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 2hrq_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 0.000 174.684 174.600 0.141 0.000 1.055 1021 S CA 0.000 58.249 58.200 0.082 0.000 1.107 1021 S CB 0.000 63.223 63.200 0.039 0.000 0.593 1022 S N 3.260 119.074 115.700 0.190 0.000 2.456 1022 S HA 0.735 5.201 4.470 -0.006 0.000 0.316 1022 S C -2.872 171.844 174.600 0.192 0.000 1.089 1022 S CA -1.178 57.117 58.200 0.158 0.000 1.101 1022 S CB 0.445 63.716 63.200 0.118 0.000 0.995 1022 S HN 0.172 nan 8.310 nan 0.000 0.468 1023 P HA 0.121 nan 4.420 nan 0.000 0.266 1023 P C -2.568 174.639 177.300 -0.155 0.000 1.180 1023 P CA -0.657 62.371 63.100 -0.121 0.000 0.765 1023 P CB -0.147 31.496 31.700 -0.095 0.000 0.806 1024 P HA 0.107 nan 4.420 nan 0.000 0.286 1024 P C -1.049 176.277 177.300 0.044 0.000 1.269 1024 P CA 0.023 63.016 63.100 -0.177 0.000 0.787 1024 P CB 0.807 32.288 31.700 -0.365 0.000 0.920 1025 V N 4.951 124.917 119.914 0.087 0.000 2.357 1025 V HA 0.225 4.341 4.120 -0.006 0.000 0.284 1025 V C 0.342 176.468 176.094 0.053 0.000 1.018 1025 V CA -0.650 61.717 62.300 0.113 0.000 0.841 1025 V CB 1.924 33.797 31.823 0.084 0.000 0.991 1025 V HN 0.301 nan 8.190 nan 0.000 0.437 1026 V N 3.799 123.716 119.914 0.005 0.000 2.459 1026 V HA 0.408 4.524 4.120 -0.006 0.000 0.295 1026 V C -0.370 175.637 176.094 -0.145 0.000 1.029 1026 V CA -0.597 61.565 62.300 -0.230 0.000 0.874 1026 V CB 2.127 33.489 31.823 -0.769 0.000 0.985 1026 V HN 0.939 nan 8.190 nan 0.000 0.438 1027 D N 3.335 123.644 120.400 -0.151 0.000 2.274 1027 D HA 0.506 5.142 4.640 -0.006 0.000 0.239 1027 D C 0.178 176.402 176.300 -0.125 0.000 1.104 1027 D CA -0.015 53.931 54.000 -0.089 0.000 0.840 1027 D CB 1.469 42.222 40.800 -0.078 0.000 1.100 1027 D HN 0.745 nan 8.370 nan 0.000 0.477 1028 T N -0.264 114.253 114.554 -0.062 0.000 2.938 1028 T HA 0.307 4.653 4.350 -0.006 0.000 0.285 1028 T C 1.400 175.995 174.700 -0.175 0.000 1.028 1028 T CA -0.702 61.352 62.100 -0.076 0.000 1.005 1028 T CB 0.910 69.867 68.868 0.149 0.000 1.157 1028 T HN 0.061 nan 8.240 nan 0.000 0.550 1029 V N 1.109 120.865 119.914 -0.264 0.000 2.324 1029 V HA -0.171 3.946 4.120 -0.006 0.000 0.250 1029 V C 2.424 178.322 176.094 -0.326 0.000 1.060 1029 V CA 1.824 63.927 62.300 -0.328 0.000 1.042 1029 V CB -1.142 30.403 31.823 -0.464 0.000 0.650 1029 V HN 0.862 nan 8.190 nan 0.000 0.450 1030 H N -0.274 118.617 119.070 -0.299 0.000 2.548 1030 H HA 0.456 5.009 4.556 -0.006 0.000 0.265 1030 H C 0.971 175.538 175.328 -1.269 0.000 0.969 1030 H CA 0.800 56.474 56.048 -0.622 0.000 1.155 1030 H CB 0.400 29.844 29.762 -0.530 0.000 1.394 1030 H HN 0.545 nan 8.280 nan 0.000 0.570 1031 G N -0.099 108.217 108.800 -0.807 0.000 2.368 1031 G HA2 0.039 3.995 3.960 -0.006 0.000 0.302 1031 G HA3 0.039 3.995 3.960 -0.006 0.000 0.302 1031 G C -1.311 173.547 174.900 -0.071 0.000 1.329 1031 G CA -1.121 43.496 45.100 -0.806 0.000 0.935 1031 G HN 0.014 nan 8.290 nan 0.000 0.590 1032 K N -0.757 119.754 120.400 0.184 0.000 2.218 1032 K HA 0.594 4.910 4.320 -0.006 0.000 0.276 1032 K C -0.468 176.438 176.600 0.510 0.000 1.022 1032 K CA -0.514 55.946 56.287 0.288 0.000 0.946 1032 K CB 2.094 34.717 32.500 0.205 0.000 1.000 1032 K HN 0.610 nan 8.250 nan 0.000 0.468 1033 V N 4.535 124.664 119.914 0.359 0.000 2.789 1033 V HA 0.420 4.537 4.120 -0.006 0.000 0.311 1033 V C -1.608 174.681 176.094 0.325 0.000 1.073 1033 V CA -0.986 61.535 62.300 0.368 0.000 0.921 1033 V CB 1.876 33.962 31.823 0.439 0.000 1.009 1033 V HN 0.576 nan 8.190 nan 0.000 0.426 1034 L N 6.712 128.105 121.223 0.283 0.000 2.325 1034 L HA 0.869 5.205 4.340 -0.006 0.000 0.281 1034 L C 0.171 177.123 176.870 0.137 0.000 1.004 1034 L CA 0.458 55.418 54.840 0.201 0.000 0.823 1034 L CB 0.896 43.010 42.059 0.091 0.000 1.236 1034 L HN 0.849 nan 8.230 nan 0.000 0.415 1035 G N 5.042 113.805 108.800 -0.062 0.000 2.990 1035 G HA2 0.617 4.574 3.960 -0.006 0.000 0.208 1035 G HA3 0.617 4.574 3.960 -0.006 0.000 0.208 1035 G C -1.124 173.463 174.900 -0.521 0.000 1.334 1035 G CA -0.487 44.273 45.100 -0.567 0.000 1.024 1035 G HN 0.732 nan 8.290 nan 0.000 0.574 1036 K N -1.510 118.519 120.400 -0.617 0.000 2.509 1036 K HA 0.591 4.907 4.320 -0.006 0.000 0.266 1036 K C -1.742 174.606 176.600 -0.421 0.000 0.987 1036 K CA -0.878 55.153 56.287 -0.427 0.000 0.868 1036 K CB 1.788 34.154 32.500 -0.224 0.000 1.421 1036 K HN 0.308 nan 8.250 nan 0.000 0.444 1037 F N 0.790 120.677 119.950 -0.105 0.000 2.399 1037 F HA 0.501 5.025 4.527 -0.006 0.000 0.334 1037 F C -0.350 175.436 175.800 -0.024 0.000 1.097 1037 F CA -0.832 57.133 58.000 -0.057 0.000 1.076 1037 F CB 2.158 41.143 39.000 -0.024 0.000 1.162 1037 F HN 0.076 nan 8.300 nan 0.000 0.495 1038 V N 2.246 122.310 119.914 0.250 0.000 2.655 1038 V HA 0.258 4.374 4.120 -0.006 0.000 0.301 1038 V C -0.665 175.509 176.094 0.133 0.000 1.082 1038 V CA -0.857 61.535 62.300 0.155 0.000 0.899 1038 V CB 1.759 33.662 31.823 0.133 0.000 1.014 1038 V HN 0.763 nan 8.190 nan 0.000 0.429 1039 S N 4.346 120.106 115.700 0.101 0.000 2.646 1039 S HA 0.800 5.267 4.470 -0.006 0.000 0.276 1039 S C -0.629 174.033 174.600 0.104 0.000 1.222 1039 S CA -0.450 57.802 58.200 0.086 0.000 1.014 1039 S CB 1.665 64.903 63.200 0.063 0.000 0.991 1039 S HN 0.553 nan 8.310 nan 0.000 0.533 1040 L N 1.891 123.192 121.223 0.130 0.000 2.386 1040 L HA 0.410 4.746 4.340 -0.006 0.000 0.271 1040 L C -0.711 176.310 176.870 0.251 0.000 0.993 1040 L CA -0.407 54.537 54.840 0.174 0.000 0.819 1040 L CB 1.547 43.676 42.059 0.116 0.000 1.294 1040 L HN 0.666 nan 8.230 nan 0.000 0.414 1041 E N 4.147 124.474 120.200 0.212 0.000 2.614 1041 E HA 0.366 4.712 4.350 -0.006 0.000 0.245 1041 E C 0.768 177.451 176.600 0.139 0.000 1.039 1041 E CA 0.892 57.388 56.400 0.160 0.000 0.948 1041 E CB -0.015 29.775 29.700 0.150 0.000 0.937 1041 E HN 0.919 nan 8.360 nan 0.000 0.498 1042 G N 2.975 111.768 108.800 -0.013 0.000 2.255 1042 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.196 1042 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.196 1042 G C -0.317 174.145 174.900 -0.731 0.000 0.998 1042 G CA -0.747 44.140 45.100 -0.355 0.000 0.656 1042 G HN 0.389 nan 8.290 nan 0.000 0.490 1043 F N 0.142 120.050 119.950 -0.069 0.000 2.529 1043 F HA 0.765 5.288 4.527 -0.006 0.000 0.320 1043 F C 1.100 176.871 175.800 -0.048 0.000 1.118 1043 F CA -0.270 57.686 58.000 -0.073 0.000 0.915 1043 F CB 1.828 40.768 39.000 -0.100 0.000 1.161 1043 F HN 0.086 nan 8.300 nan 0.000 0.445 1044 A N 1.213 124.090 122.820 0.095 0.000 1.898 1044 A HA -0.069 4.247 4.320 -0.006 0.000 0.214 1044 A C 1.095 178.696 177.584 0.029 0.000 1.183 1044 A CA 0.834 52.894 52.037 0.038 0.000 0.622 1044 A CB -0.401 18.604 19.000 0.008 0.000 0.824 1044 A HN 0.663 nan 8.150 nan 0.000 0.444 1045 Q N 1.165 120.998 119.800 0.055 0.000 2.296 1045 Q HA 0.350 4.686 4.340 -0.006 0.000 0.263 1045 Q C -2.662 173.344 176.000 0.010 0.000 1.026 1045 Q CA -2.247 53.564 55.803 0.013 0.000 0.912 1045 Q CB 0.247 29.010 28.738 0.042 0.000 1.198 1045 Q HN 0.220 nan 8.270 nan 0.000 0.407 1046 P HA 0.008 nan 4.420 nan 0.000 0.269 1046 P C -1.096 176.285 177.300 0.135 0.000 1.215 1046 P CA -0.274 62.813 63.100 -0.022 0.000 0.780 1046 P CB 0.677 32.217 31.700 -0.267 0.000 0.898 1047 V N 1.606 121.636 119.914 0.194 0.000 2.509 1047 V HA 0.486 4.603 4.120 -0.006 0.000 0.284 1047 V C 0.453 176.729 176.094 0.304 0.000 1.047 1047 V CA -0.601 61.832 62.300 0.222 0.000 0.952 1047 V CB 0.986 32.906 31.823 0.161 0.000 0.988 1047 V HN 0.639 nan 8.190 nan 0.000 0.469 1048 A N 6.489 129.468 122.820 0.264 0.000 2.276 1048 A HA 0.763 5.079 4.320 -0.006 0.000 0.300 1048 A C -0.477 177.038 177.584 -0.116 0.000 1.235 1048 A CA -0.317 51.712 52.037 -0.013 0.000 0.867 1048 A CB -0.004 19.044 19.000 0.081 0.000 1.137 1048 A HN 0.764 nan 8.150 nan 0.000 0.527 1049 I N 2.448 122.772 120.570 -0.410 0.000 2.406 1049 I HA 0.417 4.583 4.170 -0.006 0.000 0.290 1049 I C -1.318 174.398 176.117 -0.670 0.000 0.999 1049 I CA -0.283 60.779 61.300 -0.396 0.000 1.124 1049 I CB 1.586 39.449 38.000 -0.229 0.000 1.289 1049 I HN 0.539 nan 8.210 nan 0.000 0.441 1050 F N 6.555 126.378 119.950 -0.212 0.000 2.477 1050 F HA 0.557 5.080 4.527 -0.006 0.000 0.335 1050 F C -0.311 175.356 175.800 -0.223 0.000 1.130 1050 F CA -0.590 57.330 58.000 -0.132 0.000 0.948 1050 F CB 1.271 40.294 39.000 0.039 0.000 1.154 1050 F HN 0.106 nan 8.300 nan 0.000 0.439 1051 L N 2.362 123.526 121.223 -0.098 0.000 2.329 1051 L HA 0.714 5.051 4.340 -0.006 0.000 0.279 1051 L C 0.697 177.508 176.870 -0.098 0.000 1.014 1051 L CA -1.053 53.693 54.840 -0.158 0.000 0.814 1051 L CB 1.741 43.580 42.059 -0.367 0.000 1.257 1051 L HN 0.885 nan 8.230 nan 0.000 0.424 1052 G N 3.486 112.251 108.800 -0.058 0.000 2.333 1052 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.296 1052 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.296 1052 G C -0.327 174.641 174.900 0.113 0.000 1.059 1052 G CA -0.317 44.745 45.100 -0.063 0.000 1.050 1052 G HN 0.463 nan 8.290 nan 0.000 0.508 1053 I N 2.164 122.800 120.570 0.111 0.000 2.342 1053 I HA 0.267 4.433 4.170 -0.006 0.000 0.291 1053 I C -1.506 174.611 176.117 0.001 0.000 1.010 1053 I CA -2.359 58.964 61.300 0.038 0.000 1.308 1053 I CB 1.610 39.553 38.000 -0.096 0.000 1.400 1053 I HN 0.043 nan 8.210 nan 0.000 0.488 1054 P HA 0.065 nan 4.420 nan 0.000 0.281 1054 P C -0.278 176.881 177.300 -0.236 0.000 1.252 1054 P CA -0.071 62.804 63.100 -0.375 0.000 0.778 1054 P CB 0.602 32.099 31.700 -0.338 0.000 0.895 1055 F N 1.416 121.145 119.950 -0.368 0.000 2.682 1055 F HA 0.734 5.257 4.527 -0.006 0.000 0.308 1055 F C -0.033 175.758 175.800 -0.014 0.000 1.093 1055 F CA -0.936 56.892 58.000 -0.286 0.000 1.244 1055 F CB 0.138 38.875 39.000 -0.438 0.000 1.052 1055 F HN 0.371 nan 8.300 nan 0.000 0.573 1056 A N 0.549 123.116 122.820 -0.423 0.000 2.602 1056 A HA 0.523 4.839 4.320 -0.006 0.000 0.290 1056 A C -1.305 176.106 177.584 -0.289 0.000 1.114 1056 A CA -1.111 50.765 52.037 -0.269 0.000 0.683 1056 A CB 0.952 19.716 19.000 -0.393 0.000 1.281 1056 A HN 0.179 nan 8.150 nan 0.000 0.416 1057 K N 0.665 120.960 120.400 -0.175 0.000 2.298 1057 K HA 0.427 4.744 4.320 -0.006 0.000 0.280 1057 K C -2.470 174.009 176.600 -0.202 0.000 1.032 1057 K CA -1.642 54.550 56.287 -0.158 0.000 0.958 1057 K CB 0.421 32.865 32.500 -0.093 0.000 0.978 1057 K HN 0.305 nan 8.250 nan 0.000 0.472 1058 P HA -0.032 nan 4.420 nan 0.000 0.258 1058 P C -2.385 174.824 177.300 -0.152 0.000 1.187 1058 P CA -0.760 62.227 63.100 -0.189 0.000 0.767 1058 P CB 0.179 31.800 31.700 -0.133 0.000 0.770 1059 P HA 0.025 nan 4.420 nan 0.000 0.232 1059 P C -0.561 176.652 177.300 -0.146 0.000 1.738 1059 P CA 0.483 63.493 63.100 -0.151 0.000 0.948 1059 P CB -0.019 31.590 31.700 -0.151 0.000 1.943 1060 L N -0.227 120.923 121.223 -0.122 0.000 2.375 1060 L HA 0.538 4.874 4.340 -0.006 0.000 0.268 1060 L C 1.766 178.574 176.870 -0.103 0.000 1.058 1060 L CA -0.261 54.516 54.840 -0.105 0.000 0.803 1060 L CB 0.427 42.437 42.059 -0.082 0.000 1.212 1060 L HN 0.282 nan 8.230 nan 0.000 0.451 1061 G N 1.710 110.454 108.800 -0.094 0.000 2.690 1061 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.334 1061 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.334 1061 G C -1.135 173.705 174.900 -0.099 0.000 1.250 1061 G CA 0.434 45.483 45.100 -0.085 0.000 0.994 1061 G HN 0.633 nan 8.290 nan 0.000 0.549 1062 P HA 0.007 nan 4.420 nan 0.000 0.221 1062 P C 1.965 179.212 177.300 -0.089 0.000 1.145 1062 P CA 1.459 64.527 63.100 -0.053 0.000 0.795 1062 P CB -0.131 31.555 31.700 -0.024 0.000 0.775 1063 L N -1.266 119.885 121.223 -0.119 0.000 2.554 1063 L HA 0.084 4.420 4.340 -0.006 0.000 0.226 1063 L C 1.788 178.504 176.870 -0.257 0.000 1.137 1063 L CA -0.108 54.639 54.840 -0.155 0.000 0.863 1063 L CB -0.466 41.517 42.059 -0.127 0.000 0.985 1063 L HN -0.052 nan 8.230 nan 0.000 0.451 1064 R N 0.629 120.943 120.500 -0.311 0.000 2.537 1064 R HA -0.025 4.311 4.340 -0.006 0.000 0.280 1064 R C -0.186 175.725 176.300 -0.649 0.000 1.058 1064 R CA -0.078 55.678 56.100 -0.573 0.000 1.057 1064 R CB 0.230 30.112 30.300 -0.697 0.000 0.973 1064 R HN 0.058 nan 8.270 nan 0.000 0.438 1065 F N -0.001 119.595 119.950 -0.590 0.000 3.043 1065 F HA -0.264 4.260 4.527 -0.005 0.000 0.290 1065 F C 0.034 174.817 175.800 -1.696 0.000 0.844 1065 F CA 1.343 58.640 58.000 -1.171 0.000 1.184 1065 F CB -2.641 36.117 39.000 -0.403 0.000 1.246 1065 F HN 0.655 nan 8.300 nan 0.000 0.536 1066 T N -3.559 110.266 114.554 -1.215 0.000 2.896 1066 T HA 0.786 5.132 4.350 -0.006 0.000 0.297 1066 T C -2.869 171.645 174.700 -0.311 0.000 1.108 1066 T CA -2.438 59.200 62.100 -0.771 0.000 1.004 1066 T CB 3.335 72.027 68.868 -0.292 0.000 1.159 1066 T HN -0.245 nan 8.240 nan 0.000 0.499 1067 P HA 0.216 nan 4.420 nan 0.000 0.269 1067 P C -2.415 174.957 177.300 0.120 0.000 1.211 1067 P CA -0.839 62.420 63.100 0.264 0.000 0.781 1067 P CB -0.364 31.480 31.700 0.240 0.000 0.877 1068 P HA 0.147 nan 4.420 nan 0.000 0.280 1068 P C -0.742 176.605 177.300 0.078 0.000 1.244 1068 P CA 0.012 63.164 63.100 0.087 0.000 0.784 1068 P CB 0.821 32.608 31.700 0.144 0.000 0.913 1069 Q N 3.415 123.232 119.800 0.029 0.000 2.214 1069 Q HA 0.393 4.729 4.340 -0.006 0.000 0.251 1069 Q C -2.185 173.840 176.000 0.042 0.000 0.936 1069 Q CA -2.005 53.818 55.803 0.034 0.000 0.894 1069 Q CB 0.546 29.286 28.738 0.002 0.000 1.252 1069 Q HN 0.358 nan 8.270 nan 0.000 0.448 1070 P HA -0.030 nan 4.420 nan 0.000 0.268 1070 P C -1.353 175.947 177.300 -0.001 0.000 1.205 1070 P CA 0.162 63.324 63.100 0.103 0.000 0.771 1070 P CB 0.569 32.345 31.700 0.127 0.000 0.858 1071 A N 2.960 125.761 122.820 -0.032 0.000 2.407 1071 A HA 0.154 4.470 4.320 -0.006 0.000 0.248 1071 A C 0.367 177.777 177.584 -0.290 0.000 1.082 1071 A CA -0.328 51.632 52.037 -0.129 0.000 0.785 1071 A CB -0.066 18.925 19.000 -0.015 0.000 1.020 1071 A HN 0.452 nan 8.150 nan 0.000 0.489 1072 E N 2.544 122.670 120.200 -0.122 0.000 2.384 1072 E HA 0.216 4.562 4.350 -0.006 0.000 0.266 1072 E C -2.132 174.432 176.600 -0.059 0.000 1.012 1072 E CA -1.361 54.985 56.400 -0.090 0.000 0.901 1072 E CB 0.160 29.859 29.700 -0.000 0.000 0.967 1072 E HN 0.485 nan 8.360 nan 0.000 0.435 1073 P HA 0.160 nan 4.420 nan 0.000 0.274 1073 P C -0.775 176.528 177.300 0.005 0.000 1.231 1073 P CA -0.319 62.666 63.100 -0.192 0.000 0.790 1073 P CB 0.380 31.984 31.700 -0.161 0.000 0.951 1074 W N 0.258 121.563 121.300 0.008 0.000 2.820 1074 W HA 0.691 5.347 4.660 -0.007 0.000 0.350 1074 W C -0.995 175.482 176.519 -0.070 0.000 1.116 1074 W CA -0.847 56.488 57.345 -0.017 0.000 1.146 1074 W CB 0.184 29.660 29.460 0.026 0.000 1.433 1074 W HN 0.146 nan 8.180 nan 0.000 0.561 1075 S N 1.044 116.785 115.700 0.069 0.000 2.690 1075 S HA 0.715 5.182 4.470 -0.006 0.000 0.291 1075 S C -0.448 174.075 174.600 -0.129 0.000 1.138 1075 S CA -0.432 57.580 58.200 -0.313 0.000 1.013 1075 S CB 0.538 63.266 63.200 -0.786 0.000 1.053 1075 S HN 0.617 nan 8.310 nan 0.000 0.539 1076 F N -1.411 118.635 119.950 0.160 0.000 2.183 1076 F HA -0.257 4.266 4.527 -0.006 0.000 0.318 1076 F C -0.095 175.844 175.800 0.232 0.000 0.129 1076 F CA -0.160 57.934 58.000 0.156 0.000 0.912 1076 F CB -0.946 38.127 39.000 0.122 0.000 4.135 1076 F HN 0.319 nan 8.300 nan 0.000 0.137 1077 V N 1.038 121.203 119.914 0.419 0.000 2.370 1077 V HA 0.294 4.410 4.120 -0.006 0.000 0.279 1077 V C 0.062 176.292 176.094 0.226 0.000 1.029 1077 V CA -0.739 61.746 62.300 0.308 0.000 0.870 1077 V CB 1.368 33.315 31.823 0.205 0.000 0.984 1077 V HN 0.472 nan 8.190 nan 0.000 0.451 1078 K N 3.923 124.437 120.400 0.190 0.000 2.234 1078 K HA 0.266 4.582 4.320 -0.006 0.000 0.282 1078 K C -0.125 176.474 176.600 -0.002 0.000 1.039 1078 K CA -0.473 55.769 56.287 -0.074 0.000 0.928 1078 K CB 0.468 32.647 32.500 -0.534 0.000 1.039 1078 K HN 0.619 nan 8.250 nan 0.000 0.470 1079 N N 2.547 121.225 118.700 -0.038 0.000 2.415 1079 N HA 0.138 4.874 4.740 -0.006 0.000 0.250 1079 N C -0.976 174.505 175.510 -0.048 0.000 1.127 1079 N CA 0.022 53.057 53.050 -0.025 0.000 0.945 1079 N CB 1.216 39.678 38.487 -0.041 0.000 1.196 1079 N HN 0.589 nan 8.380 nan 0.000 0.499 1080 A N 2.276 125.097 122.820 0.003 0.000 3.245 1080 A HA 0.209 4.526 4.320 -0.006 0.000 0.282 1080 A C 0.876 178.409 177.584 -0.085 0.000 1.417 1080 A CA -0.475 51.557 52.037 -0.009 0.000 1.149 1080 A CB -0.618 18.463 19.000 0.136 0.000 1.155 1080 A HN 0.602 nan 8.150 nan 0.000 0.602 1081 T N -2.744 111.727 114.554 -0.137 0.000 3.040 1081 T HA 0.311 4.657 4.350 -0.006 0.000 0.266 1081 T C 0.513 175.060 174.700 -0.254 0.000 1.005 1081 T CA 0.442 62.425 62.100 -0.194 0.000 0.906 1081 T CB -0.320 68.459 68.868 -0.148 0.000 1.082 1081 T HN 0.744 nan 8.240 nan 0.000 0.531 1082 S N 0.398 115.944 115.700 -0.257 0.000 2.542 1082 S HA 0.687 5.153 4.470 -0.006 0.000 0.293 1082 S C -1.000 173.413 174.600 -0.312 0.000 1.089 1082 S CA -0.938 57.097 58.200 -0.274 0.000 0.961 1082 S CB 0.864 63.972 63.200 -0.154 0.000 1.062 1082 S HN 0.177 nan 8.310 nan 0.000 0.483 1083 Y N 2.938 123.180 120.300 -0.097 0.000 2.610 1083 Y HA 0.278 4.824 4.550 -0.006 0.000 0.332 1083 Y C -1.372 174.422 175.900 -0.176 0.000 1.201 1083 Y CA -0.920 57.116 58.100 -0.107 0.000 1.465 1083 Y CB 0.071 38.487 38.460 -0.073 0.000 1.283 1083 Y HN 0.548 nan 8.280 nan 0.000 0.563 1084 P HA 0.235 nan 4.420 nan 0.000 0.276 1084 P C -2.685 174.503 177.300 -0.186 0.000 1.261 1084 P CA -1.655 61.253 63.100 -0.321 0.000 0.800 1084 P CB 0.684 32.075 31.700 -0.514 0.000 1.066 1085 P HA 0.261 nan 4.420 nan 0.000 0.274 1085 P C -0.265 176.973 177.300 -0.104 0.000 1.256 1085 P CA -0.167 62.848 63.100 -0.141 0.000 0.795 1085 P CB 0.229 31.844 31.700 -0.142 0.000 1.038 1086 M N -0.730 118.804 119.600 -0.109 0.000 2.472 1086 M HA 0.502 4.979 4.480 -0.006 0.000 0.331 1086 M C -0.840 175.372 176.300 -0.147 0.000 1.170 1086 M CA -0.726 54.507 55.300 -0.112 0.000 1.009 1086 M CB 0.810 33.331 32.600 -0.131 0.000 1.672 1086 M HN 0.097 nan 8.290 nan 0.000 0.453 1087 c N 2.052 120.560 118.600 -0.154 0.000 2.634 1087 c HA 0.099 4.666 4.570 -0.006 0.000 0.417 1087 c C 0.940 174.834 174.090 -0.326 0.000 1.334 1087 c CA -0.118 56.065 56.329 -0.244 0.000 1.829 1087 c CB -0.626 41.763 42.510 -0.202 0.000 2.665 1087 c HN 0.879 nan 8.230 nan 0.000 0.614 1088 T N 4.746 118.956 114.554 -0.574 0.000 2.819 1088 T HA 0.216 4.562 4.350 -0.006 0.000 0.282 1088 T C 0.048 174.519 174.700 -0.382 0.000 1.013 1088 T CA 0.611 62.319 62.100 -0.654 0.000 1.159 1088 T CB -0.249 67.790 68.868 -1.382 0.000 1.007 1088 T HN 0.900 nan 8.240 nan 0.000 0.514 1089 Q N 1.062 120.783 119.800 -0.131 0.000 2.804 1089 Q HA 0.309 4.646 4.340 -0.006 0.000 0.302 1089 Q C -1.629 174.401 176.000 0.049 0.000 0.885 1089 Q CA -1.164 54.659 55.803 0.033 0.000 0.759 1089 Q CB 0.888 29.627 28.738 0.001 0.000 1.465 1089 Q HN 0.352 nan 8.270 nan 0.000 0.432 1090 D N 2.310 122.761 120.400 0.085 0.000 2.402 1090 D HA 0.028 4.665 4.640 -0.006 0.000 0.268 1090 D C -1.237 175.073 176.300 0.016 0.000 1.294 1090 D CA -1.259 52.780 54.000 0.065 0.000 0.945 1090 D CB 1.067 41.911 40.800 0.074 0.000 1.112 1090 D HN 0.312 nan 8.370 nan 0.000 0.517 1091 P HA -0.168 nan 4.420 nan 0.000 0.216 1091 P C 0.939 178.225 177.300 -0.024 0.000 1.150 1091 P CA 1.182 64.269 63.100 -0.021 0.000 0.837 1091 P CB 0.519 32.207 31.700 -0.020 0.000 0.786 1092 K N 0.275 120.669 120.400 -0.011 0.000 1.991 1092 K HA 0.006 4.323 4.320 -0.006 0.000 0.207 1092 K C 2.502 179.089 176.600 -0.022 0.000 1.045 1092 K CA 1.432 57.711 56.287 -0.014 0.000 0.937 1092 K CB -0.868 31.629 32.500 -0.005 0.000 0.720 1092 K HN -0.023 nan 8.250 nan 0.000 0.438 1093 A N 1.094 123.905 122.820 -0.015 0.000 1.940 1093 A HA -0.104 4.212 4.320 -0.006 0.000 0.219 1093 A C 2.388 179.941 177.584 -0.051 0.000 1.176 1093 A CA 1.980 54.001 52.037 -0.026 0.000 0.631 1093 A CB -1.279 17.720 19.000 -0.003 0.000 0.814 1093 A HN 0.444 nan 8.150 nan 0.000 0.446 1094 G N -1.151 107.621 108.800 -0.047 0.000 2.408 1094 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.217 1094 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.217 1094 G C 1.612 176.456 174.900 -0.093 0.000 1.150 1094 G CA 1.034 46.090 45.100 -0.073 0.000 0.776 1094 G HN 0.619 nan 8.290 nan 0.000 0.542 1095 Q N -0.689 119.066 119.800 -0.075 0.000 2.123 1095 Q HA 0.019 4.355 4.340 -0.006 0.000 0.199 1095 Q C 2.386 178.342 176.000 -0.074 0.000 0.966 1095 Q CA 0.774 56.531 55.803 -0.077 0.000 0.845 1095 Q CB -0.173 28.531 28.738 -0.057 0.000 0.907 1095 Q HN 0.384 nan 8.270 nan 0.000 0.439 1096 L N 0.507 121.691 121.223 -0.065 0.000 1.994 1096 L HA -0.154 4.183 4.340 -0.006 0.000 0.208 1096 L C 2.094 178.906 176.870 -0.097 0.000 1.071 1096 L CA 1.639 56.445 54.840 -0.056 0.000 0.745 1096 L CB -0.838 41.192 42.059 -0.048 0.000 0.892 1096 L HN 0.382 nan 8.230 nan 0.000 0.431 1097 L N -1.058 120.067 121.223 -0.163 0.000 2.131 1097 L HA -0.159 4.178 4.340 -0.006 0.000 0.210 1097 L C 2.649 179.335 176.870 -0.306 0.000 1.092 1097 L CA 1.981 56.629 54.840 -0.321 0.000 0.759 1097 L CB -0.736 41.113 42.059 -0.349 0.000 0.903 1097 L HN 0.471 nan 8.230 nan 0.000 0.435 1098 S N -0.861 114.725 115.700 -0.190 0.000 2.383 1098 S HA -0.173 4.293 4.470 -0.006 0.000 0.227 1098 S C 1.821 176.352 174.600 -0.115 0.000 1.026 1098 S CA 1.399 59.496 58.200 -0.172 0.000 0.981 1098 S CB -0.261 62.836 63.200 -0.171 0.000 0.818 1098 S HN 0.655 nan 8.310 nan 0.000 0.472 1099 E N 0.435 120.596 120.200 -0.066 0.000 2.152 1099 E HA 0.011 4.357 4.350 -0.006 0.000 0.192 1099 E C 1.784 178.439 176.600 0.091 0.000 0.983 1099 E CA 0.841 57.238 56.400 -0.004 0.000 0.818 1099 E CB -0.127 29.575 29.700 0.004 0.000 0.758 1099 E HN 0.504 nan 8.360 nan 0.000 0.467 1100 L N -0.345 120.955 121.223 0.127 0.000 2.492 1100 L HA 0.033 4.370 4.340 -0.006 0.000 0.223 1100 L C 1.401 178.639 176.870 0.614 0.000 1.132 1100 L CA 0.208 55.245 54.840 0.328 0.000 0.850 1100 L CB 0.120 42.357 42.059 0.296 0.000 0.966 1100 L HN 0.085 nan 8.230 nan 0.000 0.454 1101 F N -1.033 118.919 119.950 0.004 0.000 2.680 1101 F HA 0.160 4.683 4.527 -0.006 0.000 0.290 1101 F C 1.643 177.180 175.800 -0.438 0.000 1.114 1101 F CA -0.554 57.337 58.000 -0.182 0.000 1.333 1101 F CB -0.361 38.543 39.000 -0.160 0.000 1.091 1101 F HN -0.234 nan 8.300 nan 0.000 0.606 1102 T N 2.389 116.835 114.554 -0.180 0.000 2.934 1102 T HA -0.057 4.290 4.350 -0.006 0.000 0.306 1102 T C 1.262 175.807 174.700 -0.257 0.000 1.042 1102 T CA 0.208 62.103 62.100 -0.341 0.000 1.145 1102 T CB 0.225 68.953 68.868 -0.234 0.000 0.982 1102 T HN 0.382 nan 8.240 nan 0.000 0.544 1103 N N 4.264 122.756 118.700 -0.347 0.000 2.236 1103 N HA 0.016 4.752 4.740 -0.006 0.000 0.196 1103 N C 0.409 175.818 175.510 -0.168 0.000 1.114 1103 N CA -0.352 52.547 53.050 -0.251 0.000 0.859 1103 N CB 0.107 38.426 38.487 -0.281 0.000 0.982 1103 N HN 0.691 nan 8.380 nan 0.000 0.493 1104 R N 0.332 120.743 120.500 -0.149 0.000 2.553 1104 R HA 0.382 4.718 4.340 -0.006 0.000 0.263 1104 R C 0.721 176.989 176.300 -0.054 0.000 1.066 1104 R CA -0.787 55.261 56.100 -0.087 0.000 1.135 1104 R CB 1.381 31.632 30.300 -0.082 0.000 1.148 1104 R HN -0.258 nan 8.270 nan 0.000 0.558 1105 K N 0.418 120.807 120.400 -0.018 0.000 2.001 1105 K HA -0.168 4.149 4.320 -0.006 0.000 0.214 1105 K C -0.095 176.507 176.600 0.003 0.000 1.050 1105 K CA 1.814 58.105 56.287 0.007 0.000 0.934 1105 K CB -0.007 32.507 32.500 0.024 0.000 0.718 1105 K HN 0.584 nan 8.250 nan 0.000 0.443 1106 E N 0.926 121.119 120.200 -0.011 0.000 2.187 1106 E HA 0.127 4.473 4.350 -0.006 0.000 0.268 1106 E C -0.946 175.623 176.600 -0.052 0.000 0.896 1106 E CA -0.614 55.775 56.400 -0.018 0.000 0.766 1106 E CB 1.472 31.166 29.700 -0.010 0.000 1.142 1106 E HN 0.123 nan 8.360 nan 0.000 0.408 1107 N N 3.348 122.015 118.700 -0.056 0.000 2.492 1107 N HA 0.029 4.765 4.740 -0.006 0.000 0.262 1107 N C -0.675 174.768 175.510 -0.113 0.000 1.202 1107 N CA 0.181 53.173 53.050 -0.097 0.000 0.926 1107 N CB 0.578 39.016 38.487 -0.081 0.000 1.078 1107 N HN 0.484 nan 8.380 nan 0.000 0.454 1108 I N 5.272 125.735 120.570 -0.178 0.000 2.312 1108 I HA 0.203 4.370 4.170 -0.006 0.000 0.291 1108 I C -1.719 174.293 176.117 -0.175 0.000 1.031 1108 I CA -1.817 59.363 61.300 -0.200 0.000 1.293 1108 I CB 1.457 39.227 38.000 -0.384 0.000 1.403 1108 I HN 0.373 nan 8.210 nan 0.000 0.484 1109 P HA 0.255 nan 4.420 nan 0.000 0.271 1109 P C -1.008 176.235 177.300 -0.096 0.000 1.216 1109 P CA -0.031 63.013 63.100 -0.093 0.000 0.771 1109 P CB 1.195 32.858 31.700 -0.061 0.000 0.864 1110 L N 1.775 122.940 121.223 -0.097 0.000 2.323 1110 L HA 0.538 4.875 4.340 -0.006 0.000 0.265 1110 L C 0.556 177.378 176.870 -0.080 0.000 1.012 1110 L CA -1.298 53.487 54.840 -0.091 0.000 0.820 1110 L CB 1.666 43.658 42.059 -0.112 0.000 1.334 1110 L HN 0.198 nan 8.230 nan 0.000 0.427 1111 K N 0.915 121.268 120.400 -0.079 0.000 2.087 1111 K HA 0.639 4.955 4.320 -0.006 0.000 0.255 1111 K C -0.912 175.630 176.600 -0.098 0.000 0.988 1111 K CA -0.270 55.969 56.287 -0.080 0.000 0.915 1111 K CB 1.035 33.489 32.500 -0.077 0.000 1.043 1111 K HN 0.361 nan 8.250 nan 0.000 0.457 1112 L N 0.835 121.997 121.223 -0.101 0.000 2.322 1112 L HA 0.601 4.938 4.340 -0.006 0.000 0.279 1112 L C -0.164 176.618 176.870 -0.147 0.000 1.036 1112 L CA -0.611 54.150 54.840 -0.132 0.000 0.807 1112 L CB 1.804 43.787 42.059 -0.127 0.000 1.226 1112 L HN 0.566 nan 8.230 nan 0.000 0.433 1113 S N 0.315 115.898 115.700 -0.195 0.000 2.586 1113 S HA 0.183 4.649 4.470 -0.006 0.000 0.277 1113 S C 0.050 174.488 174.600 -0.270 0.000 1.131 1113 S CA -0.591 57.493 58.200 -0.195 0.000 0.848 1113 S CB 1.539 64.663 63.200 -0.128 0.000 1.091 1113 S HN 0.759 nan 8.310 nan 0.000 0.453 1114 E N 0.872 120.908 120.200 -0.274 0.000 2.216 1114 E HA -0.050 4.296 4.350 -0.006 0.000 0.192 1114 E C -0.223 176.260 176.600 -0.195 0.000 0.988 1114 E CA 0.440 56.644 56.400 -0.327 0.000 0.834 1114 E CB 0.072 29.623 29.700 -0.248 0.000 0.772 1114 E HN 0.551 nan 8.360 nan 0.000 0.479 1115 D N 0.634 120.964 120.400 -0.116 0.000 2.455 1115 D HA -0.025 4.611 4.640 -0.006 0.000 0.234 1115 D C 0.152 176.506 176.300 0.089 0.000 1.224 1115 D CA -0.182 53.798 54.000 -0.034 0.000 0.999 1115 D CB -0.072 40.733 40.800 0.009 0.000 1.072 1115 D HN 0.163 nan 8.370 nan 0.000 0.514 1116 c N 2.304 120.921 118.600 0.029 0.000 3.911 1116 c HA 0.368 4.934 4.570 -0.006 0.000 0.318 1116 c C 0.831 174.992 174.090 0.118 0.000 1.643 1116 c CA -0.683 55.734 56.329 0.147 0.000 1.845 1116 c CB -1.275 41.225 42.510 -0.018 0.000 2.981 1116 c HN 0.425 nan 8.230 nan 0.000 0.656 1117 L N 2.597 123.649 121.223 -0.284 0.000 2.415 1117 L HA 0.339 4.676 4.340 -0.006 0.000 0.269 1117 L C -0.736 175.560 176.870 -0.957 0.000 1.244 1117 L CA 0.704 55.160 54.840 -0.640 0.000 1.113 1117 L CB -0.831 40.652 42.059 -0.960 0.000 1.352 1117 L HN 0.388 nan 8.230 nan 0.000 0.433 1118 Y N 2.320 122.562 120.300 -0.097 0.000 2.638 1118 Y HA 0.724 5.271 4.550 -0.006 0.000 0.339 1118 Y C -0.238 175.811 175.900 0.249 0.000 1.084 1118 Y CA -1.312 56.802 58.100 0.023 0.000 1.068 1118 Y CB 1.872 40.306 38.460 -0.043 0.000 1.294 1118 Y HN 0.176 nan 8.280 nan 0.000 0.480 1119 L N -0.322 121.070 121.223 0.282 0.000 2.465 1119 L HA 0.721 5.058 4.340 -0.006 0.000 0.257 1119 L C -1.535 175.374 176.870 0.065 0.000 0.988 1119 L CA -1.231 53.699 54.840 0.150 0.000 0.827 1119 L CB 1.734 43.782 42.059 -0.019 0.000 1.397 1119 L HN 0.413 nan 8.230 nan 0.000 0.410 1120 N N 1.912 120.675 118.700 0.104 0.000 2.361 1120 N HA 0.723 5.460 4.740 -0.006 0.000 0.302 1120 N C -1.164 174.340 175.510 -0.010 0.000 1.074 1120 N CA -0.209 52.857 53.050 0.027 0.000 0.850 1120 N CB 2.550 41.108 38.487 0.118 0.000 1.228 1120 N HN 0.693 nan 8.380 nan 0.000 0.491 1121 I N 1.975 122.457 120.570 -0.148 0.000 2.465 1121 I HA 0.307 4.474 4.170 -0.006 0.000 0.291 1121 I C -1.124 174.922 176.117 -0.119 0.000 1.014 1121 I CA -0.754 60.511 61.300 -0.059 0.000 1.093 1121 I CB 1.242 39.114 38.000 -0.213 0.000 1.267 1121 I HN 0.342 nan 8.210 nan 0.000 0.431 1122 Y N 3.444 123.876 120.300 0.219 0.000 2.447 1122 Y HA 0.338 4.885 4.550 -0.006 0.000 0.325 1122 Y C 0.356 176.385 175.900 0.214 0.000 0.976 1122 Y CA -0.724 57.502 58.100 0.210 0.000 1.280 1122 Y CB 1.877 40.435 38.460 0.164 0.000 1.104 1122 Y HN 0.370 nan 8.280 nan 0.000 0.486 1123 T N 4.912 119.690 114.554 0.373 0.000 2.779 1123 T HA 0.317 4.663 4.350 -0.006 0.000 0.280 1123 T C -1.900 172.953 174.700 0.255 0.000 0.987 1123 T CA -2.384 59.907 62.100 0.319 0.000 0.966 1123 T CB 1.264 70.362 68.868 0.383 0.000 0.933 1123 T HN 0.357 nan 8.240 nan 0.000 0.442 1124 P HA 0.224 nan 4.420 nan 0.000 0.240 1124 P C 0.449 177.823 177.300 0.123 0.000 1.190 1124 P CA -0.066 63.099 63.100 0.108 0.000 0.781 1124 P CB 0.088 31.803 31.700 0.025 0.000 0.931 1125 A N 0.966 123.877 122.820 0.151 0.000 2.386 1125 A HA 0.172 4.488 4.320 -0.006 0.000 0.246 1125 A C 0.034 177.714 177.584 0.160 0.000 1.089 1125 A CA -0.037 52.082 52.037 0.136 0.000 0.790 1125 A CB -0.371 18.708 19.000 0.133 0.000 1.042 1125 A HN 0.005 nan 8.150 nan 0.000 0.497 1126 D N 0.803 121.278 120.400 0.125 0.000 2.347 1126 D HA 0.308 4.945 4.640 -0.006 0.000 0.235 1126 D C 0.579 176.958 176.300 0.132 0.000 1.149 1126 D CA -0.150 53.928 54.000 0.130 0.000 0.850 1126 D CB 0.264 41.112 40.800 0.080 0.000 1.061 1126 D HN 0.352 nan 8.370 nan 0.000 0.487 1127 L N 2.995 124.324 121.223 0.177 0.000 2.675 1127 L HA -0.004 4.333 4.340 -0.006 0.000 0.238 1127 L C 1.716 178.642 176.870 0.094 0.000 1.155 1127 L CA 0.728 55.648 54.840 0.133 0.000 0.881 1127 L CB -0.603 41.553 42.059 0.161 0.000 1.008 1127 L HN 0.504 nan 8.230 nan 0.000 0.443 1128 T N -4.824 109.786 114.554 0.094 0.000 3.086 1128 T HA 0.157 4.503 4.350 -0.006 0.000 0.250 1128 T C 0.675 175.403 174.700 0.046 0.000 1.074 1128 T CA -0.109 62.031 62.100 0.067 0.000 0.988 1128 T CB 0.460 69.369 68.868 0.068 0.000 0.988 1128 T HN 0.040 nan 8.240 nan 0.000 0.530 1129 K N 0.479 120.907 120.400 0.047 0.000 2.246 1129 K HA 0.543 4.859 4.320 -0.006 0.000 0.239 1129 K C -0.568 176.049 176.600 0.028 0.000 1.089 1129 K CA -0.966 55.342 56.287 0.035 0.000 0.892 1129 K CB 1.061 33.583 32.500 0.038 0.000 1.334 1129 K HN -0.193 nan 8.250 nan 0.000 0.507 1130 K N 2.280 122.693 120.400 0.022 0.000 2.432 1130 K HA 0.260 4.577 4.320 -0.006 0.000 0.226 1130 K C -1.136 175.477 176.600 0.021 0.000 1.057 1130 K CA -0.148 56.148 56.287 0.015 0.000 1.034 1130 K CB -0.220 32.283 32.500 0.005 0.000 1.561 1130 K HN 0.524 nan 8.250 nan 0.000 0.492 1131 N N 1.768 120.488 118.700 0.033 0.000 2.508 1131 N HA 0.222 4.959 4.740 -0.006 0.000 0.285 1131 N C -0.440 175.092 175.510 0.037 0.000 1.144 1131 N CA -0.254 52.820 53.050 0.040 0.000 0.978 1131 N CB 1.297 39.820 38.487 0.060 0.000 1.180 1131 N HN 0.252 nan 8.380 nan 0.000 0.484 1132 R N 1.690 122.210 120.500 0.032 0.000 2.653 1132 R HA 0.379 4.716 4.340 -0.006 0.000 0.269 1132 R C -0.780 175.537 176.300 0.028 0.000 1.603 1132 R CA -0.228 55.888 56.100 0.026 0.000 1.671 1132 R CB -0.054 30.251 30.300 0.008 0.000 1.300 1132 R HN 0.451 nan 8.270 nan 0.000 0.668 1133 L N 2.155 123.407 121.223 0.048 0.000 2.421 1133 L HA 0.562 4.898 4.340 -0.006 0.000 0.263 1133 L C -1.693 175.205 176.870 0.046 0.000 1.122 1133 L CA -2.093 52.775 54.840 0.047 0.000 0.804 1133 L CB 0.662 42.759 42.059 0.064 0.000 1.150 1133 L HN 0.204 nan 8.230 nan 0.000 0.457 1134 P HA 0.073 nan 4.420 nan 0.000 0.271 1134 P C -0.991 176.344 177.300 0.059 0.000 1.216 1134 P CA -0.111 63.006 63.100 0.028 0.000 0.776 1134 P CB 1.065 32.766 31.700 0.001 0.000 0.881 1135 V N 4.266 124.229 119.914 0.081 0.000 2.513 1135 V HA 0.431 4.548 4.120 -0.006 0.000 0.299 1135 V C 0.535 176.704 176.094 0.126 0.000 1.035 1135 V CA -0.477 61.896 62.300 0.121 0.000 0.889 1135 V CB 1.364 33.275 31.823 0.146 0.000 0.988 1135 V HN 0.493 nan 8.190 nan 0.000 0.440 1136 M N 4.327 124.025 119.600 0.163 0.000 2.085 1136 M HA 0.462 4.939 4.480 -0.006 0.000 0.309 1136 M C -1.154 175.440 176.300 0.488 0.000 0.947 1136 M CA -0.533 54.889 55.300 0.204 0.000 0.918 1136 M CB 1.993 34.569 32.600 -0.039 0.000 1.504 1136 M HN 0.385 nan 8.290 nan 0.000 0.420 1137 V N 3.738 123.946 119.914 0.490 0.000 2.364 1137 V HA 0.246 4.362 4.120 -0.006 0.000 0.272 1137 V C -0.532 175.842 176.094 0.468 0.000 1.036 1137 V CA -0.461 62.093 62.300 0.422 0.000 0.880 1137 V CB 0.855 32.808 31.823 0.217 0.000 0.991 1137 V HN 0.826 nan 8.190 nan 0.000 0.460 1138 W N 7.123 128.482 121.300 0.098 0.000 2.351 1138 W HA 0.580 5.237 4.660 -0.005 0.000 0.311 1138 W C -1.113 175.297 176.519 -0.182 0.000 1.168 1138 W CA -0.815 56.331 57.345 -0.331 0.000 1.200 1138 W CB 1.200 30.476 29.460 -0.307 0.000 1.221 1138 W HN 0.424 nan 8.180 nan 0.000 0.519 1139 I N 8.098 128.029 120.570 -1.065 0.000 2.405 1139 I HA 0.038 4.205 4.170 -0.006 0.000 0.280 1139 I C 1.038 176.437 176.117 -1.197 0.000 1.027 1139 I CA -0.784 60.019 61.300 -0.829 0.000 1.161 1139 I CB 0.637 38.276 38.000 -0.602 0.000 1.300 1139 I HN 0.422 nan 8.210 nan 0.000 0.463 1140 H N 4.563 123.191 119.070 -0.736 0.000 2.871 1140 H HA 0.302 4.855 4.556 -0.006 0.000 0.377 1140 H C -0.047 175.253 175.328 -0.048 0.000 1.307 1140 H CA -0.101 55.739 56.048 -0.347 0.000 1.449 1140 H CB 0.862 30.754 29.762 0.216 0.000 1.452 1140 H HN 0.573 nan 8.280 nan 0.000 0.619 1141 G N -2.203 106.781 108.800 0.307 0.000 2.887 1141 G HA2 0.490 4.446 3.960 -0.006 0.000 0.277 1141 G HA3 0.490 4.446 3.960 -0.006 0.000 0.277 1141 G C 0.159 175.310 174.900 0.417 0.000 1.346 1141 G CA -0.790 44.482 45.100 0.287 0.000 1.058 1141 G HN 1.211 nan 8.290 nan 0.000 0.535 1142 G N -2.438 106.529 108.800 0.278 0.000 2.263 1142 G HA2 0.416 4.372 3.960 -0.006 0.000 0.207 1142 G HA3 0.416 4.372 3.960 -0.006 0.000 0.207 1142 G C 0.955 175.923 174.900 0.114 0.000 1.072 1142 G CA 0.665 45.874 45.100 0.182 0.000 0.800 1142 G HN 2.293 nan 8.290 nan 0.000 0.491 1143 G N 0.100 108.959 108.800 0.098 0.000 2.321 1143 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.287 1143 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.287 1143 G C 1.240 176.113 174.900 -0.045 0.000 1.018 1143 G CA 0.724 45.836 45.100 0.020 0.000 0.855 1143 G HN 1.808 nan 8.290 nan 0.000 0.507 1144 L N -3.824 117.395 121.223 -0.005 0.000 4.555 1144 L HA -0.328 4.008 4.340 -0.006 0.000 0.431 1144 L C 2.150 179.038 176.870 0.029 0.000 1.136 1144 L CA 1.727 56.546 54.840 -0.034 0.000 0.972 1144 L CB -1.327 40.441 42.059 -0.485 0.000 1.999 1144 L HN 0.475 nan 8.230 nan 0.000 0.900 1145 M N -1.482 118.139 119.600 0.035 0.000 2.838 1145 M HA 0.269 4.746 4.480 -0.006 0.000 0.251 1145 M C 0.974 177.326 176.300 0.087 0.000 1.393 1145 M CA 1.430 56.763 55.300 0.054 0.000 1.196 1145 M CB 0.129 32.739 32.600 0.016 0.000 1.276 1145 M HN 0.223 nan 8.290 nan 0.000 0.541 1146 V N -2.130 117.827 119.914 0.073 0.000 3.164 1146 V HA 1.051 5.167 4.120 -0.006 0.000 0.313 1146 V C -0.126 176.012 176.094 0.072 0.000 1.188 1146 V CA -0.204 62.122 62.300 0.043 0.000 1.058 1146 V CB 1.149 32.978 31.823 0.011 0.000 1.110 1146 V HN 0.587 nan 8.190 nan 0.000 0.453 1147 G N -0.966 107.811 108.800 -0.038 0.000 2.406 1147 G HA2 0.596 4.552 3.960 -0.006 0.000 0.680 1147 G HA3 0.596 4.552 3.960 -0.006 0.000 0.680 1147 G C -0.675 173.880 174.900 -0.575 0.000 1.338 1147 G CA -0.157 44.825 45.100 -0.196 0.000 0.941 1147 G HN 2.630 nan 8.290 nan 0.000 0.633 1148 A N -1.056 121.236 122.820 -0.880 0.000 2.601 1148 A HA 1.045 5.361 4.320 -0.006 0.000 0.291 1148 A C 0.729 178.164 177.584 -0.250 0.000 1.075 1148 A CA 0.722 52.436 52.037 -0.538 0.000 0.671 1148 A CB 0.759 19.615 19.000 -0.240 0.000 1.277 1148 A HN 2.547 nan 8.150 nan 0.000 0.417 1149 A N 0.143 122.993 122.820 0.049 0.000 1.935 1149 A HA 0.182 4.498 4.320 -0.006 0.000 0.214 1149 A C 1.971 179.719 177.584 0.274 0.000 1.178 1149 A CA 2.132 54.355 52.037 0.310 0.000 0.640 1149 A CB -0.801 18.398 19.000 0.331 0.000 0.825 1149 A HN 1.173 nan 8.150 nan 0.000 0.447 1150 S N 0.155 115.927 115.700 0.119 0.000 2.465 1150 S HA -0.130 4.337 4.470 -0.006 0.000 0.241 1150 S C 1.830 176.329 174.600 -0.168 0.000 1.000 1150 S CA 1.585 59.790 58.200 0.007 0.000 0.964 1150 S CB -0.535 62.579 63.200 -0.144 0.000 0.763 1150 S HN 0.698 nan 8.310 nan 0.000 0.512 1151 T N 0.812 115.251 114.554 -0.191 0.000 2.759 1151 T HA -0.086 4.261 4.350 -0.006 0.000 0.269 1151 T C 0.074 174.395 174.700 -0.631 0.000 1.042 1151 T CA 1.122 62.952 62.100 -0.450 0.000 1.140 1151 T CB -0.273 68.228 68.868 -0.612 0.000 0.864 1151 T HN 0.419 nan 8.240 nan 0.000 0.455 1152 Y N 1.546 121.687 120.300 -0.265 0.000 2.341 1152 Y HA 0.462 5.009 4.550 -0.006 0.000 0.340 1152 Y C 0.045 175.743 175.900 -0.335 0.000 0.997 1152 Y CA -2.074 55.701 58.100 -0.540 0.000 1.149 1152 Y CB 0.488 38.330 38.460 -1.030 0.000 1.171 1152 Y HN -0.095 nan 8.280 nan 0.000 0.494 1153 D N 2.257 122.512 120.400 -0.241 0.000 2.317 1153 D HA 0.217 4.853 4.640 -0.006 0.000 0.234 1153 D C 0.930 176.991 176.300 -0.398 0.000 1.112 1153 D CA -0.232 53.611 54.000 -0.261 0.000 0.840 1153 D CB 1.618 42.347 40.800 -0.117 0.000 1.078 1153 D HN 0.844 nan 8.370 nan 0.000 0.486 1154 G N 3.651 111.809 108.800 -1.070 0.000 2.985 1154 G HA2 -0.086 3.870 3.960 -0.006 0.000 0.209 1154 G HA3 -0.086 3.870 3.960 -0.006 0.000 0.209 1154 G C 1.569 176.234 174.900 -0.391 0.000 1.165 1154 G CA -0.187 44.545 45.100 -0.612 0.000 0.776 1154 G HN 0.558 nan 8.290 nan 0.000 0.541 1155 L N 0.583 121.582 121.223 -0.372 0.000 2.011 1155 L HA -0.294 4.043 4.340 -0.006 0.000 0.225 1155 L C 3.124 179.954 176.870 -0.066 0.000 1.084 1155 L CA 2.258 57.062 54.840 -0.060 0.000 0.791 1155 L CB -0.403 41.671 42.059 0.024 0.000 0.898 1155 L HN 0.352 nan 8.230 nan 0.000 0.440 1156 A N -0.701 122.093 122.820 -0.043 0.000 1.877 1156 A HA -0.249 4.067 4.320 -0.006 0.000 0.216 1156 A C 2.063 179.609 177.584 -0.062 0.000 1.186 1156 A CA 1.792 53.825 52.037 -0.006 0.000 0.620 1156 A CB -0.809 18.210 19.000 0.032 0.000 0.822 1156 A HN 0.496 nan 8.150 nan 0.000 0.443 1157 L N -0.204 120.952 121.223 -0.112 0.000 2.083 1157 L HA -0.030 4.306 4.340 -0.006 0.000 0.209 1157 L C 2.571 179.382 176.870 -0.098 0.000 1.083 1157 L CA 2.188 56.942 54.840 -0.144 0.000 0.752 1157 L CB -0.859 41.063 42.059 -0.228 0.000 0.899 1157 L HN 0.336 nan 8.230 nan 0.000 0.433 1158 A N -0.363 122.412 122.820 -0.075 0.000 1.877 1158 A HA -0.063 4.254 4.320 -0.006 0.000 0.216 1158 A C 2.448 179.953 177.584 -0.132 0.000 1.186 1158 A CA 1.920 53.936 52.037 -0.035 0.000 0.620 1158 A CB -1.198 17.837 19.000 0.059 0.000 0.822 1158 A HN 0.581 nan 8.150 nan 0.000 0.443 1159 A N -1.484 121.160 122.820 -0.293 0.000 1.872 1159 A HA -0.142 4.174 4.320 -0.006 0.000 0.214 1159 A C 2.049 179.134 177.584 -0.832 0.000 1.187 1159 A CA 1.393 53.012 52.037 -0.696 0.000 0.614 1159 A CB -0.929 17.396 19.000 -1.125 0.000 0.826 1159 A HN 0.659 nan 8.150 nan 0.000 0.442 1160 H N -0.758 117.961 119.070 -0.585 0.000 2.457 1160 H HA -0.012 4.541 4.556 -0.006 0.000 0.294 1160 H C 0.766 176.040 175.328 -0.091 0.000 1.064 1160 H CA 1.465 57.370 56.048 -0.239 0.000 1.330 1160 H CB 0.367 29.953 29.762 -0.294 0.000 1.395 1160 H HN 0.440 nan 8.280 nan 0.000 0.541 1161 E N -0.165 120.028 120.200 -0.013 0.000 2.630 1161 E HA 0.015 4.361 4.350 -0.006 0.000 0.218 1161 E C -0.128 176.476 176.600 0.006 0.000 0.977 1161 E CA -0.260 56.146 56.400 0.010 0.000 1.038 1161 E CB 0.033 29.734 29.700 0.002 0.000 1.051 1161 E HN 0.379 nan 8.360 nan 0.000 0.487 1162 N N 0.899 119.590 118.700 -0.015 0.000 2.725 1162 N HA -0.179 4.557 4.740 -0.006 0.000 0.251 1162 N C -0.436 175.089 175.510 0.025 0.000 1.031 1162 N CA 0.514 53.569 53.050 0.008 0.000 0.720 1162 N CB -0.726 37.779 38.487 0.029 0.000 0.930 1162 N HN 0.057 nan 8.380 nan 0.000 0.543 1163 V N -2.895 117.034 119.914 0.026 0.000 3.001 1163 V HA 0.755 4.872 4.120 -0.006 0.000 0.314 1163 V C 0.329 176.477 176.094 0.089 0.000 1.099 1163 V CA -0.835 61.493 62.300 0.047 0.000 0.989 1163 V CB 2.185 34.022 31.823 0.024 0.000 1.040 1163 V HN -0.120 nan 8.190 nan 0.000 0.434 1164 V N 3.331 123.318 119.914 0.121 0.000 2.406 1164 V HA 0.433 4.550 4.120 -0.006 0.000 0.272 1164 V C 0.103 176.321 176.094 0.206 0.000 1.043 1164 V CA -0.252 62.155 62.300 0.179 0.000 0.915 1164 V CB 1.224 33.159 31.823 0.187 0.000 0.988 1164 V HN 0.750 nan 8.190 nan 0.000 0.466 1165 V N 6.048 126.124 119.914 0.269 0.000 2.398 1165 V HA 0.480 4.597 4.120 -0.006 0.000 0.286 1165 V C -0.145 176.196 176.094 0.413 0.000 1.026 1165 V CA -0.520 61.979 62.300 0.333 0.000 0.868 1165 V CB 1.836 33.834 31.823 0.292 0.000 0.982 1165 V HN 0.587 nan 8.190 nan 0.000 0.443 1166 V N 4.096 124.244 119.914 0.390 0.000 2.407 1166 V HA 0.461 4.577 4.120 -0.006 0.000 0.291 1166 V C 0.195 176.514 176.094 0.374 0.000 1.018 1166 V CA -0.494 62.003 62.300 0.329 0.000 0.842 1166 V CB 2.123 34.084 31.823 0.230 0.000 0.996 1166 V HN 1.011 nan 8.190 nan 0.000 0.426 1167 T N 3.936 118.726 114.554 0.395 0.000 2.767 1167 T HA 0.801 5.148 4.350 -0.006 0.000 0.284 1167 T C -0.362 174.521 174.700 0.306 0.000 0.973 1167 T CA -0.485 61.869 62.100 0.423 0.000 0.996 1167 T CB 1.315 70.483 68.868 0.500 0.000 0.927 1167 T HN 0.650 nan 8.240 nan 0.000 0.456 1168 I N 0.144 120.873 120.570 0.264 0.000 2.750 1168 I HA 0.655 4.821 4.170 -0.006 0.000 0.308 1168 I C -0.647 175.696 176.117 0.377 0.000 1.016 1168 I CA -1.268 60.167 61.300 0.226 0.000 1.098 1168 I CB 2.065 40.087 38.000 0.036 0.000 1.279 1168 I HN 0.556 nan 8.210 nan 0.000 0.454 1169 Q N 2.456 122.519 119.800 0.438 0.000 2.351 1169 Q HA 0.575 4.911 4.340 -0.006 0.000 0.273 1169 Q C -1.893 174.423 176.000 0.527 0.000 1.077 1169 Q CA -0.809 55.257 55.803 0.438 0.000 0.843 1169 Q CB 2.752 31.670 28.738 0.299 0.000 1.367 1169 Q HN 0.726 nan 8.270 nan 0.000 0.449 1170 Y N -2.716 117.739 120.300 0.258 0.000 2.552 1170 Y HA 0.496 5.042 4.550 -0.007 0.000 0.337 1170 Y C -0.911 175.076 175.900 0.145 0.000 1.094 1170 Y CA -1.442 56.775 58.100 0.196 0.000 1.028 1170 Y CB 0.725 39.263 38.460 0.130 0.000 1.321 1170 Y HN 0.427 nan 8.280 nan 0.000 0.456 1171 R N 2.391 122.978 120.500 0.144 0.000 2.583 1171 R HA 0.290 4.626 4.340 -0.006 0.000 0.274 1171 R C -0.813 175.558 176.300 0.119 0.000 0.998 1171 R CA 0.319 56.465 56.100 0.076 0.000 1.081 1171 R CB 0.152 30.519 30.300 0.113 0.000 0.940 1171 R HN 0.691 nan 8.270 nan 0.000 0.413 1172 L N 1.424 122.739 121.223 0.154 0.000 2.304 1172 L HA 0.476 4.813 4.340 -0.006 0.000 0.268 1172 L C 1.416 178.576 176.870 0.482 0.000 1.010 1172 L CA -0.385 54.633 54.840 0.296 0.000 0.813 1172 L CB 1.483 43.621 42.059 0.132 0.000 1.315 1172 L HN 0.898 nan 8.230 nan 0.000 0.445 1173 G N 0.592 109.662 108.800 0.449 0.000 2.672 1173 G HA2 -0.352 3.604 3.960 -0.006 0.000 0.324 1173 G HA3 -0.352 3.604 3.960 -0.006 0.000 0.324 1173 G C 0.889 176.009 174.900 0.366 0.000 1.286 1173 G CA 0.736 46.032 45.100 0.326 0.000 1.004 1173 G HN 0.638 nan 8.290 nan 0.000 0.548 1174 I N -0.378 120.323 120.570 0.218 0.000 2.127 1174 I HA -0.195 3.972 4.170 -0.006 0.000 0.241 1174 I C 2.894 179.198 176.117 0.312 0.000 1.075 1174 I CA 2.427 63.800 61.300 0.123 0.000 1.334 1174 I CB -0.371 37.446 38.000 -0.305 0.000 1.040 1174 I HN 0.570 nan 8.210 nan 0.000 0.405 1175 W N 0.679 122.149 121.300 0.284 0.000 2.338 1175 W HA -0.138 4.521 4.660 -0.002 0.000 0.304 1175 W C 2.413 179.063 176.519 0.218 0.000 1.212 1175 W CA 1.339 58.767 57.345 0.139 0.000 1.264 1175 W CB -1.062 28.383 29.460 -0.026 0.000 1.142 1175 W HN 0.246 nan 8.180 nan 0.000 0.512 1176 G N -2.100 106.942 108.800 0.404 0.000 2.744 1176 G HA2 -0.002 3.954 3.960 -0.006 0.000 0.211 1176 G HA3 -0.002 3.954 3.960 -0.006 0.000 0.211 1176 G C 0.742 175.280 174.900 -0.602 0.000 1.146 1176 G CA 0.204 45.277 45.100 -0.045 0.000 0.787 1176 G HN 0.164 nan 8.290 nan 0.000 0.534 1177 F N -1.268 118.892 119.950 0.350 0.000 2.899 1177 F HA 0.396 4.919 4.527 -0.007 0.000 0.337 1177 F C 0.232 176.117 175.800 0.143 0.000 1.129 1177 F CA -1.689 56.392 58.000 0.134 0.000 1.128 1177 F CB 0.206 39.206 39.000 0.001 0.000 1.154 1177 F HN -0.014 nan 8.300 nan 0.000 0.531 1178 F N 2.245 122.376 119.950 0.301 0.000 2.602 1178 F HA 0.301 4.822 4.527 -0.010 0.000 0.385 1178 F C 0.487 176.352 175.800 0.109 0.000 1.063 1178 F CA 0.473 58.549 58.000 0.127 0.000 1.233 1178 F CB 0.446 39.402 39.000 -0.074 0.000 1.067 1178 F HN -0.085 nan 8.300 nan 0.000 0.564 1179 S N 3.826 119.089 115.700 -0.729 0.000 2.614 1179 S HA 0.280 4.746 4.470 -0.006 0.000 0.288 1179 S C 0.437 174.646 174.600 -0.653 0.000 1.137 1179 S CA -0.104 57.776 58.200 -0.533 0.000 0.992 1179 S CB 1.270 64.303 63.200 -0.278 0.000 1.026 1179 S HN 0.824 nan 8.310 nan 0.000 0.486 1180 T N 1.144 115.427 114.554 -0.452 0.000 3.129 1180 T HA 0.350 4.697 4.350 -0.006 0.000 0.251 1180 T C 1.526 176.142 174.700 -0.140 0.000 1.117 1180 T CA 0.669 62.605 62.100 -0.273 0.000 1.034 1180 T CB -0.165 68.656 68.868 -0.078 0.000 0.968 1180 T HN 1.735 nan 8.240 nan 0.000 0.526 1181 G N 2.016 110.732 108.800 -0.141 0.000 2.179 1181 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.260 1181 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.260 1181 G C -0.255 174.611 174.900 -0.057 0.000 0.977 1181 G CA 0.365 45.410 45.100 -0.092 0.000 0.641 1181 G HN 0.928 nan 8.290 nan 0.000 0.533 1182 D N -1.904 118.474 120.400 -0.036 0.000 2.781 1182 D HA 0.498 5.135 4.640 -0.006 0.000 0.295 1182 D C 1.366 177.640 176.300 -0.043 0.000 1.143 1182 D CA -0.012 53.971 54.000 -0.030 0.000 1.076 1182 D CB -0.204 40.598 40.800 0.003 0.000 1.444 1182 D HN 0.089 nan 8.370 nan 0.000 0.567 1183 E N -0.111 120.014 120.200 -0.125 0.000 2.209 1183 E HA -0.270 4.076 4.350 -0.006 0.000 0.196 1183 E C 1.100 177.618 176.600 -0.137 0.000 0.993 1183 E CA 1.369 57.674 56.400 -0.158 0.000 0.819 1183 E CB -0.692 28.866 29.700 -0.237 0.000 0.745 1183 E HN 0.546 nan 8.360 nan 0.000 0.477 1184 H N 0.428 119.553 119.070 0.091 0.000 2.491 1184 H HA 0.106 4.664 4.556 0.004 0.000 0.290 1184 H C 0.447 175.884 175.328 0.181 0.000 1.050 1184 H CA 1.335 57.452 56.048 0.115 0.000 1.309 1184 H CB 0.277 30.091 29.762 0.087 0.000 1.392 1184 H HN 0.123 nan 8.280 nan 0.000 0.554 1185 S N -0.339 115.522 115.700 0.268 0.000 2.689 1185 S HA 0.207 4.673 4.470 -0.006 0.000 0.151 1185 S C 0.818 175.550 174.600 0.221 0.000 1.155 1185 S CA -0.610 57.829 58.200 0.398 0.000 1.144 1185 S CB 0.309 63.700 63.200 0.317 0.000 1.526 1185 S HN 0.171 nan 8.310 nan 0.000 0.419 1186 R N 1.621 122.222 120.500 0.169 0.000 2.091 1186 R HA 0.169 4.505 4.340 -0.006 0.000 0.238 1186 R C 1.436 177.520 176.300 -0.360 0.000 1.136 1186 R CA 1.239 57.270 56.100 -0.116 0.000 0.959 1186 R CB -0.285 29.930 30.300 -0.141 0.000 0.856 1186 R HN 0.857 nan 8.270 nan 0.000 0.437 1187 G N -0.421 107.861 108.800 -0.863 0.000 2.549 1187 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.404 1187 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.404 1187 G C -0.500 173.614 174.900 -1.309 0.000 1.292 1187 G CA -0.342 44.089 45.100 -1.115 0.000 0.935 1187 G HN 0.255 nan 8.290 nan 0.000 0.512 1188 N N -1.350 116.909 118.700 -0.734 0.000 2.782 1188 N HA -0.200 4.537 4.740 -0.006 0.000 0.251 1188 N C 1.258 176.475 175.510 -0.489 0.000 1.101 1188 N CA 1.995 54.811 53.050 -0.390 0.000 0.764 1188 N CB -1.615 36.800 38.487 -0.120 0.000 1.122 1188 N HN 0.730 nan 8.380 nan 0.000 0.561 1189 W N 0.592 121.758 121.300 -0.224 0.000 2.308 1189 W HA -0.153 4.502 4.660 -0.008 0.000 0.301 1189 W C 2.463 178.854 176.519 -0.213 0.000 1.220 1189 W CA 0.912 58.166 57.345 -0.151 0.000 1.240 1189 W CB -0.707 28.707 29.460 -0.078 0.000 1.142 1189 W HN 0.298 nan 8.180 nan 0.000 0.521 1190 G N -0.513 108.040 108.800 -0.412 0.000 2.422 1190 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.218 1190 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.218 1190 G C 1.218 176.093 174.900 -0.042 0.000 1.146 1190 G CA 1.221 46.202 45.100 -0.198 0.000 0.769 1190 G HN 0.289 nan 8.290 nan 0.000 0.547 1191 H N 0.310 119.366 119.070 -0.024 0.000 2.395 1191 H HA 0.118 4.670 4.556 -0.006 0.000 0.299 1191 H C 2.693 178.011 175.328 -0.017 0.000 1.070 1191 H CA 0.666 56.695 56.048 -0.030 0.000 1.356 1191 H CB -0.246 29.510 29.762 -0.009 0.000 1.401 1191 H HN 0.268 nan 8.280 nan 0.000 0.524 1192 L N 0.384 121.694 121.223 0.144 0.000 2.201 1192 L HA -0.138 4.198 4.340 -0.006 0.000 0.212 1192 L C 1.913 178.889 176.870 0.176 0.000 1.105 1192 L CA 0.829 55.758 54.840 0.148 0.000 0.775 1192 L CB -0.179 41.994 42.059 0.190 0.000 0.913 1192 L HN 0.111 nan 8.230 nan 0.000 0.440 1193 D N -0.084 120.438 120.400 0.204 0.000 2.117 1193 D HA -0.165 4.472 4.640 -0.006 0.000 0.198 1193 D C 2.269 178.694 176.300 0.209 0.000 0.982 1193 D CA 1.030 55.215 54.000 0.308 0.000 0.828 1193 D CB -0.038 40.982 40.800 0.366 0.000 0.967 1193 D HN 0.379 nan 8.370 nan 0.000 0.464 1194 Q N 0.223 120.065 119.800 0.071 0.000 2.084 1194 Q HA -0.093 4.244 4.340 -0.006 0.000 0.202 1194 Q C 2.388 178.345 176.000 -0.071 0.000 0.978 1194 Q CA 0.845 56.601 55.803 -0.079 0.000 0.844 1194 Q CB 0.044 28.680 28.738 -0.170 0.000 0.898 1194 Q HN 0.120 nan 8.270 nan 0.000 0.426 1195 V N 0.852 120.767 119.914 0.002 0.000 2.343 1195 V HA -0.288 3.829 4.120 -0.006 0.000 0.247 1195 V C 2.241 178.365 176.094 0.049 0.000 1.051 1195 V CA 1.796 64.110 62.300 0.023 0.000 1.036 1195 V CB -1.014 30.838 31.823 0.048 0.000 0.654 1195 V HN 0.423 nan 8.190 nan 0.000 0.451 1196 A N -0.020 122.864 122.820 0.107 0.000 1.940 1196 A HA -0.137 4.179 4.320 -0.006 0.000 0.219 1196 A C 2.410 180.047 177.584 0.089 0.000 1.176 1196 A CA 2.141 54.291 52.037 0.188 0.000 0.631 1196 A CB -0.712 18.500 19.000 0.355 0.000 0.814 1196 A HN 0.579 nan 8.150 nan 0.000 0.446 1197 A N -0.291 122.354 122.820 -0.292 0.000 1.898 1197 A HA 0.002 4.318 4.320 -0.006 0.000 0.216 1197 A C 2.144 179.656 177.584 -0.119 0.000 1.181 1197 A CA 1.400 53.034 52.037 -0.672 0.000 0.620 1197 A CB -0.565 17.786 19.000 -1.082 0.000 0.819 1197 A HN 0.469 nan 8.150 nan 0.000 0.442 1198 L N -1.162 120.028 121.223 -0.056 0.000 2.083 1198 L HA -0.173 4.163 4.340 -0.006 0.000 0.209 1198 L C 2.833 179.759 176.870 0.094 0.000 1.083 1198 L CA 1.335 56.201 54.840 0.042 0.000 0.752 1198 L CB -0.436 41.648 42.059 0.041 0.000 0.899 1198 L HN 0.349 nan 8.230 nan 0.000 0.433 1199 R N -1.171 119.390 120.500 0.100 0.000 2.115 1199 R HA -0.212 4.124 4.340 -0.006 0.000 0.230 1199 R C 2.089 178.466 176.300 0.128 0.000 1.111 1199 R CA 1.764 57.926 56.100 0.104 0.000 0.976 1199 R CB -0.369 30.000 30.300 0.114 0.000 0.870 1199 R HN 0.408 nan 8.270 nan 0.000 0.445 1200 W N 0.628 121.943 121.300 0.025 0.000 2.379 1200 W HA -0.185 4.471 4.660 -0.006 0.000 0.307 1200 W C 1.760 178.297 176.519 0.029 0.000 1.200 1200 W CA 1.121 58.497 57.345 0.052 0.000 1.297 1200 W CB -0.249 29.270 29.460 0.098 0.000 1.140 1200 W HN -0.244 nan 8.180 nan 0.000 0.507 1201 V N 1.006 121.100 119.914 0.301 0.000 2.282 1201 V HA -0.415 3.702 4.120 -0.006 0.000 0.249 1201 V C 2.407 178.480 176.094 -0.035 0.000 1.057 1201 V CA 2.511 64.907 62.300 0.160 0.000 1.032 1201 V CB -1.292 30.652 31.823 0.203 0.000 0.645 1201 V HN 0.421 nan 8.190 nan 0.000 0.447 1202 Q N -0.302 119.494 119.800 -0.007 0.000 2.135 1202 Q HA -0.258 4.078 4.340 -0.006 0.000 0.204 1202 Q C 1.686 177.621 176.000 -0.107 0.000 0.981 1202 Q CA 2.134 57.923 55.803 -0.023 0.000 0.856 1202 Q CB -0.102 28.641 28.738 0.008 0.000 0.902 1202 Q HN 0.660 nan 8.270 nan 0.000 0.425 1203 D N -0.642 119.634 120.400 -0.206 0.000 2.305 1203 D HA -0.005 4.631 4.640 -0.006 0.000 0.206 1203 D C 0.929 177.002 176.300 -0.378 0.000 0.974 1203 D CA 0.521 54.361 54.000 -0.268 0.000 0.871 1203 D CB 0.136 40.764 40.800 -0.287 0.000 0.947 1203 D HN 0.376 nan 8.370 nan 0.000 0.516 1204 N N 0.008 118.370 118.700 -0.564 0.000 2.382 1204 N HA 0.013 4.749 4.740 -0.006 0.000 0.200 1204 N C 1.626 177.003 175.510 -0.223 0.000 1.122 1204 N CA -0.195 52.511 53.050 -0.573 0.000 0.870 1204 N CB 0.863 38.589 38.487 -1.267 0.000 1.176 1204 N HN -0.021 nan 8.380 nan 0.000 0.474 1205 I N 2.721 123.195 120.570 -0.160 0.000 2.502 1205 I HA -0.201 3.966 4.170 -0.006 0.000 0.258 1205 I C 2.136 178.336 176.117 0.139 0.000 1.172 1205 I CA 0.620 61.977 61.300 0.096 0.000 1.430 1205 I CB -0.290 37.763 38.000 0.088 0.000 1.086 1205 I HN 0.081 nan 8.210 nan 0.000 0.440 1206 A N -1.183 121.653 122.820 0.027 0.000 2.015 1206 A HA -0.146 4.171 4.320 -0.006 0.000 0.219 1206 A C 2.397 179.971 177.584 -0.016 0.000 1.163 1206 A CA 1.789 53.831 52.037 0.009 0.000 0.646 1206 A CB -0.751 18.230 19.000 -0.032 0.000 0.806 1206 A HN 0.454 nan 8.150 nan 0.000 0.448 1207 S N -0.910 114.747 115.700 -0.073 0.000 2.481 1207 S HA 0.016 4.482 4.470 -0.006 0.000 0.231 1207 S C 0.812 175.174 174.600 -0.397 0.000 0.996 1207 S CA 0.720 58.767 58.200 -0.254 0.000 0.942 1207 S CB -0.375 62.586 63.200 -0.399 0.000 0.768 1207 S HN 0.580 nan 8.310 nan 0.000 0.520 1208 F N 0.948 120.867 119.950 -0.050 0.000 2.660 1208 F HA 0.370 4.893 4.527 -0.006 0.000 0.302 1208 F C 1.698 177.532 175.800 0.057 0.000 1.103 1208 F CA -0.028 57.963 58.000 -0.015 0.000 1.340 1208 F CB -0.022 38.965 39.000 -0.022 0.000 1.048 1208 F HN 0.258 nan 8.300 nan 0.000 0.551 1209 G N 0.346 109.229 108.800 0.139 0.000 2.141 1209 G HA2 -0.165 3.791 3.960 -0.006 0.000 0.242 1209 G HA3 -0.165 3.791 3.960 -0.006 0.000 0.242 1209 G C 0.541 175.513 174.900 0.120 0.000 0.982 1209 G CA -0.206 44.965 45.100 0.117 0.000 0.662 1209 G HN 0.737 nan 8.290 nan 0.000 0.527 1210 G N -0.681 108.201 108.800 0.137 0.000 2.462 1210 G HA2 0.517 4.474 3.960 -0.006 0.000 0.319 1210 G HA3 0.517 4.474 3.960 -0.006 0.000 0.319 1210 G C -0.361 174.582 174.900 0.071 0.000 1.171 1210 G CA -0.197 44.972 45.100 0.115 0.000 0.920 1210 G HN 0.487 nan 8.290 nan 0.000 0.499 1211 N N 1.096 119.830 118.700 0.056 0.000 2.527 1211 N HA 0.291 5.028 4.740 -0.006 0.000 0.236 1211 N C -1.147 174.384 175.510 0.036 0.000 0.999 1211 N CA -2.495 50.570 53.050 0.025 0.000 0.935 1211 N CB 2.026 40.512 38.487 -0.002 0.000 1.132 1211 N HN 0.094 nan 8.380 nan 0.000 0.511 1212 P HA -0.058 nan 4.420 nan 0.000 0.223 1212 P C 0.902 178.264 177.300 0.103 0.000 1.144 1212 P CA 0.826 63.965 63.100 0.065 0.000 0.783 1212 P CB 0.145 31.860 31.700 0.025 0.000 0.771 1213 G N -1.008 107.781 108.800 -0.019 0.000 2.985 1213 G HA2 0.004 3.960 3.960 -0.006 0.000 0.209 1213 G HA3 0.004 3.960 3.960 -0.006 0.000 0.209 1213 G C 0.538 175.090 174.900 -0.580 0.000 1.165 1213 G CA 0.129 45.098 45.100 -0.217 0.000 0.776 1213 G HN 0.354 nan 8.290 nan 0.000 0.541 1214 S N 0.178 115.763 115.700 -0.192 0.000 2.317 1214 S HA 0.463 4.930 4.470 -0.006 0.000 0.144 1214 S C -0.838 173.862 174.600 0.167 0.000 1.660 1214 S CA -0.420 57.723 58.200 -0.095 0.000 1.273 1214 S CB 0.353 63.494 63.200 -0.099 0.000 1.330 1214 S HN -0.046 nan 8.310 nan 0.000 0.395 1215 V N 3.165 123.362 119.914 0.473 0.000 2.398 1215 V HA 0.556 4.673 4.120 -0.006 0.000 0.286 1215 V C 0.258 176.494 176.094 0.236 0.000 1.026 1215 V CA -0.434 62.039 62.300 0.288 0.000 0.868 1215 V CB 1.749 33.722 31.823 0.251 0.000 0.982 1215 V HN 0.629 nan 8.190 nan 0.000 0.443 1216 T N 6.320 120.969 114.554 0.159 0.000 2.792 1216 T HA 0.601 4.948 4.350 -0.006 0.000 0.280 1216 T C -0.191 174.622 174.700 0.189 0.000 0.990 1216 T CA -0.192 61.986 62.100 0.129 0.000 0.960 1216 T CB 0.919 69.792 68.868 0.008 0.000 0.939 1216 T HN 0.637 nan 8.240 nan 0.000 0.439 1217 I N 1.976 122.639 120.570 0.155 0.000 2.336 1217 I HA 0.851 5.017 4.170 -0.006 0.000 0.292 1217 I C -0.965 175.328 176.117 0.293 0.000 0.991 1217 I CA -0.966 60.423 61.300 0.147 0.000 1.227 1217 I CB 0.818 38.685 38.000 -0.220 0.000 1.366 1217 I HN 0.458 nan 8.210 nan 0.000 0.466 1218 F N 3.345 123.327 119.950 0.052 0.000 2.626 1218 F HA 1.031 5.554 4.527 -0.006 0.000 0.311 1218 F C -0.364 175.392 175.800 -0.073 0.000 1.088 1218 F CA -1.600 56.470 58.000 0.117 0.000 0.949 1218 F CB 1.333 40.538 39.000 0.341 0.000 1.322 1218 F HN 0.832 nan 8.300 nan 0.000 0.461 1219 G N 1.042 109.698 108.800 -0.240 0.000 2.547 1219 G HA2 0.534 4.490 3.960 -0.006 0.000 0.291 1219 G HA3 0.534 4.490 3.960 -0.006 0.000 0.291 1219 G C -2.440 172.240 174.900 -0.368 0.000 1.471 1219 G CA -0.830 43.697 45.100 -0.955 0.000 0.798 1219 G HN 1.088 nan 8.290 nan 0.000 0.504 1220 E N -0.477 119.508 120.200 -0.358 0.000 2.266 1220 E HA 0.790 5.136 4.350 -0.006 0.000 0.268 1220 E C 0.546 177.193 176.600 0.079 0.000 0.879 1220 E CA 0.087 56.496 56.400 0.015 0.000 0.762 1220 E CB 1.935 31.729 29.700 0.156 0.000 1.199 1220 E HN 1.400 nan 8.360 nan 0.000 0.422 1221 S N 1.897 117.713 115.700 0.193 0.000 4.142 1221 S HA -0.351 4.116 4.470 -0.006 0.000 0.624 1221 S C 1.495 176.204 174.600 0.181 0.000 1.892 1221 S CA 1.882 60.292 58.200 0.351 0.000 4.236 1221 S CB -1.858 61.657 63.200 0.525 0.000 0.204 1221 S HN 1.537 nan 8.310 nan 0.000 0.486 1222 A N 1.069 123.976 122.820 0.146 0.000 2.070 1222 A HA 0.241 4.557 4.320 -0.006 0.000 0.220 1222 A C 2.321 179.880 177.584 -0.041 0.000 1.159 1222 A CA 2.262 54.325 52.037 0.043 0.000 0.656 1222 A CB -1.346 17.687 19.000 0.054 0.000 0.800 1222 A HN 1.506 nan 8.150 nan 0.000 0.453 1223 G N -0.598 108.147 108.800 -0.092 0.000 2.403 1223 G HA2 0.107 4.063 3.960 -0.006 0.000 0.216 1223 G HA3 0.107 4.063 3.960 -0.006 0.000 0.216 1223 G C 1.445 176.206 174.900 -0.230 0.000 1.154 1223 G CA 1.059 45.986 45.100 -0.289 0.000 0.784 1223 G HN 0.629 nan 8.290 nan 0.000 0.538 1224 G N 0.203 108.944 108.800 -0.098 0.000 2.421 1224 G HA2 -0.114 3.843 3.960 -0.006 0.000 0.217 1224 G HA3 -0.114 3.843 3.960 -0.006 0.000 0.217 1224 G C 1.540 176.424 174.900 -0.026 0.000 1.143 1224 G CA 1.038 46.124 45.100 -0.023 0.000 0.784 1224 G HN 0.427 nan 8.290 nan 0.000 0.541 1225 E N 0.922 121.103 120.200 -0.031 0.000 2.107 1225 E HA -0.073 4.273 4.350 -0.006 0.000 0.191 1225 E C 2.560 179.101 176.600 -0.098 0.000 0.982 1225 E CA 0.979 57.348 56.400 -0.052 0.000 0.809 1225 E CB -0.158 29.515 29.700 -0.044 0.000 0.756 1225 E HN 0.325 nan 8.360 nan 0.000 0.459 1226 S N 0.374 116.012 115.700 -0.105 0.000 2.353 1226 S HA -0.145 4.321 4.470 -0.006 0.000 0.222 1226 S C 2.171 176.621 174.600 -0.250 0.000 1.035 1226 S CA 1.342 59.456 58.200 -0.143 0.000 1.025 1226 S CB -0.391 62.678 63.200 -0.220 0.000 0.902 1226 S HN 0.139 nan 8.310 nan 0.000 0.440 1227 V N 1.413 121.180 119.914 -0.246 0.000 2.282 1227 V HA -0.211 3.905 4.120 -0.006 0.000 0.249 1227 V C 2.616 178.529 176.094 -0.302 0.000 1.057 1227 V CA 2.136 64.261 62.300 -0.292 0.000 1.032 1227 V CB -0.960 30.753 31.823 -0.184 0.000 0.645 1227 V HN 0.566 nan 8.190 nan 0.000 0.447 1228 S N -0.650 114.945 115.700 -0.175 0.000 2.370 1228 S HA -0.187 4.279 4.470 -0.006 0.000 0.226 1228 S C 1.945 176.411 174.600 -0.223 0.000 1.033 1228 S CA 1.994 60.110 58.200 -0.140 0.000 1.011 1228 S CB -0.238 62.949 63.200 -0.022 0.000 0.852 1228 S HN 0.336 nan 8.310 nan 0.000 0.457 1229 V N 1.952 121.716 119.914 -0.250 0.000 2.427 1229 V HA -0.087 4.029 4.120 -0.006 0.000 0.248 1229 V C 2.340 178.263 176.094 -0.285 0.000 1.051 1229 V CA 1.600 63.721 62.300 -0.299 0.000 1.048 1229 V CB -0.610 30.940 31.823 -0.456 0.000 0.666 1229 V HN 0.486 nan 8.190 nan 0.000 0.456 1230 L N -0.509 120.534 121.223 -0.300 0.000 2.131 1230 L HA -0.128 4.208 4.340 -0.006 0.000 0.210 1230 L C 2.417 179.267 176.870 -0.034 0.000 1.092 1230 L CA 0.928 55.637 54.840 -0.220 0.000 0.759 1230 L CB -0.581 41.262 42.059 -0.361 0.000 0.903 1230 L HN 0.218 nan 8.230 nan 0.000 0.435 1231 V N 0.158 119.998 119.914 -0.123 0.000 2.490 1231 V HA -0.235 3.882 4.120 -0.006 0.000 0.250 1231 V C 2.040 178.087 176.094 -0.078 0.000 1.061 1231 V CA 1.374 63.689 62.300 0.026 0.000 1.064 1231 V CB -0.243 31.372 31.823 -0.347 0.000 0.670 1231 V HN 0.406 nan 8.190 nan 0.000 0.461 1232 L N -0.827 120.263 121.223 -0.221 0.000 2.607 1232 L HA 0.203 4.540 4.340 -0.006 0.000 0.228 1232 L C 1.007 177.814 176.870 -0.105 0.000 1.123 1232 L CA 0.144 54.813 54.840 -0.285 0.000 0.890 1232 L CB 0.184 42.058 42.059 -0.308 0.000 1.103 1232 L HN 0.179 nan 8.230 nan 0.000 0.468 1233 S N 0.888 116.557 115.700 -0.052 0.000 2.457 1233 S HA 0.313 4.779 4.470 -0.006 0.000 0.289 1233 S C -1.348 173.238 174.600 -0.024 0.000 1.163 1233 S CA -1.494 56.681 58.200 -0.043 0.000 1.078 1233 S CB 1.128 64.286 63.200 -0.070 0.000 0.987 1233 S HN -0.033 nan 8.310 nan 0.000 0.482 1234 P HA -0.036 nan 4.420 nan 0.000 0.226 1234 P C 1.328 178.587 177.300 -0.068 0.000 1.153 1234 P CA 0.639 63.709 63.100 -0.050 0.000 0.777 1234 P CB 0.114 31.800 31.700 -0.022 0.000 0.794 1235 L N -0.774 120.424 121.223 -0.042 0.000 2.291 1235 L HA -0.017 4.319 4.340 -0.006 0.000 0.214 1235 L C 2.304 179.161 176.870 -0.023 0.000 1.120 1235 L CA 1.316 56.141 54.840 -0.026 0.000 0.799 1235 L CB -0.592 41.462 42.059 -0.009 0.000 0.925 1235 L HN -0.018 nan 8.230 nan 0.000 0.446 1236 A N -0.026 122.783 122.820 -0.017 0.000 2.390 1236 A HA 0.057 4.374 4.320 -0.006 0.000 0.232 1236 A C 0.736 178.267 177.584 -0.089 0.000 1.233 1236 A CA -0.371 51.699 52.037 0.055 0.000 0.907 1236 A CB -0.104 19.020 19.000 0.207 0.000 0.967 1236 A HN 0.320 nan 8.150 nan 0.000 0.512 1237 K N 0.910 121.086 120.400 -0.374 0.000 2.453 1237 K HA 0.075 4.391 4.320 -0.006 0.000 0.280 1237 K C -0.343 175.975 176.600 -0.470 0.000 1.045 1237 K CA 0.265 55.990 56.287 -0.937 0.000 1.059 1237 K CB 0.024 32.045 32.500 -0.798 0.000 0.901 1237 K HN 0.129 nan 8.250 nan 0.000 0.475 1238 N N 1.636 120.087 118.700 -0.415 0.000 3.041 1238 N HA -0.129 4.607 4.740 -0.006 0.000 0.238 1238 N C -0.213 175.197 175.510 -0.167 0.000 1.005 1238 N CA 0.791 53.719 53.050 -0.204 0.000 0.919 1238 N CB -1.030 37.389 38.487 -0.113 0.000 1.104 1238 N HN 0.715 nan 8.380 nan 0.000 0.551 1239 L N -0.801 120.331 121.223 -0.152 0.000 2.731 1239 L HA 0.314 4.650 4.340 -0.006 0.000 0.240 1239 L C 0.144 177.030 176.870 0.025 0.000 1.120 1239 L CA 0.135 54.973 54.840 -0.003 0.000 0.913 1239 L CB 0.098 42.224 42.059 0.111 0.000 1.213 1239 L HN 0.156 nan 8.230 nan 0.000 0.515 1240 F N -3.910 115.849 119.950 -0.320 0.000 2.645 1240 F HA 0.486 5.009 4.527 -0.006 0.000 0.310 1240 F C 0.355 175.794 175.800 -0.602 0.000 1.102 1240 F CA -0.934 56.831 58.000 -0.390 0.000 0.952 1240 F CB 0.824 39.749 39.000 -0.125 0.000 1.326 1240 F HN -0.103 nan 8.300 nan 0.000 0.456 1241 H N 0.148 119.266 119.070 0.079 0.000 3.058 1241 H HA 0.461 5.014 4.556 -0.006 0.000 0.266 1241 H C -0.454 174.844 175.328 -0.050 0.000 1.135 1241 H CA -0.160 55.845 56.048 -0.072 0.000 1.174 1241 H CB 0.806 30.528 29.762 -0.067 0.000 1.581 1241 H HN 0.546 nan 8.280 nan 0.000 0.553 1242 R N 0.269 120.869 120.500 0.167 0.000 2.629 1242 R HA 0.663 5.000 4.340 -0.006 0.000 0.266 1242 R C -1.466 174.983 176.300 0.249 0.000 1.051 1242 R CA -0.564 55.577 56.100 0.068 0.000 0.895 1242 R CB 2.375 32.502 30.300 -0.290 0.000 1.246 1242 R HN 0.130 nan 8.270 nan 0.000 0.459 1243 A N 2.523 125.526 122.820 0.305 0.000 2.454 1243 A HA 0.868 5.184 4.320 -0.006 0.000 0.302 1243 A C -1.141 176.680 177.584 0.396 0.000 1.079 1243 A CA -0.700 51.459 52.037 0.204 0.000 0.731 1243 A CB 1.306 20.212 19.000 -0.157 0.000 1.299 1243 A HN 0.600 nan 8.150 nan 0.000 0.413 1244 I N 1.225 121.975 120.570 0.301 0.000 2.534 1244 I HA 0.286 4.452 4.170 -0.006 0.000 0.286 1244 I C -0.429 175.863 176.117 0.290 0.000 1.094 1244 I CA -0.188 61.261 61.300 0.248 0.000 1.055 1244 I CB 2.354 40.433 38.000 0.132 0.000 1.225 1244 I HN 0.486 nan 8.210 nan 0.000 0.435 1245 S N 5.082 120.934 115.700 0.254 0.000 2.433 1245 S HA 0.403 4.869 4.470 -0.006 0.000 0.310 1245 S C -0.522 174.167 174.600 0.148 0.000 1.097 1245 S CA -0.642 57.665 58.200 0.178 0.000 1.103 1245 S CB 1.108 64.405 63.200 0.161 0.000 0.992 1245 S HN 0.475 nan 8.310 nan 0.000 0.469 1246 E N 1.721 122.050 120.200 0.214 0.000 2.102 1246 E HA 0.385 4.731 4.350 -0.006 0.000 0.263 1246 E C -0.573 176.122 176.600 0.159 0.000 0.894 1246 E CA -0.566 55.995 56.400 0.267 0.000 0.746 1246 E CB 1.143 31.090 29.700 0.412 0.000 1.129 1246 E HN 0.605 nan 8.360 nan 0.000 0.416 1247 S N 1.961 117.732 115.700 0.120 0.000 3.667 1247 S HA -0.103 4.363 4.470 -0.006 0.000 0.405 1247 S C 0.007 174.866 174.600 0.432 0.000 0.913 1247 S CA 0.526 58.836 58.200 0.184 0.000 1.288 1247 S CB -1.092 62.087 63.200 -0.036 0.000 0.905 1247 S HN 0.977 nan 8.310 nan 0.000 0.550 1248 G N -0.920 108.074 108.800 0.322 0.000 2.238 1248 G HA2 0.512 4.468 3.960 -0.006 0.000 0.276 1248 G HA3 0.512 4.468 3.960 -0.006 0.000 0.276 1248 G C -0.889 174.059 174.900 0.079 0.000 1.744 1248 G CA 0.149 45.386 45.100 0.230 0.000 0.912 1248 G HN 1.578 nan 8.290 nan 0.000 0.744 1249 V N -0.872 119.046 119.914 0.008 0.000 3.202 1249 V HA 0.915 5.031 4.120 -0.006 0.000 0.306 1249 V C 1.393 177.448 176.094 -0.065 0.000 1.283 1249 V CA -0.030 62.260 62.300 -0.017 0.000 1.065 1249 V CB 0.988 32.800 31.823 -0.019 0.000 1.079 1249 V HN 2.276 nan 8.190 nan 0.000 0.448 1250 A N -0.233 122.545 122.820 -0.069 0.000 2.076 1250 A HA 0.033 4.349 4.320 -0.006 0.000 0.220 1250 A C 1.568 179.085 177.584 -0.112 0.000 1.160 1250 A CA 2.040 54.017 52.037 -0.100 0.000 0.653 1250 A CB -0.786 18.150 19.000 -0.107 0.000 0.801 1250 A HN 0.872 nan 8.150 nan 0.000 0.455 1251 L N -0.672 120.485 121.223 -0.109 0.000 2.592 1251 L HA 0.048 4.384 4.340 -0.006 0.000 0.227 1251 L C 0.448 177.207 176.870 -0.185 0.000 1.127 1251 L CA 0.032 54.792 54.840 -0.133 0.000 0.884 1251 L CB -0.245 41.750 42.059 -0.106 0.000 1.065 1251 L HN 0.070 nan 8.230 nan 0.000 0.457 1252 T N 0.752 115.189 114.554 -0.194 0.000 4.280 1252 T HA -0.008 4.338 4.350 -0.006 0.000 0.245 1252 T C 1.580 176.127 174.700 -0.256 0.000 1.100 1252 T CA 0.440 62.374 62.100 -0.275 0.000 1.137 1252 T CB 0.093 68.794 68.868 -0.278 0.000 1.296 1252 T HN 0.460 nan 8.240 nan 0.000 0.998 1253 S N 1.742 117.284 115.700 -0.263 0.000 2.421 1253 S HA -0.194 4.272 4.470 -0.006 0.000 0.239 1253 S C 2.148 176.609 174.600 -0.232 0.000 1.054 1253 S CA 1.612 59.663 58.200 -0.248 0.000 1.035 1253 S CB -0.758 62.264 63.200 -0.296 0.000 0.840 1253 S HN 0.493 nan 8.310 nan 0.000 0.475 1254 V N 1.120 120.884 119.914 -0.250 0.000 2.568 1254 V HA -0.019 4.097 4.120 -0.006 0.000 0.253 1254 V C 2.046 178.035 176.094 -0.175 0.000 1.072 1254 V CA 1.983 64.157 62.300 -0.209 0.000 1.084 1254 V CB -0.471 31.226 31.823 -0.210 0.000 0.676 1254 V HN 0.679 nan 8.190 nan 0.000 0.469 1255 L N -0.522 120.593 121.223 -0.180 0.000 2.529 1255 L HA 0.206 4.543 4.340 -0.006 0.000 0.223 1255 L C 0.318 177.090 176.870 -0.163 0.000 1.113 1255 L CA -0.047 54.687 54.840 -0.175 0.000 0.861 1255 L CB 0.491 42.455 42.059 -0.158 0.000 1.012 1255 L HN 0.097 nan 8.230 nan 0.000 0.461 1256 V N 1.141 120.966 119.914 -0.149 0.000 2.384 1256 V HA 0.256 4.373 4.120 -0.006 0.000 0.287 1256 V C -0.043 175.980 176.094 -0.117 0.000 1.020 1256 V CA -0.928 61.297 62.300 -0.124 0.000 0.850 1256 V CB 1.611 33.361 31.823 -0.121 0.000 0.987 1256 V HN 0.036 nan 8.190 nan 0.000 0.436 1257 K N 4.628 124.969 120.400 -0.098 0.000 2.284 1257 K HA 0.367 4.684 4.320 -0.006 0.000 0.287 1257 K C -0.409 176.146 176.600 -0.075 0.000 1.081 1257 K CA -0.609 55.628 56.287 -0.084 0.000 0.910 1257 K CB 1.158 33.613 32.500 -0.075 0.000 1.088 1257 K HN 0.638 nan 8.250 nan 0.000 0.478 1258 K N 0.844 121.200 120.400 -0.072 0.000 2.274 1258 K HA 0.753 5.069 4.320 -0.006 0.000 0.262 1258 K C 0.421 176.995 176.600 -0.044 0.000 0.961 1258 K CA -0.770 55.480 56.287 -0.062 0.000 0.833 1258 K CB 1.657 34.114 32.500 -0.072 0.000 1.102 1258 K HN 0.662 nan 8.250 nan 0.000 0.436 1259 G N 1.172 109.949 108.800 -0.038 0.000 2.306 1259 G HA2 -0.058 3.898 3.960 -0.006 0.000 0.262 1259 G HA3 -0.058 3.898 3.960 -0.006 0.000 0.262 1259 G C -1.729 173.154 174.900 -0.029 0.000 1.263 1259 G CA -0.613 44.471 45.100 -0.025 0.000 1.088 1259 G HN 0.729 nan 8.290 nan 0.000 0.489 1260 D N 0.630 121.018 120.400 -0.021 0.000 2.339 1260 D HA 0.410 5.047 4.640 -0.006 0.000 0.241 1260 D C 1.737 178.018 176.300 -0.032 0.000 1.183 1260 D CA 0.473 54.458 54.000 -0.025 0.000 0.859 1260 D CB 1.241 42.033 40.800 -0.014 0.000 1.067 1260 D HN 1.179 nan 8.370 nan 0.000 0.484 1261 V N 2.141 122.024 119.914 -0.051 0.000 3.541 1261 V HA 0.099 4.215 4.120 -0.006 0.000 0.267 1261 V C 2.014 178.062 176.094 -0.076 0.000 1.213 1261 V CA 0.351 62.611 62.300 -0.067 0.000 1.149 1261 V CB -0.304 31.459 31.823 -0.099 0.000 0.822 1261 V HN 0.245 nan 8.190 nan 0.000 0.462 1262 K N 2.049 122.414 120.400 -0.060 0.000 2.044 1262 K HA -0.056 4.260 4.320 -0.006 0.000 0.210 1262 K C -0.141 176.443 176.600 -0.027 0.000 1.049 1262 K CA 2.339 58.596 56.287 -0.050 0.000 0.927 1262 K CB -1.610 30.875 32.500 -0.025 0.000 0.713 1262 K HN 0.448 nan 8.250 nan 0.000 0.443 1263 P HA -0.149 nan 4.420 nan 0.000 0.216 1263 P C 1.344 178.654 177.300 0.016 0.000 1.150 1263 P CA 0.978 64.080 63.100 0.004 0.000 0.837 1263 P CB 0.056 31.759 31.700 0.005 0.000 0.786 1264 L N -0.955 120.274 121.223 0.010 0.000 2.027 1264 L HA -0.126 4.211 4.340 -0.006 0.000 0.206 1264 L C 2.186 179.094 176.870 0.064 0.000 1.074 1264 L CA 1.632 56.496 54.840 0.042 0.000 0.745 1264 L CB -0.840 41.240 42.059 0.034 0.000 0.898 1264 L HN -0.050 nan 8.230 nan 0.000 0.433 1265 A N -0.253 122.563 122.820 -0.006 0.000 1.948 1265 A HA -0.279 4.037 4.320 -0.006 0.000 0.220 1265 A C 2.028 179.715 177.584 0.170 0.000 1.177 1265 A CA 2.025 54.075 52.037 0.022 0.000 0.636 1265 A CB -0.518 18.346 19.000 -0.227 0.000 0.815 1265 A HN 0.580 nan 8.150 nan 0.000 0.449 1266 E N -0.687 119.563 120.200 0.084 0.000 2.107 1266 E HA -0.179 4.167 4.350 -0.006 0.000 0.191 1266 E C 2.288 178.930 176.600 0.069 0.000 0.982 1266 E CA 1.101 57.546 56.400 0.075 0.000 0.809 1266 E CB -0.156 29.569 29.700 0.041 0.000 0.756 1266 E HN 0.738 nan 8.360 nan 0.000 0.459 1267 Q N 0.213 120.052 119.800 0.065 0.000 2.167 1267 Q HA -0.122 4.214 4.340 -0.006 0.000 0.202 1267 Q C 2.174 178.212 176.000 0.063 0.000 0.970 1267 Q CA 0.902 56.736 55.803 0.050 0.000 0.855 1267 Q CB 0.027 28.791 28.738 0.043 0.000 0.911 1267 Q HN 0.357 nan 8.270 nan 0.000 0.438 1268 I N 0.369 121.012 120.570 0.120 0.000 2.233 1268 I HA -0.214 3.953 4.170 -0.006 0.000 0.243 1268 I C 2.440 178.589 176.117 0.054 0.000 1.093 1268 I CA 0.740 62.116 61.300 0.127 0.000 1.380 1268 I CB -0.401 37.752 38.000 0.255 0.000 1.067 1268 I HN 0.130 nan 8.210 nan 0.000 0.413 1269 A N 1.378 124.242 122.820 0.074 0.000 1.865 1269 A HA -0.214 4.103 4.320 -0.006 0.000 0.217 1269 A C 2.303 179.885 177.584 -0.004 0.000 1.191 1269 A CA 1.706 53.747 52.037 0.007 0.000 0.623 1269 A CB -0.941 18.088 19.000 0.049 0.000 0.826 1269 A HN 0.381 nan 8.150 nan 0.000 0.444 1270 I N -0.462 120.116 120.570 0.013 0.000 2.226 1270 I HA -0.219 3.948 4.170 -0.006 0.000 0.245 1270 I C 2.388 178.500 176.117 -0.009 0.000 1.100 1270 I CA 1.773 63.074 61.300 0.002 0.000 1.374 1270 I CB -0.679 37.325 38.000 0.006 0.000 1.057 1270 I HN 0.260 nan 8.210 nan 0.000 0.413 1271 T N 0.633 115.182 114.554 -0.009 0.000 2.962 1271 T HA -0.054 4.292 4.350 -0.006 0.000 0.270 1271 T C 1.754 176.438 174.700 -0.026 0.000 1.088 1271 T CA 1.228 63.316 62.100 -0.020 0.000 1.127 1271 T CB -0.122 68.729 68.868 -0.027 0.000 0.883 1271 T HN 0.477 nan 8.240 nan 0.000 0.493 1272 A N 0.331 123.131 122.820 -0.032 0.000 2.218 1272 A HA 0.549 4.865 4.320 -0.006 0.000 0.209 1272 A C 1.723 179.283 177.584 -0.039 0.000 1.168 1272 A CA 0.609 52.618 52.037 -0.045 0.000 0.804 1272 A CB -0.371 18.581 19.000 -0.079 0.000 0.834 1272 A HN 0.688 nan 8.150 nan 0.000 0.482 1273 G N -1.595 107.187 108.800 -0.029 0.000 2.203 1273 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.231 1273 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.231 1273 G C -0.035 174.850 174.900 -0.024 0.000 1.058 1273 G CA -0.072 45.014 45.100 -0.023 0.000 0.781 1273 G HN 0.570 nan 8.290 nan 0.000 0.496 1274 c N 0.075 118.660 118.600 -0.025 0.000 2.470 1274 c HA 0.746 5.312 4.570 -0.006 0.000 0.341 1274 c C 0.957 175.043 174.090 -0.006 0.000 1.190 1274 c CA -0.885 55.431 56.329 -0.022 0.000 1.904 1274 c CB 1.510 43.997 42.510 -0.038 0.000 2.354 1274 c HN 0.581 nan 8.230 nan 0.000 0.509 1275 K N 0.427 120.828 120.400 0.002 0.000 2.102 1275 K HA 0.444 4.760 4.320 -0.006 0.000 0.244 1275 K C 0.460 177.068 176.600 0.014 0.000 1.021 1275 K CA 0.035 56.327 56.287 0.008 0.000 0.913 1275 K CB 0.372 32.880 32.500 0.012 0.000 1.062 1275 K HN 0.843 nan 8.250 nan 0.000 0.485 1276 T N -3.296 111.267 114.554 0.015 0.000 3.393 1276 T HA 0.071 4.418 4.350 -0.006 0.000 0.298 1276 T C 0.918 175.627 174.700 0.016 0.000 1.004 1276 T CA -0.490 61.623 62.100 0.022 0.000 0.956 1276 T CB -0.053 68.829 68.868 0.024 0.000 1.182 1276 T HN 0.447 nan 8.240 nan 0.000 0.497 1277 T N 2.712 117.271 114.554 0.009 0.000 2.699 1277 T HA -0.034 4.313 4.350 -0.006 0.000 0.268 1277 T C 1.198 175.897 174.700 -0.000 0.000 1.036 1277 T CA 2.004 64.106 62.100 0.003 0.000 1.147 1277 T CB -0.438 68.429 68.868 -0.003 0.000 0.862 1277 T HN 0.888 nan 8.240 nan 0.000 0.446 1278 T N -2.752 111.799 114.554 -0.004 0.000 2.762 1278 T HA 0.489 4.836 4.350 -0.006 0.000 0.301 1278 T C 0.889 175.585 174.700 -0.007 0.000 1.299 1278 T CA -0.357 61.735 62.100 -0.013 0.000 1.005 1278 T CB 1.540 70.379 68.868 -0.048 0.000 1.377 1278 T HN -0.180 nan 8.240 nan 0.000 0.504 1279 S N 0.335 116.033 115.700 -0.003 0.000 2.345 1279 S HA 0.008 4.475 4.470 -0.006 0.000 0.220 1279 S C 2.543 177.135 174.600 -0.014 0.000 1.031 1279 S CA 1.388 59.612 58.200 0.039 0.000 0.996 1279 S CB -1.076 62.205 63.200 0.136 0.000 0.882 1279 S HN 0.969 nan 8.310 nan 0.000 0.445 1280 A N 1.150 123.817 122.820 -0.255 0.000 1.917 1280 A HA -0.120 4.196 4.320 -0.006 0.000 0.219 1280 A C 2.344 179.894 177.584 -0.057 0.000 1.182 1280 A CA 1.827 53.689 52.037 -0.292 0.000 0.633 1280 A CB -1.047 17.607 19.000 -0.578 0.000 0.819 1280 A HN 0.349 nan 8.150 nan 0.000 0.448 1281 V N -0.276 119.610 119.914 -0.047 0.000 2.358 1281 V HA -0.308 3.808 4.120 -0.006 0.000 0.246 1281 V C 2.638 178.769 176.094 0.061 0.000 1.047 1281 V CA 2.181 64.496 62.300 0.025 0.000 1.035 1281 V CB -0.629 31.196 31.823 0.003 0.000 0.658 1281 V HN 0.584 nan 8.190 nan 0.000 0.452 1282 M N -0.698 118.931 119.600 0.048 0.000 2.065 1282 M HA -0.176 4.300 4.480 -0.006 0.000 0.259 1282 M C 2.241 178.548 176.300 0.012 0.000 1.069 1282 M CA 1.825 57.155 55.300 0.051 0.000 1.110 1282 M CB -0.569 32.105 32.600 0.123 0.000 1.328 1282 M HN 0.244 nan 8.290 nan 0.000 0.405 1283 V N -0.454 119.501 119.914 0.068 0.000 2.332 1283 V HA -0.313 3.803 4.120 -0.006 0.000 0.248 1283 V C 2.279 178.413 176.094 0.066 0.000 1.055 1283 V CA 2.451 64.772 62.300 0.036 0.000 1.038 1283 V CB -1.163 30.748 31.823 0.146 0.000 0.651 1283 V HN 0.507 nan 8.190 nan 0.000 0.450 1284 H N -0.771 118.305 119.070 0.010 0.000 2.353 1284 H HA -0.205 4.347 4.556 -0.006 0.000 0.300 1284 H C 2.330 177.658 175.328 -0.000 0.000 1.090 1284 H CA 2.221 58.276 56.048 0.011 0.000 1.327 1284 H CB -0.558 29.201 29.762 -0.006 0.000 1.383 1284 H HN 0.476 nan 8.280 nan 0.000 0.508 1285 c N -0.288 118.261 118.600 -0.085 0.000 2.446 1285 c HA -0.011 4.555 4.570 -0.006 0.000 0.277 1285 c C 2.750 176.755 174.090 -0.142 0.000 1.275 1285 c CA 0.764 57.011 56.329 -0.137 0.000 1.727 1285 c CB -1.397 41.085 42.510 -0.048 0.000 2.010 1285 c HN 0.654 nan 8.230 nan 0.000 0.486 1286 L N 0.424 121.568 121.223 -0.132 0.000 2.131 1286 L HA -0.073 4.264 4.340 -0.006 0.000 0.210 1286 L C 2.950 179.825 176.870 0.008 0.000 1.092 1286 L CA 1.269 56.034 54.840 -0.124 0.000 0.759 1286 L CB -0.629 41.226 42.059 -0.340 0.000 0.903 1286 L HN 0.335 nan 8.230 nan 0.000 0.435 1287 R N -0.213 120.305 120.500 0.030 0.000 2.237 1287 R HA -0.119 4.217 4.340 -0.006 0.000 0.219 1287 R C 1.667 177.903 176.300 -0.105 0.000 1.080 1287 R CA 0.834 56.928 56.100 -0.010 0.000 0.995 1287 R CB -0.068 30.234 30.300 0.003 0.000 0.875 1287 R HN 0.553 nan 8.270 nan 0.000 0.462 1288 Q N -0.124 119.586 119.800 -0.150 0.000 2.319 1288 Q HA 0.088 4.424 4.340 -0.006 0.000 0.202 1288 Q C -0.076 175.870 176.000 -0.089 0.000 0.896 1288 Q CA 0.102 55.821 55.803 -0.139 0.000 0.942 1288 Q CB 0.638 29.256 28.738 -0.201 0.000 1.083 1288 Q HN -0.041 nan 8.270 nan 0.000 0.510 1289 K N 1.971 122.324 120.400 -0.079 0.000 2.202 1289 K HA 0.129 4.446 4.320 -0.006 0.000 0.264 1289 K C 0.497 177.082 176.600 -0.025 0.000 1.010 1289 K CA 0.097 56.352 56.287 -0.054 0.000 0.940 1289 K CB 0.872 33.332 32.500 -0.066 0.000 0.983 1289 K HN 0.112 nan 8.250 nan 0.000 0.475 1290 T N -2.674 111.879 114.554 -0.001 0.000 2.874 1290 T HA 0.088 4.435 4.350 -0.006 0.000 0.281 1290 T C 1.295 176.048 174.700 0.088 0.000 0.994 1290 T CA -0.567 61.549 62.100 0.028 0.000 1.015 1290 T CB 1.187 70.067 68.868 0.019 0.000 1.028 1290 T HN 0.636 nan 8.240 nan 0.000 0.523 1291 E N 0.464 120.738 120.200 0.125 0.000 2.085 1291 E HA -0.227 4.119 4.350 -0.006 0.000 0.194 1291 E C 1.769 178.503 176.600 0.223 0.000 0.994 1291 E CA 1.491 58.035 56.400 0.240 0.000 0.801 1291 E CB -0.080 29.685 29.700 0.109 0.000 0.743 1291 E HN 0.797 nan 8.360 nan 0.000 0.453 1292 E N 0.384 120.651 120.200 0.113 0.000 2.110 1292 E HA -0.194 4.152 4.350 -0.006 0.000 0.193 1292 E C 2.091 178.747 176.600 0.094 0.000 0.988 1292 E CA 1.106 57.560 56.400 0.091 0.000 0.804 1292 E CB -0.089 29.639 29.700 0.046 0.000 0.745 1292 E HN 0.457 nan 8.360 nan 0.000 0.458 1293 E N 0.842 121.085 120.200 0.071 0.000 2.072 1293 E HA -0.129 4.217 4.350 -0.006 0.000 0.191 1293 E C 2.259 178.883 176.600 0.041 0.000 0.985 1293 E CA 0.695 57.120 56.400 0.040 0.000 0.801 1293 E CB -0.066 29.640 29.700 0.011 0.000 0.750 1293 E HN 0.224 nan 8.360 nan 0.000 0.452 1294 L N 0.677 121.936 121.223 0.061 0.000 2.217 1294 L HA -0.133 4.203 4.340 -0.006 0.000 0.211 1294 L C 2.442 179.367 176.870 0.092 0.000 1.107 1294 L CA 0.104 54.920 54.840 -0.039 0.000 0.783 1294 L CB -0.166 41.744 42.059 -0.248 0.000 0.919 1294 L HN 0.180 nan 8.230 nan 0.000 0.442 1295 L N -0.039 121.358 121.223 0.290 0.000 2.056 1295 L HA -0.160 4.176 4.340 -0.006 0.000 0.207 1295 L C 2.335 179.309 176.870 0.173 0.000 1.078 1295 L CA 1.752 56.792 54.840 0.334 0.000 0.749 1295 L CB -0.478 41.737 42.059 0.259 0.000 0.901 1295 L HN 0.192 nan 8.230 nan 0.000 0.433 1296 E N -1.022 119.241 120.200 0.105 0.000 2.110 1296 E HA -0.193 4.154 4.350 -0.006 0.000 0.193 1296 E C 1.887 178.511 176.600 0.040 0.000 0.988 1296 E CA 1.726 58.161 56.400 0.058 0.000 0.804 1296 E CB -0.245 29.475 29.700 0.033 0.000 0.745 1296 E HN 0.547 nan 8.360 nan 0.000 0.458 1297 T N 0.654 115.227 114.554 0.032 0.000 2.720 1297 T HA -0.149 4.197 4.350 -0.006 0.000 0.268 1297 T C 2.026 176.744 174.700 0.031 0.000 1.037 1297 T CA 1.673 63.777 62.100 0.007 0.000 1.144 1297 T CB -0.431 68.424 68.868 -0.020 0.000 0.864 1297 T HN 0.177 nan 8.240 nan 0.000 0.444 1298 T N 2.377 116.999 114.554 0.114 0.000 2.652 1298 T HA -0.053 4.293 4.350 -0.006 0.000 0.267 1298 T C 1.880 176.649 174.700 0.115 0.000 1.039 1298 T CA 0.870 63.118 62.100 0.247 0.000 1.153 1298 T CB -0.455 68.621 68.868 0.348 0.000 0.863 1298 T HN 0.072 nan 8.240 nan 0.000 0.428 1299 L N 1.091 122.365 121.223 0.085 0.000 2.042 1299 L HA -0.040 4.296 4.340 -0.006 0.000 0.210 1299 L C 2.359 179.197 176.870 -0.053 0.000 1.076 1299 L CA 1.685 56.542 54.840 0.029 0.000 0.749 1299 L CB -0.711 41.370 42.059 0.038 0.000 0.893 1299 L HN 0.215 nan 8.230 nan 0.000 0.432 1300 K N -1.365 118.995 120.400 -0.065 0.000 2.147 1300 K HA -0.124 4.192 4.320 -0.006 0.000 0.205 1300 K C 1.912 178.398 176.600 -0.189 0.000 1.049 1300 K CA 0.980 57.209 56.287 -0.098 0.000 0.936 1300 K CB -0.162 32.296 32.500 -0.071 0.000 0.722 1300 K HN 0.224 nan 8.250 nan 0.000 0.446 1301 M N 0.865 120.268 119.600 -0.328 0.000 2.460 1301 M HA -0.062 4.414 4.480 -0.006 0.000 0.263 1301 M C 0.044 175.958 176.300 -0.643 0.000 1.071 1301 M CA 1.022 55.952 55.300 -0.617 0.000 1.096 1301 M CB -0.597 31.263 32.600 -1.234 0.000 1.408 1301 M HN 0.063 nan 8.290 nan 0.000 0.463 1302 K N 0.839 120.995 120.400 -0.406 0.000 3.451 1302 K HA -0.184 4.132 4.320 -0.006 0.000 0.273 1302 K C -0.610 175.899 176.600 -0.153 0.000 0.944 1302 K CA 0.180 56.342 56.287 -0.208 0.000 0.734 1302 K CB -1.953 30.468 32.500 -0.131 0.000 1.437 1302 K HN 0.198 nan 8.250 nan 0.000 0.454 1303 F N 0.409 120.375 119.950 0.026 0.000 2.399 1303 F HA 0.173 4.696 4.527 -0.008 0.000 0.313 1303 F C 1.999 177.813 175.800 0.023 0.000 1.202 1303 F CA -0.532 57.484 58.000 0.027 0.000 1.192 1303 F CB 0.402 39.428 39.000 0.042 0.000 1.256 1303 F HN 0.114 nan 8.300 nan 0.000 0.558 1304 L N 1.089 122.455 121.223 0.239 0.000 3.678 1304 L HA -0.270 4.067 4.340 -0.006 0.000 0.425 1304 L C -0.314 176.616 176.870 0.100 0.000 1.240 1304 L CA 0.392 55.312 54.840 0.133 0.000 0.876 1304 L CB -1.710 40.413 42.059 0.107 0.000 1.766 1304 L HN 0.607 nan 8.230 nan 0.000 0.917 1305 S N -0.128 115.628 115.700 0.094 0.000 2.535 1305 S HA 0.642 5.108 4.470 -0.006 0.000 0.272 1305 S C -0.901 173.728 174.600 0.049 0.000 1.149 1305 S CA -0.810 57.428 58.200 0.064 0.000 0.888 1305 S CB 1.899 65.118 63.200 0.033 0.000 1.110 1305 S HN 0.231 nan 8.310 nan 0.000 0.463 1306 L N 3.767 125.011 121.223 0.034 0.000 2.265 1306 L HA 0.557 4.893 4.340 -0.006 0.000 0.288 1306 L C -0.422 176.412 176.870 -0.061 0.000 1.058 1306 L CA 0.018 54.844 54.840 -0.022 0.000 0.809 1306 L CB 0.964 42.957 42.059 -0.110 0.000 1.179 1306 L HN 0.754 nan 8.230 nan 0.000 0.429 1307 D N 3.616 123.980 120.400 -0.060 0.000 2.316 1307 D HA 0.155 4.792 4.640 -0.006 0.000 0.245 1307 D C 1.001 177.252 176.300 -0.083 0.000 1.171 1307 D CA -0.003 53.958 54.000 -0.065 0.000 0.856 1307 D CB 0.848 41.612 40.800 -0.060 0.000 1.090 1307 D HN 0.577 nan 8.370 nan 0.000 0.476 1308 L N 2.480 123.659 121.223 -0.074 0.000 2.109 1308 L HA -0.065 4.271 4.340 -0.006 0.000 0.207 1308 L C 1.482 178.320 176.870 -0.053 0.000 1.086 1308 L CA 0.695 55.493 54.840 -0.070 0.000 0.760 1308 L CB -0.595 41.430 42.059 -0.056 0.000 0.910 1308 L HN 0.561 nan 8.230 nan 0.000 0.437 1309 Q N 0.360 120.133 119.800 -0.045 0.000 2.194 1309 Q HA 0.557 4.893 4.340 -0.006 0.000 0.245 1309 Q C 0.346 176.323 176.000 -0.039 0.000 0.993 1309 Q CA 0.072 55.857 55.803 -0.031 0.000 0.930 1309 Q CB 1.646 30.372 28.738 -0.020 0.000 1.238 1309 Q HN 0.141 nan 8.270 nan 0.000 0.486 1310 G N 0.719 109.507 108.800 -0.021 0.000 2.693 1310 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.226 1310 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.226 1310 G C -1.087 173.791 174.900 -0.037 0.000 1.354 1310 G CA -0.066 45.020 45.100 -0.023 0.000 0.873 1310 G HN 0.863 nan 8.290 nan 0.000 0.562 1311 D N 0.847 121.222 120.400 -0.043 0.000 2.316 1311 D HA 0.397 5.034 4.640 -0.006 0.000 0.245 1311 D C -0.915 175.275 176.300 -0.184 0.000 1.171 1311 D CA -1.464 52.493 54.000 -0.071 0.000 0.856 1311 D CB 1.340 42.124 40.800 -0.026 0.000 1.090 1311 D HN 0.002 nan 8.370 nan 0.000 0.476 1312 P HA -0.070 nan 4.420 nan 0.000 0.217 1312 P C 1.060 178.147 177.300 -0.356 0.000 1.150 1312 P CA 0.937 63.747 63.100 -0.483 0.000 0.832 1312 P CB 0.259 31.352 31.700 -1.013 0.000 0.787 1313 R N -0.184 120.026 120.500 -0.484 0.000 2.241 1313 R HA -0.095 4.242 4.340 -0.006 0.000 0.224 1313 R C 1.679 177.935 176.300 -0.075 0.000 1.101 1313 R CA 1.007 56.894 56.100 -0.355 0.000 0.995 1313 R CB -0.416 29.652 30.300 -0.387 0.000 0.870 1313 R HN 0.429 nan 8.270 nan 0.000 0.463 1314 E N 0.186 120.339 120.200 -0.078 0.000 2.431 1314 E HA 0.016 4.362 4.350 -0.006 0.000 0.200 1314 E C -0.061 176.531 176.600 -0.013 0.000 0.995 1314 E CA 0.028 56.411 56.400 -0.028 0.000 0.915 1314 E CB 0.570 30.251 29.700 -0.032 0.000 0.930 1314 E HN 0.163 nan 8.360 nan 0.000 0.496 1315 S N 1.297 116.980 115.700 -0.028 0.000 2.516 1315 S HA 0.159 4.625 4.470 -0.006 0.000 0.282 1315 S C -0.004 174.612 174.600 0.026 0.000 1.286 1315 S CA -0.542 57.649 58.200 -0.014 0.000 1.066 1315 S CB 1.138 64.315 63.200 -0.038 0.000 0.884 1315 S HN -0.036 nan 8.310 nan 0.000 0.491 1316 Q N 3.465 123.294 119.800 0.050 0.000 2.398 1316 Q HA 0.349 4.686 4.340 -0.006 0.000 0.251 1316 Q C -1.368 174.738 176.000 0.176 0.000 0.999 1316 Q CA -2.274 53.593 55.803 0.107 0.000 0.874 1316 Q CB 1.373 30.201 28.738 0.150 0.000 1.215 1316 Q HN 0.544 nan 8.270 nan 0.000 0.470 1317 P HA -0.095 nan 4.420 nan 0.000 0.218 1317 P C -0.453 176.987 177.300 0.233 0.000 1.149 1317 P CA 0.868 64.059 63.100 0.152 0.000 0.817 1317 P CB 0.348 32.084 31.700 0.060 0.000 0.785 1318 L N -5.183 116.115 121.223 0.125 0.000 3.079 1318 L HA 0.433 4.770 4.340 -0.006 0.000 0.278 1318 L C -1.421 175.310 176.870 -0.232 0.000 1.026 1318 L CA -1.314 53.434 54.840 -0.153 0.000 0.963 1318 L CB 0.275 42.231 42.059 -0.171 0.000 1.526 1318 L HN -0.349 nan 8.230 nan 0.000 0.397 1319 L N 0.943 121.921 121.223 -0.407 0.000 2.264 1319 L HA 0.871 5.207 4.340 -0.006 0.000 0.289 1319 L C 0.612 177.309 176.870 -0.288 0.000 1.044 1319 L CA 0.078 54.785 54.840 -0.223 0.000 0.807 1319 L CB 0.896 42.876 42.059 -0.132 0.000 1.192 1319 L HN 0.997 nan 8.230 nan 0.000 0.425 1320 G N 1.592 110.237 108.800 -0.257 0.000 3.262 1320 G HA2 0.441 4.397 3.960 -0.006 0.000 0.229 1320 G HA3 0.441 4.397 3.960 -0.006 0.000 0.229 1320 G C -0.662 174.079 174.900 -0.265 0.000 1.280 1320 G CA -0.399 44.437 45.100 -0.440 0.000 0.951 1320 G HN 0.367 nan 8.290 nan 0.000 0.589 1321 T N 0.343 114.784 114.554 -0.188 0.000 2.926 1321 T HA 0.432 4.778 4.350 -0.006 0.000 0.307 1321 T C 0.435 175.135 174.700 0.001 0.000 1.059 1321 T CA 0.338 62.475 62.100 0.063 0.000 1.122 1321 T CB 1.009 69.952 68.868 0.125 0.000 0.972 1321 T HN 1.130 nan 8.240 nan 0.000 0.545 1322 V N -0.162 119.759 119.914 0.013 0.000 3.158 1322 V HA 0.638 4.754 4.120 -0.006 0.000 0.311 1322 V C -0.880 175.180 176.094 -0.056 0.000 1.181 1322 V CA -1.348 60.925 62.300 -0.045 0.000 1.054 1322 V CB 1.854 33.633 31.823 -0.072 0.000 1.085 1322 V HN 0.592 nan 8.190 nan 0.000 0.446 1323 I N 3.412 123.942 120.570 -0.066 0.000 2.269 1323 I HA 0.336 4.502 4.170 -0.006 0.000 0.293 1323 I C 0.592 176.666 176.117 -0.072 0.000 1.106 1323 I CA 0.028 61.288 61.300 -0.065 0.000 1.248 1323 I CB 0.211 38.177 38.000 -0.057 0.000 1.444 1323 I HN 0.986 nan 8.210 nan 0.000 0.497 1324 D N 3.653 124.004 120.400 -0.083 0.000 2.366 1324 D HA 0.078 4.714 4.640 -0.006 0.000 0.205 1324 D C 1.369 177.627 176.300 -0.070 0.000 1.022 1324 D CA 0.929 54.872 54.000 -0.096 0.000 0.868 1324 D CB 0.681 41.394 40.800 -0.145 0.000 0.953 1324 D HN 0.669 nan 8.370 nan 0.000 0.514 1325 G N 0.100 108.866 108.800 -0.057 0.000 2.213 1325 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.236 1325 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.236 1325 G C 0.976 175.856 174.900 -0.033 0.000 0.991 1325 G CA 0.591 45.667 45.100 -0.040 0.000 0.629 1325 G HN 0.229 nan 8.290 nan 0.000 0.517 1326 M N -1.010 118.565 119.600 -0.041 0.000 2.969 1326 M HA 0.452 4.928 4.480 -0.006 0.000 0.234 1326 M C 2.338 178.619 176.300 -0.032 0.000 1.409 1326 M CA 1.154 56.438 55.300 -0.027 0.000 1.314 1326 M CB -1.294 31.294 32.600 -0.020 0.000 1.130 1326 M HN 0.232 nan 8.290 nan 0.000 0.558 1327 L N 0.568 121.763 121.223 -0.047 0.000 2.072 1327 L HA 0.150 4.486 4.340 -0.006 0.000 0.205 1327 L C 0.303 177.131 176.870 -0.070 0.000 1.079 1327 L CA 1.323 56.130 54.840 -0.055 0.000 0.752 1327 L CB 0.225 42.248 42.059 -0.060 0.000 0.906 1327 L HN 0.121 nan 8.230 nan 0.000 0.436 1328 L N -0.180 121.000 121.223 -0.071 0.000 2.376 1328 L HA 0.249 4.586 4.340 -0.006 0.000 0.275 1328 L C 0.315 177.153 176.870 -0.052 0.000 0.987 1328 L CA -0.400 54.398 54.840 -0.070 0.000 0.828 1328 L CB 1.955 43.962 42.059 -0.086 0.000 1.249 1328 L HN 0.074 nan 8.230 nan 0.000 0.409 1329 L N 2.044 123.244 121.223 -0.038 0.000 2.375 1329 L HA 0.159 4.495 4.340 -0.006 0.000 0.215 1329 L C 0.539 177.393 176.870 -0.026 0.000 1.108 1329 L CA 0.841 55.665 54.840 -0.027 0.000 0.830 1329 L CB -0.170 41.881 42.059 -0.014 0.000 0.959 1329 L HN 0.604 nan 8.230 nan 0.000 0.457 1330 K N -1.085 119.298 120.400 -0.030 0.000 2.367 1330 K HA 0.385 4.701 4.320 -0.006 0.000 0.272 1330 K C -0.515 176.061 176.600 -0.040 0.000 1.046 1330 K CA -0.726 55.544 56.287 -0.028 0.000 0.895 1330 K CB 0.923 33.416 32.500 -0.013 0.000 1.512 1330 K HN -0.179 nan 8.250 nan 0.000 0.433 1331 T N -1.488 113.042 114.554 -0.040 0.000 2.898 1331 T HA 0.112 4.458 4.350 -0.006 0.000 0.301 1331 T C -2.018 172.650 174.700 -0.053 0.000 1.049 1331 T CA -1.162 60.907 62.100 -0.052 0.000 1.095 1331 T CB 0.681 69.519 68.868 -0.050 0.000 0.976 1331 T HN 0.155 nan 8.240 nan 0.000 0.539 1332 P HA -0.111 nan 4.420 nan 0.000 0.216 1332 P C 1.315 178.585 177.300 -0.049 0.000 1.153 1332 P CA 1.132 64.185 63.100 -0.077 0.000 0.858 1332 P CB 0.015 31.659 31.700 -0.094 0.000 0.789 1333 E N -0.348 119.826 120.200 -0.044 0.000 2.171 1333 E HA -0.207 4.139 4.350 -0.006 0.000 0.197 1333 E C 1.870 178.471 176.600 0.002 0.000 0.997 1333 E CA 1.296 57.682 56.400 -0.022 0.000 0.810 1333 E CB -0.606 29.074 29.700 -0.033 0.000 0.738 1333 E HN 0.474 nan 8.360 nan 0.000 0.467 1334 E N 0.002 120.200 120.200 -0.002 0.000 2.086 1334 E HA -0.020 4.326 4.350 -0.006 0.000 0.190 1334 E C 2.085 178.710 176.600 0.040 0.000 0.975 1334 E CA 0.421 56.830 56.400 0.016 0.000 0.813 1334 E CB -0.065 29.638 29.700 0.005 0.000 0.768 1334 E HN 0.207 nan 8.360 nan 0.000 0.457 1335 L N 1.188 122.427 121.223 0.027 0.000 2.127 1335 L HA -0.242 4.094 4.340 -0.006 0.000 0.211 1335 L C 2.474 179.433 176.870 0.148 0.000 1.089 1335 L CA 1.230 56.106 54.840 0.060 0.000 0.757 1335 L CB -0.401 41.648 42.059 -0.017 0.000 0.899 1335 L HN 0.187 nan 8.230 nan 0.000 0.434 1336 Q N -0.178 119.686 119.800 0.107 0.000 2.016 1336 Q HA -0.143 4.193 4.340 -0.006 0.000 0.200 1336 Q C 2.455 178.612 176.000 0.260 0.000 0.978 1336 Q CA 1.527 57.458 55.803 0.213 0.000 0.833 1336 Q CB -0.282 28.527 28.738 0.119 0.000 0.895 1336 Q HN 0.539 nan 8.270 nan 0.000 0.427 1337 A N 1.017 123.924 122.820 0.145 0.000 2.070 1337 A HA -0.219 4.097 4.320 -0.006 0.000 0.220 1337 A C 1.755 179.396 177.584 0.094 0.000 1.159 1337 A CA 1.268 53.367 52.037 0.104 0.000 0.656 1337 A CB -0.382 18.657 19.000 0.066 0.000 0.800 1337 A HN 0.361 nan 8.150 nan 0.000 0.453 1338 E N -0.625 119.651 120.200 0.127 0.000 2.338 1338 E HA -0.141 4.205 4.350 -0.006 0.000 0.197 1338 E C 0.216 176.839 176.600 0.039 0.000 1.007 1338 E CA 0.186 56.642 56.400 0.093 0.000 0.849 1338 E CB 0.003 29.777 29.700 0.123 0.000 0.774 1338 E HN 0.375 nan 8.360 nan 0.000 0.506 1339 R N -0.114 120.398 120.500 0.020 0.000 3.847 1339 R HA -0.237 4.100 4.340 -0.006 0.000 0.304 1339 R C -0.627 175.493 176.300 -0.300 0.000 1.203 1339 R CA 1.041 57.015 56.100 -0.209 0.000 0.835 1339 R CB -2.814 27.408 30.300 -0.129 0.000 1.253 1339 R HN 0.174 nan 8.270 nan 0.000 0.516 1340 N N 0.473 119.089 118.700 -0.140 0.000 2.706 1340 N HA 0.425 5.161 4.740 -0.006 0.000 0.240 1340 N C -1.293 174.303 175.510 0.144 0.000 1.039 1340 N CA -0.621 52.401 53.050 -0.047 0.000 0.888 1340 N CB 0.474 38.986 38.487 0.043 0.000 1.128 1340 N HN 0.206 nan 8.380 nan 0.000 0.512 1341 F N -0.600 119.373 119.950 0.038 0.000 2.689 1341 F HA 0.203 4.726 4.527 -0.006 0.000 0.314 1341 F C -0.913 174.964 175.800 0.128 0.000 1.061 1341 F CA -1.429 56.622 58.000 0.085 0.000 1.013 1341 F CB -0.256 38.807 39.000 0.105 0.000 1.256 1341 F HN 0.316 nan 8.300 nan 0.000 0.480 1342 H N 0.557 119.704 119.070 0.128 0.000 3.187 1342 H HA 0.450 5.002 4.556 -0.006 0.000 0.286 1342 H C -0.047 175.342 175.328 0.101 0.000 0.944 1342 H CA 0.128 56.186 56.048 0.017 0.000 1.429 1342 H CB 0.500 30.225 29.762 -0.060 0.000 1.483 1342 H HN 0.803 nan 8.280 nan 0.000 0.555 1343 T N 2.514 117.023 114.554 -0.076 0.000 2.856 1343 T HA 0.461 4.808 4.350 -0.006 0.000 0.292 1343 T C 0.354 174.989 174.700 -0.108 0.000 0.980 1343 T CA -0.400 61.663 62.100 -0.061 0.000 1.091 1343 T CB 1.355 70.125 68.868 -0.163 0.000 0.936 1343 T HN 0.752 nan 8.240 nan 0.000 0.503 1344 V N -0.850 119.076 119.914 0.020 0.000 3.114 1344 V HA 0.723 4.840 4.120 -0.006 0.000 0.308 1344 V C -3.226 173.015 176.094 0.245 0.000 1.168 1344 V CA -3.339 58.961 62.300 0.001 0.000 1.015 1344 V CB 1.538 33.254 31.823 -0.180 0.000 1.050 1344 V HN 0.613 nan 8.190 nan 0.000 0.433 1345 P HA 0.171 nan 4.420 nan 0.000 0.265 1345 P C -1.466 176.143 177.300 0.514 0.000 1.193 1345 P CA 0.609 63.917 63.100 0.347 0.000 0.765 1345 P CB -0.086 31.683 31.700 0.116 0.000 0.823 1346 Y N 3.388 123.878 120.300 0.317 0.000 2.373 1346 Y HA 0.527 5.074 4.550 -0.006 0.000 0.336 1346 Y C -0.777 175.101 175.900 -0.036 0.000 0.979 1346 Y CA -1.502 56.623 58.100 0.041 0.000 1.080 1346 Y CB 1.540 39.638 38.460 -0.603 0.000 1.190 1346 Y HN 0.210 nan 8.280 nan 0.000 0.446 1347 M N 7.875 127.433 119.600 -0.069 0.000 2.167 1347 M HA 0.554 5.031 4.480 -0.006 0.000 0.333 1347 M C -2.178 173.859 176.300 -0.438 0.000 1.030 1347 M CA -0.713 54.309 55.300 -0.464 0.000 0.963 1347 M CB 0.928 32.935 32.600 -0.988 0.000 1.589 1347 M HN 0.436 nan 8.290 nan 0.000 0.431 1348 V N 4.609 124.221 119.914 -0.502 0.000 2.444 1348 V HA 0.890 5.006 4.120 -0.006 0.000 0.294 1348 V C 0.251 176.028 176.094 -0.529 0.000 1.022 1348 V CA -0.564 61.427 62.300 -0.515 0.000 0.850 1348 V CB 1.356 32.789 31.823 -0.649 0.000 0.992 1348 V HN 1.001 nan 8.190 nan 0.000 0.426 1349 G N 3.977 112.372 108.800 -0.676 0.000 2.680 1349 G HA2 0.914 4.870 3.960 -0.006 0.000 0.290 1349 G HA3 0.914 4.870 3.960 -0.006 0.000 0.290 1349 G C -1.225 173.290 174.900 -0.643 0.000 1.355 1349 G CA -0.674 43.612 45.100 -1.356 0.000 0.903 1349 G HN 0.940 nan 8.290 nan 0.000 0.474 1350 I N -2.718 117.598 120.570 -0.423 0.000 3.191 1350 I HA 0.575 4.741 4.170 -0.006 0.000 0.313 1350 I C -1.223 174.991 176.117 0.161 0.000 1.193 1350 I CA -1.369 59.903 61.300 -0.047 0.000 0.968 1350 I CB 2.356 40.339 38.000 -0.029 0.000 1.262 1350 I HN 0.445 nan 8.210 nan 0.000 0.456 1351 N N 1.346 120.143 118.700 0.161 0.000 2.466 1351 N HA 0.244 4.981 4.740 -0.006 0.000 0.294 1351 N C 0.045 175.658 175.510 0.171 0.000 1.129 1351 N CA -0.807 52.396 53.050 0.254 0.000 0.931 1351 N CB 1.959 40.593 38.487 0.245 0.000 1.193 1351 N HN 0.511 nan 8.380 nan 0.000 0.500 1352 K N 0.704 121.209 120.400 0.175 0.000 2.152 1352 K HA -0.125 4.192 4.320 -0.006 0.000 0.206 1352 K C -0.005 176.671 176.600 0.127 0.000 1.048 1352 K CA 1.764 58.129 56.287 0.130 0.000 0.933 1352 K CB 0.151 32.712 32.500 0.101 0.000 0.721 1352 K HN 0.535 nan 8.250 nan 0.000 0.447 1353 Q N -0.133 119.749 119.800 0.137 0.000 3.230 1353 Q HA 0.101 4.438 4.340 -0.006 0.000 0.303 1353 Q C -0.291 175.799 176.000 0.149 0.000 0.884 1353 Q CA -0.291 55.598 55.803 0.144 0.000 0.859 1353 Q CB 1.356 30.178 28.738 0.140 0.000 1.432 1353 Q HN 0.095 nan 8.270 nan 0.000 0.403 1354 E N 0.236 120.500 120.200 0.108 0.000 2.130 1354 E HA -0.188 4.159 4.350 -0.006 0.000 0.196 1354 E C 0.578 177.264 176.600 0.142 0.000 0.998 1354 E CA 1.351 57.760 56.400 0.015 0.000 0.806 1354 E CB 0.133 29.652 29.700 -0.302 0.000 0.738 1354 E HN 0.479 nan 8.360 nan 0.000 0.459 1355 F N 0.424 120.378 119.950 0.005 0.000 2.668 1355 F HA 0.236 4.760 4.527 -0.006 0.000 0.297 1355 F C 1.775 177.588 175.800 0.023 0.000 1.124 1355 F CA -0.261 57.728 58.000 -0.019 0.000 1.353 1355 F CB 0.422 39.384 39.000 -0.063 0.000 0.992 1355 F HN -0.040 nan 8.300 nan 0.000 0.524 1356 G N 0.553 109.429 108.800 0.126 0.000 2.459 1356 G HA2 -0.323 3.634 3.960 -0.006 0.000 0.217 1356 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.217 1356 G C 1.071 176.068 174.900 0.160 0.000 1.183 1356 G CA 1.596 46.783 45.100 0.145 0.000 0.776 1356 G HN 0.638 nan 8.290 nan 0.000 0.552 1357 W N -1.303 119.948 121.300 -0.081 0.000 5.194 1357 W HA 0.329 4.986 4.660 -0.005 0.000 0.169 1357 W C 1.918 178.370 176.519 -0.112 0.000 1.110 1357 W CA 0.113 57.404 57.345 -0.090 0.000 1.861 1357 W CB -0.536 28.915 29.460 -0.016 0.000 0.573 1357 W HN 0.035 nan 8.180 nan 0.000 1.069 1358 L N 1.637 122.791 121.223 -0.115 0.000 1.990 1358 L HA -0.220 4.116 4.340 -0.006 0.000 0.213 1358 L C 2.179 178.765 176.870 -0.473 0.000 1.072 1358 L CA 2.772 57.358 54.840 -0.424 0.000 0.755 1358 L CB -0.657 41.514 42.059 0.187 0.000 0.889 1358 L HN 0.172 nan 8.230 nan 0.000 0.432 1359 I N -0.624 119.722 120.570 -0.374 0.000 2.142 1359 I HA -0.206 3.961 4.170 -0.006 0.000 0.240 1359 I C -0.355 175.420 176.117 -0.570 0.000 1.078 1359 I CA 1.221 62.281 61.300 -0.401 0.000 1.343 1359 I CB -1.703 36.114 38.000 -0.304 0.000 1.046 1359 I HN 0.263 nan 8.210 nan 0.000 0.405 1360 P HA -0.169 nan 4.420 nan 0.000 0.215 1360 P C 1.156 178.231 177.300 -0.375 0.000 1.157 1360 P CA 1.153 63.798 63.100 -0.758 0.000 0.868 1360 P CB -0.043 31.158 31.700 -0.833 0.000 0.788 1364 M N 0.760 120.339 119.600 -0.034 0.000 2.686 1364 M HA 0.078 4.555 4.480 -0.006 0.000 0.246 1364 M C 0.136 176.511 176.300 0.125 0.000 1.096 1364 M CA 0.445 55.797 55.300 0.088 0.000 1.076 1364 M CB -0.039 32.685 32.600 0.207 0.000 1.504 1364 M HN 0.269 nan 8.290 nan 0.000 0.524 1365 S N 0.585 116.326 115.700 0.067 0.000 3.391 1365 S HA -0.171 4.296 4.470 -0.006 0.000 0.458 1365 S C -0.798 173.881 174.600 0.132 0.000 0.812 1365 S CA 0.233 58.471 58.200 0.064 0.000 1.366 1365 S CB -1.282 61.932 63.200 0.024 0.000 0.943 1365 S HN 0.391 nan 8.310 nan 0.000 0.680 1366 Y N 2.159 122.447 120.300 -0.019 0.000 2.334 1366 Y HA 0.421 4.968 4.550 -0.006 0.000 0.328 1366 Y C -1.807 174.119 175.900 0.043 0.000 1.130 1366 Y CA -1.999 56.124 58.100 0.039 0.000 1.163 1366 Y CB 0.913 39.411 38.460 0.062 0.000 1.207 1366 Y HN 0.187 nan 8.280 nan 0.000 0.471 1367 P HA 0.181 nan 4.420 nan 0.000 0.232 1367 P C -0.266 177.092 177.300 0.096 0.000 1.738 1367 P CA 0.645 63.768 63.100 0.037 0.000 0.948 1367 P CB -0.286 31.396 31.700 -0.030 0.000 1.943 1368 L N -0.679 120.632 121.223 0.148 0.000 3.110 1368 L HA 0.175 4.511 4.340 -0.006 0.000 0.266 1368 L C 1.843 178.778 176.870 0.108 0.000 1.257 1368 L CA 0.095 55.024 54.840 0.148 0.000 1.038 1368 L CB -0.008 42.178 42.059 0.212 0.000 1.395 1368 L HN 0.067 nan 8.230 nan 0.000 0.566 1369 S N 0.454 116.204 115.700 0.083 0.000 2.465 1369 S HA -0.166 4.301 4.470 -0.006 0.000 0.241 1369 S C 1.604 176.241 174.600 0.061 0.000 1.000 1369 S CA 1.561 59.802 58.200 0.069 0.000 0.964 1369 S CB 0.068 63.299 63.200 0.052 0.000 0.763 1369 S HN 0.553 nan 8.310 nan 0.000 0.512 1370 E N -0.864 119.370 120.200 0.057 0.000 2.340 1370 E HA 0.199 4.546 4.350 -0.006 0.000 0.194 1370 E C 1.573 178.206 176.600 0.055 0.000 0.996 1370 E CA 0.409 56.838 56.400 0.048 0.000 0.869 1370 E CB -0.043 29.680 29.700 0.037 0.000 0.835 1370 E HN 0.581 nan 8.360 nan 0.000 0.493 1371 G N 1.459 110.301 108.800 0.070 0.000 2.205 1371 G HA2 -0.300 3.656 3.960 -0.006 0.000 0.261 1371 G HA3 -0.300 3.656 3.960 -0.006 0.000 0.261 1371 G C 0.202 175.144 174.900 0.070 0.000 0.980 1371 G CA 0.309 45.455 45.100 0.077 0.000 0.632 1371 G HN 0.259 nan 8.290 nan 0.000 0.533 1372 Q N -0.839 118.994 119.800 0.055 0.000 2.345 1372 Q HA 0.811 5.148 4.340 -0.006 0.000 0.268 1372 Q C -1.190 174.828 176.000 0.030 0.000 1.054 1372 Q CA -0.898 54.931 55.803 0.044 0.000 0.835 1372 Q CB 2.654 31.412 28.738 0.033 0.000 1.339 1372 Q HN 0.354 nan 8.270 nan 0.000 0.447 1373 L N 2.510 123.745 121.223 0.020 0.000 2.543 1373 L HA 0.357 4.693 4.340 -0.006 0.000 0.265 1373 L C -1.886 174.975 176.870 -0.015 0.000 0.945 1373 L CA -0.317 54.512 54.840 -0.019 0.000 0.869 1373 L CB 1.974 43.997 42.059 -0.060 0.000 1.294 1373 L HN 0.676 nan 8.230 nan 0.000 0.405 1374 D N 3.713 124.100 120.400 -0.023 0.000 2.248 1374 D HA 0.211 4.847 4.640 -0.006 0.000 0.246 1374 D C 0.228 176.518 176.300 -0.016 0.000 1.027 1374 D CA -0.515 53.480 54.000 -0.008 0.000 0.853 1374 D CB 1.628 42.428 40.800 -0.000 0.000 1.243 1374 D HN 0.476 nan 8.370 nan 0.000 0.462 1375 Q N 1.576 121.379 119.800 0.004 0.000 2.129 1375 Q HA -0.295 4.041 4.340 -0.006 0.000 0.218 1375 Q C 1.644 177.648 176.000 0.006 0.000 1.040 1375 Q CA 2.117 57.929 55.803 0.014 0.000 0.913 1375 Q CB -0.380 28.373 28.738 0.025 0.000 1.030 1375 Q HN 0.631 nan 8.270 nan 0.000 0.419 1376 K N -0.544 119.859 120.400 0.004 0.000 1.991 1376 K HA -0.120 4.197 4.320 -0.006 0.000 0.212 1376 K C 2.226 178.825 176.600 -0.002 0.000 1.049 1376 K CA 1.834 58.125 56.287 0.006 0.000 0.932 1376 K CB -0.307 32.197 32.500 0.006 0.000 0.717 1376 K HN 0.260 nan 8.250 nan 0.000 0.441 1377 T N 1.035 115.576 114.554 -0.022 0.000 2.833 1377 T HA -0.122 4.224 4.350 -0.006 0.000 0.269 1377 T C 1.903 176.543 174.700 -0.100 0.000 1.054 1377 T CA 1.213 63.287 62.100 -0.043 0.000 1.135 1377 T CB -0.184 68.654 68.868 -0.050 0.000 0.869 1377 T HN 0.333 nan 8.240 nan 0.000 0.466 1378 A N 1.485 124.223 122.820 -0.137 0.000 1.898 1378 A HA 0.035 4.351 4.320 -0.006 0.000 0.216 1378 A C 2.315 179.858 177.584 -0.069 0.000 1.181 1378 A CA 1.215 53.088 52.037 -0.273 0.000 0.620 1378 A CB -0.594 18.296 19.000 -0.183 0.000 0.819 1378 A HN 0.431 nan 8.150 nan 0.000 0.442 1379 M N -0.300 119.323 119.600 0.038 0.000 2.296 1379 M HA -0.102 4.374 4.480 -0.006 0.000 0.265 1379 M C 2.292 178.695 176.300 0.171 0.000 1.064 1379 M CA 1.395 56.769 55.300 0.123 0.000 1.109 1379 M CB -0.274 32.377 32.600 0.085 0.000 1.396 1379 M HN 0.430 nan 8.290 nan 0.000 0.430 1380 S N 0.875 116.648 115.700 0.122 0.000 2.345 1380 S HA -0.047 4.419 4.470 -0.006 0.000 0.219 1380 S C 1.823 176.541 174.600 0.197 0.000 1.031 1380 S CA 0.854 59.157 58.200 0.171 0.000 0.984 1380 S CB -0.321 62.936 63.200 0.095 0.000 0.874 1380 S HN 0.418 nan 8.310 nan 0.000 0.451 1381 L N 0.927 122.216 121.223 0.111 0.000 2.013 1381 L HA -0.150 4.187 4.340 -0.006 0.000 0.212 1381 L C 2.349 179.425 176.870 0.343 0.000 1.073 1381 L CA 1.209 56.136 54.840 0.145 0.000 0.753 1381 L CB -0.307 41.760 42.059 0.013 0.000 0.890 1381 L HN 0.291 nan 8.230 nan 0.000 0.432 1382 L N -0.874 120.617 121.223 0.447 0.000 2.131 1382 L HA -0.279 4.057 4.340 -0.006 0.000 0.210 1382 L C 2.069 179.207 176.870 0.446 0.000 1.092 1382 L CA 1.764 56.908 54.840 0.506 0.000 0.759 1382 L CB -0.666 41.701 42.059 0.513 0.000 0.903 1382 L HN 0.413 nan 8.230 nan 0.000 0.435 1383 W N -0.084 121.330 121.300 0.191 0.000 2.418 1383 W HA -0.158 4.498 4.660 -0.006 0.000 0.292 1383 W C 1.849 178.460 176.519 0.154 0.000 1.213 1383 W CA 0.363 57.805 57.345 0.161 0.000 1.283 1383 W CB 0.206 29.724 29.460 0.097 0.000 1.119 1383 W HN 0.012 nan 8.180 nan 0.000 0.542 1384 K N 0.533 120.935 120.400 0.003 0.000 2.288 1384 K HA -0.028 4.289 4.320 -0.006 0.000 0.201 1384 K C 1.534 178.085 176.600 -0.082 0.000 1.048 1384 K CA 0.891 57.080 56.287 -0.163 0.000 0.956 1384 K CB -0.519 31.933 32.500 -0.081 0.000 0.746 1384 K HN -0.013 nan 8.250 nan 0.000 0.461 1385 S N 1.037 116.775 115.700 0.064 0.000 2.710 1385 S HA 0.006 4.472 4.470 -0.006 0.000 0.224 1385 S C 1.103 175.735 174.600 0.053 0.000 0.948 1385 S CA -0.384 57.880 58.200 0.107 0.000 0.949 1385 S CB -0.366 62.968 63.200 0.222 0.000 0.778 1385 S HN 0.268 nan 8.310 nan 0.000 0.498 1386 Y N 4.067 124.289 120.300 -0.130 0.000 2.114 1386 Y HA -0.156 4.390 4.550 -0.007 0.000 0.282 1386 Y C -0.718 175.122 175.900 -0.100 0.000 1.165 1386 Y CA 1.760 59.781 58.100 -0.133 0.000 1.148 1386 Y CB -1.157 37.084 38.460 -0.365 0.000 0.972 1386 Y HN 0.258 nan 8.280 nan 0.000 0.504 1387 P HA -0.173 nan 4.420 nan 0.000 0.223 1387 P C 1.417 178.614 177.300 -0.173 0.000 1.144 1387 P CA 1.651 64.680 63.100 -0.118 0.000 0.783 1387 P CB -0.054 31.637 31.700 -0.014 0.000 0.771 1388 L N -0.686 120.448 121.223 -0.148 0.000 2.221 1388 L HA 0.017 4.353 4.340 -0.006 0.000 0.202 1388 L C 2.273 178.976 176.870 -0.278 0.000 1.074 1388 L CA 0.852 55.584 54.840 -0.180 0.000 0.795 1388 L CB -0.148 41.847 42.059 -0.107 0.000 0.960 1388 L HN -0.146 nan 8.230 nan 0.000 0.458 1389 V N -6.421 113.336 119.914 -0.261 0.000 3.477 1389 V HA 0.162 4.279 4.120 -0.006 0.000 0.297 1389 V C 1.026 176.974 176.094 -0.244 0.000 1.433 1389 V CA -0.807 61.336 62.300 -0.262 0.000 1.052 1389 V CB -0.460 31.240 31.823 -0.205 0.000 0.895 1389 V HN 0.391 nan 8.190 nan 0.000 0.438 1390 C N 2.022 121.045 119.300 -0.462 0.000 3.200 1390 C HA -0.183 4.273 4.460 -0.006 0.000 0.263 1390 C C 0.532 175.454 174.990 -0.113 0.000 1.345 1390 C CA 0.567 59.152 59.018 -0.721 0.000 2.274 1390 C CB -2.624 24.743 27.740 -0.622 0.000 1.459 1390 C HN 0.654 nan 8.230 nan 0.000 0.501 1391 I N 1.425 122.140 120.570 0.240 0.000 2.355 1391 I HA 0.467 4.634 4.170 -0.006 0.000 0.288 1391 I C 0.870 177.359 176.117 0.621 0.000 0.999 1391 I CA -0.226 61.380 61.300 0.511 0.000 1.163 1391 I CB 1.175 39.451 38.000 0.460 0.000 1.316 1391 I HN 0.500 nan 8.210 nan 0.000 0.454 1392 A N 5.758 128.882 122.820 0.507 0.000 2.587 1392 A HA -0.039 4.278 4.320 -0.006 0.000 0.235 1392 A C 1.471 179.157 177.584 0.171 0.000 1.044 1392 A CA 0.169 52.421 52.037 0.359 0.000 0.754 1392 A CB 0.096 19.227 19.000 0.218 0.000 0.968 1392 A HN 0.933 nan 8.150 nan 0.000 0.509 1393 K N 0.968 121.265 120.400 -0.171 0.000 2.362 1393 K HA -0.206 4.110 4.320 -0.006 0.000 0.202 1393 K C 1.730 178.183 176.600 -0.245 0.000 1.045 1393 K CA 1.933 57.899 56.287 -0.536 0.000 0.936 1393 K CB 0.011 31.692 32.500 -1.364 0.000 0.747 1393 K HN 0.922 nan 8.250 nan 0.000 0.467 1394 E N 0.269 120.395 120.200 -0.124 0.000 2.112 1394 E HA -0.161 4.185 4.350 -0.006 0.000 0.190 1394 E C 1.857 178.450 176.600 -0.012 0.000 0.979 1394 E CA 0.673 57.032 56.400 -0.068 0.000 0.814 1394 E CB -0.301 29.373 29.700 -0.043 0.000 0.762 1394 E HN 0.310 nan 8.360 nan 0.000 0.460 1395 L N 0.880 122.124 121.223 0.035 0.000 2.217 1395 L HA -0.092 4.244 4.340 -0.006 0.000 0.211 1395 L C 2.552 179.468 176.870 0.075 0.000 1.107 1395 L CA 0.156 55.023 54.840 0.045 0.000 0.783 1395 L CB -0.502 41.599 42.059 0.071 0.000 0.919 1395 L HN 0.105 nan 8.230 nan 0.000 0.442 1396 I N 0.614 121.249 120.570 0.109 0.000 2.103 1396 I HA -0.280 3.887 4.170 -0.006 0.000 0.241 1396 I C 0.144 176.336 176.117 0.126 0.000 1.036 1396 I CA 2.393 63.783 61.300 0.151 0.000 1.300 1396 I CB -2.524 35.553 38.000 0.129 0.000 1.010 1396 I HN 0.194 nan 8.210 nan 0.000 0.406 1397 P HA -0.185 nan 4.420 nan 0.000 0.215 1397 P C 1.698 179.046 177.300 0.080 0.000 1.163 1397 P CA 1.661 64.800 63.100 0.065 0.000 0.894 1397 P CB -0.045 31.673 31.700 0.030 0.000 0.791 1398 E N -0.725 119.517 120.200 0.071 0.000 2.033 1398 E HA -0.230 4.116 4.350 -0.006 0.000 0.199 1398 E C 2.140 178.842 176.600 0.170 0.000 1.011 1398 E CA 1.435 57.892 56.400 0.095 0.000 0.815 1398 E CB -0.705 29.030 29.700 0.058 0.000 0.755 1398 E HN 0.086 nan 8.360 nan 0.000 0.451 1399 A N 0.594 123.525 122.820 0.185 0.000 1.917 1399 A HA -0.240 4.077 4.320 -0.006 0.000 0.219 1399 A C 2.379 180.113 177.584 0.251 0.000 1.182 1399 A CA 2.334 54.513 52.037 0.237 0.000 0.633 1399 A CB -0.998 18.135 19.000 0.223 0.000 0.819 1399 A HN 0.266 nan 8.150 nan 0.000 0.448 1400 T N -0.763 113.923 114.554 0.219 0.000 2.812 1400 T HA -0.091 4.256 4.350 -0.006 0.000 0.264 1400 T C 1.898 176.705 174.700 0.179 0.000 1.042 1400 T CA 1.556 63.793 62.100 0.227 0.000 1.140 1400 T CB -0.220 68.764 68.868 0.193 0.000 0.870 1400 T HN 0.636 nan 8.240 nan 0.000 0.445 1401 E N 1.666 121.934 120.200 0.114 0.000 2.077 1401 E HA -0.146 4.201 4.350 -0.006 0.000 0.193 1401 E C 2.081 178.689 176.600 0.014 0.000 0.989 1401 E CA 1.338 57.774 56.400 0.060 0.000 0.800 1401 E CB -0.231 29.491 29.700 0.036 0.000 0.746 1401 E HN 0.222 nan 8.360 nan 0.000 0.452 1402 K N -1.060 119.318 120.400 -0.037 0.000 2.152 1402 K HA -0.145 4.171 4.320 -0.006 0.000 0.206 1402 K C 1.476 177.928 176.600 -0.247 0.000 1.048 1402 K CA 1.491 57.624 56.287 -0.258 0.000 0.933 1402 K CB -0.369 31.715 32.500 -0.693 0.000 0.721 1402 K HN 0.288 nan 8.250 nan 0.000 0.447 1403 Y N -0.878 119.352 120.300 -0.117 0.000 2.422 1403 Y HA 0.206 4.753 4.550 -0.006 0.000 0.291 1403 Y C 1.678 177.599 175.900 0.035 0.000 1.144 1403 Y CA 0.641 58.729 58.100 -0.020 0.000 1.208 1403 Y CB 0.267 38.776 38.460 0.081 0.000 1.195 1403 Y HN -0.133 nan 8.280 nan 0.000 0.535 1404 L N -1.632 119.727 121.223 0.227 0.000 2.354 1404 L HA 0.158 4.494 4.340 -0.006 0.000 0.212 1404 L C 2.434 179.354 176.870 0.084 0.000 1.091 1404 L CA 0.847 55.783 54.840 0.160 0.000 0.828 1404 L CB -0.963 41.197 42.059 0.170 0.000 0.973 1404 L HN 0.259 nan 8.230 nan 0.000 0.461 1405 G N 0.890 109.725 108.800 0.058 0.000 2.475 1405 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.220 1405 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.220 1405 G C 1.614 176.521 174.900 0.010 0.000 1.125 1405 G CA 0.831 45.946 45.100 0.026 0.000 0.755 1405 G HN 0.466 nan 8.290 nan 0.000 0.565 1406 G N -0.078 108.722 108.800 -0.000 0.000 2.550 1406 G HA2 0.016 3.972 3.960 -0.006 0.000 0.222 1406 G HA3 0.016 3.972 3.960 -0.006 0.000 0.222 1406 G C 1.075 175.978 174.900 0.005 0.000 1.113 1406 G CA 2.091 47.185 45.100 -0.010 0.000 0.748 1406 G HN 0.918 nan 8.290 nan 0.000 0.585 1407 T N -5.369 109.197 114.554 0.021 0.000 2.626 1407 T HA 0.564 4.910 4.350 -0.006 0.000 0.279 1407 T C -0.284 174.432 174.700 0.026 0.000 0.983 1407 T CA -0.172 61.942 62.100 0.023 0.000 1.059 1407 T CB 1.972 70.858 68.868 0.029 0.000 1.396 1407 T HN -0.143 nan 8.240 nan 0.000 0.519 1408 D N -0.319 120.097 120.400 0.025 0.000 2.525 1408 D HA 0.160 4.797 4.640 -0.006 0.000 0.231 1408 D C -0.657 175.660 176.300 0.027 0.000 1.216 1408 D CA -0.159 53.855 54.000 0.024 0.000 0.813 1408 D CB 0.623 41.434 40.800 0.018 0.000 1.108 1408 D HN 0.535 nan 8.370 nan 0.000 0.524 1409 D N 1.826 122.245 120.400 0.031 0.000 2.343 1409 D HA -0.015 4.621 4.640 -0.006 0.000 0.255 1409 D C 1.666 177.990 176.300 0.040 0.000 1.187 1409 D CA 0.256 54.276 54.000 0.033 0.000 0.875 1409 D CB 1.576 42.397 40.800 0.035 0.000 1.136 1409 D HN 0.030 nan 8.370 nan 0.000 0.469 1410 T N 0.667 115.242 114.554 0.035 0.000 2.720 1410 T HA -0.155 4.191 4.350 -0.006 0.000 0.268 1410 T C 1.978 176.708 174.700 0.050 0.000 1.037 1410 T CA 1.103 63.225 62.100 0.037 0.000 1.144 1410 T CB -0.353 68.532 68.868 0.029 0.000 0.864 1410 T HN 0.237 nan 8.240 nan 0.000 0.444 1411 V N 1.714 121.659 119.914 0.052 0.000 2.358 1411 V HA -0.088 4.029 4.120 -0.006 0.000 0.246 1411 V C 2.821 178.964 176.094 0.081 0.000 1.047 1411 V CA 1.668 64.007 62.300 0.064 0.000 1.035 1411 V CB -0.593 31.263 31.823 0.054 0.000 0.658 1411 V HN 0.481 nan 8.190 nan 0.000 0.452 1412 K N -0.032 120.412 120.400 0.073 0.000 2.209 1412 K HA -0.162 4.155 4.320 -0.006 0.000 0.204 1412 K C 2.221 178.888 176.600 0.112 0.000 1.048 1412 K CA 1.138 57.475 56.287 0.085 0.000 0.940 1412 K CB -0.140 32.400 32.500 0.066 0.000 0.729 1412 K HN 0.445 nan 8.250 nan 0.000 0.451 1413 K N 0.809 121.271 120.400 0.104 0.000 2.057 1413 K HA -0.120 4.196 4.320 -0.006 0.000 0.206 1413 K C 2.127 178.833 176.600 0.177 0.000 1.050 1413 K CA 0.801 57.164 56.287 0.127 0.000 0.935 1413 K CB -0.002 32.548 32.500 0.082 0.000 0.715 1413 K HN -0.032 nan 8.250 nan 0.000 0.439 1414 K N 1.659 122.148 120.400 0.150 0.000 2.063 1414 K HA -0.201 4.116 4.320 -0.006 0.000 0.208 1414 K C 1.229 177.993 176.600 0.273 0.000 1.048 1414 K CA 1.788 58.194 56.287 0.198 0.000 0.928 1414 K CB -0.105 32.483 32.500 0.146 0.000 0.713 1414 K HN 0.099 nan 8.250 nan 0.000 0.442 1415 D N 0.937 121.463 120.400 0.210 0.000 2.097 1415 D HA -0.120 4.517 4.640 -0.006 0.000 0.197 1415 D C 2.145 178.588 176.300 0.239 0.000 0.984 1415 D CA 0.851 54.974 54.000 0.204 0.000 0.826 1415 D CB -0.228 40.662 40.800 0.149 0.000 0.973 1415 D HN 0.207 nan 8.370 nan 0.000 0.460 1416 L N 0.031 121.401 121.223 0.246 0.000 2.191 1416 L HA -0.151 4.185 4.340 -0.006 0.000 0.212 1416 L C 2.299 179.385 176.870 0.359 0.000 1.103 1416 L CA 0.463 55.480 54.840 0.296 0.000 0.769 1416 L CB -0.286 41.934 42.059 0.268 0.000 0.908 1416 L HN -0.041 nan 8.230 nan 0.000 0.438 1417 F N 0.545 120.602 119.950 0.179 0.000 2.163 1417 F HA -0.150 4.373 4.527 -0.006 0.000 0.297 1417 F C 2.108 177.989 175.800 0.136 0.000 1.094 1417 F CA 1.328 59.415 58.000 0.144 0.000 1.290 1417 F CB -0.144 38.950 39.000 0.158 0.000 1.017 1417 F HN -0.125 nan 8.300 nan 0.000 0.483 1418 L N -0.144 121.204 121.223 0.209 0.000 2.131 1418 L HA -0.201 4.136 4.340 -0.006 0.000 0.210 1418 L C 1.750 178.680 176.870 0.099 0.000 1.092 1418 L CA 1.328 56.271 54.840 0.172 0.000 0.759 1418 L CB -0.857 41.355 42.059 0.256 0.000 0.903 1418 L HN 0.076 nan 8.230 nan 0.000 0.435 1419 D N -0.058 120.427 120.400 0.141 0.000 2.317 1419 D HA -0.098 4.538 4.640 -0.006 0.000 0.211 1419 D C 2.013 178.371 176.300 0.098 0.000 0.966 1419 D CA 0.606 54.714 54.000 0.180 0.000 0.876 1419 D CB 0.093 41.063 40.800 0.284 0.000 0.927 1419 D HN 0.194 nan 8.370 nan 0.000 0.519 1420 L N 0.663 121.794 121.223 -0.154 0.000 2.049 1420 L HA -0.058 4.278 4.340 -0.006 0.000 0.203 1420 L C 1.828 178.408 176.870 -0.483 0.000 1.074 1420 L CA 1.369 55.853 54.840 -0.594 0.000 0.749 1420 L CB -0.651 41.014 42.059 -0.658 0.000 0.907 1420 L HN -0.151 nan 8.230 nan 0.000 0.439 1421 I N 0.876 121.101 120.570 -0.574 0.000 2.163 1421 I HA -0.276 3.891 4.170 -0.006 0.000 0.243 1421 I C 2.766 178.593 176.117 -0.485 0.000 1.085 1421 I CA 1.593 62.464 61.300 -0.716 0.000 1.347 1421 I CB -1.955 35.296 38.000 -1.249 0.000 1.044 1421 I HN 0.404 nan 8.210 nan 0.000 0.408 1422 A N 0.592 123.281 122.820 -0.218 0.000 1.940 1422 A HA -0.230 4.087 4.320 -0.006 0.000 0.219 1422 A C 1.953 179.577 177.584 0.066 0.000 1.176 1422 A CA 2.074 54.157 52.037 0.078 0.000 0.631 1422 A CB -0.617 18.481 19.000 0.162 0.000 0.814 1422 A HN 0.402 nan 8.150 nan 0.000 0.446 1423 D N -0.628 119.751 120.400 -0.035 0.000 2.224 1423 D HA -0.038 4.598 4.640 -0.006 0.000 0.205 1423 D C 1.976 178.101 176.300 -0.291 0.000 0.965 1423 D CA 1.118 55.096 54.000 -0.038 0.000 0.852 1423 D CB -0.129 40.767 40.800 0.159 0.000 0.947 1423 D HN 0.266 nan 8.370 nan 0.000 0.494 1424 V N 0.610 120.217 119.914 -0.510 0.000 2.488 1424 V HA -0.106 4.010 4.120 -0.006 0.000 0.246 1424 V C 2.372 178.189 176.094 -0.461 0.000 1.046 1424 V CA 1.048 62.954 62.300 -0.656 0.000 1.053 1424 V CB -0.200 31.162 31.823 -0.769 0.000 0.679 1424 V HN 0.162 nan 8.190 nan 0.000 0.458 1425 M N -1.620 117.700 119.600 -0.468 0.000 2.287 1425 M HA 0.068 4.544 4.480 -0.006 0.000 0.266 1425 M C 1.686 177.460 176.300 -0.876 0.000 1.079 1425 M CA 1.983 56.851 55.300 -0.720 0.000 1.146 1425 M CB -0.007 32.032 32.600 -0.936 0.000 1.374 1425 M HN 0.377 nan 8.290 nan 0.000 0.435 1426 F N -1.923 117.953 119.950 -0.122 0.000 2.268 1426 F HA 0.372 4.896 4.527 -0.006 0.000 0.262 1426 F C 2.341 178.096 175.800 -0.074 0.000 0.910 1426 F CA 0.147 58.109 58.000 -0.064 0.000 1.142 1426 F CB -1.443 37.564 39.000 0.012 0.000 1.229 1426 F HN 0.020 nan 8.300 nan 0.000 0.781 1427 G N 1.457 110.360 108.800 0.172 0.000 2.719 1427 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.219 1427 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.219 1427 G C 1.680 176.591 174.900 0.018 0.000 1.234 1427 G CA 2.417 47.559 45.100 0.071 0.000 0.788 1427 G HN 0.201 nan 8.290 nan 0.000 0.619 1428 V N 2.249 122.166 119.914 0.004 0.000 2.261 1428 V HA -0.104 4.013 4.120 -0.006 0.000 0.246 1428 V C 0.469 176.558 176.094 -0.009 0.000 1.047 1428 V CA 2.348 64.660 62.300 0.021 0.000 1.015 1428 V CB -1.232 30.611 31.823 0.033 0.000 0.642 1428 V HN 0.308 nan 8.190 nan 0.000 0.446 1429 P HA -0.124 nan 4.420 nan 0.000 0.215 1429 P C 2.022 179.286 177.300 -0.061 0.000 1.157 1429 P CA 1.958 65.018 63.100 -0.066 0.000 0.874 1429 P CB -0.128 31.500 31.700 -0.120 0.000 0.790 1430 S N -0.594 115.066 115.700 -0.066 0.000 2.365 1430 S HA -0.141 4.325 4.470 -0.006 0.000 0.225 1430 S C 1.996 176.501 174.600 -0.158 0.000 1.039 1430 S CA 1.591 59.722 58.200 -0.115 0.000 1.033 1430 S CB -1.417 61.714 63.200 -0.116 0.000 0.887 1430 S HN -0.023 nan 8.310 nan 0.000 0.447 1431 V N 1.935 121.779 119.914 -0.117 0.000 2.427 1431 V HA -0.112 4.005 4.120 -0.006 0.000 0.248 1431 V C 2.041 178.120 176.094 -0.025 0.000 1.051 1431 V CA 1.291 63.527 62.300 -0.106 0.000 1.048 1431 V CB -0.734 31.073 31.823 -0.026 0.000 0.666 1431 V HN 0.452 nan 8.190 nan 0.000 0.456 1432 I N -0.284 120.286 120.570 0.001 0.000 2.202 1432 I HA -0.182 3.984 4.170 -0.006 0.000 0.242 1432 I C 2.417 178.554 176.117 0.033 0.000 1.091 1432 I CA 1.177 62.499 61.300 0.037 0.000 1.368 1432 I CB -0.460 37.561 38.000 0.034 0.000 1.058 1432 I HN 0.144 nan 8.210 nan 0.000 0.410 1433 V N 1.266 121.175 119.914 -0.007 0.000 2.332 1433 V HA -0.316 3.800 4.120 -0.006 0.000 0.248 1433 V C 2.743 178.853 176.094 0.028 0.000 1.055 1433 V CA 2.110 64.418 62.300 0.013 0.000 1.038 1433 V CB -1.032 30.777 31.823 -0.025 0.000 0.651 1433 V HN 0.502 nan 8.190 nan 0.000 0.450 1434 A N -0.269 122.495 122.820 -0.093 0.000 1.898 1434 A HA -0.205 4.111 4.320 -0.006 0.000 0.216 1434 A C 2.381 180.035 177.584 0.116 0.000 1.181 1434 A CA 1.735 53.694 52.037 -0.128 0.000 0.620 1434 A CB -0.480 18.230 19.000 -0.482 0.000 0.819 1434 A HN 0.492 nan 8.150 nan 0.000 0.442 1435 R N -0.212 120.387 120.500 0.165 0.000 2.083 1435 R HA -0.148 4.189 4.340 -0.006 0.000 0.237 1435 R C 2.042 178.455 176.300 0.189 0.000 1.137 1435 R CA 1.853 58.102 56.100 0.247 0.000 0.951 1435 R CB -0.533 29.885 30.300 0.197 0.000 0.851 1435 R HN 0.713 nan 8.270 nan 0.000 0.434 1436 N N -0.679 118.122 118.700 0.168 0.000 2.166 1436 N HA -0.208 4.528 4.740 -0.006 0.000 0.186 1436 N C 1.764 177.414 175.510 0.233 0.000 1.019 1436 N CA 1.034 54.189 53.050 0.175 0.000 0.856 1436 N CB -0.177 38.410 38.487 0.167 0.000 0.993 1436 N HN 0.290 nan 8.380 nan 0.000 0.426 1437 H N 1.271 120.460 119.070 0.198 0.000 2.389 1437 H HA 0.043 4.595 4.556 -0.006 0.000 0.299 1437 H C 2.247 177.686 175.328 0.184 0.000 1.081 1437 H CA 1.302 57.508 56.048 0.263 0.000 1.345 1437 H CB 0.149 30.085 29.762 0.291 0.000 1.393 1437 H HN 0.028 nan 8.280 nan 0.000 0.520 1438 R N 0.335 120.967 120.500 0.219 0.000 2.070 1438 R HA -0.127 4.210 4.340 -0.006 0.000 0.233 1438 R C 1.162 177.488 176.300 0.044 0.000 1.137 1438 R CA 1.973 58.155 56.100 0.137 0.000 0.945 1438 R CB -0.163 30.259 30.300 0.205 0.000 0.845 1438 R HN 0.371 nan 8.270 nan 0.000 0.430 1439 D N 0.375 120.812 120.400 0.062 0.000 2.309 1439 D HA -0.100 4.537 4.640 -0.006 0.000 0.212 1439 D C 1.379 177.669 176.300 -0.017 0.000 0.968 1439 D CA 1.171 55.186 54.000 0.026 0.000 0.882 1439 D CB -0.024 40.804 40.800 0.047 0.000 0.918 1439 D HN 0.421 nan 8.370 nan 0.000 0.503 1440 A N -0.216 122.578 122.820 -0.043 0.000 2.208 1440 A HA 0.382 4.699 4.320 -0.006 0.000 0.209 1440 A C 1.753 179.225 177.584 -0.185 0.000 1.161 1440 A CA 1.034 52.990 52.037 -0.136 0.000 0.782 1440 A CB -0.090 18.799 19.000 -0.185 0.000 0.816 1440 A HN 0.247 nan 8.150 nan 0.000 0.477 1441 G N -2.477 106.239 108.800 -0.140 0.000 2.131 1441 G HA2 0.223 4.179 3.960 -0.006 0.000 0.201 1441 G HA3 0.223 4.179 3.960 -0.006 0.000 0.201 1441 G C 0.130 174.952 174.900 -0.130 0.000 1.000 1441 G CA 0.153 45.182 45.100 -0.119 0.000 0.680 1441 G HN 1.565 nan 8.290 nan 0.000 0.514 1442 A N -0.239 122.470 122.820 -0.185 0.000 2.356 1442 A HA 0.917 5.234 4.320 -0.006 0.000 0.323 1442 A C -2.633 174.983 177.584 0.053 0.000 1.119 1442 A CA -1.771 50.193 52.037 -0.122 0.000 0.790 1442 A CB 1.450 20.258 19.000 -0.319 0.000 1.273 1442 A HN 0.047 nan 8.150 nan 0.000 0.452 1443 P HA 0.202 nan 4.420 nan 0.000 0.262 1443 P C -0.515 176.935 177.300 0.251 0.000 1.199 1443 P CA 0.854 64.042 63.100 0.145 0.000 0.763 1443 P CB 0.559 32.383 31.700 0.207 0.000 0.790 1444 T N 3.487 118.079 114.554 0.062 0.000 2.887 1444 T HA 0.584 4.930 4.350 -0.006 0.000 0.288 1444 T C -0.974 173.598 174.700 -0.213 0.000 1.021 1444 T CA -0.259 61.895 62.100 0.091 0.000 1.000 1444 T CB 0.845 69.840 68.868 0.211 0.000 1.034 1444 T HN 0.115 nan 8.240 nan 0.000 0.467 1445 Y N 0.846 121.097 120.300 -0.080 0.000 2.504 1445 Y HA 0.659 5.205 4.550 -0.006 0.000 0.344 1445 Y C -0.146 175.706 175.900 -0.080 0.000 1.023 1445 Y CA -1.073 56.963 58.100 -0.107 0.000 1.020 1445 Y CB 2.050 40.161 38.460 -0.582 0.000 1.282 1445 Y HN 0.370 nan 8.280 nan 0.000 0.454 1446 M N 3.086 122.906 119.600 0.368 0.000 2.619 1446 M HA 0.555 5.031 4.480 -0.006 0.000 0.297 1446 M C -1.539 175.047 176.300 0.478 0.000 1.229 1446 M CA -0.991 54.400 55.300 0.151 0.000 0.860 1446 M CB 3.269 35.742 32.600 -0.212 0.000 1.741 1446 M HN 0.776 nan 8.290 nan 0.000 0.462 1447 Y N -1.545 118.901 120.300 0.244 0.000 2.655 1447 Y HA 0.750 5.296 4.550 -0.006 0.000 0.336 1447 Y C -1.526 174.483 175.900 0.182 0.000 1.154 1447 Y CA -0.982 57.225 58.100 0.178 0.000 1.055 1447 Y CB 1.662 40.189 38.460 0.112 0.000 1.295 1447 Y HN 0.695 nan 8.280 nan 0.000 0.465 1448 E N 2.056 122.563 120.200 0.511 0.000 2.409 1448 E HA 0.259 4.605 4.350 -0.006 0.000 0.259 1448 E C -2.227 174.640 176.600 0.445 0.000 0.932 1448 E CA -0.669 55.959 56.400 0.379 0.000 0.809 1448 E CB 1.084 30.941 29.700 0.262 0.000 1.341 1448 E HN 0.615 nan 8.360 nan 0.000 0.405 1449 F N 3.545 123.729 119.950 0.389 0.000 2.438 1449 F HA 0.234 4.757 4.527 -0.006 0.000 0.356 1449 F C -0.278 175.637 175.800 0.192 0.000 1.099 1449 F CA 0.253 58.401 58.000 0.248 0.000 1.185 1449 F CB 0.746 39.890 39.000 0.240 0.000 1.115 1449 F HN 0.396 nan 8.300 nan 0.000 0.526 1450 Q N 7.381 126.907 119.800 -0.456 0.000 2.771 1450 Q HA 0.288 4.625 4.340 -0.006 0.000 0.247 1450 Q C -1.809 173.985 176.000 -0.343 0.000 0.986 1450 Q CA -0.556 55.090 55.803 -0.262 0.000 0.713 1450 Q CB 1.903 30.592 28.738 -0.081 0.000 1.241 1450 Q HN 0.728 nan 8.270 nan 0.000 0.488 1451 Y N 0.114 120.091 120.300 -0.539 0.000 2.592 1451 Y HA 0.372 4.918 4.550 -0.006 0.000 0.334 1451 Y C -1.666 174.196 175.900 -0.062 0.000 1.136 1451 Y CA -0.948 56.952 58.100 -0.333 0.000 1.042 1451 Y CB 1.704 39.880 38.460 -0.474 0.000 1.325 1451 Y HN 0.405 nan 8.280 nan 0.000 0.457 1452 R N 6.366 126.491 120.500 -0.625 0.000 2.332 1452 R HA 0.444 4.781 4.340 -0.006 0.000 0.306 1452 R C -2.722 173.314 176.300 -0.440 0.000 1.117 1452 R CA -2.051 53.822 56.100 -0.379 0.000 1.108 1452 R CB 0.661 30.752 30.300 -0.349 0.000 1.126 1452 R HN 0.399 nan 8.270 nan 0.000 0.548 1453 P HA -0.067 nan 4.420 nan 0.000 0.267 1453 P C 0.112 177.214 177.300 -0.330 0.000 1.201 1453 P CA 0.261 63.327 63.100 -0.058 0.000 0.775 1453 P CB 1.095 32.785 31.700 -0.018 0.000 0.854 1454 S N 0.350 115.722 115.700 -0.547 0.000 2.562 1454 S HA -0.001 4.466 4.470 -0.006 0.000 0.221 1454 S C 1.198 175.394 174.600 -0.673 0.000 0.975 1454 S CA 0.139 57.968 58.200 -0.619 0.000 0.918 1454 S CB -0.969 61.832 63.200 -0.665 0.000 0.772 1454 S HN 0.360 nan 8.310 nan 0.000 0.531 1455 F N 2.299 122.049 119.950 -0.333 0.000 2.797 1455 F HA 0.334 4.858 4.527 -0.006 0.000 0.302 1455 F C 1.321 176.912 175.800 -0.349 0.000 1.130 1455 F CA -0.495 57.293 58.000 -0.354 0.000 1.387 1455 F CB -0.588 38.112 39.000 -0.501 0.000 1.107 1455 F HN 0.007 nan 8.300 nan 0.000 0.577 1456 S N 0.317 115.869 115.700 -0.246 0.000 2.559 1456 S HA -0.051 4.415 4.470 -0.006 0.000 0.282 1456 S C 0.606 175.111 174.600 -0.158 0.000 1.336 1456 S CA -0.394 57.690 58.200 -0.192 0.000 1.037 1456 S CB 0.573 63.636 63.200 -0.229 0.000 0.853 1456 S HN 0.265 nan 8.310 nan 0.000 0.523 1457 S N 0.584 116.185 115.700 -0.165 0.000 2.562 1457 S HA 0.030 4.496 4.470 -0.006 0.000 0.281 1457 S C 0.868 175.313 174.600 -0.257 0.000 1.333 1457 S CA -0.736 57.371 58.200 -0.155 0.000 1.052 1457 S CB 0.192 63.338 63.200 -0.090 0.000 0.884 1457 S HN 0.617 nan 8.310 nan 0.000 0.506 1458 D N 3.920 124.229 120.400 -0.151 0.000 2.218 1458 D HA -0.109 4.527 4.640 -0.006 0.000 0.204 1458 D C 1.127 177.322 176.300 -0.176 0.000 0.976 1458 D CA 1.293 55.205 54.000 -0.148 0.000 0.853 1458 D CB -0.092 40.660 40.800 -0.079 0.000 0.939 1458 D HN 0.613 nan 8.370 nan 0.000 0.481 1459 M N 0.287 119.786 119.600 -0.169 0.000 2.581 1459 M HA 0.033 4.509 4.480 -0.006 0.000 0.224 1459 M C 0.629 176.692 176.300 -0.395 0.000 1.171 1459 M CA 0.198 55.433 55.300 -0.108 0.000 0.993 1459 M CB 0.145 32.824 32.600 0.131 0.000 1.685 1459 M HN -0.258 nan 8.290 nan 0.000 0.479 1460 K N 2.811 122.759 120.400 -0.753 0.000 2.293 1460 K HA 0.324 4.641 4.320 -0.006 0.000 0.267 1460 K C -2.397 173.871 176.600 -0.554 0.000 1.010 1460 K CA -1.865 53.694 56.287 -1.213 0.000 0.875 1460 K CB 1.191 32.882 32.500 -1.349 0.000 1.106 1460 K HN -0.104 nan 8.250 nan 0.000 0.450 1461 P HA -0.071 nan 4.420 nan 0.000 0.256 1461 P C -0.336 176.870 177.300 -0.157 0.000 1.173 1461 P CA 0.251 63.255 63.100 -0.159 0.000 0.768 1461 P CB 0.540 32.217 31.700 -0.039 0.000 0.758 1462 K N 1.638 121.954 120.400 -0.140 0.000 2.362 1462 K HA -0.115 4.201 4.320 -0.006 0.000 0.202 1462 K C 1.670 178.211 176.600 -0.099 0.000 1.045 1462 K CA 1.851 58.058 56.287 -0.133 0.000 0.936 1462 K CB -0.660 31.769 32.500 -0.118 0.000 0.747 1462 K HN 0.601 nan 8.250 nan 0.000 0.467 1463 T N -1.589 112.927 114.554 -0.064 0.000 3.055 1463 T HA 0.015 4.362 4.350 -0.006 0.000 0.265 1463 T C 0.905 175.592 174.700 -0.022 0.000 1.111 1463 T CA -0.037 62.042 62.100 -0.035 0.000 1.118 1463 T CB -0.155 68.710 68.868 -0.006 0.000 0.909 1463 T HN -0.167 nan 8.240 nan 0.000 0.501 1464 V N 2.614 122.511 119.914 -0.028 0.000 2.439 1464 V HA 0.386 4.502 4.120 -0.006 0.000 0.271 1464 V C 0.078 176.164 176.094 -0.013 0.000 1.040 1464 V CA -0.365 61.940 62.300 0.008 0.000 1.002 1464 V CB 0.097 31.941 31.823 0.035 0.000 1.000 1464 V HN 0.462 nan 8.190 nan 0.000 0.477 1465 I N 3.857 124.433 120.570 0.011 0.000 2.499 1465 I HA 0.606 4.772 4.170 -0.006 0.000 0.288 1465 I C 0.784 176.933 176.117 0.054 0.000 1.048 1465 I CA -0.443 60.850 61.300 -0.010 0.000 1.062 1465 I CB 1.853 39.821 38.000 -0.053 0.000 1.238 1465 I HN 0.792 nan 8.210 nan 0.000 0.426 1466 G N 3.742 112.605 108.800 0.105 0.000 2.248 1466 G HA2 -0.217 3.740 3.960 -0.006 0.000 0.252 1466 G HA3 -0.217 3.740 3.960 -0.006 0.000 0.252 1466 G C -0.246 174.788 174.900 0.223 0.000 1.085 1466 G CA -0.080 45.142 45.100 0.204 0.000 0.845 1466 G HN 0.700 nan 8.290 nan 0.000 0.494 1467 D N -0.751 119.785 120.400 0.226 0.000 2.372 1467 D HA 0.348 4.984 4.640 -0.006 0.000 0.243 1467 D C 0.893 177.347 176.300 0.256 0.000 1.297 1467 D CA -0.320 53.826 54.000 0.244 0.000 0.958 1467 D CB 0.327 41.300 40.800 0.290 0.000 1.114 1467 D HN 0.366 nan 8.370 nan 0.000 0.496 1468 H N -1.259 117.901 119.070 0.150 0.000 2.886 1468 H HA 0.370 4.922 4.556 -0.006 0.000 0.329 1468 H C 1.199 176.631 175.328 0.173 0.000 1.044 1468 H CA 1.521 57.628 56.048 0.098 0.000 1.456 1468 H CB 0.391 30.199 29.762 0.077 0.000 1.464 1468 H HN 0.554 nan 8.280 nan 0.000 0.573 1469 G N 4.228 112.856 108.800 -0.286 0.000 2.179 1469 G HA2 -0.328 3.628 3.960 -0.006 0.000 0.260 1469 G HA3 -0.328 3.628 3.960 -0.006 0.000 0.260 1469 G C 1.108 175.940 174.900 -0.115 0.000 0.977 1469 G CA 0.514 45.379 45.100 -0.393 0.000 0.641 1469 G HN 0.661 nan 8.290 nan 0.000 0.533 1470 D N 0.837 121.319 120.400 0.136 0.000 2.178 1470 D HA -0.042 4.594 4.640 -0.006 0.000 0.202 1470 D C 2.414 178.806 176.300 0.152 0.000 0.974 1470 D CA 1.350 55.574 54.000 0.373 0.000 0.841 1470 D CB -0.067 41.036 40.800 0.506 0.000 0.953 1470 D HN 0.710 nan 8.370 nan 0.000 0.478 1471 E N 1.156 121.102 120.200 -0.422 0.000 2.418 1471 E HA -0.112 4.234 4.350 -0.006 0.000 0.197 1471 E C 2.109 178.379 176.600 -0.550 0.000 1.026 1471 E CA 0.162 55.913 56.400 -1.081 0.000 0.862 1471 E CB -0.619 28.356 29.700 -1.208 0.000 0.799 1471 E HN 0.328 nan 8.360 nan 0.000 0.518 1472 L N -0.252 120.731 121.223 -0.401 0.000 2.131 1472 L HA -0.106 4.230 4.340 -0.006 0.000 0.210 1472 L C 2.264 178.870 176.870 -0.440 0.000 1.092 1472 L CA 1.237 55.820 54.840 -0.428 0.000 0.759 1472 L CB -0.521 41.150 42.059 -0.646 0.000 0.903 1472 L HN 0.026 nan 8.230 nan 0.000 0.435 1473 F N -0.857 119.009 119.950 -0.139 0.000 2.259 1473 F HA -0.121 4.403 4.527 -0.006 0.000 0.298 1473 F C 2.624 178.366 175.800 -0.098 0.000 1.088 1473 F CA 0.914 58.847 58.000 -0.111 0.000 1.358 1473 F CB -0.498 38.498 39.000 -0.006 0.000 1.040 1473 F HN -0.050 nan 8.300 nan 0.000 0.505 1474 S N -0.067 115.630 115.700 -0.005 0.000 2.348 1474 S HA -0.093 4.373 4.470 -0.006 0.000 0.219 1474 S C 2.314 176.761 174.600 -0.255 0.000 1.033 1474 S CA 0.969 59.113 58.200 -0.095 0.000 0.974 1474 S CB -0.517 62.588 63.200 -0.158 0.000 0.868 1474 S HN 0.098 nan 8.310 nan 0.000 0.459 1475 V N 0.901 120.542 119.914 -0.455 0.000 2.287 1475 V HA -0.153 3.963 4.120 -0.006 0.000 0.248 1475 V C 1.520 177.291 176.094 -0.537 0.000 1.053 1475 V CA 1.703 63.617 62.300 -0.643 0.000 1.027 1475 V CB -0.667 30.703 31.823 -0.756 0.000 0.646 1475 V HN 0.452 nan 8.190 nan 0.000 0.447 1476 F N 0.428 120.168 119.950 -0.350 0.000 2.692 1476 F HA 0.430 4.953 4.527 -0.006 0.000 0.303 1476 F C 1.660 177.347 175.800 -0.187 0.000 1.114 1476 F CA 0.497 58.322 58.000 -0.292 0.000 1.361 1476 F CB -0.353 38.431 39.000 -0.359 0.000 1.063 1476 F HN 0.260 nan 8.300 nan 0.000 0.550 1477 G N 0.898 109.689 108.800 -0.015 0.000 2.366 1477 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.299 1477 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.299 1477 G C 1.293 176.305 174.900 0.187 0.000 1.020 1477 G CA 0.314 45.503 45.100 0.148 0.000 1.026 1477 G HN 0.584 nan 8.290 nan 0.000 0.512 1478 A N 0.210 123.035 122.820 0.008 0.000 1.948 1478 A HA 0.041 4.358 4.320 -0.006 0.000 0.220 1478 A C 0.674 178.116 177.584 -0.237 0.000 1.177 1478 A CA 2.190 54.104 52.037 -0.206 0.000 0.636 1478 A CB -0.844 17.907 19.000 -0.416 0.000 0.815 1478 A HN 0.488 nan 8.150 nan 0.000 0.449 1479 P HA -0.126 nan 4.420 nan 0.000 0.222 1479 P C 0.443 177.502 177.300 -0.402 0.000 1.142 1479 P CA 0.954 63.959 63.100 -0.158 0.000 0.788 1479 P CB -0.154 31.329 31.700 -0.361 0.000 0.767 1480 F N -2.826 117.142 119.950 0.029 0.000 2.695 1480 F HA 0.233 4.757 4.527 -0.006 0.000 0.303 1480 F C 1.671 177.510 175.800 0.065 0.000 1.091 1480 F CA 0.321 58.364 58.000 0.071 0.000 1.300 1480 F CB -0.184 38.874 39.000 0.096 0.000 1.071 1480 F HN -0.167 nan 8.300 nan 0.000 0.578 1481 L N -1.691 119.608 121.223 0.127 0.000 2.678 1481 L HA 0.218 4.555 4.340 -0.006 0.000 0.211 1481 L C 0.942 177.836 176.870 0.040 0.000 1.043 1481 L CA -0.014 54.874 54.840 0.081 0.000 0.881 1481 L CB 0.001 42.084 42.059 0.039 0.000 1.361 1481 L HN -0.280 nan 8.230 nan 0.000 0.484 1482 K N 0.905 121.297 120.400 -0.014 0.000 2.118 1482 K HA 0.243 4.559 4.320 -0.006 0.000 0.240 1482 K C -0.449 176.244 176.600 0.155 0.000 1.035 1482 K CA -0.152 56.163 56.287 0.046 0.000 0.899 1482 K CB 0.659 33.111 32.500 -0.079 0.000 1.085 1482 K HN -0.056 nan 8.250 nan 0.000 0.498 1483 E N -1.329 118.987 120.200 0.194 0.000 2.212 1483 E HA 0.314 4.660 4.350 -0.006 0.000 0.270 1483 E C 0.046 176.707 176.600 0.101 0.000 0.956 1483 E CA 0.191 56.667 56.400 0.127 0.000 0.825 1483 E CB 1.608 31.352 29.700 0.073 0.000 1.167 1483 E HN 0.701 nan 8.360 nan 0.000 0.400 1484 G N 1.500 110.318 108.800 0.030 0.000 2.159 1484 G HA2 -0.289 3.667 3.960 -0.006 0.000 0.256 1484 G HA3 -0.289 3.667 3.960 -0.006 0.000 0.256 1484 G C 0.291 175.134 174.900 -0.095 0.000 0.977 1484 G CA 0.022 45.098 45.100 -0.039 0.000 0.652 1484 G HN 0.735 nan 8.290 nan 0.000 0.531 1485 A N 0.388 123.173 122.820 -0.059 0.000 2.498 1485 A HA 0.626 4.942 4.320 -0.006 0.000 0.239 1485 A C 1.109 178.640 177.584 -0.089 0.000 1.068 1485 A CA 1.028 53.003 52.037 -0.102 0.000 0.766 1485 A CB 0.238 19.248 19.000 0.016 0.000 1.003 1485 A HN 2.008 nan 8.150 nan 0.000 0.497 1486 S N 1.061 116.708 115.700 -0.087 0.000 2.617 1486 S HA 0.261 4.728 4.470 -0.006 0.000 0.269 1486 S C 0.823 175.396 174.600 -0.045 0.000 1.292 1486 S CA 0.204 58.370 58.200 -0.057 0.000 1.010 1486 S CB 1.164 64.338 63.200 -0.044 0.000 0.944 1486 S HN 0.770 nan 8.310 nan 0.000 0.536 1487 E N 0.670 120.849 120.200 -0.034 0.000 2.267 1487 E HA -0.216 4.131 4.350 -0.006 0.000 0.197 1487 E C 1.704 178.290 176.600 -0.024 0.000 0.998 1487 E CA 1.768 58.152 56.400 -0.027 0.000 0.830 1487 E CB -0.230 29.462 29.700 -0.013 0.000 0.751 1487 E HN 0.826 nan 8.360 nan 0.000 0.491 1488 E N 0.039 120.230 120.200 -0.015 0.000 2.072 1488 E HA -0.197 4.149 4.350 -0.006 0.000 0.190 1488 E C 1.863 178.435 176.600 -0.048 0.000 0.982 1488 E CA 1.007 57.398 56.400 -0.014 0.000 0.803 1488 E CB -0.063 29.653 29.700 0.028 0.000 0.755 1488 E HN 0.402 nan 8.360 nan 0.000 0.453 1489 E N 0.158 120.351 120.200 -0.012 0.000 2.152 1489 E HA -0.112 4.235 4.350 -0.006 0.000 0.192 1489 E C 2.173 178.742 176.600 -0.053 0.000 0.983 1489 E CA 0.511 56.900 56.400 -0.019 0.000 0.818 1489 E CB 0.073 29.823 29.700 0.084 0.000 0.758 1489 E HN 0.317 nan 8.360 nan 0.000 0.467 1490 I N 0.374 120.895 120.570 -0.082 0.000 2.252 1490 I HA -0.249 3.918 4.170 -0.006 0.000 0.245 1490 I C 2.457 178.573 176.117 -0.003 0.000 1.102 1490 I CA 0.977 62.192 61.300 -0.141 0.000 1.385 1490 I CB -0.150 37.749 38.000 -0.169 0.000 1.064 1490 I HN 0.016 nan 8.210 nan 0.000 0.414 1491 R N 0.091 120.582 120.500 -0.014 0.000 2.148 1491 R HA -0.135 4.201 4.340 -0.006 0.000 0.227 1491 R C 2.206 178.485 176.300 -0.037 0.000 1.103 1491 R CA 0.948 57.046 56.100 -0.004 0.000 0.983 1491 R CB -0.256 30.033 30.300 -0.018 0.000 0.874 1491 R HN 0.232 nan 8.270 nan 0.000 0.451 1492 L N 0.272 121.441 121.223 -0.091 0.000 2.072 1492 L HA -0.085 4.251 4.340 -0.006 0.000 0.205 1492 L C 2.259 179.096 176.870 -0.054 0.000 1.079 1492 L CA 1.770 56.537 54.840 -0.122 0.000 0.752 1492 L CB -0.649 41.229 42.059 -0.301 0.000 0.906 1492 L HN -0.005 nan 8.230 nan 0.000 0.436 1493 S N -0.680 115.013 115.700 -0.013 0.000 2.356 1493 S HA -0.231 4.236 4.470 -0.006 0.000 0.223 1493 S C 2.099 176.708 174.600 0.015 0.000 1.032 1493 S CA 1.588 59.806 58.200 0.030 0.000 1.005 1493 S CB -0.230 63.067 63.200 0.161 0.000 0.867 1493 S HN 0.536 nan 8.310 nan 0.000 0.449 1494 K N 0.307 120.749 120.400 0.070 0.000 2.097 1494 K HA -0.085 4.231 4.320 -0.006 0.000 0.206 1494 K C 2.326 178.893 176.600 -0.055 0.000 1.049 1494 K CA 1.632 57.926 56.287 0.011 0.000 0.933 1494 K CB -0.278 32.271 32.500 0.082 0.000 0.717 1494 K HN 0.480 nan 8.250 nan 0.000 0.442 1495 M N 0.761 120.316 119.600 -0.075 0.000 2.099 1495 M HA -0.165 4.312 4.480 -0.006 0.000 0.262 1495 M C 1.959 178.183 176.300 -0.128 0.000 1.067 1495 M CA 1.488 56.684 55.300 -0.172 0.000 1.124 1495 M CB 0.076 32.586 32.600 -0.150 0.000 1.353 1495 M HN -0.071 nan 8.290 nan 0.000 0.410 1496 V N 1.017 120.911 119.914 -0.033 0.000 2.295 1496 V HA -0.322 3.794 4.120 -0.006 0.000 0.246 1496 V C 2.425 178.512 176.094 -0.012 0.000 1.049 1496 V CA 2.052 64.344 62.300 -0.013 0.000 1.024 1496 V CB -0.700 30.928 31.823 -0.325 0.000 0.648 1496 V HN 0.566 nan 8.190 nan 0.000 0.447 1497 M N -0.916 118.617 119.600 -0.111 0.000 2.159 1497 M HA -0.182 4.294 4.480 -0.006 0.000 0.263 1497 M C 2.333 178.671 176.300 0.063 0.000 1.063 1497 M CA 1.698 56.951 55.300 -0.079 0.000 1.110 1497 M CB -0.510 32.000 32.600 -0.149 0.000 1.374 1497 M HN 0.235 nan 8.290 nan 0.000 0.411 1498 K N 0.112 120.531 120.400 0.032 0.000 2.026 1498 K HA -0.099 4.218 4.320 -0.006 0.000 0.208 1498 K C 1.872 178.579 176.600 0.179 0.000 1.048 1498 K CA 1.545 57.854 56.287 0.036 0.000 0.929 1498 K CB -0.315 32.129 32.500 -0.094 0.000 0.713 1498 K HN 0.308 nan 8.250 nan 0.000 0.439 1499 F N -0.195 119.895 119.950 0.234 0.000 2.095 1499 F HA -0.265 4.259 4.527 -0.006 0.000 0.298 1499 F C 2.497 178.448 175.800 0.251 0.000 1.104 1499 F CA 0.666 58.845 58.000 0.298 0.000 1.232 1499 F CB -0.178 39.165 39.000 0.572 0.000 0.987 1499 F HN 0.263 nan 8.300 nan 0.000 0.475 1500 W N 0.095 121.496 121.300 0.169 0.000 2.355 1500 W HA -0.233 4.423 4.660 -0.006 0.000 0.309 1500 W C 2.607 179.130 176.519 0.006 0.000 1.206 1500 W CA 1.139 58.497 57.345 0.022 0.000 1.284 1500 W CB -0.586 28.823 29.460 -0.084 0.000 1.145 1500 W HN -0.013 nan 8.180 nan 0.000 0.502 1501 A N 0.377 123.323 122.820 0.210 0.000 1.969 1501 A HA -0.194 4.122 4.320 -0.006 0.000 0.218 1501 A C 1.688 179.310 177.584 0.064 0.000 1.169 1501 A CA 1.661 53.746 52.037 0.080 0.000 0.635 1501 A CB -0.882 18.149 19.000 0.051 0.000 0.810 1501 A HN 0.231 nan 8.150 nan 0.000 0.445 1502 N N -0.804 117.960 118.700 0.107 0.000 2.142 1502 N HA -0.123 4.613 4.740 -0.006 0.000 0.186 1502 N C 1.372 176.898 175.510 0.026 0.000 1.023 1502 N CA 1.363 54.457 53.050 0.073 0.000 0.852 1502 N CB -0.608 37.954 38.487 0.125 0.000 0.998 1502 N HN 0.506 nan 8.380 nan 0.000 0.424 1503 F N 1.803 121.662 119.950 -0.152 0.000 2.134 1503 F HA -0.091 4.432 4.527 -0.006 0.000 0.299 1503 F C 2.160 177.859 175.800 -0.169 0.000 1.097 1503 F CA 1.224 59.066 58.000 -0.264 0.000 1.264 1503 F CB -0.562 38.173 39.000 -0.440 0.000 1.001 1503 F HN 0.038 nan 8.300 nan 0.000 0.479 1504 A N 1.318 124.071 122.820 -0.113 0.000 1.883 1504 A HA -0.243 4.073 4.320 -0.006 0.000 0.217 1504 A C 2.264 179.749 177.584 -0.165 0.000 1.186 1504 A CA 2.147 54.087 52.037 -0.161 0.000 0.624 1504 A CB -0.779 18.174 19.000 -0.077 0.000 0.822 1504 A HN 0.595 nan 8.150 nan 0.000 0.444 1505 R N -1.683 118.750 120.500 -0.113 0.000 2.246 1505 R HA 0.176 4.513 4.340 -0.006 0.000 0.199 1505 R C 0.592 176.823 176.300 -0.115 0.000 0.984 1505 R CA 1.059 57.103 56.100 -0.092 0.000 1.015 1505 R CB -0.083 30.191 30.300 -0.044 0.000 0.930 1505 R HN 0.420 nan 8.270 nan 0.000 0.475 1506 N N -0.422 118.185 118.700 -0.155 0.000 2.211 1506 N HA 0.081 4.817 4.740 -0.006 0.000 0.216 1506 N C 0.751 176.140 175.510 -0.201 0.000 1.240 1506 N CA 0.888 53.857 53.050 -0.136 0.000 0.895 1506 N CB 1.744 40.190 38.487 -0.067 0.000 1.102 1506 N HN 0.380 nan 8.380 nan 0.000 0.498 1507 G N 1.466 110.015 108.800 -0.417 0.000 2.157 1507 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.248 1507 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.248 1507 G C -0.152 174.650 174.900 -0.165 0.000 0.979 1507 G CA 0.154 44.918 45.100 -0.561 0.000 0.650 1507 G HN 0.405 nan 8.290 nan 0.000 0.529 1508 N N -0.134 118.497 118.700 -0.116 0.000 2.371 1508 N HA 0.455 5.192 4.740 -0.006 0.000 0.291 1508 N C -1.648 173.751 175.510 -0.185 0.000 1.053 1508 N CA -1.538 51.431 53.050 -0.135 0.000 0.870 1508 N CB 2.612 41.101 38.487 0.004 0.000 1.503 1508 N HN -0.040 nan 8.380 nan 0.000 0.485 1509 P HA -0.023 nan 4.420 nan 0.000 0.229 1509 P C -0.276 177.117 177.300 0.156 0.000 1.160 1509 P CA 0.395 63.340 63.100 -0.259 0.000 0.777 1509 P CB 0.376 31.515 31.700 -0.935 0.000 0.814 1510 N N 0.884 119.625 118.700 0.069 0.000 2.454 1510 N HA 0.279 5.015 4.740 -0.006 0.000 0.254 1510 N C 0.901 176.531 175.510 0.199 0.000 1.228 1510 N CA 1.076 54.271 53.050 0.243 0.000 0.900 1510 N CB 0.641 39.239 38.487 0.186 0.000 1.089 1510 N HN 0.155 nan 8.380 nan 0.000 0.449 1511 G N 0.185 109.109 108.800 0.207 0.000 2.495 1511 G HA2 0.299 4.256 3.960 -0.006 0.000 0.294 1511 G HA3 0.299 4.256 3.960 -0.006 0.000 0.294 1511 G C -1.319 173.642 174.900 0.102 0.000 1.397 1511 G CA -0.753 44.422 45.100 0.125 0.000 0.790 1511 G HN 0.554 nan 8.290 nan 0.000 0.486 1512 E N -0.803 119.438 120.200 0.068 0.000 2.413 1512 E HA 0.421 4.767 4.350 -0.006 0.000 0.263 1512 E C 1.094 177.711 176.600 0.029 0.000 1.015 1512 E CA 0.721 57.153 56.400 0.053 0.000 0.916 1512 E CB 0.802 30.526 29.700 0.040 0.000 0.947 1512 E HN 2.215 nan 8.360 nan 0.000 0.440 1513 G N 2.008 110.825 108.800 0.029 0.000 2.143 1513 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.248 1513 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.248 1513 G C -0.279 174.605 174.900 -0.027 0.000 0.991 1513 G CA 0.349 45.451 45.100 0.003 0.000 0.689 1513 G HN 0.441 nan 8.290 nan 0.000 0.522 1514 L N 0.412 121.638 121.223 0.006 0.000 2.409 1514 L HA 0.593 4.930 4.340 -0.006 0.000 0.262 1514 L C -1.795 175.173 176.870 0.164 0.000 0.992 1514 L CA -2.408 52.418 54.840 -0.023 0.000 0.817 1514 L CB 2.145 44.085 42.059 -0.199 0.000 1.350 1514 L HN -0.072 nan 8.230 nan 0.000 0.411 1515 P HA 0.006 nan 4.420 nan 0.000 0.270 1515 P C -0.975 176.558 177.300 0.389 0.000 1.223 1515 P CA -0.178 63.079 63.100 0.262 0.000 0.785 1515 P CB 0.425 32.251 31.700 0.209 0.000 0.923 1516 H N 1.623 120.831 119.070 0.230 0.000 2.955 1516 H HA 0.106 4.659 4.556 -0.006 0.000 0.290 1516 H C -0.778 174.713 175.328 0.271 0.000 1.047 1516 H CA 0.029 56.227 56.048 0.251 0.000 1.484 1516 H CB 0.045 29.911 29.762 0.173 0.000 1.501 1516 H HN 0.361 nan 8.280 nan 0.000 0.521 1517 W N 10.203 131.235 121.300 -0.447 0.000 2.311 1517 W HA 0.273 4.929 4.660 -0.006 0.000 0.317 1517 W C -2.714 173.535 176.519 -0.451 0.000 1.065 1517 W CA -3.177 53.943 57.345 -0.374 0.000 1.364 1517 W CB 0.603 29.780 29.460 -0.472 0.000 1.233 1517 W HN 0.575 nan 8.180 nan 0.000 0.409 1518 P HA 0.039 nan 4.420 nan 0.000 0.274 1518 P C -0.306 177.196 177.300 0.337 0.000 1.231 1518 P CA 0.140 63.393 63.100 0.254 0.000 0.790 1518 P CB 1.419 33.286 31.700 0.279 0.000 0.951 1519 E N 1.357 121.633 120.200 0.127 0.000 2.390 1519 E HA -0.010 4.336 4.350 -0.006 0.000 0.261 1519 E C -0.877 175.681 176.600 -0.069 0.000 1.076 1519 E CA -0.517 55.714 56.400 -0.282 0.000 0.905 1519 E CB 0.252 29.762 29.700 -0.316 0.000 0.984 1519 E HN 0.374 nan 8.360 nan 0.000 0.427 1520 Y N 5.171 125.321 120.300 -0.250 0.000 2.667 1520 Y HA 0.088 4.634 4.550 -0.006 0.000 0.340 1520 Y C -0.285 175.583 175.900 -0.053 0.000 1.303 1520 Y CA -0.572 57.495 58.100 -0.056 0.000 1.769 1520 Y CB -0.778 37.668 38.460 -0.023 0.000 1.804 1520 Y HN 0.467 nan 8.280 nan 0.000 0.451 1521 N N -0.236 118.355 118.700 -0.183 0.000 2.547 1521 N HA 0.032 4.768 4.740 -0.006 0.000 0.301 1521 N C 0.915 176.285 175.510 -0.233 0.000 1.328 1521 N CA -0.214 52.746 53.050 -0.149 0.000 0.932 1521 N CB 0.118 38.556 38.487 -0.082 0.000 1.104 1521 N HN 0.210 nan 8.380 nan 0.000 0.548 1522 Q N -0.224 119.495 119.800 -0.135 0.000 2.170 1522 Q HA -0.052 4.285 4.340 -0.006 0.000 0.203 1522 Q C 1.196 177.112 176.000 -0.140 0.000 0.976 1522 Q CA 1.388 57.118 55.803 -0.122 0.000 0.858 1522 Q CB -0.400 28.301 28.738 -0.062 0.000 0.907 1522 Q HN 0.620 nan 8.270 nan 0.000 0.433 1523 K N 0.707 121.033 120.400 -0.124 0.000 2.439 1523 K HA -0.056 4.260 4.320 -0.006 0.000 0.197 1523 K C -0.028 176.491 176.600 -0.135 0.000 1.041 1523 K CA 0.064 56.298 56.287 -0.088 0.000 0.970 1523 K CB 0.132 32.609 32.500 -0.039 0.000 0.773 1523 K HN 0.234 nan 8.250 nan 0.000 0.479 1524 E N -0.051 119.943 120.200 -0.344 0.000 2.297 1524 E HA -0.163 4.183 4.350 -0.006 0.000 0.228 1524 E C -0.082 176.468 176.600 -0.083 0.000 1.213 1524 E CA 0.165 56.190 56.400 -0.625 0.000 0.712 1524 E CB -1.627 27.841 29.700 -0.386 0.000 1.202 1524 E HN 0.495 nan 8.360 nan 0.000 0.376 1525 G N 0.898 109.707 108.800 0.015 0.000 2.370 1525 G HA2 0.421 4.378 3.960 -0.006 0.000 0.272 1525 G HA3 0.421 4.378 3.960 -0.006 0.000 0.272 1525 G C -0.267 174.870 174.900 0.396 0.000 1.208 1525 G CA -0.267 44.944 45.100 0.185 0.000 0.856 1525 G HN 0.287 nan 8.290 nan 0.000 0.500 1526 Y N 0.864 121.299 120.300 0.226 0.000 2.686 1526 Y HA 0.795 5.342 4.550 -0.006 0.000 0.330 1526 Y C -0.978 174.926 175.900 0.007 0.000 1.082 1526 Y CA -1.954 56.281 58.100 0.224 0.000 1.158 1526 Y CB 1.733 40.316 38.460 0.206 0.000 1.333 1526 Y HN 0.469 nan 8.280 nan 0.000 0.519 1527 L N 1.961 123.094 121.223 -0.148 0.000 2.322 1527 L HA 0.440 4.776 4.340 -0.006 0.000 0.281 1527 L C -1.040 175.706 176.870 -0.206 0.000 1.014 1527 L CA -0.577 53.950 54.840 -0.523 0.000 0.815 1527 L CB 1.801 42.995 42.059 -1.442 0.000 1.247 1527 L HN 0.751 nan 8.230 nan 0.000 0.421 1528 Q N 6.080 125.761 119.800 -0.199 0.000 2.360 1528 Q HA 0.480 4.817 4.340 -0.006 0.000 0.254 1528 Q C -1.058 174.912 176.000 -0.051 0.000 0.975 1528 Q CA -0.164 55.626 55.803 -0.023 0.000 0.912 1528 Q CB 1.625 30.342 28.738 -0.035 0.000 1.212 1528 Q HN 0.586 nan 8.270 nan 0.000 0.452 1529 I N 1.878 122.451 120.570 0.005 0.000 2.336 1529 I HA 0.669 4.836 4.170 -0.006 0.000 0.292 1529 I C 0.621 176.649 176.117 -0.148 0.000 0.991 1529 I CA -0.289 61.005 61.300 -0.010 0.000 1.227 1529 I CB 1.538 39.612 38.000 0.123 0.000 1.366 1529 I HN 0.765 nan 8.210 nan 0.000 0.466 1530 G N 3.244 111.951 108.800 -0.155 0.000 2.474 1530 G HA2 0.383 4.340 3.960 -0.006 0.000 0.234 1530 G HA3 0.383 4.340 3.960 -0.006 0.000 0.234 1530 G C 0.286 175.092 174.900 -0.156 0.000 1.204 1530 G CA 0.152 45.119 45.100 -0.222 0.000 0.939 1530 G HN 0.524 nan 8.290 nan 0.000 0.491 1531 A N -0.608 122.193 122.820 -0.032 0.000 1.972 1531 A HA 0.165 4.481 4.320 -0.006 0.000 0.219 1531 A C 0.846 178.417 177.584 -0.021 0.000 1.169 1531 A CA 1.411 53.446 52.037 -0.004 0.000 0.635 1531 A CB -0.355 18.708 19.000 0.104 0.000 0.810 1531 A HN 0.422 nan 8.150 nan 0.000 0.446 1532 N N 0.575 119.265 118.700 -0.017 0.000 2.573 1532 N HA 0.252 4.989 4.740 -0.006 0.000 0.262 1532 N C -1.433 174.064 175.510 -0.021 0.000 1.029 1532 N CA -0.018 53.024 53.050 -0.013 0.000 0.882 1532 N CB 1.439 39.923 38.487 -0.005 0.000 1.204 1532 N HN 0.033 nan 8.380 nan 0.000 0.519 1533 T N 2.960 117.506 114.554 -0.014 0.000 2.771 1533 T HA 0.359 4.706 4.350 -0.006 0.000 0.291 1533 T C 0.229 174.924 174.700 -0.008 0.000 0.954 1533 T CA -0.461 61.632 62.100 -0.011 0.000 1.045 1533 T CB 0.921 69.808 68.868 0.033 0.000 0.917 1533 T HN 0.446 nan 8.240 nan 0.000 0.484 1534 Q N 1.509 121.279 119.800 -0.050 0.000 2.575 1534 Q HA 0.652 4.988 4.340 -0.006 0.000 0.290 1534 Q C -1.555 174.367 176.000 -0.130 0.000 0.963 1534 Q CA -1.175 54.597 55.803 -0.051 0.000 0.783 1534 Q CB 1.501 30.221 28.738 -0.030 0.000 1.467 1534 Q HN 0.595 nan 8.270 nan 0.000 0.402 1535 A N 0.569 123.328 122.820 -0.102 0.000 2.332 1535 A HA 0.839 5.156 4.320 -0.006 0.000 0.258 1535 A C -0.279 177.160 177.584 -0.243 0.000 1.087 1535 A CA 0.524 52.460 52.037 -0.167 0.000 0.802 1535 A CB 0.337 19.324 19.000 -0.021 0.000 1.042 1535 A HN 1.205 nan 8.150 nan 0.000 0.489 1536 A N 0.334 122.899 122.820 -0.424 0.000 2.529 1536 A HA 0.750 5.066 4.320 -0.006 0.000 0.296 1536 A C -0.921 176.483 177.584 -0.300 0.000 1.205 1536 A CA -0.563 51.218 52.037 -0.426 0.000 0.671 1536 A CB 0.978 19.568 19.000 -0.683 0.000 1.301 1536 A HN 0.833 nan 8.150 nan 0.000 0.450 1537 Q N -0.225 119.568 119.800 -0.012 0.000 2.456 1537 Q HA 0.528 4.864 4.340 -0.006 0.000 0.283 1537 Q C -1.346 174.869 176.000 0.359 0.000 1.084 1537 Q CA -1.002 54.919 55.803 0.197 0.000 0.801 1537 Q CB 2.095 30.887 28.738 0.090 0.000 1.434 1537 Q HN 0.655 nan 8.270 nan 0.000 0.419 1538 K N 1.077 121.657 120.400 0.300 0.000 3.451 1538 K HA -0.217 4.099 4.320 -0.006 0.000 0.273 1538 K C -0.497 176.220 176.600 0.194 0.000 0.944 1538 K CA 0.020 56.436 56.287 0.215 0.000 0.734 1538 K CB -1.295 31.283 32.500 0.131 0.000 1.437 1538 K HN 0.431 nan 8.250 nan 0.000 0.454 1539 L N 1.703 122.979 121.223 0.088 0.000 2.559 1539 L HA -0.033 4.303 4.340 -0.006 0.000 0.274 1539 L C 0.564 177.386 176.870 -0.080 0.000 1.205 1539 L CA 0.751 55.415 54.840 -0.294 0.000 0.907 1539 L CB 0.310 41.781 42.059 -0.981 0.000 1.153 1539 L HN 0.327 nan 8.230 nan 0.000 0.490 1540 K N 2.809 123.193 120.400 -0.027 0.000 3.020 1540 K HA -0.293 4.024 4.320 -0.006 0.000 0.266 1540 K C 0.945 177.600 176.600 0.093 0.000 1.067 1540 K CA 1.181 57.498 56.287 0.049 0.000 0.780 1540 K CB -1.531 30.993 32.500 0.041 0.000 1.220 1540 K HN 0.940 nan 8.250 nan 0.000 0.483 1541 D N 1.144 121.599 120.400 0.090 0.000 2.104 1541 D HA -0.153 4.483 4.640 -0.006 0.000 0.194 1541 D C 1.492 177.856 176.300 0.107 0.000 0.994 1541 D CA 1.214 55.274 54.000 0.101 0.000 0.830 1541 D CB 0.449 41.304 40.800 0.091 0.000 0.959 1541 D HN 0.225 nan 8.370 nan 0.000 0.452 1542 K N 0.688 121.144 120.400 0.094 0.000 1.984 1542 K HA -0.130 4.186 4.320 -0.006 0.000 0.209 1542 K C 2.209 178.900 176.600 0.151 0.000 1.046 1542 K CA 0.955 57.294 56.287 0.086 0.000 0.934 1542 K CB -0.704 31.815 32.500 0.032 0.000 0.717 1542 K HN 0.147 nan 8.250 nan 0.000 0.438 1543 E N 0.918 121.233 120.200 0.191 0.000 2.086 1543 E HA -0.169 4.177 4.350 -0.006 0.000 0.200 1543 E C 2.117 178.999 176.600 0.470 0.000 1.012 1543 E CA 1.287 57.917 56.400 0.383 0.000 0.812 1543 E CB -0.671 29.281 29.700 0.420 0.000 0.743 1543 E HN -0.003 nan 8.360 nan 0.000 0.453 1544 V N 0.946 121.046 119.914 0.310 0.000 2.287 1544 V HA -0.331 3.786 4.120 -0.006 0.000 0.248 1544 V C 2.216 178.449 176.094 0.232 0.000 1.053 1544 V CA 1.956 64.416 62.300 0.266 0.000 1.027 1544 V CB -0.990 30.937 31.823 0.173 0.000 0.646 1544 V HN 0.406 nan 8.190 nan 0.000 0.447 1545 A N -0.266 122.663 122.820 0.182 0.000 1.865 1545 A HA -0.257 4.060 4.320 -0.006 0.000 0.217 1545 A C 2.116 179.768 177.584 0.114 0.000 1.191 1545 A CA 2.186 54.300 52.037 0.129 0.000 0.623 1545 A CB -0.788 18.275 19.000 0.105 0.000 0.826 1545 A HN 0.522 nan 8.150 nan 0.000 0.444 1546 F N -0.649 119.282 119.950 -0.030 0.000 2.025 1546 F HA -0.230 4.294 4.527 -0.006 0.000 0.297 1546 F C 2.068 177.731 175.800 -0.228 0.000 1.132 1546 F CA 1.974 59.864 58.000 -0.184 0.000 1.191 1546 F CB -0.866 37.938 39.000 -0.327 0.000 0.963 1546 F HN 0.388 nan 8.300 nan 0.000 0.481 1547 W N 0.511 121.697 121.300 -0.189 0.000 2.342 1547 W HA -0.174 4.482 4.660 -0.006 0.000 0.297 1547 W C 2.636 179.001 176.519 -0.256 0.000 1.213 1547 W CA 1.777 58.885 57.345 -0.395 0.000 1.251 1547 W CB -1.132 28.284 29.460 -0.074 0.000 1.136 1547 W HN -0.062 nan 8.180 nan 0.000 0.526 1548 T N -0.127 114.516 114.554 0.148 0.000 2.746 1548 T HA -0.264 4.083 4.350 -0.006 0.000 0.267 1548 T C 1.441 176.162 174.700 0.035 0.000 1.039 1548 T CA 1.768 63.954 62.100 0.144 0.000 1.142 1548 T CB -0.592 68.350 68.868 0.123 0.000 0.866 1548 T HN 0.152 nan 8.240 nan 0.000 0.444 1549 N N 0.689 119.348 118.700 -0.069 0.000 2.223 1549 N HA -0.055 4.682 4.740 -0.006 0.000 0.185 1549 N C 1.657 177.045 175.510 -0.204 0.000 1.016 1549 N CA 0.707 53.689 53.050 -0.114 0.000 0.863 1549 N CB -0.341 38.075 38.487 -0.118 0.000 0.983 1549 N HN 0.221 nan 8.380 nan 0.000 0.429 1550 L N -0.464 120.506 121.223 -0.422 0.000 2.007 1550 L HA 0.177 4.514 4.340 -0.006 0.000 0.205 1550 L C 1.552 178.298 176.870 -0.205 0.000 1.073 1550 L CA 1.545 56.092 54.840 -0.488 0.000 0.744 1550 L CB -0.959 40.517 42.059 -0.971 0.000 0.898 1550 L HN 0.180 nan 8.230 nan 0.000 0.435 1551 F N -0.228 119.705 119.950 -0.029 0.000 2.529 1551 F HA -0.125 4.399 4.527 -0.005 0.000 0.297 1551 F C 2.134 177.937 175.800 0.005 0.000 1.114 1551 F CA 0.314 58.329 58.000 0.024 0.000 1.467 1551 F CB -0.383 38.650 39.000 0.054 0.000 1.096 1551 F HN 0.267 nan 8.300 nan 0.000 0.586 1552 A N 0.231 123.129 122.820 0.130 0.000 2.251 1552 A HA 0.065 4.381 4.320 -0.006 0.000 0.209 1552 A C 1.005 178.619 177.584 0.051 0.000 1.187 1552 A CA 0.009 52.093 52.037 0.078 0.000 0.823 1552 A CB -0.431 18.593 19.000 0.040 0.000 0.846 1552 A HN 0.361 nan 8.150 nan 0.000 0.486 1553 K N 0.000 120.432 120.400 0.053 0.000 2.780 1553 K HA 0.000 4.316 4.320 -0.006 0.000 0.191 1553 K CA 0.000 56.307 56.287 0.034 0.000 0.838 1553 K CB 0.000 32.535 32.500 0.057 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543