -0.001 0.000 0.253 1302 I C 1.942 178.147 176.117 0.147 0.000 1.112 1302 I CA 2.441 63.889 61.300 0.248 0.000 1.377 1302 I CB -0.542 37.583 38.000 0.209 0.000 1.060 1302 I HN 0.382 nan 8.210 nan 0.000 0.428 1303 S N 0.638 116.356 115.700 0.030 0.000 2.399 1303 S HA -0.200 4.269 4.470 -0.001 0.000 0.231 1303 S C 1.602 176.202 174.600 -0.001 0.000 1.022 1303 S CA 1.231 59.446 58.200 0.026 0.000 0.983 1303 S CB -0.813 62.392 63.200 0.008 0.000 0.803 1303 S HN 0.779 nan 8.310 nan 0.000 0.480 1304 E N 0.050 120.196 120.200 -0.090 0.000 2.463 1304 E HA 0.126 4.476 4.350 -0.001 0.000 0.193 1304 E C -0.505 176.035 176.600 -0.100 0.000 1.041 1304 E CA -0.358 55.984 56.400 -0.096 0.000 0.879 1304 E CB -0.417 29.209 29.700 -0.124 0.000 0.997 1304 E HN 0.685 nan 8.360 nan 0.000 0.478 1305 H N 2.015 121.096 119.070 0.019 0.000 2.886 1305 H HA 0.174 4.729 4.556 -0.001 0.000 0.329 1305 H C -0.423 174.928 175.328 0.039 0.000 1.044 1305 H CA 0.451 56.508 56.048 0.016 0.000 1.456 1305 H CB 0.647 30.423 29.762 0.024 0.000 1.464 1305 H HN -0.081 nan 8.280 nan 0.000 0.573 1306 K N 3.929 124.414 120.400 0.143 0.000 2.705 1306 K HA 0.298 4.617 4.320 -0.001 0.000 0.238 1306 K C -1.674 174.975 176.600 0.081 0.000 0.996 1306 K CA -0.358 56.001 56.287 0.119 0.000 1.007 1306 K CB 0.346 32.876 32.500 0.050 0.000 1.206 1306 K HN 0.410 nan 8.250 nan 0.000 0.488 1307 I N 4.248 124.895 120.570 0.128 0.000 2.353 1307 I HA 0.364 4.533 4.170 -0.001 0.000 0.293 1307 I C -0.749 175.460 176.117 0.154 0.000 0.992 1307 I CA -0.857 60.469 61.300 0.043 0.000 1.268 1307 I CB 1.224 39.213 38.000 -0.019 0.000 1.387 1307 I HN 0.415 nan 8.210 nan 0.000 0.478 1308 L N 7.148 128.407 121.223 0.060 0.000 2.376 1308 L HA 0.635 4.974 4.340 -0.001 0.000 0.275 1308 L C -1.443 175.567 176.870 0.233 0.000 0.987 1308 L CA -0.010 54.976 54.840 0.244 0.000 0.828 1308 L CB 0.811 42.957 42.059 0.145 0.000 1.249 1308 L HN 0.315 nan 8.230 nan 0.000 0.409 1309 F N 4.617 124.761 119.950 0.323 0.000 2.377 1309 F HA 0.553 5.079 4.527 -0.001 0.000 0.328 1309 F C -0.143 175.836 175.800 0.299 0.000 1.094 1309 F CA -0.396 57.764 58.000 0.266 0.000 1.093 1309 F CB 1.716 40.816 39.000 0.166 0.000 1.214 1309 F HN 0.419 nan 8.300 nan 0.000 0.518 1310 L N 2.867 124.280 121.223 0.316 0.000 2.337 1310 L HA 0.781 5.120 4.340 -0.001 0.000 0.269 1310 L C -0.307 176.623 176.870 0.100 0.000 1.018 1310 L CA 0.128 54.972 54.840 0.008 0.000 0.876 1310 L CB 0.420 42.195 42.059 -0.474 0.000 1.236 1310 L HN 0.697 nan 8.230 nan 0.000 0.436 1311 G N 3.308 112.217 108.800 0.181 0.000 2.465 1311 G HA2 0.433 4.392 3.960 -0.001 0.000 0.681 1311 G HA3 0.433 4.392 3.960 -0.001 0.000 0.681 1311 G C -0.615 174.354 174.900 0.115 0.000 1.340 1311 G CA -0.294 44.873 45.100 0.112 0.000 0.884 1311 G HN 1.170 nan 8.290 nan 0.000 0.650 1312 A N 0.114 122.965 122.820 0.052 0.000 2.568 1312 A HA 0.802 5.121 4.320 -0.001 0.000 0.287 1312 A C 1.087 178.675 177.584 0.007 0.000 0.967 1312 A CA 1.188 53.230 52.037 0.008 0.000 1.004 1312 A CB -0.062 18.960 19.000 0.037 0.000 1.233 1312 A HN 2.169 nan 8.150 nan 0.000 0.513 1313 G N -0.496 108.322 108.800 0.029 0.000 2.695 1313 G HA2 0.393 4.352 3.960 -0.001 0.000 0.213 1313 G HA3 0.393 4.352 3.960 -0.001 0.000 0.213 1313 G C 0.620 175.599 174.900 0.130 0.000 1.406 1313 G CA 0.249 45.399 45.100 0.083 0.000 1.049 1313 G HN 0.308 nan 8.290 nan 0.000 0.573 1314 E N -0.195 120.091 120.200 0.143 0.000 2.068 1314 E HA -0.287 4.062 4.350 -0.001 0.000 0.207 1314 E C 2.727 179.316 176.600 -0.019 0.000 1.032 1314 E CA 1.539 57.947 56.400 0.014 0.000 0.839 1314 E CB -0.307 29.320 29.700 -0.121 0.000 0.758 1314 E HN 0.371 nan 8.360 nan 0.000 0.457 1315 A N 1.406 124.226 122.820 0.001 0.000 1.898 1315 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 1315 A C 2.444 180.033 177.584 0.008 0.000 1.181 1315 A CA 1.583 53.632 52.037 0.019 0.000 0.620 1315 A CB -0.684 18.351 19.000 0.058 0.000 0.819 1315 A HN 0.296 nan 8.150 nan 0.000 0.442 1316 A N -0.205 122.591 122.820 -0.041 0.000 1.883 1316 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 1316 A C 2.163 179.435 177.584 -0.521 0.000 1.186 1316 A CA 1.647 53.492 52.037 -0.319 0.000 0.624 1316 A CB -0.641 18.182 19.000 -0.295 0.000 0.822 1316 A HN 0.466 nan 8.150 nan 0.000 0.444 1317 L N -0.912 120.174 121.223 -0.227 0.000 2.156 1317 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 1317 L C 2.763 179.602 176.870 -0.051 0.000 1.095 1317 L CA 0.793 55.550 54.840 -0.139 0.000 0.770 1317 L CB -0.542 41.560 42.059 0.072 0.000 0.914 1317 L HN 0.497 nan 8.230 nan 0.000 0.439 1318 G N 0.314 109.103 108.800 -0.018 0.000 2.402 1318 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 1318 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 1318 G C 1.561 176.460 174.900 -0.001 0.000 1.162 1318 G CA 0.570 45.662 45.100 -0.013 0.000 0.777 1318 G HN 0.263 nan 8.290 nan 0.000 0.539 1319 I N 1.440 122.019 120.570 0.014 0.000 2.163 1319 I HA -0.104 4.065 4.170 -0.001 0.000 0.240 1319 I C 3.325 179.495 176.117 0.089 0.000 1.081 1319 I CA 0.922 62.292 61.300 0.117 0.000 1.353 1319 I CB -0.386 37.794 38.000 0.300 0.000 1.054 1319 I HN 0.213 nan 8.210 nan 0.000 0.407 1320 A N 1.031 123.795 122.820 -0.093 0.000 1.903 1320 A HA -0.286 4.033 4.320 -0.001 0.000 0.219 1320 A C 2.170 179.708 177.584 -0.076 0.000 1.191 1320 A CA 2.281 54.169 52.037 -0.247 0.000 0.638 1320 A CB -0.974 17.429 19.000 -0.995 0.000 0.823 1320 A HN 0.493 nan 8.150 nan 0.000 0.451 1321 N N -0.863 117.838 118.700 0.002 0.000 2.188 1321 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 1321 N C 1.598 177.191 175.510 0.139 0.000 1.018 1321 N CA 1.447 54.595 53.050 0.164 0.000 0.858 1321 N CB -0.166 38.425 38.487 0.174 0.000 0.989 1321 N HN 0.383 nan 8.380 nan 0.000 0.426 1322 L N 1.241 122.525 121.223 0.103 0.000 2.179 1322 L HA 0.112 4.451 4.340 -0.001 0.000 0.208 1322 L C 2.061 178.994 176.870 0.105 0.000 1.096 1322 L CA 0.661 55.564 54.840 0.105 0.000 0.779 1322 L CB -0.258 41.860 42.059 0.098 0.000 0.922 1322 L HN 0.091 nan 8.230 nan 0.000 0.443 1323 I N -1.354 119.281 120.570 0.107 0.000 2.127 1323 I HA -0.259 3.910 4.170 -0.001 0.000 0.241 1323 I C 1.194 177.372 176.117 0.102 0.000 1.075 1323 I CA 0.530 61.887 61.300 0.096 0.000 1.334 1323 I CB -0.117 37.951 38.000 0.114 0.000 1.040 1323 I HN -0.095 nan 8.210 nan 0.000 0.405 1329 E N 0.914 121.149 120.200 0.058 0.000 2.150 1329 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 1329 E C 1.230 177.859 176.600 0.048 0.000 0.985 1329 E CA 1.195 57.627 56.400 0.054 0.000 0.814 1329 E CB 0.076 29.809 29.700 0.056 0.000 0.752 1329 E HN 0.517 nan 8.360 nan 0.000 0.466 1330 N N -0.770 117.959 118.700 0.048 0.000 2.362 1330 N HA 0.029 4.769 4.740 -0.001 0.000 0.204 1330 N C 0.527 176.066 175.510 0.048 0.000 1.166 1330 N CA 0.810 53.888 53.050 0.047 0.000 0.831 1330 N CB 1.277 39.793 38.487 0.048 0.000 1.008 1330 N HN 0.344 nan 8.380 nan 0.000 0.472 1331 G N -0.182 108.646 108.800 0.046 0.000 2.981 1331 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.199 1331 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.199 1331 G C -0.005 174.922 174.900 0.044 0.000 1.586 1331 G CA -0.383 44.743 45.100 0.043 0.000 1.162 1331 G HN 0.183 nan 8.290 nan 0.000 0.538 1332 L N 2.383 123.637 121.223 0.052 0.000 2.424 1332 L HA 0.444 4.784 4.340 -0.001 0.000 0.274 1332 L C 1.433 178.331 176.870 0.048 0.000 1.284 1332 L CA 1.227 56.099 54.840 0.053 0.000 0.819 1332 L CB -0.098 42.001 42.059 0.066 0.000 1.081 1332 L HN 0.902 nan 8.230 nan 0.000 0.577 1333 S N -2.230 113.497 115.700 0.045 0.000 2.607 1333 S HA 0.370 4.839 4.470 -0.001 0.000 0.303 1333 S C 0.644 175.270 174.600 0.043 0.000 1.086 1333 S CA -0.422 57.801 58.200 0.038 0.000 0.995 1333 S CB 1.486 64.702 63.200 0.026 0.000 1.084 1333 S HN 0.652 nan 8.310 nan 0.000 0.507 1334 E N 0.603 120.826 120.200 0.038 0.000 2.130 1334 E HA -0.319 4.030 4.350 -0.001 0.000 0.196 1334 E C 1.814 178.428 176.600 0.023 0.000 0.998 1334 E CA 1.772 58.195 56.400 0.040 0.000 0.806 1334 E CB -0.190 29.524 29.700 0.025 0.000 0.738 1334 E HN 0.743 nan 8.360 nan 0.000 0.459 1335 Q N 0.712 120.516 119.800 0.007 0.000 1.993 1335 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 1335 Q C 1.951 177.955 176.000 0.008 0.000 0.984 1335 Q CA 2.509 58.307 55.803 -0.008 0.000 0.837 1335 Q CB -0.100 28.630 28.738 -0.013 0.000 0.902 1335 Q HN 0.551 nan 8.270 nan 0.000 0.423 1336 E N -0.585 119.627 120.200 0.021 0.000 2.150 1336 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 1336 E C 1.848 178.486 176.600 0.063 0.000 0.985 1336 E CA 0.992 57.410 56.400 0.030 0.000 0.814 1336 E CB -0.376 29.343 29.700 0.033 0.000 0.752 1336 E HN 0.376 nan 8.360 nan 0.000 0.466 1337 A N 1.829 124.700 122.820 0.085 0.000 1.858 1337 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 1337 A C 2.240 179.942 177.584 0.196 0.000 1.190 1337 A CA 1.739 53.856 52.037 0.133 0.000 0.617 1337 A CB -0.669 18.410 19.000 0.133 0.000 0.827 1337 A HN 0.292 nan 8.150 nan 0.000 0.443 1338 Q N -0.144 119.773 119.800 0.195 0.000 2.248 1338 Q HA -0.191 4.148 4.340 -0.001 0.000 0.208 1338 Q C 1.796 177.984 176.000 0.314 0.000 0.984 1338 Q CA 1.527 57.507 55.803 0.296 0.000 0.875 1338 Q CB -0.232 28.472 28.738 -0.056 0.000 0.910 1338 Q HN 0.632 nan 8.270 nan 0.000 0.433 1339 K N 0.459 120.909 120.400 0.083 0.000 2.288 1339 K HA -0.054 4.265 4.320 -0.001 0.000 0.201 1339 K C 1.571 178.150 176.600 -0.035 0.000 1.048 1339 K CA 0.604 56.754 56.287 -0.228 0.000 0.956 1339 K CB 0.094 32.485 32.500 -0.182 0.000 0.746 1339 K HN 0.092 nan 8.250 nan 0.000 0.461 1340 K N 0.759 121.261 120.400 0.170 0.000 2.432 1340 K HA 0.097 4.416 4.320 -0.001 0.000 0.196 1340 K C 0.960 177.802 176.600 0.405 0.000 1.038 1340 K CA 0.492 56.939 56.287 0.265 0.000 0.986 1340 K CB 0.149 32.781 32.500 0.220 0.000 0.782 1340 K HN 0.203 nan 8.250 nan 0.000 0.485 1341 I N 0.219 121.065 120.570 0.461 0.000 2.412 1341 I HA 0.248 4.417 4.170 -0.001 0.000 0.296 1341 I C -0.557 175.911 176.117 0.585 0.000 0.987 1341 I CA -0.841 60.780 61.300 0.536 0.000 1.180 1341 I CB 0.950 39.199 38.000 0.415 0.000 1.340 1341 I HN -0.113 nan 8.210 nan 0.000 0.455 1345 D N 4.374 124.801 120.400 0.044 0.000 2.616 1345 D HA 0.260 4.899 4.640 -0.001 0.000 0.260 1345 D C 0.601 176.827 176.300 -0.123 0.000 1.158 1345 D CA -0.644 53.365 54.000 0.016 0.000 1.085 1345 D CB 0.473 41.249 40.800 -0.039 0.000 1.222 1345 D HN 0.308 nan 8.370 nan 0.000 0.626 1346 K N -0.302 119.949 120.400 -0.249 0.000 2.589 1346 K HA -0.161 4.158 4.320 -0.001 0.000 0.195 1346 K C 0.391 176.737 176.600 -0.424 0.000 1.040 1346 K CA 1.254 57.336 56.287 -0.340 0.000 0.950 1346 K CB -0.825 31.391 32.500 -0.473 0.000 0.781 1346 K HN 0.725 nan 8.250 nan 0.000 0.486 1347 Y N -0.449 119.789 120.300 -0.104 0.000 2.483 1347 Y HA 0.246 4.795 4.550 -0.001 0.000 0.258 1347 Y C 1.357 177.103 175.900 -0.257 0.000 1.083 1347 Y CA -0.250 57.777 58.100 -0.123 0.000 1.283 1347 Y CB 1.309 39.718 38.460 -0.084 0.000 1.178 1347 Y HN 0.343 nan 8.280 nan 0.000 0.515 1348 G N 0.588 109.118 108.800 -0.450 0.000 2.302 1348 G HA2 0.011 3.970 3.960 -0.001 0.000 0.276 1348 G HA3 0.011 3.970 3.960 -0.001 0.000 0.276 1348 G C -2.018 172.432 174.900 -0.750 0.000 1.316 1348 G CA -1.052 43.494 45.100 -0.923 0.000 0.988 1348 G HN -0.014 nan 8.290 nan 0.000 0.479 1349 L N 1.014 122.031 121.223 -0.343 0.000 2.462 1349 L HA 0.475 4.815 4.340 -0.001 0.000 0.272 1349 L C 0.870 177.820 176.870 0.133 0.000 1.166 1349 L CA -0.351 54.562 54.840 0.121 0.000 0.880 1349 L CB 0.286 42.550 42.059 0.343 0.000 1.142 1349 L HN 0.489 nan 8.230 nan 0.000 0.473 1350 L N 7.329 128.660 121.223 0.181 0.000 2.617 1350 L HA 0.141 4.480 4.340 -0.001 0.000 0.282 1350 L C -0.303 176.615 176.870 0.079 0.000 1.174 1350 L CA -0.077 54.823 54.840 0.100 0.000 1.016 1350 L CB -0.337 41.768 42.059 0.077 0.000 1.337 1350 L HN 0.595 nan 8.230 nan 0.000 0.460 1351 V N 0.832 120.792 119.914 0.076 0.000 2.715 1351 V HA 0.450 4.569 4.120 -0.001 0.000 0.310 1351 V C 0.152 176.254 176.094 0.014 0.000 1.054 1351 V CA -1.425 60.916 62.300 0.069 0.000 0.928 1351 V CB 1.902 33.809 31.823 0.141 0.000 1.007 1351 V HN 0.482 nan 8.190 nan 0.000 0.437 1352 K N 2.153 122.550 120.400 -0.005 0.000 2.451 1352 K HA 0.437 4.756 4.320 -0.001 0.000 0.280 1352 K C 1.212 177.810 176.600 -0.003 0.000 1.020 1352 K CA 0.886 57.161 56.287 -0.019 0.000 1.008 1352 K CB 0.553 33.039 32.500 -0.024 0.000 0.917 1352 K HN 1.527 nan 8.250 nan 0.000 0.478 1353 G N 2.290 111.082 108.800 -0.014 0.000 2.176 1353 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.253 1353 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.253 1353 G C 0.104 174.998 174.900 -0.010 0.000 0.979 1353 G CA 0.375 45.468 45.100 -0.011 0.000 0.641 1353 G HN 0.738 nan 8.290 nan 0.000 0.530 1354 R N 0.051 120.547 120.500 -0.007 0.000 2.811 1354 R HA 0.475 4.814 4.340 -0.001 0.000 0.265 1354 R C 1.392 177.671 176.300 -0.034 0.000 1.026 1354 R CA 0.242 56.336 56.100 -0.010 0.000 1.142 1354 R CB 0.603 30.903 30.300 -0.001 0.000 1.027 1354 R HN -0.033 nan 8.270 nan 0.000 0.465 1355 K N 1.638 122.011 120.400 -0.046 0.000 1.969 1355 K HA -0.073 4.246 4.320 -0.001 0.000 0.216 1355 K C 0.937 177.469 176.600 -0.113 0.000 1.048 1355 K CA 1.753 57.995 56.287 -0.075 0.000 0.948 1355 K CB -1.003 31.447 32.500 -0.083 0.000 0.726 1355 K HN 0.813 nan 8.250 nan 0.000 0.442 1356 A N 3.080 125.799 122.820 -0.168 0.000 2.583 1356 A HA -0.048 4.271 4.320 -0.001 0.000 0.231 1356 A C 0.084 177.598 177.584 -0.116 0.000 1.065 1356 A CA 0.163 52.053 52.037 -0.245 0.000 0.760 1356 A CB -0.130 18.660 19.000 -0.350 0.000 1.001 1356 A HN 0.265 nan 8.150 nan 0.000 0.509 1357 K N 0.862 121.200 120.400 -0.102 0.000 2.319 1357 K HA 0.307 4.626 4.320 -0.001 0.000 0.265 1357 K C -0.778 175.815 176.600 -0.011 0.000 1.000 1357 K CA -0.134 56.124 56.287 -0.047 0.000 0.943 1357 K CB 0.434 32.912 32.500 -0.037 0.000 0.950 1357 K HN 0.388 nan 8.250 nan 0.000 0.485 1358 I N 2.981 123.537 120.570 -0.023 0.000 2.468 1358 I HA 0.041 4.210 4.170 -0.001 0.000 0.284 1358 I C -0.266 175.829 176.117 -0.037 0.000 1.038 1358 I CA -1.241 60.046 61.300 -0.022 0.000 1.083 1358 I CB 1.018 38.995 38.000 -0.038 0.000 1.223 1358 I HN 0.740 nan 8.210 nan 0.000 0.443 1359 D N 3.450 123.833 120.400 -0.028 0.000 2.383 1359 D HA 0.103 4.742 4.640 -0.001 0.000 0.248 1359 D C 1.341 177.582 176.300 -0.099 0.000 1.170 1359 D CA -0.244 53.728 54.000 -0.046 0.000 0.977 1359 D CB 0.847 41.642 40.800 -0.009 0.000 1.120 1359 D HN 0.364 nan 8.370 nan 0.000 0.481 1360 S N 0.191 115.789 115.700 -0.171 0.000 2.399 1360 S HA -0.341 4.128 4.470 -0.001 0.000 0.235 1360 S C 1.746 176.117 174.600 -0.381 0.000 1.063 1360 S CA 1.424 59.432 58.200 -0.319 0.000 1.070 1360 S CB -0.849 62.063 63.200 -0.479 0.000 0.904 1360 S HN 0.589 nan 8.310 nan 0.000 0.456 1361 Y N 1.683 121.856 120.300 -0.211 0.000 2.263 1361 Y HA 0.031 4.580 4.550 -0.001 0.000 0.292 1361 Y C 2.877 178.724 175.900 -0.088 0.000 1.130 1361 Y CA 1.295 59.274 58.100 -0.203 0.000 1.179 1361 Y CB -0.381 37.814 38.460 -0.441 0.000 0.998 1361 Y HN 0.413 nan 8.280 nan 0.000 0.532 1362 Q N 0.238 120.067 119.800 0.048 0.000 2.224 1362 Q HA -0.197 4.142 4.340 -0.001 0.000 0.203 1362 Q C 1.966 177.946 176.000 -0.034 0.000 0.970 1362 Q CA 1.035 56.874 55.803 0.060 0.000 0.865 1362 Q CB -0.273 28.475 28.738 0.016 0.000 0.922 1362 Q HN 0.506 nan 8.270 nan 0.000 0.445 1363 E N 1.657 121.789 120.200 -0.113 0.000 2.119 1363 E HA -0.232 4.118 4.350 -0.001 0.000 0.221 1363 E C -0.853 175.572 176.600 -0.292 0.000 1.062 1363 E CA 2.191 58.481 56.400 -0.183 0.000 0.894 1363 E CB -0.989 28.600 29.700 -0.185 0.000 0.785 1363 E HN 0.280 nan 8.360 nan 0.000 0.472 1364 P HA -0.076 nan 4.420 nan 0.000 0.228 1364 P C 0.499 177.213 177.300 -0.976 0.000 1.151 1364 P CA 1.157 63.843 63.100 -0.691 0.000 0.770 1364 P CB -0.297 30.889 31.700 -0.857 0.000 0.786 1365 F N -2.403 117.351 119.950 -0.326 0.000 2.688 1365 F HA 0.215 4.741 4.527 -0.001 0.000 0.310 1365 F C 0.515 175.818 175.800 -0.829 0.000 1.098 1365 F CA -0.168 57.505 58.000 -0.545 0.000 1.228 1365 F CB -0.016 38.854 39.000 -0.217 0.000 1.042 1365 F HN -0.367 nan 8.300 nan 0.000 0.557 1366 T N 1.808 116.017 114.554 -0.575 0.000 2.781 1366 T HA 0.300 4.649 4.350 -0.001 0.000 0.305 1366 T C -0.241 174.150 174.700 -0.515 0.000 1.001 1366 T CA -0.286 61.566 62.100 -0.412 0.000 0.950 1366 T CB 0.235 68.985 68.868 -0.196 0.000 0.955 1366 T HN 0.088 nan 8.240 nan 0.000 0.471 1367 H N 0.734 119.612 119.070 -0.320 0.000 2.630 1367 H HA 0.434 4.990 4.556 -0.001 0.000 0.343 1367 H C 0.240 175.457 175.328 -0.186 0.000 1.232 1367 H CA -1.139 54.698 56.048 -0.350 0.000 1.294 1367 H CB 0.905 30.259 29.762 -0.679 0.000 1.746 1367 H HN 0.412 nan 8.280 nan 0.000 0.593 1368 S N 0.809 116.536 115.700 0.044 0.000 2.481 1368 S HA 0.250 4.719 4.470 -0.001 0.000 0.282 1368 S C 0.672 175.370 174.600 0.163 0.000 1.243 1368 S CA -0.516 57.729 58.200 0.075 0.000 1.078 1368 S CB -0.038 63.200 63.200 0.064 0.000 0.916 1368 S HN 0.744 nan 8.310 nan 0.000 0.495 1369 A N 5.678 128.594 122.820 0.160 0.000 2.642 1369 A HA 0.175 4.494 4.320 -0.001 0.000 0.228 1369 A C -1.518 176.209 177.584 0.238 0.000 1.045 1369 A CA -0.373 51.795 52.037 0.217 0.000 0.760 1369 A CB -0.601 18.482 19.000 0.138 0.000 0.958 1369 A HN 0.579 nan 8.150 nan 0.000 0.505 1370 P HA 0.334 nan 4.420 nan 0.000 0.282 1370 P C 0.099 177.458 177.300 0.098 0.000 1.259 1370 P CA -0.417 62.787 63.100 0.173 0.000 0.826 1370 P CB 0.789 32.548 31.700 0.098 0.000 1.064 1371 E N 0.212 120.452 120.200 0.067 0.000 2.197 1371 E HA -0.166 4.183 4.350 -0.001 0.000 0.205 1371 E C 0.314 176.937 176.600 0.039 0.000 1.029 1371 E CA 1.753 58.180 56.400 0.045 0.000 0.828 1371 E CB -0.771 28.945 29.700 0.027 0.000 0.737 1371 E HN 0.501 nan 8.360 nan 0.000 0.464 1372 S N 0.065 115.786 115.700 0.034 0.000 2.532 1372 S HA 0.523 4.992 4.470 -0.001 0.000 0.299 1372 S C -0.443 174.186 174.600 0.048 0.000 1.105 1372 S CA -1.013 57.206 58.200 0.032 0.000 1.018 1372 S CB 1.780 64.989 63.200 0.013 0.000 1.021 1372 S HN -0.084 nan 8.310 nan 0.000 0.483 1373 I N 3.423 124.029 120.570 0.061 0.000 2.371 1373 I HA 0.376 4.545 4.170 -0.001 0.000 0.290 1373 I C -2.251 173.919 176.117 0.088 0.000 1.028 1373 I CA -3.016 58.335 61.300 0.085 0.000 1.345 1373 I CB -0.006 38.044 38.000 0.083 0.000 1.407 1373 I HN 0.411 nan 8.210 nan 0.000 0.501 1374 P HA 0.198 nan 4.420 nan 0.000 0.282 1374 P C 0.217 177.643 177.300 0.209 0.000 1.262 1374 P CA -0.172 63.012 63.100 0.140 0.000 0.773 1374 P CB 1.005 32.799 31.700 0.158 0.000 0.879 1375 D N 1.811 122.311 120.400 0.167 0.000 2.162 1375 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 1375 D C 0.437 176.907 176.300 0.283 0.000 0.964 1375 D CA 1.169 55.279 54.000 0.184 0.000 0.847 1375 D CB 0.306 41.176 40.800 0.117 0.000 0.988 1375 D HN 0.450 nan 8.370 nan 0.000 0.480 1376 T N -3.835 110.861 114.554 0.238 0.000 2.926 1376 T HA 0.242 4.591 4.350 -0.001 0.000 0.289 1376 T C 0.623 175.353 174.700 0.050 0.000 1.054 1376 T CA -0.811 61.423 62.100 0.223 0.000 1.015 1376 T CB 0.740 69.680 68.868 0.119 0.000 1.167 1376 T HN -0.059 nan 8.240 nan 0.000 0.526 1377 F N 0.436 120.180 119.950 -0.343 0.000 2.365 1377 F HA 0.090 4.616 4.527 -0.001 0.000 0.300 1377 F C 2.276 177.915 175.800 -0.269 0.000 1.090 1377 F CA 1.341 58.969 58.000 -0.619 0.000 1.408 1377 F CB -0.209 38.444 39.000 -0.577 0.000 1.060 1377 F HN 0.848 nan 8.300 nan 0.000 0.534 1378 E N 0.023 120.125 120.200 -0.164 0.000 2.028 1378 E HA -0.198 4.151 4.350 -0.001 0.000 0.190 1378 E C 1.741 178.212 176.600 -0.216 0.000 0.984 1378 E CA 1.444 57.732 56.400 -0.187 0.000 0.800 1378 E CB -0.105 29.556 29.700 -0.065 0.000 0.758 1378 E HN 0.326 nan 8.360 nan 0.000 0.448 1379 D N 0.589 120.915 120.400 -0.124 0.000 2.123 1379 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 1379 D C 1.794 178.006 176.300 -0.147 0.000 0.992 1379 D CA 1.295 55.241 54.000 -0.091 0.000 0.833 1379 D CB -0.443 40.352 40.800 -0.008 0.000 0.954 1379 D HN 0.253 nan 8.370 nan 0.000 0.455 1380 A N 0.793 123.493 122.820 -0.200 0.000 1.865 1380 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 1380 A C 2.578 179.930 177.584 -0.386 0.000 1.191 1380 A CA 1.840 53.729 52.037 -0.246 0.000 0.623 1380 A CB -0.908 17.897 19.000 -0.324 0.000 0.826 1380 A HN 0.166 nan 8.150 nan 0.000 0.444 1381 V N 1.058 120.640 119.914 -0.553 0.000 2.287 1381 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 1381 V C 2.312 178.225 176.094 -0.301 0.000 1.053 1381 V CA 2.155 64.168 62.300 -0.478 0.000 1.027 1381 V CB -1.106 30.418 31.823 -0.498 0.000 0.646 1381 V HN 0.560 nan 8.190 nan 0.000 0.447 1382 N N 0.151 118.707 118.700 -0.241 0.000 2.084 1382 N HA -0.115 4.624 4.740 -0.001 0.000 0.190 1382 N C 1.723 177.137 175.510 -0.159 0.000 1.030 1382 N CA 1.635 54.584 53.050 -0.169 0.000 0.849 1382 N CB -0.350 38.061 38.487 -0.127 0.000 1.012 1382 N HN 0.414 nan 8.380 nan 0.000 0.423 1383 I N 0.444 120.913 120.570 -0.169 0.000 2.162 1383 I HA -0.176 3.993 4.170 -0.001 0.000 0.238 1383 I C 1.742 177.725 176.117 -0.223 0.000 1.076 1383 I CA 0.750 61.953 61.300 -0.162 0.000 1.353 1383 I CB -0.173 37.744 38.000 -0.138 0.000 1.063 1383 I HN 0.004 nan 8.210 nan 0.000 0.408 1384 L N 0.358 121.391 121.223 -0.317 0.000 2.240 1384 L HA -0.012 4.327 4.340 -0.001 0.000 0.211 1384 L C 0.642 177.339 176.870 -0.288 0.000 1.106 1384 L CA 0.695 55.283 54.840 -0.420 0.000 0.793 1384 L CB -1.119 40.565 42.059 -0.625 0.000 0.927 1384 L HN 0.220 nan 8.230 nan 0.000 0.446 1385 K N 0.313 120.568 120.400 -0.242 0.000 4.418 1385 K HA -0.167 4.152 4.320 -0.001 0.000 0.285 1385 K C -2.249 174.251 176.600 -0.168 0.000 0.874 1385 K CA -0.039 56.136 56.287 -0.188 0.000 0.844 1385 K CB -1.379 31.036 32.500 -0.143 0.000 1.691 1385 K HN 0.274 nan 8.250 nan 0.000 0.433 1386 P HA 0.066 nan 4.420 nan 0.000 0.279 1386 P C 0.472 177.705 177.300 -0.112 0.000 1.252 1386 P CA -0.463 62.560 63.100 -0.129 0.000 0.811 1386 P CB 1.442 33.064 31.700 -0.129 0.000 1.035 1387 S N -0.440 115.214 115.700 -0.076 0.000 2.458 1387 S HA 0.082 4.551 4.470 -0.001 0.000 0.223 1387 S C 0.744 175.286 174.600 -0.098 0.000 1.019 1387 S CA 0.554 58.710 58.200 -0.072 0.000 0.937 1387 S CB -0.502 62.677 63.200 -0.036 0.000 0.788 1387 S HN 0.512 nan 8.310 nan 0.000 0.511 1388 T N 1.590 116.075 114.554 -0.115 0.000 2.907 1388 T HA 0.734 5.083 4.350 -0.001 0.000 0.292 1388 T C -1.448 173.134 174.700 -0.198 0.000 1.043 1388 T CA -0.445 61.541 62.100 -0.190 0.000 1.003 1388 T CB 1.956 70.681 68.868 -0.238 0.000 1.084 1388 T HN 0.176 nan 8.240 nan 0.000 0.483 1389 I N 2.005 122.439 120.570 -0.228 0.000 2.619 1389 I HA 0.594 4.763 4.170 -0.001 0.000 0.292 1389 I C -1.524 174.550 176.117 -0.071 0.000 1.100 1389 I CA -0.766 60.448 61.300 -0.143 0.000 1.043 1389 I CB 1.557 39.400 38.000 -0.262 0.000 1.239 1389 I HN 0.578 nan 8.210 nan 0.000 0.420 1390 I N 6.516 127.101 120.570 0.025 0.000 2.503 1390 I HA 0.402 4.572 4.170 -0.001 0.000 0.282 1390 I C 0.120 176.388 176.117 0.250 0.000 1.059 1390 I CA -0.602 60.748 61.300 0.082 0.000 1.081 1390 I CB 1.763 39.556 38.000 -0.345 0.000 1.210 1390 I HN 0.660 nan 8.210 nan 0.000 0.450 1391 G N 4.134 113.079 108.800 0.242 0.000 2.339 1391 G HA2 0.446 4.405 3.960 -0.001 0.000 0.287 1391 G HA3 0.446 4.405 3.960 -0.001 0.000 0.287 1391 G C -0.253 174.612 174.900 -0.058 0.000 1.163 1391 G CA -0.213 44.778 45.100 -0.183 0.000 0.872 1391 G HN 0.450 nan 8.290 nan 0.000 0.464 1392 V N 1.913 121.817 119.914 -0.016 0.000 3.829 1392 V HA 0.518 4.637 4.120 -0.001 0.000 0.578 1392 V C 0.737 176.832 176.094 0.001 0.000 1.802 1392 V CA 0.483 62.800 62.300 0.028 0.000 2.505 1392 V CB 0.234 32.136 31.823 0.133 0.000 1.157 1392 V HN 0.965 nan 8.190 nan 0.000 0.649 1393 A N 0.539 123.321 122.820 -0.064 0.000 2.288 1393 A HA 0.597 4.916 4.320 -0.001 0.000 0.216 1393 A C 1.855 179.403 177.584 -0.060 0.000 1.199 1393 A CA 0.670 52.672 52.037 -0.057 0.000 0.891 1393 A CB -0.034 18.914 19.000 -0.088 0.000 0.923 1393 A HN 1.910 nan 8.150 nan 0.000 0.500 1394 G N -0.880 107.878 108.800 -0.069 0.000 2.341 1394 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.292 1394 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.292 1394 G C 0.620 175.487 174.900 -0.055 0.000 1.021 1394 G CA 0.526 45.592 45.100 -0.057 0.000 0.905 1394 G HN 1.615 nan 8.290 nan 0.000 0.508 1395 A N -0.785 121.993 122.820 -0.071 0.000 2.616 1395 A HA 0.783 5.102 4.320 -0.001 0.000 0.294 1395 A C 1.536 179.089 177.584 -0.052 0.000 1.091 1395 A CA 1.186 53.191 52.037 -0.055 0.000 0.971 1395 A CB 0.066 19.036 19.000 -0.051 0.000 1.222 1395 A HN 2.537 nan 8.150 nan 0.000 0.521 1396 G N 0.071 108.837 108.800 -0.057 0.000 2.549 1396 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.404 1396 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.404 1396 G C -0.474 174.392 174.900 -0.057 0.000 1.292 1396 G CA -0.936 44.141 45.100 -0.039 0.000 0.935 1396 G HN 0.406 nan 8.290 nan 0.000 0.512 1397 R N 0.498 120.988 120.500 -0.018 0.000 4.045 1397 R HA 0.145 4.485 4.340 -0.001 0.000 0.174 1397 R C 0.975 177.276 176.300 0.001 0.000 1.805 1397 R CA -0.126 55.973 56.100 -0.000 0.000 1.368 1397 R CB -0.470 29.850 30.300 0.034 0.000 1.362 1397 R HN 0.306 nan 8.270 nan 0.000 0.777 1398 L N 0.139 121.321 121.223 -0.069 0.000 2.509 1398 L HA 0.125 4.465 4.340 -0.001 0.000 0.222 1398 L C 0.850 177.817 176.870 0.162 0.000 1.123 1398 L CA 0.823 55.645 54.840 -0.029 0.000 0.856 1398 L CB -0.164 41.801 42.059 -0.157 0.000 0.985 1398 L HN 0.355 nan 8.230 nan 0.000 0.456 1399 F N 1.064 121.014 119.950 -0.001 0.000 2.573 1399 F HA 0.121 4.648 4.527 -0.001 0.000 0.349 1399 F C 1.146 176.971 175.800 0.041 0.000 1.213 1399 F CA -0.963 57.067 58.000 0.049 0.000 1.300 1399 F CB -0.056 38.981 39.000 0.063 0.000 1.661 1399 F HN 0.031 nan 8.300 nan 0.000 0.616 1400 T N -0.934 113.751 114.554 0.219 0.000 2.855 1400 T HA 0.048 4.397 4.350 -0.001 0.000 0.314 1400 T C -1.659 173.083 174.700 0.069 0.000 1.077 1400 T CA -1.410 60.759 62.100 0.115 0.000 1.095 1400 T CB 1.200 70.121 68.868 0.088 0.000 0.987 1400 T HN 0.110 nan 8.240 nan 0.000 0.546 1401 P HA -0.142 nan 4.420 nan 0.000 0.215 1401 P C 0.929 178.224 177.300 -0.008 0.000 1.163 1401 P CA 1.593 64.695 63.100 0.004 0.000 0.894 1401 P CB -0.178 31.522 31.700 0.000 0.000 0.791 1402 D N -1.081 119.318 120.400 -0.001 0.000 2.123 1402 D HA -0.127 4.512 4.640 -0.001 0.000 0.196 1402 D C 1.845 178.124 176.300 -0.034 0.000 0.992 1402 D CA 0.890 54.880 54.000 -0.017 0.000 0.833 1402 D CB -1.070 39.725 40.800 -0.009 0.000 0.954 1402 D HN -0.007 nan 8.370 nan 0.000 0.455 1403 V N 0.513 120.418 119.914 -0.014 0.000 2.427 1403 V HA -0.178 3.941 4.120 -0.001 0.000 0.248 1403 V C 2.201 178.238 176.094 -0.095 0.000 1.051 1403 V CA 1.187 63.461 62.300 -0.044 0.000 1.048 1403 V CB -0.337 31.523 31.823 0.062 0.000 0.666 1403 V HN 0.248 nan 8.190 nan 0.000 0.456 1404 I N -0.814 119.716 120.570 -0.068 0.000 2.333 1404 I HA -0.145 4.024 4.170 -0.001 0.000 0.246 1404 I C 2.692 178.755 176.117 -0.091 0.000 1.106 1404 I CA 1.193 62.436 61.300 -0.096 0.000 1.411 1404 I CB -0.327 37.631 38.000 -0.070 0.000 1.082 1404 I HN 0.141 nan 8.210 nan 0.000 0.420 1405 R N 0.994 121.453 120.500 -0.069 0.000 2.096 1405 R HA -0.012 4.327 4.340 -0.001 0.000 0.235 1405 R C 1.349 177.605 176.300 -0.074 0.000 1.127 1405 R CA 0.839 56.901 56.100 -0.063 0.000 0.968 1405 R CB -0.291 29.981 30.300 -0.047 0.000 0.861 1405 R HN 0.314 nan 8.270 nan 0.000 0.440 1409 S N 0.495 116.155 115.700 -0.066 0.000 2.357 1409 S HA -0.016 4.453 4.470 -0.001 0.000 0.221 1409 S C 1.720 176.282 174.600 -0.063 0.000 1.031 1409 S CA 1.663 59.828 58.200 -0.059 0.000 0.982 1409 S CB -0.381 62.784 63.200 -0.060 0.000 0.853 1409 S HN 0.479 nan 8.310 nan 0.000 0.458 1410 I N 1.336 121.859 120.570 -0.078 0.000 2.394 1410 I HA -0.047 4.122 4.170 -0.001 0.000 0.251 1410 I C 0.685 176.758 176.117 -0.073 0.000 1.136 1410 I CA 0.799 62.050 61.300 -0.082 0.000 1.425 1410 I CB -0.041 37.896 38.000 -0.105 0.000 1.079 1410 I HN 0.176 nan 8.210 nan 0.000 0.425 1411 N N -0.082 118.575 118.700 -0.073 0.000 2.272 1411 N HA 0.098 4.837 4.740 -0.001 0.000 0.305 1411 N C 0.549 176.030 175.510 -0.048 0.000 1.103 1411 N CA -0.258 52.755 53.050 -0.062 0.000 0.791 1411 N CB 2.334 40.778 38.487 -0.071 0.000 1.356 1411 N HN -0.059 nan 8.380 nan 0.000 0.486 1412 E N 1.055 121.233 120.200 -0.037 0.000 2.076 1412 E HA 0.025 4.374 4.350 -0.001 0.000 0.190 1412 E C -0.222 176.368 176.600 -0.016 0.000 0.979 1412 E CA 1.354 57.740 56.400 -0.023 0.000 0.807 1412 E CB 0.403 30.092 29.700 -0.018 0.000 0.761 1412 E HN 0.302 nan 8.360 nan 0.000 0.454 1413 R N 1.304 121.794 120.500 -0.017 0.000 2.651 1413 R HA 0.319 4.658 4.340 -0.001 0.000 0.282 1413 R C -2.543 173.744 176.300 -0.022 0.000 1.565 1413 R CA -2.121 53.976 56.100 -0.005 0.000 1.661 1413 R CB 0.605 30.912 30.300 0.013 0.000 1.189 1413 R HN 0.209 nan 8.270 nan 0.000 0.621 1414 P HA 0.063 nan 4.420 nan 0.000 0.268 1414 P C 0.056 177.323 177.300 -0.054 0.000 1.205 1414 P CA -0.145 62.916 63.100 -0.065 0.000 0.771 1414 P CB 1.166 32.814 31.700 -0.087 0.000 0.858 1415 V N 5.165 125.023 119.914 -0.094 0.000 2.383 1415 V HA 0.305 4.424 4.120 -0.001 0.000 0.275 1415 V C 0.651 176.669 176.094 -0.126 0.000 1.036 1415 V CA -0.229 61.997 62.300 -0.122 0.000 0.889 1415 V CB 0.620 32.278 31.823 -0.275 0.000 0.985 1415 V HN 0.395 nan 8.190 nan 0.000 0.459 1416 I N 5.853 126.457 120.570 0.055 0.000 2.466 1416 I HA 0.391 4.560 4.170 -0.001 0.000 0.279 1416 I C -1.185 175.172 176.117 0.400 0.000 1.033 1416 I CA -0.198 61.188 61.300 0.144 0.000 1.123 1416 I CB 1.265 39.361 38.000 0.160 0.000 1.237 1416 I HN 0.368 nan 8.210 nan 0.000 0.460 1417 F N 4.573 124.534 119.950 0.018 0.000 2.385 1417 F HA 0.542 5.068 4.527 -0.001 0.000 0.360 1417 F C 0.633 176.496 175.800 0.105 0.000 1.122 1417 F CA -1.583 56.379 58.000 -0.063 0.000 1.090 1417 F CB 1.775 40.756 39.000 -0.033 0.000 1.150 1417 F HN 0.398 nan 8.300 nan 0.000 0.472 1418 A N 5.805 128.674 122.820 0.082 0.000 2.786 1418 A HA 0.527 4.846 4.320 -0.001 0.000 0.346 1418 A C 0.464 178.036 177.584 -0.019 0.000 1.265 1418 A CA -0.336 51.736 52.037 0.058 0.000 0.858 1418 A CB -0.345 18.771 19.000 0.193 0.000 1.118 1418 A HN 0.811 nan 8.150 nan 0.000 0.482 1419 L N 0.532 121.751 121.223 -0.006 0.000 2.558 1419 L HA 0.074 4.413 4.340 -0.001 0.000 0.225 1419 L C 0.896 177.756 176.870 -0.016 0.000 1.128 1419 L CA 0.058 54.893 54.840 -0.008 0.000 0.868 1419 L CB -0.296 41.788 42.059 0.041 0.000 1.006 1419 L HN 0.477 nan 8.230 nan 0.000 0.454 1420 S N 1.081 116.758 115.700 -0.040 0.000 2.560 1420 S HA 0.143 4.612 4.470 -0.001 0.000 0.284 1420 S C 0.184 174.758 174.600 -0.044 0.000 1.327 1420 S CA -0.132 58.040 58.200 -0.046 0.000 1.055 1420 S CB 0.333 63.488 63.200 -0.075 0.000 0.868 1420 S HN 0.285 nan 8.310 nan 0.000 0.506 1421 N N 2.518 121.185 118.700 -0.054 0.000 2.328 1421 N HA 0.559 5.298 4.740 -0.001 0.000 0.299 1421 N C -2.758 172.708 175.510 -0.073 0.000 1.179 1421 N CA -1.540 51.462 53.050 -0.078 0.000 0.793 1421 N CB 1.631 40.051 38.487 -0.112 0.000 1.366 1421 N HN 0.270 nan 8.380 nan 0.000 0.493 1422 P HA 0.197 nan 4.420 nan 0.000 0.293 1422 P C 0.471 177.723 177.300 -0.080 0.000 1.304 1422 P CA -0.071 62.969 63.100 -0.100 0.000 0.767 1422 P CB 0.377 32.018 31.700 -0.098 0.000 1.247 1423 T N 0.081 114.570 114.554 -0.107 0.000 2.684 1423 T HA -0.282 4.067 4.350 -0.001 0.000 0.267 1423 T C 1.824 176.526 174.700 0.004 0.000 1.032 1423 T CA 2.583 64.625 62.100 -0.097 0.000 1.155 1423 T CB -1.311 67.459 68.868 -0.165 0.000 0.857 1423 T HN 0.574 nan 8.240 nan 0.000 0.457 1424 A N 0.411 123.229 122.820 -0.003 0.000 2.172 1424 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 1424 A C 2.164 179.756 177.584 0.013 0.000 1.154 1424 A CA 1.106 53.155 52.037 0.020 0.000 0.701 1424 A CB -0.359 18.644 19.000 0.006 0.000 0.789 1424 A HN 0.383 nan 8.150 nan 0.000 0.465 1425 Q N -0.795 119.001 119.800 -0.006 0.000 2.319 1425 Q HA 0.456 4.795 4.340 -0.001 0.000 0.209 1425 Q C 0.767 176.751 176.000 -0.026 0.000 0.884 1425 Q CA 0.538 56.328 55.803 -0.021 0.000 0.938 1425 Q CB 0.039 28.756 28.738 -0.036 0.000 1.098 1425 Q HN 0.585 nan 8.270 nan 0.000 0.517 1426 A N 0.419 123.246 122.820 0.012 0.000 2.466 1426 A HA 0.038 4.358 4.320 -0.001 0.000 0.238 1426 A C 0.766 178.344 177.584 -0.009 0.000 1.074 1426 A CA -0.056 52.001 52.037 0.033 0.000 0.774 1426 A CB 0.373 19.479 19.000 0.177 0.000 1.015 1426 A HN 0.181 nan 8.150 nan 0.000 0.498 1427 E N -0.724 119.409 120.200 -0.111 0.000 2.208 1427 E HA 0.054 4.404 4.350 -0.001 0.000 0.193 1427 E C 0.523 177.123 176.600 0.000 0.000 0.988 1427 E CA 1.542 57.784 56.400 -0.263 0.000 0.828 1427 E CB -0.213 28.906 29.700 -0.969 0.000 0.763 1427 E HN 0.899 nan 8.360 nan 0.000 0.478 1428 C N -2.968 116.421 119.300 0.149 0.000 3.231 1428 C HA 0.621 5.080 4.460 -0.001 0.000 0.343 1428 C C 0.129 175.191 174.990 0.121 0.000 1.349 1428 C CA -0.680 58.433 59.018 0.158 0.000 1.209 1428 C CB 0.861 28.735 27.740 0.223 0.000 1.475 1428 C HN 0.257 nan 8.230 nan 0.000 0.460 1429 T N -0.638 113.820 114.554 -0.161 0.000 2.862 1429 T HA 0.660 5.009 4.350 -0.001 0.000 0.276 1429 T C 1.173 175.315 174.700 -0.930 0.000 0.974 1429 T CA 0.250 61.916 62.100 -0.723 0.000 0.966 1429 T CB 1.258 69.742 68.868 -0.640 0.000 1.072 1429 T HN 2.112 nan 8.240 nan 0.000 0.538 1430 A N -0.359 121.695 122.820 -1.277 0.000 1.929 1430 A HA 0.042 4.361 4.320 -0.001 0.000 0.216 1430 A C 2.269 179.460 177.584 -0.655 0.000 1.176 1430 A CA 1.507 52.843 52.037 -1.168 0.000 0.628 1430 A CB -1.088 17.663 19.000 -0.415 0.000 0.816 1430 A HN 1.024 nan 8.150 nan 0.000 0.444 1431 E N -0.017 119.935 120.200 -0.413 0.000 2.077 1431 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 1431 E C 1.862 178.331 176.600 -0.217 0.000 0.989 1431 E CA 1.399 57.685 56.400 -0.190 0.000 0.800 1431 E CB -0.112 29.509 29.700 -0.131 0.000 0.746 1431 E HN 0.741 nan 8.360 nan 0.000 0.452 1432 E N 0.023 120.048 120.200 -0.292 0.000 2.051 1432 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 1432 E C 2.001 178.443 176.600 -0.264 0.000 0.991 1432 E CA 0.976 57.246 56.400 -0.217 0.000 0.799 1432 E CB -0.120 29.478 29.700 -0.170 0.000 0.748 1432 E HN 0.345 nan 8.360 nan 0.000 0.449 1433 A N 0.545 123.083 122.820 -0.469 0.000 1.858 1433 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 1433 A C 1.943 179.254 177.584 -0.456 0.000 1.190 1433 A CA 1.362 53.089 52.037 -0.517 0.000 0.617 1433 A CB -1.012 17.435 19.000 -0.921 0.000 0.827 1433 A HN 0.303 nan 8.150 nan 0.000 0.443 1434 Y N 0.848 120.907 120.300 -0.402 0.000 2.114 1434 Y HA -0.239 4.310 4.550 -0.001 0.000 0.284 1434 Y C 3.283 179.017 175.900 -0.276 0.000 1.143 1434 Y CA 1.862 59.716 58.100 -0.410 0.000 1.135 1434 Y CB -0.698 37.488 38.460 -0.457 0.000 0.980 1434 Y HN 0.538 nan 8.280 nan 0.000 0.499 1435 T N -1.200 113.334 114.554 -0.033 0.000 2.674 1435 T HA -0.207 4.143 4.350 -0.001 0.000 0.265 1435 T C 1.711 176.381 174.700 -0.049 0.000 1.039 1435 T CA 1.305 63.389 62.100 -0.028 0.000 1.150 1435 T CB -0.825 68.027 68.868 -0.027 0.000 0.864 1435 T HN 0.091 nan 8.240 nan 0.000 0.427 1436 L N 2.566 123.743 121.223 -0.076 0.000 2.450 1436 L HA 0.089 4.428 4.340 -0.001 0.000 0.224 1436 L C 2.535 179.365 176.870 -0.068 0.000 1.149 1436 L CA 1.874 56.674 54.840 -0.067 0.000 0.816 1436 L CB -0.976 41.038 42.059 -0.075 0.000 0.932 1436 L HN 0.782 nan 8.230 nan 0.000 0.449 1437 T N -5.277 109.229 114.554 -0.081 0.000 3.084 1437 T HA 0.150 4.499 4.350 -0.001 0.000 0.270 1437 T C 0.426 175.096 174.700 -0.051 0.000 1.008 1437 T CA -0.202 61.855 62.100 -0.072 0.000 0.900 1437 T CB -0.121 68.691 68.868 -0.093 0.000 1.084 1437 T HN 0.387 nan 8.240 nan 0.000 0.538 1438 E N 0.952 121.129 120.200 -0.038 0.000 2.320 1438 E HA -0.222 4.127 4.350 -0.001 0.000 0.234 1438 E C 0.991 177.589 176.600 -0.004 0.000 1.183 1438 E CA 0.338 56.735 56.400 -0.005 0.000 0.713 1438 E CB -2.269 27.435 29.700 0.007 0.000 1.226 1438 E HN 1.059 nan 8.360 nan 0.000 0.382 1439 G N 0.202 108.936 108.800 -0.109 0.000 2.168 1439 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.257 1439 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.257 1439 G C 0.808 175.628 174.900 -0.134 0.000 0.997 1439 G CA 0.821 45.721 45.100 -0.333 0.000 0.708 1439 G HN 0.455 nan 8.290 nan 0.000 0.520 1440 R N -0.689 119.777 120.500 -0.057 0.000 2.237 1440 R HA 0.186 4.525 4.340 -0.001 0.000 0.195 1440 R C 2.079 178.380 176.300 0.002 0.000 0.956 1440 R CA 0.678 56.778 56.100 -0.000 0.000 1.029 1440 R CB -0.062 30.237 30.300 -0.002 0.000 0.972 1440 R HN 0.806 nan 8.270 nan 0.000 0.493 1441 C N 0.473 119.754 119.300 -0.032 0.000 2.657 1441 C HA 0.446 4.905 4.460 -0.001 0.000 0.404 1441 C C 0.378 175.412 174.990 0.074 0.000 1.291 1441 C CA -1.173 57.836 59.018 -0.015 0.000 2.218 1441 C CB -0.255 27.431 27.740 -0.090 0.000 2.687 1441 C HN 0.209 nan 8.230 nan 0.000 0.634 1442 L N 3.605 124.897 121.223 0.114 0.000 2.277 1442 L HA 0.482 4.821 4.340 -0.001 0.000 0.284 1442 L C -0.158 176.892 176.870 0.299 0.000 1.028 1442 L CA -0.025 54.941 54.840 0.209 0.000 0.835 1442 L CB 0.370 42.525 42.059 0.159 0.000 1.215 1442 L HN 0.818 nan 8.230 nan 0.000 0.425 1443 F N 3.407 123.410 119.950 0.087 0.000 2.507 1443 F HA 0.878 5.404 4.527 -0.001 0.000 0.327 1443 F C -0.247 175.599 175.800 0.077 0.000 1.068 1443 F CA -0.456 57.573 58.000 0.048 0.000 0.965 1443 F CB 1.574 40.367 39.000 -0.345 0.000 1.192 1443 F HN 0.420 nan 8.300 nan 0.000 0.476 1444 A N 2.580 124.866 122.820 -0.890 0.000 2.604 1444 A HA 0.694 5.013 4.320 -0.001 0.000 0.295 1444 A C -1.402 175.554 177.584 -1.047 0.000 1.067 1444 A CA -0.167 51.398 52.037 -0.786 0.000 0.683 1444 A CB 1.260 19.709 19.000 -0.919 0.000 1.281 1444 A HN 1.126 nan 8.150 nan 0.000 0.407 1445 S N -0.228 115.199 115.700 -0.456 0.000 2.632 1445 S HA 0.736 5.205 4.470 -0.001 0.000 0.289 1445 S C 0.781 175.330 174.600 -0.085 0.000 1.115 1445 S CA -0.024 58.056 58.200 -0.200 0.000 0.889 1445 S CB 1.410 64.746 63.200 0.226 0.000 1.116 1445 S HN 1.810 nan 8.310 nan 0.000 0.486 1446 G N 0.394 109.167 108.800 -0.045 0.000 2.453 1446 G HA2 0.253 4.212 3.960 -0.001 0.000 0.215 1446 G HA3 0.253 4.212 3.960 -0.001 0.000 0.215 1446 G C 0.376 175.251 174.900 -0.041 0.000 1.147 1446 G CA 0.119 45.198 45.100 -0.035 0.000 0.802 1446 G HN 0.664 nan 8.290 nan 0.000 0.535 1447 S N 0.843 116.491 115.700 -0.086 0.000 2.690 1447 S HA 0.557 5.026 4.470 -0.001 0.000 0.291 1447 S C -2.596 171.868 174.600 -0.227 0.000 1.138 1447 S CA -0.994 57.104 58.200 -0.170 0.000 1.013 1447 S CB 2.229 65.276 63.200 -0.255 0.000 1.053 1447 S HN 0.045 nan 8.310 nan 0.000 0.539 1448 P HA 0.369 nan 4.420 nan 0.000 0.280 1448 P C -1.340 175.772 177.300 -0.314 0.000 1.244 1448 P CA -0.012 63.000 63.100 -0.146 0.000 0.784 1448 P CB 0.127 31.803 31.700 -0.040 0.000 0.913 1449 F N 0.908 120.950 119.950 0.153 0.000 2.569 1449 F HA 0.487 5.013 4.527 -0.001 0.000 0.312 1449 F C 1.085 176.977 175.800 0.154 0.000 1.109 1449 F CA -0.755 57.339 58.000 0.157 0.000 0.919 1449 F CB 2.349 41.475 39.000 0.209 0.000 1.211 1449 F HN 0.312 nan 8.300 nan 0.000 0.446 1450 G N 2.188 111.194 108.800 0.342 0.000 2.580 1450 G HA2 0.528 4.488 3.960 -0.001 0.000 0.278 1450 G HA3 0.528 4.488 3.960 -0.001 0.000 0.278 1450 G C -2.743 172.285 174.900 0.213 0.000 1.212 1450 G CA -1.444 43.792 45.100 0.227 0.000 0.939 1450 G HN 0.284 nan 8.290 nan 0.000 0.513 1451 P HA 0.199 nan 4.420 nan 0.000 0.267 1451 P C -0.561 176.800 177.300 0.103 0.000 1.201 1451 P CA -0.209 62.965 63.100 0.122 0.000 0.775 1451 P CB 0.802 32.546 31.700 0.073 0.000 0.854 1452 V N 2.802 122.766 119.914 0.084 0.000 2.487 1452 V HA 0.362 4.481 4.120 -0.001 0.000 0.298 1452 V C 0.074 176.207 176.094 0.066 0.000 1.028 1452 V CA -0.499 61.849 62.300 0.080 0.000 0.860 1452 V CB 1.619 33.519 31.823 0.128 0.000 0.991 1452 V HN 0.442 nan 8.190 nan 0.000 0.427 1453 K N 5.584 126.015 120.400 0.052 0.000 2.358 1453 K HA 0.656 4.975 4.320 -0.001 0.000 0.260 1453 K C -0.835 175.798 176.600 0.056 0.000 0.956 1453 K CA -0.617 55.691 56.287 0.035 0.000 0.834 1453 K CB 1.131 33.634 32.500 0.006 0.000 1.102 1453 K HN 0.613 nan 8.250 nan 0.000 0.431 1454 L N 2.834 124.108 121.223 0.085 0.000 2.466 1454 L HA 0.161 4.500 4.340 -0.001 0.000 0.257 1454 L C 1.698 178.593 176.870 0.043 0.000 1.189 1454 L CA -0.551 54.337 54.840 0.079 0.000 0.813 1454 L CB 0.718 42.852 42.059 0.126 0.000 1.118 1454 L HN 0.809 nan 8.230 nan 0.000 0.471 1455 T N -1.999 112.576 114.554 0.034 0.000 2.897 1455 T HA -0.174 4.175 4.350 -0.001 0.000 0.271 1455 T C 0.996 175.707 174.700 0.018 0.000 1.084 1455 T CA 1.330 63.443 62.100 0.021 0.000 1.123 1455 T CB -0.507 68.371 68.868 0.017 0.000 0.865 1455 T HN 0.821 nan 8.240 nan 0.000 0.496 1456 D N 0.720 121.135 120.400 0.025 0.000 2.340 1456 D HA 0.263 4.902 4.640 -0.001 0.000 0.220 1456 D C 1.606 177.909 176.300 0.005 0.000 1.039 1456 D CA 0.565 54.576 54.000 0.018 0.000 0.866 1456 D CB -0.583 40.233 40.800 0.028 0.000 0.913 1456 D HN 0.487 nan 8.370 nan 0.000 0.523 1457 G N 0.038 108.838 108.800 0.001 0.000 2.258 1457 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.233 1457 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.233 1457 G C 0.325 175.190 174.900 -0.057 0.000 1.006 1457 G CA -0.184 44.903 45.100 -0.023 0.000 0.620 1457 G HN 0.447 nan 8.290 nan 0.000 0.511 1458 R N 0.295 120.758 120.500 -0.062 0.000 2.489 1458 R HA 0.498 4.837 4.340 -0.001 0.000 0.287 1458 R C 0.079 176.227 176.300 -0.252 0.000 1.053 1458 R CA 0.034 56.017 56.100 -0.195 0.000 1.036 1458 R CB 1.302 31.491 30.300 -0.184 0.000 0.966 1458 R HN 0.125 nan 8.270 nan 0.000 0.432 1459 V N 4.746 124.419 119.914 -0.402 0.000 2.483 1459 V HA 0.429 4.549 4.120 -0.001 0.000 0.295 1459 V C -0.682 175.059 176.094 -0.590 0.000 1.035 1459 V CA -0.500 61.611 62.300 -0.315 0.000 0.896 1459 V CB 1.121 32.834 31.823 -0.182 0.000 0.986 1459 V HN 0.510 nan 8.190 nan 0.000 0.447 1460 F N 1.500 121.285 119.950 -0.275 0.000 2.518 1460 F HA 0.501 5.027 4.527 -0.001 0.000 0.323 1460 F C 0.469 176.116 175.800 -0.254 0.000 1.129 1460 F CA -0.516 57.222 58.000 -0.437 0.000 0.920 1460 F CB 2.234 40.532 39.000 -1.170 0.000 1.160 1460 F HN 0.316 nan 8.300 nan 0.000 0.440 1461 T N 5.097 119.689 114.554 0.064 0.000 2.853 1461 T HA 0.321 4.670 4.350 -0.001 0.000 0.317 1461 T C -2.625 172.232 174.700 0.263 0.000 1.059 1461 T CA -1.537 60.651 62.100 0.145 0.000 0.954 1461 T CB 0.673 69.600 68.868 0.099 0.000 0.994 1461 T HN 0.163 nan 8.240 nan 0.000 0.479 1462 P HA 0.350 nan 4.420 nan 0.000 0.274 1462 P C 0.254 177.774 177.300 0.367 0.000 1.231 1462 P CA -0.213 63.187 63.100 0.500 0.000 0.790 1462 P CB 0.833 32.948 31.700 0.692 0.000 0.951 1463 G N 0.884 109.884 108.800 0.333 0.000 2.437 1463 G HA2 0.366 4.325 3.960 -0.001 0.000 0.319 1463 G HA3 0.366 4.325 3.960 -0.001 0.000 0.319 1463 G C -1.117 173.942 174.900 0.264 0.000 1.158 1463 G CA -0.519 44.773 45.100 0.320 0.000 0.899 1463 G HN 0.526 nan 8.290 nan 0.000 0.502 1464 Q N 0.090 120.013 119.800 0.205 0.000 2.340 1464 Q HA 0.476 4.815 4.340 -0.001 0.000 0.259 1464 Q C 0.276 176.153 176.000 -0.205 0.000 0.964 1464 Q CA -0.654 55.189 55.803 0.067 0.000 0.900 1464 Q CB 1.124 29.936 28.738 0.123 0.000 1.228 1464 Q HN 0.584 nan 8.270 nan 0.000 0.449 1465 G N 4.405 113.068 108.800 -0.230 0.000 2.977 1465 G HA2 0.102 4.061 3.960 -0.001 0.000 0.306 1465 G HA3 0.102 4.061 3.960 -0.001 0.000 0.306 1465 G C -0.527 174.288 174.900 -0.141 0.000 0.885 1465 G CA -0.217 44.666 45.100 -0.361 0.000 1.649 1465 G HN 0.536 nan 8.290 nan 0.000 0.514 1466 N N 1.253 119.911 118.700 -0.070 0.000 2.240 1466 N HA 0.049 4.788 4.740 -0.001 0.000 0.302 1466 N C 1.040 176.636 175.510 0.143 0.000 1.106 1466 N CA -0.619 52.485 53.050 0.090 0.000 0.778 1466 N CB 1.543 40.133 38.487 0.172 0.000 1.431 1466 N HN 0.288 nan 8.380 nan 0.000 0.479 1467 N N 1.428 120.268 118.700 0.234 0.000 2.519 1467 N HA -0.144 4.595 4.740 -0.001 0.000 0.186 1467 N C 1.438 177.071 175.510 0.205 0.000 1.062 1467 N CA 0.622 53.856 53.050 0.307 0.000 0.910 1467 N CB -0.142 38.610 38.487 0.442 0.000 0.958 1467 N HN 0.252 nan 8.380 nan 0.000 0.445 1468 V N -0.453 119.482 119.914 0.035 0.000 2.688 1468 V HA -0.222 3.897 4.120 -0.001 0.000 0.256 1468 V C 1.105 176.840 176.094 -0.598 0.000 1.084 1468 V CA 1.452 63.397 62.300 -0.592 0.000 1.103 1468 V CB -0.751 30.738 31.823 -0.556 0.000 0.688 1468 V HN 0.394 nan 8.190 nan 0.000 0.480 1469 Y N -1.173 118.955 120.300 -0.286 0.000 2.561 1469 Y HA 0.053 4.603 4.550 -0.001 0.000 0.291 1469 Y C 2.040 177.829 175.900 -0.185 0.000 1.141 1469 Y CA 0.854 58.817 58.100 -0.229 0.000 1.303 1469 Y CB 0.434 38.772 38.460 -0.203 0.000 1.015 1469 Y HN 0.241 nan 8.280 nan 0.000 0.547 1470 I N -1.900 118.655 120.570 -0.025 0.000 3.570 1470 I HA -0.117 4.052 4.170 -0.001 0.000 0.270 1470 I C 2.036 178.151 176.117 -0.004 0.000 1.162 1470 I CA 0.599 61.914 61.300 0.025 0.000 1.413 1470 I CB -1.165 36.933 38.000 0.165 0.000 1.437 1470 I HN 0.155 nan 8.210 nan 0.000 0.457 1471 F N 2.458 122.451 119.950 0.071 0.000 2.161 1471 F HA 0.022 4.548 4.527 -0.001 0.000 0.300 1471 F C -0.738 174.972 175.800 -0.150 0.000 1.089 1471 F CA 0.796 58.835 58.000 0.064 0.000 1.282 1471 F CB -2.833 36.331 39.000 0.275 0.000 1.010 1471 F HN 0.057 nan 8.300 nan 0.000 0.485 1472 P HA -0.025 nan 4.420 nan 0.000 0.215 1472 P C 2.061 179.196 177.300 -0.276 0.000 1.157 1472 P CA 2.270 65.127 63.100 -0.405 0.000 0.863 1472 P CB -0.449 30.987 31.700 -0.440 0.000 0.787 1473 G N -0.637 108.039 108.800 -0.206 0.000 2.448 1473 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.218 1473 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.218 1473 G C 1.538 176.361 174.900 -0.129 0.000 1.135 1473 G CA 0.431 45.447 45.100 -0.140 0.000 0.784 1473 G HN 0.156 nan 8.290 nan 0.000 0.543 1474 V N 1.381 121.202 119.914 -0.156 0.000 2.346 1474 V HA -0.034 4.085 4.120 -0.001 0.000 0.244 1474 V C 3.285 179.298 176.094 -0.134 0.000 1.037 1474 V CA 1.758 63.937 62.300 -0.201 0.000 1.029 1474 V CB -0.818 30.791 31.823 -0.357 0.000 0.663 1474 V HN 0.432 nan 8.190 nan 0.000 0.454 1475 A N 0.282 123.038 122.820 -0.105 0.000 1.884 1475 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 1475 A C 2.214 179.785 177.584 -0.022 0.000 1.197 1475 A CA 2.508 54.528 52.037 -0.029 0.000 0.637 1475 A CB -0.805 18.064 19.000 -0.217 0.000 0.827 1475 A HN 0.472 nan 8.150 nan 0.000 0.450 1476 L N -0.418 120.759 121.223 -0.077 0.000 2.042 1476 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 1476 L C 2.678 179.552 176.870 0.007 0.000 1.076 1476 L CA 2.362 57.183 54.840 -0.032 0.000 0.749 1476 L CB -0.683 41.342 42.059 -0.058 0.000 0.893 1476 L HN 0.382 nan 8.230 nan 0.000 0.432 1477 A N -1.055 121.764 122.820 -0.002 0.000 1.858 1477 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 1477 A C 2.251 179.875 177.584 0.067 0.000 1.190 1477 A CA 2.161 54.223 52.037 0.042 0.000 0.617 1477 A CB -1.218 17.789 19.000 0.011 0.000 0.827 1477 A HN 0.303 nan 8.150 nan 0.000 0.443 1478 V N 0.246 120.183 119.914 0.039 0.000 2.255 1478 V HA -0.313 3.806 4.120 -0.001 0.000 0.247 1478 V C 2.460 178.610 176.094 0.093 0.000 1.051 1478 V CA 2.256 64.595 62.300 0.064 0.000 1.018 1478 V CB -0.779 31.084 31.823 0.068 0.000 0.641 1478 V HN 0.579 nan 8.190 nan 0.000 0.445 1479 I N -0.491 120.134 120.570 0.093 0.000 2.151 1479 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 1479 I C 2.332 178.516 176.117 0.112 0.000 1.080 1479 I CA 1.699 63.058 61.300 0.098 0.000 1.339 1479 I CB -0.360 37.692 38.000 0.086 0.000 1.039 1479 I HN 0.253 nan 8.210 nan 0.000 0.409 1480 L N -0.469 120.825 121.223 0.118 0.000 2.141 1480 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 1480 L C 2.306 179.348 176.870 0.287 0.000 1.094 1480 L CA 0.981 55.929 54.840 0.179 0.000 0.763 1480 L CB -0.529 41.621 42.059 0.151 0.000 0.908 1480 L HN 0.427 nan 8.230 nan 0.000 0.437 1481 C N -0.423 119.002 119.300 0.208 0.000 2.618 1481 C HA 0.087 4.546 4.460 -0.001 0.000 0.264 1481 C C 1.114 176.167 174.990 0.105 0.000 1.334 1481 C CA -0.203 58.886 59.018 0.118 0.000 1.731 1481 C CB -1.646 26.088 27.740 -0.009 0.000 1.852 1481 C HN 0.639 nan 8.230 nan 0.000 0.566 1482 N N 0.218 119.008 118.700 0.150 0.000 2.758 1482 N HA -0.142 4.597 4.740 -0.001 0.000 0.248 1482 N C -0.476 175.154 175.510 0.200 0.000 1.076 1482 N CA 0.162 53.311 53.050 0.164 0.000 0.696 1482 N CB -0.880 37.733 38.487 0.210 0.000 0.979 1482 N HN 0.430 nan 8.380 nan 0.000 0.550 1483 T N -0.221 114.426 114.554 0.155 0.000 2.901 1483 T HA 0.150 4.499 4.350 -0.001 0.000 0.301 1483 T C 1.504 176.245 174.700 0.067 0.000 1.012 1483 T CA 0.056 62.263 62.100 0.177 0.000 1.135 1483 T CB 1.244 70.183 68.868 0.119 0.000 0.936 1483 T HN 0.208 nan 8.240 nan 0.000 0.539 1484 R N 0.945 121.452 120.500 0.011 0.000 2.128 1484 R HA 0.147 4.486 4.340 -0.001 0.000 0.211 1484 R C 0.056 176.053 176.300 -0.505 0.000 1.067 1484 R CA 0.635 56.560 56.100 -0.291 0.000 1.010 1484 R CB 0.260 30.315 30.300 -0.408 0.000 0.922 1484 R HN 0.663 nan 8.270 nan 0.000 0.457 1485 H N -1.353 117.796 119.070 0.131 0.000 2.895 1485 H HA 0.401 4.956 4.556 -0.001 0.000 0.373 1485 H C -1.186 174.242 175.328 0.167 0.000 1.174 1485 H CA -0.738 55.401 56.048 0.151 0.000 1.144 1485 H CB 2.141 31.979 29.762 0.127 0.000 1.793 1485 H HN -0.120 nan 8.280 nan 0.000 0.551 1486 I N 2.184 122.948 120.570 0.324 0.000 2.328 1486 I HA 0.243 4.413 4.170 -0.001 0.000 0.287 1486 I C -0.016 176.278 176.117 0.295 0.000 1.012 1486 I CA -0.506 60.954 61.300 0.268 0.000 1.195 1486 I CB 1.152 39.323 38.000 0.285 0.000 1.350 1486 I HN 0.560 nan 8.210 nan 0.000 0.464 1487 S N 2.862 118.711 115.700 0.248 0.000 2.610 1487 S HA 0.252 4.721 4.470 -0.001 0.000 0.273 1487 S C 0.657 175.445 174.600 0.314 0.000 1.274 1487 S CA -0.755 57.595 58.200 0.250 0.000 1.023 1487 S CB 1.547 64.876 63.200 0.216 0.000 0.962 1487 S HN 0.539 nan 8.310 nan 0.000 0.523 1488 D N 1.917 122.494 120.400 0.294 0.000 2.149 1488 D HA -0.125 4.514 4.640 -0.001 0.000 0.198 1488 D C 2.142 178.618 176.300 0.293 0.000 0.990 1488 D CA 1.907 56.102 54.000 0.325 0.000 0.839 1488 D CB -0.621 40.294 40.800 0.191 0.000 0.948 1488 D HN 0.767 nan 8.370 nan 0.000 0.460 1489 S N -0.072 115.753 115.700 0.208 0.000 2.469 1489 S HA -0.091 4.378 4.470 -0.001 0.000 0.238 1489 S C 2.119 176.695 174.600 -0.039 0.000 0.998 1489 S CA 0.430 58.713 58.200 0.137 0.000 0.957 1489 S CB -0.377 62.959 63.200 0.227 0.000 0.764 1489 S HN 0.083 nan 8.310 nan 0.000 0.514 1490 V N 0.482 120.387 119.914 -0.015 0.000 2.548 1490 V HA -0.000 4.119 4.120 -0.001 0.000 0.249 1490 V C 1.887 177.746 176.094 -0.391 0.000 1.055 1490 V CA 1.374 63.498 62.300 -0.293 0.000 1.065 1490 V CB -0.896 30.781 31.823 -0.243 0.000 0.681 1490 V HN 0.495 nan 8.190 nan 0.000 0.462 1491 F N -1.009 118.875 119.950 -0.110 0.000 2.558 1491 F HA 0.050 4.576 4.527 -0.001 0.000 0.298 1491 F C 2.020 177.777 175.800 -0.073 0.000 1.119 1491 F CA 0.846 58.794 58.000 -0.087 0.000 1.451 1491 F CB -0.189 38.786 39.000 -0.043 0.000 1.091 1491 F HN 0.048 nan 8.300 nan 0.000 0.563 1492 L N -0.322 120.937 121.223 0.060 0.000 2.072 1492 L HA -0.121 4.218 4.340 -0.001 0.000 0.205 1492 L C 2.440 179.269 176.870 -0.068 0.000 1.079 1492 L CA 1.219 56.071 54.840 0.021 0.000 0.752 1492 L CB -0.257 41.813 42.059 0.018 0.000 0.906 1492 L HN 0.045 nan 8.230 nan 0.000 0.436 1493 E N -0.077 119.993 120.200 -0.217 0.000 2.150 1493 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 1493 E C 2.092 178.591 176.600 -0.169 0.000 0.985 1493 E CA 1.131 57.367 56.400 -0.273 0.000 0.814 1493 E CB 0.094 29.429 29.700 -0.608 0.000 0.752 1493 E HN 0.458 nan 8.360 nan 0.000 0.466 1494 A N 1.222 123.946 122.820 -0.160 0.000 1.898 1494 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 1494 A C 2.391 179.965 177.584 -0.018 0.000 1.181 1494 A CA 1.674 53.652 52.037 -0.099 0.000 0.620 1494 A CB -0.470 18.455 19.000 -0.124 0.000 0.819 1494 A HN 0.248 nan 8.150 nan 0.000 0.442 1495 A N -0.232 122.599 122.820 0.019 0.000 2.024 1495 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 1495 A C 2.080 179.683 177.584 0.032 0.000 1.164 1495 A CA 1.843 53.914 52.037 0.057 0.000 0.643 1495 A CB -0.332 18.716 19.000 0.081 0.000 0.806 1495 A HN 0.577 nan 8.150 nan 0.000 0.451 1496 K N -0.730 119.671 120.400 0.002 0.000 2.128 1496 K HA 0.186 4.505 4.320 -0.001 0.000 0.202 1496 K C 2.281 178.880 176.600 -0.002 0.000 1.050 1496 K CA 0.768 57.055 56.287 -0.000 0.000 0.966 1496 K CB -0.194 32.299 32.500 -0.011 0.000 0.759 1496 K HN 0.369 nan 8.250 nan 0.000 0.454 1497 A N 1.519 124.331 122.820 -0.013 0.000 1.972 1497 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 1497 A C 2.065 179.652 177.584 0.005 0.000 1.169 1497 A CA 1.093 53.126 52.037 -0.008 0.000 0.635 1497 A CB -0.371 18.616 19.000 -0.022 0.000 0.810 1497 A HN 0.224 nan 8.150 nan 0.000 0.446 1498 L N -1.183 120.048 121.223 0.014 0.000 1.993 1498 L HA -0.026 4.313 4.340 -0.001 0.000 0.206 1498 L C 2.414 179.294 176.870 0.017 0.000 1.074 1498 L CA 2.770 57.625 54.840 0.026 0.000 0.746 1498 L CB -1.165 40.921 42.059 0.046 0.000 0.896 1498 L HN 0.253 nan 8.230 nan 0.000 0.435 1499 T N -1.018 113.545 114.554 0.015 0.000 2.849 1499 T HA -0.165 4.184 4.350 -0.001 0.000 0.270 1499 T C 2.026 176.722 174.700 -0.007 0.000 1.066 1499 T CA 1.442 63.537 62.100 -0.009 0.000 1.130 1499 T CB -0.396 68.464 68.868 -0.014 0.000 0.864 1499 T HN 0.695 nan 8.240 nan 0.000 0.481 1500 S N 0.483 116.185 115.700 0.002 0.000 2.507 1500 S HA -0.046 4.423 4.470 -0.001 0.000 0.235 1500 S C 1.748 176.352 174.600 0.007 0.000 0.988 1500 S CA 0.726 58.929 58.200 0.005 0.000 0.944 1500 S CB -0.319 62.886 63.200 0.007 0.000 0.762 1500 S HN 0.616 nan 8.310 nan 0.000 0.526 1501 Q N -0.029 119.776 119.800 0.009 0.000 2.392 1501 Q HA 0.344 4.683 4.340 -0.001 0.000 0.203 1501 Q C 0.240 176.248 176.000 0.013 0.000 0.917 1501 Q CA -0.165 55.646 55.803 0.014 0.000 0.939 1501 Q CB 0.148 28.900 28.738 0.023 0.000 1.063 1501 Q HN 0.537 nan 8.270 nan 0.000 0.516 1502 L N 2.602 123.827 121.223 0.003 0.000 2.453 1502 L HA 0.078 4.417 4.340 -0.001 0.000 0.272 1502 L C 0.320 177.194 176.870 0.006 0.000 1.182 1502 L CA 0.129 54.969 54.840 0.000 0.000 0.858 1502 L CB 0.809 42.855 42.059 -0.022 0.000 1.120 1502 L HN 0.123 nan 8.230 nan 0.000 0.474 1503 T N -1.216 113.346 114.554 0.012 0.000 2.867 1503 T HA 0.229 4.578 4.350 -0.001 0.000 0.282 1503 T C 0.618 175.325 174.700 0.012 0.000 1.000 1503 T CA -0.843 61.264 62.100 0.012 0.000 1.042 1503 T CB 1.410 70.286 68.868 0.015 0.000 0.973 1503 T HN 0.584 nan 8.240 nan 0.000 0.465 1504 D N 1.528 121.934 120.400 0.010 0.000 2.190 1504 D HA -0.140 4.500 4.640 -0.001 0.000 0.200 1504 D C 1.584 177.891 176.300 0.013 0.000 0.992 1504 D CA 1.269 55.276 54.000 0.012 0.000 0.854 1504 D CB -0.160 40.646 40.800 0.010 0.000 0.936 1504 D HN 0.681 nan 8.370 nan 0.000 0.462 1505 E N 0.908 121.114 120.200 0.011 0.000 2.051 1505 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 1505 E C 1.987 178.595 176.600 0.014 0.000 0.991 1505 E CA 1.099 57.505 56.400 0.009 0.000 0.799 1505 E CB -0.343 29.361 29.700 0.007 0.000 0.748 1505 E HN 0.455 nan 8.360 nan 0.000 0.449 1506 E N 0.401 120.614 120.200 0.022 0.000 2.106 1506 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 1506 E C 2.118 178.742 176.600 0.041 0.000 0.984 1506 E CA 0.507 56.928 56.400 0.034 0.000 0.806 1506 E CB -0.134 29.590 29.700 0.040 0.000 0.750 1506 E HN 0.154 nan 8.360 nan 0.000 0.458 1507 L N 0.530 121.772 121.223 0.032 0.000 2.083 1507 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 1507 L C 2.409 179.310 176.870 0.052 0.000 1.083 1507 L CA 1.068 55.931 54.840 0.038 0.000 0.752 1507 L CB -0.319 41.754 42.059 0.024 0.000 0.899 1507 L HN 0.177 nan 8.230 nan 0.000 0.433 1508 A N -0.342 122.497 122.820 0.033 0.000 1.940 1508 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 1508 A C 2.017 179.609 177.584 0.012 0.000 1.176 1508 A CA 1.764 53.814 52.037 0.022 0.000 0.631 1508 A CB -0.455 18.547 19.000 0.003 0.000 0.814 1508 A HN 0.643 nan 8.150 nan 0.000 0.446 1509 Q N -1.952 117.856 119.800 0.012 0.000 2.297 1509 Q HA 0.221 4.560 4.340 -0.001 0.000 0.204 1509 Q C 1.286 177.321 176.000 0.058 0.000 0.962 1509 Q CA 0.732 56.529 55.803 -0.010 0.000 0.879 1509 Q CB -0.051 28.690 28.738 0.005 0.000 0.947 1509 Q HN 0.897 nan 8.270 nan 0.000 0.462 1510 G N 0.915 109.794 108.800 0.131 0.000 2.227 1510 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.168 1510 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.168 1510 G C -0.296 174.742 174.900 0.231 0.000 1.006 1510 G CA -0.682 44.564 45.100 0.244 0.000 0.684 1510 G HN 0.160 nan 8.290 nan 0.000 0.489 1511 R N 0.276 120.870 120.500 0.156 0.000 2.340 1511 R HA 0.612 4.951 4.340 -0.001 0.000 0.300 1511 R C 1.006 177.333 176.300 0.045 0.000 1.069 1511 R CA -0.344 55.837 56.100 0.136 0.000 0.984 1511 R CB 0.883 31.256 30.300 0.121 0.000 1.003 1511 R HN 0.189 nan 8.270 nan 0.000 0.459 1512 L N 2.427 123.624 121.223 -0.043 0.000 2.607 1512 L HA 0.233 4.573 4.340 -0.001 0.000 0.228 1512 L C -0.397 176.102 176.870 -0.617 0.000 1.123 1512 L CA 0.201 54.854 54.840 -0.313 0.000 0.890 1512 L CB 0.067 41.867 42.059 -0.432 0.000 1.103 1512 L HN 0.597 nan 8.230 nan 0.000 0.468 1513 Y N -1.680 118.562 120.300 -0.097 0.000 2.588 1513 Y HA 0.447 4.996 4.550 -0.001 0.000 0.343 1513 Y C -2.352 173.462 175.900 -0.143 0.000 1.065 1513 Y CA -2.733 55.225 58.100 -0.238 0.000 1.038 1513 Y CB 0.955 39.105 38.460 -0.516 0.000 1.297 1513 Y HN -0.235 nan 8.280 nan 0.000 0.467 1514 P HA 0.054 nan 4.420 nan 0.000 0.271 1514 P C -2.590 174.818 177.300 0.179 0.000 1.233 1514 P CA -0.965 62.189 63.100 0.089 0.000 0.789 1514 P CB -0.187 31.571 31.700 0.096 0.000 0.951 1515 P HA -0.003 nan 4.420 nan 0.000 0.268 1515 P C 0.691 178.106 177.300 0.192 0.000 1.205 1515 P CA -0.167 63.032 63.100 0.165 0.000 0.771 1515 P CB 0.572 32.333 31.700 0.103 0.000 0.858 1516 L N 4.079 125.408 121.223 0.177 0.000 2.079 1516 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 1516 L C 2.414 179.287 176.870 0.005 0.000 1.081 1516 L CA 2.130 57.007 54.840 0.062 0.000 0.752 1516 L CB -1.709 40.365 42.059 0.025 0.000 0.896 1516 L HN 0.498 nan 8.230 nan 0.000 0.433 1517 A N -1.209 121.630 122.820 0.031 0.000 2.186 1517 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 1517 A C 1.887 179.475 177.584 0.006 0.000 1.159 1517 A CA 1.651 53.695 52.037 0.012 0.000 0.680 1517 A CB -0.645 18.368 19.000 0.023 0.000 0.787 1517 A HN 0.660 nan 8.150 nan 0.000 0.467 1518 N N -1.076 117.639 118.700 0.025 0.000 2.205 1518 N HA 0.106 4.846 4.740 -0.001 0.000 0.201 1518 N C 1.232 176.748 175.510 0.011 0.000 1.128 1518 N CA 0.050 53.114 53.050 0.024 0.000 0.867 1518 N CB 0.201 38.718 38.487 0.050 0.000 0.996 1518 N HN 0.504 nan 8.380 nan 0.000 0.503 1519 I N 1.891 122.445 120.570 -0.027 0.000 2.290 1519 I HA -0.387 3.782 4.170 -0.001 0.000 0.253 1519 I C 1.957 178.024 176.117 -0.084 0.000 1.112 1519 I CA 1.642 62.887 61.300 -0.093 0.000 1.377 1519 I CB 0.322 38.169 38.000 -0.254 0.000 1.060 1519 I HN 0.095 nan 8.210 nan 0.000 0.428 1520 Q N 0.566 120.324 119.800 -0.069 0.000 1.967 1520 Q HA -0.273 4.066 4.340 -0.001 0.000 0.202 1520 Q C 2.062 178.036 176.000 -0.043 0.000 0.985 1520 Q CA 2.376 58.142 55.803 -0.061 0.000 0.839 1520 Q CB -0.424 28.285 28.738 -0.050 0.000 0.906 1520 Q HN 0.743 nan 8.270 nan 0.000 0.423 1521 E N -0.041 120.145 120.200 -0.025 0.000 2.150 1521 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 1521 E C 1.813 178.410 176.600 -0.004 0.000 0.985 1521 E CA 1.363 57.755 56.400 -0.014 0.000 0.814 1521 E CB -0.332 29.364 29.700 -0.006 0.000 0.752 1521 E HN 0.115 nan 8.360 nan 0.000 0.466 1522 V N 1.126 121.047 119.914 0.011 0.000 2.490 1522 V HA -0.234 3.885 4.120 -0.001 0.000 0.250 1522 V C 2.280 178.381 176.094 0.012 0.000 1.061 1522 V CA 1.862 64.184 62.300 0.036 0.000 1.064 1522 V CB -0.360 31.525 31.823 0.103 0.000 0.670 1522 V HN 0.306 nan 8.190 nan 0.000 0.461 1523 S N -0.031 115.654 115.700 -0.025 0.000 2.336 1523 S HA -0.053 4.417 4.470 -0.001 0.000 0.216 1523 S C 1.947 176.517 174.600 -0.049 0.000 1.032 1523 S CA 1.037 59.201 58.200 -0.060 0.000 0.973 1523 S CB -0.241 62.893 63.200 -0.110 0.000 0.888 1523 S HN 0.367 nan 8.310 nan 0.000 0.455 1524 I N 3.148 123.693 120.570 -0.043 0.000 2.248 1524 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 1524 I C 1.903 178.010 176.117 -0.017 0.000 1.107 1524 I CA 1.181 62.462 61.300 -0.033 0.000 1.373 1524 I CB -1.646 36.336 38.000 -0.030 0.000 1.055 1524 I HN 0.228 nan 8.210 nan 0.000 0.418 1525 N N 0.570 119.264 118.700 -0.010 0.000 2.188 1525 N HA -0.072 4.667 4.740 -0.001 0.000 0.184 1525 N C 1.993 177.502 175.510 -0.001 0.000 1.018 1525 N CA 1.028 54.077 53.050 -0.000 0.000 0.858 1525 N CB -0.159 38.331 38.487 0.005 0.000 0.989 1525 N HN 0.366 nan 8.380 nan 0.000 0.426 1526 I N 0.543 121.107 120.570 -0.011 0.000 2.353 1526 I HA -0.147 4.022 4.170 -0.001 0.000 0.248 1526 I C 2.142 178.242 176.117 -0.028 0.000 1.119 1526 I CA 0.590 61.877 61.300 -0.022 0.000 1.417 1526 I CB -0.148 37.833 38.000 -0.031 0.000 1.078 1526 I HN 0.041 nan 8.210 nan 0.000 0.421 1527 A N 1.056 123.859 122.820 -0.028 0.000 1.933 1527 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 1527 A C 2.249 179.848 177.584 0.025 0.000 1.175 1527 A CA 1.373 53.400 52.037 -0.016 0.000 0.628 1527 A CB -0.725 18.260 19.000 -0.024 0.000 0.814 1527 A HN 0.390 nan 8.150 nan 0.000 0.444 1528 I N -0.747 119.840 120.570 0.028 0.000 2.394 1528 I HA -0.213 3.956 4.170 -0.001 0.000 0.251 1528 I C 2.357 178.509 176.117 0.059 0.000 1.136 1528 I CA 1.091 62.423 61.300 0.054 0.000 1.425 1528 I CB -0.277 37.746 38.000 0.039 0.000 1.079 1528 I HN 0.240 nan 8.210 nan 0.000 0.425 1529 K N 0.625 121.047 120.400 0.036 0.000 2.057 1529 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 1529 K C 2.151 178.790 176.600 0.065 0.000 1.050 1529 K CA 1.109 57.420 56.287 0.040 0.000 0.935 1529 K CB -0.217 32.289 32.500 0.010 0.000 0.715 1529 K HN 0.202 nan 8.250 nan 0.000 0.439 1530 V N 1.329 121.265 119.914 0.038 0.000 2.427 1530 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 1530 V C 2.650 178.833 176.094 0.149 0.000 1.051 1530 V CA 2.219 64.552 62.300 0.055 0.000 1.048 1530 V CB -0.757 31.044 31.823 -0.037 0.000 0.666 1530 V HN 0.510 nan 8.190 nan 0.000 0.456 1531 T N -1.154 113.490 114.554 0.151 0.000 2.962 1531 T HA -0.168 4.181 4.350 -0.001 0.000 0.270 1531 T C 1.599 176.468 174.700 0.282 0.000 1.088 1531 T CA 1.641 63.880 62.100 0.232 0.000 1.127 1531 T CB -0.224 68.817 68.868 0.288 0.000 0.883 1531 T HN 0.637 nan 8.240 nan 0.000 0.493 1532 E N -0.741 119.575 120.200 0.194 0.000 2.112 1532 E HA -0.033 4.316 4.350 -0.001 0.000 0.190 1532 E C 1.767 178.472 176.600 0.175 0.000 0.979 1532 E CA 1.002 57.493 56.400 0.152 0.000 0.814 1532 E CB -0.237 29.521 29.700 0.098 0.000 0.762 1532 E HN 0.711 nan 8.360 nan 0.000 0.460 1533 Y N 1.637 121.970 120.300 0.055 0.000 2.163 1533 Y HA -0.165 4.384 4.550 -0.001 0.000 0.288 1533 Y C 1.996 177.914 175.900 0.029 0.000 1.136 1533 Y CA 1.229 59.348 58.100 0.032 0.000 1.147 1533 Y CB -0.204 38.262 38.460 0.010 0.000 0.987 1533 Y HN -0.089 nan 8.280 nan 0.000 0.509 1534 L N -0.962 120.349 121.223 0.148 0.000 1.971 1534 L HA -0.319 4.020 4.340 -0.001 0.000 0.215 1534 L C 2.308 179.095 176.870 -0.139 0.000 1.072 1534 L CA 2.027 56.855 54.840 -0.019 0.000 0.758 1534 L CB -0.960 41.107 42.059 0.013 0.000 0.889 1534 L HN 0.262 nan 8.230 nan 0.000 0.433 1535 Y N -0.451 119.793 120.300 -0.094 0.000 2.128 1535 Y HA -0.309 4.240 4.550 -0.001 0.000 0.284 1535 Y C 2.601 178.410 175.900 -0.152 0.000 1.154 1535 Y CA 1.429 59.450 58.100 -0.130 0.000 1.149 1535 Y CB -0.489 37.910 38.460 -0.101 0.000 0.976 1535 Y HN 0.190 nan 8.280 nan 0.000 0.505 1536 A N -0.036 122.800 122.820 0.027 0.000 2.024 1536 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 1536 A C 1.535 179.032 177.584 -0.145 0.000 1.164 1536 A CA 1.806 53.810 52.037 -0.055 0.000 0.643 1536 A CB -0.500 18.468 19.000 -0.054 0.000 0.806 1536 A HN 0.518 nan 8.150 nan 0.000 0.451 1537 N N 0.199 118.747 118.700 -0.253 0.000 2.273 1537 N HA 0.072 4.812 4.740 -0.001 0.000 0.231 1537 N C -0.691 174.695 175.510 -0.205 0.000 1.134 1537 N CA -0.048 52.838 53.050 -0.273 0.000 0.856 1537 N CB 0.385 38.587 38.487 -0.475 0.000 1.068 1537 N HN 0.215 nan 8.380 nan 0.000 0.510 1541 F N 0.171 119.987 119.950 -0.223 0.000 2.880 1541 F HA 0.304 4.830 4.527 -0.001 0.000 0.346 1541 F C 1.186 177.023 175.800 0.062 0.000 1.054 1541 F CA -0.228 57.735 58.000 -0.061 0.000 1.151 1541 F CB 0.462 39.448 39.000 -0.024 0.000 1.066 1541 F HN 0.596 nan 8.300 nan 0.000 0.566 1542 R N 2.179 122.793 120.500 0.190 0.000 2.640 1542 R HA 0.023 4.362 4.340 -0.001 0.000 0.270 1542 R C -1.217 175.281 176.300 0.330 0.000 1.024 1542 R CA 0.538 56.798 56.100 0.266 0.000 1.085 1542 R CB 0.091 30.545 30.300 0.257 0.000 0.963 1542 R HN 0.374 nan 8.270 nan 0.000 0.426 1543 Y N 1.850 122.227 120.300 0.128 0.000 2.504 1543 Y HA 0.609 5.158 4.550 -0.001 0.000 0.344 1543 Y C -2.581 173.362 175.900 0.072 0.000 1.023 1543 Y CA -2.177 55.980 58.100 0.096 0.000 1.020 1543 Y CB 0.918 39.429 38.460 0.085 0.000 1.282 1543 Y HN 0.525 nan 8.280 nan 0.000 0.454 1544 P HA 0.197 nan 4.420 nan 0.000 0.286 1544 P C -1.228 176.103 177.300 0.052 0.000 1.293 1544 P CA -0.684 62.497 63.100 0.135 0.000 0.770 1544 P CB 0.599 32.340 31.700 0.068 0.000 1.206 1545 E N 1.031 121.235 120.200 0.007 0.000 2.283 1545 E HA 0.196 4.545 4.350 -0.001 0.000 0.278 1545 E C -1.988 174.383 176.600 -0.382 0.000 1.027 1545 E CA -1.962 54.309 56.400 -0.214 0.000 0.843 1545 E CB 0.204 29.778 29.700 -0.210 0.000 1.062 1545 E HN 0.242 nan 8.360 nan 0.000 0.401 1546 P HA 0.027 nan 4.420 nan 0.000 0.276 1546 P C 0.102 177.195 177.300 -0.344 0.000 1.235 1546 P CA -0.040 62.775 63.100 -0.476 0.000 0.772 1546 P CB 1.391 32.663 31.700 -0.713 0.000 0.871 1547 E N 1.371 121.454 120.200 -0.195 0.000 2.015 1547 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 1547 E C 0.100 176.631 176.600 -0.116 0.000 0.991 1547 E CA 1.378 57.696 56.400 -0.137 0.000 0.802 1547 E CB -0.016 29.635 29.700 -0.082 0.000 0.759 1547 E HN 0.519 nan 8.360 nan 0.000 0.447 1548 D N 0.249 120.604 120.400 -0.076 0.000 2.443 1548 D HA 0.071 4.711 4.640 -0.001 0.000 0.221 1548 D C 0.486 176.781 176.300 -0.008 0.000 1.097 1548 D CA -0.170 53.808 54.000 -0.036 0.000 0.865 1548 D CB 0.969 41.763 40.800 -0.009 0.000 1.034 1548 D HN -0.250 nan 8.370 nan 0.000 0.511 1549 K N 2.593 122.981 120.400 -0.020 0.000 2.026 1549 K HA -0.014 4.305 4.320 -0.001 0.000 0.208 1549 K C 1.856 178.525 176.600 0.114 0.000 1.048 1549 K CA 1.461 57.775 56.287 0.045 0.000 0.929 1549 K CB -0.477 32.034 32.500 0.019 0.000 0.713 1549 K HN 0.466 nan 8.250 nan 0.000 0.439 1550 A N 1.222 124.077 122.820 0.059 0.000 1.892 1550 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 1550 A C 2.149 179.761 177.584 0.048 0.000 1.188 1550 A CA 2.241 54.306 52.037 0.046 0.000 0.631 1550 A CB -0.582 18.432 19.000 0.023 0.000 0.822 1550 A HN 0.349 nan 8.150 nan 0.000 0.447 1551 K N -1.946 118.484 120.400 0.050 0.000 2.097 1551 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 1551 K C 1.934 178.578 176.600 0.074 0.000 1.049 1551 K CA 1.746 58.060 56.287 0.044 0.000 0.933 1551 K CB -0.367 32.156 32.500 0.037 0.000 0.717 1551 K HN 0.554 nan 8.250 nan 0.000 0.442 1552 Y N 1.084 121.370 120.300 -0.022 0.000 2.181 1552 Y HA -0.210 4.340 4.550 -0.001 0.000 0.288 1552 Y C 1.783 177.683 175.900 -0.001 0.000 1.146 1552 Y CA 1.447 59.538 58.100 -0.015 0.000 1.164 1552 Y CB -0.251 38.194 38.460 -0.024 0.000 0.982 1552 Y HN -0.153 nan 8.280 nan 0.000 0.515 1553 V N 0.532 120.405 119.914 -0.068 0.000 2.283 1553 V HA -0.253 3.866 4.120 -0.001 0.000 0.243 1553 V C 2.198 178.215 176.094 -0.128 0.000 1.039 1553 V CA 2.233 64.440 62.300 -0.156 0.000 1.016 1553 V CB -0.621 31.191 31.823 -0.018 0.000 0.650 1553 V HN 0.250 nan 8.190 nan 0.000 0.449 1554 K N 0.025 120.387 120.400 -0.063 0.000 2.160 1554 K HA -0.243 4.076 4.320 -0.001 0.000 0.206 1554 K C 2.096 178.654 176.600 -0.071 0.000 1.047 1554 K CA 1.787 58.041 56.287 -0.055 0.000 0.930 1554 K CB -0.186 32.295 32.500 -0.032 0.000 0.720 1554 K HN 0.502 nan 8.250 nan 0.000 0.450 1555 E N 0.142 120.292 120.200 -0.083 0.000 2.274 1555 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 1555 E C 1.249 177.785 176.600 -0.106 0.000 0.996 1555 E CA 0.664 57.016 56.400 -0.081 0.000 0.840 1555 E CB 0.245 29.909 29.700 -0.060 0.000 0.772 1555 E HN 0.131 nan 8.360 nan 0.000 0.491 1556 R N 0.218 120.623 120.500 -0.158 0.000 2.427 1556 R HA 0.072 4.411 4.340 -0.001 0.000 0.262 1556 R C -0.242 176.010 176.300 -0.080 0.000 0.943 1556 R CA 0.052 56.063 56.100 -0.148 0.000 1.081 1556 R CB 0.775 30.916 30.300 -0.265 0.000 1.166 1556 R HN 0.020 nan 8.270 nan 0.000 0.534 1557 T N -1.842 112.677 114.554 -0.059 0.000 2.889 1557 T HA 0.131 4.481 4.350 -0.001 0.000 0.291 1557 T C -0.415 174.309 174.700 0.040 0.000 0.995 1557 T CA -0.774 61.320 62.100 -0.009 0.000 1.092 1557 T CB 1.342 70.193 68.868 -0.029 0.000 0.954 1557 T HN 0.202 nan 8.240 nan 0.000 0.506 1558 W N 3.666 124.900 121.300 -0.109 0.000 2.218 1558 W HA 0.421 5.080 4.660 -0.001 0.000 0.326 1558 W C -0.086 176.362 176.519 -0.119 0.000 1.276 1558 W CA -0.809 56.468 57.345 -0.113 0.000 1.210 1558 W CB 0.621 30.002 29.460 -0.133 0.000 1.143 1558 W HN 0.541 nan 8.180 nan 0.000 0.563 1559 R N 3.191 123.206 120.500 -0.808 0.000 2.778 1559 R HA 0.241 4.580 4.340 -0.001 0.000 0.277 1559 R C 0.661 176.154 176.300 -1.345 0.000 0.977 1559 R CA -0.386 55.254 56.100 -0.768 0.000 0.950 1559 R CB 1.239 31.264 30.300 -0.459 0.000 1.165 1559 R HN 0.635 nan 8.270 nan 0.000 0.474 1560 S N -0.699 114.496 115.700 -0.842 0.000 2.650 1560 S HA 0.038 4.507 4.470 -0.001 0.000 0.219 1560 S C 0.045 174.310 174.600 -0.559 0.000 0.960 1560 S CA -0.138 57.641 58.200 -0.702 0.000 0.925 1560 S CB -0.084 62.954 63.200 -0.269 0.000 0.775 1560 S HN 0.426 nan 8.310 nan 0.000 0.525 1561 E N 1.697 121.594 120.200 -0.505 0.000 2.313 1561 E HA 0.360 4.709 4.350 -0.001 0.000 0.276 1561 E C -0.582 175.833 176.600 -0.309 0.000 1.031 1561 E CA -0.510 55.670 56.400 -0.366 0.000 0.857 1561 E CB 0.167 29.722 29.700 -0.241 0.000 1.040 1561 E HN 0.468 nan 8.360 nan 0.000 0.408 1562 Y N 1.405 121.614 120.300 -0.152 0.000 2.683 1562 Y HA -0.008 4.542 4.550 -0.001 0.000 0.340 1562 Y C 0.722 176.554 175.900 -0.112 0.000 1.245 1562 Y CA 0.372 58.395 58.100 -0.129 0.000 1.485 1562 Y CB 0.652 39.036 38.460 -0.125 0.000 1.328 1562 Y HN 0.351 nan 8.280 nan 0.000 0.603 1563 D N 0.399 120.862 120.400 0.105 0.000 2.269 1563 D HA 0.115 4.754 4.640 -0.001 0.000 0.244 1563 D C -0.775 175.552 176.300 0.044 0.000 0.992 1563 D CA -0.523 53.502 54.000 0.041 0.000 0.894 1563 D CB 1.927 42.745 40.800 0.030 0.000 1.248 1563 D HN 0.344 nan 8.370 nan 0.000 0.468 1564 S N 0.784 116.503 115.700 0.032 0.000 2.531 1564 S HA 0.156 4.625 4.470 -0.001 0.000 0.279 1564 S C 0.966 175.596 174.600 0.050 0.000 1.305 1564 S CA -0.362 57.859 58.200 0.035 0.000 1.058 1564 S CB 0.083 63.301 63.200 0.030 0.000 0.899 1564 S HN 0.314 nan 8.310 nan 0.000 0.493 1565 L N 5.291 126.555 121.223 0.068 0.000 2.741 1565 L HA 0.333 4.673 4.340 -0.001 0.000 0.237 1565 L C -0.063 176.848 176.870 0.070 0.000 1.178 1565 L CA -0.148 54.743 54.840 0.085 0.000 0.973 1565 L CB -0.192 41.950 42.059 0.139 0.000 1.255 1565 L HN 0.469 nan 8.230 nan 0.000 0.498 1566 L N 2.067 123.323 121.223 0.056 0.000 2.397 1566 L HA 0.248 4.587 4.340 -0.001 0.000 0.271 1566 L C -1.436 175.458 176.870 0.040 0.000 1.148 1566 L CA -1.572 53.293 54.840 0.043 0.000 0.825 1566 L CB 0.338 42.419 42.059 0.038 0.000 1.117 1566 L HN -0.007 nan 8.230 nan 0.000 0.456 1567 P HA 0.030 nan 4.420 nan 0.000 0.272 1567 P C -1.015 176.313 177.300 0.046 0.000 1.230 1567 P CA -0.454 62.663 63.100 0.028 0.000 0.788 1567 P CB 0.635 32.337 31.700 0.004 0.000 0.949 1568 D N 1.092 121.536 120.400 0.073 0.000 2.470 1568 D HA 0.176 4.815 4.640 -0.001 0.000 0.226 1568 D C -0.539 175.855 176.300 0.157 0.000 1.196 1568 D CA -0.108 53.978 54.000 0.144 0.000 0.979 1568 D CB -0.444 40.473 40.800 0.194 0.000 1.059 1568 D HN -0.047 nan 8.370 nan 0.000 0.515 1569 V N 5.190 125.160 119.914 0.093 0.000 2.407 1569 V HA 0.481 4.600 4.120 -0.001 0.000 0.278 1569 V C -0.259 175.892 176.094 0.094 0.000 1.037 1569 V CA -0.592 61.693 62.300 -0.026 0.000 0.900 1569 V CB 0.316 32.111 31.823 -0.046 0.000 0.983 1569 V HN 0.359 nan 8.190 nan 0.000 0.459 1570 Y N 0.693 120.977 120.300 -0.027 0.000 2.592 1570 Y HA 0.687 5.236 4.550 -0.001 0.000 0.334 1570 Y C -0.598 175.310 175.900 0.014 0.000 1.136 1570 Y CA -1.398 56.709 58.100 0.012 0.000 1.042 1570 Y CB 1.219 39.712 38.460 0.054 0.000 1.325 1570 Y HN 0.555 nan 8.280 nan 0.000 0.457 1571 E N 1.366 121.706 120.200 0.233 0.000 2.366 1571 E HA 0.192 4.541 4.350 -0.001 0.000 0.266 1571 E C -1.490 175.361 176.600 0.418 0.000 1.051 1571 E CA -0.403 56.113 56.400 0.193 0.000 0.884 1571 E CB 0.621 30.413 29.700 0.153 0.000 1.006 1571 E HN 0.573 nan 8.360 nan 0.000 0.417 1572 W N 3.192 124.540 121.300 0.079 0.000 2.551 1572 W HA 0.350 5.009 4.660 -0.001 0.000 0.330 1572 W C -1.588 174.967 176.519 0.060 0.000 1.063 1572 W CA -2.282 55.118 57.345 0.092 0.000 1.222 1572 W CB 0.070 29.560 29.460 0.049 0.000 1.349 1572 W HN 0.576 nan 8.180 nan 0.000 0.536 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.142 63.100 0.071 0.000 0.800 1573 P CB 0.000 31.693 31.700 -0.012 0.000 0.726