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 2hrr_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.721 174.600 0.201 0.000 1.055 1021 S CA 0.000 58.254 58.200 0.090 0.000 1.107 1021 S CB 0.000 63.222 63.200 0.037 0.000 0.593 1022 S N 1.733 117.589 115.700 0.260 0.000 2.593 1022 S HA 0.826 5.297 4.470 0.001 0.000 0.297 1022 S C -2.933 171.764 174.600 0.162 0.000 1.112 1022 S CA -1.264 57.042 58.200 0.177 0.000 1.043 1022 S CB 0.691 63.959 63.200 0.114 0.000 1.054 1022 S HN 0.251 nan 8.310 nan 0.000 0.516 1023 P HA 0.188 nan 4.420 nan 0.000 0.264 1023 P C -2.472 174.679 177.300 -0.249 0.000 1.183 1023 P CA -0.755 62.214 63.100 -0.218 0.000 0.763 1023 P CB -0.149 31.461 31.700 -0.150 0.000 0.807 1024 P HA 0.063 nan 4.420 nan 0.000 0.276 1024 P C -0.917 176.381 177.300 -0.003 0.000 1.235 1024 P CA 0.192 63.148 63.100 -0.241 0.000 0.772 1024 P CB 0.692 32.157 31.700 -0.391 0.000 0.871 1025 V N 5.003 124.964 119.914 0.079 0.000 2.378 1025 V HA 0.223 4.344 4.120 0.001 0.000 0.288 1025 V C 0.326 176.468 176.094 0.079 0.000 1.016 1025 V CA -0.651 61.721 62.300 0.121 0.000 0.840 1025 V CB 1.965 33.839 31.823 0.085 0.000 0.994 1025 V HN 0.296 nan 8.190 nan 0.000 0.431 1026 V N 3.674 123.621 119.914 0.054 0.000 2.513 1026 V HA 0.411 4.531 4.120 0.001 0.000 0.299 1026 V C -0.394 175.635 176.094 -0.108 0.000 1.035 1026 V CA -0.615 61.573 62.300 -0.187 0.000 0.889 1026 V CB 2.167 33.556 31.823 -0.723 0.000 0.988 1026 V HN 0.937 nan 8.190 nan 0.000 0.440 1027 D N 3.334 123.659 120.400 -0.124 0.000 2.317 1027 D HA 0.461 5.101 4.640 0.001 0.000 0.234 1027 D C 0.289 176.530 176.300 -0.098 0.000 1.112 1027 D CA -0.037 53.924 54.000 -0.064 0.000 0.840 1027 D CB 1.280 42.044 40.800 -0.061 0.000 1.078 1027 D HN 0.748 nan 8.370 nan 0.000 0.486 1028 T N -0.241 114.298 114.554 -0.024 0.000 2.922 1028 T HA 0.285 4.635 4.350 0.001 0.000 0.281 1028 T C 1.449 176.058 174.700 -0.151 0.000 1.005 1028 T CA -0.683 61.394 62.100 -0.039 0.000 0.982 1028 T CB 0.854 69.840 68.868 0.197 0.000 1.158 1028 T HN 0.056 nan 8.240 nan 0.000 0.566 1029 V N 1.056 120.823 119.914 -0.245 0.000 2.332 1029 V HA -0.143 3.978 4.120 0.001 0.000 0.248 1029 V C 2.416 178.297 176.094 -0.356 0.000 1.055 1029 V CA 1.703 63.806 62.300 -0.330 0.000 1.038 1029 V CB -1.138 30.408 31.823 -0.461 0.000 0.651 1029 V HN 0.852 nan 8.190 nan 0.000 0.450 1030 H N -0.196 118.700 119.070 -0.290 0.000 2.548 1030 H HA 0.463 5.019 4.556 0.001 0.000 0.265 1030 H C 0.969 175.528 175.328 -1.281 0.000 0.969 1030 H CA 0.832 56.506 56.048 -0.623 0.000 1.155 1030 H CB 0.406 29.837 29.762 -0.552 0.000 1.394 1030 H HN 0.535 nan 8.280 nan 0.000 0.570 1031 G N 0.037 108.338 108.800 -0.832 0.000 2.361 1031 G HA2 0.030 3.990 3.960 0.001 0.000 0.305 1031 G HA3 0.030 3.990 3.960 0.001 0.000 0.305 1031 G C -1.277 173.629 174.900 0.009 0.000 1.367 1031 G CA -1.137 43.470 45.100 -0.822 0.000 0.951 1031 G HN 0.023 nan 8.290 nan 0.000 0.615 1032 K N -0.689 119.876 120.400 0.274 0.000 2.237 1032 K HA 0.607 4.928 4.320 0.001 0.000 0.270 1032 K C -0.332 176.607 176.600 0.566 0.000 1.015 1032 K CA -0.462 56.035 56.287 0.351 0.000 0.949 1032 K CB 1.725 34.367 32.500 0.237 0.000 0.976 1032 K HN 0.347 nan 8.250 nan 0.000 0.472 1033 V N 3.245 123.393 119.914 0.389 0.000 2.709 1033 V HA 0.287 4.408 4.120 0.001 0.000 0.308 1033 V C -0.969 175.339 176.094 0.357 0.000 1.062 1033 V CA -1.027 61.509 62.300 0.393 0.000 0.901 1033 V CB 1.949 34.059 31.823 0.478 0.000 1.003 1033 V HN 0.567 nan 8.190 nan 0.000 0.425 1034 L N 4.177 125.560 121.223 0.267 0.000 2.319 1034 L HA 0.856 5.197 4.340 0.001 0.000 0.281 1034 L C 0.224 177.096 176.870 0.005 0.000 1.005 1034 L CA 0.396 55.319 54.840 0.138 0.000 0.828 1034 L CB 0.917 43.007 42.059 0.051 0.000 1.227 1034 L HN 0.800 nan 8.230 nan 0.000 0.415 1035 G N 5.207 113.829 108.800 -0.296 0.000 2.990 1035 G HA2 0.602 4.563 3.960 0.001 0.000 0.208 1035 G HA3 0.602 4.563 3.960 0.001 0.000 0.208 1035 G C -1.097 173.429 174.900 -0.624 0.000 1.334 1035 G CA -0.485 44.143 45.100 -0.787 0.000 1.024 1035 G HN 0.717 nan 8.290 nan 0.000 0.574 1036 K N -1.437 118.565 120.400 -0.663 0.000 2.509 1036 K HA 0.587 4.908 4.320 0.001 0.000 0.266 1036 K C -1.729 174.615 176.600 -0.427 0.000 0.987 1036 K CA -0.865 55.146 56.287 -0.460 0.000 0.868 1036 K CB 1.839 34.192 32.500 -0.245 0.000 1.421 1036 K HN 0.322 nan 8.250 nan 0.000 0.444 1037 F N 0.709 120.603 119.950 -0.093 0.000 2.397 1037 F HA 0.507 5.034 4.527 0.001 0.000 0.331 1037 F C -0.361 175.433 175.800 -0.010 0.000 1.090 1037 F CA -0.922 57.055 58.000 -0.039 0.000 1.065 1037 F CB 2.200 41.193 39.000 -0.013 0.000 1.184 1037 F HN 0.070 nan 8.300 nan 0.000 0.499 1038 V N 2.259 122.329 119.914 0.259 0.000 2.610 1038 V HA 0.209 4.329 4.120 0.001 0.000 0.298 1038 V C -0.736 175.437 176.094 0.132 0.000 1.067 1038 V CA -0.828 61.567 62.300 0.159 0.000 0.894 1038 V CB 1.700 33.606 31.823 0.138 0.000 1.015 1038 V HN 0.752 nan 8.190 nan 0.000 0.432 1039 S N 4.577 120.337 115.700 0.100 0.000 2.585 1039 S HA 0.765 5.235 4.470 0.001 0.000 0.277 1039 S C -0.556 174.099 174.600 0.092 0.000 1.241 1039 S CA -0.413 57.837 58.200 0.082 0.000 1.041 1039 S CB 1.633 64.871 63.200 0.063 0.000 0.987 1039 S HN 0.557 nan 8.310 nan 0.000 0.512 1040 L N 2.346 123.631 121.223 0.103 0.000 2.346 1040 L HA 0.436 4.777 4.340 0.001 0.000 0.276 1040 L C -0.223 176.783 176.870 0.226 0.000 1.006 1040 L CA -0.339 54.579 54.840 0.130 0.000 0.817 1040 L CB 1.325 43.401 42.059 0.030 0.000 1.272 1040 L HN 0.630 nan 8.230 nan 0.000 0.421 1041 E N 3.440 123.760 120.200 0.200 0.000 2.529 1041 E HA 0.320 4.670 4.350 0.001 0.000 0.259 1041 E C 0.752 177.469 176.600 0.195 0.000 0.966 1041 E CA 1.134 57.636 56.400 0.169 0.000 0.937 1041 E CB 0.212 30.000 29.700 0.147 0.000 0.923 1041 E HN 0.943 nan 8.360 nan 0.000 0.468 1042 G N 2.888 111.708 108.800 0.032 0.000 2.176 1042 G HA2 -0.248 3.712 3.960 0.001 0.000 0.232 1042 G HA3 -0.248 3.712 3.960 0.001 0.000 0.232 1042 G C -0.332 174.133 174.900 -0.724 0.000 0.986 1042 G CA -0.499 44.432 45.100 -0.281 0.000 0.643 1042 G HN 0.399 nan 8.290 nan 0.000 0.522 1043 F N -0.485 119.421 119.950 -0.072 0.000 2.585 1043 F HA 0.719 5.246 4.527 0.001 0.000 0.319 1043 F C 1.006 176.776 175.800 -0.050 0.000 1.165 1043 F CA -0.239 57.716 58.000 -0.075 0.000 0.949 1043 F CB 1.423 40.363 39.000 -0.100 0.000 1.218 1043 F HN 0.107 nan 8.300 nan 0.000 0.453 1044 A N 1.489 124.353 122.820 0.072 0.000 1.854 1044 A HA -0.099 4.221 4.320 0.001 0.000 0.214 1044 A C 1.165 178.764 177.584 0.026 0.000 1.192 1044 A CA 0.959 53.013 52.037 0.028 0.000 0.611 1044 A CB -0.453 18.545 19.000 -0.003 0.000 0.832 1044 A HN 0.665 nan 8.150 nan 0.000 0.442 1045 Q N 1.286 121.114 119.800 0.046 0.000 2.262 1045 Q HA 0.277 4.617 4.340 0.001 0.000 0.272 1045 Q C -2.590 173.413 176.000 0.005 0.000 1.076 1045 Q CA -1.964 53.844 55.803 0.007 0.000 0.905 1045 Q CB 0.038 28.799 28.738 0.040 0.000 1.182 1045 Q HN 0.256 nan 8.270 nan 0.000 0.390 1046 P HA -0.000 nan 4.420 nan 0.000 0.269 1046 P C -1.106 176.256 177.300 0.103 0.000 1.215 1046 P CA -0.243 62.826 63.100 -0.051 0.000 0.780 1046 P CB 0.678 32.181 31.700 -0.329 0.000 0.898 1047 V N 1.914 121.940 119.914 0.187 0.000 2.439 1047 V HA 0.487 4.607 4.120 0.001 0.000 0.282 1047 V C 0.437 176.737 176.094 0.344 0.000 1.039 1047 V CA -0.604 61.839 62.300 0.239 0.000 0.913 1047 V CB 1.011 32.939 31.823 0.175 0.000 0.983 1047 V HN 0.643 nan 8.190 nan 0.000 0.460 1048 A N 6.811 129.842 122.820 0.352 0.000 2.276 1048 A HA 0.743 5.063 4.320 0.001 0.000 0.300 1048 A C -0.420 177.223 177.584 0.099 0.000 1.235 1048 A CA -0.313 51.830 52.037 0.176 0.000 0.867 1048 A CB -0.048 19.137 19.000 0.309 0.000 1.137 1048 A HN 0.766 nan 8.150 nan 0.000 0.527 1049 I N 2.330 122.785 120.570 -0.192 0.000 2.404 1049 I HA 0.422 4.593 4.170 0.001 0.000 0.293 1049 I C -1.245 174.585 176.117 -0.479 0.000 0.992 1049 I CA -0.302 60.869 61.300 -0.215 0.000 1.149 1049 I CB 1.524 39.445 38.000 -0.132 0.000 1.315 1049 I HN 0.524 nan 8.210 nan 0.000 0.446 1050 F N 6.419 126.263 119.950 -0.177 0.000 2.460 1050 F HA 0.532 5.059 4.527 0.000 0.000 0.341 1050 F C -0.284 175.396 175.800 -0.199 0.000 1.130 1050 F CA -0.530 57.408 58.000 -0.103 0.000 0.962 1050 F CB 1.326 40.374 39.000 0.079 0.000 1.171 1050 F HN 0.120 nan 8.300 nan 0.000 0.436 1051 L N 2.406 123.570 121.223 -0.097 0.000 2.325 1051 L HA 0.700 5.040 4.340 0.001 0.000 0.278 1051 L C 0.716 177.509 176.870 -0.128 0.000 1.023 1051 L CA -1.060 53.677 54.840 -0.173 0.000 0.811 1051 L CB 1.661 43.486 42.059 -0.389 0.000 1.249 1051 L HN 0.869 nan 8.230 nan 0.000 0.431 1052 G N 3.634 112.377 108.800 -0.096 0.000 2.370 1052 G HA2 -0.244 3.716 3.960 0.001 0.000 0.295 1052 G HA3 -0.244 3.716 3.960 0.001 0.000 0.295 1052 G C -0.377 174.530 174.900 0.010 0.000 1.045 1052 G CA -0.311 44.707 45.100 -0.137 0.000 1.199 1052 G HN 0.468 nan 8.290 nan 0.000 0.513 1053 I N 2.319 122.937 120.570 0.081 0.000 2.315 1053 I HA 0.264 4.434 4.170 0.001 0.000 0.291 1053 I C -1.585 174.547 176.117 0.025 0.000 1.006 1053 I CA -2.418 58.904 61.300 0.037 0.000 1.265 1053 I CB 1.714 39.670 38.000 -0.073 0.000 1.387 1053 I HN 0.054 nan 8.210 nan 0.000 0.475 1054 P HA 0.033 nan 4.420 nan 0.000 0.276 1054 P C -0.205 176.941 177.300 -0.256 0.000 1.243 1054 P CA -0.024 62.894 63.100 -0.304 0.000 0.768 1054 P CB 0.466 32.032 31.700 -0.224 0.000 0.856 1055 F N 1.683 121.403 119.950 -0.383 0.000 2.682 1055 F HA 0.739 5.266 4.527 0.001 0.000 0.308 1055 F C -0.037 175.730 175.800 -0.055 0.000 1.093 1055 F CA -1.131 56.665 58.000 -0.339 0.000 1.244 1055 F CB 0.102 38.820 39.000 -0.469 0.000 1.052 1055 F HN 0.383 nan 8.300 nan 0.000 0.573 1056 A N 0.500 123.057 122.820 -0.437 0.000 2.601 1056 A HA 0.492 4.812 4.320 0.001 0.000 0.291 1056 A C -1.287 176.115 177.584 -0.303 0.000 1.075 1056 A CA -1.138 50.735 52.037 -0.272 0.000 0.671 1056 A CB 0.834 19.629 19.000 -0.342 0.000 1.277 1056 A HN 0.206 nan 8.150 nan 0.000 0.417 1057 K N 0.751 121.046 120.400 -0.176 0.000 2.326 1057 K HA 0.423 4.743 4.320 0.001 0.000 0.275 1057 K C -2.436 174.042 176.600 -0.204 0.000 1.018 1057 K CA -1.429 54.764 56.287 -0.158 0.000 0.962 1057 K CB 0.345 32.790 32.500 -0.092 0.000 0.953 1057 K HN 0.335 nan 8.250 nan 0.000 0.475 1058 P HA -0.017 nan 4.420 nan 0.000 0.262 1058 P C -2.397 174.811 177.300 -0.153 0.000 1.199 1058 P CA -0.847 62.138 63.100 -0.191 0.000 0.763 1058 P CB 0.261 31.882 31.700 -0.131 0.000 0.790 1059 P HA 0.054 nan 4.420 nan 0.000 0.225 1059 P C -0.578 176.636 177.300 -0.145 0.000 1.768 1059 P CA 0.408 63.416 63.100 -0.153 0.000 0.943 1059 P CB -0.011 31.595 31.700 -0.157 0.000 1.936 1060 L N -0.367 120.785 121.223 -0.119 0.000 2.400 1060 L HA 0.563 4.904 4.340 0.001 0.000 0.264 1060 L C 1.797 178.607 176.870 -0.099 0.000 1.061 1060 L CA -0.306 54.475 54.840 -0.098 0.000 0.799 1060 L CB 0.146 42.160 42.059 -0.074 0.000 1.240 1060 L HN 0.264 nan 8.230 nan 0.000 0.461 1061 G N 1.239 109.988 108.800 -0.085 0.000 2.685 1061 G HA2 -0.305 3.655 3.960 0.001 0.000 0.329 1061 G HA3 -0.305 3.655 3.960 0.001 0.000 0.329 1061 G C -1.193 173.652 174.900 -0.092 0.000 1.271 1061 G CA 0.472 45.526 45.100 -0.078 0.000 1.003 1061 G HN 0.635 nan 8.290 nan 0.000 0.549 1062 P HA 0.030 nan 4.420 nan 0.000 0.222 1062 P C 2.110 179.360 177.300 -0.084 0.000 1.147 1062 P CA 1.389 64.460 63.100 -0.049 0.000 0.790 1062 P CB -0.105 31.584 31.700 -0.019 0.000 0.780 1063 L N -1.008 120.149 121.223 -0.110 0.000 2.465 1063 L HA 0.008 4.348 4.340 0.001 0.000 0.224 1063 L C 1.849 178.572 176.870 -0.245 0.000 1.145 1063 L CA 0.155 54.908 54.840 -0.145 0.000 0.834 1063 L CB -0.516 41.470 42.059 -0.122 0.000 0.944 1063 L HN -0.026 nan 8.230 nan 0.000 0.451 1064 R N 0.501 120.821 120.500 -0.299 0.000 2.537 1064 R HA -0.033 4.307 4.340 0.001 0.000 0.280 1064 R C -0.225 175.685 176.300 -0.650 0.000 1.058 1064 R CA -0.067 55.694 56.100 -0.565 0.000 1.057 1064 R CB 0.216 30.111 30.300 -0.676 0.000 0.973 1064 R HN 0.064 nan 8.270 nan 0.000 0.438 1065 F N 0.044 119.650 119.950 -0.574 0.000 2.999 1065 F HA -0.261 4.266 4.527 0.000 0.000 0.291 1065 F C -0.002 174.851 175.800 -1.578 0.000 0.824 1065 F CA 1.286 58.618 58.000 -1.113 0.000 1.255 1065 F CB -2.619 36.164 39.000 -0.362 0.000 1.333 1065 F HN 0.653 nan 8.300 nan 0.000 0.502 1066 T N -3.579 110.292 114.554 -1.138 0.000 2.896 1066 T HA 0.778 5.128 4.350 0.001 0.000 0.297 1066 T C -2.966 171.538 174.700 -0.328 0.000 1.108 1066 T CA -2.512 59.155 62.100 -0.723 0.000 1.004 1066 T CB 3.246 71.955 68.868 -0.266 0.000 1.159 1066 T HN -0.253 nan 8.240 nan 0.000 0.499 1067 P HA 0.217 nan 4.420 nan 0.000 0.267 1067 P C -2.313 175.054 177.300 0.113 0.000 1.200 1067 P CA -0.817 62.432 63.100 0.248 0.000 0.772 1067 P CB -0.326 31.521 31.700 0.245 0.000 0.855 1068 P HA 0.034 nan 4.420 nan 0.000 0.268 1068 P C -0.745 176.604 177.300 0.081 0.000 1.204 1068 P CA 0.280 63.431 63.100 0.086 0.000 0.768 1068 P CB 0.770 32.561 31.700 0.152 0.000 0.842 1069 Q N 3.371 123.190 119.800 0.031 0.000 2.248 1069 Q HA 0.435 4.775 4.340 0.001 0.000 0.263 1069 Q C -2.273 173.754 176.000 0.045 0.000 1.007 1069 Q CA -2.240 53.586 55.803 0.039 0.000 0.877 1069 Q CB 0.556 29.299 28.738 0.008 0.000 1.315 1069 Q HN 0.359 nan 8.270 nan 0.000 0.454 1070 P HA -0.062 nan 4.420 nan 0.000 0.266 1070 P C -1.144 176.151 177.300 -0.007 0.000 1.195 1070 P CA 0.300 63.461 63.100 0.102 0.000 0.768 1070 P CB 0.468 32.244 31.700 0.126 0.000 0.838 1071 A N 3.219 126.015 122.820 -0.038 0.000 2.425 1071 A HA 0.153 4.474 4.320 0.001 0.000 0.242 1071 A C 0.407 177.821 177.584 -0.284 0.000 1.077 1071 A CA -0.237 51.726 52.037 -0.123 0.000 0.781 1071 A CB -0.020 18.972 19.000 -0.014 0.000 1.020 1071 A HN 0.448 nan 8.150 nan 0.000 0.494 1072 E N 1.861 121.986 120.200 -0.125 0.000 2.354 1072 E HA 0.297 4.647 4.350 0.001 0.000 0.269 1072 E C -2.204 174.357 176.600 -0.066 0.000 1.036 1072 E CA -1.620 54.720 56.400 -0.101 0.000 0.876 1072 E CB 0.298 29.997 29.700 -0.002 0.000 1.009 1072 E HN 0.472 nan 8.360 nan 0.000 0.416 1073 P HA 0.147 nan 4.420 nan 0.000 0.275 1073 P C -0.810 176.501 177.300 0.017 0.000 1.228 1073 P CA -0.362 62.631 63.100 -0.179 0.000 0.786 1073 P CB 0.314 31.928 31.700 -0.143 0.000 0.927 1074 W N 0.580 121.900 121.300 0.033 0.000 2.639 1074 W HA 0.589 5.249 4.660 0.000 0.000 0.347 1074 W C 0.706 177.194 176.519 -0.051 0.000 1.067 1074 W CA -0.700 56.653 57.345 0.012 0.000 1.218 1074 W CB -0.187 29.308 29.460 0.059 0.000 1.393 1074 W HN 0.137 nan 8.180 nan 0.000 0.557 1075 S N 0.677 116.413 115.700 0.060 0.000 2.387 1075 S HA 0.009 4.479 4.470 0.001 0.000 0.226 1075 S C 0.580 174.845 174.600 -0.558 0.000 1.026 1075 S CA 0.925 58.905 58.200 -0.367 0.000 0.972 1075 S CB -0.296 62.511 63.200 -0.655 0.000 0.814 1075 S HN 0.475 nan 8.310 nan 0.000 0.477 1076 F N -0.083 120.009 119.950 0.237 0.000 2.914 1076 F HA 0.461 4.988 4.527 0.000 0.000 0.151 1076 F C -0.019 175.945 175.800 0.273 0.000 1.533 1076 F CA -0.916 57.200 58.000 0.192 0.000 0.998 1076 F CB -0.176 38.898 39.000 0.124 0.000 1.957 1076 F HN -0.317 nan 8.300 nan 0.000 0.325 1077 V N 1.520 121.700 119.914 0.444 0.000 2.311 1077 V HA 0.252 4.372 4.120 0.001 0.000 0.275 1077 V C -0.239 175.977 176.094 0.204 0.000 1.022 1077 V CA -1.074 61.415 62.300 0.314 0.000 0.830 1077 V CB 0.781 32.729 31.823 0.208 0.000 1.012 1077 V HN 0.355 nan 8.190 nan 0.000 0.452 1078 K N 4.286 124.765 120.400 0.132 0.000 2.298 1078 K HA 0.159 4.479 4.320 0.001 0.000 0.280 1078 K C 0.122 176.687 176.600 -0.059 0.000 1.032 1078 K CA -0.376 55.809 56.287 -0.170 0.000 0.958 1078 K CB 0.502 32.542 32.500 -0.766 0.000 0.978 1078 K HN 0.630 nan 8.250 nan 0.000 0.472 1079 N N 2.906 121.554 118.700 -0.087 0.000 2.420 1079 N HA 0.143 4.884 4.740 0.001 0.000 0.249 1079 N C -1.285 174.169 175.510 -0.093 0.000 1.033 1079 N CA -0.073 52.938 53.050 -0.065 0.000 0.944 1079 N CB 1.277 39.720 38.487 -0.073 0.000 1.113 1079 N HN 0.622 nan 8.380 nan 0.000 0.502 1080 A N 2.900 125.693 122.820 -0.045 0.000 3.249 1080 A HA 0.221 4.542 4.320 0.001 0.000 0.297 1080 A C 0.829 178.336 177.584 -0.129 0.000 1.302 1080 A CA -0.483 51.522 52.037 -0.053 0.000 1.074 1080 A CB -0.580 18.483 19.000 0.105 0.000 1.132 1080 A HN 0.601 nan 8.150 nan 0.000 0.575 1081 T N -3.379 111.071 114.554 -0.175 0.000 3.200 1081 T HA 0.387 4.738 4.350 0.001 0.000 0.284 1081 T C 0.246 174.784 174.700 -0.271 0.000 1.009 1081 T CA -0.017 61.949 62.100 -0.225 0.000 0.907 1081 T CB -0.026 68.735 68.868 -0.179 0.000 1.120 1081 T HN 0.180 nan 8.240 nan 0.000 0.534 1082 S N 0.478 116.007 115.700 -0.286 0.000 2.548 1082 S HA 0.625 5.095 4.470 0.001 0.000 0.286 1082 S C -1.377 173.017 174.600 -0.345 0.000 1.098 1082 S CA -0.785 57.243 58.200 -0.287 0.000 0.930 1082 S CB 0.956 64.053 63.200 -0.171 0.000 1.070 1082 S HN 0.321 nan 8.310 nan 0.000 0.480 1083 Y N 3.334 123.574 120.300 -0.099 0.000 2.442 1083 Y HA 0.232 4.783 4.550 0.000 0.000 0.330 1083 Y C -1.386 174.417 175.900 -0.162 0.000 1.129 1083 Y CA -1.222 56.819 58.100 -0.099 0.000 1.365 1083 Y CB -0.051 38.371 38.460 -0.062 0.000 1.233 1083 Y HN 0.413 nan 8.280 nan 0.000 0.529 1084 P HA 0.174 nan 4.420 nan 0.000 0.274 1084 P C -2.659 174.565 177.300 -0.126 0.000 1.260 1084 P CA -1.355 61.578 63.100 -0.278 0.000 0.793 1084 P CB 0.475 31.929 31.700 -0.409 0.000 1.048 1085 P HA 0.291 nan 4.420 nan 0.000 0.276 1085 P C -0.289 176.981 177.300 -0.051 0.000 1.261 1085 P CA -0.271 62.778 63.100 -0.086 0.000 0.800 1085 P CB 0.262 31.907 31.700 -0.092 0.000 1.066 1086 M N -1.062 118.496 119.600 -0.071 0.000 2.472 1086 M HA 0.507 4.987 4.480 0.001 0.000 0.331 1086 M C -0.843 175.382 176.300 -0.125 0.000 1.170 1086 M CA -0.781 54.474 55.300 -0.076 0.000 1.009 1086 M CB 0.846 33.388 32.600 -0.096 0.000 1.672 1086 M HN 0.091 nan 8.290 nan 0.000 0.453 1087 c N 2.048 120.564 118.600 -0.139 0.000 2.611 1087 c HA 0.110 4.680 4.570 0.001 0.000 0.416 1087 c C 0.995 174.893 174.090 -0.320 0.000 1.366 1087 c CA -0.072 56.112 56.329 -0.242 0.000 1.761 1087 c CB -0.637 41.746 42.510 -0.211 0.000 2.619 1087 c HN 0.873 nan 8.230 nan 0.000 0.606 1088 T N 4.735 118.955 114.554 -0.556 0.000 2.903 1088 T HA 0.217 4.568 4.350 0.001 0.000 0.299 1088 T C 0.058 174.542 174.700 -0.359 0.000 1.041 1088 T CA 0.631 62.368 62.100 -0.604 0.000 1.138 1088 T CB -0.135 67.994 68.868 -1.232 0.000 1.040 1088 T HN 0.908 nan 8.240 nan 0.000 0.524 1089 Q N 0.727 120.452 119.800 -0.125 0.000 2.874 1089 Q HA 0.298 4.638 4.340 0.001 0.000 0.303 1089 Q C -1.709 174.323 176.000 0.052 0.000 0.876 1089 Q CA -1.154 54.669 55.803 0.033 0.000 0.765 1089 Q CB 0.776 29.519 28.738 0.007 0.000 1.478 1089 Q HN 0.385 nan 8.270 nan 0.000 0.434 1090 D N 2.320 122.773 120.400 0.088 0.000 2.389 1090 D HA 0.052 4.692 4.640 0.001 0.000 0.263 1090 D C -1.243 175.069 176.300 0.020 0.000 1.255 1090 D CA -1.460 52.579 54.000 0.064 0.000 0.914 1090 D CB 1.055 41.899 40.800 0.074 0.000 1.116 1090 D HN 0.305 nan 8.370 nan 0.000 0.502 1091 P HA -0.196 nan 4.420 nan 0.000 0.215 1091 P C 1.024 178.310 177.300 -0.023 0.000 1.153 1091 P CA 1.307 64.395 63.100 -0.019 0.000 0.853 1091 P CB 0.431 32.120 31.700 -0.018 0.000 0.788 1092 K N -0.123 120.269 120.400 -0.013 0.000 2.025 1092 K HA -0.026 4.294 4.320 0.001 0.000 0.207 1092 K C 2.445 179.030 176.600 -0.025 0.000 1.049 1092 K CA 1.456 57.732 56.287 -0.017 0.000 0.933 1092 K CB -0.624 31.871 32.500 -0.009 0.000 0.714 1092 K HN 0.023 nan 8.250 nan 0.000 0.438 1093 A N 0.896 123.707 122.820 -0.016 0.000 1.930 1093 A HA -0.066 4.255 4.320 0.001 0.000 0.217 1093 A C 2.372 179.928 177.584 -0.046 0.000 1.175 1093 A CA 1.848 53.870 52.037 -0.024 0.000 0.627 1093 A CB -1.107 17.895 19.000 0.004 0.000 0.815 1093 A HN 0.428 nan 8.150 nan 0.000 0.443 1094 G N -0.886 107.890 108.800 -0.040 0.000 2.402 1094 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 1094 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 1094 G C 1.631 176.479 174.900 -0.085 0.000 1.162 1094 G CA 1.076 46.139 45.100 -0.062 0.000 0.777 1094 G HN 0.624 nan 8.290 nan 0.000 0.539 1095 Q N -0.565 119.192 119.800 -0.072 0.000 2.046 1095 Q HA -0.055 4.285 4.340 0.001 0.000 0.200 1095 Q C 2.432 178.383 176.000 -0.082 0.000 0.975 1095 Q CA 1.181 56.938 55.803 -0.077 0.000 0.836 1095 Q CB -0.252 28.451 28.738 -0.059 0.000 0.896 1095 Q HN 0.359 nan 8.270 nan 0.000 0.428 1096 L N 0.637 121.815 121.223 -0.074 0.000 2.012 1096 L HA -0.168 4.172 4.340 0.001 0.000 0.210 1096 L C 2.145 178.939 176.870 -0.127 0.000 1.073 1096 L CA 1.604 56.399 54.840 -0.076 0.000 0.748 1096 L CB -0.836 41.183 42.059 -0.066 0.000 0.891 1096 L HN 0.419 nan 8.230 nan 0.000 0.431 1097 L N -1.235 119.881 121.223 -0.178 0.000 2.083 1097 L HA -0.154 4.186 4.340 0.001 0.000 0.209 1097 L C 2.648 179.334 176.870 -0.306 0.000 1.083 1097 L CA 2.004 56.648 54.840 -0.326 0.000 0.752 1097 L CB -0.828 41.055 42.059 -0.294 0.000 0.899 1097 L HN 0.431 nan 8.230 nan 0.000 0.433 1098 S N -0.736 114.854 115.700 -0.183 0.000 2.368 1098 S HA -0.196 4.275 4.470 0.001 0.000 0.224 1098 S C 1.835 176.359 174.600 -0.126 0.000 1.029 1098 S CA 1.487 59.589 58.200 -0.163 0.000 0.988 1098 S CB -0.245 62.862 63.200 -0.156 0.000 0.838 1098 S HN 0.641 nan 8.310 nan 0.000 0.462 1099 E N 0.544 120.691 120.200 -0.088 0.000 2.110 1099 E HA -0.089 4.261 4.350 0.001 0.000 0.193 1099 E C 1.953 178.581 176.600 0.046 0.000 0.988 1099 E CA 1.146 57.528 56.400 -0.030 0.000 0.804 1099 E CB -0.213 29.478 29.700 -0.016 0.000 0.745 1099 E HN 0.492 nan 8.360 nan 0.000 0.458 1100 L N -0.394 120.852 121.223 0.039 0.000 2.341 1100 L HA -0.021 4.319 4.340 0.001 0.000 0.214 1100 L C 1.563 178.702 176.870 0.448 0.000 1.115 1100 L CA 0.296 55.253 54.840 0.195 0.000 0.820 1100 L CB 0.087 42.194 42.059 0.080 0.000 0.944 1100 L HN 0.109 nan 8.230 nan 0.000 0.452 1101 F N -1.053 118.881 119.950 -0.026 0.000 2.717 1101 F HA 0.167 4.694 4.527 0.000 0.000 0.297 1101 F C 1.553 177.059 175.800 -0.490 0.000 1.113 1101 F CA -0.477 57.379 58.000 -0.241 0.000 1.319 1101 F CB -0.482 38.392 39.000 -0.209 0.000 1.097 1101 F HN -0.206 nan 8.300 nan 0.000 0.595 1102 T N 2.398 116.846 114.554 -0.177 0.000 2.928 1102 T HA -0.026 4.324 4.350 0.001 0.000 0.305 1102 T C 1.310 175.883 174.700 -0.212 0.000 1.035 1102 T CA -0.013 61.893 62.100 -0.323 0.000 1.145 1102 T CB 0.289 69.023 68.868 -0.224 0.000 0.963 1102 T HN 0.339 nan 8.240 nan 0.000 0.545 1103 N N 4.435 122.940 118.700 -0.324 0.000 2.280 1103 N HA -0.002 4.738 4.740 0.001 0.000 0.192 1103 N C 0.421 175.834 175.510 -0.163 0.000 1.109 1103 N CA -0.309 52.612 53.050 -0.215 0.000 0.855 1103 N CB 0.016 38.354 38.487 -0.248 0.000 0.974 1103 N HN 0.716 nan 8.380 nan 0.000 0.482 1104 R N 1.019 121.427 120.500 -0.153 0.000 2.500 1104 R HA 0.279 4.620 4.340 0.001 0.000 0.277 1104 R C 1.226 177.488 176.300 -0.064 0.000 1.026 1104 R CA -0.741 55.301 56.100 -0.096 0.000 1.058 1104 R CB 1.172 31.414 30.300 -0.097 0.000 1.078 1104 R HN -0.053 nan 8.270 nan 0.000 0.509 1105 K N 1.366 121.749 120.400 -0.029 0.000 2.015 1105 K HA -0.221 4.099 4.320 0.001 0.000 0.220 1105 K C -0.199 176.397 176.600 -0.007 0.000 1.055 1105 K CA 1.532 57.817 56.287 -0.003 0.000 0.951 1105 K CB -0.251 32.258 32.500 0.016 0.000 0.725 1105 K HN 0.690 nan 8.250 nan 0.000 0.449 1106 E N 1.196 121.385 120.200 -0.019 0.000 2.195 1106 E HA 0.173 4.524 4.350 0.001 0.000 0.271 1106 E C -1.045 175.519 176.600 -0.060 0.000 0.923 1106 E CA -0.883 55.501 56.400 -0.027 0.000 0.790 1106 E CB 1.428 31.117 29.700 -0.019 0.000 1.155 1106 E HN 0.224 nan 8.360 nan 0.000 0.402 1107 N N 3.069 121.730 118.700 -0.065 0.000 2.520 1107 N HA 0.098 4.839 4.740 0.001 0.000 0.273 1107 N C -0.742 174.695 175.510 -0.122 0.000 1.155 1107 N CA -0.019 52.969 53.050 -0.104 0.000 0.967 1107 N CB 0.608 39.042 38.487 -0.088 0.000 1.092 1107 N HN 0.444 nan 8.380 nan 0.000 0.457 1108 I N 5.223 125.680 120.570 -0.188 0.000 2.312 1108 I HA 0.203 4.373 4.170 0.001 0.000 0.291 1108 I C -1.726 174.280 176.117 -0.185 0.000 1.031 1108 I CA -1.808 59.361 61.300 -0.219 0.000 1.293 1108 I CB 1.462 39.204 38.000 -0.430 0.000 1.403 1108 I HN 0.354 nan 8.210 nan 0.000 0.484 1109 P HA 0.238 nan 4.420 nan 0.000 0.271 1109 P C -0.972 176.271 177.300 -0.095 0.000 1.216 1109 P CA 0.011 63.053 63.100 -0.095 0.000 0.771 1109 P CB 1.109 32.771 31.700 -0.064 0.000 0.864 1110 L N 1.905 123.073 121.223 -0.092 0.000 2.303 1110 L HA 0.560 4.901 4.340 0.001 0.000 0.266 1110 L C 0.633 177.462 176.870 -0.067 0.000 1.011 1110 L CA -1.287 53.505 54.840 -0.079 0.000 0.818 1110 L CB 1.371 43.374 42.059 -0.092 0.000 1.326 1110 L HN 0.180 nan 8.230 nan 0.000 0.435 1111 K N 0.666 121.028 120.400 -0.063 0.000 2.132 1111 K HA 0.690 5.010 4.320 0.001 0.000 0.241 1111 K C -0.964 175.587 176.600 -0.081 0.000 1.000 1111 K CA -0.355 55.892 56.287 -0.066 0.000 0.911 1111 K CB 1.017 33.479 32.500 -0.063 0.000 1.093 1111 K HN 0.351 nan 8.250 nan 0.000 0.460 1112 L N 0.411 121.581 121.223 -0.088 0.000 2.334 1112 L HA 0.634 4.974 4.340 0.001 0.000 0.276 1112 L C -0.356 176.434 176.870 -0.134 0.000 1.014 1112 L CA -0.707 54.061 54.840 -0.120 0.000 0.815 1112 L CB 1.924 43.911 42.059 -0.119 0.000 1.268 1112 L HN 0.549 nan 8.230 nan 0.000 0.428 1113 S N 0.408 115.999 115.700 -0.181 0.000 2.580 1113 S HA 0.173 4.643 4.470 0.001 0.000 0.281 1113 S C 0.062 174.509 174.600 -0.255 0.000 1.129 1113 S CA -0.576 57.518 58.200 -0.177 0.000 0.862 1113 S CB 1.590 64.727 63.200 -0.105 0.000 1.090 1113 S HN 0.774 nan 8.310 nan 0.000 0.451 1114 E N 1.041 121.081 120.200 -0.266 0.000 2.208 1114 E HA -0.074 4.276 4.350 0.001 0.000 0.193 1114 E C -0.207 176.275 176.600 -0.197 0.000 0.988 1114 E CA 0.646 56.853 56.400 -0.322 0.000 0.828 1114 E CB 0.067 29.639 29.700 -0.215 0.000 0.763 1114 E HN 0.568 nan 8.360 nan 0.000 0.478 1115 D N 0.307 120.637 120.400 -0.117 0.000 2.508 1115 D HA -0.016 4.624 4.640 0.001 0.000 0.224 1115 D C 0.042 176.387 176.300 0.075 0.000 1.171 1115 D CA -0.239 53.733 54.000 -0.046 0.000 1.006 1115 D CB -0.185 40.618 40.800 0.005 0.000 1.073 1115 D HN 0.132 nan 8.370 nan 0.000 0.513 1116 c N 2.108 120.698 118.600 -0.015 0.000 3.512 1116 c HA 0.393 4.963 4.570 0.001 0.000 0.276 1116 c C 0.646 174.739 174.090 0.004 0.000 1.592 1116 c CA -0.762 55.624 56.329 0.096 0.000 1.803 1116 c CB -1.363 41.128 42.510 -0.031 0.000 2.996 1116 c HN 0.419 nan 8.230 nan 0.000 0.590 1117 L N 2.496 123.482 121.223 -0.395 0.000 2.384 1117 L HA 0.395 4.735 4.340 0.001 0.000 0.258 1117 L C -0.752 175.478 176.870 -1.068 0.000 1.266 1117 L CA 0.476 54.903 54.840 -0.687 0.000 1.162 1117 L CB -0.673 40.839 42.059 -0.912 0.000 1.375 1117 L HN 0.408 nan 8.230 nan 0.000 0.420 1118 Y N 1.737 121.941 120.300 -0.160 0.000 2.665 1118 Y HA 0.719 5.270 4.550 0.000 0.000 0.336 1118 Y C -0.152 175.857 175.900 0.182 0.000 1.085 1118 Y CA -1.251 56.816 58.100 -0.056 0.000 1.096 1118 Y CB 1.790 40.203 38.460 -0.079 0.000 1.301 1118 Y HN 0.141 nan 8.280 nan 0.000 0.493 1119 L N -0.511 120.862 121.223 0.251 0.000 2.415 1119 L HA 0.737 5.078 4.340 0.001 0.000 0.256 1119 L C -1.486 175.426 176.870 0.070 0.000 1.010 1119 L CA -1.153 53.781 54.840 0.156 0.000 0.826 1119 L CB 1.713 43.790 42.059 0.029 0.000 1.405 1119 L HN 0.409 nan 8.230 nan 0.000 0.410 1120 N N 1.255 120.015 118.700 0.100 0.000 2.370 1120 N HA 0.757 5.498 4.740 0.001 0.000 0.303 1120 N C -1.246 174.243 175.510 -0.035 0.000 1.103 1120 N CA -0.228 52.829 53.050 0.012 0.000 0.848 1120 N CB 2.571 41.112 38.487 0.091 0.000 1.235 1120 N HN 0.682 nan 8.380 nan 0.000 0.496 1121 I N 1.645 122.101 120.570 -0.191 0.000 2.545 1121 I HA 0.327 4.497 4.170 0.001 0.000 0.292 1121 I C -1.236 174.763 176.117 -0.198 0.000 1.040 1121 I CA -0.743 60.495 61.300 -0.103 0.000 1.068 1121 I CB 1.458 39.334 38.000 -0.207 0.000 1.251 1121 I HN 0.351 nan 8.210 nan 0.000 0.424 1122 Y N 3.292 123.730 120.300 0.231 0.000 2.426 1122 Y HA 0.391 4.941 4.550 0.001 0.000 0.325 1122 Y C 0.242 176.280 175.900 0.229 0.000 0.989 1122 Y CA -0.731 57.508 58.100 0.232 0.000 1.284 1122 Y CB 1.952 40.523 38.460 0.185 0.000 1.104 1122 Y HN 0.370 nan 8.280 nan 0.000 0.481 1123 T N 4.817 119.600 114.554 0.382 0.000 2.807 1123 T HA 0.355 4.706 4.350 0.001 0.000 0.279 1123 T C -2.080 172.786 174.700 0.276 0.000 0.993 1123 T CA -2.396 59.897 62.100 0.321 0.000 0.970 1123 T CB 1.394 70.477 68.868 0.359 0.000 0.950 1123 T HN 0.358 nan 8.240 nan 0.000 0.441 1124 P HA 0.266 nan 4.420 nan 0.000 0.251 1124 P C 0.356 177.741 177.300 0.141 0.000 1.223 1124 P CA -0.124 63.059 63.100 0.138 0.000 0.796 1124 P CB 0.107 31.845 31.700 0.064 0.000 1.068 1125 A N 0.966 123.883 122.820 0.162 0.000 2.406 1125 A HA 0.147 4.467 4.320 0.001 0.000 0.243 1125 A C 0.177 177.853 177.584 0.153 0.000 1.082 1125 A CA -0.036 52.085 52.037 0.139 0.000 0.786 1125 A CB -0.330 18.751 19.000 0.135 0.000 1.029 1125 A HN -0.015 nan 8.150 nan 0.000 0.495 1126 D N 1.463 121.932 120.400 0.114 0.000 2.339 1126 D HA 0.224 4.865 4.640 0.001 0.000 0.241 1126 D C 0.844 177.217 176.300 0.121 0.000 1.183 1126 D CA -0.065 54.000 54.000 0.110 0.000 0.859 1126 D CB 0.347 41.186 40.800 0.065 0.000 1.067 1126 D HN 0.406 nan 8.370 nan 0.000 0.484 1127 L N 2.859 124.183 121.223 0.169 0.000 2.456 1127 L HA -0.086 4.255 4.340 0.001 0.000 0.224 1127 L C 1.990 178.914 176.870 0.090 0.000 1.148 1127 L CA 1.031 55.950 54.840 0.133 0.000 0.825 1127 L CB -0.440 41.722 42.059 0.171 0.000 0.937 1127 L HN 0.492 nan 8.230 nan 0.000 0.450 1128 T N -3.911 110.699 114.554 0.094 0.000 3.169 1128 T HA 0.129 4.480 4.350 0.001 0.000 0.250 1128 T C 0.615 175.342 174.700 0.044 0.000 1.111 1128 T CA -0.012 62.127 62.100 0.066 0.000 1.010 1128 T CB 0.071 68.979 68.868 0.067 0.000 0.984 1128 T HN 0.196 nan 8.240 nan 0.000 0.537 1129 K N 0.329 120.756 120.400 0.044 0.000 2.399 1129 K HA 0.519 4.839 4.320 0.001 0.000 0.260 1129 K C -0.944 175.672 176.600 0.027 0.000 1.049 1129 K CA -1.114 55.192 56.287 0.032 0.000 0.890 1129 K CB 1.867 34.387 32.500 0.034 0.000 1.430 1129 K HN -0.002 nan 8.250 nan 0.000 0.459 1130 K N 1.775 122.187 120.400 0.020 0.000 2.258 1130 K HA 0.316 4.636 4.320 0.001 0.000 0.284 1130 K C -0.601 176.013 176.600 0.023 0.000 1.051 1130 K CA -0.466 55.830 56.287 0.014 0.000 0.923 1130 K CB 0.581 33.085 32.500 0.006 0.000 1.046 1130 K HN 0.388 nan 8.250 nan 0.000 0.474 1131 N N 2.108 120.825 118.700 0.028 0.000 2.324 1131 N HA 0.303 5.043 4.740 0.001 0.000 0.285 1131 N C -1.140 174.392 175.510 0.036 0.000 1.076 1131 N CA -0.731 52.342 53.050 0.038 0.000 0.864 1131 N CB 1.860 40.382 38.487 0.059 0.000 1.632 1131 N HN 0.314 nan 8.380 nan 0.000 0.478 1132 R N 2.237 122.756 120.500 0.031 0.000 2.644 1132 R HA 0.380 4.720 4.340 0.001 0.000 0.271 1132 R C -0.503 175.815 176.300 0.029 0.000 1.687 1132 R CA -0.330 55.785 56.100 0.026 0.000 1.655 1132 R CB 0.375 30.679 30.300 0.006 0.000 1.285 1132 R HN 0.497 nan 8.270 nan 0.000 0.643 1133 L N 2.792 124.045 121.223 0.049 0.000 2.399 1133 L HA 0.425 4.765 4.340 0.001 0.000 0.266 1133 L C -1.654 175.246 176.870 0.050 0.000 1.114 1133 L CA -1.882 52.988 54.840 0.051 0.000 0.804 1133 L CB 0.657 42.759 42.059 0.071 0.000 1.146 1133 L HN 0.020 nan 8.230 nan 0.000 0.451 1134 P HA 0.023 nan 4.420 nan 0.000 0.268 1134 P C -0.874 176.466 177.300 0.067 0.000 1.205 1134 P CA -0.049 63.072 63.100 0.034 0.000 0.771 1134 P CB 0.888 32.593 31.700 0.009 0.000 0.858 1135 V N 4.922 124.889 119.914 0.087 0.000 2.435 1135 V HA 0.387 4.508 4.120 0.001 0.000 0.290 1135 V C 0.615 176.794 176.094 0.141 0.000 1.030 1135 V CA -0.386 61.991 62.300 0.129 0.000 0.881 1135 V CB 1.215 33.124 31.823 0.144 0.000 0.983 1135 V HN 0.491 nan 8.190 nan 0.000 0.445 1136 M N 4.664 124.374 119.600 0.183 0.000 2.125 1136 M HA 0.479 4.959 4.480 0.001 0.000 0.321 1136 M C -1.143 175.455 176.300 0.497 0.000 0.983 1136 M CA -0.588 54.855 55.300 0.237 0.000 0.934 1136 M CB 2.010 34.638 32.600 0.047 0.000 1.542 1136 M HN 0.351 nan 8.290 nan 0.000 0.424 1137 V N 3.725 123.943 119.914 0.506 0.000 2.333 1137 V HA 0.252 4.373 4.120 0.001 0.000 0.274 1137 V C -0.584 175.769 176.094 0.431 0.000 1.028 1137 V CA -0.510 62.040 62.300 0.417 0.000 0.851 1137 V CB 0.960 32.913 31.823 0.215 0.000 1.000 1137 V HN 0.834 nan 8.190 nan 0.000 0.456 1138 W N 7.289 128.631 121.300 0.069 0.000 2.322 1138 W HA 0.559 5.219 4.660 0.000 0.000 0.307 1138 W C -1.151 175.230 176.519 -0.229 0.000 1.220 1138 W CA -0.758 56.350 57.345 -0.395 0.000 1.210 1138 W CB 1.101 30.369 29.460 -0.319 0.000 1.223 1138 W HN 0.424 nan 8.180 nan 0.000 0.511 1139 I N 7.988 127.850 120.570 -1.180 0.000 2.359 1139 I HA 0.061 4.232 4.170 0.001 0.000 0.284 1139 I C 0.980 176.336 176.117 -1.269 0.000 1.018 1139 I CA -0.803 59.949 61.300 -0.913 0.000 1.173 1139 I CB 0.888 38.495 38.000 -0.655 0.000 1.326 1139 I HN 0.406 nan 8.210 nan 0.000 0.462 1140 H N 4.789 123.444 119.070 -0.692 0.000 2.757 1140 H HA 0.400 4.956 4.556 0.000 0.000 0.370 1140 H C -0.027 175.288 175.328 -0.022 0.000 1.172 1140 H CA -0.383 55.465 56.048 -0.334 0.000 1.426 1140 H CB 1.150 31.006 29.762 0.156 0.000 1.438 1140 H HN 0.621 nan 8.280 nan 0.000 0.612 1141 G N -1.296 107.699 108.800 0.325 0.000 2.583 1141 G HA2 0.467 4.427 3.960 0.001 0.000 0.280 1141 G HA3 0.467 4.427 3.960 0.001 0.000 0.280 1141 G C 0.303 175.506 174.900 0.506 0.000 1.376 1141 G CA -0.747 44.557 45.100 0.341 0.000 1.043 1141 G HN 1.188 nan 8.290 nan 0.000 0.538 1142 G N -2.721 106.299 108.800 0.367 0.000 2.223 1142 G HA2 0.407 4.367 3.960 0.001 0.000 0.200 1142 G HA3 0.407 4.367 3.960 0.001 0.000 0.200 1142 G C 0.994 176.000 174.900 0.177 0.000 1.061 1142 G CA 0.682 45.945 45.100 0.272 0.000 0.790 1142 G HN 2.311 nan 8.290 nan 0.000 0.498 1143 G N 0.047 108.935 108.800 0.148 0.000 2.258 1143 G HA2 -0.175 3.785 3.960 0.001 0.000 0.274 1143 G HA3 -0.175 3.785 3.960 0.001 0.000 0.274 1143 G C 1.200 176.093 174.900 -0.013 0.000 1.021 1143 G CA 0.719 45.849 45.100 0.050 0.000 0.798 1143 G HN 1.787 nan 8.290 nan 0.000 0.507 1144 L N -3.722 117.533 121.223 0.053 0.000 4.555 1144 L HA -0.318 4.022 4.340 0.001 0.000 0.431 1144 L C 2.185 179.124 176.870 0.115 0.000 1.136 1144 L CA 1.719 56.587 54.840 0.047 0.000 0.972 1144 L CB -1.350 40.439 42.059 -0.449 0.000 1.999 1144 L HN 0.464 nan 8.230 nan 0.000 0.900 1145 M N -1.431 118.227 119.600 0.098 0.000 2.800 1145 M HA 0.263 4.744 4.480 0.001 0.000 0.257 1145 M C 0.993 177.373 176.300 0.134 0.000 1.309 1145 M CA 1.456 56.828 55.300 0.119 0.000 1.202 1145 M CB 0.272 32.916 32.600 0.073 0.000 1.273 1145 M HN 0.232 nan 8.290 nan 0.000 0.528 1146 V N -2.484 117.499 119.914 0.115 0.000 3.145 1146 V HA 1.048 5.168 4.120 0.001 0.000 0.311 1146 V C -0.128 176.017 176.094 0.085 0.000 1.238 1146 V CA -0.259 62.084 62.300 0.071 0.000 1.066 1146 V CB 1.065 32.911 31.823 0.040 0.000 1.144 1146 V HN 0.558 nan 8.190 nan 0.000 0.465 1147 G N -1.107 107.666 108.800 -0.045 0.000 2.406 1147 G HA2 0.590 4.550 3.960 0.001 0.000 0.680 1147 G HA3 0.590 4.550 3.960 0.001 0.000 0.680 1147 G C -0.709 173.834 174.900 -0.595 0.000 1.338 1147 G CA -0.127 44.815 45.100 -0.263 0.000 0.941 1147 G HN 2.580 nan 8.290 nan 0.000 0.633 1148 A N -0.934 121.412 122.820 -0.789 0.000 2.589 1148 A HA 1.024 5.344 4.320 0.001 0.000 0.296 1148 A C 0.724 178.257 177.584 -0.084 0.000 1.062 1148 A CA 0.632 52.430 52.037 -0.398 0.000 0.686 1148 A CB 1.000 19.897 19.000 -0.171 0.000 1.282 1148 A HN 2.557 nan 8.150 nan 0.000 0.404 1149 A N 0.391 123.309 122.820 0.164 0.000 2.014 1149 A HA 0.141 4.461 4.320 0.001 0.000 0.218 1149 A C 1.933 179.718 177.584 0.336 0.000 1.163 1149 A CA 2.219 54.482 52.037 0.378 0.000 0.652 1149 A CB -0.520 18.701 19.000 0.368 0.000 0.808 1149 A HN 1.025 nan 8.150 nan 0.000 0.449 1150 S N -0.217 115.593 115.700 0.183 0.000 2.474 1150 S HA -0.090 4.381 4.470 0.001 0.000 0.235 1150 S C 1.842 176.396 174.600 -0.077 0.000 0.997 1150 S CA 1.414 59.674 58.200 0.100 0.000 0.949 1150 S CB -0.387 62.804 63.200 -0.014 0.000 0.766 1150 S HN 0.697 nan 8.310 nan 0.000 0.517 1151 T N 0.991 115.476 114.554 -0.114 0.000 2.803 1151 T HA -0.082 4.268 4.350 0.001 0.000 0.269 1151 T C -0.020 174.311 174.700 -0.615 0.000 1.052 1151 T CA 1.113 62.978 62.100 -0.391 0.000 1.136 1151 T CB -0.273 68.281 68.868 -0.525 0.000 0.864 1151 T HN 0.395 nan 8.240 nan 0.000 0.467 1152 Y N 1.656 121.796 120.300 -0.266 0.000 2.367 1152 Y HA 0.457 5.007 4.550 0.000 0.000 0.342 1152 Y C 0.053 175.732 175.900 -0.369 0.000 0.979 1152 Y CA -2.183 55.570 58.100 -0.580 0.000 1.161 1152 Y CB 0.424 38.251 38.460 -1.054 0.000 1.155 1152 Y HN -0.096 nan 8.280 nan 0.000 0.503 1153 D N 2.305 122.525 120.400 -0.299 0.000 2.313 1153 D HA 0.215 4.856 4.640 0.001 0.000 0.239 1153 D C 0.941 176.964 176.300 -0.462 0.000 1.142 1153 D CA -0.211 53.614 54.000 -0.291 0.000 0.847 1153 D CB 1.575 42.289 40.800 -0.142 0.000 1.082 1153 D HN 0.838 nan 8.370 nan 0.000 0.480 1154 G N 3.516 111.599 108.800 -1.194 0.000 2.985 1154 G HA2 -0.066 3.895 3.960 0.001 0.000 0.209 1154 G HA3 -0.066 3.895 3.960 0.001 0.000 0.209 1154 G C 1.571 176.214 174.900 -0.429 0.000 1.165 1154 G CA -0.189 44.484 45.100 -0.713 0.000 0.776 1154 G HN 0.554 nan 8.290 nan 0.000 0.541 1155 L N 0.464 121.458 121.223 -0.381 0.000 1.991 1155 L HA -0.261 4.080 4.340 0.001 0.000 0.221 1155 L C 3.215 180.038 176.870 -0.078 0.000 1.079 1155 L CA 1.970 56.767 54.840 -0.071 0.000 0.778 1155 L CB -0.290 41.773 42.059 0.006 0.000 0.893 1155 L HN 0.353 nan 8.230 nan 0.000 0.437 1156 A N -0.644 122.141 122.820 -0.058 0.000 1.858 1156 A HA -0.261 4.060 4.320 0.001 0.000 0.216 1156 A C 2.085 179.631 177.584 -0.064 0.000 1.190 1156 A CA 1.862 53.882 52.037 -0.028 0.000 0.617 1156 A CB -0.891 18.118 19.000 0.015 0.000 0.827 1156 A HN 0.444 nan 8.150 nan 0.000 0.443 1157 L N -0.158 121.010 121.223 -0.091 0.000 2.042 1157 L HA -0.097 4.243 4.340 0.001 0.000 0.210 1157 L C 2.651 179.485 176.870 -0.059 0.000 1.076 1157 L CA 2.316 57.093 54.840 -0.106 0.000 0.749 1157 L CB -0.832 41.132 42.059 -0.158 0.000 0.893 1157 L HN 0.365 nan 8.230 nan 0.000 0.432 1158 A N -0.439 122.360 122.820 -0.036 0.000 1.865 1158 A HA -0.127 4.194 4.320 0.001 0.000 0.217 1158 A C 2.449 179.982 177.584 -0.083 0.000 1.191 1158 A CA 2.160 54.200 52.037 0.005 0.000 0.623 1158 A CB -1.297 17.761 19.000 0.097 0.000 0.826 1158 A HN 0.595 nan 8.150 nan 0.000 0.444 1159 A N -1.555 121.118 122.820 -0.245 0.000 1.873 1159 A HA -0.143 4.177 4.320 0.001 0.000 0.215 1159 A C 2.100 179.272 177.584 -0.687 0.000 1.186 1159 A CA 1.466 53.150 52.037 -0.588 0.000 0.616 1159 A CB -0.931 17.443 19.000 -1.044 0.000 0.823 1159 A HN 0.675 nan 8.150 nan 0.000 0.442 1160 H N -0.570 118.166 119.070 -0.557 0.000 2.321 1160 H HA -0.044 4.512 4.556 0.000 0.000 0.300 1160 H C 1.062 176.367 175.328 -0.037 0.000 1.087 1160 H CA 1.636 57.563 56.048 -0.201 0.000 1.319 1160 H CB 0.199 29.800 29.762 -0.268 0.000 1.379 1160 H HN 0.401 nan 8.280 nan 0.000 0.501 1161 E N 0.255 120.487 120.200 0.052 0.000 2.476 1161 E HA -0.005 4.346 4.350 0.001 0.000 0.196 1161 E C -0.046 176.580 176.600 0.043 0.000 1.029 1161 E CA -0.241 56.189 56.400 0.051 0.000 0.896 1161 E CB -0.298 29.422 29.700 0.033 0.000 1.012 1161 E HN 0.421 nan 8.360 nan 0.000 0.475 1162 N N 0.538 119.257 118.700 0.032 0.000 2.714 1162 N HA -0.182 4.559 4.740 0.001 0.000 0.253 1162 N C -0.611 174.931 175.510 0.054 0.000 1.024 1162 N CA 0.388 53.466 53.050 0.046 0.000 0.726 1162 N CB -0.757 37.766 38.487 0.060 0.000 0.908 1162 N HN 0.032 nan 8.380 nan 0.000 0.542 1163 V N -2.922 117.027 119.914 0.057 0.000 3.040 1163 V HA 0.736 4.856 4.120 0.001 0.000 0.312 1163 V C 0.375 176.538 176.094 0.115 0.000 1.115 1163 V CA -0.913 61.431 62.300 0.074 0.000 0.998 1163 V CB 2.104 33.959 31.823 0.054 0.000 1.042 1163 V HN -0.117 nan 8.190 nan 0.000 0.433 1164 V N 3.083 123.081 119.914 0.141 0.000 2.432 1164 V HA 0.406 4.526 4.120 0.001 0.000 0.271 1164 V C 0.117 176.347 176.094 0.227 0.000 1.046 1164 V CA -0.196 62.220 62.300 0.193 0.000 0.945 1164 V CB 1.231 33.167 31.823 0.188 0.000 0.992 1164 V HN 0.735 nan 8.190 nan 0.000 0.471 1165 V N 6.176 126.269 119.914 0.298 0.000 2.398 1165 V HA 0.472 4.592 4.120 0.001 0.000 0.286 1165 V C -0.149 176.214 176.094 0.449 0.000 1.026 1165 V CA -0.501 62.023 62.300 0.374 0.000 0.868 1165 V CB 1.820 33.854 31.823 0.352 0.000 0.982 1165 V HN 0.588 nan 8.190 nan 0.000 0.443 1166 V N 4.116 124.277 119.914 0.412 0.000 2.407 1166 V HA 0.461 4.581 4.120 0.001 0.000 0.291 1166 V C 0.219 176.545 176.094 0.386 0.000 1.018 1166 V CA -0.510 61.996 62.300 0.343 0.000 0.842 1166 V CB 2.118 34.083 31.823 0.237 0.000 0.996 1166 V HN 1.003 nan 8.190 nan 0.000 0.426 1167 T N 4.003 118.802 114.554 0.408 0.000 2.799 1167 T HA 0.800 5.150 4.350 0.001 0.000 0.286 1167 T C -0.314 174.571 174.700 0.309 0.000 0.973 1167 T CA -0.481 61.877 62.100 0.429 0.000 1.035 1167 T CB 1.335 70.507 68.868 0.506 0.000 0.932 1167 T HN 0.658 nan 8.240 nan 0.000 0.469 1168 I N 0.103 120.828 120.570 0.257 0.000 2.863 1168 I HA 0.674 4.844 4.170 0.001 0.000 0.311 1168 I C -0.703 175.631 176.117 0.361 0.000 1.026 1168 I CA -1.325 60.113 61.300 0.229 0.000 1.077 1168 I CB 2.099 40.131 38.000 0.053 0.000 1.262 1168 I HN 0.576 nan 8.210 nan 0.000 0.461 1169 Q N 1.788 121.840 119.800 0.421 0.000 2.399 1169 Q HA 0.581 4.921 4.340 0.001 0.000 0.276 1169 Q C -1.958 174.338 176.000 0.493 0.000 1.098 1169 Q CA -0.801 55.254 55.803 0.420 0.000 0.827 1169 Q CB 2.892 31.808 28.738 0.295 0.000 1.386 1169 Q HN 0.714 nan 8.270 nan 0.000 0.443 1170 Y N -2.675 117.747 120.300 0.202 0.000 2.552 1170 Y HA 0.497 5.048 4.550 0.000 0.000 0.337 1170 Y C -1.020 174.942 175.900 0.104 0.000 1.094 1170 Y CA -1.427 56.761 58.100 0.147 0.000 1.028 1170 Y CB 0.743 39.251 38.460 0.081 0.000 1.321 1170 Y HN 0.428 nan 8.280 nan 0.000 0.456 1171 R N 2.530 123.092 120.500 0.103 0.000 2.537 1171 R HA 0.296 4.637 4.340 0.001 0.000 0.281 1171 R C -0.691 175.644 176.300 0.058 0.000 0.988 1171 R CA 0.248 56.368 56.100 0.032 0.000 1.077 1171 R CB 0.158 30.506 30.300 0.080 0.000 0.932 1171 R HN 0.680 nan 8.270 nan 0.000 0.409 1172 L N 1.433 122.723 121.223 0.111 0.000 2.335 1172 L HA 0.465 4.805 4.340 0.001 0.000 0.268 1172 L C 1.546 178.705 176.870 0.480 0.000 1.016 1172 L CA -0.394 54.617 54.840 0.285 0.000 0.805 1172 L CB 1.007 43.150 42.059 0.139 0.000 1.311 1172 L HN 0.880 nan 8.230 nan 0.000 0.456 1173 G N 0.350 109.453 108.800 0.504 0.000 2.660 1173 G HA2 -0.359 3.601 3.960 0.001 0.000 0.338 1173 G HA3 -0.359 3.601 3.960 0.001 0.000 0.338 1173 G C 0.909 176.110 174.900 0.502 0.000 1.336 1173 G CA 0.855 46.226 45.100 0.451 0.000 0.990 1173 G HN 0.651 nan 8.290 nan 0.000 0.537 1174 I N -0.569 120.242 120.570 0.403 0.000 2.118 1174 I HA -0.220 3.950 4.170 0.001 0.000 0.241 1174 I C 2.884 179.261 176.117 0.434 0.000 1.070 1174 I CA 2.455 63.921 61.300 0.277 0.000 1.327 1174 I CB -0.362 37.551 38.000 -0.145 0.000 1.034 1174 I HN 0.566 nan 8.210 nan 0.000 0.405 1175 W N 0.626 122.112 121.300 0.310 0.000 2.318 1175 W HA -0.160 4.500 4.660 0.000 0.000 0.313 1175 W C 2.339 178.988 176.519 0.216 0.000 1.221 1175 W CA 1.406 58.834 57.345 0.138 0.000 1.266 1175 W CB -1.007 28.435 29.460 -0.029 0.000 1.150 1175 W HN 0.254 nan 8.180 nan 0.000 0.496 1176 G N -2.448 106.576 108.800 0.373 0.000 3.088 1176 G HA2 0.091 4.052 3.960 0.001 0.000 0.217 1176 G HA3 0.091 4.052 3.960 0.001 0.000 0.217 1176 G C 0.507 175.015 174.900 -0.654 0.000 1.159 1176 G CA 0.030 45.074 45.100 -0.094 0.000 0.760 1176 G HN 0.140 nan 8.290 nan 0.000 0.550 1177 F N -1.219 118.983 119.950 0.420 0.000 2.960 1177 F HA 0.376 4.903 4.527 0.001 0.000 0.345 1177 F C 0.223 176.140 175.800 0.195 0.000 1.147 1177 F CA -1.817 56.282 58.000 0.165 0.000 1.099 1177 F CB 0.012 39.033 39.000 0.036 0.000 1.219 1177 F HN 0.011 nan 8.300 nan 0.000 0.525 1178 F N 2.130 122.298 119.950 0.365 0.000 2.578 1178 F HA 0.366 4.893 4.527 0.001 0.000 0.376 1178 F C 0.477 176.364 175.800 0.145 0.000 1.085 1178 F CA 0.530 58.633 58.000 0.171 0.000 1.260 1178 F CB 0.503 39.468 39.000 -0.059 0.000 1.095 1178 F HN -0.073 nan 8.300 nan 0.000 0.573 1179 S N 3.555 118.811 115.700 -0.740 0.000 2.575 1179 S HA 0.312 4.782 4.470 0.001 0.000 0.278 1179 S C 0.262 174.454 174.600 -0.680 0.000 1.139 1179 S CA -0.108 57.755 58.200 -0.562 0.000 0.954 1179 S CB 1.365 64.403 63.200 -0.269 0.000 1.054 1179 S HN 0.816 nan 8.310 nan 0.000 0.483 1180 T N 0.888 115.156 114.554 -0.476 0.000 3.086 1180 T HA 0.394 4.745 4.350 0.001 0.000 0.250 1180 T C 1.511 176.127 174.700 -0.139 0.000 1.074 1180 T CA 0.548 62.478 62.100 -0.284 0.000 0.988 1180 T CB 0.001 68.799 68.868 -0.117 0.000 0.988 1180 T HN 1.719 nan 8.240 nan 0.000 0.530 1181 G N 2.264 110.979 108.800 -0.141 0.000 2.184 1181 G HA2 -0.241 3.719 3.960 0.001 0.000 0.264 1181 G HA3 -0.241 3.719 3.960 0.001 0.000 0.264 1181 G C -0.207 174.655 174.900 -0.063 0.000 0.975 1181 G CA 0.468 45.513 45.100 -0.092 0.000 0.642 1181 G HN 0.904 nan 8.290 nan 0.000 0.536 1182 D N -1.561 118.809 120.400 -0.051 0.000 2.758 1182 D HA 0.459 5.099 4.640 0.001 0.000 0.279 1182 D C 1.404 177.657 176.300 -0.079 0.000 1.111 1182 D CA -0.052 53.914 54.000 -0.058 0.000 1.109 1182 D CB -0.243 40.533 40.800 -0.040 0.000 1.428 1182 D HN 0.141 nan 8.370 nan 0.000 0.586 1183 E N -0.106 119.990 120.200 -0.173 0.000 2.209 1183 E HA -0.258 4.092 4.350 0.001 0.000 0.196 1183 E C 0.994 177.512 176.600 -0.138 0.000 0.993 1183 E CA 1.306 57.597 56.400 -0.181 0.000 0.819 1183 E CB -0.680 28.872 29.700 -0.246 0.000 0.745 1183 E HN 0.528 nan 8.360 nan 0.000 0.477 1184 H N 0.311 119.432 119.070 0.085 0.000 2.546 1184 H HA 0.169 4.725 4.556 0.001 0.000 0.277 1184 H C 0.361 175.790 175.328 0.168 0.000 1.004 1184 H CA 1.095 57.209 56.048 0.109 0.000 1.231 1184 H CB 0.335 30.147 29.762 0.082 0.000 1.382 1184 H HN 0.106 nan 8.280 nan 0.000 0.580 1185 S N -0.344 115.507 115.700 0.252 0.000 2.862 1185 S HA 0.157 4.627 4.470 0.001 0.000 0.148 1185 S C 0.844 175.569 174.600 0.209 0.000 0.829 1185 S CA -0.582 57.843 58.200 0.375 0.000 0.991 1185 S CB 0.081 63.445 63.200 0.272 0.000 1.607 1185 S HN 0.192 nan 8.310 nan 0.000 0.474 1186 R N 1.434 122.033 120.500 0.165 0.000 2.091 1186 R HA 0.154 4.494 4.340 0.001 0.000 0.238 1186 R C 1.466 177.573 176.300 -0.322 0.000 1.136 1186 R CA 1.309 57.352 56.100 -0.096 0.000 0.959 1186 R CB -0.257 29.978 30.300 -0.109 0.000 0.856 1186 R HN 0.861 nan 8.270 nan 0.000 0.437 1187 G N -0.481 107.858 108.800 -0.769 0.000 2.466 1187 G HA2 -0.216 3.744 3.960 0.001 0.000 0.316 1187 G HA3 -0.216 3.744 3.960 0.001 0.000 0.316 1187 G C -0.612 173.505 174.900 -1.304 0.000 1.270 1187 G CA -0.372 44.120 45.100 -1.014 0.000 0.982 1187 G HN 0.245 nan 8.290 nan 0.000 0.506 1188 N N -1.120 117.175 118.700 -0.676 0.000 2.741 1188 N HA -0.207 4.533 4.740 0.001 0.000 0.251 1188 N C 1.237 176.476 175.510 -0.452 0.000 1.112 1188 N CA 1.995 54.853 53.050 -0.320 0.000 0.750 1188 N CB -1.588 36.868 38.487 -0.051 0.000 1.119 1188 N HN 0.715 nan 8.380 nan 0.000 0.561 1189 W N 0.546 121.743 121.300 -0.172 0.000 2.321 1189 W HA -0.161 4.500 4.660 0.001 0.000 0.306 1189 W C 2.505 178.909 176.519 -0.192 0.000 1.217 1189 W CA 0.919 58.188 57.345 -0.128 0.000 1.257 1189 W CB -0.766 28.648 29.460 -0.076 0.000 1.145 1189 W HN 0.303 nan 8.180 nan 0.000 0.509 1190 G N -0.340 108.240 108.800 -0.367 0.000 2.442 1190 G HA2 -0.269 3.691 3.960 0.001 0.000 0.219 1190 G HA3 -0.269 3.691 3.960 0.001 0.000 0.219 1190 G C 1.213 176.095 174.900 -0.030 0.000 1.141 1190 G CA 1.370 46.365 45.100 -0.175 0.000 0.763 1190 G HN 0.298 nan 8.290 nan 0.000 0.554 1191 H N 0.285 119.363 119.070 0.014 0.000 2.389 1191 H HA 0.105 4.662 4.556 0.001 0.000 0.299 1191 H C 2.717 178.044 175.328 -0.001 0.000 1.081 1191 H CA 0.728 56.770 56.048 -0.011 0.000 1.345 1191 H CB -0.314 29.453 29.762 0.010 0.000 1.393 1191 H HN 0.277 nan 8.280 nan 0.000 0.520 1192 L N 0.433 121.752 121.223 0.159 0.000 2.201 1192 L HA -0.143 4.198 4.340 0.001 0.000 0.212 1192 L C 1.931 178.908 176.870 0.178 0.000 1.105 1192 L CA 0.850 55.786 54.840 0.159 0.000 0.775 1192 L CB -0.180 42.004 42.059 0.208 0.000 0.913 1192 L HN 0.112 nan 8.230 nan 0.000 0.440 1193 D N -0.124 120.397 120.400 0.202 0.000 2.144 1193 D HA -0.164 4.476 4.640 0.001 0.000 0.200 1193 D C 2.277 178.677 176.300 0.167 0.000 0.978 1193 D CA 1.049 55.226 54.000 0.294 0.000 0.833 1193 D CB -0.047 40.965 40.800 0.352 0.000 0.961 1193 D HN 0.412 nan 8.370 nan 0.000 0.470 1194 Q N 0.198 120.027 119.800 0.049 0.000 2.079 1194 Q HA -0.066 4.274 4.340 0.001 0.000 0.200 1194 Q C 2.373 178.320 176.000 -0.088 0.000 0.974 1194 Q CA 0.700 56.445 55.803 -0.096 0.000 0.840 1194 Q CB 0.088 28.727 28.738 -0.165 0.000 0.898 1194 Q HN 0.114 nan 8.270 nan 0.000 0.430 1195 V N 0.918 120.828 119.914 -0.007 0.000 2.427 1195 V HA -0.261 3.860 4.120 0.001 0.000 0.248 1195 V C 2.220 178.332 176.094 0.029 0.000 1.051 1195 V CA 1.752 64.063 62.300 0.019 0.000 1.048 1195 V CB -0.854 31.000 31.823 0.051 0.000 0.666 1195 V HN 0.404 nan 8.190 nan 0.000 0.456 1196 A N -0.059 122.800 122.820 0.065 0.000 1.933 1196 A HA -0.102 4.218 4.320 0.001 0.000 0.218 1196 A C 2.403 179.981 177.584 -0.010 0.000 1.175 1196 A CA 2.007 54.124 52.037 0.133 0.000 0.628 1196 A CB -0.678 18.512 19.000 0.317 0.000 0.814 1196 A HN 0.561 nan 8.150 nan 0.000 0.444 1197 A N -0.393 122.158 122.820 -0.448 0.000 1.930 1197 A HA 0.032 4.352 4.320 0.001 0.000 0.217 1197 A C 2.130 179.613 177.584 -0.168 0.000 1.175 1197 A CA 1.336 52.881 52.037 -0.820 0.000 0.627 1197 A CB -0.523 17.759 19.000 -1.196 0.000 0.815 1197 A HN 0.460 nan 8.150 nan 0.000 0.443 1198 L N -1.210 119.963 121.223 -0.084 0.000 2.141 1198 L HA -0.127 4.214 4.340 0.001 0.000 0.209 1198 L C 2.749 179.668 176.870 0.082 0.000 1.094 1198 L CA 1.534 56.393 54.840 0.032 0.000 0.763 1198 L CB -0.351 41.733 42.059 0.042 0.000 0.908 1198 L HN 0.452 nan 8.230 nan 0.000 0.437 1199 R N -0.619 119.933 120.500 0.087 0.000 2.115 1199 R HA -0.222 4.118 4.340 0.001 0.000 0.226 1199 R C 2.212 178.589 176.300 0.128 0.000 1.100 1199 R CA 1.372 57.529 56.100 0.095 0.000 0.980 1199 R CB -0.321 30.041 30.300 0.103 0.000 0.875 1199 R HN 0.402 nan 8.270 nan 0.000 0.445 1200 W N 0.111 121.422 121.300 0.020 0.000 2.388 1200 W HA -0.136 4.525 4.660 0.000 0.000 0.294 1200 W C 1.541 178.079 176.519 0.033 0.000 1.212 1200 W CA 1.099 58.478 57.345 0.057 0.000 1.271 1200 W CB -0.121 29.408 29.460 0.115 0.000 1.126 1200 W HN -0.158 nan 8.180 nan 0.000 0.535 1201 V N 1.154 121.227 119.914 0.265 0.000 2.407 1201 V HA -0.342 3.779 4.120 0.001 0.000 0.248 1201 V C 2.522 178.582 176.094 -0.058 0.000 1.055 1201 V CA 2.024 64.396 62.300 0.119 0.000 1.049 1201 V CB -0.971 30.968 31.823 0.192 0.000 0.662 1201 V HN 0.216 nan 8.190 nan 0.000 0.455 1202 Q N -0.213 119.573 119.800 -0.024 0.000 2.124 1202 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 1202 Q C 1.944 177.874 176.000 -0.116 0.000 0.977 1202 Q CA 1.538 57.320 55.803 -0.035 0.000 0.850 1202 Q CB -0.434 28.303 28.738 -0.002 0.000 0.901 1202 Q HN 0.665 nan 8.270 nan 0.000 0.429 1203 D N -0.446 119.831 120.400 -0.204 0.000 2.289 1203 D HA -0.007 4.633 4.640 0.001 0.000 0.207 1203 D C 1.083 177.161 176.300 -0.370 0.000 0.966 1203 D CA 0.494 54.339 54.000 -0.260 0.000 0.868 1203 D CB 0.148 40.790 40.800 -0.263 0.000 0.943 1203 D HN 0.284 nan 8.370 nan 0.000 0.514 1204 N N -0.128 118.235 118.700 -0.562 0.000 2.360 1204 N HA 0.017 4.758 4.740 0.001 0.000 0.211 1204 N C 1.630 176.994 175.510 -0.243 0.000 1.147 1204 N CA -0.219 52.491 53.050 -0.567 0.000 0.866 1204 N CB 0.829 38.586 38.487 -1.216 0.000 1.206 1204 N HN -0.026 nan 8.380 nan 0.000 0.478 1205 I N 2.880 123.324 120.570 -0.211 0.000 2.300 1205 I HA -0.244 3.926 4.170 0.001 0.000 0.252 1205 I C 2.260 178.454 176.117 0.128 0.000 1.119 1205 I CA 0.715 62.043 61.300 0.046 0.000 1.384 1205 I CB -0.382 37.644 38.000 0.044 0.000 1.062 1205 I HN 0.097 nan 8.210 nan 0.000 0.426 1206 A N -0.982 121.850 122.820 0.020 0.000 1.948 1206 A HA -0.255 4.065 4.320 0.001 0.000 0.220 1206 A C 2.461 180.043 177.584 -0.003 0.000 1.177 1206 A CA 2.279 54.320 52.037 0.006 0.000 0.636 1206 A CB -1.058 17.918 19.000 -0.040 0.000 0.815 1206 A HN 0.475 nan 8.150 nan 0.000 0.449 1207 S N -0.920 114.751 115.700 -0.048 0.000 2.419 1207 S HA -0.081 4.389 4.470 0.001 0.000 0.233 1207 S C 0.946 175.332 174.600 -0.357 0.000 1.016 1207 S CA 1.200 59.260 58.200 -0.234 0.000 0.974 1207 S CB -0.424 62.536 63.200 -0.399 0.000 0.786 1207 S HN 0.576 nan 8.310 nan 0.000 0.492 1208 F N 0.826 120.733 119.950 -0.070 0.000 2.660 1208 F HA 0.377 4.905 4.527 0.000 0.000 0.302 1208 F C 1.693 177.516 175.800 0.038 0.000 1.103 1208 F CA -0.051 57.926 58.000 -0.038 0.000 1.340 1208 F CB -0.284 38.679 39.000 -0.061 0.000 1.048 1208 F HN 0.245 nan 8.300 nan 0.000 0.551 1209 G N 0.209 109.093 108.800 0.139 0.000 2.141 1209 G HA2 -0.164 3.796 3.960 0.001 0.000 0.242 1209 G HA3 -0.164 3.796 3.960 0.001 0.000 0.242 1209 G C 0.536 175.506 174.900 0.117 0.000 0.982 1209 G CA -0.213 44.956 45.100 0.116 0.000 0.662 1209 G HN 0.761 nan 8.290 nan 0.000 0.527 1210 G N -0.591 108.287 108.800 0.130 0.000 2.412 1210 G HA2 0.505 4.465 3.960 0.001 0.000 0.318 1210 G HA3 0.505 4.465 3.960 0.001 0.000 0.318 1210 G C -0.314 174.625 174.900 0.065 0.000 1.146 1210 G CA -0.239 44.925 45.100 0.107 0.000 0.882 1210 G HN 0.441 nan 8.290 nan 0.000 0.501 1211 N N 1.813 120.542 118.700 0.048 0.000 2.469 1211 N HA 0.266 5.007 4.740 0.001 0.000 0.239 1211 N C -0.997 174.525 175.510 0.020 0.000 1.053 1211 N CA -2.463 50.597 53.050 0.016 0.000 0.937 1211 N CB 1.782 40.264 38.487 -0.009 0.000 1.163 1211 N HN 0.111 nan 8.380 nan 0.000 0.509 1212 P HA -0.064 nan 4.420 nan 0.000 0.221 1212 P C 0.931 178.268 177.300 0.061 0.000 1.145 1212 P CA 0.812 63.940 63.100 0.046 0.000 0.795 1212 P CB 0.117 31.824 31.700 0.012 0.000 0.775 1213 G N -0.900 107.868 108.800 -0.053 0.000 2.920 1213 G HA2 -0.017 3.943 3.960 0.001 0.000 0.208 1213 G HA3 -0.017 3.943 3.960 0.001 0.000 0.208 1213 G C 0.579 175.122 174.900 -0.596 0.000 1.159 1213 G CA 0.163 45.118 45.100 -0.241 0.000 0.784 1213 G HN 0.368 nan 8.290 nan 0.000 0.535 1214 S N 0.027 115.582 115.700 -0.241 0.000 2.440 1214 S HA 0.419 4.889 4.470 0.001 0.000 0.142 1214 S C -0.790 173.905 174.600 0.159 0.000 1.578 1214 S CA -0.452 57.667 58.200 -0.135 0.000 1.260 1214 S CB 0.325 63.455 63.200 -0.117 0.000 1.407 1214 S HN -0.046 nan 8.310 nan 0.000 0.392 1215 V N 3.242 123.438 119.914 0.471 0.000 2.394 1215 V HA 0.508 4.628 4.120 0.001 0.000 0.282 1215 V C 0.370 176.624 176.094 0.268 0.000 1.031 1215 V CA -0.342 62.139 62.300 0.302 0.000 0.881 1215 V CB 1.573 33.553 31.823 0.262 0.000 0.982 1215 V HN 0.639 nan 8.190 nan 0.000 0.451 1216 T N 6.597 121.258 114.554 0.179 0.000 2.771 1216 T HA 0.612 4.962 4.350 0.001 0.000 0.281 1216 T C -0.116 174.698 174.700 0.190 0.000 0.982 1216 T CA -0.170 62.016 62.100 0.143 0.000 0.978 1216 T CB 0.883 69.764 68.868 0.022 0.000 0.930 1216 T HN 0.631 nan 8.240 nan 0.000 0.447 1217 I N 1.674 122.333 120.570 0.148 0.000 2.392 1217 I HA 0.898 5.069 4.170 0.001 0.000 0.295 1217 I C -0.964 175.333 176.117 0.299 0.000 0.985 1217 I CA -1.039 60.348 61.300 0.145 0.000 1.221 1217 I CB 1.170 39.039 38.000 -0.220 0.000 1.366 1217 I HN 0.522 nan 8.210 nan 0.000 0.467 1218 F N 2.745 122.694 119.950 -0.001 0.000 2.654 1218 F HA 0.994 5.521 4.527 0.001 0.000 0.308 1218 F C -0.537 175.164 175.800 -0.164 0.000 1.108 1218 F CA -1.278 56.751 58.000 0.048 0.000 0.957 1218 F CB 1.195 40.354 39.000 0.265 0.000 1.309 1218 F HN 0.878 nan 8.300 nan 0.000 0.446 1219 G N 1.083 109.681 108.800 -0.337 0.000 2.547 1219 G HA2 0.547 4.508 3.960 0.001 0.000 0.291 1219 G HA3 0.547 4.508 3.960 0.001 0.000 0.291 1219 G C -2.413 172.235 174.900 -0.420 0.000 1.471 1219 G CA -0.737 43.733 45.100 -1.049 0.000 0.798 1219 G HN 1.099 nan 8.290 nan 0.000 0.504 1220 E N -0.504 119.464 120.200 -0.387 0.000 2.277 1220 E HA 0.790 5.140 4.350 0.001 0.000 0.266 1220 E C 0.662 177.296 176.600 0.057 0.000 0.901 1220 E CA 0.052 56.449 56.400 -0.005 0.000 0.782 1220 E CB 1.917 31.693 29.700 0.127 0.000 1.228 1220 E HN 1.337 nan 8.360 nan 0.000 0.424 1221 S N 1.579 117.391 115.700 0.188 0.000 4.140 1221 S HA -0.383 4.087 4.470 0.001 0.000 0.618 1221 S C 1.547 176.249 174.600 0.171 0.000 1.896 1221 S CA 2.193 60.599 58.200 0.343 0.000 4.240 1221 S CB -1.827 61.680 63.200 0.511 0.000 0.208 1221 S HN 1.518 nan 8.310 nan 0.000 0.487 1222 A N 0.993 123.904 122.820 0.152 0.000 2.019 1222 A HA 0.167 4.487 4.320 0.001 0.000 0.219 1222 A C 2.398 179.960 177.584 -0.037 0.000 1.164 1222 A CA 2.407 54.477 52.037 0.055 0.000 0.644 1222 A CB -1.450 17.606 19.000 0.093 0.000 0.805 1222 A HN 1.545 nan 8.150 nan 0.000 0.449 1223 G N -0.737 108.006 108.800 -0.095 0.000 2.421 1223 G HA2 0.098 4.058 3.960 0.001 0.000 0.217 1223 G HA3 0.098 4.058 3.960 0.001 0.000 0.217 1223 G C 1.437 176.185 174.900 -0.253 0.000 1.143 1223 G CA 1.121 46.039 45.100 -0.302 0.000 0.784 1223 G HN 0.652 nan 8.290 nan 0.000 0.541 1224 G N 0.245 108.973 108.800 -0.121 0.000 2.403 1224 G HA2 -0.109 3.851 3.960 0.001 0.000 0.216 1224 G HA3 -0.109 3.851 3.960 0.001 0.000 0.216 1224 G C 1.547 176.417 174.900 -0.050 0.000 1.154 1224 G CA 1.034 46.105 45.100 -0.048 0.000 0.784 1224 G HN 0.407 nan 8.290 nan 0.000 0.538 1225 E N 1.092 121.262 120.200 -0.049 0.000 2.072 1225 E HA -0.100 4.250 4.350 0.001 0.000 0.191 1225 E C 2.544 179.071 176.600 -0.122 0.000 0.985 1225 E CA 1.169 57.525 56.400 -0.073 0.000 0.801 1225 E CB -0.285 29.377 29.700 -0.063 0.000 0.750 1225 E HN 0.308 nan 8.360 nan 0.000 0.452 1226 S N 0.189 115.814 115.700 -0.125 0.000 2.353 1226 S HA -0.137 4.334 4.470 0.001 0.000 0.222 1226 S C 2.155 176.599 174.600 -0.260 0.000 1.035 1226 S CA 1.300 59.400 58.200 -0.167 0.000 1.025 1226 S CB -0.319 62.748 63.200 -0.220 0.000 0.902 1226 S HN 0.153 nan 8.310 nan 0.000 0.440 1227 V N 1.228 120.990 119.914 -0.253 0.000 2.287 1227 V HA -0.190 3.931 4.120 0.001 0.000 0.248 1227 V C 2.584 178.493 176.094 -0.308 0.000 1.053 1227 V CA 2.084 64.205 62.300 -0.298 0.000 1.027 1227 V CB -0.908 30.798 31.823 -0.194 0.000 0.646 1227 V HN 0.548 nan 8.190 nan 0.000 0.447 1228 S N -0.701 114.890 115.700 -0.182 0.000 2.370 1228 S HA -0.188 4.282 4.470 0.001 0.000 0.226 1228 S C 1.964 176.422 174.600 -0.237 0.000 1.033 1228 S CA 1.954 60.063 58.200 -0.152 0.000 1.011 1228 S CB -0.220 62.956 63.200 -0.041 0.000 0.852 1228 S HN 0.324 nan 8.310 nan 0.000 0.457 1229 V N 1.875 121.635 119.914 -0.257 0.000 2.358 1229 V HA -0.091 4.029 4.120 0.001 0.000 0.246 1229 V C 2.322 178.257 176.094 -0.265 0.000 1.047 1229 V CA 1.684 63.806 62.300 -0.297 0.000 1.035 1229 V CB -0.577 30.972 31.823 -0.456 0.000 0.658 1229 V HN 0.489 nan 8.190 nan 0.000 0.452 1230 L N -0.603 120.450 121.223 -0.283 0.000 2.131 1230 L HA -0.151 4.189 4.340 0.001 0.000 0.210 1230 L C 2.410 179.270 176.870 -0.017 0.000 1.092 1230 L CA 0.966 55.691 54.840 -0.192 0.000 0.759 1230 L CB -0.622 41.241 42.059 -0.328 0.000 0.903 1230 L HN 0.208 nan 8.230 nan 0.000 0.435 1231 V N 0.098 119.931 119.914 -0.135 0.000 2.515 1231 V HA -0.228 3.892 4.120 0.001 0.000 0.250 1231 V C 2.031 178.139 176.094 0.022 0.000 1.058 1231 V CA 1.405 63.708 62.300 0.005 0.000 1.064 1231 V CB -0.194 31.375 31.823 -0.422 0.000 0.675 1231 V HN 0.401 nan 8.190 nan 0.000 0.461 1232 L N -0.849 120.304 121.223 -0.117 0.000 2.607 1232 L HA 0.203 4.543 4.340 0.001 0.000 0.228 1232 L C 1.038 177.917 176.870 0.015 0.000 1.123 1232 L CA 0.146 54.913 54.840 -0.122 0.000 0.890 1232 L CB 0.176 42.095 42.059 -0.234 0.000 1.103 1232 L HN 0.190 nan 8.230 nan 0.000 0.468 1233 S N 1.014 116.738 115.700 0.040 0.000 2.457 1233 S HA 0.301 4.772 4.470 0.001 0.000 0.289 1233 S C -1.297 173.338 174.600 0.058 0.000 1.163 1233 S CA -1.493 56.725 58.200 0.030 0.000 1.078 1233 S CB 1.098 64.286 63.200 -0.019 0.000 0.987 1233 S HN -0.028 nan 8.310 nan 0.000 0.482 1234 P HA -0.054 nan 4.420 nan 0.000 0.225 1234 P C 1.258 178.540 177.300 -0.029 0.000 1.148 1234 P CA 0.714 63.816 63.100 0.002 0.000 0.779 1234 P CB 0.112 31.817 31.700 0.008 0.000 0.780 1235 L N -0.893 120.325 121.223 -0.008 0.000 2.313 1235 L HA 0.031 4.372 4.340 0.001 0.000 0.214 1235 L C 2.379 179.246 176.870 -0.005 0.000 1.119 1235 L CA 1.142 55.980 54.840 -0.004 0.000 0.809 1235 L CB -0.602 41.465 42.059 0.014 0.000 0.933 1235 L HN -0.030 nan 8.230 nan 0.000 0.449 1236 A N -1.053 121.776 122.820 0.015 0.000 2.267 1236 A HA -0.005 4.315 4.320 0.001 0.000 0.213 1236 A C 1.916 179.417 177.584 -0.138 0.000 1.192 1236 A CA -0.043 52.036 52.037 0.070 0.000 0.851 1236 A CB 0.019 19.198 19.000 0.298 0.000 0.881 1236 A HN 0.147 nan 8.150 nan 0.000 0.494 1237 K N 0.327 120.535 120.400 -0.319 0.000 2.063 1237 K HA -0.258 4.062 4.320 0.001 0.000 0.225 1237 K C 0.222 176.330 176.600 -0.820 0.000 0.954 1237 K CA 2.208 58.046 56.287 -0.747 0.000 0.988 1237 K CB -0.253 32.002 32.500 -0.409 0.000 0.842 1237 K HN 0.476 nan 8.250 nan 0.000 0.475 1238 N N 0.543 118.985 118.700 -0.429 0.000 2.546 1238 N HA 0.110 4.851 4.740 0.001 0.000 0.286 1238 N C 0.115 175.459 175.510 -0.276 0.000 1.259 1238 N CA 0.123 52.966 53.050 -0.345 0.000 0.939 1238 N CB 0.508 38.882 38.487 -0.188 0.000 1.243 1238 N HN 0.207 nan 8.380 nan 0.000 0.511 1239 L N -0.359 120.692 121.223 -0.287 0.000 2.766 1239 L HA 0.309 4.649 4.340 0.001 0.000 0.242 1239 L C -0.337 176.500 176.870 -0.055 0.000 1.136 1239 L CA 0.098 54.883 54.840 -0.091 0.000 0.933 1239 L CB 0.023 42.117 42.059 0.058 0.000 1.241 1239 L HN 0.041 nan 8.230 nan 0.000 0.522 1240 F N -4.134 115.593 119.950 -0.373 0.000 2.686 1240 F HA 0.485 5.012 4.527 0.000 0.000 0.311 1240 F C 0.394 175.807 175.800 -0.644 0.000 1.128 1240 F CA -0.947 56.807 58.000 -0.410 0.000 0.946 1240 F CB 0.858 39.783 39.000 -0.125 0.000 1.336 1240 F HN -0.117 nan 8.300 nan 0.000 0.457 1241 H N -0.453 118.700 119.070 0.138 0.000 3.440 1241 H HA 0.408 4.964 4.556 0.000 0.000 0.259 1241 H C -0.319 175.035 175.328 0.043 0.000 1.120 1241 H CA -0.252 55.803 56.048 0.012 0.000 1.191 1241 H CB 0.747 30.493 29.762 -0.028 0.000 1.537 1241 H HN 0.360 nan 8.280 nan 0.000 0.547 1242 R N 0.868 121.504 120.500 0.226 0.000 2.774 1242 R HA 0.785 5.126 4.340 0.001 0.000 0.272 1242 R C -1.029 175.431 176.300 0.267 0.000 1.000 1242 R CA -0.866 55.297 56.100 0.104 0.000 0.906 1242 R CB 2.068 32.237 30.300 -0.217 0.000 1.227 1242 R HN 0.115 nan 8.270 nan 0.000 0.468 1243 A N 1.441 124.452 122.820 0.318 0.000 2.520 1243 A HA 0.801 5.122 4.320 0.001 0.000 0.298 1243 A C -1.124 176.685 177.584 0.376 0.000 1.051 1243 A CA -0.716 51.426 52.037 0.175 0.000 0.690 1243 A CB 1.460 20.339 19.000 -0.202 0.000 1.281 1243 A HN 0.580 nan 8.150 nan 0.000 0.402 1244 I N 1.370 122.103 120.570 0.272 0.000 2.512 1244 I HA 0.346 4.517 4.170 0.001 0.000 0.287 1244 I C -0.350 175.923 176.117 0.260 0.000 1.069 1244 I CA -0.297 61.129 61.300 0.210 0.000 1.056 1244 I CB 2.423 40.478 38.000 0.091 0.000 1.229 1244 I HN 0.493 nan 8.210 nan 0.000 0.429 1245 S N 5.035 120.863 115.700 0.213 0.000 2.474 1245 S HA 0.364 4.834 4.470 0.001 0.000 0.321 1245 S C -0.530 174.151 174.600 0.135 0.000 1.080 1245 S CA -0.639 57.651 58.200 0.150 0.000 1.106 1245 S CB 0.992 64.269 63.200 0.128 0.000 0.984 1245 S HN 0.480 nan 8.310 nan 0.000 0.464 1246 E N 1.850 122.175 120.200 0.208 0.000 2.055 1246 E HA 0.365 4.715 4.350 0.001 0.000 0.274 1246 E C -0.489 176.209 176.600 0.164 0.000 0.949 1246 E CA -0.512 56.051 56.400 0.272 0.000 0.775 1246 E CB 0.925 30.868 29.700 0.405 0.000 1.097 1246 E HN 0.621 nan 8.360 nan 0.000 0.404 1247 S N 2.025 117.797 115.700 0.121 0.000 3.667 1247 S HA -0.102 4.368 4.470 0.001 0.000 0.405 1247 S C 0.016 174.855 174.600 0.399 0.000 0.913 1247 S CA 0.469 58.785 58.200 0.192 0.000 1.288 1247 S CB -1.136 62.102 63.200 0.065 0.000 0.905 1247 S HN 0.975 nan 8.310 nan 0.000 0.550 1248 G N -0.957 108.010 108.800 0.278 0.000 2.238 1248 G HA2 0.515 4.475 3.960 0.001 0.000 0.276 1248 G HA3 0.515 4.475 3.960 0.001 0.000 0.276 1248 G C -0.870 174.060 174.900 0.050 0.000 1.744 1248 G CA 0.173 45.389 45.100 0.192 0.000 0.912 1248 G HN 1.603 nan 8.290 nan 0.000 0.744 1249 V N -1.034 118.869 119.914 -0.019 0.000 3.181 1249 V HA 0.921 5.041 4.120 0.001 0.000 0.307 1249 V C 1.378 177.418 176.094 -0.090 0.000 1.310 1249 V CA -0.021 62.253 62.300 -0.043 0.000 1.067 1249 V CB 0.986 32.780 31.823 -0.048 0.000 1.081 1249 V HN 2.290 nan 8.190 nan 0.000 0.453 1250 A N -0.401 122.361 122.820 -0.097 0.000 2.131 1250 A HA 0.095 4.415 4.320 0.001 0.000 0.220 1250 A C 1.556 179.059 177.584 -0.136 0.000 1.158 1250 A CA 1.857 53.818 52.037 -0.127 0.000 0.665 1250 A CB -0.764 18.153 19.000 -0.137 0.000 0.795 1250 A HN 0.843 nan 8.150 nan 0.000 0.460 1251 L N -0.667 120.475 121.223 -0.134 0.000 2.592 1251 L HA 0.046 4.386 4.340 0.001 0.000 0.227 1251 L C 0.399 177.145 176.870 -0.207 0.000 1.127 1251 L CA 0.083 54.829 54.840 -0.157 0.000 0.884 1251 L CB -0.217 41.764 42.059 -0.131 0.000 1.065 1251 L HN 0.088 nan 8.230 nan 0.000 0.457 1252 T N 0.730 115.155 114.554 -0.215 0.000 4.219 1252 T HA -0.006 4.345 4.350 0.001 0.000 0.263 1252 T C 1.584 176.118 174.700 -0.276 0.000 1.217 1252 T CA 0.436 62.359 62.100 -0.296 0.000 1.145 1252 T CB 0.083 68.765 68.868 -0.310 0.000 1.298 1252 T HN 0.436 nan 8.240 nan 0.000 0.999 1253 S N 1.562 117.094 115.700 -0.280 0.000 2.421 1253 S HA -0.198 4.272 4.470 0.001 0.000 0.239 1253 S C 2.134 176.591 174.600 -0.238 0.000 1.054 1253 S CA 1.504 59.549 58.200 -0.257 0.000 1.035 1253 S CB -0.794 62.226 63.200 -0.299 0.000 0.840 1253 S HN 0.482 nan 8.310 nan 0.000 0.475 1254 V N 1.196 120.954 119.914 -0.260 0.000 2.546 1254 V HA -0.083 4.038 4.120 0.001 0.000 0.254 1254 V C 2.017 177.998 176.094 -0.187 0.000 1.076 1254 V CA 2.110 64.279 62.300 -0.219 0.000 1.087 1254 V CB -0.478 31.211 31.823 -0.223 0.000 0.674 1254 V HN 0.691 nan 8.190 nan 0.000 0.470 1255 L N -0.691 120.416 121.223 -0.193 0.000 2.554 1255 L HA 0.217 4.558 4.340 0.001 0.000 0.225 1255 L C 0.267 177.031 176.870 -0.178 0.000 1.104 1255 L CA -0.094 54.632 54.840 -0.191 0.000 0.866 1255 L CB 0.489 42.443 42.059 -0.175 0.000 1.047 1255 L HN 0.077 nan 8.230 nan 0.000 0.468 1256 V N 0.954 120.771 119.914 -0.161 0.000 2.357 1256 V HA 0.222 4.342 4.120 0.001 0.000 0.284 1256 V C -0.123 175.898 176.094 -0.122 0.000 1.018 1256 V CA -0.833 61.386 62.300 -0.135 0.000 0.841 1256 V CB 1.411 33.155 31.823 -0.133 0.000 0.991 1256 V HN 0.147 nan 8.190 nan 0.000 0.437 1257 K N 4.557 124.895 120.400 -0.103 0.000 2.262 1257 K HA 0.529 4.850 4.320 0.001 0.000 0.282 1257 K C -0.689 175.867 176.600 -0.072 0.000 1.066 1257 K CA -0.755 55.481 56.287 -0.084 0.000 0.901 1257 K CB 1.010 33.464 32.500 -0.076 0.000 1.089 1257 K HN 0.503 nan 8.250 nan 0.000 0.476 1258 K N 1.261 121.622 120.400 -0.065 0.000 2.156 1258 K HA 0.713 5.033 4.320 0.001 0.000 0.250 1258 K C 0.379 176.957 176.600 -0.037 0.000 0.955 1258 K CA -0.647 55.607 56.287 -0.054 0.000 0.855 1258 K CB 1.528 33.993 32.500 -0.059 0.000 1.101 1258 K HN 0.687 nan 8.250 nan 0.000 0.434 1259 G N 0.679 109.460 108.800 -0.032 0.000 2.627 1259 G HA2 -0.173 3.787 3.960 0.001 0.000 0.214 1259 G HA3 -0.173 3.787 3.960 0.001 0.000 0.214 1259 G C -1.400 173.484 174.900 -0.026 0.000 1.331 1259 G CA -0.507 44.580 45.100 -0.022 0.000 0.891 1259 G HN 0.724 nan 8.290 nan 0.000 0.539 1260 D N 0.532 120.920 120.400 -0.019 0.000 2.339 1260 D HA 0.351 4.991 4.640 0.001 0.000 0.256 1260 D C 1.728 178.011 176.300 -0.028 0.000 1.214 1260 D CA 0.555 54.541 54.000 -0.023 0.000 0.877 1260 D CB 1.224 42.015 40.800 -0.014 0.000 1.111 1260 D HN 1.213 nan 8.370 nan 0.000 0.478 1261 V N 2.193 122.080 119.914 -0.046 0.000 3.647 1261 V HA 0.140 4.260 4.120 0.001 0.000 0.279 1261 V C 1.937 177.991 176.094 -0.066 0.000 1.314 1261 V CA 0.171 62.436 62.300 -0.058 0.000 1.125 1261 V CB 0.021 31.792 31.823 -0.086 0.000 0.907 1261 V HN 0.225 nan 8.190 nan 0.000 0.434 1262 K N 2.094 122.462 120.400 -0.054 0.000 2.063 1262 K HA -0.003 4.318 4.320 0.001 0.000 0.208 1262 K C -0.228 176.362 176.600 -0.018 0.000 1.048 1262 K CA 2.172 58.432 56.287 -0.045 0.000 0.928 1262 K CB -1.522 30.963 32.500 -0.025 0.000 0.713 1262 K HN 0.448 nan 8.250 nan 0.000 0.442 1263 P HA -0.156 nan 4.420 nan 0.000 0.217 1263 P C 1.300 178.615 177.300 0.025 0.000 1.150 1263 P CA 0.888 63.994 63.100 0.010 0.000 0.832 1263 P CB 0.027 31.732 31.700 0.009 0.000 0.787 1264 L N -0.838 120.398 121.223 0.023 0.000 2.141 1264 L HA -0.100 4.240 4.340 0.001 0.000 0.209 1264 L C 1.999 178.917 176.870 0.082 0.000 1.094 1264 L CA 1.799 56.672 54.840 0.056 0.000 0.763 1264 L CB -0.935 41.154 42.059 0.049 0.000 0.908 1264 L HN -0.044 nan 8.230 nan 0.000 0.437 1265 A N -0.078 122.758 122.820 0.027 0.000 1.902 1265 A HA -0.234 4.086 4.320 0.001 0.000 0.217 1265 A C 2.026 179.713 177.584 0.171 0.000 1.181 1265 A CA 1.676 53.747 52.037 0.057 0.000 0.623 1265 A CB -0.406 18.505 19.000 -0.147 0.000 0.818 1265 A HN 0.571 nan 8.150 nan 0.000 0.443 1266 E N -0.909 119.345 120.200 0.089 0.000 2.072 1266 E HA -0.205 4.146 4.350 0.001 0.000 0.190 1266 E C 2.234 178.876 176.600 0.070 0.000 0.982 1266 E CA 1.038 57.485 56.400 0.077 0.000 0.803 1266 E CB -0.168 29.559 29.700 0.044 0.000 0.755 1266 E HN 0.751 nan 8.360 nan 0.000 0.453 1267 Q N 0.548 120.388 119.800 0.067 0.000 2.170 1267 Q HA -0.171 4.169 4.340 0.001 0.000 0.203 1267 Q C 2.061 178.097 176.000 0.059 0.000 0.976 1267 Q CA 1.001 56.835 55.803 0.052 0.000 0.858 1267 Q CB 0.073 28.842 28.738 0.053 0.000 0.907 1267 Q HN 0.336 nan 8.270 nan 0.000 0.433 1268 I N -0.186 120.450 120.570 0.110 0.000 2.333 1268 I HA -0.174 3.996 4.170 0.001 0.000 0.246 1268 I C 2.375 178.511 176.117 0.032 0.000 1.106 1268 I CA 0.723 62.086 61.300 0.104 0.000 1.411 1268 I CB -0.383 37.751 38.000 0.223 0.000 1.082 1268 I HN 0.175 nan 8.210 nan 0.000 0.420 1269 A N 1.295 124.147 122.820 0.054 0.000 1.908 1269 A HA -0.183 4.137 4.320 0.001 0.000 0.218 1269 A C 2.287 179.863 177.584 -0.013 0.000 1.181 1269 A CA 1.576 53.610 52.037 -0.004 0.000 0.627 1269 A CB -0.810 18.215 19.000 0.040 0.000 0.818 1269 A HN 0.369 nan 8.150 nan 0.000 0.445 1270 I N -0.588 119.985 120.570 0.005 0.000 2.252 1270 I HA -0.195 3.975 4.170 0.001 0.000 0.245 1270 I C 2.454 178.561 176.117 -0.017 0.000 1.102 1270 I CA 1.672 62.969 61.300 -0.005 0.000 1.385 1270 I CB -0.559 37.442 38.000 0.002 0.000 1.064 1270 I HN 0.239 nan 8.210 nan 0.000 0.414 1271 T N 0.699 115.241 114.554 -0.020 0.000 2.881 1271 T HA -0.112 4.239 4.350 0.001 0.000 0.270 1271 T C 1.831 176.506 174.700 -0.041 0.000 1.068 1271 T CA 1.353 63.433 62.100 -0.034 0.000 1.131 1271 T CB -0.184 68.656 68.868 -0.045 0.000 0.871 1271 T HN 0.474 nan 8.240 nan 0.000 0.479 1272 A N 0.356 123.147 122.820 -0.048 0.000 2.169 1272 A HA 0.522 4.842 4.320 0.001 0.000 0.212 1272 A C 1.701 179.255 177.584 -0.050 0.000 1.153 1272 A CA 0.711 52.712 52.037 -0.061 0.000 0.756 1272 A CB -0.429 18.513 19.000 -0.097 0.000 0.813 1272 A HN 0.767 nan 8.150 nan 0.000 0.471 1273 G N -1.572 107.205 108.800 -0.038 0.000 2.270 1273 G HA2 -0.156 3.804 3.960 0.001 0.000 0.224 1273 G HA3 -0.156 3.804 3.960 0.001 0.000 0.224 1273 G C -0.142 174.740 174.900 -0.030 0.000 1.079 1273 G CA -0.149 44.933 45.100 -0.030 0.000 0.807 1273 G HN 0.615 nan 8.290 nan 0.000 0.492 1274 c N -0.262 118.321 118.600 -0.028 0.000 2.719 1274 c HA 0.774 5.345 4.570 0.001 0.000 0.327 1274 c C 0.901 174.987 174.090 -0.007 0.000 1.238 1274 c CA -0.995 55.320 56.329 -0.023 0.000 1.727 1274 c CB 1.780 44.267 42.510 -0.038 0.000 2.256 1274 c HN 0.603 nan 8.230 nan 0.000 0.489 1275 K N 0.339 120.740 120.400 0.001 0.000 2.117 1275 K HA 0.449 4.769 4.320 0.001 0.000 0.240 1275 K C 0.466 177.074 176.600 0.014 0.000 1.031 1275 K CA 0.120 56.411 56.287 0.008 0.000 0.909 1275 K CB 0.426 32.932 32.500 0.010 0.000 1.097 1275 K HN 0.868 nan 8.250 nan 0.000 0.492 1276 T N -3.229 111.335 114.554 0.016 0.000 3.460 1276 T HA 0.074 4.424 4.350 0.001 0.000 0.304 1276 T C 0.924 175.635 174.700 0.018 0.000 0.991 1276 T CA -0.478 61.636 62.100 0.023 0.000 0.975 1276 T CB 0.052 68.936 68.868 0.026 0.000 1.196 1276 T HN 0.426 nan 8.240 nan 0.000 0.490 1277 T N 2.848 117.409 114.554 0.011 0.000 2.665 1277 T HA -0.028 4.322 4.350 0.001 0.000 0.268 1277 T C 1.171 175.874 174.700 0.004 0.000 1.035 1277 T CA 2.013 64.116 62.100 0.005 0.000 1.151 1277 T CB -0.394 68.473 68.868 -0.001 0.000 0.862 1277 T HN 0.885 nan 8.240 nan 0.000 0.438 1278 T N -2.631 111.924 114.554 0.002 0.000 2.769 1278 T HA 0.466 4.817 4.350 0.001 0.000 0.306 1278 T C 0.853 175.555 174.700 0.004 0.000 1.400 1278 T CA -0.392 61.707 62.100 -0.001 0.000 1.007 1278 T CB 1.588 70.438 68.868 -0.031 0.000 1.392 1278 T HN -0.175 nan 8.240 nan 0.000 0.500 1279 S N 0.486 116.200 115.700 0.023 0.000 2.356 1279 S HA -0.035 4.435 4.470 0.001 0.000 0.223 1279 S C 2.515 177.108 174.600 -0.011 0.000 1.032 1279 S CA 1.411 59.648 58.200 0.062 0.000 1.005 1279 S CB -0.993 62.312 63.200 0.175 0.000 0.867 1279 S HN 0.984 nan 8.310 nan 0.000 0.449 1280 A N 0.983 123.649 122.820 -0.256 0.000 1.940 1280 A HA -0.075 4.245 4.320 0.001 0.000 0.219 1280 A C 2.330 179.860 177.584 -0.090 0.000 1.176 1280 A CA 1.580 53.407 52.037 -0.351 0.000 0.631 1280 A CB -0.826 17.796 19.000 -0.630 0.000 0.814 1280 A HN 0.357 nan 8.150 nan 0.000 0.446 1281 V N -0.393 119.487 119.914 -0.056 0.000 2.379 1281 V HA -0.260 3.860 4.120 0.001 0.000 0.245 1281 V C 2.602 178.732 176.094 0.059 0.000 1.044 1281 V CA 1.989 64.299 62.300 0.017 0.000 1.036 1281 V CB -0.593 31.230 31.823 -0.001 0.000 0.664 1281 V HN 0.572 nan 8.190 nan 0.000 0.453 1282 M N -0.505 119.123 119.600 0.048 0.000 2.080 1282 M HA -0.195 4.285 4.480 0.001 0.000 0.260 1282 M C 2.190 178.509 176.300 0.031 0.000 1.068 1282 M CA 1.859 57.193 55.300 0.057 0.000 1.109 1282 M CB -0.507 32.167 32.600 0.123 0.000 1.342 1282 M HN 0.263 nan 8.290 nan 0.000 0.405 1283 V N -0.815 119.149 119.914 0.083 0.000 2.343 1283 V HA -0.292 3.828 4.120 0.001 0.000 0.247 1283 V C 2.222 178.358 176.094 0.070 0.000 1.051 1283 V CA 2.344 64.681 62.300 0.062 0.000 1.036 1283 V CB -1.153 30.764 31.823 0.156 0.000 0.654 1283 V HN 0.488 nan 8.190 nan 0.000 0.451 1284 H N -0.459 118.612 119.070 0.003 0.000 2.319 1284 H HA -0.227 4.329 4.556 0.000 0.000 0.299 1284 H C 2.382 177.706 175.328 -0.007 0.000 1.092 1284 H CA 2.345 58.395 56.048 0.003 0.000 1.302 1284 H CB -0.650 29.103 29.762 -0.014 0.000 1.373 1284 H HN 0.468 nan 8.280 nan 0.000 0.497 1285 c N -0.072 118.493 118.600 -0.059 0.000 2.436 1285 c HA -0.084 4.487 4.570 0.001 0.000 0.277 1285 c C 2.840 176.849 174.090 -0.135 0.000 1.241 1285 c CA 1.034 57.292 56.329 -0.119 0.000 1.721 1285 c CB -1.430 41.053 42.510 -0.045 0.000 2.043 1285 c HN 0.668 nan 8.230 nan 0.000 0.472 1286 L N 0.398 121.538 121.223 -0.137 0.000 2.127 1286 L HA -0.148 4.192 4.340 0.001 0.000 0.211 1286 L C 2.997 179.859 176.870 -0.014 0.000 1.089 1286 L CA 1.539 56.290 54.840 -0.148 0.000 0.757 1286 L CB -0.720 41.106 42.059 -0.388 0.000 0.899 1286 L HN 0.400 nan 8.230 nan 0.000 0.434 1287 R N -0.214 120.300 120.500 0.023 0.000 2.189 1287 R HA -0.126 4.215 4.340 0.001 0.000 0.223 1287 R C 1.767 178.007 176.300 -0.101 0.000 1.092 1287 R CA 0.900 57.001 56.100 0.002 0.000 0.989 1287 R CB -0.061 30.247 30.300 0.013 0.000 0.876 1287 R HN 0.565 nan 8.270 nan 0.000 0.457 1288 Q N -0.032 119.677 119.800 -0.152 0.000 2.319 1288 Q HA 0.090 4.430 4.340 0.001 0.000 0.202 1288 Q C -0.027 175.915 176.000 -0.096 0.000 0.896 1288 Q CA 0.158 55.873 55.803 -0.147 0.000 0.942 1288 Q CB 0.602 29.211 28.738 -0.216 0.000 1.083 1288 Q HN -0.016 nan 8.270 nan 0.000 0.510 1289 K N 1.952 122.300 120.400 -0.086 0.000 2.168 1289 K HA 0.158 4.479 4.320 0.001 0.000 0.258 1289 K C 0.585 177.163 176.600 -0.037 0.000 1.010 1289 K CA 0.114 56.362 56.287 -0.065 0.000 0.929 1289 K CB 0.862 33.312 32.500 -0.082 0.000 0.998 1289 K HN 0.099 nan 8.250 nan 0.000 0.479 1290 T N -2.961 111.587 114.554 -0.010 0.000 2.881 1290 T HA 0.148 4.498 4.350 0.001 0.000 0.278 1290 T C 1.280 176.031 174.700 0.084 0.000 0.982 1290 T CA -0.620 61.494 62.100 0.023 0.000 0.989 1290 T CB 1.325 70.204 68.868 0.017 0.000 1.058 1290 T HN 0.591 nan 8.240 nan 0.000 0.529 1291 E N 0.398 120.674 120.200 0.127 0.000 2.038 1291 E HA -0.225 4.126 4.350 0.001 0.000 0.195 1291 E C 1.882 178.620 176.600 0.229 0.000 1.000 1291 E CA 1.740 58.286 56.400 0.244 0.000 0.803 1291 E CB -0.091 29.679 29.700 0.117 0.000 0.750 1291 E HN 0.817 nan 8.360 nan 0.000 0.448 1292 E N 0.197 120.466 120.200 0.116 0.000 2.110 1292 E HA -0.197 4.153 4.350 0.001 0.000 0.193 1292 E C 2.079 178.729 176.600 0.083 0.000 0.988 1292 E CA 1.009 57.463 56.400 0.090 0.000 0.804 1292 E CB -0.090 29.637 29.700 0.045 0.000 0.745 1292 E HN 0.406 nan 8.360 nan 0.000 0.458 1293 E N 0.970 121.206 120.200 0.060 0.000 2.047 1293 E HA -0.134 4.216 4.350 0.001 0.000 0.191 1293 E C 2.229 178.841 176.600 0.020 0.000 0.987 1293 E CA 0.761 57.176 56.400 0.025 0.000 0.799 1293 E CB -0.096 29.602 29.700 -0.003 0.000 0.752 1293 E HN 0.249 nan 8.360 nan 0.000 0.449 1294 L N 0.750 121.990 121.223 0.027 0.000 2.275 1294 L HA -0.132 4.208 4.340 0.001 0.000 0.215 1294 L C 2.446 179.367 176.870 0.085 0.000 1.119 1294 L CA 0.100 54.893 54.840 -0.078 0.000 0.790 1294 L CB -0.181 41.669 42.059 -0.348 0.000 0.919 1294 L HN 0.166 nan 8.230 nan 0.000 0.443 1295 L N -0.384 121.000 121.223 0.268 0.000 2.072 1295 L HA -0.109 4.231 4.340 0.001 0.000 0.205 1295 L C 2.511 179.471 176.870 0.150 0.000 1.079 1295 L CA 1.730 56.754 54.840 0.307 0.000 0.752 1295 L CB -0.510 41.689 42.059 0.234 0.000 0.906 1295 L HN 0.104 nan 8.230 nan 0.000 0.436 1296 E N -0.572 119.679 120.200 0.085 0.000 2.106 1296 E HA -0.148 4.202 4.350 0.001 0.000 0.192 1296 E C 2.074 178.681 176.600 0.011 0.000 0.984 1296 E CA 1.632 58.055 56.400 0.038 0.000 0.806 1296 E CB -0.476 29.235 29.700 0.019 0.000 0.750 1296 E HN 0.523 nan 8.360 nan 0.000 0.458 1297 T N 0.862 115.417 114.554 0.002 0.000 2.708 1297 T HA -0.122 4.228 4.350 0.001 0.000 0.266 1297 T C 1.956 176.633 174.700 -0.039 0.000 1.037 1297 T CA 1.871 63.951 62.100 -0.034 0.000 1.146 1297 T CB -0.461 68.373 68.868 -0.057 0.000 0.865 1297 T HN 0.183 nan 8.240 nan 0.000 0.435 1298 T N 2.287 116.863 114.554 0.036 0.000 2.720 1298 T HA -0.064 4.287 4.350 0.001 0.000 0.268 1298 T C 1.829 176.524 174.700 -0.008 0.000 1.037 1298 T CA 0.867 63.031 62.100 0.107 0.000 1.144 1298 T CB -0.379 68.661 68.868 0.287 0.000 0.864 1298 T HN 0.070 nan 8.240 nan 0.000 0.444 1299 L N 0.935 122.165 121.223 0.011 0.000 2.056 1299 L HA 0.049 4.390 4.340 0.001 0.000 0.207 1299 L C 2.360 179.176 176.870 -0.091 0.000 1.078 1299 L CA 1.600 56.429 54.840 -0.020 0.000 0.749 1299 L CB -0.716 41.348 42.059 0.009 0.000 0.901 1299 L HN 0.184 nan 8.230 nan 0.000 0.433 1300 K N -1.122 119.221 120.400 -0.096 0.000 2.103 1300 K HA -0.149 4.172 4.320 0.001 0.000 0.207 1300 K C 1.846 178.327 176.600 -0.198 0.000 1.048 1300 K CA 1.074 57.292 56.287 -0.114 0.000 0.930 1300 K CB -0.211 32.236 32.500 -0.088 0.000 0.716 1300 K HN 0.209 nan 8.250 nan 0.000 0.444 1301 M N 1.197 120.596 119.600 -0.335 0.000 2.629 1301 M HA -0.071 4.409 4.480 0.001 0.000 0.257 1301 M C -0.081 175.833 176.300 -0.643 0.000 1.071 1301 M CA 0.978 55.916 55.300 -0.604 0.000 1.077 1301 M CB -0.766 31.153 32.600 -1.136 0.000 1.423 1301 M HN 0.082 nan 8.290 nan 0.000 0.508 1302 K N 1.007 121.180 120.400 -0.380 0.000 3.540 1302 K HA -0.194 4.127 4.320 0.001 0.000 0.274 1302 K C -0.494 176.044 176.600 -0.103 0.000 0.890 1302 K CA 0.450 56.625 56.287 -0.188 0.000 0.701 1302 K CB -2.042 30.394 32.500 -0.107 0.000 1.523 1302 K HN 0.260 nan 8.250 nan 0.000 0.450 1303 F N 0.345 120.315 119.950 0.033 0.000 2.375 1303 F HA 0.188 4.716 4.527 0.000 0.000 0.313 1303 F C 2.039 177.858 175.800 0.032 0.000 1.176 1303 F CA -0.827 57.194 58.000 0.036 0.000 1.142 1303 F CB 0.469 39.502 39.000 0.054 0.000 1.275 1303 F HN 0.131 nan 8.300 nan 0.000 0.544 1304 L N 0.533 121.906 121.223 0.250 0.000 3.843 1304 L HA -0.257 4.084 4.340 0.001 0.000 0.411 1304 L C -0.320 176.615 176.870 0.108 0.000 1.205 1304 L CA 0.278 55.203 54.840 0.141 0.000 0.945 1304 L CB -2.014 40.117 42.059 0.121 0.000 1.929 1304 L HN 0.537 nan 8.230 nan 0.000 0.934 1305 S N 0.059 115.823 115.700 0.107 0.000 2.614 1305 S HA 0.642 5.113 4.470 0.001 0.000 0.275 1305 S C -0.722 173.910 174.600 0.053 0.000 1.161 1305 S CA -0.739 57.502 58.200 0.067 0.000 0.969 1305 S CB 1.839 65.062 63.200 0.040 0.000 1.059 1305 S HN 0.236 nan 8.310 nan 0.000 0.482 1306 L N 4.816 126.060 121.223 0.035 0.000 2.315 1306 L HA 0.464 4.804 4.340 0.001 0.000 0.283 1306 L C -0.677 176.165 176.870 -0.047 0.000 1.089 1306 L CA 0.186 55.020 54.840 -0.009 0.000 0.833 1306 L CB 0.566 42.583 42.059 -0.070 0.000 1.170 1306 L HN 0.588 nan 8.230 nan 0.000 0.442 1307 D N 6.001 126.374 120.400 -0.045 0.000 2.312 1307 D HA 0.133 4.773 4.640 0.001 0.000 0.252 1307 D C 0.906 177.160 176.300 -0.077 0.000 1.150 1307 D CA 0.024 53.990 54.000 -0.056 0.000 0.870 1307 D CB 1.636 42.405 40.800 -0.052 0.000 1.153 1307 D HN 0.555 nan 8.370 nan 0.000 0.457 1308 L N 1.246 122.429 121.223 -0.067 0.000 2.463 1308 L HA -0.051 4.289 4.340 0.001 0.000 0.219 1308 L C 1.764 178.607 176.870 -0.046 0.000 1.088 1308 L CA 0.437 55.239 54.840 -0.064 0.000 0.849 1308 L CB 0.082 42.108 42.059 -0.056 0.000 1.012 1308 L HN 0.129 nan 8.230 nan 0.000 0.468 1309 Q N 0.546 120.321 119.800 -0.041 0.000 2.141 1309 Q HA 0.168 4.508 4.340 0.001 0.000 0.194 1309 Q C 1.548 177.528 176.000 -0.033 0.000 0.975 1309 Q CA 0.938 56.724 55.803 -0.028 0.000 0.834 1309 Q CB -0.777 27.948 28.738 -0.022 0.000 0.916 1309 Q HN 0.322 nan 8.270 nan 0.000 0.484 1310 G N 0.970 109.743 108.800 -0.045 0.000 2.413 1310 G HA2 -0.081 3.879 3.960 0.001 0.000 0.300 1310 G HA3 -0.081 3.879 3.960 0.001 0.000 0.300 1310 G C -0.397 174.457 174.900 -0.077 0.000 1.370 1310 G CA -0.196 44.874 45.100 -0.050 0.000 1.110 1310 G HN 0.249 nan 8.290 nan 0.000 0.596 1311 D N -0.302 120.047 120.400 -0.085 0.000 2.316 1311 D HA 0.212 4.853 4.640 0.001 0.000 0.245 1311 D C -1.424 174.730 176.300 -0.243 0.000 1.171 1311 D CA -1.646 52.278 54.000 -0.127 0.000 0.856 1311 D CB 1.719 42.479 40.800 -0.067 0.000 1.090 1311 D HN -0.128 nan 8.370 nan 0.000 0.476 1312 P HA -0.135 nan 4.420 nan 0.000 0.215 1312 P C 1.178 178.189 177.300 -0.480 0.000 1.157 1312 P CA 1.249 63.991 63.100 -0.596 0.000 0.874 1312 P CB 0.215 31.164 31.700 -1.252 0.000 0.790 1313 R N -0.297 119.811 120.500 -0.655 0.000 2.211 1313 R HA -0.157 4.183 4.340 0.001 0.000 0.240 1313 R C 1.794 177.981 176.300 -0.188 0.000 1.144 1313 R CA 1.282 57.053 56.100 -0.549 0.000 0.992 1313 R CB -0.463 29.578 30.300 -0.432 0.000 0.869 1313 R HN 0.450 nan 8.270 nan 0.000 0.462 1314 E N -0.344 119.767 120.200 -0.148 0.000 2.431 1314 E HA 0.038 4.389 4.350 0.001 0.000 0.200 1314 E C 0.136 176.712 176.600 -0.040 0.000 0.995 1314 E CA -0.173 56.189 56.400 -0.063 0.000 0.915 1314 E CB 0.563 30.229 29.700 -0.056 0.000 0.930 1314 E HN -0.044 nan 8.360 nan 0.000 0.496 1315 S N 2.654 118.311 115.700 -0.072 0.000 2.964 1315 S HA -0.117 4.354 4.470 0.001 0.000 0.356 1315 S C -0.020 174.590 174.600 0.018 0.000 1.118 1315 S CA 0.118 58.292 58.200 -0.044 0.000 1.581 1315 S CB -0.414 62.737 63.200 -0.081 0.000 1.227 1315 S HN 0.117 nan 8.310 nan 0.000 0.594 1316 Q N 1.287 121.110 119.800 0.040 0.000 2.430 1316 Q HA -0.127 4.213 4.340 0.001 0.000 0.365 1316 Q C -2.375 173.700 176.000 0.125 0.000 1.399 1316 Q CA 0.415 56.282 55.803 0.107 0.000 1.050 1316 Q CB -1.545 27.287 28.738 0.157 0.000 1.201 1316 Q HN 0.523 nan 8.270 nan 0.000 0.320 1317 P HA 0.013 nan 4.420 nan 0.000 0.265 1317 P C 0.264 177.624 177.300 0.101 0.000 1.187 1317 P CA 0.272 63.417 63.100 0.074 0.000 0.766 1317 P CB 0.554 32.292 31.700 0.063 0.000 0.820 1318 L N 2.957 124.185 121.223 0.008 0.000 2.344 1318 L HA 0.373 4.713 4.340 0.001 0.000 0.272 1318 L C 0.478 177.225 176.870 -0.205 0.000 1.035 1318 L CA -0.952 53.828 54.840 -0.099 0.000 0.807 1318 L CB 0.767 42.771 42.059 -0.091 0.000 1.237 1318 L HN 0.186 nan 8.230 nan 0.000 0.442 1319 L N 1.537 122.506 121.223 -0.423 0.000 2.426 1319 L HA 0.533 4.873 4.340 0.001 0.000 0.271 1319 L C 0.653 177.337 176.870 -0.309 0.000 1.169 1319 L CA 0.382 55.043 54.840 -0.298 0.000 0.836 1319 L CB 0.762 42.617 42.059 -0.340 0.000 1.112 1319 L HN 0.831 nan 8.230 nan 0.000 0.465 1320 G N 1.146 109.782 108.800 -0.273 0.000 2.435 1320 G HA2 0.186 4.146 3.960 0.001 0.000 0.296 1320 G HA3 0.186 4.146 3.960 0.001 0.000 0.296 1320 G C -1.159 173.559 174.900 -0.305 0.000 1.240 1320 G CA -0.612 44.202 45.100 -0.478 0.000 0.872 1320 G HN 0.353 nan 8.290 nan 0.000 0.480 1321 T N 0.617 115.033 114.554 -0.229 0.000 2.930 1321 T HA 0.489 4.839 4.350 0.001 0.000 0.306 1321 T C 0.612 175.296 174.700 -0.026 0.000 1.045 1321 T CA 0.562 62.669 62.100 0.012 0.000 1.134 1321 T CB 0.994 69.904 68.868 0.070 0.000 0.961 1321 T HN 1.521 nan 8.240 nan 0.000 0.545 1322 V N 0.060 119.970 119.914 -0.007 0.000 3.158 1322 V HA 0.645 4.765 4.120 0.001 0.000 0.311 1322 V C -0.774 175.284 176.094 -0.059 0.000 1.181 1322 V CA -1.330 60.938 62.300 -0.053 0.000 1.054 1322 V CB 1.786 33.563 31.823 -0.076 0.000 1.085 1322 V HN 0.596 nan 8.190 nan 0.000 0.446 1323 I N 3.345 123.875 120.570 -0.066 0.000 2.276 1323 I HA 0.314 4.484 4.170 0.001 0.000 0.290 1323 I C 0.656 176.732 176.117 -0.068 0.000 1.109 1323 I CA -0.033 61.229 61.300 -0.063 0.000 1.229 1323 I CB 0.081 38.048 38.000 -0.055 0.000 1.452 1323 I HN 0.959 nan 8.210 nan 0.000 0.497 1324 D N 3.580 123.934 120.400 -0.078 0.000 2.333 1324 D HA 0.026 4.667 4.640 0.001 0.000 0.208 1324 D C 1.411 177.672 176.300 -0.064 0.000 0.984 1324 D CA 0.922 54.868 54.000 -0.090 0.000 0.873 1324 D CB 0.504 41.222 40.800 -0.137 0.000 0.935 1324 D HN 0.670 nan 8.370 nan 0.000 0.521 1325 G N -0.071 108.699 108.800 -0.049 0.000 2.175 1325 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 1325 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 1325 G C 0.882 175.767 174.900 -0.025 0.000 0.982 1325 G CA 0.682 45.762 45.100 -0.033 0.000 0.641 1325 G HN 0.236 nan 8.290 nan 0.000 0.527 1326 M N -1.314 118.267 119.600 -0.032 0.000 3.127 1326 M HA 0.465 4.945 4.480 0.001 0.000 0.228 1326 M C 2.244 178.534 176.300 -0.018 0.000 1.558 1326 M CA 1.008 56.299 55.300 -0.016 0.000 1.349 1326 M CB -1.389 31.204 32.600 -0.010 0.000 1.098 1326 M HN 0.221 nan 8.290 nan 0.000 0.582 1327 L N 0.773 121.977 121.223 -0.032 0.000 2.027 1327 L HA 0.121 4.461 4.340 0.001 0.000 0.206 1327 L C 0.254 177.096 176.870 -0.046 0.000 1.074 1327 L CA 1.501 56.320 54.840 -0.034 0.000 0.745 1327 L CB 0.115 42.150 42.059 -0.040 0.000 0.898 1327 L HN 0.140 nan 8.230 nan 0.000 0.433 1328 L N -0.383 120.808 121.223 -0.053 0.000 2.381 1328 L HA 0.255 4.595 4.340 0.001 0.000 0.274 1328 L C 0.319 177.166 176.870 -0.039 0.000 0.988 1328 L CA -0.423 54.385 54.840 -0.053 0.000 0.824 1328 L CB 1.939 43.954 42.059 -0.073 0.000 1.263 1328 L HN 0.043 nan 8.230 nan 0.000 0.410 1329 L N 2.336 123.544 121.223 -0.025 0.000 2.477 1329 L HA 0.158 4.499 4.340 0.001 0.000 0.220 1329 L C 0.617 177.475 176.870 -0.020 0.000 1.106 1329 L CA 0.619 55.448 54.840 -0.019 0.000 0.851 1329 L CB -0.201 41.854 42.059 -0.006 0.000 0.994 1329 L HN 0.635 nan 8.230 nan 0.000 0.462 1330 K N -1.282 119.104 120.400 -0.024 0.000 2.507 1330 K HA 0.401 4.721 4.320 0.001 0.000 0.284 1330 K C -0.528 176.049 176.600 -0.038 0.000 1.038 1330 K CA -0.750 55.522 56.287 -0.025 0.000 0.903 1330 K CB 0.742 33.235 32.500 -0.012 0.000 1.531 1330 K HN -0.159 nan 8.250 nan 0.000 0.430 1331 T N -1.762 112.768 114.554 -0.040 0.000 2.900 1331 T HA 0.121 4.471 4.350 0.001 0.000 0.307 1331 T C -1.891 172.773 174.700 -0.059 0.000 1.065 1331 T CA -0.975 61.092 62.100 -0.054 0.000 1.105 1331 T CB 0.563 69.400 68.868 -0.053 0.000 0.979 1331 T HN 0.268 nan 8.240 nan 0.000 0.544 1332 P HA -0.111 nan 4.420 nan 0.000 0.216 1332 P C 1.286 178.543 177.300 -0.072 0.000 1.150 1332 P CA 1.103 64.146 63.100 -0.095 0.000 0.843 1332 P CB 0.058 31.689 31.700 -0.116 0.000 0.787 1333 E N 0.006 120.169 120.200 -0.061 0.000 2.038 1333 E HA -0.207 4.144 4.350 0.001 0.000 0.195 1333 E C 1.902 178.495 176.600 -0.012 0.000 1.000 1333 E CA 1.407 57.783 56.400 -0.039 0.000 0.803 1333 E CB -0.968 28.706 29.700 -0.044 0.000 0.750 1333 E HN 0.439 nan 8.360 nan 0.000 0.448 1334 E N 0.129 120.322 120.200 -0.011 0.000 2.204 1334 E HA -0.102 4.248 4.350 0.001 0.000 0.194 1334 E C 2.013 178.631 176.600 0.030 0.000 0.989 1334 E CA 0.527 56.932 56.400 0.008 0.000 0.824 1334 E CB -0.082 29.619 29.700 0.001 0.000 0.756 1334 E HN 0.225 nan 8.360 nan 0.000 0.477 1335 L N 0.642 121.875 121.223 0.018 0.000 2.156 1335 L HA -0.160 4.180 4.340 0.001 0.000 0.208 1335 L C 2.431 179.373 176.870 0.120 0.000 1.095 1335 L CA 0.977 55.847 54.840 0.051 0.000 0.770 1335 L CB -0.188 41.863 42.059 -0.013 0.000 0.914 1335 L HN 0.127 nan 8.230 nan 0.000 0.439 1336 Q N -0.164 119.671 119.800 0.057 0.000 2.123 1336 Q HA -0.085 4.255 4.340 0.001 0.000 0.199 1336 Q C 2.130 178.272 176.000 0.236 0.000 0.966 1336 Q CA 1.312 57.199 55.803 0.140 0.000 0.845 1336 Q CB -0.140 28.626 28.738 0.046 0.000 0.907 1336 Q HN 0.504 nan 8.270 nan 0.000 0.439 1337 A N 0.599 123.499 122.820 0.132 0.000 2.252 1337 A HA -0.107 4.213 4.320 0.001 0.000 0.207 1337 A C 1.502 179.145 177.584 0.099 0.000 1.194 1337 A CA 0.594 52.692 52.037 0.102 0.000 0.809 1337 A CB -0.144 18.893 19.000 0.062 0.000 0.814 1337 A HN 0.298 nan 8.150 nan 0.000 0.482 1338 E N -0.614 119.673 120.200 0.145 0.000 2.415 1338 E HA -0.006 4.344 4.350 0.001 0.000 0.197 1338 E C 0.556 177.190 176.600 0.057 0.000 1.007 1338 E CA -0.161 56.303 56.400 0.107 0.000 0.890 1338 E CB 0.081 29.859 29.700 0.131 0.000 0.891 1338 E HN 0.351 nan 8.360 nan 0.000 0.496 1339 R N -0.352 120.182 120.500 0.056 0.000 4.024 1339 R HA -0.293 4.047 4.340 0.001 0.000 0.372 1339 R C 0.998 177.098 176.300 -0.333 0.000 1.192 1339 R CA 1.291 57.268 56.100 -0.204 0.000 1.183 1339 R CB -2.422 27.804 30.300 -0.125 0.000 1.672 1339 R HN 0.318 nan 8.270 nan 0.000 0.571 1340 N N 1.326 119.946 118.700 -0.133 0.000 2.135 1340 N HA -0.094 4.646 4.740 0.001 0.000 0.186 1340 N C 0.673 176.128 175.510 -0.092 0.000 1.027 1340 N CA 1.079 54.083 53.050 -0.077 0.000 0.849 1340 N CB -0.159 38.353 38.487 0.041 0.000 1.002 1340 N HN 0.300 nan 8.380 nan 0.000 0.425 1341 F N 2.012 121.985 119.950 0.039 0.000 2.635 1341 F HA 0.040 4.567 4.527 0.000 0.000 0.379 1341 F C 0.884 176.730 175.800 0.076 0.000 1.094 1341 F CA -1.054 56.997 58.000 0.086 0.000 1.300 1341 F CB -0.515 38.533 39.000 0.080 0.000 1.035 1341 F HN 0.162 nan 8.300 nan 0.000 0.581 1342 H N 1.780 120.877 119.070 0.046 0.000 3.001 1342 H HA 0.158 4.715 4.556 0.001 0.000 0.334 1342 H C -0.110 175.225 175.328 0.012 0.000 1.034 1342 H CA -0.222 55.798 56.048 -0.047 0.000 1.420 1342 H CB 0.034 29.757 29.762 -0.065 0.000 1.405 1342 H HN 0.826 nan 8.280 nan 0.000 0.593 1343 T N 1.239 115.664 114.554 -0.215 0.000 2.845 1343 T HA 0.539 4.889 4.350 0.001 0.000 0.288 1343 T C 0.314 174.949 174.700 -0.109 0.000 0.980 1343 T CA -0.329 61.664 62.100 -0.178 0.000 1.071 1343 T CB 0.994 69.736 68.868 -0.210 0.000 0.941 1343 T HN 0.804 nan 8.240 nan 0.000 0.487 1344 V N -0.675 119.270 119.914 0.051 0.000 3.087 1344 V HA 0.696 4.816 4.120 0.001 0.000 0.306 1344 V C -3.262 173.009 176.094 0.295 0.000 1.187 1344 V CA -3.144 59.211 62.300 0.091 0.000 0.999 1344 V CB 1.527 33.359 31.823 0.015 0.000 1.049 1344 V HN 0.642 nan 8.190 nan 0.000 0.431 1345 P HA 0.167 nan 4.420 nan 0.000 0.264 1345 P C -1.440 176.190 177.300 0.550 0.000 1.183 1345 P CA 0.635 63.947 63.100 0.352 0.000 0.763 1345 P CB -0.081 31.655 31.700 0.060 0.000 0.807 1346 Y N 3.406 123.939 120.300 0.388 0.000 2.373 1346 Y HA 0.515 5.066 4.550 0.001 0.000 0.336 1346 Y C -0.704 175.214 175.900 0.031 0.000 0.979 1346 Y CA -1.464 56.700 58.100 0.108 0.000 1.080 1346 Y CB 1.512 39.682 38.460 -0.483 0.000 1.190 1346 Y HN 0.212 nan 8.280 nan 0.000 0.446 1347 M N 7.824 127.377 119.600 -0.078 0.000 2.167 1347 M HA 0.563 5.044 4.480 0.001 0.000 0.333 1347 M C -2.207 173.847 176.300 -0.410 0.000 1.030 1347 M CA -0.666 54.370 55.300 -0.440 0.000 0.963 1347 M CB 0.924 32.928 32.600 -0.993 0.000 1.589 1347 M HN 0.429 nan 8.290 nan 0.000 0.431 1348 V N 4.408 124.056 119.914 -0.442 0.000 2.540 1348 V HA 0.934 5.054 4.120 0.001 0.000 0.302 1348 V C 0.213 176.046 176.094 -0.436 0.000 1.035 1348 V CA -0.522 61.500 62.300 -0.463 0.000 0.873 1348 V CB 1.652 33.103 31.823 -0.619 0.000 0.992 1348 V HN 1.007 nan 8.190 nan 0.000 0.428 1349 G N 3.882 112.353 108.800 -0.548 0.000 2.690 1349 G HA2 0.850 4.811 3.960 0.001 0.000 0.291 1349 G HA3 0.850 4.811 3.960 0.001 0.000 0.291 1349 G C -1.374 173.142 174.900 -0.640 0.000 1.403 1349 G CA -0.615 43.781 45.100 -1.175 0.000 0.864 1349 G HN 0.934 nan 8.290 nan 0.000 0.480 1350 I N -2.297 117.976 120.570 -0.495 0.000 3.074 1350 I HA 0.592 4.763 4.170 0.001 0.000 0.310 1350 I C -0.972 175.189 176.117 0.074 0.000 1.153 1350 I CA -1.323 59.908 61.300 -0.115 0.000 0.993 1350 I CB 2.416 40.384 38.000 -0.055 0.000 1.237 1350 I HN 0.445 nan 8.210 nan 0.000 0.443 1351 N N 1.744 120.522 118.700 0.130 0.000 2.489 1351 N HA 0.204 4.945 4.740 0.001 0.000 0.284 1351 N C 0.231 175.840 175.510 0.165 0.000 1.158 1351 N CA -0.764 52.436 53.050 0.250 0.000 0.965 1351 N CB 1.686 40.321 38.487 0.246 0.000 1.195 1351 N HN 0.520 nan 8.380 nan 0.000 0.506 1352 K N 0.769 121.275 120.400 0.176 0.000 2.020 1352 K HA -0.155 4.165 4.320 0.001 0.000 0.212 1352 K C 0.152 176.824 176.600 0.119 0.000 1.050 1352 K CA 1.858 58.220 56.287 0.126 0.000 0.929 1352 K CB 0.095 32.655 32.500 0.100 0.000 0.714 1352 K HN 0.529 nan 8.250 nan 0.000 0.443 1353 Q N 0.483 120.361 119.800 0.130 0.000 2.815 1353 Q HA 0.103 4.443 4.340 0.001 0.000 0.329 1353 Q C -0.017 176.061 176.000 0.131 0.000 1.037 1353 Q CA -0.344 55.539 55.803 0.134 0.000 1.002 1353 Q CB 1.313 30.133 28.738 0.136 0.000 1.274 1353 Q HN 0.163 nan 8.270 nan 0.000 0.452 1354 E N 0.265 120.512 120.200 0.077 0.000 2.114 1354 E HA -0.209 4.141 4.350 0.001 0.000 0.199 1354 E C 0.467 177.099 176.600 0.055 0.000 1.008 1354 E CA 1.402 57.773 56.400 -0.048 0.000 0.810 1354 E CB 0.091 29.567 29.700 -0.373 0.000 0.739 1354 E HN 0.469 nan 8.360 nan 0.000 0.456 1355 F N 0.206 120.139 119.950 -0.029 0.000 2.750 1355 F HA 0.271 4.798 4.527 0.000 0.000 0.297 1355 F C 1.668 177.476 175.800 0.013 0.000 1.138 1355 F CA -0.163 57.816 58.000 -0.034 0.000 1.346 1355 F CB 0.412 39.369 39.000 -0.071 0.000 0.965 1355 F HN -0.063 nan 8.300 nan 0.000 0.514 1356 G N 0.325 109.194 108.800 0.114 0.000 2.418 1356 G HA2 -0.283 3.678 3.960 0.001 0.000 0.217 1356 G HA3 -0.283 3.678 3.960 0.001 0.000 0.217 1356 G C 1.017 176.020 174.900 0.172 0.000 1.158 1356 G CA 1.464 46.653 45.100 0.147 0.000 0.771 1356 G HN 0.632 nan 8.290 nan 0.000 0.545 1357 W N -1.377 119.866 121.300 -0.095 0.000 5.456 1357 W HA 0.264 4.924 4.660 0.001 0.000 0.165 1357 W C 1.745 178.182 176.519 -0.137 0.000 2.732 1357 W CA 0.313 57.601 57.345 -0.096 0.000 1.988 1357 W CB -0.680 28.771 29.460 -0.015 0.000 0.907 1357 W HN 0.028 nan 8.180 nan 0.000 1.066 1358 L N 2.300 123.394 121.223 -0.215 0.000 2.010 1358 L HA -0.241 4.099 4.340 0.001 0.000 0.219 1358 L C 2.059 178.596 176.870 -0.556 0.000 1.077 1358 L CA 2.962 57.468 54.840 -0.557 0.000 0.773 1358 L CB -1.172 40.934 42.059 0.078 0.000 0.892 1358 L HN 0.285 nan 8.230 nan 0.000 0.436 1359 I N -0.819 119.481 120.570 -0.451 0.000 2.163 1359 I HA -0.194 3.976 4.170 0.001 0.000 0.240 1359 I C -0.208 175.550 176.117 -0.598 0.000 1.081 1359 I CA 1.324 62.340 61.300 -0.473 0.000 1.353 1359 I CB -1.752 35.973 38.000 -0.460 0.000 1.054 1359 I HN 0.259 nan 8.210 nan 0.000 0.407 1360 P HA -0.176 nan 4.420 nan 0.000 0.215 1360 P C 1.159 178.276 177.300 -0.305 0.000 1.153 1360 P CA 1.197 63.900 63.100 -0.663 0.000 0.853 1360 P CB -0.056 31.213 31.700 -0.717 0.000 0.788 1364 M N 0.584 120.169 119.600 -0.025 0.000 2.628 1364 M HA 0.120 4.601 4.480 0.001 0.000 0.232 1364 M C 0.381 176.750 176.300 0.115 0.000 1.128 1364 M CA 0.263 55.620 55.300 0.094 0.000 1.040 1364 M CB 0.135 32.877 32.600 0.236 0.000 1.608 1364 M HN 0.223 nan 8.290 nan 0.000 0.507 1365 S N 0.456 116.191 115.700 0.059 0.000 3.524 1365 S HA -0.188 4.282 4.470 0.001 0.000 0.377 1365 S C -0.334 174.332 174.600 0.109 0.000 0.949 1365 S CA 0.287 58.521 58.200 0.057 0.000 1.264 1365 S CB -1.883 61.331 63.200 0.025 0.000 0.918 1365 S HN 0.448 nan 8.310 nan 0.000 0.517 1366 Y N 1.166 121.473 120.300 0.012 0.000 2.497 1366 Y HA 0.232 4.782 4.550 0.000 0.000 0.334 1366 Y C -1.404 174.541 175.900 0.075 0.000 1.199 1366 Y CA -1.265 56.880 58.100 0.075 0.000 1.425 1366 Y CB 0.342 38.875 38.460 0.122 0.000 1.291 1366 Y HN 0.105 nan 8.280 nan 0.000 0.562 1367 P HA 0.025 nan 4.420 nan 0.000 0.286 1367 P C -0.473 176.896 177.300 0.114 0.000 1.577 1367 P CA 0.843 63.964 63.100 0.035 0.000 0.805 1367 P CB -0.379 31.295 31.700 -0.043 0.000 1.706 1368 L N -0.931 120.408 121.223 0.194 0.000 3.084 1368 L HA 0.225 4.565 4.340 0.001 0.000 0.238 1368 L C 1.676 178.629 176.870 0.137 0.000 1.327 1368 L CA 0.067 55.021 54.840 0.190 0.000 1.094 1368 L CB -0.095 42.128 42.059 0.274 0.000 1.477 1368 L HN -0.004 nan 8.230 nan 0.000 0.514 1369 S N -0.068 115.691 115.700 0.100 0.000 2.461 1369 S HA -0.077 4.393 4.470 0.001 0.000 0.228 1369 S C 1.752 176.395 174.600 0.071 0.000 1.005 1369 S CA 0.930 59.178 58.200 0.082 0.000 0.942 1369 S CB 0.193 63.429 63.200 0.061 0.000 0.776 1369 S HN 0.470 nan 8.310 nan 0.000 0.514 1370 E N 0.403 120.642 120.200 0.066 0.000 2.230 1370 E HA 0.092 4.442 4.350 0.001 0.000 0.192 1370 E C 1.334 177.970 176.600 0.061 0.000 0.987 1370 E CA 0.684 57.117 56.400 0.054 0.000 0.841 1370 E CB -0.044 29.681 29.700 0.042 0.000 0.783 1370 E HN 0.629 nan 8.360 nan 0.000 0.481 1371 G N 2.122 110.970 108.800 0.079 0.000 2.176 1371 G HA2 -0.314 3.646 3.960 0.001 0.000 0.252 1371 G HA3 -0.314 3.646 3.960 0.001 0.000 0.252 1371 G C 0.114 175.058 174.900 0.072 0.000 1.024 1371 G CA 0.910 46.061 45.100 0.085 0.000 0.755 1371 G HN 0.348 nan 8.290 nan 0.000 0.507 1372 Q N -1.217 118.620 119.800 0.062 0.000 2.295 1372 Q HA 0.725 5.066 4.340 0.001 0.000 0.268 1372 Q C -1.804 174.213 176.000 0.029 0.000 1.010 1372 Q CA -0.982 54.849 55.803 0.046 0.000 0.856 1372 Q CB 1.683 30.442 28.738 0.036 0.000 1.349 1372 Q HN 0.488 nan 8.270 nan 0.000 0.412 1373 L N 3.567 124.801 121.223 0.017 0.000 2.434 1373 L HA 0.628 4.969 4.340 0.001 0.000 0.260 1373 L C -1.887 174.969 176.870 -0.023 0.000 0.983 1373 L CA -0.246 54.577 54.840 -0.029 0.000 0.820 1373 L CB 2.122 44.127 42.059 -0.089 0.000 1.361 1373 L HN 0.791 nan 8.230 nan 0.000 0.410 1374 D N 2.956 123.333 120.400 -0.038 0.000 2.575 1374 D HA 0.219 4.860 4.640 0.001 0.000 0.236 1374 D C 0.075 176.361 176.300 -0.024 0.000 1.075 1374 D CA -0.504 53.486 54.000 -0.016 0.000 0.860 1374 D CB 1.564 42.361 40.800 -0.005 0.000 1.475 1374 D HN 0.467 nan 8.370 nan 0.000 0.474 1375 Q N 1.512 121.314 119.800 0.002 0.000 2.129 1375 Q HA -0.291 4.049 4.340 0.001 0.000 0.218 1375 Q C 1.621 177.625 176.000 0.008 0.000 1.040 1375 Q CA 2.185 57.998 55.803 0.016 0.000 0.913 1375 Q CB -0.433 28.320 28.738 0.026 0.000 1.030 1375 Q HN 0.633 nan 8.270 nan 0.000 0.419 1376 K N -0.453 119.949 120.400 0.004 0.000 1.991 1376 K HA -0.105 4.215 4.320 0.001 0.000 0.212 1376 K C 2.263 178.863 176.600 -0.000 0.000 1.049 1376 K CA 1.771 58.062 56.287 0.007 0.000 0.932 1376 K CB -0.352 32.152 32.500 0.007 0.000 0.717 1376 K HN 0.212 nan 8.250 nan 0.000 0.441 1377 T N 1.096 115.636 114.554 -0.023 0.000 2.881 1377 T HA -0.121 4.229 4.350 0.001 0.000 0.270 1377 T C 1.914 176.556 174.700 -0.098 0.000 1.068 1377 T CA 1.230 63.304 62.100 -0.043 0.000 1.131 1377 T CB -0.199 68.636 68.868 -0.054 0.000 0.871 1377 T HN 0.348 nan 8.240 nan 0.000 0.479 1378 A N 1.378 124.106 122.820 -0.153 0.000 1.930 1378 A HA 0.049 4.369 4.320 0.001 0.000 0.217 1378 A C 2.272 179.856 177.584 -0.001 0.000 1.175 1378 A CA 1.129 52.984 52.037 -0.304 0.000 0.627 1378 A CB -0.564 18.276 19.000 -0.268 0.000 0.815 1378 A HN 0.451 nan 8.150 nan 0.000 0.443 1379 M N -0.175 119.468 119.600 0.071 0.000 2.374 1379 M HA -0.094 4.386 4.480 0.001 0.000 0.264 1379 M C 2.196 178.612 176.300 0.194 0.000 1.067 1379 M CA 1.287 56.675 55.300 0.146 0.000 1.103 1379 M CB -0.260 32.393 32.600 0.089 0.000 1.402 1379 M HN 0.422 nan 8.290 nan 0.000 0.444 1380 S N 0.898 116.685 115.700 0.146 0.000 2.345 1380 S HA -0.004 4.466 4.470 0.001 0.000 0.219 1380 S C 1.854 176.588 174.600 0.223 0.000 1.031 1380 S CA 0.924 59.238 58.200 0.189 0.000 0.984 1380 S CB -0.316 62.946 63.200 0.104 0.000 0.874 1380 S HN 0.386 nan 8.310 nan 0.000 0.451 1381 L N 0.940 122.257 121.223 0.156 0.000 2.012 1381 L HA -0.119 4.221 4.340 0.001 0.000 0.210 1381 L C 2.397 179.489 176.870 0.371 0.000 1.073 1381 L CA 0.910 55.876 54.840 0.210 0.000 0.748 1381 L CB -0.493 41.690 42.059 0.207 0.000 0.891 1381 L HN 0.268 nan 8.230 nan 0.000 0.431 1382 L N -0.868 120.642 121.223 0.479 0.000 2.187 1382 L HA -0.270 4.071 4.340 0.001 0.000 0.213 1382 L C 2.037 179.177 176.870 0.450 0.000 1.100 1382 L CA 1.748 56.867 54.840 0.464 0.000 0.765 1382 L CB -0.552 41.784 42.059 0.462 0.000 0.904 1382 L HN 0.367 nan 8.230 nan 0.000 0.437 1383 W N -0.018 121.394 121.300 0.186 0.000 2.480 1383 W HA -0.136 4.524 4.660 0.001 0.000 0.299 1383 W C 2.051 178.667 176.519 0.162 0.000 1.187 1383 W CA 0.457 57.903 57.345 0.168 0.000 1.347 1383 W CB 0.172 29.699 29.460 0.111 0.000 1.121 1383 W HN 0.010 nan 8.180 nan 0.000 0.533 1384 K N 0.486 120.917 120.400 0.051 0.000 2.362 1384 K HA -0.110 4.210 4.320 0.001 0.000 0.200 1384 K C 1.575 178.139 176.600 -0.060 0.000 1.046 1384 K CA 1.454 57.660 56.287 -0.135 0.000 0.952 1384 K CB -0.226 32.233 32.500 -0.068 0.000 0.753 1384 K HN 0.008 nan 8.250 nan 0.000 0.466 1385 S N -0.442 115.299 115.700 0.069 0.000 2.618 1385 S HA 0.026 4.496 4.470 0.001 0.000 0.242 1385 S C 1.170 175.805 174.600 0.060 0.000 0.972 1385 S CA -0.633 57.624 58.200 0.095 0.000 1.004 1385 S CB -0.337 62.992 63.200 0.215 0.000 0.778 1385 S HN 0.295 nan 8.310 nan 0.000 0.459 1386 Y N 3.735 123.984 120.300 -0.085 0.000 2.193 1386 Y HA -0.048 4.502 4.550 0.000 0.000 0.285 1386 Y C -0.841 175.019 175.900 -0.066 0.000 1.166 1386 Y CA 1.782 59.838 58.100 -0.073 0.000 1.181 1386 Y CB -0.988 37.318 38.460 -0.257 0.000 0.976 1386 Y HN 0.334 nan 8.280 nan 0.000 0.520 1387 P HA -0.151 nan 4.420 nan 0.000 0.223 1387 P C 1.438 178.646 177.300 -0.155 0.000 1.151 1387 P CA 1.544 64.599 63.100 -0.075 0.000 0.787 1387 P CB -0.034 31.675 31.700 0.013 0.000 0.788 1388 L N -0.419 120.722 121.223 -0.136 0.000 2.102 1388 L HA -0.033 4.307 4.340 0.001 0.000 0.202 1388 L C 2.604 179.305 176.870 -0.280 0.000 1.076 1388 L CA 1.215 55.953 54.840 -0.171 0.000 0.761 1388 L CB -0.625 41.372 42.059 -0.104 0.000 0.921 1388 L HN -0.112 nan 8.230 nan 0.000 0.444 1389 V N -5.788 113.953 119.914 -0.288 0.000 3.431 1389 V HA 0.115 4.235 4.120 0.001 0.000 0.253 1389 V C 1.111 177.001 176.094 -0.340 0.000 1.184 1389 V CA -0.501 61.610 62.300 -0.315 0.000 1.104 1389 V CB -0.118 31.547 31.823 -0.264 0.000 0.799 1389 V HN 0.497 nan 8.190 nan 0.000 0.462 1390 C N 1.551 120.530 119.300 -0.535 0.000 4.067 1390 C HA -0.148 4.312 4.460 0.001 0.000 0.305 1390 C C 0.361 175.170 174.990 -0.303 0.000 1.305 1390 C CA 0.102 58.602 59.018 -0.864 0.000 2.111 1390 C CB -3.026 24.352 27.740 -0.604 0.000 1.339 1390 C HN 0.652 nan 8.230 nan 0.000 0.668 1391 I N 1.030 121.606 120.570 0.011 0.000 2.354 1391 I HA 0.529 4.699 4.170 0.001 0.000 0.292 1391 I C 0.916 177.365 176.117 0.553 0.000 0.989 1391 I CA -0.146 61.384 61.300 0.383 0.000 1.188 1391 I CB 1.325 39.536 38.000 0.351 0.000 1.342 1391 I HN 0.512 nan 8.210 nan 0.000 0.457 1392 A N 5.799 128.896 122.820 0.461 0.000 2.540 1392 A HA 0.005 4.326 4.320 0.001 0.000 0.239 1392 A C 1.426 179.087 177.584 0.128 0.000 1.061 1392 A CA 0.038 52.280 52.037 0.342 0.000 0.758 1392 A CB 0.137 19.261 19.000 0.207 0.000 0.991 1392 A HN 0.938 nan 8.150 nan 0.000 0.502 1393 K N 1.037 121.315 120.400 -0.204 0.000 2.281 1393 K HA -0.186 4.134 4.320 0.001 0.000 0.203 1393 K C 1.438 177.863 176.600 -0.293 0.000 1.046 1393 K CA 1.903 57.822 56.287 -0.613 0.000 0.938 1393 K CB -0.029 31.621 32.500 -1.415 0.000 0.737 1393 K HN 0.914 nan 8.250 nan 0.000 0.458 1394 E N -0.193 119.915 120.200 -0.153 0.000 2.478 1394 E HA -0.081 4.269 4.350 0.001 0.000 0.194 1394 E C 1.472 178.049 176.600 -0.038 0.000 1.045 1394 E CA 0.281 56.628 56.400 -0.089 0.000 0.868 1394 E CB 0.104 29.770 29.700 -0.058 0.000 0.885 1394 E HN 0.316 nan 8.360 nan 0.000 0.505 1395 L N 0.271 121.492 121.223 -0.002 0.000 2.425 1395 L HA 0.071 4.411 4.340 0.001 0.000 0.215 1395 L C 2.140 179.037 176.870 0.045 0.000 1.065 1395 L CA -0.234 54.614 54.840 0.014 0.000 0.842 1395 L CB -0.183 41.900 42.059 0.039 0.000 1.033 1395 L HN 0.061 nan 8.230 nan 0.000 0.474 1396 I N 0.977 121.593 120.570 0.076 0.000 2.141 1396 I HA -0.290 3.880 4.170 0.001 0.000 0.243 1396 I C -0.052 176.127 176.117 0.103 0.000 1.035 1396 I CA 2.415 63.789 61.300 0.122 0.000 1.302 1396 I CB -2.506 35.550 38.000 0.093 0.000 1.006 1396 I HN 0.177 nan 8.210 nan 0.000 0.413 1397 P HA -0.165 nan 4.420 nan 0.000 0.213 1397 P C 1.688 179.026 177.300 0.064 0.000 1.170 1397 P CA 1.607 64.736 63.100 0.048 0.000 0.902 1397 P CB -0.057 31.651 31.700 0.014 0.000 0.789 1398 E N -0.529 119.700 120.200 0.047 0.000 2.049 1398 E HA -0.242 4.108 4.350 0.001 0.000 0.198 1398 E C 2.087 178.775 176.600 0.148 0.000 1.007 1398 E CA 1.530 57.969 56.400 0.065 0.000 0.809 1398 E CB -0.705 28.998 29.700 0.006 0.000 0.749 1398 E HN 0.136 nan 8.360 nan 0.000 0.450 1399 A N 0.777 123.682 122.820 0.142 0.000 1.851 1399 A HA -0.214 4.106 4.320 0.001 0.000 0.216 1399 A C 2.442 180.163 177.584 0.228 0.000 1.195 1399 A CA 2.210 54.365 52.037 0.198 0.000 0.622 1399 A CB -1.126 18.010 19.000 0.227 0.000 0.831 1399 A HN 0.236 nan 8.150 nan 0.000 0.444 1400 T N 0.313 114.993 114.554 0.210 0.000 2.759 1400 T HA -0.159 4.191 4.350 0.001 0.000 0.269 1400 T C 1.664 176.468 174.700 0.173 0.000 1.042 1400 T CA 1.739 63.970 62.100 0.219 0.000 1.140 1400 T CB -0.331 68.650 68.868 0.188 0.000 0.864 1400 T HN 0.676 nan 8.240 nan 0.000 0.455 1401 E N 0.637 120.905 120.200 0.114 0.000 2.107 1401 E HA -0.087 4.263 4.350 0.001 0.000 0.191 1401 E C 2.222 178.830 176.600 0.014 0.000 0.982 1401 E CA 0.757 57.193 56.400 0.061 0.000 0.809 1401 E CB -0.094 29.629 29.700 0.037 0.000 0.756 1401 E HN 0.229 nan 8.360 nan 0.000 0.459 1402 K N 0.277 120.664 120.400 -0.021 0.000 2.147 1402 K HA -0.145 4.175 4.320 0.001 0.000 0.205 1402 K C 1.242 177.702 176.600 -0.233 0.000 1.049 1402 K CA 1.343 57.476 56.287 -0.257 0.000 0.936 1402 K CB -0.050 32.019 32.500 -0.719 0.000 0.722 1402 K HN 0.140 nan 8.250 nan 0.000 0.446 1403 Y N -0.848 119.380 120.300 -0.120 0.000 2.422 1403 Y HA 0.216 4.767 4.550 0.001 0.000 0.291 1403 Y C 1.614 177.533 175.900 0.033 0.000 1.144 1403 Y CA 0.542 58.628 58.100 -0.024 0.000 1.208 1403 Y CB 0.290 38.797 38.460 0.079 0.000 1.195 1403 Y HN -0.134 nan 8.280 nan 0.000 0.535 1404 L N -1.374 119.985 121.223 0.226 0.000 2.416 1404 L HA 0.154 4.495 4.340 0.001 0.000 0.216 1404 L C 2.369 179.289 176.870 0.083 0.000 1.098 1404 L CA 0.777 55.712 54.840 0.158 0.000 0.840 1404 L CB -0.888 41.272 42.059 0.167 0.000 0.981 1404 L HN 0.281 nan 8.230 nan 0.000 0.462 1405 G N 1.012 109.846 108.800 0.055 0.000 2.480 1405 G HA2 -0.247 3.713 3.960 0.001 0.000 0.216 1405 G HA3 -0.247 3.713 3.960 0.001 0.000 0.216 1405 G C 1.617 176.524 174.900 0.011 0.000 1.200 1405 G CA 0.933 46.047 45.100 0.024 0.000 0.782 1405 G HN 0.419 nan 8.290 nan 0.000 0.554 1406 G N 0.202 108.998 108.800 -0.007 0.000 2.805 1406 G HA2 -0.211 3.749 3.960 0.001 0.000 0.227 1406 G HA3 -0.211 3.749 3.960 0.001 0.000 0.227 1406 G C 1.166 176.067 174.900 0.002 0.000 1.143 1406 G CA 2.417 47.509 45.100 -0.014 0.000 0.759 1406 G HN 1.056 nan 8.290 nan 0.000 0.634 1407 T N -4.784 109.781 114.554 0.018 0.000 2.905 1407 T HA 0.626 4.976 4.350 0.001 0.000 0.283 1407 T C 0.156 174.871 174.700 0.025 0.000 1.031 1407 T CA -0.147 61.965 62.100 0.021 0.000 1.002 1407 T CB 2.284 71.169 68.868 0.028 0.000 1.200 1407 T HN -0.042 nan 8.240 nan 0.000 0.560 1408 D N -0.645 119.769 120.400 0.022 0.000 2.479 1408 D HA 0.114 4.755 4.640 0.001 0.000 0.216 1408 D C -0.417 175.898 176.300 0.025 0.000 1.110 1408 D CA 0.021 54.034 54.000 0.022 0.000 0.841 1408 D CB 0.494 41.304 40.800 0.016 0.000 1.040 1408 D HN 0.608 nan 8.370 nan 0.000 0.505 1409 D N 1.387 121.804 120.400 0.028 0.000 2.344 1409 D HA -0.023 4.617 4.640 0.001 0.000 0.253 1409 D C 1.686 178.009 176.300 0.038 0.000 1.255 1409 D CA 0.216 54.234 54.000 0.030 0.000 0.894 1409 D CB 1.090 41.908 40.800 0.031 0.000 1.067 1409 D HN -0.019 nan 8.370 nan 0.000 0.492 1410 T N 0.540 115.114 114.554 0.034 0.000 2.721 1410 T HA -0.228 4.123 4.350 0.001 0.000 0.268 1410 T C 1.952 176.682 174.700 0.050 0.000 1.038 1410 T CA 1.361 63.483 62.100 0.036 0.000 1.145 1410 T CB -0.524 68.360 68.868 0.027 0.000 0.858 1410 T HN 0.240 nan 8.240 nan 0.000 0.459 1411 V N 1.793 121.738 119.914 0.051 0.000 2.407 1411 V HA -0.139 3.981 4.120 0.001 0.000 0.248 1411 V C 2.794 178.936 176.094 0.079 0.000 1.055 1411 V CA 1.790 64.128 62.300 0.063 0.000 1.049 1411 V CB -0.625 31.230 31.823 0.053 0.000 0.662 1411 V HN 0.531 nan 8.190 nan 0.000 0.455 1412 K N -0.021 120.421 120.400 0.071 0.000 2.148 1412 K HA -0.143 4.177 4.320 0.001 0.000 0.204 1412 K C 2.237 178.902 176.600 0.109 0.000 1.050 1412 K CA 1.111 57.447 56.287 0.081 0.000 0.942 1412 K CB -0.149 32.388 32.500 0.062 0.000 0.724 1412 K HN 0.460 nan 8.250 nan 0.000 0.446 1413 K N 1.073 121.535 120.400 0.102 0.000 2.025 1413 K HA -0.130 4.190 4.320 0.001 0.000 0.207 1413 K C 2.115 178.824 176.600 0.180 0.000 1.049 1413 K CA 0.919 57.284 56.287 0.129 0.000 0.933 1413 K CB -0.074 32.477 32.500 0.085 0.000 0.714 1413 K HN -0.033 nan 8.250 nan 0.000 0.438 1414 K N 1.543 122.029 120.400 0.144 0.000 2.218 1414 K HA -0.227 4.093 4.320 0.001 0.000 0.205 1414 K C 0.976 177.736 176.600 0.266 0.000 1.046 1414 K CA 1.808 58.208 56.287 0.187 0.000 0.933 1414 K CB -0.056 32.523 32.500 0.132 0.000 0.728 1414 K HN 0.117 nan 8.250 nan 0.000 0.454 1415 D N 0.609 121.136 120.400 0.211 0.000 2.162 1415 D HA -0.028 4.613 4.640 0.001 0.000 0.205 1415 D C 2.100 178.541 176.300 0.234 0.000 0.964 1415 D CA 0.570 54.693 54.000 0.205 0.000 0.847 1415 D CB -0.085 40.804 40.800 0.149 0.000 0.988 1415 D HN 0.188 nan 8.370 nan 0.000 0.480 1416 L N 0.176 121.544 121.223 0.242 0.000 2.191 1416 L HA -0.136 4.204 4.340 0.001 0.000 0.212 1416 L C 2.251 179.329 176.870 0.347 0.000 1.103 1416 L CA 0.488 55.502 54.840 0.289 0.000 0.769 1416 L CB -0.257 41.960 42.059 0.265 0.000 0.908 1416 L HN -0.029 nan 8.230 nan 0.000 0.438 1417 F N 0.540 120.588 119.950 0.164 0.000 2.163 1417 F HA -0.143 4.385 4.527 0.000 0.000 0.297 1417 F C 2.078 177.930 175.800 0.087 0.000 1.094 1417 F CA 1.323 59.393 58.000 0.116 0.000 1.290 1417 F CB -0.102 38.977 39.000 0.131 0.000 1.017 1417 F HN -0.122 nan 8.300 nan 0.000 0.483 1418 L N -0.211 121.112 121.223 0.166 0.000 2.141 1418 L HA -0.180 4.160 4.340 0.001 0.000 0.209 1418 L C 1.850 178.757 176.870 0.063 0.000 1.094 1418 L CA 1.148 56.068 54.840 0.133 0.000 0.763 1418 L CB -0.764 41.453 42.059 0.264 0.000 0.908 1418 L HN 0.071 nan 8.230 nan 0.000 0.437 1419 D N 0.004 120.471 120.400 0.112 0.000 2.234 1419 D HA -0.108 4.532 4.640 0.001 0.000 0.205 1419 D C 2.217 178.553 176.300 0.060 0.000 0.962 1419 D CA 0.710 54.804 54.000 0.156 0.000 0.855 1419 D CB 0.155 41.117 40.800 0.269 0.000 0.951 1419 D HN 0.282 nan 8.370 nan 0.000 0.500 1420 L N 0.716 121.831 121.223 -0.181 0.000 1.976 1420 L HA -0.170 4.170 4.340 0.001 0.000 0.209 1420 L C 2.170 178.729 176.870 -0.518 0.000 1.071 1420 L CA 0.982 55.433 54.840 -0.649 0.000 0.746 1420 L CB -0.096 41.552 42.059 -0.685 0.000 0.890 1420 L HN -0.099 nan 8.230 nan 0.000 0.432 1421 I N 0.648 120.849 120.570 -0.615 0.000 2.091 1421 I HA -0.330 3.840 4.170 0.001 0.000 0.239 1421 I C 2.942 178.786 176.117 -0.455 0.000 1.061 1421 I CA 1.759 62.627 61.300 -0.718 0.000 1.317 1421 I CB -1.896 35.342 38.000 -1.269 0.000 1.031 1421 I HN 0.366 nan 8.210 nan 0.000 0.401 1422 A N 0.632 123.326 122.820 -0.210 0.000 1.917 1422 A HA -0.265 4.055 4.320 0.001 0.000 0.219 1422 A C 1.992 179.626 177.584 0.084 0.000 1.182 1422 A CA 2.384 54.486 52.037 0.108 0.000 0.633 1422 A CB -0.814 18.285 19.000 0.165 0.000 0.819 1422 A HN 0.413 nan 8.150 nan 0.000 0.448 1423 D N -0.752 119.637 120.400 -0.020 0.000 2.178 1423 D HA -0.059 4.582 4.640 0.001 0.000 0.202 1423 D C 1.973 178.116 176.300 -0.261 0.000 0.974 1423 D CA 1.210 55.200 54.000 -0.016 0.000 0.841 1423 D CB -0.220 40.696 40.800 0.193 0.000 0.953 1423 D HN 0.248 nan 8.370 nan 0.000 0.478 1424 V N 0.314 119.923 119.914 -0.508 0.000 2.407 1424 V HA -0.153 3.967 4.120 0.001 0.000 0.245 1424 V C 2.353 178.179 176.094 -0.447 0.000 1.041 1424 V CA 1.176 63.080 62.300 -0.660 0.000 1.040 1424 V CB -0.275 31.071 31.823 -0.796 0.000 0.671 1424 V HN 0.188 nan 8.190 nan 0.000 0.455 1425 M N -1.311 118.025 119.600 -0.440 0.000 2.123 1425 M HA -0.013 4.467 4.480 0.001 0.000 0.263 1425 M C 1.921 177.781 176.300 -0.734 0.000 1.069 1425 M CA 2.199 57.108 55.300 -0.652 0.000 1.133 1425 M CB -0.182 31.894 32.600 -0.873 0.000 1.356 1425 M HN 0.359 nan 8.290 nan 0.000 0.415 1426 F N -1.688 118.187 119.950 -0.124 0.000 2.522 1426 F HA 0.364 4.891 4.527 0.000 0.000 0.275 1426 F C 2.414 178.165 175.800 -0.081 0.000 0.890 1426 F CA 0.246 58.202 58.000 -0.074 0.000 1.157 1426 F CB -1.587 37.410 39.000 -0.004 0.000 1.117 1426 F HN 0.066 nan 8.300 nan 0.000 0.787 1427 G N 1.426 110.331 108.800 0.175 0.000 2.719 1427 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 1427 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 1427 G C 1.717 176.629 174.900 0.020 0.000 1.234 1427 G CA 2.408 47.551 45.100 0.072 0.000 0.788 1427 G HN 0.205 nan 8.290 nan 0.000 0.619 1428 V N 2.309 122.232 119.914 0.015 0.000 2.261 1428 V HA -0.114 4.006 4.120 0.001 0.000 0.246 1428 V C 0.490 176.578 176.094 -0.009 0.000 1.047 1428 V CA 2.387 64.707 62.300 0.034 0.000 1.015 1428 V CB -1.299 30.565 31.823 0.068 0.000 0.642 1428 V HN 0.307 nan 8.190 nan 0.000 0.446 1429 P HA -0.138 nan 4.420 nan 0.000 0.216 1429 P C 2.014 179.269 177.300 -0.075 0.000 1.153 1429 P CA 1.998 65.049 63.100 -0.082 0.000 0.858 1429 P CB -0.113 31.503 31.700 -0.139 0.000 0.789 1430 S N -0.703 114.951 115.700 -0.077 0.000 2.359 1430 S HA -0.129 4.342 4.470 0.001 0.000 0.224 1430 S C 2.018 176.519 174.600 -0.165 0.000 1.035 1430 S CA 1.487 59.611 58.200 -0.126 0.000 1.018 1430 S CB -1.368 61.755 63.200 -0.129 0.000 0.876 1430 S HN -0.035 nan 8.310 nan 0.000 0.448 1431 V N 2.205 122.042 119.914 -0.128 0.000 2.407 1431 V HA -0.166 3.955 4.120 0.001 0.000 0.248 1431 V C 2.068 178.144 176.094 -0.030 0.000 1.055 1431 V CA 1.465 63.694 62.300 -0.120 0.000 1.049 1431 V CB -0.766 31.037 31.823 -0.034 0.000 0.662 1431 V HN 0.448 nan 8.190 nan 0.000 0.455 1432 I N -0.351 120.218 120.570 -0.002 0.000 2.179 1432 I HA -0.201 3.970 4.170 0.001 0.000 0.242 1432 I C 2.415 178.548 176.117 0.026 0.000 1.088 1432 I CA 1.264 62.584 61.300 0.033 0.000 1.357 1432 I CB -0.488 37.528 38.000 0.026 0.000 1.051 1432 I HN 0.149 nan 8.210 nan 0.000 0.409 1433 V N 1.218 121.119 119.914 -0.021 0.000 2.332 1433 V HA -0.322 3.799 4.120 0.001 0.000 0.248 1433 V C 2.739 178.840 176.094 0.012 0.000 1.055 1433 V CA 2.076 64.369 62.300 -0.012 0.000 1.038 1433 V CB -1.065 30.724 31.823 -0.058 0.000 0.651 1433 V HN 0.503 nan 8.190 nan 0.000 0.450 1434 A N -0.000 122.764 122.820 -0.094 0.000 1.858 1434 A HA -0.236 4.085 4.320 0.001 0.000 0.216 1434 A C 2.366 180.043 177.584 0.156 0.000 1.190 1434 A CA 1.957 53.928 52.037 -0.110 0.000 0.617 1434 A CB -0.548 18.169 19.000 -0.472 0.000 0.827 1434 A HN 0.498 nan 8.150 nan 0.000 0.443 1435 R N -0.378 120.251 120.500 0.216 0.000 2.096 1435 R HA -0.187 4.153 4.340 0.001 0.000 0.240 1435 R C 2.048 178.469 176.300 0.201 0.000 1.139 1435 R CA 1.856 58.123 56.100 0.277 0.000 0.952 1435 R CB -0.521 29.907 30.300 0.214 0.000 0.854 1435 R HN 0.605 nan 8.270 nan 0.000 0.436 1436 N N -0.402 118.404 118.700 0.176 0.000 2.084 1436 N HA -0.184 4.556 4.740 0.001 0.000 0.190 1436 N C 1.667 177.339 175.510 0.270 0.000 1.030 1436 N CA 1.422 54.585 53.050 0.188 0.000 0.849 1436 N CB -0.323 38.262 38.487 0.163 0.000 1.012 1436 N HN 0.301 nan 8.380 nan 0.000 0.423 1437 H N 0.589 119.797 119.070 0.230 0.000 2.387 1437 H HA 0.061 4.617 4.556 0.000 0.000 0.299 1437 H C 2.187 177.650 175.328 0.225 0.000 1.090 1437 H CA 1.492 57.735 56.048 0.324 0.000 1.332 1437 H CB 0.124 30.088 29.762 0.337 0.000 1.386 1437 H HN 0.078 nan 8.280 nan 0.000 0.516 1438 R N 0.308 120.953 120.500 0.241 0.000 2.070 1438 R HA -0.125 4.215 4.340 0.001 0.000 0.233 1438 R C 1.174 177.506 176.300 0.054 0.000 1.137 1438 R CA 1.917 58.103 56.100 0.143 0.000 0.945 1438 R CB -0.154 30.262 30.300 0.192 0.000 0.845 1438 R HN 0.360 nan 8.270 nan 0.000 0.430 1439 D N 0.433 120.878 120.400 0.075 0.000 2.309 1439 D HA -0.105 4.535 4.640 0.001 0.000 0.212 1439 D C 1.084 177.382 176.300 -0.004 0.000 0.968 1439 D CA 1.188 55.210 54.000 0.037 0.000 0.882 1439 D CB 0.006 40.841 40.800 0.058 0.000 0.918 1439 D HN 0.402 nan 8.370 nan 0.000 0.503 1440 A N -0.135 122.669 122.820 -0.026 0.000 2.302 1440 A HA 0.441 4.761 4.320 0.001 0.000 0.219 1440 A C 1.561 179.032 177.584 -0.188 0.000 1.243 1440 A CA 0.589 52.546 52.037 -0.133 0.000 0.856 1440 A CB -0.414 18.460 19.000 -0.210 0.000 0.893 1440 A HN 0.174 nan 8.150 nan 0.000 0.491 1441 G N -1.575 107.153 108.800 -0.119 0.000 2.246 1441 G HA2 0.139 4.100 3.960 0.001 0.000 0.273 1441 G HA3 0.139 4.100 3.960 0.001 0.000 0.273 1441 G C 0.197 175.024 174.900 -0.121 0.000 1.055 1441 G CA 0.470 45.507 45.100 -0.104 0.000 0.851 1441 G HN 1.682 nan 8.290 nan 0.000 0.500 1442 A N -0.517 122.213 122.820 -0.150 0.000 2.380 1442 A HA 0.944 5.264 4.320 0.001 0.000 0.315 1442 A C -2.598 175.016 177.584 0.051 0.000 1.101 1442 A CA -1.779 50.193 52.037 -0.108 0.000 0.771 1442 A CB 1.652 20.449 19.000 -0.339 0.000 1.287 1442 A HN 0.089 nan 8.150 nan 0.000 0.436 1443 P HA 0.302 nan 4.420 nan 0.000 0.267 1443 P C -0.552 176.912 177.300 0.273 0.000 1.209 1443 P CA 0.669 63.863 63.100 0.158 0.000 0.763 1443 P CB 0.796 32.635 31.700 0.231 0.000 0.816 1444 T N 3.144 117.739 114.554 0.068 0.000 2.900 1444 T HA 0.585 4.935 4.350 0.001 0.000 0.295 1444 T C -1.149 173.442 174.700 -0.182 0.000 1.044 1444 T CA -0.288 61.884 62.100 0.120 0.000 0.995 1444 T CB 0.853 69.856 68.868 0.224 0.000 1.072 1444 T HN 0.127 nan 8.240 nan 0.000 0.473 1445 Y N 0.952 121.226 120.300 -0.044 0.000 2.470 1445 Y HA 0.647 5.198 4.550 0.000 0.000 0.341 1445 Y C -0.150 175.744 175.900 -0.010 0.000 1.021 1445 Y CA -1.077 56.986 58.100 -0.062 0.000 1.025 1445 Y CB 1.999 40.135 38.460 -0.540 0.000 1.266 1445 Y HN 0.364 nan 8.280 nan 0.000 0.448 1446 M N 3.122 122.963 119.600 0.403 0.000 2.690 1446 M HA 0.588 5.069 4.480 0.001 0.000 0.302 1446 M C -1.534 175.064 176.300 0.497 0.000 1.234 1446 M CA -1.044 54.375 55.300 0.197 0.000 0.853 1446 M CB 3.141 35.628 32.600 -0.187 0.000 1.748 1446 M HN 0.762 nan 8.290 nan 0.000 0.469 1447 Y N -1.622 118.810 120.300 0.220 0.000 2.638 1447 Y HA 0.689 5.239 4.550 0.000 0.000 0.335 1447 Y C -1.612 174.398 175.900 0.185 0.000 1.155 1447 Y CA -1.025 57.166 58.100 0.151 0.000 1.046 1447 Y CB 1.525 40.006 38.460 0.035 0.000 1.303 1447 Y HN 0.696 nan 8.280 nan 0.000 0.460 1448 E N 2.549 123.008 120.200 0.432 0.000 2.373 1448 E HA 0.287 4.637 4.350 0.001 0.000 0.251 1448 E C -2.128 174.726 176.600 0.424 0.000 0.923 1448 E CA -0.751 55.838 56.400 0.315 0.000 0.798 1448 E CB 1.004 30.863 29.700 0.264 0.000 1.303 1448 E HN 0.616 nan 8.360 nan 0.000 0.412 1449 F N 4.752 124.940 119.950 0.396 0.000 2.467 1449 F HA 0.158 4.686 4.527 0.001 0.000 0.362 1449 F C -0.176 175.747 175.800 0.206 0.000 1.090 1449 F CA 0.139 58.313 58.000 0.289 0.000 1.202 1449 F CB 0.643 39.832 39.000 0.315 0.000 1.113 1449 F HN 0.378 nan 8.300 nan 0.000 0.541 1450 Q N 7.393 126.937 119.800 -0.426 0.000 2.786 1450 Q HA 0.290 4.630 4.340 0.001 0.000 0.240 1450 Q C -2.187 173.628 176.000 -0.309 0.000 0.928 1450 Q CA -0.787 54.876 55.803 -0.232 0.000 0.721 1450 Q CB 1.470 30.177 28.738 -0.053 0.000 1.318 1450 Q HN 0.789 nan 8.270 nan 0.000 0.474 1451 Y N 0.764 120.767 120.300 -0.495 0.000 2.592 1451 Y HA 0.452 5.002 4.550 0.000 0.000 0.334 1451 Y C -1.788 174.086 175.900 -0.044 0.000 1.136 1451 Y CA -0.863 57.055 58.100 -0.303 0.000 1.042 1451 Y CB 2.107 40.308 38.460 -0.433 0.000 1.325 1451 Y HN 0.636 nan 8.280 nan 0.000 0.457 1452 R N 6.321 126.505 120.500 -0.528 0.000 2.287 1452 R HA 0.445 4.785 4.340 0.001 0.000 0.316 1452 R C -2.746 173.377 176.300 -0.295 0.000 1.050 1452 R CA -2.054 53.874 56.100 -0.286 0.000 0.983 1452 R CB 0.724 30.840 30.300 -0.306 0.000 1.140 1452 R HN 0.407 nan 8.270 nan 0.000 0.528 1453 P HA -0.052 nan 4.420 nan 0.000 0.268 1453 P C 0.122 177.285 177.300 -0.230 0.000 1.208 1453 P CA 0.177 63.326 63.100 0.081 0.000 0.777 1453 P CB 1.130 32.944 31.700 0.190 0.000 0.875 1454 S N 0.262 115.681 115.700 -0.468 0.000 2.527 1454 S HA -0.019 4.451 4.470 0.001 0.000 0.222 1454 S C 1.270 175.501 174.600 -0.614 0.000 0.985 1454 S CA 0.231 58.091 58.200 -0.566 0.000 0.921 1454 S CB -0.980 61.840 63.200 -0.634 0.000 0.772 1454 S HN 0.363 nan 8.310 nan 0.000 0.529 1455 F N 2.494 122.247 119.950 -0.328 0.000 2.811 1455 F HA 0.330 4.857 4.527 0.001 0.000 0.301 1455 F C 1.186 176.759 175.800 -0.379 0.000 1.151 1455 F CA -0.469 57.299 58.000 -0.388 0.000 1.412 1455 F CB -0.679 37.963 39.000 -0.598 0.000 1.113 1455 F HN -0.012 nan 8.300 nan 0.000 0.579 1456 S N 0.461 116.029 115.700 -0.220 0.000 2.558 1456 S HA -0.028 4.442 4.470 0.001 0.000 0.291 1456 S C 0.641 175.158 174.600 -0.139 0.000 1.306 1456 S CA -0.412 57.697 58.200 -0.152 0.000 1.056 1456 S CB 0.628 63.723 63.200 -0.175 0.000 0.836 1456 S HN 0.276 nan 8.310 nan 0.000 0.504 1457 S N 1.216 116.853 115.700 -0.106 0.000 2.563 1457 S HA -0.024 4.447 4.470 0.001 0.000 0.284 1457 S C 1.312 175.780 174.600 -0.221 0.000 1.331 1457 S CA -0.523 57.617 58.200 -0.099 0.000 1.047 1457 S CB 0.182 63.393 63.200 0.018 0.000 0.859 1457 S HN 0.761 nan 8.310 nan 0.000 0.514 1458 D N 3.725 124.041 120.400 -0.140 0.000 2.312 1458 D HA -0.137 4.503 4.640 0.001 0.000 0.211 1458 D C 1.270 177.463 176.300 -0.178 0.000 0.964 1458 D CA 0.865 54.774 54.000 -0.151 0.000 0.877 1458 D CB -0.129 40.619 40.800 -0.088 0.000 0.924 1458 D HN 0.600 nan 8.370 nan 0.000 0.515 1459 M N 0.161 119.657 119.600 -0.174 0.000 2.618 1459 M HA 0.030 4.510 4.480 0.001 0.000 0.240 1459 M C 0.869 176.935 176.300 -0.390 0.000 1.123 1459 M CA 0.194 55.422 55.300 -0.120 0.000 1.060 1459 M CB 0.090 32.760 32.600 0.115 0.000 1.535 1459 M HN -0.178 nan 8.290 nan 0.000 0.507 1460 K N 3.268 123.204 120.400 -0.774 0.000 2.248 1460 K HA 0.251 4.571 4.320 0.001 0.000 0.281 1460 K C -2.258 174.012 176.600 -0.550 0.000 1.054 1460 K CA -1.792 53.779 56.287 -1.194 0.000 0.903 1460 K CB 0.879 32.587 32.500 -1.320 0.000 1.077 1460 K HN -0.090 nan 8.250 nan 0.000 0.474 1461 P HA -0.050 nan 4.420 nan 0.000 0.260 1461 P C -0.440 176.764 177.300 -0.159 0.000 1.185 1461 P CA 0.237 63.235 63.100 -0.171 0.000 0.763 1461 P CB 0.709 32.373 31.700 -0.060 0.000 0.776 1462 K N 1.497 121.816 120.400 -0.134 0.000 2.286 1462 K HA -0.132 4.188 4.320 0.001 0.000 0.203 1462 K C 1.739 178.282 176.600 -0.094 0.000 1.045 1462 K CA 2.028 58.240 56.287 -0.124 0.000 0.935 1462 K CB -0.571 31.865 32.500 -0.107 0.000 0.737 1462 K HN 0.621 nan 8.250 nan 0.000 0.460 1463 T N -1.841 112.677 114.554 -0.061 0.000 3.160 1463 T HA 0.038 4.388 4.350 0.001 0.000 0.257 1463 T C 0.657 175.346 174.700 -0.017 0.000 1.147 1463 T CA -0.079 62.001 62.100 -0.033 0.000 1.064 1463 T CB -0.043 68.821 68.868 -0.006 0.000 0.949 1463 T HN -0.192 nan 8.240 nan 0.000 0.526 1464 V N 2.695 122.593 119.914 -0.027 0.000 2.368 1464 V HA 0.492 4.612 4.120 0.001 0.000 0.266 1464 V C -0.031 176.060 176.094 -0.005 0.000 1.045 1464 V CA -0.937 61.370 62.300 0.012 0.000 0.899 1464 V CB 0.835 32.683 31.823 0.042 0.000 1.006 1464 V HN 0.548 nan 8.190 nan 0.000 0.470 1465 I N 4.300 124.878 120.570 0.013 0.000 2.466 1465 I HA 0.704 4.874 4.170 0.001 0.000 0.289 1465 I C 0.676 176.830 176.117 0.062 0.000 1.026 1465 I CA 0.043 61.340 61.300 -0.005 0.000 1.078 1465 I CB 1.550 39.512 38.000 -0.062 0.000 1.249 1465 I HN 0.800 nan 8.210 nan 0.000 0.429 1466 G N 4.774 113.649 108.800 0.126 0.000 2.203 1466 G HA2 -0.232 3.728 3.960 0.001 0.000 0.231 1466 G HA3 -0.232 3.728 3.960 0.001 0.000 0.231 1466 G C -0.234 174.806 174.900 0.233 0.000 1.058 1466 G CA 0.226 45.456 45.100 0.217 0.000 0.781 1466 G HN 0.821 nan 8.290 nan 0.000 0.496 1467 D N -0.680 119.864 120.400 0.240 0.000 2.384 1467 D HA 0.364 5.004 4.640 0.001 0.000 0.244 1467 D C 0.932 177.389 176.300 0.262 0.000 1.251 1467 D CA -0.299 53.852 54.000 0.252 0.000 0.961 1467 D CB 0.336 41.318 40.800 0.304 0.000 1.116 1467 D HN 0.376 nan 8.370 nan 0.000 0.484 1468 H N -0.694 118.457 119.070 0.133 0.000 2.964 1468 H HA 0.326 4.882 4.556 0.000 0.000 0.328 1468 H C 1.343 176.787 175.328 0.192 0.000 1.030 1468 H CA 1.660 57.755 56.048 0.078 0.000 1.445 1468 H CB 0.313 30.093 29.762 0.031 0.000 1.449 1468 H HN 0.570 nan 8.280 nan 0.000 0.581 1469 G N 4.275 112.857 108.800 -0.363 0.000 2.205 1469 G HA2 -0.352 3.608 3.960 0.001 0.000 0.261 1469 G HA3 -0.352 3.608 3.960 0.001 0.000 0.261 1469 G C 1.202 176.025 174.900 -0.130 0.000 0.980 1469 G CA 0.558 45.419 45.100 -0.399 0.000 0.632 1469 G HN 0.672 nan 8.290 nan 0.000 0.533 1470 D N 0.905 121.390 120.400 0.141 0.000 2.218 1470 D HA -0.056 4.584 4.640 0.001 0.000 0.204 1470 D C 2.420 178.798 176.300 0.130 0.000 0.976 1470 D CA 1.372 55.592 54.000 0.367 0.000 0.853 1470 D CB -0.069 41.040 40.800 0.515 0.000 0.939 1470 D HN 0.740 nan 8.370 nan 0.000 0.481 1471 E N 1.235 121.194 120.200 -0.401 0.000 2.274 1471 E HA -0.125 4.226 4.350 0.001 0.000 0.194 1471 E C 2.217 178.473 176.600 -0.574 0.000 0.996 1471 E CA 0.186 55.933 56.400 -1.087 0.000 0.840 1471 E CB -0.658 28.343 29.700 -1.165 0.000 0.772 1471 E HN 0.318 nan 8.360 nan 0.000 0.491 1472 L N -0.129 120.836 121.223 -0.430 0.000 2.043 1472 L HA -0.168 4.173 4.340 0.001 0.000 0.212 1472 L C 2.534 179.161 176.870 -0.405 0.000 1.075 1472 L CA 1.654 56.236 54.840 -0.430 0.000 0.752 1472 L CB -0.666 41.005 42.059 -0.647 0.000 0.891 1472 L HN 0.036 nan 8.230 nan 0.000 0.432 1473 F N -0.743 119.133 119.950 -0.122 0.000 2.365 1473 F HA -0.162 4.366 4.527 0.001 0.000 0.300 1473 F C 2.551 178.296 175.800 -0.092 0.000 1.090 1473 F CA 0.980 58.921 58.000 -0.099 0.000 1.408 1473 F CB -0.391 38.622 39.000 0.022 0.000 1.060 1473 F HN -0.003 nan 8.300 nan 0.000 0.534 1474 S N -0.379 115.304 115.700 -0.030 0.000 2.387 1474 S HA -0.059 4.411 4.470 0.001 0.000 0.221 1474 S C 2.248 176.675 174.600 -0.289 0.000 1.041 1474 S CA 0.715 58.846 58.200 -0.116 0.000 0.959 1474 S CB -0.388 62.713 63.200 -0.165 0.000 0.843 1474 S HN 0.097 nan 8.310 nan 0.000 0.488 1475 V N 0.972 120.587 119.914 -0.499 0.000 2.332 1475 V HA -0.120 4.000 4.120 0.001 0.000 0.248 1475 V C 1.402 177.141 176.094 -0.590 0.000 1.055 1475 V CA 1.654 63.526 62.300 -0.714 0.000 1.038 1475 V CB -0.692 30.621 31.823 -0.850 0.000 0.651 1475 V HN 0.451 nan 8.190 nan 0.000 0.450 1476 F N 0.383 120.127 119.950 -0.344 0.000 2.645 1476 F HA 0.453 4.980 4.527 0.001 0.000 0.300 1476 F C 1.693 177.385 175.800 -0.181 0.000 1.115 1476 F CA 0.488 58.320 58.000 -0.281 0.000 1.355 1476 F CB -0.219 38.573 39.000 -0.347 0.000 1.026 1476 F HN 0.250 nan 8.300 nan 0.000 0.536 1477 G N 0.868 109.664 108.800 -0.007 0.000 2.305 1477 G HA2 -0.333 3.627 3.960 0.001 0.000 0.287 1477 G HA3 -0.333 3.627 3.960 0.001 0.000 0.287 1477 G C 1.334 176.346 174.900 0.186 0.000 1.036 1477 G CA 0.337 45.525 45.100 0.146 0.000 0.887 1477 G HN 0.579 nan 8.290 nan 0.000 0.505 1478 A N 0.240 123.068 122.820 0.014 0.000 1.958 1478 A HA 0.011 4.331 4.320 0.001 0.000 0.221 1478 A C 0.653 178.105 177.584 -0.221 0.000 1.178 1478 A CA 2.251 54.167 52.037 -0.201 0.000 0.642 1478 A CB -0.909 17.840 19.000 -0.419 0.000 0.816 1478 A HN 0.487 nan 8.150 nan 0.000 0.453 1479 P HA -0.121 nan 4.420 nan 0.000 0.222 1479 P C 0.372 177.439 177.300 -0.389 0.000 1.142 1479 P CA 0.959 63.992 63.100 -0.110 0.000 0.788 1479 P CB -0.149 31.359 31.700 -0.321 0.000 0.767 1480 F N -3.007 116.973 119.950 0.051 0.000 2.653 1480 F HA 0.266 4.793 4.527 0.000 0.000 0.304 1480 F C 1.617 177.458 175.800 0.069 0.000 1.092 1480 F CA 0.178 58.232 58.000 0.090 0.000 1.279 1480 F CB -0.124 38.959 39.000 0.140 0.000 1.044 1480 F HN -0.180 nan 8.300 nan 0.000 0.564 1481 L N -1.529 119.776 121.223 0.137 0.000 2.678 1481 L HA 0.228 4.569 4.340 0.001 0.000 0.211 1481 L C 1.035 177.930 176.870 0.042 0.000 1.043 1481 L CA 0.045 54.933 54.840 0.081 0.000 0.881 1481 L CB 0.034 42.113 42.059 0.033 0.000 1.361 1481 L HN -0.240 nan 8.230 nan 0.000 0.484 1482 K N 0.770 121.168 120.400 -0.004 0.000 2.273 1482 K HA 0.293 4.613 4.320 0.001 0.000 0.240 1482 K C -0.454 176.235 176.600 0.149 0.000 1.056 1482 K CA -0.261 56.060 56.287 0.056 0.000 0.910 1482 K CB 0.558 33.053 32.500 -0.009 0.000 1.196 1482 K HN -0.003 nan 8.250 nan 0.000 0.509 1483 E N -1.407 118.901 120.200 0.179 0.000 2.263 1483 E HA 0.323 4.674 4.350 0.001 0.000 0.264 1483 E C 0.029 176.676 176.600 0.078 0.000 0.923 1483 E CA -0.305 56.163 56.400 0.113 0.000 0.802 1483 E CB 1.758 31.496 29.700 0.063 0.000 1.228 1483 E HN 0.762 nan 8.360 nan 0.000 0.417 1484 G N 0.690 109.498 108.800 0.013 0.000 2.179 1484 G HA2 -0.310 3.651 3.960 0.001 0.000 0.260 1484 G HA3 -0.310 3.651 3.960 0.001 0.000 0.260 1484 G C 0.366 175.201 174.900 -0.109 0.000 0.977 1484 G CA 0.026 45.094 45.100 -0.053 0.000 0.641 1484 G HN 0.740 nan 8.290 nan 0.000 0.533 1485 A N 0.463 123.235 122.820 -0.080 0.000 2.540 1485 A HA 0.594 4.915 4.320 0.001 0.000 0.239 1485 A C 1.124 178.646 177.584 -0.104 0.000 1.061 1485 A CA 1.138 53.100 52.037 -0.125 0.000 0.758 1485 A CB 0.186 19.177 19.000 -0.014 0.000 0.991 1485 A HN 2.033 nan 8.150 nan 0.000 0.502 1486 S N 1.082 116.720 115.700 -0.103 0.000 2.652 1486 S HA 0.295 4.765 4.470 0.001 0.000 0.270 1486 S C 0.839 175.408 174.600 -0.051 0.000 1.243 1486 S CA 0.222 58.383 58.200 -0.064 0.000 0.999 1486 S CB 1.109 64.280 63.200 -0.048 0.000 0.973 1486 S HN 0.752 nan 8.310 nan 0.000 0.544 1487 E N 0.584 120.764 120.200 -0.034 0.000 2.153 1487 E HA -0.187 4.163 4.350 0.001 0.000 0.194 1487 E C 1.816 178.404 176.600 -0.020 0.000 0.988 1487 E CA 1.787 58.173 56.400 -0.024 0.000 0.811 1487 E CB -0.280 29.414 29.700 -0.010 0.000 0.746 1487 E HN 0.848 nan 8.360 nan 0.000 0.466 1488 E N 0.025 120.219 120.200 -0.009 0.000 2.106 1488 E HA -0.218 4.133 4.350 0.001 0.000 0.192 1488 E C 1.920 178.493 176.600 -0.045 0.000 0.984 1488 E CA 1.070 57.468 56.400 -0.004 0.000 0.806 1488 E CB -0.063 29.663 29.700 0.045 0.000 0.750 1488 E HN 0.375 nan 8.360 nan 0.000 0.458 1489 E N 0.221 120.408 120.200 -0.021 0.000 2.072 1489 E HA -0.130 4.221 4.350 0.001 0.000 0.190 1489 E C 2.207 178.760 176.600 -0.079 0.000 0.982 1489 E CA 0.874 57.241 56.400 -0.055 0.000 0.803 1489 E CB 0.004 29.730 29.700 0.043 0.000 0.755 1489 E HN 0.323 nan 8.360 nan 0.000 0.453 1490 I N 0.541 121.052 120.570 -0.099 0.000 2.208 1490 I HA -0.288 3.883 4.170 0.001 0.000 0.245 1490 I C 2.628 178.742 176.117 -0.006 0.000 1.097 1490 I CA 0.980 62.183 61.300 -0.162 0.000 1.363 1490 I CB -0.187 37.700 38.000 -0.189 0.000 1.051 1490 I HN 0.014 nan 8.210 nan 0.000 0.413 1491 R N 0.921 121.414 120.500 -0.012 0.000 2.081 1491 R HA -0.187 4.154 4.340 0.001 0.000 0.235 1491 R C 2.115 178.399 176.300 -0.026 0.000 1.131 1491 R CA 1.474 57.576 56.100 0.002 0.000 0.960 1491 R CB -0.592 29.700 30.300 -0.014 0.000 0.856 1491 R HN 0.259 nan 8.270 nan 0.000 0.436 1492 L N -0.197 120.976 121.223 -0.083 0.000 2.056 1492 L HA -0.052 4.288 4.340 0.001 0.000 0.207 1492 L C 2.206 179.044 176.870 -0.054 0.000 1.078 1492 L CA 2.170 56.941 54.840 -0.115 0.000 0.749 1492 L CB -1.051 40.828 42.059 -0.299 0.000 0.901 1492 L HN 0.251 nan 8.230 nan 0.000 0.433 1493 S N -0.626 115.062 115.700 -0.020 0.000 2.353 1493 S HA -0.265 4.206 4.470 0.001 0.000 0.222 1493 S C 2.111 176.711 174.600 0.001 0.000 1.035 1493 S CA 1.785 59.995 58.200 0.016 0.000 1.025 1493 S CB -0.251 63.039 63.200 0.151 0.000 0.902 1493 S HN 0.514 nan 8.310 nan 0.000 0.440 1494 K N 0.370 120.810 120.400 0.065 0.000 2.059 1494 K HA -0.191 4.129 4.320 0.001 0.000 0.212 1494 K C 2.358 178.930 176.600 -0.046 0.000 1.050 1494 K CA 2.000 58.292 56.287 0.010 0.000 0.927 1494 K CB -0.361 32.188 32.500 0.082 0.000 0.714 1494 K HN 0.496 nan 8.250 nan 0.000 0.447 1495 M N 0.856 120.420 119.600 -0.059 0.000 2.086 1495 M HA -0.175 4.305 4.480 0.001 0.000 0.261 1495 M C 1.957 178.215 176.300 -0.069 0.000 1.067 1495 M CA 1.576 56.792 55.300 -0.140 0.000 1.116 1495 M CB 0.030 32.562 32.600 -0.114 0.000 1.348 1495 M HN -0.038 nan 8.290 nan 0.000 0.407 1496 V N 0.890 120.805 119.914 0.002 0.000 2.407 1496 V HA -0.306 3.815 4.120 0.001 0.000 0.248 1496 V C 2.396 178.479 176.094 -0.018 0.000 1.055 1496 V CA 1.910 64.209 62.300 -0.001 0.000 1.049 1496 V CB -0.659 30.981 31.823 -0.305 0.000 0.662 1496 V HN 0.569 nan 8.190 nan 0.000 0.455 1497 M N -1.110 118.436 119.600 -0.090 0.000 2.200 1497 M HA -0.118 4.363 4.480 0.001 0.000 0.265 1497 M C 2.344 178.693 176.300 0.082 0.000 1.066 1497 M CA 1.554 56.817 55.300 -0.061 0.000 1.127 1497 M CB -0.430 32.086 32.600 -0.139 0.000 1.379 1497 M HN 0.195 nan 8.290 nan 0.000 0.420 1498 K N 0.286 120.713 120.400 0.045 0.000 2.002 1498 K HA -0.110 4.210 4.320 0.001 0.000 0.209 1498 K C 1.875 178.584 176.600 0.181 0.000 1.048 1498 K CA 1.630 57.945 56.287 0.047 0.000 0.930 1498 K CB -0.430 32.026 32.500 -0.073 0.000 0.714 1498 K HN 0.289 nan 8.250 nan 0.000 0.438 1499 F N -0.048 120.037 119.950 0.226 0.000 2.091 1499 F HA -0.299 4.229 4.527 0.000 0.000 0.299 1499 F C 2.530 178.476 175.800 0.243 0.000 1.103 1499 F CA 0.847 59.021 58.000 0.289 0.000 1.228 1499 F CB -0.207 39.118 39.000 0.541 0.000 0.984 1499 F HN 0.287 nan 8.300 nan 0.000 0.477 1500 W N 0.020 121.417 121.300 0.160 0.000 2.354 1500 W HA -0.233 4.428 4.660 0.000 0.000 0.315 1500 W C 2.632 179.151 176.519 -0.000 0.000 1.206 1500 W CA 1.131 58.481 57.345 0.007 0.000 1.290 1500 W CB -0.662 28.738 29.460 -0.100 0.000 1.152 1500 W HN -0.002 nan 8.180 nan 0.000 0.489 1501 A N 0.473 123.418 122.820 0.208 0.000 1.930 1501 A HA -0.219 4.101 4.320 0.001 0.000 0.217 1501 A C 1.699 179.325 177.584 0.070 0.000 1.175 1501 A CA 1.836 53.926 52.037 0.089 0.000 0.627 1501 A CB -0.993 18.048 19.000 0.068 0.000 0.815 1501 A HN 0.244 nan 8.150 nan 0.000 0.443 1502 N N -0.863 117.902 118.700 0.108 0.000 2.104 1502 N HA -0.147 4.593 4.740 0.001 0.000 0.190 1502 N C 1.368 176.895 175.510 0.028 0.000 1.024 1502 N CA 1.496 54.591 53.050 0.075 0.000 0.853 1502 N CB -0.602 37.961 38.487 0.127 0.000 1.008 1502 N HN 0.515 nan 8.380 nan 0.000 0.424 1503 F N 1.511 121.368 119.950 -0.154 0.000 2.134 1503 F HA -0.067 4.460 4.527 0.000 0.000 0.299 1503 F C 2.153 177.848 175.800 -0.174 0.000 1.097 1503 F CA 1.277 59.117 58.000 -0.267 0.000 1.264 1503 F CB -0.535 38.194 39.000 -0.452 0.000 1.001 1503 F HN 0.042 nan 8.300 nan 0.000 0.479 1504 A N 1.242 124.010 122.820 -0.087 0.000 1.940 1504 A HA -0.227 4.093 4.320 0.001 0.000 0.219 1504 A C 2.254 179.750 177.584 -0.147 0.000 1.176 1504 A CA 2.010 53.966 52.037 -0.134 0.000 0.631 1504 A CB -0.764 18.197 19.000 -0.064 0.000 0.814 1504 A HN 0.607 nan 8.150 nan 0.000 0.446 1505 R N -2.053 118.383 120.500 -0.106 0.000 2.254 1505 R HA 0.189 4.529 4.340 0.001 0.000 0.195 1505 R C 0.542 176.775 176.300 -0.112 0.000 0.957 1505 R CA 0.987 57.034 56.100 -0.087 0.000 1.024 1505 R CB -0.064 30.213 30.300 -0.039 0.000 0.952 1505 R HN 0.378 nan 8.270 nan 0.000 0.484 1506 N N -0.095 118.512 118.700 -0.154 0.000 2.211 1506 N HA 0.088 4.828 4.740 0.001 0.000 0.216 1506 N C 0.608 175.989 175.510 -0.215 0.000 1.240 1506 N CA 0.877 53.844 53.050 -0.138 0.000 0.895 1506 N CB 1.649 40.093 38.487 -0.071 0.000 1.102 1506 N HN 0.394 nan 8.380 nan 0.000 0.498 1507 G N 1.641 110.171 108.800 -0.450 0.000 2.147 1507 G HA2 -0.241 3.719 3.960 0.001 0.000 0.244 1507 G HA3 -0.241 3.719 3.960 0.001 0.000 0.244 1507 G C -0.228 174.498 174.900 -0.291 0.000 1.005 1507 G CA 0.203 44.914 45.100 -0.649 0.000 0.713 1507 G HN 0.436 nan 8.290 nan 0.000 0.515 1508 N N -0.524 118.054 118.700 -0.203 0.000 2.503 1508 N HA 0.361 5.101 4.740 0.001 0.000 0.287 1508 N C -1.785 173.615 175.510 -0.184 0.000 1.096 1508 N CA -1.117 51.829 53.050 -0.173 0.000 0.936 1508 N CB 2.324 40.803 38.487 -0.013 0.000 1.570 1508 N HN -0.065 nan 8.380 nan 0.000 0.504 1509 P HA -0.050 nan 4.420 nan 0.000 0.222 1509 P C -0.113 177.310 177.300 0.205 0.000 1.153 1509 P CA 0.545 63.515 63.100 -0.216 0.000 0.798 1509 P CB 0.353 31.528 31.700 -0.875 0.000 0.796 1510 N N 0.797 119.575 118.700 0.129 0.000 2.374 1510 N HA 0.253 4.993 4.740 0.001 0.000 0.241 1510 N C 0.946 176.583 175.510 0.212 0.000 1.262 1510 N CA 1.227 54.453 53.050 0.293 0.000 0.880 1510 N CB 0.409 39.045 38.487 0.248 0.000 1.105 1510 N HN 0.172 nan 8.380 nan 0.000 0.438 1511 G N -0.345 108.576 108.800 0.201 0.000 2.451 1511 G HA2 0.205 4.165 3.960 0.001 0.000 0.292 1511 G HA3 0.205 4.165 3.960 0.001 0.000 0.292 1511 G C -1.355 173.601 174.900 0.093 0.000 1.427 1511 G CA -0.773 44.397 45.100 0.117 0.000 0.792 1511 G HN 0.598 nan 8.290 nan 0.000 0.498 1512 E N -0.812 119.425 120.200 0.062 0.000 2.418 1512 E HA 0.408 4.758 4.350 0.001 0.000 0.261 1512 E C 1.068 177.681 176.600 0.021 0.000 1.070 1512 E CA 0.283 56.712 56.400 0.047 0.000 0.931 1512 E CB 0.762 30.483 29.700 0.036 0.000 0.954 1512 E HN 2.174 nan 8.360 nan 0.000 0.439 1513 G N 2.018 110.831 108.800 0.020 0.000 2.160 1513 G HA2 -0.258 3.702 3.960 0.001 0.000 0.251 1513 G HA3 -0.258 3.702 3.960 0.001 0.000 0.251 1513 G C -0.199 174.676 174.900 -0.041 0.000 1.008 1513 G CA 0.489 45.586 45.100 -0.004 0.000 0.724 1513 G HN 0.397 nan 8.290 nan 0.000 0.514 1514 L N 0.422 121.636 121.223 -0.015 0.000 2.422 1514 L HA 0.512 4.852 4.340 0.001 0.000 0.264 1514 L C -1.855 175.104 176.870 0.148 0.000 0.984 1514 L CA -2.318 52.484 54.840 -0.064 0.000 0.819 1514 L CB 2.384 44.266 42.059 -0.294 0.000 1.330 1514 L HN -0.064 nan 8.230 nan 0.000 0.410 1515 P HA -0.009 nan 4.420 nan 0.000 0.269 1515 P C -0.854 176.697 177.300 0.419 0.000 1.215 1515 P CA -0.146 63.120 63.100 0.278 0.000 0.780 1515 P CB 0.452 32.288 31.700 0.227 0.000 0.898 1516 H N 1.856 121.072 119.070 0.244 0.000 2.929 1516 H HA 0.098 4.654 4.556 0.001 0.000 0.317 1516 H C -0.891 174.617 175.328 0.301 0.000 1.031 1516 H CA 0.266 56.474 56.048 0.267 0.000 1.466 1516 H CB 0.112 29.983 29.762 0.183 0.000 1.482 1516 H HN 0.382 nan 8.280 nan 0.000 0.561 1517 W N 9.979 131.026 121.300 -0.421 0.000 2.278 1517 W HA 0.308 4.968 4.660 0.000 0.000 0.317 1517 W C -2.783 173.455 176.519 -0.467 0.000 1.030 1517 W CA -3.204 53.928 57.345 -0.355 0.000 1.334 1517 W CB 0.819 30.038 29.460 -0.402 0.000 1.215 1517 W HN 0.573 nan 8.180 nan 0.000 0.405 1518 P HA 0.047 nan 4.420 nan 0.000 0.274 1518 P C -0.450 177.012 177.300 0.270 0.000 1.231 1518 P CA 0.128 63.319 63.100 0.153 0.000 0.790 1518 P CB 1.469 33.297 31.700 0.214 0.000 0.951 1519 E N 1.208 121.448 120.200 0.067 0.000 2.343 1519 E HA 0.026 4.377 4.350 0.001 0.000 0.269 1519 E C -0.931 175.623 176.600 -0.077 0.000 1.047 1519 E CA -0.629 55.590 56.400 -0.301 0.000 0.874 1519 E CB 0.276 29.765 29.700 -0.351 0.000 1.033 1519 E HN 0.357 nan 8.360 nan 0.000 0.409 1520 Y N 5.946 126.110 120.300 -0.228 0.000 2.568 1520 Y HA 0.066 4.616 4.550 0.001 0.000 0.338 1520 Y C -0.304 175.566 175.900 -0.051 0.000 1.245 1520 Y CA -0.324 57.748 58.100 -0.046 0.000 1.667 1520 Y CB -0.715 37.742 38.460 -0.006 0.000 1.568 1520 Y HN 0.512 nan 8.280 nan 0.000 0.471 1521 N N 0.230 118.805 118.700 -0.208 0.000 2.786 1521 N HA 0.086 4.826 4.740 0.001 0.000 0.315 1521 N C 0.850 176.204 175.510 -0.260 0.000 1.359 1521 N CA -0.237 52.709 53.050 -0.174 0.000 0.846 1521 N CB 0.103 38.535 38.487 -0.091 0.000 1.117 1521 N HN 0.210 nan 8.380 nan 0.000 0.541 1522 Q N 0.003 119.714 119.800 -0.148 0.000 2.124 1522 Q HA -0.039 4.301 4.340 0.001 0.000 0.202 1522 Q C 1.262 177.179 176.000 -0.138 0.000 0.977 1522 Q CA 1.507 57.232 55.803 -0.130 0.000 0.850 1522 Q CB -0.470 28.229 28.738 -0.066 0.000 0.901 1522 Q HN 0.637 nan 8.270 nan 0.000 0.429 1523 K N 0.786 121.120 120.400 -0.111 0.000 2.439 1523 K HA -0.058 4.262 4.320 0.001 0.000 0.197 1523 K C -0.019 176.519 176.600 -0.103 0.000 1.041 1523 K CA 0.113 56.359 56.287 -0.069 0.000 0.970 1523 K CB 0.093 32.581 32.500 -0.021 0.000 0.773 1523 K HN 0.245 nan 8.250 nan 0.000 0.479 1524 E N 0.010 120.039 120.200 -0.285 0.000 2.297 1524 E HA -0.162 4.188 4.350 0.001 0.000 0.228 1524 E C 0.033 176.636 176.600 0.005 0.000 1.213 1524 E CA 0.144 56.229 56.400 -0.526 0.000 0.712 1524 E CB -1.702 27.761 29.700 -0.396 0.000 1.202 1524 E HN 0.520 nan 8.360 nan 0.000 0.376 1525 G N 0.729 109.581 108.800 0.088 0.000 2.432 1525 G HA2 0.395 4.355 3.960 0.001 0.000 0.257 1525 G HA3 0.395 4.355 3.960 0.001 0.000 0.257 1525 G C -0.274 174.897 174.900 0.453 0.000 1.238 1525 G CA -0.050 45.193 45.100 0.239 0.000 0.838 1525 G HN 0.310 nan 8.290 nan 0.000 0.547 1526 Y N 0.119 120.549 120.300 0.217 0.000 2.638 1526 Y HA 0.748 5.299 4.550 0.001 0.000 0.339 1526 Y C -1.224 174.663 175.900 -0.021 0.000 1.084 1526 Y CA -1.879 56.342 58.100 0.200 0.000 1.068 1526 Y CB 1.694 40.259 38.460 0.174 0.000 1.294 1526 Y HN 0.501 nan 8.280 nan 0.000 0.480 1527 L N 2.420 123.483 121.223 -0.266 0.000 2.295 1527 L HA 0.431 4.772 4.340 0.001 0.000 0.285 1527 L C -0.847 175.838 176.870 -0.309 0.000 1.035 1527 L CA -0.433 54.027 54.840 -0.633 0.000 0.806 1527 L CB 1.642 42.761 42.059 -1.568 0.000 1.214 1527 L HN 0.739 nan 8.230 nan 0.000 0.426 1528 Q N 6.140 125.766 119.800 -0.291 0.000 2.331 1528 Q HA 0.467 4.807 4.340 0.001 0.000 0.257 1528 Q C -1.075 174.875 176.000 -0.084 0.000 0.957 1528 Q CA -0.224 55.526 55.803 -0.088 0.000 0.923 1528 Q CB 1.739 30.419 28.738 -0.097 0.000 1.212 1528 Q HN 0.574 nan 8.270 nan 0.000 0.443 1529 I N 1.869 122.430 120.570 -0.015 0.000 2.339 1529 I HA 0.656 4.826 4.170 0.001 0.000 0.290 1529 I C 0.545 176.565 176.117 -0.162 0.000 0.994 1529 I CA -0.364 60.919 61.300 -0.028 0.000 1.191 1529 I CB 1.534 39.601 38.000 0.111 0.000 1.343 1529 I HN 0.750 nan 8.210 nan 0.000 0.458 1530 G N 3.286 112.000 108.800 -0.144 0.000 2.450 1530 G HA2 0.413 4.373 3.960 0.001 0.000 0.273 1530 G HA3 0.413 4.373 3.960 0.001 0.000 0.273 1530 G C 0.277 175.122 174.900 -0.092 0.000 1.221 1530 G CA 0.167 45.164 45.100 -0.170 0.000 0.900 1530 G HN 0.510 nan 8.290 nan 0.000 0.483 1531 A N -0.627 122.220 122.820 0.046 0.000 1.972 1531 A HA 0.156 4.476 4.320 0.001 0.000 0.219 1531 A C 0.971 178.561 177.584 0.010 0.000 1.169 1531 A CA 1.380 53.449 52.037 0.053 0.000 0.635 1531 A CB -0.523 18.565 19.000 0.146 0.000 0.810 1531 A HN 0.515 nan 8.150 nan 0.000 0.446 1532 N N 0.195 118.898 118.700 0.005 0.000 2.696 1532 N HA 0.269 5.010 4.740 0.001 0.000 0.246 1532 N C -1.423 174.080 175.510 -0.011 0.000 1.057 1532 N CA -0.242 52.808 53.050 -0.000 0.000 0.867 1532 N CB 1.276 39.765 38.487 0.003 0.000 1.141 1532 N HN 0.009 nan 8.380 nan 0.000 0.517 1533 T N 2.900 117.451 114.554 -0.005 0.000 2.761 1533 T HA 0.155 4.505 4.350 0.001 0.000 0.296 1533 T C 0.018 174.715 174.700 -0.006 0.000 0.934 1533 T CA -0.208 61.887 62.100 -0.007 0.000 1.091 1533 T CB 0.484 69.377 68.868 0.041 0.000 0.896 1533 T HN 0.434 nan 8.240 nan 0.000 0.515 1534 Q N 1.728 121.496 119.800 -0.052 0.000 2.534 1534 Q HA 0.701 5.041 4.340 0.001 0.000 0.290 1534 Q C -1.411 174.506 176.000 -0.138 0.000 0.991 1534 Q CA -1.214 54.557 55.803 -0.053 0.000 0.783 1534 Q CB 1.603 30.321 28.738 -0.032 0.000 1.470 1534 Q HN 0.543 nan 8.270 nan 0.000 0.406 1535 A N 0.449 123.203 122.820 -0.110 0.000 2.304 1535 A HA 0.861 5.181 4.320 0.001 0.000 0.271 1535 A C -0.363 177.076 177.584 -0.242 0.000 1.091 1535 A CA 0.459 52.386 52.037 -0.184 0.000 0.812 1535 A CB 0.420 19.397 19.000 -0.038 0.000 1.056 1535 A HN 1.152 nan 8.150 nan 0.000 0.489 1536 A N 0.488 123.052 122.820 -0.428 0.000 2.535 1536 A HA 0.786 5.106 4.320 0.001 0.000 0.296 1536 A C -0.861 176.609 177.584 -0.190 0.000 1.248 1536 A CA -0.554 51.258 52.037 -0.375 0.000 0.686 1536 A CB 0.986 19.641 19.000 -0.575 0.000 1.315 1536 A HN 0.830 nan 8.150 nan 0.000 0.460 1537 Q N -0.403 119.474 119.800 0.129 0.000 2.456 1537 Q HA 0.517 4.857 4.340 0.001 0.000 0.284 1537 Q C -1.439 174.795 176.000 0.391 0.000 1.061 1537 Q CA -0.993 54.991 55.803 0.301 0.000 0.799 1537 Q CB 2.117 30.938 28.738 0.139 0.000 1.445 1537 Q HN 0.636 nan 8.270 nan 0.000 0.411 1538 K N 1.070 121.645 120.400 0.292 0.000 3.451 1538 K HA -0.219 4.101 4.320 0.001 0.000 0.273 1538 K C -0.537 176.131 176.600 0.113 0.000 0.944 1538 K CA 0.016 56.411 56.287 0.181 0.000 0.734 1538 K CB -1.281 31.288 32.500 0.116 0.000 1.437 1538 K HN 0.419 nan 8.250 nan 0.000 0.454 1539 L N 1.821 123.008 121.223 -0.061 0.000 2.540 1539 L HA -0.023 4.317 4.340 0.001 0.000 0.276 1539 L C 0.513 177.315 176.870 -0.113 0.000 1.212 1539 L CA 0.698 55.313 54.840 -0.375 0.000 0.893 1539 L CB 0.293 41.787 42.059 -0.941 0.000 1.138 1539 L HN 0.335 nan 8.230 nan 0.000 0.491 1540 K N 3.126 123.495 120.400 -0.052 0.000 2.975 1540 K HA -0.293 4.027 4.320 0.001 0.000 0.257 1540 K C 0.970 177.616 176.600 0.077 0.000 1.005 1540 K CA 1.215 57.523 56.287 0.036 0.000 0.738 1540 K CB -1.589 30.934 32.500 0.039 0.000 1.236 1540 K HN 0.981 nan 8.250 nan 0.000 0.483 1541 D N 1.068 121.510 120.400 0.070 0.000 2.097 1541 D HA -0.148 4.493 4.640 0.001 0.000 0.195 1541 D C 1.376 177.731 176.300 0.092 0.000 0.989 1541 D CA 1.404 55.455 54.000 0.085 0.000 0.827 1541 D CB 0.300 41.145 40.800 0.075 0.000 0.966 1541 D HN 0.496 nan 8.370 nan 0.000 0.456 1542 K N 0.054 120.500 120.400 0.076 0.000 2.031 1542 K HA -0.120 4.200 4.320 0.001 0.000 0.205 1542 K C 2.277 178.951 176.600 0.123 0.000 1.049 1542 K CA 1.010 57.337 56.287 0.067 0.000 0.939 1542 K CB -0.025 32.481 32.500 0.010 0.000 0.717 1542 K HN 0.014 nan 8.250 nan 0.000 0.438 1543 E N 0.782 121.077 120.200 0.159 0.000 2.049 1543 E HA -0.193 4.157 4.350 0.001 0.000 0.198 1543 E C 2.013 178.877 176.600 0.440 0.000 1.007 1543 E CA 1.283 57.882 56.400 0.331 0.000 0.809 1543 E CB -0.484 29.443 29.700 0.379 0.000 0.749 1543 E HN -0.002 nan 8.360 nan 0.000 0.450 1544 V N 0.989 121.086 119.914 0.304 0.000 2.252 1544 V HA -0.351 3.769 4.120 0.001 0.000 0.249 1544 V C 2.246 178.483 176.094 0.239 0.000 1.056 1544 V CA 2.066 64.529 62.300 0.272 0.000 1.022 1544 V CB -1.042 30.886 31.823 0.175 0.000 0.641 1544 V HN 0.414 nan 8.190 nan 0.000 0.445 1545 A N -0.492 122.434 122.820 0.176 0.000 1.892 1545 A HA -0.300 4.021 4.320 0.001 0.000 0.218 1545 A C 2.100 179.753 177.584 0.115 0.000 1.188 1545 A CA 2.444 54.556 52.037 0.126 0.000 0.631 1545 A CB -0.803 18.256 19.000 0.099 0.000 0.822 1545 A HN 0.542 nan 8.150 nan 0.000 0.447 1546 F N -0.787 119.145 119.950 -0.029 0.000 2.010 1546 F HA -0.202 4.325 4.527 0.001 0.000 0.296 1546 F C 2.095 177.781 175.800 -0.190 0.000 1.146 1546 F CA 1.999 59.890 58.000 -0.181 0.000 1.181 1546 F CB -0.978 37.815 39.000 -0.347 0.000 0.965 1546 F HN 0.384 nan 8.300 nan 0.000 0.480 1547 W N 0.502 121.733 121.300 -0.115 0.000 2.350 1547 W HA -0.184 4.477 4.660 0.001 0.000 0.289 1547 W C 2.581 179.010 176.519 -0.150 0.000 1.215 1547 W CA 1.671 58.832 57.345 -0.307 0.000 1.236 1547 W CB -1.250 28.227 29.460 0.029 0.000 1.130 1547 W HN -0.028 nan 8.180 nan 0.000 0.541 1548 T N -0.094 114.585 114.554 0.208 0.000 2.746 1548 T HA -0.255 4.095 4.350 0.001 0.000 0.267 1548 T C 1.462 176.201 174.700 0.065 0.000 1.039 1548 T CA 1.772 63.981 62.100 0.182 0.000 1.142 1548 T CB -0.504 68.447 68.868 0.138 0.000 0.866 1548 T HN 0.139 nan 8.240 nan 0.000 0.444 1549 N N 0.612 119.278 118.700 -0.058 0.000 2.270 1549 N HA -0.007 4.733 4.740 0.001 0.000 0.181 1549 N C 1.644 177.026 175.510 -0.214 0.000 1.016 1549 N CA 0.545 53.525 53.050 -0.117 0.000 0.870 1549 N CB -0.347 38.062 38.487 -0.131 0.000 0.979 1549 N HN 0.209 nan 8.380 nan 0.000 0.431 1550 L N -0.382 120.581 121.223 -0.434 0.000 2.007 1550 L HA 0.130 4.470 4.340 0.001 0.000 0.205 1550 L C 1.728 178.448 176.870 -0.250 0.000 1.073 1550 L CA 1.613 56.144 54.840 -0.516 0.000 0.744 1550 L CB -1.002 40.481 42.059 -0.959 0.000 0.898 1550 L HN 0.158 nan 8.230 nan 0.000 0.435 1551 F N 0.022 119.957 119.950 -0.024 0.000 2.202 1551 F HA -0.212 4.316 4.527 0.001 0.000 0.301 1551 F C 2.375 178.175 175.800 -0.000 0.000 1.082 1551 F CA 0.735 58.748 58.000 0.020 0.000 1.313 1551 F CB -0.635 38.392 39.000 0.045 0.000 1.024 1551 F HN 0.240 nan 8.300 nan 0.000 0.495 1552 A N -0.200 122.710 122.820 0.149 0.000 2.259 1552 A HA -0.027 4.294 4.320 0.001 0.000 0.212 1552 A C 0.928 178.540 177.584 0.046 0.000 1.178 1552 A CA 0.651 52.737 52.037 0.083 0.000 0.734 1552 A CB -0.708 18.320 19.000 0.047 0.000 0.774 1552 A HN 0.323 nan 8.150 nan 0.000 0.481 1553 K N 0.000 120.422 120.400 0.037 0.000 2.780 1553 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1553 K CA 0.000 56.295 56.287 0.014 0.000 0.838 1553 K CB 0.000 32.522 32.500 0.036 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543