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 1mx9_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 0.000 174.660 174.600 0.100 0.000 1.055 1021 S CA 0.000 58.234 58.200 0.056 0.000 1.107 1021 S CB 0.000 63.220 63.200 0.034 0.000 0.593 1022 S N 0.568 116.349 115.700 0.136 0.000 2.578 1022 S HA 0.899 5.367 4.470 -0.003 0.000 0.301 1022 S C -2.924 171.790 174.600 0.191 0.000 1.091 1022 S CA -1.490 56.788 58.200 0.130 0.000 1.032 1022 S CB 0.306 63.561 63.200 0.092 0.000 1.064 1022 S HN 0.205 nan 8.310 nan 0.000 0.508 1023 P HA 0.234 nan 4.420 nan 0.000 0.266 1023 P C -2.466 174.779 177.300 -0.092 0.000 1.195 1023 P CA -0.825 62.254 63.100 -0.036 0.000 0.768 1023 P CB -0.249 31.418 31.700 -0.055 0.000 0.838 1024 P HA 0.080 nan 4.420 nan 0.000 0.282 1024 P C -1.031 176.265 177.300 -0.007 0.000 1.274 1024 P CA 0.139 63.071 63.100 -0.279 0.000 0.770 1024 P CB 0.628 31.851 31.700 -0.795 0.000 0.867 1025 V N 5.013 124.968 119.914 0.067 0.000 2.448 1025 V HA 0.349 4.467 4.120 -0.003 0.000 0.295 1025 V C 0.387 176.504 176.094 0.039 0.000 1.025 1025 V CA -0.690 61.673 62.300 0.105 0.000 0.859 1025 V CB 2.150 34.022 31.823 0.081 0.000 0.988 1025 V HN 0.306 nan 8.190 nan 0.000 0.431 1026 V N 3.079 122.974 119.914 -0.033 0.000 2.680 1026 V HA 0.481 4.600 4.120 -0.003 0.000 0.309 1026 V C -0.665 175.337 176.094 -0.153 0.000 1.052 1026 V CA -0.631 61.523 62.300 -0.245 0.000 0.908 1026 V CB 2.324 33.679 31.823 -0.780 0.000 1.001 1026 V HN 0.852 nan 8.190 nan 0.000 0.431 1027 D N 2.614 122.927 120.400 -0.145 0.000 2.329 1027 D HA 0.405 5.043 4.640 -0.003 0.000 0.232 1027 D C 0.199 176.438 176.300 -0.103 0.000 1.088 1027 D CA 0.034 53.989 54.000 -0.075 0.000 0.835 1027 D CB 1.849 42.612 40.800 -0.062 0.000 1.078 1027 D HN 0.773 nan 8.370 nan 0.000 0.495 1028 T N -0.788 113.747 114.554 -0.032 0.000 2.852 1028 T HA 0.232 4.580 4.350 -0.003 0.000 0.281 1028 T C 1.668 176.263 174.700 -0.175 0.000 0.993 1028 T CA -0.614 61.464 62.100 -0.036 0.000 0.933 1028 T CB 0.644 69.641 68.868 0.216 0.000 1.187 1028 T HN 0.030 nan 8.240 nan 0.000 0.559 1029 V N 1.033 120.778 119.914 -0.282 0.000 2.427 1029 V HA -0.101 4.018 4.120 -0.003 0.000 0.248 1029 V C 2.161 178.046 176.094 -0.347 0.000 1.051 1029 V CA 1.512 63.606 62.300 -0.344 0.000 1.048 1029 V CB -1.107 30.433 31.823 -0.471 0.000 0.666 1029 V HN 0.836 nan 8.190 nan 0.000 0.456 1030 H N 0.121 118.976 119.070 -0.359 0.000 2.524 1030 H HA 0.510 5.066 4.556 0.001 0.000 0.280 1030 H C 0.952 175.429 175.328 -1.419 0.000 1.018 1030 H CA 0.722 56.346 56.048 -0.707 0.000 1.165 1030 H CB 0.017 29.384 29.762 -0.659 0.000 1.411 1030 H HN 0.506 nan 8.280 nan 0.000 0.569 1031 G N 0.468 108.754 108.800 -0.857 0.000 2.340 1031 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.527 1031 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.527 1031 G C -1.152 173.682 174.900 -0.110 0.000 1.381 1031 G CA -1.234 43.369 45.100 -0.828 0.000 1.001 1031 G HN 0.103 nan 8.290 nan 0.000 0.626 1032 K N -0.565 119.941 120.400 0.177 0.000 2.295 1032 K HA 0.542 4.861 4.320 -0.003 0.000 0.270 1032 K C 0.542 177.453 176.600 0.518 0.000 1.011 1032 K CA -0.249 56.211 56.287 0.289 0.000 0.953 1032 K CB 1.535 34.162 32.500 0.212 0.000 0.956 1032 K HN 1.115 nan 8.250 nan 0.000 0.477 1033 V N -0.076 120.047 119.914 0.349 0.000 2.823 1033 V HA 0.533 4.651 4.120 -0.003 0.000 0.312 1033 V C -1.002 175.278 176.094 0.310 0.000 1.072 1033 V CA -1.144 61.364 62.300 0.346 0.000 0.937 1033 V CB 1.882 33.927 31.823 0.370 0.000 1.013 1033 V HN 0.588 nan 8.190 nan 0.000 0.430 1034 L N 3.709 125.111 121.223 0.299 0.000 2.372 1034 L HA 0.844 5.182 4.340 -0.003 0.000 0.273 1034 L C 0.291 177.250 176.870 0.148 0.000 0.989 1034 L CA 0.536 55.513 54.840 0.228 0.000 0.841 1034 L CB 0.845 42.968 42.059 0.106 0.000 1.225 1034 L HN 1.041 nan 8.230 nan 0.000 0.414 1035 G N 4.808 113.584 108.800 -0.039 0.000 2.849 1035 G HA2 0.577 4.535 3.960 -0.003 0.000 0.174 1035 G HA3 0.577 4.535 3.960 -0.003 0.000 0.174 1035 G C -0.975 173.621 174.900 -0.507 0.000 1.370 1035 G CA -0.415 44.336 45.100 -0.581 0.000 1.040 1035 G HN 0.669 nan 8.290 nan 0.000 0.582 1036 K N -1.264 118.768 120.400 -0.614 0.000 2.542 1036 K HA 0.532 4.851 4.320 -0.003 0.000 0.259 1036 K C -1.681 174.715 176.600 -0.340 0.000 0.932 1036 K CA -0.772 55.279 56.287 -0.392 0.000 0.820 1036 K CB 1.632 34.002 32.500 -0.217 0.000 1.345 1036 K HN 0.264 nan 8.250 nan 0.000 0.432 1037 F N 1.762 121.648 119.950 -0.106 0.000 2.412 1037 F HA 0.453 4.979 4.527 -0.002 0.000 0.348 1037 F C -0.077 175.708 175.800 -0.024 0.000 1.102 1037 F CA -0.505 57.463 58.000 -0.053 0.000 1.196 1037 F CB 1.648 40.638 39.000 -0.017 0.000 1.144 1037 F HN 0.128 nan 8.300 nan 0.000 0.541 1038 V N 2.012 122.063 119.914 0.229 0.000 2.888 1038 V HA 0.445 4.563 4.120 -0.003 0.000 0.309 1038 V C -0.980 175.201 176.094 0.145 0.000 1.114 1038 V CA -0.921 61.467 62.300 0.146 0.000 0.940 1038 V CB 2.341 34.234 31.823 0.117 0.000 1.021 1038 V HN 0.760 nan 8.190 nan 0.000 0.426 1039 S N 3.752 119.522 115.700 0.117 0.000 2.521 1039 S HA 0.841 5.310 4.470 -0.003 0.000 0.295 1039 S C -1.011 173.664 174.600 0.125 0.000 1.098 1039 S CA -0.665 57.604 58.200 0.115 0.000 0.999 1039 S CB 2.054 65.312 63.200 0.097 0.000 1.034 1039 S HN 0.615 nan 8.310 nan 0.000 0.483 1040 L N 1.984 123.292 121.223 0.141 0.000 2.399 1040 L HA 0.481 4.819 4.340 -0.003 0.000 0.266 1040 L C 0.501 177.534 176.870 0.271 0.000 1.114 1040 L CA -0.264 54.681 54.840 0.174 0.000 0.804 1040 L CB 0.960 43.080 42.059 0.102 0.000 1.146 1040 L HN 0.948 nan 8.230 nan 0.000 0.451 1041 E N 2.222 122.583 120.200 0.268 0.000 2.415 1041 E HA 0.257 4.605 4.350 -0.003 0.000 0.262 1041 E C 0.854 177.634 176.600 0.300 0.000 1.038 1041 E CA 0.777 57.321 56.400 0.240 0.000 0.921 1041 E CB 0.247 30.066 29.700 0.198 0.000 0.950 1041 E HN 0.903 nan 8.360 nan 0.000 0.438 1042 G N 3.276 112.137 108.800 0.101 0.000 2.184 1042 G HA2 -0.281 3.678 3.960 -0.003 0.000 0.264 1042 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.264 1042 G C -0.219 174.386 174.900 -0.491 0.000 0.975 1042 G CA 0.359 45.367 45.100 -0.153 0.000 0.642 1042 G HN 0.416 nan 8.290 nan 0.000 0.536 1043 F N -0.122 119.819 119.950 -0.015 0.000 2.496 1043 F HA 0.693 5.219 4.527 -0.002 0.000 0.341 1043 F C 1.149 176.941 175.800 -0.014 0.000 1.134 1043 F CA -0.252 57.730 58.000 -0.030 0.000 0.968 1043 F CB 1.495 40.475 39.000 -0.035 0.000 1.205 1043 F HN 0.080 nan 8.300 nan 0.000 0.436 1044 A N 1.871 124.734 122.820 0.071 0.000 1.902 1044 A HA -0.156 4.162 4.320 -0.003 0.000 0.217 1044 A C 1.285 178.899 177.584 0.051 0.000 1.181 1044 A CA 1.035 53.095 52.037 0.039 0.000 0.623 1044 A CB -0.421 18.578 19.000 -0.002 0.000 0.818 1044 A HN 0.640 nan 8.150 nan 0.000 0.443 1045 Q N 1.417 121.268 119.800 0.084 0.000 2.286 1045 Q HA 0.269 4.608 4.340 -0.003 0.000 0.265 1045 Q C -2.323 173.723 176.000 0.076 0.000 1.080 1045 Q CA -2.330 53.510 55.803 0.062 0.000 0.906 1045 Q CB 0.449 29.238 28.738 0.085 0.000 1.227 1045 Q HN 0.399 nan 8.270 nan 0.000 0.409 1046 P HA 0.085 nan 4.420 nan 0.000 0.274 1046 P C -0.951 176.428 177.300 0.130 0.000 1.246 1046 P CA -0.384 62.745 63.100 0.049 0.000 0.795 1046 P CB 0.944 32.606 31.700 -0.063 0.000 1.006 1047 V N 1.023 121.053 119.914 0.193 0.000 2.398 1047 V HA 0.441 4.560 4.120 -0.003 0.000 0.286 1047 V C 0.537 176.823 176.094 0.319 0.000 1.026 1047 V CA -0.727 61.717 62.300 0.240 0.000 0.868 1047 V CB 0.978 32.919 31.823 0.198 0.000 0.982 1047 V HN 0.757 nan 8.190 nan 0.000 0.443 1048 A N 7.210 130.234 122.820 0.339 0.000 2.309 1048 A HA 0.745 5.063 4.320 -0.003 0.000 0.290 1048 A C -0.408 177.128 177.584 -0.080 0.000 1.206 1048 A CA -0.172 51.922 52.037 0.095 0.000 0.850 1048 A CB -0.067 19.042 19.000 0.181 0.000 1.118 1048 A HN 0.765 nan 8.150 nan 0.000 0.523 1049 I N 1.988 122.307 120.570 -0.417 0.000 2.474 1049 I HA 0.483 4.651 4.170 -0.003 0.000 0.294 1049 I C -1.238 174.379 176.117 -0.833 0.000 1.005 1049 I CA -0.391 60.627 61.300 -0.470 0.000 1.113 1049 I CB 1.907 39.711 38.000 -0.327 0.000 1.289 1049 I HN 0.550 nan 8.210 nan 0.000 0.436 1050 F N 5.885 125.700 119.950 -0.225 0.000 2.518 1050 F HA 0.552 5.077 4.527 -0.003 0.000 0.323 1050 F C -0.413 175.260 175.800 -0.212 0.000 1.129 1050 F CA -0.578 57.340 58.000 -0.137 0.000 0.920 1050 F CB 1.459 40.485 39.000 0.043 0.000 1.160 1050 F HN 0.071 nan 8.300 nan 0.000 0.440 1051 L N 2.499 123.681 121.223 -0.067 0.000 2.322 1051 L HA 0.690 5.029 4.340 -0.003 0.000 0.281 1051 L C 0.679 177.528 176.870 -0.035 0.000 1.014 1051 L CA -1.004 53.774 54.840 -0.103 0.000 0.815 1051 L CB 1.649 43.529 42.059 -0.298 0.000 1.247 1051 L HN 0.908 nan 8.230 nan 0.000 0.421 1052 G N 3.621 112.431 108.800 0.015 0.000 2.324 1052 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.292 1052 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.292 1052 G C -0.278 174.779 174.900 0.263 0.000 1.079 1052 G CA -0.312 44.820 45.100 0.054 0.000 1.026 1052 G HN 0.480 nan 8.290 nan 0.000 0.506 1053 I N 1.753 122.424 120.570 0.167 0.000 2.396 1053 I HA 0.302 4.471 4.170 -0.003 0.000 0.292 1053 I C -1.555 174.552 176.117 -0.017 0.000 0.999 1053 I CA -2.419 58.917 61.300 0.060 0.000 1.310 1053 I CB 1.660 39.614 38.000 -0.077 0.000 1.404 1053 I HN 0.016 nan 8.210 nan 0.000 0.496 1054 P HA 0.096 nan 4.420 nan 0.000 0.287 1054 P C -0.241 176.937 177.300 -0.203 0.000 1.281 1054 P CA -0.174 62.670 63.100 -0.427 0.000 0.781 1054 P CB 0.521 31.960 31.700 -0.436 0.000 0.903 1055 F N 1.598 121.343 119.950 -0.342 0.000 2.664 1055 F HA 0.726 5.255 4.527 0.003 0.000 0.303 1055 F C 0.076 175.886 175.800 0.016 0.000 1.092 1055 F CA -0.817 57.042 58.000 -0.234 0.000 1.305 1055 F CB 0.245 39.019 39.000 -0.376 0.000 1.054 1055 F HN 0.357 nan 8.300 nan 0.000 0.565 1056 A N 0.588 123.151 122.820 -0.428 0.000 2.608 1056 A HA 0.434 4.752 4.320 -0.003 0.000 0.292 1056 A C -1.254 176.150 177.584 -0.299 0.000 1.066 1056 A CA -1.160 50.697 52.037 -0.301 0.000 0.676 1056 A CB 0.750 19.492 19.000 -0.429 0.000 1.277 1056 A HN 0.192 nan 8.150 nan 0.000 0.413 1057 K N 1.095 121.385 120.400 -0.184 0.000 2.412 1057 K HA 0.350 4.669 4.320 -0.003 0.000 0.281 1057 K C -2.365 174.113 176.600 -0.203 0.000 1.027 1057 K CA -1.275 54.912 56.287 -0.166 0.000 0.989 1057 K CB 0.184 32.618 32.500 -0.110 0.000 0.935 1057 K HN 0.333 nan 8.250 nan 0.000 0.475 1058 P HA -0.059 nan 4.420 nan 0.000 0.260 1058 P C -2.435 174.771 177.300 -0.156 0.000 1.172 1058 P CA -0.698 62.290 63.100 -0.186 0.000 0.760 1058 P CB 0.167 31.786 31.700 -0.134 0.000 0.773 1059 P HA 0.107 nan 4.420 nan 0.000 0.225 1059 P C -0.687 176.525 177.300 -0.147 0.000 1.813 1059 P CA 0.362 63.365 63.100 -0.162 0.000 1.013 1059 P CB 0.101 31.699 31.700 -0.171 0.000 1.961 1060 L N 0.509 121.657 121.223 -0.126 0.000 2.352 1060 L HA 0.553 4.891 4.340 -0.003 0.000 0.269 1060 L C 1.753 178.555 176.870 -0.114 0.000 1.034 1060 L CA -0.321 54.455 54.840 -0.106 0.000 0.806 1060 L CB 0.765 42.776 42.059 -0.080 0.000 1.244 1060 L HN 0.336 nan 8.230 nan 0.000 0.447 1061 G N 1.895 110.631 108.800 -0.106 0.000 2.699 1061 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.347 1061 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.347 1061 G C -1.040 173.787 174.900 -0.121 0.000 1.225 1061 G CA 0.529 45.568 45.100 -0.101 0.000 0.973 1061 G HN 0.625 nan 8.290 nan 0.000 0.551 1062 P HA -0.027 nan 4.420 nan 0.000 0.219 1062 P C 2.046 179.276 177.300 -0.116 0.000 1.146 1062 P CA 1.644 64.701 63.100 -0.071 0.000 0.808 1062 P CB -0.157 31.518 31.700 -0.042 0.000 0.779 1063 L N -1.340 119.795 121.223 -0.147 0.000 2.478 1063 L HA 0.054 4.392 4.340 -0.003 0.000 0.223 1063 L C 1.839 178.525 176.870 -0.306 0.000 1.140 1063 L CA -0.021 54.703 54.840 -0.193 0.000 0.842 1063 L CB -0.501 41.461 42.059 -0.161 0.000 0.953 1063 L HN -0.031 nan 8.230 nan 0.000 0.452 1064 R N 0.563 120.845 120.500 -0.363 0.000 2.623 1064 R HA -0.063 4.275 4.340 -0.003 0.000 0.271 1064 R C -0.095 175.775 176.300 -0.716 0.000 1.043 1064 R CA -0.069 55.641 56.100 -0.649 0.000 1.083 1064 R CB 0.225 30.024 30.300 -0.835 0.000 0.974 1064 R HN 0.054 nan 8.270 nan 0.000 0.436 1065 F N -0.145 119.453 119.950 -0.586 0.000 3.074 1065 F HA -0.268 4.256 4.527 -0.005 0.000 0.289 1065 F C 0.084 174.988 175.800 -1.493 0.000 0.863 1065 F CA 1.437 58.865 58.000 -0.954 0.000 1.121 1065 F CB -2.669 36.215 39.000 -0.194 0.000 1.169 1065 F HN 0.661 nan 8.300 nan 0.000 0.570 1066 T N -3.721 110.012 114.554 -1.368 0.000 2.894 1066 T HA 0.733 5.081 4.350 -0.003 0.000 0.309 1066 T C -3.019 171.306 174.700 -0.624 0.000 1.208 1066 T CA -2.376 59.141 62.100 -0.972 0.000 1.016 1066 T CB 3.257 71.903 68.868 -0.370 0.000 1.192 1066 T HN -0.254 nan 8.240 nan 0.000 0.491 1067 P HA 0.164 nan 4.420 nan 0.000 0.264 1067 P C -2.291 175.011 177.300 0.002 0.000 1.179 1067 P CA -0.533 62.626 63.100 0.097 0.000 0.763 1067 P CB -0.208 31.586 31.700 0.157 0.000 0.806 1068 P HA 0.109 nan 4.420 nan 0.000 0.274 1068 P C -0.867 176.443 177.300 0.017 0.000 1.231 1068 P CA 0.008 63.109 63.100 0.002 0.000 0.790 1068 P CB 0.965 32.689 31.700 0.041 0.000 0.951 1069 Q N 1.744 121.533 119.800 -0.019 0.000 2.351 1069 Q HA 0.470 4.809 4.340 -0.003 0.000 0.273 1069 Q C -2.421 173.585 176.000 0.011 0.000 1.077 1069 Q CA -2.382 53.423 55.803 0.004 0.000 0.843 1069 Q CB 0.871 29.597 28.738 -0.019 0.000 1.367 1069 Q HN 0.327 nan 8.270 nan 0.000 0.449 1070 P HA -0.107 nan 4.420 nan 0.000 0.264 1070 P C -1.057 176.238 177.300 -0.008 0.000 1.179 1070 P CA 0.452 63.606 63.100 0.090 0.000 0.763 1070 P CB 0.367 32.127 31.700 0.102 0.000 0.806 1071 A N 3.172 125.999 122.820 0.011 0.000 2.366 1071 A HA 0.137 4.456 4.320 -0.003 0.000 0.249 1071 A C 0.356 177.763 177.584 -0.295 0.000 1.084 1071 A CA -0.245 51.741 52.037 -0.085 0.000 0.794 1071 A CB 0.018 19.076 19.000 0.096 0.000 1.034 1071 A HN 0.466 nan 8.150 nan 0.000 0.491 1072 E N 2.089 122.202 120.200 -0.145 0.000 2.259 1072 E HA 0.273 4.621 4.350 -0.003 0.000 0.281 1072 E C -2.221 174.337 176.600 -0.069 0.000 1.037 1072 E CA -1.562 54.757 56.400 -0.135 0.000 0.854 1072 E CB 0.598 30.276 29.700 -0.036 0.000 1.051 1072 E HN 0.469 nan 8.360 nan 0.000 0.409 1073 P HA 0.060 nan 4.420 nan 0.000 0.272 1073 P C -0.764 176.559 177.300 0.037 0.000 1.223 1073 P CA -0.171 62.815 63.100 -0.189 0.000 0.784 1073 P CB 0.306 31.891 31.700 -0.191 0.000 0.923 1074 W N 0.427 121.718 121.300 -0.015 0.000 2.706 1074 W HA 0.595 5.251 4.660 -0.007 0.000 0.346 1074 W C 0.688 177.133 176.519 -0.124 0.000 1.071 1074 W CA -0.710 56.599 57.345 -0.060 0.000 1.206 1074 W CB -0.105 29.348 29.460 -0.012 0.000 1.413 1074 W HN 0.132 nan 8.180 nan 0.000 0.542 1075 S N 0.640 116.295 115.700 -0.074 0.000 2.395 1075 S HA 0.023 4.491 4.470 -0.003 0.000 0.225 1075 S C 0.700 175.024 174.600 -0.461 0.000 1.027 1075 S CA 0.898 58.828 58.200 -0.451 0.000 0.965 1075 S CB -0.283 62.366 63.200 -0.918 0.000 0.812 1075 S HN 0.505 nan 8.310 nan 0.000 0.482 1076 F N -0.052 120.036 119.950 0.231 0.000 2.457 1076 F HA 0.471 4.998 4.527 -0.001 0.000 0.173 1076 F C -0.112 175.846 175.800 0.264 0.000 1.412 1076 F CA -0.964 57.148 58.000 0.187 0.000 1.177 1076 F CB 0.079 39.154 39.000 0.125 0.000 1.863 1076 F HN -0.272 nan 8.300 nan 0.000 0.272 1077 V N 1.107 121.292 119.914 0.451 0.000 2.444 1077 V HA 0.281 4.399 4.120 -0.003 0.000 0.294 1077 V C -0.529 175.690 176.094 0.208 0.000 1.022 1077 V CA -1.073 61.420 62.300 0.322 0.000 0.850 1077 V CB 1.293 33.246 31.823 0.216 0.000 0.992 1077 V HN 0.321 nan 8.190 nan 0.000 0.426 1078 K N 3.529 124.011 120.400 0.137 0.000 2.249 1078 K HA 0.271 4.590 4.320 -0.003 0.000 0.280 1078 K C 0.003 176.599 176.600 -0.007 0.000 1.033 1078 K CA -0.345 55.874 56.287 -0.112 0.000 0.946 1078 K CB 0.518 32.691 32.500 -0.544 0.000 1.005 1078 K HN 0.659 nan 8.250 nan 0.000 0.469 1079 N N 2.548 121.225 118.700 -0.039 0.000 2.415 1079 N HA 0.193 4.932 4.740 -0.003 0.000 0.246 1079 N C -0.966 174.527 175.510 -0.029 0.000 1.078 1079 N CA -0.095 52.945 53.050 -0.017 0.000 0.942 1079 N CB 1.191 39.658 38.487 -0.034 0.000 1.140 1079 N HN 0.598 nan 8.380 nan 0.000 0.501 1080 A N 2.575 125.411 122.820 0.027 0.000 3.159 1080 A HA 0.149 4.467 4.320 -0.003 0.000 0.301 1080 A C 1.088 178.635 177.584 -0.061 0.000 1.271 1080 A CA -0.352 51.704 52.037 0.033 0.000 0.998 1080 A CB -0.650 18.478 19.000 0.214 0.000 1.101 1080 A HN 0.660 nan 8.150 nan 0.000 0.610 1081 T N -3.882 110.600 114.554 -0.120 0.000 3.054 1081 T HA 0.308 4.656 4.350 -0.003 0.000 0.255 1081 T C 0.614 175.157 174.700 -0.262 0.000 1.035 1081 T CA 0.425 62.408 62.100 -0.194 0.000 0.941 1081 T CB 0.046 68.824 68.868 -0.150 0.000 1.026 1081 T HN 0.250 nan 8.240 nan 0.000 0.533 1082 S N 0.051 115.606 115.700 -0.242 0.000 2.568 1082 S HA 0.643 5.112 4.470 -0.003 0.000 0.302 1082 S C -1.283 173.148 174.600 -0.282 0.000 1.082 1082 S CA -0.778 57.262 58.200 -0.266 0.000 1.009 1082 S CB 0.575 63.684 63.200 -0.152 0.000 1.069 1082 S HN 0.294 nan 8.310 nan 0.000 0.500 1083 Y N 3.612 123.850 120.300 -0.103 0.000 2.411 1083 Y HA 0.302 4.850 4.550 -0.004 0.000 0.333 1083 Y C -1.385 174.400 175.900 -0.192 0.000 1.186 1083 Y CA -1.313 56.717 58.100 -0.116 0.000 1.381 1083 Y CB 0.193 38.604 38.460 -0.082 0.000 1.273 1083 Y HN 0.491 nan 8.280 nan 0.000 0.546 1084 P HA 0.300 nan 4.420 nan 0.000 0.282 1084 P C -2.750 174.421 177.300 -0.214 0.000 1.259 1084 P CA -1.951 60.934 63.100 -0.358 0.000 0.826 1084 P CB 1.158 32.486 31.700 -0.619 0.000 1.064 1085 P HA 0.189 nan 4.420 nan 0.000 0.271 1085 P C -0.213 177.024 177.300 -0.104 0.000 1.233 1085 P CA 0.057 63.069 63.100 -0.146 0.000 0.789 1085 P CB 0.189 31.807 31.700 -0.137 0.000 0.951 1086 M N -0.661 118.875 119.600 -0.106 0.000 2.423 1086 M HA 0.504 4.982 4.480 -0.003 0.000 0.335 1086 M C -0.795 175.424 176.300 -0.136 0.000 1.177 1086 M CA -0.667 54.572 55.300 -0.103 0.000 1.038 1086 M CB 0.714 33.238 32.600 -0.127 0.000 1.641 1086 M HN 0.093 nan 8.290 nan 0.000 0.455 1087 c N 1.911 120.428 118.600 -0.139 0.000 2.634 1087 c HA 0.124 4.693 4.570 -0.003 0.000 0.417 1087 c C 0.889 174.793 174.090 -0.310 0.000 1.334 1087 c CA -0.274 55.923 56.329 -0.220 0.000 1.829 1087 c CB -0.732 41.672 42.510 -0.177 0.000 2.665 1087 c HN 0.881 nan 8.230 nan 0.000 0.614 1088 T N 4.675 118.912 114.554 -0.528 0.000 2.867 1088 T HA 0.212 4.560 4.350 -0.003 0.000 0.290 1088 T C 0.068 174.511 174.700 -0.428 0.000 1.025 1088 T CA 0.583 62.304 62.100 -0.632 0.000 1.146 1088 T CB -0.210 67.874 68.868 -1.306 0.000 1.024 1088 T HN 0.902 nan 8.240 nan 0.000 0.519 1089 Q N 0.802 120.483 119.800 -0.197 0.000 2.782 1089 Q HA 0.351 4.690 4.340 -0.003 0.000 0.308 1089 Q C -1.625 174.379 176.000 0.007 0.000 0.883 1089 Q CA -1.184 54.600 55.803 -0.031 0.000 0.755 1089 Q CB 0.845 29.560 28.738 -0.039 0.000 1.454 1089 Q HN 0.366 nan 8.270 nan 0.000 0.452 1090 D N 2.258 122.691 120.400 0.054 0.000 2.389 1090 D HA 0.068 4.707 4.640 -0.003 0.000 0.263 1090 D C -1.306 174.997 176.300 0.005 0.000 1.255 1090 D CA -1.553 52.477 54.000 0.050 0.000 0.914 1090 D CB 1.031 41.871 40.800 0.066 0.000 1.116 1090 D HN 0.275 nan 8.370 nan 0.000 0.502 1091 P HA -0.239 nan 4.420 nan 0.000 0.214 1091 P C 1.009 178.293 177.300 -0.027 0.000 1.169 1091 P CA 1.531 64.614 63.100 -0.027 0.000 0.908 1091 P CB 0.295 31.982 31.700 -0.023 0.000 0.791 1092 K N -0.274 120.117 120.400 -0.015 0.000 2.097 1092 K HA -0.062 4.256 4.320 -0.003 0.000 0.206 1092 K C 2.389 178.976 176.600 -0.023 0.000 1.049 1092 K CA 1.512 57.788 56.287 -0.018 0.000 0.933 1092 K CB -0.576 31.919 32.500 -0.008 0.000 0.717 1092 K HN 0.092 nan 8.250 nan 0.000 0.442 1093 A N 1.084 123.896 122.820 -0.013 0.000 1.968 1093 A HA -0.026 4.293 4.320 -0.003 0.000 0.217 1093 A C 2.352 179.915 177.584 -0.035 0.000 1.169 1093 A CA 1.660 53.687 52.037 -0.017 0.000 0.638 1093 A CB -0.756 18.250 19.000 0.010 0.000 0.812 1093 A HN 0.413 nan 8.150 nan 0.000 0.446 1094 G N -1.078 107.699 108.800 -0.039 0.000 2.396 1094 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.214 1094 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.214 1094 G C 1.596 176.449 174.900 -0.077 0.000 1.166 1094 G CA 0.891 45.955 45.100 -0.060 0.000 0.793 1094 G HN 0.565 nan 8.290 nan 0.000 0.533 1095 Q N -0.512 119.245 119.800 -0.071 0.000 2.084 1095 Q HA -0.085 4.253 4.340 -0.003 0.000 0.202 1095 Q C 2.433 178.389 176.000 -0.074 0.000 0.978 1095 Q CA 1.241 56.999 55.803 -0.075 0.000 0.844 1095 Q CB -0.206 28.496 28.738 -0.061 0.000 0.898 1095 Q HN 0.392 nan 8.270 nan 0.000 0.426 1096 L N 0.404 121.588 121.223 -0.065 0.000 2.012 1096 L HA -0.180 4.158 4.340 -0.003 0.000 0.210 1096 L C 2.151 178.959 176.870 -0.103 0.000 1.073 1096 L CA 1.546 56.346 54.840 -0.066 0.000 0.748 1096 L CB -0.600 41.423 42.059 -0.059 0.000 0.891 1096 L HN 0.369 nan 8.230 nan 0.000 0.431 1097 L N -1.269 119.878 121.223 -0.126 0.000 2.201 1097 L HA -0.125 4.214 4.340 -0.003 0.000 0.212 1097 L C 2.597 179.359 176.870 -0.180 0.000 1.105 1097 L CA 1.880 56.599 54.840 -0.202 0.000 0.775 1097 L CB -0.609 41.363 42.059 -0.145 0.000 0.913 1097 L HN 0.453 nan 8.230 nan 0.000 0.440 1098 S N -0.962 114.663 115.700 -0.125 0.000 2.406 1098 S HA -0.130 4.339 4.470 -0.003 0.000 0.228 1098 S C 1.766 176.291 174.600 -0.124 0.000 1.020 1098 S CA 1.132 59.248 58.200 -0.139 0.000 0.965 1098 S CB -0.245 62.866 63.200 -0.148 0.000 0.798 1098 S HN 0.660 nan 8.310 nan 0.000 0.488 1099 E N 0.692 120.842 120.200 -0.084 0.000 2.112 1099 E HA 0.009 4.357 4.350 -0.003 0.000 0.190 1099 E C 1.887 178.502 176.600 0.025 0.000 0.979 1099 E CA 0.875 57.252 56.400 -0.038 0.000 0.814 1099 E CB -0.217 29.470 29.700 -0.021 0.000 0.762 1099 E HN 0.498 nan 8.360 nan 0.000 0.460 1100 L N -0.191 121.038 121.223 0.010 0.000 2.395 1100 L HA -0.024 4.315 4.340 -0.003 0.000 0.218 1100 L C 1.549 178.617 176.870 0.331 0.000 1.130 1100 L CA 0.441 55.344 54.840 0.104 0.000 0.826 1100 L CB 0.054 42.076 42.059 -0.061 0.000 0.941 1100 L HN 0.080 nan 8.230 nan 0.000 0.451 1101 F N -1.393 118.532 119.950 -0.041 0.000 2.740 1101 F HA 0.178 4.703 4.527 -0.004 0.000 0.304 1101 F C 1.546 176.973 175.800 -0.622 0.000 1.098 1101 F CA -0.598 57.236 58.000 -0.277 0.000 1.258 1101 F CB -0.345 38.495 39.000 -0.266 0.000 1.061 1101 F HN -0.241 nan 8.300 nan 0.000 0.598 1102 T N 2.549 116.924 114.554 -0.299 0.000 2.934 1102 T HA -0.045 4.303 4.350 -0.003 0.000 0.306 1102 T C 1.169 175.613 174.700 -0.426 0.000 1.042 1102 T CA 0.116 61.951 62.100 -0.442 0.000 1.145 1102 T CB 0.207 68.905 68.868 -0.284 0.000 0.982 1102 T HN 0.350 nan 8.240 nan 0.000 0.544 1103 N N 4.236 122.638 118.700 -0.498 0.000 2.235 1103 N HA 0.057 4.796 4.740 -0.003 0.000 0.209 1103 N C 0.151 175.500 175.510 -0.269 0.000 1.122 1103 N CA -0.270 52.524 53.050 -0.426 0.000 0.845 1103 N CB 0.194 38.419 38.487 -0.437 0.000 1.004 1103 N HN 0.490 nan 8.380 nan 0.000 0.499 1104 R N 0.526 120.894 120.500 -0.220 0.000 2.500 1104 R HA 0.234 4.572 4.340 -0.003 0.000 0.277 1104 R C 1.146 177.395 176.300 -0.084 0.000 1.026 1104 R CA -0.609 55.411 56.100 -0.132 0.000 1.058 1104 R CB 1.656 31.880 30.300 -0.126 0.000 1.078 1104 R HN 0.011 nan 8.270 nan 0.000 0.509 1105 K N 1.113 121.489 120.400 -0.039 0.000 2.057 1105 K HA -0.132 4.186 4.320 -0.003 0.000 0.207 1105 K C -0.321 176.277 176.600 -0.004 0.000 1.049 1105 K CA 1.537 57.822 56.287 -0.005 0.000 0.931 1105 K CB 0.300 32.810 32.500 0.017 0.000 0.714 1105 K HN 0.497 nan 8.250 nan 0.000 0.440 1106 E N 0.817 121.006 120.200 -0.019 0.000 2.241 1106 E HA 0.119 4.467 4.350 -0.003 0.000 0.263 1106 E C -1.414 175.155 176.600 -0.053 0.000 0.882 1106 E CA -0.506 55.881 56.400 -0.022 0.000 0.769 1106 E CB 1.652 31.347 29.700 -0.008 0.000 1.185 1106 E HN 0.211 nan 8.360 nan 0.000 0.415 1107 N N 3.437 122.099 118.700 -0.063 0.000 2.407 1107 N HA -0.032 4.707 4.740 -0.003 0.000 0.250 1107 N C -0.380 175.062 175.510 -0.113 0.000 1.236 1107 N CA -0.128 52.862 53.050 -0.101 0.000 0.879 1107 N CB 0.532 38.967 38.487 -0.087 0.000 1.088 1107 N HN 0.350 nan 8.380 nan 0.000 0.450 1108 I N 4.995 125.460 120.570 -0.175 0.000 2.301 1108 I HA 0.230 4.398 4.170 -0.003 0.000 0.292 1108 I C -1.902 174.113 176.117 -0.171 0.000 1.046 1108 I CA -2.199 58.980 61.300 -0.201 0.000 1.282 1108 I CB 0.386 38.140 38.000 -0.410 0.000 1.409 1108 I HN 0.422 nan 8.210 nan 0.000 0.484 1109 P HA 0.323 nan 4.420 nan 0.000 0.276 1109 P C -0.718 176.523 177.300 -0.098 0.000 1.243 1109 P CA -0.136 62.909 63.100 -0.092 0.000 0.768 1109 P CB 1.325 32.989 31.700 -0.061 0.000 0.856 1110 L N 2.454 123.614 121.223 -0.105 0.000 2.332 1110 L HA 0.555 4.893 4.340 -0.003 0.000 0.269 1110 L C 0.621 177.439 176.870 -0.086 0.000 1.016 1110 L CA -1.189 53.589 54.840 -0.102 0.000 0.809 1110 L CB 1.342 43.327 42.059 -0.125 0.000 1.280 1110 L HN 0.217 nan 8.230 nan 0.000 0.447 1111 K N 0.903 121.252 120.400 -0.085 0.000 2.156 1111 K HA 0.595 4.913 4.320 -0.003 0.000 0.254 1111 K C -1.060 175.478 176.600 -0.103 0.000 0.950 1111 K CA -0.332 55.905 56.287 -0.084 0.000 0.849 1111 K CB 1.260 33.714 32.500 -0.076 0.000 1.100 1111 K HN 0.364 nan 8.250 nan 0.000 0.434 1112 L N 1.659 122.818 121.223 -0.106 0.000 2.350 1112 L HA 0.523 4.861 4.340 -0.003 0.000 0.275 1112 L C -0.051 176.729 176.870 -0.149 0.000 1.099 1112 L CA -0.392 54.364 54.840 -0.140 0.000 0.808 1112 L CB 1.561 43.535 42.059 -0.142 0.000 1.149 1112 L HN 0.567 nan 8.230 nan 0.000 0.442 1113 S N 0.505 116.090 115.700 -0.190 0.000 2.558 1113 S HA 0.181 4.649 4.470 -0.003 0.000 0.277 1113 S C 0.132 174.591 174.600 -0.234 0.000 1.143 1113 S CA -0.631 57.463 58.200 -0.176 0.000 0.865 1113 S CB 1.445 64.579 63.200 -0.110 0.000 1.102 1113 S HN 0.753 nan 8.310 nan 0.000 0.454 1114 E N 1.073 121.133 120.200 -0.234 0.000 2.274 1114 E HA -0.058 4.290 4.350 -0.003 0.000 0.194 1114 E C -0.211 176.301 176.600 -0.146 0.000 0.996 1114 E CA 0.515 56.759 56.400 -0.260 0.000 0.840 1114 E CB 0.104 29.703 29.700 -0.168 0.000 0.772 1114 E HN 0.532 nan 8.360 nan 0.000 0.491 1115 D N 0.406 120.754 120.400 -0.086 0.000 2.517 1115 D HA -0.005 4.633 4.640 -0.003 0.000 0.220 1115 D C 0.200 176.559 176.300 0.098 0.000 1.158 1115 D CA -0.304 53.686 54.000 -0.016 0.000 0.992 1115 D CB -0.035 40.774 40.800 0.014 0.000 1.058 1115 D HN 0.163 nan 8.370 nan 0.000 0.516 1116 c N 2.053 120.687 118.600 0.056 0.000 3.785 1116 c HA 0.373 4.941 4.570 -0.003 0.000 0.312 1116 c C 0.926 175.141 174.090 0.208 0.000 1.566 1116 c CA -0.640 55.785 56.329 0.159 0.000 1.837 1116 c CB -1.246 41.262 42.510 -0.003 0.000 2.826 1116 c HN 0.434 nan 8.230 nan 0.000 0.667 1117 L N 2.506 123.667 121.223 -0.102 0.000 2.400 1117 L HA 0.297 4.635 4.340 -0.003 0.000 0.262 1117 L C -0.529 176.045 176.870 -0.495 0.000 1.309 1117 L CA 0.532 55.167 54.840 -0.341 0.000 1.186 1117 L CB -0.907 40.682 42.059 -0.783 0.000 1.375 1117 L HN 0.386 nan 8.230 nan 0.000 0.433 1118 Y N 1.990 122.329 120.300 0.065 0.000 2.675 1118 Y HA 0.745 5.294 4.550 -0.002 0.000 0.328 1118 Y C -0.052 175.994 175.900 0.242 0.000 1.092 1118 Y CA -1.245 56.920 58.100 0.108 0.000 1.190 1118 Y CB 1.652 40.120 38.460 0.014 0.000 1.350 1118 Y HN 0.159 nan 8.280 nan 0.000 0.525 1119 L N -0.369 121.004 121.223 0.250 0.000 2.505 1119 L HA 0.643 4.981 4.340 -0.003 0.000 0.259 1119 L C -1.707 175.186 176.870 0.037 0.000 0.952 1119 L CA -1.230 53.661 54.840 0.085 0.000 0.840 1119 L CB 1.676 43.649 42.059 -0.144 0.000 1.358 1119 L HN 0.393 nan 8.230 nan 0.000 0.409 1120 N N 2.827 121.581 118.700 0.090 0.000 2.443 1120 N HA 0.723 5.461 4.740 -0.003 0.000 0.295 1120 N C -1.071 174.462 175.510 0.037 0.000 1.076 1120 N CA -0.217 52.866 53.050 0.056 0.000 0.919 1120 N CB 2.507 41.085 38.487 0.152 0.000 1.176 1120 N HN 0.704 nan 8.380 nan 0.000 0.487 1121 I N 1.924 122.458 120.570 -0.061 0.000 2.465 1121 I HA 0.318 4.487 4.170 -0.003 0.000 0.291 1121 I C -1.174 174.935 176.117 -0.013 0.000 1.014 1121 I CA -0.754 60.568 61.300 0.036 0.000 1.093 1121 I CB 1.302 39.259 38.000 -0.073 0.000 1.267 1121 I HN 0.332 nan 8.210 nan 0.000 0.431 1122 Y N 3.247 123.682 120.300 0.225 0.000 2.363 1122 Y HA 0.405 4.953 4.550 -0.003 0.000 0.325 1122 Y C 0.170 176.203 175.900 0.221 0.000 0.984 1122 Y CA -0.699 57.527 58.100 0.209 0.000 1.248 1122 Y CB 2.106 40.659 38.460 0.156 0.000 1.116 1122 Y HN 0.362 nan 8.280 nan 0.000 0.470 1123 T N 5.072 119.856 114.554 0.384 0.000 2.840 1123 T HA 0.337 4.686 4.350 -0.003 0.000 0.287 1123 T C -2.241 172.626 174.700 0.279 0.000 0.991 1123 T CA -2.257 60.039 62.100 0.327 0.000 0.964 1123 T CB 1.378 70.472 68.868 0.376 0.000 0.954 1123 T HN 0.358 nan 8.240 nan 0.000 0.438 1124 P HA 0.247 nan 4.420 nan 0.000 0.249 1124 P C 0.333 177.728 177.300 0.159 0.000 1.229 1124 P CA -0.143 63.056 63.100 0.165 0.000 0.788 1124 P CB -0.009 31.753 31.700 0.103 0.000 1.072 1125 A N 1.066 123.994 122.820 0.179 0.000 2.462 1125 A HA 0.078 4.397 4.320 -0.003 0.000 0.243 1125 A C 0.060 177.743 177.584 0.165 0.000 1.076 1125 A CA -0.026 52.104 52.037 0.155 0.000 0.773 1125 A CB -0.464 18.632 19.000 0.160 0.000 1.010 1125 A HN -0.006 nan 8.150 nan 0.000 0.493 1126 D N 2.433 122.905 120.400 0.120 0.000 2.383 1126 D HA 0.239 4.877 4.640 -0.003 0.000 0.245 1126 D C 1.098 177.470 176.300 0.119 0.000 1.263 1126 D CA -0.049 54.017 54.000 0.109 0.000 0.936 1126 D CB -0.139 40.700 40.800 0.065 0.000 1.053 1126 D HN 0.438 nan 8.370 nan 0.000 0.507 1127 L N 2.497 123.821 121.223 0.168 0.000 2.197 1127 L HA -0.242 4.096 4.340 -0.003 0.000 0.215 1127 L C 2.459 179.383 176.870 0.090 0.000 1.095 1127 L CA 1.627 56.549 54.840 0.137 0.000 0.764 1127 L CB -1.061 41.109 42.059 0.185 0.000 0.897 1127 L HN 0.545 nan 8.230 nan 0.000 0.436 1128 T N -2.925 111.683 114.554 0.090 0.000 2.737 1128 T HA -0.085 4.263 4.350 -0.003 0.000 0.265 1128 T C 1.080 175.805 174.700 0.041 0.000 1.038 1128 T CA 0.551 62.687 62.100 0.061 0.000 1.144 1128 T CB -0.084 68.817 68.868 0.054 0.000 0.866 1128 T HN 0.025 nan 8.240 nan 0.000 0.434 1129 K N 2.002 122.428 120.400 0.042 0.000 2.118 1129 K HA 0.302 4.621 4.320 -0.003 0.000 0.264 1129 K C -0.079 176.540 176.600 0.033 0.000 1.000 1129 K CA -0.564 55.743 56.287 0.032 0.000 0.929 1129 K CB 1.136 33.654 32.500 0.030 0.000 1.021 1129 K HN 0.272 nan 8.250 nan 0.000 0.463 1130 K N 3.685 124.099 120.400 0.023 0.000 2.237 1130 K HA 0.021 4.340 4.320 -0.003 0.000 0.283 1130 K C -0.559 176.058 176.600 0.028 0.000 1.080 1130 K CA 0.014 56.314 56.287 0.021 0.000 0.965 1130 K CB 0.032 32.538 32.500 0.011 0.000 1.098 1130 K HN 0.397 nan 8.250 nan 0.000 0.434 1131 N N 2.868 121.593 118.700 0.041 0.000 2.482 1131 N HA 0.363 5.101 4.740 -0.003 0.000 0.279 1131 N C -0.472 175.067 175.510 0.048 0.000 1.182 1131 N CA -0.421 52.658 53.050 0.049 0.000 0.969 1131 N CB 1.152 39.681 38.487 0.070 0.000 1.201 1131 N HN 0.425 nan 8.380 nan 0.000 0.523 1132 R N 1.517 122.045 120.500 0.046 0.000 2.924 1132 R HA 0.306 4.645 4.340 -0.003 0.000 0.233 1132 R C -0.702 175.624 176.300 0.043 0.000 1.685 1132 R CA -0.227 55.899 56.100 0.042 0.000 1.462 1132 R CB 0.197 30.510 30.300 0.021 0.000 1.542 1132 R HN 0.481 nan 8.270 nan 0.000 0.667 1133 L N 2.014 123.274 121.223 0.063 0.000 2.454 1133 L HA 0.558 4.896 4.340 -0.003 0.000 0.256 1133 L C -1.696 175.211 176.870 0.061 0.000 1.136 1133 L CA -2.074 52.802 54.840 0.060 0.000 0.804 1133 L CB 0.530 42.637 42.059 0.079 0.000 1.181 1133 L HN 0.019 nan 8.230 nan 0.000 0.469 1134 P HA 0.097 nan 4.420 nan 0.000 0.271 1134 P C -1.044 176.305 177.300 0.083 0.000 1.218 1134 P CA -0.153 62.975 63.100 0.047 0.000 0.780 1134 P CB 1.214 32.924 31.700 0.017 0.000 0.901 1135 V N 3.903 123.880 119.914 0.105 0.000 2.384 1135 V HA 0.357 4.476 4.120 -0.003 0.000 0.287 1135 V C 0.527 176.721 176.094 0.166 0.000 1.020 1135 V CA -0.395 61.991 62.300 0.145 0.000 0.850 1135 V CB 1.019 32.937 31.823 0.159 0.000 0.987 1135 V HN 0.488 nan 8.190 nan 0.000 0.436 1136 M N 4.872 124.591 119.600 0.198 0.000 2.088 1136 M HA 0.475 4.953 4.480 -0.003 0.000 0.346 1136 M C -0.922 175.685 176.300 0.512 0.000 1.111 1136 M CA -0.511 54.959 55.300 0.283 0.000 1.017 1136 M CB 1.803 34.468 32.600 0.109 0.000 1.568 1136 M HN 0.391 nan 8.290 nan 0.000 0.445 1137 V N 4.232 124.456 119.914 0.516 0.000 2.350 1137 V HA 0.275 4.393 4.120 -0.003 0.000 0.276 1137 V C -0.322 175.988 176.094 0.360 0.000 1.028 1137 V CA -0.622 61.908 62.300 0.384 0.000 0.860 1137 V CB 1.020 32.960 31.823 0.194 0.000 0.990 1137 V HN 0.836 nan 8.190 nan 0.000 0.453 1138 W N 6.656 127.939 121.300 -0.029 0.000 2.183 1138 W HA 0.632 5.290 4.660 -0.003 0.000 0.348 1138 W C -0.975 175.379 176.519 -0.276 0.000 1.257 1138 W CA -0.664 56.418 57.345 -0.438 0.000 1.324 1138 W CB 1.078 30.350 29.460 -0.314 0.000 1.144 1138 W HN 0.390 nan 8.180 nan 0.000 0.622 1139 I N 5.420 125.177 120.570 -1.355 0.000 2.576 1139 I HA -0.001 4.168 4.170 -0.003 0.000 0.279 1139 I C 0.536 175.873 176.117 -1.300 0.000 1.114 1139 I CA -0.728 59.991 61.300 -0.968 0.000 1.076 1139 I CB 0.982 38.551 38.000 -0.718 0.000 1.212 1139 I HN 0.434 nan 8.210 nan 0.000 0.472 1140 H N 4.042 122.679 119.070 -0.721 0.000 2.913 1140 H HA 0.299 4.853 4.556 -0.004 0.000 0.365 1140 H C 0.000 175.270 175.328 -0.097 0.000 1.155 1140 H CA 0.033 55.852 56.048 -0.381 0.000 1.417 1140 H CB 1.095 30.892 29.762 0.059 0.000 1.386 1140 H HN 0.590 nan 8.280 nan 0.000 0.614 1141 G N -1.084 107.897 108.800 0.301 0.000 2.671 1141 G HA2 0.472 4.431 3.960 -0.003 0.000 0.275 1141 G HA3 0.472 4.431 3.960 -0.003 0.000 0.275 1141 G C 0.348 175.535 174.900 0.478 0.000 1.368 1141 G CA -0.733 44.565 45.100 0.330 0.000 1.044 1141 G HN 1.238 nan 8.290 nan 0.000 0.543 1142 G N -2.670 106.346 108.800 0.359 0.000 2.192 1142 G HA2 0.398 4.356 3.960 -0.003 0.000 0.152 1142 G HA3 0.398 4.356 3.960 -0.003 0.000 0.152 1142 G C 1.040 176.041 174.900 0.169 0.000 1.057 1142 G CA 0.672 45.931 45.100 0.265 0.000 0.748 1142 G HN 2.329 nan 8.290 nan 0.000 0.488 1143 G N -0.024 108.863 108.800 0.145 0.000 2.233 1143 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.270 1143 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.270 1143 G C 1.171 176.054 174.900 -0.029 0.000 1.011 1143 G CA 0.724 45.851 45.100 0.045 0.000 0.762 1143 G HN 1.824 nan 8.290 nan 0.000 0.511 1144 L N -3.406 117.837 121.223 0.035 0.000 4.367 1144 L HA -0.281 4.057 4.340 -0.003 0.000 0.424 1144 L C 1.929 178.808 176.870 0.014 0.000 1.152 1144 L CA 1.568 56.405 54.840 -0.005 0.000 0.974 1144 L CB -1.287 40.494 42.059 -0.464 0.000 2.012 1144 L HN 0.479 nan 8.230 nan 0.000 0.922 1145 M N -1.660 117.964 119.600 0.039 0.000 2.379 1145 M HA 0.286 4.764 4.480 -0.003 0.000 0.268 1145 M C 0.730 177.070 176.300 0.066 0.000 1.185 1145 M CA 0.998 56.323 55.300 0.042 0.000 1.121 1145 M CB 0.839 33.437 32.600 -0.003 0.000 1.608 1145 M HN 0.227 nan 8.290 nan 0.000 0.569 1146 V N -2.974 116.978 119.914 0.063 0.000 3.076 1146 V HA 1.046 5.164 4.120 -0.003 0.000 0.311 1146 V C -0.099 175.984 176.094 -0.017 0.000 1.346 1146 V CA -0.368 61.942 62.300 0.017 0.000 1.056 1146 V CB 0.967 32.797 31.823 0.012 0.000 1.093 1146 V HN 0.466 nan 8.190 nan 0.000 0.468 1147 G N -1.054 107.665 108.800 -0.135 0.000 2.650 1147 G HA2 0.548 4.507 3.960 -0.003 0.000 0.686 1147 G HA3 0.548 4.507 3.960 -0.003 0.000 0.686 1147 G C -0.588 173.900 174.900 -0.687 0.000 1.205 1147 G CA -0.136 44.732 45.100 -0.387 0.000 0.781 1147 G HN 2.602 nan 8.290 nan 0.000 0.648 1148 A N -0.156 122.273 122.820 -0.651 0.000 2.594 1148 A HA 1.076 5.394 4.320 -0.003 0.000 0.291 1148 A C 0.835 178.384 177.584 -0.058 0.000 1.105 1148 A CA 0.541 52.376 52.037 -0.337 0.000 0.694 1148 A CB 1.105 20.005 19.000 -0.167 0.000 1.291 1148 A HN 2.557 nan 8.150 nan 0.000 0.410 1149 A N 0.036 122.955 122.820 0.164 0.000 1.975 1149 A HA 0.170 4.488 4.320 -0.003 0.000 0.215 1149 A C 1.871 179.606 177.584 0.251 0.000 1.170 1149 A CA 1.947 54.184 52.037 0.334 0.000 0.656 1149 A CB -0.646 18.551 19.000 0.328 0.000 0.821 1149 A HN 0.970 nan 8.150 nan 0.000 0.449 1150 S N -0.049 115.714 115.700 0.105 0.000 2.537 1150 S HA -0.084 4.384 4.470 -0.003 0.000 0.240 1150 S C 1.708 176.214 174.600 -0.155 0.000 0.981 1150 S CA 1.392 59.582 58.200 -0.018 0.000 0.948 1150 S CB -0.385 62.708 63.200 -0.179 0.000 0.759 1150 S HN 0.685 nan 8.310 nan 0.000 0.531 1151 T N 0.641 115.120 114.554 -0.126 0.000 2.896 1151 T HA -0.001 4.348 4.350 -0.003 0.000 0.263 1151 T C -0.070 174.294 174.700 -0.561 0.000 1.050 1151 T CA 0.841 62.724 62.100 -0.360 0.000 1.140 1151 T CB -0.170 68.424 68.868 -0.457 0.000 0.877 1151 T HN 0.381 nan 8.240 nan 0.000 0.457 1152 Y N 2.575 122.644 120.300 -0.385 0.000 2.676 1152 Y HA 0.378 4.926 4.550 -0.003 0.000 0.338 1152 Y C 0.255 175.831 175.900 -0.541 0.000 1.057 1152 Y CA -2.279 55.365 58.100 -0.759 0.000 1.314 1152 Y CB -0.325 37.302 38.460 -1.389 0.000 1.164 1152 Y HN -0.008 nan 8.280 nan 0.000 0.509 1153 D N 1.797 122.005 120.400 -0.320 0.000 2.425 1153 D HA 0.042 4.680 4.640 -0.003 0.000 0.247 1153 D C 1.110 177.168 176.300 -0.404 0.000 1.147 1153 D CA 0.374 54.221 54.000 -0.255 0.000 0.879 1153 D CB 1.585 42.291 40.800 -0.156 0.000 1.179 1153 D HN 0.774 nan 8.370 nan 0.000 0.456 1154 G N 3.294 111.502 108.800 -0.987 0.000 3.088 1154 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.217 1154 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.217 1154 G C 1.309 175.850 174.900 -0.598 0.000 1.159 1154 G CA -0.034 44.624 45.100 -0.736 0.000 0.760 1154 G HN 0.481 nan 8.290 nan 0.000 0.550 1155 L N 2.034 122.914 121.223 -0.572 0.000 1.941 1155 L HA -0.039 4.299 4.340 -0.003 0.000 0.224 1155 L C 2.971 179.751 176.870 -0.149 0.000 1.081 1155 L CA 2.741 57.486 54.840 -0.158 0.000 0.784 1155 L CB -1.045 41.001 42.059 -0.021 0.000 0.894 1155 L HN 0.218 nan 8.230 nan 0.000 0.436 1156 A N -0.553 122.166 122.820 -0.169 0.000 1.893 1156 A HA -0.348 3.971 4.320 -0.003 0.000 0.222 1156 A C 2.326 179.707 177.584 -0.339 0.000 1.309 1156 A CA 2.883 54.755 52.037 -0.275 0.000 0.681 1156 A CB -1.568 17.271 19.000 -0.269 0.000 0.842 1156 A HN 0.665 nan 8.150 nan 0.000 0.468 1157 L N -0.646 120.411 121.223 -0.276 0.000 2.079 1157 L HA -0.093 4.246 4.340 -0.003 0.000 0.210 1157 L C 2.648 179.428 176.870 -0.150 0.000 1.081 1157 L CA 2.477 57.169 54.840 -0.247 0.000 0.752 1157 L CB -0.839 41.054 42.059 -0.277 0.000 0.896 1157 L HN 0.418 nan 8.230 nan 0.000 0.433 1158 A N -0.449 122.309 122.820 -0.103 0.000 1.855 1158 A HA -0.037 4.282 4.320 -0.003 0.000 0.215 1158 A C 2.482 180.020 177.584 -0.076 0.000 1.191 1158 A CA 1.841 53.862 52.037 -0.027 0.000 0.613 1158 A CB -1.324 17.715 19.000 0.065 0.000 0.829 1158 A HN 0.575 nan 8.150 nan 0.000 0.442 1159 A N -0.846 121.877 122.820 -0.161 0.000 1.873 1159 A HA -0.258 4.060 4.320 -0.003 0.000 0.218 1159 A C 2.033 179.294 177.584 -0.538 0.000 1.193 1159 A CA 1.742 53.561 52.037 -0.364 0.000 0.629 1159 A CB -1.170 17.512 19.000 -0.531 0.000 0.826 1159 A HN 0.736 nan 8.150 nan 0.000 0.447 1160 H N -1.485 117.200 119.070 -0.642 0.000 2.495 1160 H HA 0.006 4.560 4.556 -0.003 0.000 0.287 1160 H C 0.730 175.961 175.328 -0.161 0.000 1.033 1160 H CA 1.197 56.986 56.048 -0.431 0.000 1.307 1160 H CB 0.404 29.895 29.762 -0.452 0.000 1.401 1160 H HN 0.456 nan 8.280 nan 0.000 0.555 1161 E N -0.131 120.051 120.200 -0.030 0.000 2.676 1161 E HA 0.000 4.349 4.350 -0.003 0.000 0.222 1161 E C -0.244 176.361 176.600 0.008 0.000 0.968 1161 E CA -0.223 56.176 56.400 -0.002 0.000 1.090 1161 E CB 0.145 29.839 29.700 -0.010 0.000 1.066 1161 E HN 0.358 nan 8.360 nan 0.000 0.496 1162 N N 1.043 119.747 118.700 0.006 0.000 2.671 1162 N HA -0.172 4.566 4.740 -0.003 0.000 0.261 1162 N C -0.757 174.779 175.510 0.043 0.000 1.053 1162 N CA 0.545 53.615 53.050 0.033 0.000 0.732 1162 N CB -0.733 37.779 38.487 0.043 0.000 0.887 1162 N HN -0.007 nan 8.380 nan 0.000 0.546 1163 V N -1.755 118.187 119.914 0.047 0.000 2.760 1163 V HA 0.594 4.712 4.120 -0.003 0.000 0.309 1163 V C 0.476 176.635 176.094 0.108 0.000 1.077 1163 V CA -1.032 61.306 62.300 0.064 0.000 0.910 1163 V CB 1.947 33.791 31.823 0.035 0.000 1.008 1163 V HN -0.061 nan 8.190 nan 0.000 0.424 1164 V N 4.348 124.345 119.914 0.139 0.000 2.470 1164 V HA 0.300 4.419 4.120 -0.003 0.000 0.276 1164 V C 0.281 176.502 176.094 0.211 0.000 1.040 1164 V CA -0.056 62.360 62.300 0.192 0.000 1.008 1164 V CB 1.092 33.035 31.823 0.200 0.000 0.990 1164 V HN 0.732 nan 8.190 nan 0.000 0.477 1165 V N 6.269 126.339 119.914 0.260 0.000 2.370 1165 V HA 0.448 4.566 4.120 -0.003 0.000 0.283 1165 V C -0.053 176.265 176.094 0.373 0.000 1.023 1165 V CA -0.513 61.970 62.300 0.305 0.000 0.857 1165 V CB 1.747 33.721 31.823 0.252 0.000 0.985 1165 V HN 0.588 nan 8.190 nan 0.000 0.443 1166 V N 4.244 124.364 119.914 0.344 0.000 2.495 1166 V HA 0.608 4.726 4.120 -0.003 0.000 0.298 1166 V C 0.231 176.515 176.094 0.317 0.000 1.031 1166 V CA -0.398 62.073 62.300 0.285 0.000 0.871 1166 V CB 2.319 34.253 31.823 0.184 0.000 0.988 1166 V HN 1.015 nan 8.190 nan 0.000 0.432 1167 T N 3.640 118.382 114.554 0.313 0.000 2.792 1167 T HA 0.816 5.164 4.350 -0.003 0.000 0.280 1167 T C -0.600 174.233 174.700 0.221 0.000 0.990 1167 T CA -0.542 61.756 62.100 0.330 0.000 0.960 1167 T CB 1.325 70.421 68.868 0.381 0.000 0.939 1167 T HN 0.675 nan 8.240 nan 0.000 0.439 1168 I N 0.159 120.832 120.570 0.172 0.000 2.797 1168 I HA 0.650 4.818 4.170 -0.003 0.000 0.307 1168 I C -0.541 175.726 176.117 0.251 0.000 1.033 1168 I CA -1.211 60.156 61.300 0.111 0.000 1.071 1168 I CB 2.136 40.074 38.000 -0.102 0.000 1.255 1168 I HN 0.576 nan 8.210 nan 0.000 0.445 1169 Q N 2.669 122.667 119.800 0.330 0.000 2.240 1169 Q HA 0.584 4.922 4.340 -0.003 0.000 0.260 1169 Q C -1.815 174.463 176.000 0.463 0.000 1.018 1169 Q CA -0.811 55.214 55.803 0.369 0.000 0.898 1169 Q CB 2.553 31.468 28.738 0.296 0.000 1.301 1169 Q HN 0.759 nan 8.270 nan 0.000 0.469 1170 Y N -3.164 117.262 120.300 0.210 0.000 2.521 1170 Y HA 0.436 4.983 4.550 -0.004 0.000 0.328 1170 Y C -1.056 174.925 175.900 0.135 0.000 1.151 1170 Y CA -1.336 56.862 58.100 0.164 0.000 1.054 1170 Y CB 0.683 39.184 38.460 0.068 0.000 1.338 1170 Y HN 0.428 nan 8.280 nan 0.000 0.453 1171 R N 2.679 123.289 120.500 0.183 0.000 2.523 1171 R HA 0.271 4.610 4.340 -0.003 0.000 0.281 1171 R C -0.838 175.570 176.300 0.179 0.000 0.969 1171 R CA 0.443 56.614 56.100 0.119 0.000 1.093 1171 R CB 0.120 30.500 30.300 0.134 0.000 0.917 1171 R HN 0.694 nan 8.270 nan 0.000 0.408 1172 L N 1.550 122.886 121.223 0.189 0.000 2.271 1172 L HA 0.522 4.861 4.340 -0.003 0.000 0.265 1172 L C 1.378 178.537 176.870 0.481 0.000 1.013 1172 L CA -0.379 54.660 54.840 0.330 0.000 0.820 1172 L CB 1.325 43.460 42.059 0.127 0.000 1.352 1172 L HN 0.873 nan 8.230 nan 0.000 0.443 1173 G N 0.295 109.363 108.800 0.447 0.000 2.627 1173 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.312 1173 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.312 1173 G C 0.828 175.993 174.900 0.440 0.000 1.299 1173 G CA 0.678 45.994 45.100 0.361 0.000 0.989 1173 G HN 0.636 nan 8.290 nan 0.000 0.547 1174 I N -0.655 120.122 120.570 0.345 0.000 2.142 1174 I HA -0.176 3.993 4.170 -0.003 0.000 0.240 1174 I C 2.873 179.232 176.117 0.403 0.000 1.078 1174 I CA 2.304 63.755 61.300 0.252 0.000 1.343 1174 I CB -0.423 37.515 38.000 -0.103 0.000 1.046 1174 I HN 0.583 nan 8.210 nan 0.000 0.405 1175 W N 0.957 122.437 121.300 0.300 0.000 2.290 1175 W HA -0.205 4.450 4.660 -0.010 0.000 0.318 1175 W C 2.288 178.949 176.519 0.237 0.000 1.248 1175 W CA 1.503 58.942 57.345 0.156 0.000 1.263 1175 W CB -1.021 28.446 29.460 0.012 0.000 1.147 1175 W HN 0.275 nan 8.180 nan 0.000 0.494 1176 G N -2.825 106.247 108.800 0.453 0.000 3.126 1176 G HA2 0.128 4.086 3.960 -0.003 0.000 0.224 1176 G HA3 0.128 4.086 3.960 -0.003 0.000 0.224 1176 G C 0.609 175.268 174.900 -0.403 0.000 1.142 1176 G CA -0.073 45.097 45.100 0.115 0.000 0.759 1176 G HN 0.140 nan 8.290 nan 0.000 0.550 1177 F N -1.214 118.961 119.950 0.375 0.000 2.915 1177 F HA 0.405 4.933 4.527 0.002 0.000 0.347 1177 F C 0.347 176.209 175.800 0.103 0.000 1.104 1177 F CA -1.623 56.454 58.000 0.128 0.000 1.126 1177 F CB 0.295 39.309 39.000 0.024 0.000 1.145 1177 F HN 0.004 nan 8.300 nan 0.000 0.541 1178 F N 1.882 121.983 119.950 0.251 0.000 2.607 1178 F HA 0.356 4.884 4.527 0.001 0.000 0.374 1178 F C 0.473 176.273 175.800 -0.000 0.000 1.104 1178 F CA 0.455 58.501 58.000 0.076 0.000 1.296 1178 F CB 0.528 39.468 39.000 -0.099 0.000 1.085 1178 F HN -0.118 nan 8.300 nan 0.000 0.584 1179 S N 2.909 118.093 115.700 -0.861 0.000 2.540 1179 S HA 0.403 4.871 4.470 -0.003 0.000 0.275 1179 S C 0.187 174.350 174.600 -0.728 0.000 1.123 1179 S CA -0.067 57.782 58.200 -0.584 0.000 0.907 1179 S CB 1.450 64.444 63.200 -0.342 0.000 1.081 1179 S HN 0.827 nan 8.310 nan 0.000 0.476 1180 T N 0.262 114.603 114.554 -0.356 0.000 3.054 1180 T HA 0.414 4.762 4.350 -0.003 0.000 0.255 1180 T C 1.383 176.010 174.700 -0.122 0.000 1.035 1180 T CA 0.543 62.518 62.100 -0.208 0.000 0.941 1180 T CB 0.108 68.986 68.868 0.017 0.000 1.026 1180 T HN 1.770 nan 8.240 nan 0.000 0.533 1181 G N 2.331 111.047 108.800 -0.141 0.000 2.148 1181 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.254 1181 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.254 1181 G C -0.332 174.526 174.900 -0.070 0.000 0.981 1181 G CA 0.407 45.444 45.100 -0.104 0.000 0.670 1181 G HN 0.946 nan 8.290 nan 0.000 0.528 1182 D N -2.503 117.863 120.400 -0.057 0.000 2.812 1182 D HA 0.434 5.072 4.640 -0.003 0.000 0.318 1182 D C 1.321 177.575 176.300 -0.077 0.000 1.234 1182 D CA -0.057 53.903 54.000 -0.067 0.000 0.989 1182 D CB -0.288 40.475 40.800 -0.062 0.000 1.442 1182 D HN 0.129 nan 8.370 nan 0.000 0.537 1183 E N 0.029 120.136 120.200 -0.154 0.000 2.130 1183 E HA -0.296 4.052 4.350 -0.003 0.000 0.196 1183 E C 1.135 177.710 176.600 -0.043 0.000 0.998 1183 E CA 1.476 57.798 56.400 -0.129 0.000 0.806 1183 E CB -0.888 28.698 29.700 -0.190 0.000 0.738 1183 E HN 0.548 nan 8.360 nan 0.000 0.459 1184 H N 0.626 119.755 119.070 0.098 0.000 2.539 1184 H HA 0.039 4.592 4.556 -0.005 0.000 0.292 1184 H C 0.501 175.955 175.328 0.210 0.000 1.069 1184 H CA 1.411 57.538 56.048 0.132 0.000 1.244 1184 H CB 0.011 29.835 29.762 0.104 0.000 1.365 1184 H HN 0.191 nan 8.280 nan 0.000 0.575 1185 S N -0.813 115.073 115.700 0.310 0.000 2.930 1185 S HA 0.156 4.624 4.470 -0.003 0.000 0.138 1185 S C 0.839 175.541 174.600 0.171 0.000 0.769 1185 S CA -0.579 57.883 58.200 0.437 0.000 0.888 1185 S CB -0.003 63.469 63.200 0.453 0.000 1.618 1185 S HN 0.201 nan 8.310 nan 0.000 0.551 1186 R N 1.352 121.894 120.500 0.070 0.000 2.132 1186 R HA 0.208 4.546 4.340 -0.003 0.000 0.233 1186 R C 1.507 177.571 176.300 -0.393 0.000 1.125 1186 R CA 1.771 57.775 56.100 -0.161 0.000 0.914 1186 R CB -0.393 29.813 30.300 -0.157 0.000 0.845 1186 R HN 0.817 nan 8.270 nan 0.000 0.431 1187 G N -2.159 106.076 108.800 -0.942 0.000 2.278 1187 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.265 1187 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.265 1187 G C -0.876 173.292 174.900 -1.221 0.000 1.329 1187 G CA -0.275 44.145 45.100 -1.134 0.000 1.017 1187 G HN 0.232 nan 8.290 nan 0.000 0.472 1188 N N -0.839 117.486 118.700 -0.625 0.000 2.732 1188 N HA -0.228 4.510 4.740 -0.003 0.000 0.250 1188 N C 1.441 176.722 175.510 -0.380 0.000 1.097 1188 N CA 2.004 54.861 53.050 -0.320 0.000 0.812 1188 N CB -1.491 36.945 38.487 -0.085 0.000 1.148 1188 N HN 0.706 nan 8.380 nan 0.000 0.572 1189 W N 0.724 121.888 121.300 -0.227 0.000 2.269 1189 W HA -0.307 4.363 4.660 0.018 0.000 0.336 1189 W C 2.576 178.947 176.519 -0.246 0.000 1.333 1189 W CA 1.116 58.356 57.345 -0.176 0.000 1.299 1189 W CB -1.045 28.346 29.460 -0.114 0.000 1.126 1189 W HN 0.303 nan 8.180 nan 0.000 0.474 1190 G N -0.482 108.097 108.800 -0.368 0.000 2.476 1190 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.218 1190 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.218 1190 G C 1.135 175.969 174.900 -0.111 0.000 1.164 1190 G CA 1.564 46.531 45.100 -0.221 0.000 0.768 1190 G HN 0.320 nan 8.290 nan 0.000 0.560 1191 H N 0.292 119.313 119.070 -0.081 0.000 2.422 1191 H HA 0.047 4.601 4.556 -0.003 0.000 0.298 1191 H C 2.699 178.005 175.328 -0.037 0.000 1.098 1191 H CA 0.892 56.899 56.048 -0.069 0.000 1.315 1191 H CB -0.251 29.486 29.762 -0.041 0.000 1.382 1191 H HN 0.279 nan 8.280 nan 0.000 0.523 1192 L N 0.334 121.637 121.223 0.134 0.000 2.109 1192 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 1192 L C 2.009 178.983 176.870 0.173 0.000 1.086 1192 L CA 0.911 55.842 54.840 0.150 0.000 0.760 1192 L CB -0.228 41.958 42.059 0.213 0.000 0.910 1192 L HN 0.141 nan 8.230 nan 0.000 0.437 1193 D N -0.025 120.497 120.400 0.202 0.000 2.117 1193 D HA -0.213 4.425 4.640 -0.003 0.000 0.197 1193 D C 2.185 178.646 176.300 0.268 0.000 0.987 1193 D CA 1.136 55.334 54.000 0.330 0.000 0.829 1193 D CB -0.136 40.879 40.800 0.358 0.000 0.961 1193 D HN 0.365 nan 8.370 nan 0.000 0.460 1194 Q N 0.274 120.126 119.800 0.086 0.000 2.096 1194 Q HA -0.114 4.224 4.340 -0.003 0.000 0.204 1194 Q C 2.399 178.350 176.000 -0.081 0.000 0.982 1194 Q CA 0.877 56.630 55.803 -0.084 0.000 0.850 1194 Q CB -0.002 28.623 28.738 -0.188 0.000 0.901 1194 Q HN 0.099 nan 8.270 nan 0.000 0.422 1195 V N 0.526 120.435 119.914 -0.009 0.000 2.261 1195 V HA -0.312 3.807 4.120 -0.003 0.000 0.246 1195 V C 2.223 178.349 176.094 0.053 0.000 1.047 1195 V CA 1.818 64.119 62.300 0.003 0.000 1.015 1195 V CB -1.024 30.821 31.823 0.037 0.000 0.642 1195 V HN 0.480 nan 8.190 nan 0.000 0.446 1196 A N -0.041 122.864 122.820 0.142 0.000 1.927 1196 A HA -0.294 4.025 4.320 -0.003 0.000 0.220 1196 A C 2.398 180.100 177.584 0.196 0.000 1.185 1196 A CA 2.727 54.916 52.037 0.253 0.000 0.639 1196 A CB -0.933 18.320 19.000 0.423 0.000 0.820 1196 A HN 0.652 nan 8.150 nan 0.000 0.451 1197 A N -0.620 122.101 122.820 -0.165 0.000 1.902 1197 A HA -0.004 4.314 4.320 -0.003 0.000 0.217 1197 A C 2.193 179.696 177.584 -0.135 0.000 1.181 1197 A CA 1.466 53.124 52.037 -0.633 0.000 0.623 1197 A CB -0.559 17.782 19.000 -1.099 0.000 0.818 1197 A HN 0.489 nan 8.150 nan 0.000 0.443 1198 L N -1.267 119.911 121.223 -0.075 0.000 2.046 1198 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 1198 L C 2.795 179.710 176.870 0.075 0.000 1.077 1198 L CA 1.734 56.578 54.840 0.007 0.000 0.747 1198 L CB -0.463 41.584 42.059 -0.019 0.000 0.896 1198 L HN 0.457 nan 8.230 nan 0.000 0.432 1199 R N -0.475 120.081 120.500 0.093 0.000 2.083 1199 R HA -0.261 4.077 4.340 -0.003 0.000 0.237 1199 R C 2.218 178.596 176.300 0.131 0.000 1.137 1199 R CA 2.102 58.267 56.100 0.107 0.000 0.951 1199 R CB -0.515 29.861 30.300 0.126 0.000 0.851 1199 R HN 0.373 nan 8.270 nan 0.000 0.434 1200 W N 0.296 121.611 121.300 0.024 0.000 2.317 1200 W HA -0.265 4.392 4.660 -0.005 0.000 0.318 1200 W C 1.850 178.371 176.519 0.004 0.000 1.227 1200 W CA 1.935 59.301 57.345 0.035 0.000 1.269 1200 W CB -0.521 28.980 29.460 0.068 0.000 1.155 1200 W HN -0.098 nan 8.180 nan 0.000 0.484 1201 V N 0.978 121.086 119.914 0.324 0.000 2.324 1201 V HA -0.408 3.710 4.120 -0.003 0.000 0.250 1201 V C 2.578 178.651 176.094 -0.035 0.000 1.060 1201 V CA 2.272 64.677 62.300 0.175 0.000 1.042 1201 V CB -1.187 30.753 31.823 0.195 0.000 0.650 1201 V HN 0.288 nan 8.190 nan 0.000 0.450 1202 Q N -0.227 119.567 119.800 -0.011 0.000 2.077 1202 Q HA -0.226 4.112 4.340 -0.003 0.000 0.206 1202 Q C 1.965 177.900 176.000 -0.108 0.000 0.989 1202 Q CA 1.897 57.685 55.803 -0.026 0.000 0.853 1202 Q CB -0.468 28.273 28.738 0.004 0.000 0.907 1202 Q HN 0.690 nan 8.270 nan 0.000 0.418 1203 D N -0.720 119.557 120.400 -0.205 0.000 2.348 1203 D HA 0.010 4.648 4.640 -0.003 0.000 0.211 1203 D C 0.951 177.009 176.300 -0.403 0.000 0.998 1203 D CA 0.343 54.181 54.000 -0.270 0.000 0.873 1203 D CB 0.185 40.827 40.800 -0.263 0.000 0.925 1203 D HN 0.278 nan 8.370 nan 0.000 0.524 1204 N N -0.068 118.278 118.700 -0.591 0.000 2.266 1204 N HA 0.016 4.754 4.740 -0.003 0.000 0.217 1204 N C 1.609 176.977 175.510 -0.236 0.000 1.211 1204 N CA -0.220 52.458 53.050 -0.619 0.000 0.881 1204 N CB 0.926 38.546 38.487 -1.445 0.000 1.153 1204 N HN -0.013 nan 8.380 nan 0.000 0.489 1205 I N 2.788 123.257 120.570 -0.168 0.000 2.248 1205 I HA -0.206 3.962 4.170 -0.003 0.000 0.248 1205 I C 2.266 178.487 176.117 0.172 0.000 1.107 1205 I CA 0.872 62.227 61.300 0.092 0.000 1.373 1205 I CB -0.347 37.704 38.000 0.085 0.000 1.055 1205 I HN 0.094 nan 8.210 nan 0.000 0.418 1206 A N -0.868 121.989 122.820 0.061 0.000 1.948 1206 A HA -0.247 4.071 4.320 -0.003 0.000 0.220 1206 A C 2.425 180.035 177.584 0.044 0.000 1.177 1206 A CA 2.221 54.286 52.037 0.048 0.000 0.636 1206 A CB -1.092 17.906 19.000 -0.003 0.000 0.815 1206 A HN 0.482 nan 8.150 nan 0.000 0.449 1207 S N -1.011 114.696 115.700 0.012 0.000 2.440 1207 S HA -0.092 4.376 4.470 -0.003 0.000 0.238 1207 S C 0.820 175.251 174.600 -0.283 0.000 1.010 1207 S CA 1.195 59.305 58.200 -0.151 0.000 0.972 1207 S CB -0.414 62.628 63.200 -0.264 0.000 0.774 1207 S HN 0.576 nan 8.310 nan 0.000 0.501 1208 F N 0.456 120.401 119.950 -0.007 0.000 2.639 1208 F HA 0.401 4.926 4.527 -0.003 0.000 0.302 1208 F C 1.669 177.527 175.800 0.096 0.000 1.097 1208 F CA -0.110 57.916 58.000 0.044 0.000 1.294 1208 F CB 0.009 39.040 39.000 0.052 0.000 1.027 1208 F HN 0.227 nan 8.300 nan 0.000 0.550 1209 G N 0.160 109.072 108.800 0.187 0.000 2.157 1209 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.248 1209 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.248 1209 G C 0.664 175.651 174.900 0.145 0.000 0.979 1209 G CA -0.192 44.998 45.100 0.150 0.000 0.650 1209 G HN 0.749 nan 8.290 nan 0.000 0.529 1210 G N -0.479 108.420 108.800 0.165 0.000 2.502 1210 G HA2 0.520 4.478 3.960 -0.003 0.000 0.305 1210 G HA3 0.520 4.478 3.960 -0.003 0.000 0.305 1210 G C -0.322 174.633 174.900 0.091 0.000 1.190 1210 G CA 0.065 45.246 45.100 0.134 0.000 0.933 1210 G HN 0.755 nan 8.290 nan 0.000 0.503 1211 N N 0.333 119.079 118.700 0.076 0.000 2.511 1211 N HA 0.347 5.085 4.740 -0.003 0.000 0.249 1211 N C -1.585 173.963 175.510 0.064 0.000 0.971 1211 N CA -2.360 50.719 53.050 0.048 0.000 0.938 1211 N CB 2.273 40.773 38.487 0.023 0.000 1.131 1211 N HN 0.082 nan 8.380 nan 0.000 0.505 1212 P HA 0.062 nan 4.420 nan 0.000 0.244 1212 P C 0.617 178.011 177.300 0.157 0.000 1.211 1212 P CA 0.475 63.635 63.100 0.099 0.000 0.760 1212 P CB -0.035 31.698 31.700 0.054 0.000 0.961 1213 G N -1.008 107.819 108.800 0.044 0.000 3.126 1213 G HA2 0.074 4.032 3.960 -0.003 0.000 0.224 1213 G HA3 0.074 4.032 3.960 -0.003 0.000 0.224 1213 G C 0.302 174.941 174.900 -0.435 0.000 1.142 1213 G CA 0.022 45.032 45.100 -0.151 0.000 0.759 1213 G HN 0.176 nan 8.290 nan 0.000 0.550 1214 S N 0.522 116.200 115.700 -0.037 0.000 2.204 1214 S HA 0.395 4.863 4.470 -0.003 0.000 0.147 1214 S C -0.653 174.080 174.600 0.222 0.000 1.711 1214 S CA -0.356 57.864 58.200 0.033 0.000 1.274 1214 S CB 1.498 64.677 63.200 -0.035 0.000 1.257 1214 S HN 0.008 nan 8.310 nan 0.000 0.404 1215 V N 2.220 122.416 119.914 0.470 0.000 2.370 1215 V HA 0.506 4.624 4.120 -0.003 0.000 0.283 1215 V C 0.152 176.377 176.094 0.217 0.000 1.023 1215 V CA -0.370 62.084 62.300 0.256 0.000 0.857 1215 V CB 1.621 33.554 31.823 0.183 0.000 0.985 1215 V HN 0.551 nan 8.190 nan 0.000 0.443 1216 T N 6.557 121.226 114.554 0.191 0.000 2.772 1216 T HA 0.575 4.923 4.350 -0.003 0.000 0.288 1216 T C -0.089 174.792 174.700 0.301 0.000 0.994 1216 T CA -0.171 62.050 62.100 0.203 0.000 0.951 1216 T CB 0.704 69.627 68.868 0.093 0.000 0.933 1216 T HN 0.624 nan 8.240 nan 0.000 0.447 1217 I N 1.655 122.408 120.570 0.305 0.000 2.428 1217 I HA 0.882 5.050 4.170 -0.003 0.000 0.296 1217 I C -0.862 175.502 176.117 0.411 0.000 0.985 1217 I CA -0.960 60.503 61.300 0.272 0.000 1.260 1217 I CB 0.916 38.891 38.000 -0.041 0.000 1.389 1217 I HN 0.507 nan 8.210 nan 0.000 0.484 1218 F N 2.731 122.722 119.950 0.068 0.000 2.641 1218 F HA 0.963 5.489 4.527 -0.002 0.000 0.308 1218 F C -0.566 175.142 175.800 -0.153 0.000 1.105 1218 F CA -1.193 56.872 58.000 0.108 0.000 0.964 1218 F CB 1.178 40.382 39.000 0.339 0.000 1.294 1218 F HN 0.835 nan 8.300 nan 0.000 0.442 1219 G N 1.003 109.602 108.800 -0.336 0.000 2.646 1219 G HA2 0.496 4.454 3.960 -0.003 0.000 0.291 1219 G HA3 0.496 4.454 3.960 -0.003 0.000 0.291 1219 G C -2.491 172.163 174.900 -0.410 0.000 1.445 1219 G CA -0.806 43.684 45.100 -1.017 0.000 0.814 1219 G HN 0.847 nan 8.290 nan 0.000 0.495 1220 E N 0.691 120.648 120.200 -0.405 0.000 2.145 1220 E HA 0.581 4.929 4.350 -0.003 0.000 0.270 1220 E C 0.628 177.266 176.600 0.063 0.000 0.906 1220 E CA 0.426 56.832 56.400 0.010 0.000 0.761 1220 E CB 1.598 31.402 29.700 0.172 0.000 1.116 1220 E HN 0.962 nan 8.360 nan 0.000 0.408 1221 S N 3.851 119.654 115.700 0.171 0.000 4.151 1221 S HA -0.376 4.092 4.470 -0.003 0.000 0.622 1221 S C 1.479 176.180 174.600 0.167 0.000 1.877 1221 S CA 1.998 60.391 58.200 0.321 0.000 4.244 1221 S CB -1.724 61.793 63.200 0.527 0.000 0.203 1221 S HN 0.941 nan 8.310 nan 0.000 0.468 1222 A N 1.401 124.313 122.820 0.154 0.000 1.933 1222 A HA 0.227 4.546 4.320 -0.003 0.000 0.218 1222 A C 2.613 180.180 177.584 -0.028 0.000 1.175 1222 A CA 2.478 54.553 52.037 0.063 0.000 0.628 1222 A CB -1.640 17.422 19.000 0.102 0.000 0.814 1222 A HN 1.718 nan 8.150 nan 0.000 0.444 1223 G N -0.590 108.159 108.800 -0.085 0.000 2.422 1223 G HA2 0.024 3.982 3.960 -0.003 0.000 0.218 1223 G HA3 0.024 3.982 3.960 -0.003 0.000 0.218 1223 G C 1.493 176.232 174.900 -0.268 0.000 1.146 1223 G CA 1.240 46.152 45.100 -0.314 0.000 0.769 1223 G HN 0.691 nan 8.290 nan 0.000 0.547 1224 G N 0.285 109.007 108.800 -0.130 0.000 2.408 1224 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.217 1224 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.217 1224 G C 1.575 176.453 174.900 -0.036 0.000 1.150 1224 G CA 1.107 46.180 45.100 -0.045 0.000 0.776 1224 G HN 0.445 nan 8.290 nan 0.000 0.542 1225 E N 1.045 121.225 120.200 -0.033 0.000 2.150 1225 E HA -0.086 4.262 4.350 -0.003 0.000 0.193 1225 E C 2.445 178.979 176.600 -0.110 0.000 0.985 1225 E CA 1.110 57.476 56.400 -0.057 0.000 0.814 1225 E CB -0.252 29.418 29.700 -0.051 0.000 0.752 1225 E HN 0.330 nan 8.360 nan 0.000 0.466 1226 S N 0.123 115.756 115.700 -0.110 0.000 2.383 1226 S HA -0.100 4.369 4.470 -0.003 0.000 0.227 1226 S C 2.087 176.525 174.600 -0.270 0.000 1.026 1226 S CA 1.085 59.197 58.200 -0.147 0.000 0.981 1226 S CB -0.081 63.022 63.200 -0.162 0.000 0.818 1226 S HN 0.150 nan 8.310 nan 0.000 0.472 1227 V N 1.014 120.778 119.914 -0.250 0.000 2.358 1227 V HA -0.096 4.022 4.120 -0.003 0.000 0.246 1227 V C 2.478 178.381 176.094 -0.319 0.000 1.047 1227 V CA 1.824 63.948 62.300 -0.294 0.000 1.035 1227 V CB -0.709 31.007 31.823 -0.179 0.000 0.658 1227 V HN 0.522 nan 8.190 nan 0.000 0.452 1228 S N -0.770 114.811 115.700 -0.198 0.000 2.428 1228 S HA -0.110 4.358 4.470 -0.003 0.000 0.230 1228 S C 1.892 176.357 174.600 -0.225 0.000 1.014 1228 S CA 1.291 59.389 58.200 -0.169 0.000 0.957 1228 S CB -0.033 63.160 63.200 -0.011 0.000 0.784 1228 S HN 0.317 nan 8.310 nan 0.000 0.499 1229 V N 1.910 121.660 119.914 -0.273 0.000 2.255 1229 V HA -0.080 4.038 4.120 -0.003 0.000 0.243 1229 V C 2.329 178.228 176.094 -0.326 0.000 1.038 1229 V CA 1.739 63.847 62.300 -0.319 0.000 1.008 1229 V CB -0.613 30.912 31.823 -0.497 0.000 0.645 1229 V HN 0.470 nan 8.190 nan 0.000 0.449 1230 L N -0.202 120.785 121.223 -0.394 0.000 2.043 1230 L HA -0.209 4.129 4.340 -0.003 0.000 0.212 1230 L C 2.434 179.075 176.870 -0.382 0.000 1.075 1230 L CA 1.273 55.857 54.840 -0.427 0.000 0.752 1230 L CB -0.819 40.872 42.059 -0.613 0.000 0.891 1230 L HN 0.214 nan 8.230 nan 0.000 0.432 1231 V N -0.083 119.620 119.914 -0.352 0.000 2.594 1231 V HA -0.256 3.862 4.120 -0.003 0.000 0.253 1231 V C 2.138 178.146 176.094 -0.143 0.000 1.069 1231 V CA 1.478 63.711 62.300 -0.111 0.000 1.082 1231 V CB -0.309 31.378 31.823 -0.226 0.000 0.680 1231 V HN 0.398 nan 8.190 nan 0.000 0.469 1232 L N -0.913 120.214 121.223 -0.160 0.000 2.567 1232 L HA 0.160 4.498 4.340 -0.003 0.000 0.225 1232 L C 1.205 178.022 176.870 -0.089 0.000 1.119 1232 L CA 0.150 54.942 54.840 -0.080 0.000 0.871 1232 L CB 0.214 42.212 42.059 -0.102 0.000 1.036 1232 L HN 0.229 nan 8.230 nan 0.000 0.459 1233 S N -0.408 115.197 115.700 -0.158 0.000 2.554 1233 S HA 0.276 4.745 4.470 -0.003 0.000 0.278 1233 S C -1.710 172.889 174.600 -0.002 0.000 1.242 1233 S CA -1.412 56.737 58.200 -0.086 0.000 1.051 1233 S CB 1.401 64.531 63.200 -0.117 0.000 0.986 1233 S HN -0.130 nan 8.310 nan 0.000 0.502 1234 P HA 0.073 nan 4.420 nan 0.000 0.218 1234 P C 1.033 178.422 177.300 0.148 0.000 1.152 1234 P CA 0.769 63.979 63.100 0.184 0.000 0.826 1234 P CB 0.025 31.796 31.700 0.118 0.000 0.790 1235 L N -1.444 119.828 121.223 0.083 0.000 2.549 1235 L HA -0.034 4.304 4.340 -0.003 0.000 0.230 1235 L C 1.940 178.859 176.870 0.081 0.000 1.162 1235 L CA 0.920 55.803 54.840 0.072 0.000 0.834 1235 L CB -0.857 41.230 42.059 0.048 0.000 0.947 1235 L HN -0.020 nan 8.230 nan 0.000 0.452 1236 A N -0.593 122.288 122.820 0.103 0.000 2.303 1236 A HA 0.035 4.354 4.320 -0.003 0.000 0.217 1236 A C 1.085 178.854 177.584 0.308 0.000 1.205 1236 A CA -0.288 51.830 52.037 0.135 0.000 0.875 1236 A CB 0.031 19.032 19.000 0.001 0.000 0.910 1236 A HN 0.203 nan 8.150 nan 0.000 0.501 1237 K N 1.458 122.061 120.400 0.338 0.000 2.550 1237 K HA -0.103 4.215 4.320 -0.003 0.000 0.280 1237 K C -0.192 176.497 176.600 0.149 0.000 0.987 1237 K CA 0.732 57.221 56.287 0.336 0.000 1.048 1237 K CB -0.035 32.584 32.500 0.198 0.000 0.879 1237 K HN 0.445 nan 8.250 nan 0.000 0.491 1238 N N 2.086 120.820 118.700 0.057 0.000 2.753 1238 N HA -0.235 4.503 4.740 -0.003 0.000 0.251 1238 N C 0.283 175.782 175.510 -0.019 0.000 1.097 1238 N CA 1.258 54.305 53.050 -0.005 0.000 0.786 1238 N CB -1.052 37.446 38.487 0.019 0.000 1.137 1238 N HN 0.586 nan 8.380 nan 0.000 0.566 1239 L N -1.343 119.907 121.223 0.044 0.000 2.575 1239 L HA 0.245 4.583 4.340 -0.003 0.000 0.228 1239 L C 0.567 177.460 176.870 0.038 0.000 1.075 1239 L CA 0.287 55.170 54.840 0.072 0.000 0.867 1239 L CB 0.049 42.195 42.059 0.145 0.000 1.097 1239 L HN 0.127 nan 8.230 nan 0.000 0.485 1240 F N -3.692 116.049 119.950 -0.349 0.000 2.650 1240 F HA 0.548 5.073 4.527 -0.003 0.000 0.320 1240 F C 0.639 176.091 175.800 -0.579 0.000 1.091 1240 F CA -1.096 56.671 58.000 -0.388 0.000 0.962 1240 F CB 0.705 39.611 39.000 -0.158 0.000 1.363 1240 F HN -0.157 nan 8.300 nan 0.000 0.482 1241 H N -0.867 118.157 119.070 -0.076 0.000 2.824 1241 H HA 0.374 4.928 4.556 -0.002 0.000 0.238 1241 H C -0.089 175.148 175.328 -0.151 0.000 0.931 1241 H CA 0.066 55.991 56.048 -0.205 0.000 1.090 1241 H CB 0.563 30.256 29.762 -0.115 0.000 1.433 1241 H HN 0.280 nan 8.280 nan 0.000 0.437 1242 R N 1.048 121.598 120.500 0.084 0.000 2.778 1242 R HA 0.784 5.122 4.340 -0.003 0.000 0.277 1242 R C -0.580 175.897 176.300 0.296 0.000 0.977 1242 R CA -0.903 55.226 56.100 0.048 0.000 0.950 1242 R CB 1.937 32.100 30.300 -0.229 0.000 1.165 1242 R HN 0.165 nan 8.270 nan 0.000 0.474 1243 A N 2.044 125.117 122.820 0.422 0.000 2.422 1243 A HA 0.738 5.057 4.320 -0.003 0.000 0.302 1243 A C -0.878 176.994 177.584 0.479 0.000 1.041 1243 A CA -0.718 51.540 52.037 0.369 0.000 0.708 1243 A CB 1.187 20.234 19.000 0.079 0.000 1.257 1243 A HN 0.616 nan 8.150 nan 0.000 0.414 1244 I N 1.810 122.600 120.570 0.367 0.000 2.468 1244 I HA 0.263 4.432 4.170 -0.003 0.000 0.284 1244 I C -0.149 176.169 176.117 0.334 0.000 1.038 1244 I CA -0.269 61.202 61.300 0.285 0.000 1.083 1244 I CB 2.213 40.303 38.000 0.151 0.000 1.223 1244 I HN 0.499 nan 8.210 nan 0.000 0.443 1245 S N 5.323 121.222 115.700 0.332 0.000 2.466 1245 S HA 0.253 4.721 4.470 -0.003 0.000 0.313 1245 S C -0.106 174.616 174.600 0.203 0.000 1.078 1245 S CA -0.556 57.788 58.200 0.240 0.000 1.115 1245 S CB 0.235 63.589 63.200 0.257 0.000 1.006 1245 S HN 0.475 nan 8.310 nan 0.000 0.487 1246 E N 2.123 122.482 120.200 0.265 0.000 1.941 1246 E HA 0.231 4.579 4.350 -0.003 0.000 0.275 1246 E C -0.273 176.442 176.600 0.191 0.000 1.113 1246 E CA -0.364 56.226 56.400 0.316 0.000 0.878 1246 E CB 0.302 30.268 29.700 0.444 0.000 1.070 1246 E HN 0.607 nan 8.360 nan 0.000 0.399 1247 S N 1.810 117.597 115.700 0.146 0.000 3.791 1247 S HA -0.111 4.358 4.470 -0.003 0.000 0.393 1247 S C 0.013 174.870 174.600 0.427 0.000 0.936 1247 S CA 0.397 58.721 58.200 0.207 0.000 1.234 1247 S CB -1.116 62.123 63.200 0.065 0.000 0.891 1247 S HN 0.902 nan 8.310 nan 0.000 0.519 1248 G N -0.749 108.239 108.800 0.314 0.000 2.219 1248 G HA2 0.533 4.491 3.960 -0.003 0.000 0.304 1248 G HA3 0.533 4.491 3.960 -0.003 0.000 0.304 1248 G C -0.882 174.070 174.900 0.086 0.000 1.712 1248 G CA 0.155 45.394 45.100 0.231 0.000 0.905 1248 G HN 1.550 nan 8.290 nan 0.000 0.706 1249 V N -0.699 119.221 119.914 0.009 0.000 3.181 1249 V HA 0.911 5.029 4.120 -0.003 0.000 0.308 1249 V C 1.278 177.329 176.094 -0.072 0.000 1.214 1249 V CA -0.101 62.189 62.300 -0.018 0.000 1.053 1249 V CB 1.261 33.070 31.823 -0.024 0.000 1.069 1249 V HN 2.206 nan 8.190 nan 0.000 0.441 1250 A N 0.127 122.900 122.820 -0.079 0.000 2.272 1250 A HA 0.127 4.446 4.320 -0.003 0.000 0.213 1250 A C 1.369 178.880 177.584 -0.121 0.000 1.183 1250 A CA 1.782 53.751 52.037 -0.114 0.000 0.719 1250 A CB -0.794 18.131 19.000 -0.125 0.000 0.771 1250 A HN 0.893 nan 8.150 nan 0.000 0.484 1251 L N -0.992 120.160 121.223 -0.118 0.000 2.906 1251 L HA 0.098 4.436 4.340 -0.003 0.000 0.255 1251 L C 0.119 176.888 176.870 -0.168 0.000 1.166 1251 L CA -0.145 54.617 54.840 -0.130 0.000 0.977 1251 L CB 0.541 42.536 42.059 -0.106 0.000 1.313 1251 L HN 0.040 nan 8.230 nan 0.000 0.549 1252 T N 0.480 114.920 114.554 -0.190 0.000 3.162 1252 T HA -0.000 4.348 4.350 -0.003 0.000 0.264 1252 T C 1.506 176.045 174.700 -0.268 0.000 0.959 1252 T CA 0.314 62.248 62.100 -0.278 0.000 1.118 1252 T CB 0.313 68.996 68.868 -0.309 0.000 0.979 1252 T HN 0.362 nan 8.240 nan 0.000 0.679 1253 S N 2.369 117.908 115.700 -0.268 0.000 2.511 1253 S HA -0.229 4.240 4.470 -0.003 0.000 0.282 1253 S C 2.021 176.467 174.600 -0.258 0.000 1.179 1253 S CA 1.631 59.671 58.200 -0.267 0.000 1.125 1253 S CB -0.768 62.252 63.200 -0.301 0.000 1.035 1253 S HN 0.564 nan 8.310 nan 0.000 0.452 1254 V N 1.103 120.857 119.914 -0.267 0.000 3.129 1254 V HA 0.158 4.276 4.120 -0.003 0.000 0.259 1254 V C 1.655 177.634 176.094 -0.191 0.000 1.116 1254 V CA 1.111 63.276 62.300 -0.225 0.000 1.127 1254 V CB -0.398 31.295 31.823 -0.216 0.000 0.742 1254 V HN 0.565 nan 8.190 nan 0.000 0.474 1255 L N -0.498 120.611 121.223 -0.191 0.000 2.416 1255 L HA 0.213 4.551 4.340 -0.003 0.000 0.216 1255 L C 0.519 177.292 176.870 -0.161 0.000 1.098 1255 L CA 0.151 54.885 54.840 -0.177 0.000 0.840 1255 L CB 0.279 42.245 42.059 -0.155 0.000 0.981 1255 L HN 0.051 nan 8.230 nan 0.000 0.462 1256 V N 1.491 121.315 119.914 -0.151 0.000 2.350 1256 V HA 0.179 4.297 4.120 -0.003 0.000 0.276 1256 V C -0.086 175.929 176.094 -0.132 0.000 1.028 1256 V CA -0.692 61.531 62.300 -0.128 0.000 0.860 1256 V CB 1.058 32.805 31.823 -0.128 0.000 0.990 1256 V HN 0.183 nan 8.190 nan 0.000 0.453 1257 K N 4.628 124.960 120.400 -0.114 0.000 2.268 1257 K HA 0.521 4.839 4.320 -0.003 0.000 0.276 1257 K C -0.583 175.958 176.600 -0.098 0.000 1.080 1257 K CA -0.675 55.546 56.287 -0.109 0.000 0.910 1257 K CB 1.239 33.679 32.500 -0.101 0.000 1.163 1257 K HN 0.412 nan 8.250 nan 0.000 0.465 1258 K N 1.093 121.433 120.400 -0.101 0.000 2.095 1258 K HA 0.612 4.931 4.320 -0.003 0.000 0.252 1258 K C 0.277 176.832 176.600 -0.075 0.000 0.977 1258 K CA 0.224 56.459 56.287 -0.087 0.000 0.900 1258 K CB 1.725 34.171 32.500 -0.091 0.000 1.060 1258 K HN 0.729 nan 8.250 nan 0.000 0.449 1259 G N 1.120 109.882 108.800 -0.063 0.000 2.549 1259 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.404 1259 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.404 1259 G C -1.422 173.447 174.900 -0.051 0.000 1.292 1259 G CA -0.635 44.435 45.100 -0.050 0.000 0.935 1259 G HN 0.673 nan 8.290 nan 0.000 0.512 1260 D N -0.290 120.085 120.400 -0.041 0.000 2.348 1260 D HA 0.414 5.052 4.640 -0.003 0.000 0.253 1260 D C 1.713 177.982 176.300 -0.053 0.000 1.161 1260 D CA 0.619 54.593 54.000 -0.044 0.000 0.876 1260 D CB 1.427 42.208 40.800 -0.032 0.000 1.160 1260 D HN 1.267 nan 8.370 nan 0.000 0.459 1261 V N 1.958 121.830 119.914 -0.071 0.000 3.307 1261 V HA 0.128 4.246 4.120 -0.003 0.000 0.253 1261 V C 2.116 178.150 176.094 -0.099 0.000 1.149 1261 V CA 0.377 62.621 62.300 -0.092 0.000 1.112 1261 V CB -0.439 31.307 31.823 -0.127 0.000 0.777 1261 V HN 0.341 nan 8.190 nan 0.000 0.464 1262 K N 1.950 122.301 120.400 -0.083 0.000 2.107 1262 K HA -0.134 4.184 4.320 -0.003 0.000 0.211 1262 K C -0.143 176.427 176.600 -0.050 0.000 1.049 1262 K CA 2.732 58.977 56.287 -0.069 0.000 0.927 1262 K CB -1.703 30.773 32.500 -0.040 0.000 0.714 1262 K HN 0.474 nan 8.250 nan 0.000 0.452 1263 P HA -0.184 nan 4.420 nan 0.000 0.215 1263 P C 1.360 178.652 177.300 -0.012 0.000 1.153 1263 P CA 0.937 64.026 63.100 -0.018 0.000 0.853 1263 P CB 0.028 31.720 31.700 -0.014 0.000 0.788 1264 L N -0.644 120.565 121.223 -0.024 0.000 2.005 1264 L HA -0.147 4.191 4.340 -0.003 0.000 0.207 1264 L C 2.152 179.023 176.870 0.003 0.000 1.072 1264 L CA 2.210 57.049 54.840 -0.001 0.000 0.744 1264 L CB -1.316 40.737 42.059 -0.011 0.000 0.895 1264 L HN -0.041 nan 8.230 nan 0.000 0.433 1265 A N 0.086 122.856 122.820 -0.083 0.000 1.884 1265 A HA -0.299 4.019 4.320 -0.003 0.000 0.219 1265 A C 2.002 179.637 177.584 0.086 0.000 1.197 1265 A CA 2.229 54.207 52.037 -0.098 0.000 0.637 1265 A CB -0.728 18.085 19.000 -0.312 0.000 0.827 1265 A HN 0.625 nan 8.150 nan 0.000 0.450 1266 E N -1.059 119.165 120.200 0.040 0.000 2.110 1266 E HA -0.252 4.097 4.350 -0.003 0.000 0.193 1266 E C 2.293 178.924 176.600 0.052 0.000 0.988 1266 E CA 1.205 57.637 56.400 0.053 0.000 0.804 1266 E CB -0.188 29.527 29.700 0.026 0.000 0.745 1266 E HN 0.803 nan 8.360 nan 0.000 0.458 1267 Q N 0.664 120.491 119.800 0.044 0.000 2.084 1267 Q HA -0.185 4.153 4.340 -0.003 0.000 0.202 1267 Q C 2.169 178.200 176.000 0.052 0.000 0.978 1267 Q CA 1.160 56.983 55.803 0.035 0.000 0.844 1267 Q CB 0.030 28.784 28.738 0.026 0.000 0.898 1267 Q HN 0.333 nan 8.270 nan 0.000 0.426 1268 I N 0.285 120.915 120.570 0.100 0.000 2.233 1268 I HA -0.223 3.945 4.170 -0.003 0.000 0.243 1268 I C 2.465 178.641 176.117 0.097 0.000 1.093 1268 I CA 0.755 62.134 61.300 0.132 0.000 1.380 1268 I CB -0.477 37.671 38.000 0.246 0.000 1.067 1268 I HN 0.243 nan 8.210 nan 0.000 0.413 1269 A N 1.592 124.484 122.820 0.121 0.000 1.859 1269 A HA -0.248 4.070 4.320 -0.003 0.000 0.217 1269 A C 2.261 179.860 177.584 0.025 0.000 1.198 1269 A CA 1.887 53.960 52.037 0.060 0.000 0.629 1269 A CB -1.112 17.938 19.000 0.083 0.000 0.830 1269 A HN 0.376 nan 8.150 nan 0.000 0.446 1270 I N -0.210 120.378 120.570 0.030 0.000 2.236 1270 I HA -0.296 3.872 4.170 -0.003 0.000 0.249 1270 I C 2.510 178.630 176.117 0.006 0.000 1.102 1270 I CA 1.882 63.191 61.300 0.015 0.000 1.365 1270 I CB -0.594 37.415 38.000 0.015 0.000 1.051 1270 I HN 0.323 nan 8.210 nan 0.000 0.420 1271 T N 0.387 114.945 114.554 0.008 0.000 2.812 1271 T HA -0.036 4.312 4.350 -0.003 0.000 0.264 1271 T C 1.869 176.566 174.700 -0.005 0.000 1.042 1271 T CA 1.236 63.335 62.100 -0.002 0.000 1.140 1271 T CB -0.226 68.638 68.868 -0.006 0.000 0.870 1271 T HN 0.479 nan 8.240 nan 0.000 0.445 1272 A N 0.692 123.508 122.820 -0.007 0.000 2.235 1272 A HA 0.483 4.801 4.320 -0.003 0.000 0.208 1272 A C 1.527 179.099 177.584 -0.021 0.000 1.172 1272 A CA 0.585 52.610 52.037 -0.019 0.000 0.786 1272 A CB -0.930 18.044 19.000 -0.043 0.000 0.804 1272 A HN 0.803 nan 8.150 nan 0.000 0.479 1273 G N -1.393 107.399 108.800 -0.013 0.000 2.473 1273 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.289 1273 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.289 1273 G C -0.257 174.634 174.900 -0.016 0.000 1.084 1273 G CA -0.034 45.059 45.100 -0.012 0.000 1.215 1273 G HN 0.707 nan 8.290 nan 0.000 0.527 1274 c N 0.838 119.431 118.600 -0.012 0.000 2.898 1274 c HA 0.708 5.276 4.570 -0.003 0.000 0.304 1274 c C 0.750 174.841 174.090 0.002 0.000 1.237 1274 c CA -1.163 55.159 56.329 -0.012 0.000 1.529 1274 c CB 1.990 44.485 42.510 -0.025 0.000 2.021 1274 c HN 0.742 nan 8.230 nan 0.000 0.474 1275 K N 0.344 120.748 120.400 0.007 0.000 2.118 1275 K HA 0.435 4.753 4.320 -0.003 0.000 0.240 1275 K C 0.660 177.272 176.600 0.020 0.000 1.035 1275 K CA 0.080 56.374 56.287 0.013 0.000 0.899 1275 K CB 0.391 32.900 32.500 0.014 0.000 1.085 1275 K HN 0.861 nan 8.250 nan 0.000 0.498 1276 T N -3.532 111.035 114.554 0.021 0.000 3.170 1276 T HA 0.047 4.396 4.350 -0.003 0.000 0.288 1276 T C 1.220 175.934 174.700 0.023 0.000 0.992 1276 T CA -0.327 61.790 62.100 0.028 0.000 0.909 1276 T CB 0.071 68.956 68.868 0.027 0.000 1.133 1276 T HN 0.448 nan 8.240 nan 0.000 0.530 1277 T N 3.258 117.822 114.554 0.017 0.000 2.602 1277 T HA -0.154 4.194 4.350 -0.003 0.000 0.264 1277 T C 1.208 175.916 174.700 0.013 0.000 1.085 1277 T CA 2.354 64.461 62.100 0.012 0.000 1.164 1277 T CB -0.676 68.197 68.868 0.007 0.000 0.860 1277 T HN 0.877 nan 8.240 nan 0.000 0.442 1278 T N -2.799 111.762 114.554 0.012 0.000 2.812 1278 T HA 0.551 4.900 4.350 -0.003 0.000 0.294 1278 T C 0.967 175.682 174.700 0.024 0.000 1.159 1278 T CA -0.318 61.791 62.100 0.015 0.000 1.008 1278 T CB 1.761 70.622 68.868 -0.012 0.000 1.289 1278 T HN -0.141 nan 8.240 nan 0.000 0.514 1279 S N 0.011 115.745 115.700 0.056 0.000 2.368 1279 S HA 0.027 4.495 4.470 -0.003 0.000 0.224 1279 S C 2.469 177.075 174.600 0.009 0.000 1.029 1279 S CA 1.272 59.533 58.200 0.102 0.000 0.988 1279 S CB -1.005 62.344 63.200 0.249 0.000 0.838 1279 S HN 0.898 nan 8.310 nan 0.000 0.462 1280 A N 1.204 123.878 122.820 -0.243 0.000 1.873 1280 A HA -0.126 4.192 4.320 -0.003 0.000 0.218 1280 A C 2.337 179.858 177.584 -0.105 0.000 1.193 1280 A CA 1.945 53.741 52.037 -0.401 0.000 0.629 1280 A CB -1.147 17.514 19.000 -0.564 0.000 0.826 1280 A HN 0.345 nan 8.150 nan 0.000 0.447 1281 V N -0.126 119.754 119.914 -0.055 0.000 2.261 1281 V HA -0.362 3.756 4.120 -0.003 0.000 0.246 1281 V C 2.681 178.804 176.094 0.048 0.000 1.047 1281 V CA 2.440 64.752 62.300 0.019 0.000 1.015 1281 V CB -0.741 31.089 31.823 0.011 0.000 0.642 1281 V HN 0.610 nan 8.190 nan 0.000 0.446 1282 M N -0.581 119.043 119.600 0.040 0.000 2.088 1282 M HA -0.227 4.252 4.480 -0.003 0.000 0.256 1282 M C 2.165 178.450 176.300 -0.025 0.000 1.071 1282 M CA 2.066 57.388 55.300 0.038 0.000 1.097 1282 M CB -0.747 31.922 32.600 0.116 0.000 1.315 1282 M HN 0.267 nan 8.290 nan 0.000 0.406 1283 V N -0.483 119.440 119.914 0.015 0.000 2.287 1283 V HA -0.321 3.797 4.120 -0.003 0.000 0.248 1283 V C 2.305 178.406 176.094 0.012 0.000 1.053 1283 V CA 2.558 64.829 62.300 -0.050 0.000 1.027 1283 V CB -1.197 30.683 31.823 0.095 0.000 0.646 1283 V HN 0.510 nan 8.190 nan 0.000 0.447 1284 H N -0.599 118.457 119.070 -0.023 0.000 2.353 1284 H HA -0.211 4.331 4.556 -0.022 0.000 0.300 1284 H C 2.371 177.688 175.328 -0.018 0.000 1.090 1284 H CA 2.208 58.250 56.048 -0.011 0.000 1.327 1284 H CB -0.715 29.032 29.762 -0.025 0.000 1.383 1284 H HN 0.463 nan 8.280 nan 0.000 0.508 1285 c N 0.074 118.601 118.600 -0.122 0.000 2.413 1285 c HA -0.144 4.424 4.570 -0.003 0.000 0.278 1285 c C 2.839 176.824 174.090 -0.174 0.000 1.224 1285 c CA 1.332 57.559 56.329 -0.169 0.000 1.732 1285 c CB -1.473 40.997 42.510 -0.067 0.000 2.050 1285 c HN 0.688 nan 8.230 nan 0.000 0.463 1286 L N 0.372 121.505 121.223 -0.150 0.000 2.187 1286 L HA -0.132 4.206 4.340 -0.003 0.000 0.213 1286 L C 2.986 179.845 176.870 -0.019 0.000 1.100 1286 L CA 1.418 56.182 54.840 -0.127 0.000 0.765 1286 L CB -0.640 41.232 42.059 -0.312 0.000 0.904 1286 L HN 0.387 nan 8.230 nan 0.000 0.437 1287 R N -0.358 120.135 120.500 -0.011 0.000 2.237 1287 R HA -0.136 4.202 4.340 -0.003 0.000 0.219 1287 R C 1.848 178.068 176.300 -0.133 0.000 1.080 1287 R CA 0.869 56.939 56.100 -0.051 0.000 0.995 1287 R CB -0.060 30.226 30.300 -0.024 0.000 0.875 1287 R HN 0.466 nan 8.270 nan 0.000 0.462 1288 Q N -0.149 119.545 119.800 -0.177 0.000 2.392 1288 Q HA 0.057 4.395 4.340 -0.003 0.000 0.203 1288 Q C -0.169 175.773 176.000 -0.098 0.000 0.917 1288 Q CA 0.320 56.033 55.803 -0.150 0.000 0.939 1288 Q CB 0.554 29.175 28.738 -0.195 0.000 1.063 1288 Q HN -0.110 nan 8.270 nan 0.000 0.516 1289 K N 1.712 122.057 120.400 -0.092 0.000 2.382 1289 K HA 0.071 4.389 4.320 -0.003 0.000 0.275 1289 K C 0.343 176.923 176.600 -0.034 0.000 1.009 1289 K CA 0.111 56.362 56.287 -0.061 0.000 0.970 1289 K CB 0.529 32.987 32.500 -0.070 0.000 0.934 1289 K HN 0.194 nan 8.250 nan 0.000 0.479 1290 T N -2.049 112.503 114.554 -0.004 0.000 2.766 1290 T HA 0.039 4.387 4.350 -0.003 0.000 0.295 1290 T C 1.343 176.097 174.700 0.090 0.000 1.024 1290 T CA -0.500 61.616 62.100 0.027 0.000 1.018 1290 T CB 0.963 69.845 68.868 0.024 0.000 1.002 1290 T HN 0.620 nan 8.240 nan 0.000 0.532 1291 E N 0.130 120.409 120.200 0.131 0.000 2.058 1291 E HA -0.258 4.090 4.350 -0.003 0.000 0.194 1291 E C 1.954 178.711 176.600 0.261 0.000 0.997 1291 E CA 1.644 58.203 56.400 0.265 0.000 0.801 1291 E CB -0.162 29.619 29.700 0.134 0.000 0.746 1291 E HN 0.840 nan 8.360 nan 0.000 0.450 1292 E N 1.033 121.313 120.200 0.134 0.000 2.049 1292 E HA -0.254 4.095 4.350 -0.003 0.000 0.198 1292 E C 1.821 178.492 176.600 0.118 0.000 1.007 1292 E CA 2.164 58.629 56.400 0.107 0.000 0.809 1292 E CB -0.168 29.566 29.700 0.056 0.000 0.749 1292 E HN 0.366 nan 8.360 nan 0.000 0.450 1293 E N -0.005 120.246 120.200 0.086 0.000 2.070 1293 E HA -0.203 4.145 4.350 -0.003 0.000 0.197 1293 E C 2.294 178.932 176.600 0.062 0.000 1.004 1293 E CA 1.543 57.975 56.400 0.054 0.000 0.805 1293 E CB -0.271 29.440 29.700 0.019 0.000 0.744 1293 E HN 0.341 nan 8.360 nan 0.000 0.451 1294 L N 0.488 121.752 121.223 0.069 0.000 2.083 1294 L HA -0.184 4.154 4.340 -0.003 0.000 0.209 1294 L C 2.571 179.532 176.870 0.151 0.000 1.083 1294 L CA 0.359 55.180 54.840 -0.031 0.000 0.752 1294 L CB -0.356 41.482 42.059 -0.368 0.000 0.899 1294 L HN 0.207 nan 8.230 nan 0.000 0.433 1295 L N 0.105 121.545 121.223 0.361 0.000 2.083 1295 L HA -0.194 4.144 4.340 -0.003 0.000 0.209 1295 L C 2.290 179.279 176.870 0.199 0.000 1.083 1295 L CA 1.777 56.838 54.840 0.369 0.000 0.752 1295 L CB -0.472 41.748 42.059 0.269 0.000 0.899 1295 L HN 0.201 nan 8.230 nan 0.000 0.433 1296 E N -1.455 118.824 120.200 0.130 0.000 2.152 1296 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 1296 E C 1.872 178.510 176.600 0.065 0.000 0.983 1296 E CA 1.378 57.826 56.400 0.079 0.000 0.818 1296 E CB -0.026 29.705 29.700 0.052 0.000 0.758 1296 E HN 0.507 nan 8.360 nan 0.000 0.467 1297 T N 0.210 114.805 114.554 0.068 0.000 2.857 1297 T HA -0.094 4.255 4.350 -0.003 0.000 0.266 1297 T C 1.929 176.678 174.700 0.083 0.000 1.048 1297 T CA 1.464 63.592 62.100 0.048 0.000 1.139 1297 T CB -0.224 68.662 68.868 0.029 0.000 0.874 1297 T HN 0.182 nan 8.240 nan 0.000 0.455 1298 T N 2.859 117.516 114.554 0.171 0.000 2.708 1298 T HA 0.025 4.373 4.350 -0.003 0.000 0.266 1298 T C 2.002 176.803 174.700 0.167 0.000 1.037 1298 T CA 0.914 63.191 62.100 0.296 0.000 1.146 1298 T CB -0.498 68.604 68.868 0.390 0.000 0.865 1298 T HN 0.260 nan 8.240 nan 0.000 0.435 1299 L N 0.600 121.893 121.223 0.116 0.000 1.989 1299 L HA -0.138 4.201 4.340 -0.003 0.000 0.211 1299 L C 2.720 179.580 176.870 -0.016 0.000 1.071 1299 L CA 1.549 56.423 54.840 0.057 0.000 0.749 1299 L CB -0.613 41.477 42.059 0.052 0.000 0.890 1299 L HN 0.219 nan 8.230 nan 0.000 0.431 1300 K N -0.390 119.994 120.400 -0.026 0.000 2.074 1300 K HA -0.186 4.132 4.320 -0.003 0.000 0.209 1300 K C 2.086 178.596 176.600 -0.150 0.000 1.048 1300 K CA 1.337 57.585 56.287 -0.064 0.000 0.926 1300 K CB -0.211 32.263 32.500 -0.043 0.000 0.713 1300 K HN 0.215 nan 8.250 nan 0.000 0.444 1301 M N 0.818 120.266 119.600 -0.255 0.000 2.346 1301 M HA -0.095 4.383 4.480 -0.003 0.000 0.263 1301 M C 0.446 176.414 176.300 -0.553 0.000 1.064 1301 M CA 0.976 55.950 55.300 -0.542 0.000 1.083 1301 M CB -0.911 30.995 32.600 -1.157 0.000 1.399 1301 M HN -0.006 nan 8.290 nan 0.000 0.435 1302 K N 0.789 120.995 120.400 -0.323 0.000 3.451 1302 K HA -0.167 4.151 4.320 -0.003 0.000 0.273 1302 K C -0.728 175.787 176.600 -0.141 0.000 0.944 1302 K CA 0.198 56.389 56.287 -0.161 0.000 0.734 1302 K CB -1.784 30.650 32.500 -0.110 0.000 1.437 1302 K HN 0.156 nan 8.250 nan 0.000 0.454 1303 F N 0.859 120.828 119.950 0.030 0.000 2.480 1303 F HA 0.146 4.671 4.527 -0.004 0.000 0.319 1303 F C 1.631 177.445 175.800 0.023 0.000 1.230 1303 F CA -0.132 57.885 58.000 0.028 0.000 1.285 1303 F CB 0.276 39.303 39.000 0.045 0.000 1.208 1303 F HN 0.087 nan 8.300 nan 0.000 0.579 1304 L N 0.725 122.114 121.223 0.278 0.000 3.976 1304 L HA -0.278 4.060 4.340 -0.003 0.000 0.418 1304 L C -0.191 176.740 176.870 0.102 0.000 1.177 1304 L CA 0.843 55.771 54.840 0.146 0.000 0.968 1304 L CB -2.244 39.885 42.059 0.117 0.000 1.933 1304 L HN 0.535 nan 8.230 nan 0.000 0.976 1305 S N -0.896 114.860 115.700 0.095 0.000 2.541 1305 S HA 0.691 5.159 4.470 -0.003 0.000 0.280 1305 S C -0.708 173.923 174.600 0.052 0.000 1.112 1305 S CA -0.838 57.400 58.200 0.063 0.000 0.925 1305 S CB 1.530 64.750 63.200 0.034 0.000 1.067 1305 S HN 0.188 nan 8.310 nan 0.000 0.479 1306 L N 4.057 125.309 121.223 0.048 0.000 2.369 1306 L HA 0.408 4.746 4.340 -0.003 0.000 0.279 1306 L C -0.263 176.583 176.870 -0.040 0.000 1.108 1306 L CA 0.234 55.075 54.840 0.002 0.000 0.852 1306 L CB 0.392 42.414 42.059 -0.062 0.000 1.169 1306 L HN 0.574 nan 8.230 nan 0.000 0.452 1307 D N 4.720 125.096 120.400 -0.040 0.000 2.338 1307 D HA 0.082 4.720 4.640 -0.003 0.000 0.255 1307 D C 0.817 177.080 176.300 -0.061 0.000 1.237 1307 D CA 0.267 54.238 54.000 -0.048 0.000 0.883 1307 D CB 0.738 41.510 40.800 -0.046 0.000 1.087 1307 D HN 0.588 nan 8.370 nan 0.000 0.485 1308 L N 2.294 123.485 121.223 -0.054 0.000 2.592 1308 L HA 0.109 4.448 4.340 -0.003 0.000 0.227 1308 L C 1.174 178.029 176.870 -0.025 0.000 1.127 1308 L CA 0.189 55.001 54.840 -0.048 0.000 0.884 1308 L CB 0.104 42.135 42.059 -0.047 0.000 1.065 1308 L HN 0.314 nan 8.230 nan 0.000 0.457 1309 Q N 0.110 119.894 119.800 -0.025 0.000 2.351 1309 Q HA 0.503 4.841 4.340 -0.003 0.000 0.273 1309 Q C 0.213 176.204 176.000 -0.015 0.000 1.077 1309 Q CA 0.580 56.375 55.803 -0.013 0.000 0.843 1309 Q CB 2.599 31.328 28.738 -0.014 0.000 1.367 1309 Q HN 0.218 nan 8.270 nan 0.000 0.449 1310 G N 2.605 111.405 108.800 -0.001 0.000 2.593 1310 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.237 1310 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.237 1310 G C -0.831 174.073 174.900 0.007 0.000 1.312 1310 G CA 0.017 45.116 45.100 -0.000 0.000 0.896 1310 G HN 0.670 nan 8.290 nan 0.000 0.574 1311 D N 0.896 121.294 120.400 -0.004 0.000 2.280 1311 D HA 0.496 5.134 4.640 -0.003 0.000 0.236 1311 D C -1.062 175.183 176.300 -0.092 0.000 1.082 1311 D CA -1.721 52.274 54.000 -0.008 0.000 0.834 1311 D CB 1.598 42.404 40.800 0.010 0.000 1.100 1311 D HN -0.018 nan 8.370 nan 0.000 0.486 1312 P HA -0.101 nan 4.420 nan 0.000 0.217 1312 P C 1.177 178.347 177.300 -0.217 0.000 1.148 1312 P CA 1.053 63.951 63.100 -0.336 0.000 0.828 1312 P CB 0.324 31.539 31.700 -0.809 0.000 0.783 1313 R N -0.676 119.661 120.500 -0.271 0.000 2.115 1313 R HA -0.073 4.265 4.340 -0.003 0.000 0.226 1313 R C 2.185 178.490 176.300 0.008 0.000 1.100 1313 R CA 0.919 56.956 56.100 -0.105 0.000 0.980 1313 R CB -0.324 29.831 30.300 -0.242 0.000 0.875 1313 R HN 0.299 nan 8.270 nan 0.000 0.445 1314 E N 0.516 120.699 120.200 -0.028 0.000 2.371 1314 E HA -0.015 4.333 4.350 -0.003 0.000 0.194 1314 E C 0.068 176.665 176.600 -0.007 0.000 1.012 1314 E CA -0.082 56.313 56.400 -0.009 0.000 0.860 1314 E CB 0.295 29.987 29.700 -0.014 0.000 0.811 1314 E HN 0.024 nan 8.360 nan 0.000 0.502 1315 S N 0.712 116.401 115.700 -0.018 0.000 2.558 1315 S HA -0.078 4.390 4.470 -0.003 0.000 0.288 1315 S C -0.111 174.495 174.600 0.010 0.000 1.318 1315 S CA 0.065 58.255 58.200 -0.016 0.000 1.056 1315 S CB 0.720 63.898 63.200 -0.036 0.000 0.853 1315 S HN 0.090 nan 8.310 nan 0.000 0.505 1316 Q N 4.378 124.198 119.800 0.034 0.000 3.021 1316 Q HA 0.383 4.722 4.340 -0.003 0.000 0.234 1316 Q C -1.773 174.340 176.000 0.189 0.000 0.930 1316 Q CA -1.715 54.141 55.803 0.087 0.000 0.714 1316 Q CB 1.559 30.365 28.738 0.113 0.000 1.325 1316 Q HN 0.484 nan 8.270 nan 0.000 0.473 1317 P HA -0.071 nan 4.420 nan 0.000 0.222 1317 P C -0.395 177.085 177.300 0.301 0.000 1.147 1317 P CA 0.727 63.948 63.100 0.201 0.000 0.790 1317 P CB 0.304 32.054 31.700 0.083 0.000 0.780 1318 L N -4.889 116.411 121.223 0.129 0.000 2.731 1318 L HA 0.426 4.764 4.340 -0.003 0.000 0.256 1318 L C -1.159 175.557 176.870 -0.257 0.000 0.947 1318 L CA -1.541 53.176 54.840 -0.205 0.000 0.914 1318 L CB -0.027 41.929 42.059 -0.172 0.000 1.470 1318 L HN -0.403 nan 8.230 nan 0.000 0.421 1319 L N 1.936 122.905 121.223 -0.423 0.000 2.397 1319 L HA 0.935 5.274 4.340 -0.003 0.000 0.271 1319 L C 1.051 177.733 176.870 -0.312 0.000 1.148 1319 L CA 1.074 55.772 54.840 -0.236 0.000 0.825 1319 L CB 0.755 42.737 42.059 -0.127 0.000 1.117 1319 L HN 1.026 nan 8.230 nan 0.000 0.456 1320 G N 0.044 108.692 108.800 -0.253 0.000 2.827 1320 G HA2 0.515 4.473 3.960 -0.003 0.000 0.296 1320 G HA3 0.515 4.473 3.960 -0.003 0.000 0.296 1320 G C -0.986 173.825 174.900 -0.147 0.000 1.362 1320 G CA -0.605 44.267 45.100 -0.379 0.000 0.809 1320 G HN 0.457 nan 8.290 nan 0.000 0.522 1321 T N 0.093 114.600 114.554 -0.077 0.000 2.939 1321 T HA 0.385 4.733 4.350 -0.003 0.000 0.319 1321 T C 0.466 175.172 174.700 0.011 0.000 1.082 1321 T CA 0.827 62.999 62.100 0.121 0.000 1.133 1321 T CB 0.688 69.616 68.868 0.101 0.000 1.019 1321 T HN 1.465 nan 8.240 nan 0.000 0.548 1322 V N -0.613 119.303 119.914 0.004 0.000 3.147 1322 V HA 0.563 4.681 4.120 -0.003 0.000 0.306 1322 V C -0.857 175.195 176.094 -0.070 0.000 1.209 1322 V CA -1.440 60.825 62.300 -0.058 0.000 1.023 1322 V CB 1.924 33.695 31.823 -0.087 0.000 1.059 1322 V HN 0.608 nan 8.190 nan 0.000 0.435 1323 I N 3.662 124.186 120.570 -0.077 0.000 2.311 1323 I HA 0.282 4.450 4.170 -0.003 0.000 0.297 1323 I C 0.853 176.923 176.117 -0.078 0.000 1.131 1323 I CA 0.081 61.337 61.300 -0.072 0.000 1.289 1323 I CB -0.124 37.838 38.000 -0.063 0.000 1.446 1323 I HN 0.999 nan 8.210 nan 0.000 0.524 1324 D N 3.819 124.168 120.400 -0.085 0.000 2.301 1324 D HA 0.056 4.694 4.640 -0.003 0.000 0.206 1324 D C 1.420 177.681 176.300 -0.065 0.000 0.979 1324 D CA 1.047 54.989 54.000 -0.096 0.000 0.874 1324 D CB 0.296 41.014 40.800 -0.138 0.000 0.968 1324 D HN 0.671 nan 8.370 nan 0.000 0.510 1325 G N -0.431 108.340 108.800 -0.049 0.000 2.179 1325 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.220 1325 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.220 1325 G C 0.856 175.746 174.900 -0.016 0.000 0.990 1325 G CA 0.514 45.596 45.100 -0.029 0.000 0.646 1325 G HN 0.235 nan 8.290 nan 0.000 0.517 1326 M N -1.453 118.135 119.600 -0.021 0.000 2.817 1326 M HA 0.430 4.908 4.480 -0.003 0.000 0.228 1326 M C 2.113 178.411 176.300 -0.003 0.000 1.644 1326 M CA 0.962 56.261 55.300 -0.001 0.000 1.177 1326 M CB -0.849 31.756 32.600 0.009 0.000 1.302 1326 M HN 0.244 nan 8.290 nan 0.000 0.565 1327 L N 0.772 121.980 121.223 -0.025 0.000 2.130 1327 L HA 0.259 4.597 4.340 -0.003 0.000 0.200 1327 L C 0.264 177.103 176.870 -0.051 0.000 1.075 1327 L CA 1.408 56.226 54.840 -0.037 0.000 0.768 1327 L CB 0.186 42.213 42.059 -0.052 0.000 0.933 1327 L HN 0.105 nan 8.230 nan 0.000 0.451 1328 L N 0.704 121.892 121.223 -0.059 0.000 2.319 1328 L HA 0.272 4.611 4.340 -0.003 0.000 0.281 1328 L C 0.372 177.219 176.870 -0.039 0.000 1.005 1328 L CA -0.319 54.487 54.840 -0.057 0.000 0.828 1328 L CB 1.739 43.749 42.059 -0.081 0.000 1.227 1328 L HN 0.157 nan 8.230 nan 0.000 0.415 1329 L N 1.894 123.105 121.223 -0.020 0.000 2.446 1329 L HA 0.185 4.523 4.340 -0.003 0.000 0.219 1329 L C 0.535 177.396 176.870 -0.015 0.000 1.116 1329 L CA 0.792 55.625 54.840 -0.012 0.000 0.844 1329 L CB -0.225 41.837 42.059 0.005 0.000 0.970 1329 L HN 0.606 nan 8.230 nan 0.000 0.457 1330 K N -0.907 119.481 120.400 -0.019 0.000 2.533 1330 K HA 0.302 4.621 4.320 -0.003 0.000 0.284 1330 K C -0.440 176.139 176.600 -0.036 0.000 1.025 1330 K CA -0.692 55.583 56.287 -0.021 0.000 0.900 1330 K CB 1.533 34.030 32.500 -0.005 0.000 1.519 1330 K HN -0.151 nan 8.250 nan 0.000 0.432 1331 T N -1.165 113.365 114.554 -0.040 0.000 2.926 1331 T HA 0.107 4.455 4.350 -0.003 0.000 0.307 1331 T C -1.972 172.692 174.700 -0.061 0.000 1.059 1331 T CA -1.062 61.004 62.100 -0.056 0.000 1.122 1331 T CB 0.665 69.499 68.868 -0.057 0.000 0.972 1331 T HN 0.151 nan 8.240 nan 0.000 0.545 1332 P HA -0.167 nan 4.420 nan 0.000 0.218 1332 P C 1.272 178.517 177.300 -0.091 0.000 1.154 1332 P CA 1.355 64.397 63.100 -0.096 0.000 0.872 1332 P CB 0.044 31.677 31.700 -0.112 0.000 0.790 1333 E N -0.569 119.585 120.200 -0.077 0.000 2.085 1333 E HA -0.197 4.151 4.350 -0.003 0.000 0.194 1333 E C 1.955 178.532 176.600 -0.039 0.000 0.994 1333 E CA 1.211 57.575 56.400 -0.060 0.000 0.801 1333 E CB -0.840 28.828 29.700 -0.052 0.000 0.743 1333 E HN 0.398 nan 8.360 nan 0.000 0.453 1334 E N 0.459 120.642 120.200 -0.029 0.000 2.072 1334 E HA -0.077 4.271 4.350 -0.003 0.000 0.190 1334 E C 2.364 178.974 176.600 0.017 0.000 0.982 1334 E CA 0.603 57.000 56.400 -0.004 0.000 0.803 1334 E CB -0.364 29.334 29.700 -0.004 0.000 0.755 1334 E HN 0.304 nan 8.360 nan 0.000 0.453 1335 L N 1.376 122.603 121.223 0.006 0.000 2.012 1335 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 1335 L C 2.864 179.779 176.870 0.075 0.000 1.073 1335 L CA 1.850 56.721 54.840 0.051 0.000 0.748 1335 L CB -0.768 41.307 42.059 0.025 0.000 0.891 1335 L HN 0.200 nan 8.230 nan 0.000 0.431 1336 Q N 0.220 119.956 119.800 -0.107 0.000 2.435 1336 Q HA -0.063 4.276 4.340 -0.003 0.000 0.207 1336 Q C 2.073 178.064 176.000 -0.015 0.000 0.956 1336 Q CA 1.023 56.629 55.803 -0.327 0.000 0.917 1336 Q CB -0.088 28.372 28.738 -0.462 0.000 0.997 1336 Q HN 0.413 nan 8.270 nan 0.000 0.497 1337 A N 1.897 124.735 122.820 0.030 0.000 1.930 1337 A HA -0.144 4.175 4.320 -0.003 0.000 0.217 1337 A C 1.223 178.879 177.584 0.120 0.000 1.175 1337 A CA 1.238 53.312 52.037 0.062 0.000 0.627 1337 A CB -0.312 18.709 19.000 0.036 0.000 0.815 1337 A HN 0.728 nan 8.150 nan 0.000 0.443 1338 E N -1.557 118.734 120.200 0.152 0.000 2.700 1338 E HA 0.424 4.772 4.350 -0.003 0.000 0.253 1338 E C -0.507 176.263 176.600 0.283 0.000 1.175 1338 E CA -1.013 55.481 56.400 0.158 0.000 1.010 1338 E CB 0.357 30.122 29.700 0.110 0.000 1.284 1338 E HN -0.013 nan 8.360 nan 0.000 0.557 1339 R N 0.801 121.396 120.500 0.160 0.000 2.978 1339 R HA 0.143 4.482 4.340 -0.003 0.000 0.298 1339 R C -0.288 176.002 176.300 -0.015 0.000 1.296 1339 R CA -0.119 55.992 56.100 0.019 0.000 1.181 1339 R CB -1.450 28.782 30.300 -0.113 0.000 1.348 1339 R HN 0.471 nan 8.270 nan 0.000 0.585 1340 N N 1.354 120.218 118.700 0.274 0.000 3.052 1340 N HA 0.082 4.820 4.740 -0.003 0.000 0.302 1340 N C -1.143 174.639 175.510 0.452 0.000 1.332 1340 N CA -0.219 52.985 53.050 0.256 0.000 1.129 1340 N CB -0.124 38.476 38.487 0.189 0.000 1.436 1340 N HN 0.140 nan 8.380 nan 0.000 0.536 1341 F N -2.851 117.199 119.950 0.166 0.000 2.745 1341 F HA 0.487 5.012 4.527 -0.003 0.000 0.316 1341 F C -0.640 175.386 175.800 0.378 0.000 1.155 1341 F CA -1.442 56.696 58.000 0.230 0.000 0.937 1341 F CB 1.045 40.127 39.000 0.137 0.000 1.361 1341 F HN -0.085 nan 8.300 nan 0.000 0.472 1342 H N -0.120 119.054 119.070 0.173 0.000 2.517 1342 H HA 0.296 4.850 4.556 -0.003 0.000 0.317 1342 H C -0.133 175.215 175.328 0.034 0.000 1.080 1342 H CA -0.558 55.497 56.048 0.013 0.000 1.301 1342 H CB 1.674 31.434 29.762 -0.003 0.000 1.425 1342 H HN 0.759 nan 8.280 nan 0.000 0.471 1343 T N 1.112 115.662 114.554 -0.008 0.000 4.475 1343 T HA 0.221 4.569 4.350 -0.003 0.000 0.254 1343 T C 0.376 175.088 174.700 0.021 0.000 1.160 1343 T CA -0.761 61.288 62.100 -0.085 0.000 1.091 1343 T CB -1.627 67.139 68.868 -0.169 0.000 1.377 1343 T HN 0.354 nan 8.240 nan 0.000 1.057 1344 V N -0.785 119.232 119.914 0.171 0.000 2.769 1344 V HA 0.739 4.857 4.120 -0.003 0.000 0.312 1344 V C -2.991 173.305 176.094 0.336 0.000 1.058 1344 V CA -3.526 58.855 62.300 0.135 0.000 0.952 1344 V CB 1.535 33.336 31.823 -0.037 0.000 1.019 1344 V HN 0.163 nan 8.190 nan 0.000 0.445 1345 P HA 0.077 nan 4.420 nan 0.000 0.258 1345 P C -1.395 176.259 177.300 0.590 0.000 1.172 1345 P CA 0.843 64.158 63.100 0.359 0.000 0.762 1345 P CB -0.309 31.413 31.700 0.038 0.000 0.764 1346 Y N 4.046 124.625 120.300 0.465 0.000 2.361 1346 Y HA 0.509 5.058 4.550 -0.002 0.000 0.337 1346 Y C -0.625 175.323 175.900 0.079 0.000 0.965 1346 Y CA -1.562 56.656 58.100 0.196 0.000 1.091 1346 Y CB 1.449 39.679 38.460 -0.384 0.000 1.182 1346 Y HN 0.188 nan 8.280 nan 0.000 0.450 1347 M N 8.430 128.061 119.600 0.051 0.000 2.055 1347 M HA 0.438 4.917 4.480 -0.003 0.000 0.346 1347 M C -2.052 174.061 176.300 -0.311 0.000 1.074 1347 M CA -0.610 54.440 55.300 -0.418 0.000 1.009 1347 M CB 0.461 32.375 32.600 -1.144 0.000 1.423 1347 M HN 0.426 nan 8.290 nan 0.000 0.410 1348 V N 4.195 123.852 119.914 -0.428 0.000 2.539 1348 V HA 0.924 5.043 4.120 -0.003 0.000 0.292 1348 V C 0.504 176.423 176.094 -0.292 0.000 1.045 1348 V CA -0.428 61.632 62.300 -0.400 0.000 0.945 1348 V CB 1.543 33.008 31.823 -0.598 0.000 0.993 1348 V HN 0.972 nan 8.190 nan 0.000 0.464 1349 G N 3.597 112.168 108.800 -0.382 0.000 2.692 1349 G HA2 0.816 4.774 3.960 -0.003 0.000 0.291 1349 G HA3 0.816 4.774 3.960 -0.003 0.000 0.291 1349 G C -1.437 173.078 174.900 -0.642 0.000 1.423 1349 G CA -0.577 43.896 45.100 -1.044 0.000 0.843 1349 G HN 0.935 nan 8.290 nan 0.000 0.486 1350 I N -2.449 117.766 120.570 -0.592 0.000 3.095 1350 I HA 0.583 4.751 4.170 -0.003 0.000 0.310 1350 I C -1.074 175.040 176.117 -0.005 0.000 1.196 1350 I CA -1.337 59.856 61.300 -0.179 0.000 0.985 1350 I CB 2.425 40.367 38.000 -0.097 0.000 1.250 1350 I HN 0.433 nan 8.210 nan 0.000 0.446 1351 N N 1.626 120.372 118.700 0.077 0.000 2.466 1351 N HA 0.225 4.964 4.740 -0.003 0.000 0.294 1351 N C 0.159 175.753 175.510 0.140 0.000 1.129 1351 N CA -0.789 52.381 53.050 0.200 0.000 0.931 1351 N CB 2.000 40.620 38.487 0.222 0.000 1.193 1351 N HN 0.536 nan 8.380 nan 0.000 0.500 1352 K N 0.793 121.293 120.400 0.166 0.000 2.113 1352 K HA -0.152 4.166 4.320 -0.003 0.000 0.208 1352 K C 0.047 176.711 176.600 0.107 0.000 1.047 1352 K CA 1.828 58.186 56.287 0.118 0.000 0.928 1352 K CB 0.164 32.724 32.500 0.100 0.000 0.716 1352 K HN 0.544 nan 8.250 nan 0.000 0.446 1353 Q N 0.013 119.884 119.800 0.119 0.000 3.122 1353 Q HA 0.105 4.443 4.340 -0.003 0.000 0.282 1353 Q C -0.244 175.823 176.000 0.113 0.000 0.947 1353 Q CA -0.323 55.550 55.803 0.117 0.000 0.812 1353 Q CB 1.431 30.239 28.738 0.116 0.000 1.333 1353 Q HN 0.126 nan 8.270 nan 0.000 0.430 1354 E N 0.412 120.648 120.200 0.061 0.000 2.097 1354 E HA -0.187 4.162 4.350 -0.003 0.000 0.196 1354 E C 0.639 177.272 176.600 0.054 0.000 1.000 1354 E CA 1.340 57.709 56.400 -0.053 0.000 0.804 1354 E CB 0.088 29.530 29.700 -0.429 0.000 0.740 1354 E HN 0.486 nan 8.360 nan 0.000 0.454 1355 F N 0.933 120.845 119.950 -0.063 0.000 2.701 1355 F HA 0.168 4.693 4.527 -0.003 0.000 0.295 1355 F C 1.715 177.492 175.800 -0.038 0.000 1.165 1355 F CA -0.312 57.641 58.000 -0.080 0.000 1.399 1355 F CB 0.187 39.120 39.000 -0.113 0.000 0.996 1355 F HN -0.044 nan 8.300 nan 0.000 0.513 1356 G N 0.748 109.566 108.800 0.031 0.000 2.736 1356 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.214 1356 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.214 1356 G C 1.003 175.933 174.900 0.050 0.000 1.327 1356 G CA 1.265 46.405 45.100 0.066 0.000 0.818 1356 G HN 0.594 nan 8.290 nan 0.000 0.611 1357 W N -0.693 120.542 121.300 -0.109 0.000 3.638 1357 W HA 0.417 5.075 4.660 -0.002 0.000 0.226 1357 W C 2.049 178.484 176.519 -0.140 0.000 1.065 1357 W CA 0.067 57.341 57.345 -0.117 0.000 1.751 1357 W CB -0.446 28.985 29.460 -0.049 0.000 0.873 1357 W HN 0.160 nan 8.180 nan 0.000 0.786 1358 L N 1.668 122.819 121.223 -0.120 0.000 1.934 1358 L HA -0.232 4.106 4.340 -0.003 0.000 0.227 1358 L C 2.348 178.952 176.870 -0.444 0.000 1.084 1358 L CA 2.782 57.426 54.840 -0.327 0.000 0.790 1358 L CB -1.335 40.754 42.059 0.050 0.000 0.896 1358 L HN 0.106 nan 8.230 nan 0.000 0.437 1359 I N -0.601 119.778 120.570 -0.318 0.000 2.087 1359 I HA -0.321 3.847 4.170 -0.003 0.000 0.240 1359 I C -0.310 175.531 176.117 -0.460 0.000 1.054 1359 I CA 2.018 63.127 61.300 -0.319 0.000 1.311 1359 I CB -1.695 36.173 38.000 -0.219 0.000 1.024 1359 I HN 0.334 nan 8.210 nan 0.000 0.402 1360 P HA -0.177 nan 4.420 nan 0.000 0.215 1360 P C 1.130 178.199 177.300 -0.386 0.000 1.157 1360 P CA 1.158 63.795 63.100 -0.771 0.000 0.868 1360 P CB -0.080 31.017 31.700 -1.005 0.000 0.788 1364 M N -0.834 118.747 119.600 -0.032 0.000 2.347 1364 M HA 0.272 4.750 4.480 -0.003 0.000 0.324 1364 M C 0.602 176.969 176.300 0.112 0.000 1.028 1364 M CA 0.129 55.478 55.300 0.082 0.000 0.988 1364 M CB 1.067 33.782 32.600 0.192 0.000 1.528 1364 M HN 0.164 nan 8.290 nan 0.000 0.550 1365 S N 0.057 115.793 115.700 0.060 0.000 3.672 1365 S HA -0.175 4.293 4.470 -0.003 0.000 0.319 1365 S C -0.237 174.421 174.600 0.098 0.000 1.151 1365 S CA 0.354 58.585 58.200 0.051 0.000 0.911 1365 S CB -2.015 61.198 63.200 0.022 0.000 0.939 1365 S HN 0.522 nan 8.310 nan 0.000 0.524 1366 Y N 2.006 122.293 120.300 -0.023 0.000 2.712 1366 Y HA 0.257 4.805 4.550 -0.003 0.000 0.333 1366 Y C -1.750 174.172 175.900 0.038 0.000 1.225 1366 Y CA -0.686 57.431 58.100 0.028 0.000 1.499 1366 Y CB 0.274 38.748 38.460 0.024 0.000 1.288 1366 Y HN 0.089 nan 8.280 nan 0.000 0.575 1367 P HA 0.306 nan 4.420 nan 0.000 0.288 1367 P C -0.571 176.811 177.300 0.137 0.000 1.363 1367 P CA 0.061 63.205 63.100 0.073 0.000 0.837 1367 P CB 0.443 32.148 31.700 0.009 0.000 0.981 1368 L N 1.479 122.785 121.223 0.138 0.000 3.631 1368 L HA 0.110 4.449 4.340 -0.003 0.000 0.346 1368 L C 1.805 178.740 176.870 0.108 0.000 1.329 1368 L CA 0.049 54.977 54.840 0.147 0.000 1.018 1368 L CB 0.146 42.325 42.059 0.200 0.000 1.412 1368 L HN 0.234 nan 8.230 nan 0.000 0.618 1369 S N 1.086 116.837 115.700 0.084 0.000 2.390 1369 S HA -0.290 4.179 4.470 -0.003 0.000 0.234 1369 S C 1.748 176.386 174.600 0.064 0.000 1.063 1369 S CA 2.559 60.800 58.200 0.068 0.000 1.108 1369 S CB 0.148 63.379 63.200 0.052 0.000 0.975 1369 S HN 0.536 nan 8.310 nan 0.000 0.442 1370 E N 0.327 120.563 120.200 0.059 0.000 2.268 1370 E HA 0.085 4.433 4.350 -0.003 0.000 0.195 1370 E C 1.502 178.139 176.600 0.061 0.000 0.995 1370 E CA 0.897 57.328 56.400 0.052 0.000 0.836 1370 E CB -0.825 28.900 29.700 0.042 0.000 0.763 1370 E HN 0.729 nan 8.360 nan 0.000 0.491 1371 G N 0.356 109.204 108.800 0.080 0.000 2.175 1371 G HA2 -0.363 3.596 3.960 -0.003 0.000 0.265 1371 G HA3 -0.363 3.596 3.960 -0.003 0.000 0.265 1371 G C -0.036 174.917 174.900 0.088 0.000 0.979 1371 G CA 0.905 46.060 45.100 0.092 0.000 0.663 1371 G HN 0.472 nan 8.290 nan 0.000 0.533 1372 Q N -1.249 118.595 119.800 0.074 0.000 2.315 1372 Q HA 0.795 5.133 4.340 -0.003 0.000 0.273 1372 Q C -1.482 174.545 176.000 0.045 0.000 1.053 1372 Q CA -1.266 54.575 55.803 0.063 0.000 0.817 1372 Q CB 2.033 30.799 28.738 0.048 0.000 1.326 1372 Q HN 0.211 nan 8.270 nan 0.000 0.423 1373 L N 2.218 123.461 121.223 0.033 0.000 2.381 1373 L HA 0.480 4.818 4.340 -0.003 0.000 0.268 1373 L C -0.861 175.998 176.870 -0.018 0.000 0.997 1373 L CA -0.389 54.443 54.840 -0.014 0.000 0.818 1373 L CB 2.106 44.114 42.059 -0.085 0.000 1.310 1373 L HN 0.744 nan 8.230 nan 0.000 0.416 1374 D N 1.942 122.326 120.400 -0.027 0.000 2.192 1374 D HA 0.163 4.801 4.640 -0.003 0.000 0.246 1374 D C 0.255 176.536 176.300 -0.033 0.000 1.042 1374 D CA -0.591 53.399 54.000 -0.017 0.000 0.847 1374 D CB 1.797 42.593 40.800 -0.008 0.000 1.186 1374 D HN 0.379 nan 8.370 nan 0.000 0.461 1375 Q N 1.569 121.359 119.800 -0.017 0.000 2.160 1375 Q HA -0.343 3.995 4.340 -0.003 0.000 0.219 1375 Q C 1.756 177.741 176.000 -0.026 0.000 1.051 1375 Q CA 2.336 58.131 55.803 -0.013 0.000 0.929 1375 Q CB -0.542 28.199 28.738 0.005 0.000 1.059 1375 Q HN 0.745 nan 8.270 nan 0.000 0.428 1376 K N -0.354 120.034 120.400 -0.020 0.000 1.971 1376 K HA -0.160 4.159 4.320 -0.003 0.000 0.221 1376 K C 2.086 178.667 176.600 -0.031 0.000 1.050 1376 K CA 2.202 58.477 56.287 -0.019 0.000 0.967 1376 K CB -0.322 32.170 32.500 -0.013 0.000 0.733 1376 K HN 0.204 nan 8.250 nan 0.000 0.445 1377 T N 0.856 115.386 114.554 -0.040 0.000 2.822 1377 T HA -0.192 4.157 4.350 -0.003 0.000 0.270 1377 T C 1.726 176.356 174.700 -0.117 0.000 1.064 1377 T CA 1.240 63.309 62.100 -0.052 0.000 1.131 1377 T CB -0.368 68.473 68.868 -0.045 0.000 0.858 1377 T HN 0.497 nan 8.240 nan 0.000 0.483 1378 A N 1.497 124.213 122.820 -0.175 0.000 1.855 1378 A HA 0.003 4.321 4.320 -0.003 0.000 0.215 1378 A C 2.313 179.790 177.584 -0.179 0.000 1.191 1378 A CA 1.393 53.212 52.037 -0.364 0.000 0.613 1378 A CB -0.599 18.228 19.000 -0.289 0.000 0.829 1378 A HN 0.472 nan 8.150 nan 0.000 0.442 1379 M N -0.382 119.204 119.600 -0.024 0.000 2.229 1379 M HA -0.106 4.372 4.480 -0.003 0.000 0.264 1379 M C 2.460 178.836 176.300 0.128 0.000 1.063 1379 M CA 1.457 56.807 55.300 0.083 0.000 1.114 1379 M CB -0.359 32.276 32.600 0.058 0.000 1.387 1379 M HN 0.569 nan 8.290 nan 0.000 0.420 1380 S N 1.430 117.174 115.700 0.074 0.000 2.354 1380 S HA -0.131 4.337 4.470 -0.003 0.000 0.219 1380 S C 1.845 176.558 174.600 0.189 0.000 1.035 1380 S CA 1.295 59.566 58.200 0.118 0.000 1.037 1380 S CB -0.380 62.853 63.200 0.056 0.000 0.956 1380 S HN 0.465 nan 8.310 nan 0.000 0.428 1381 L N 0.842 122.135 121.223 0.117 0.000 2.079 1381 L HA -0.075 4.263 4.340 -0.003 0.000 0.210 1381 L C 2.606 179.661 176.870 0.309 0.000 1.081 1381 L CA 0.935 55.874 54.840 0.165 0.000 0.752 1381 L CB -0.701 41.444 42.059 0.143 0.000 0.896 1381 L HN 0.370 nan 8.230 nan 0.000 0.433 1382 L N -0.514 120.946 121.223 0.396 0.000 2.261 1382 L HA -0.236 4.102 4.340 -0.003 0.000 0.216 1382 L C 2.113 179.221 176.870 0.396 0.000 1.114 1382 L CA 1.641 56.762 54.840 0.470 0.000 0.777 1382 L CB -0.637 41.718 42.059 0.493 0.000 0.910 1382 L HN 0.361 nan 8.230 nan 0.000 0.440 1383 W N 0.015 121.413 121.300 0.163 0.000 2.444 1383 W HA -0.157 4.502 4.660 -0.002 0.000 0.308 1383 W C 1.932 178.526 176.519 0.125 0.000 1.183 1383 W CA 0.443 57.866 57.345 0.130 0.000 1.340 1383 W CB 0.082 29.584 29.460 0.070 0.000 1.138 1383 W HN -0.022 nan 8.180 nan 0.000 0.510 1384 K N 0.900 121.301 120.400 0.002 0.000 2.360 1384 K HA -0.093 4.225 4.320 -0.003 0.000 0.201 1384 K C 1.459 177.986 176.600 -0.121 0.000 1.046 1384 K CA 1.135 57.336 56.287 -0.144 0.000 0.940 1384 K CB -0.664 31.806 32.500 -0.051 0.000 0.748 1384 K HN 0.040 nan 8.250 nan 0.000 0.465 1385 S N 0.778 116.474 115.700 -0.007 0.000 2.685 1385 S HA 0.022 4.491 4.470 -0.003 0.000 0.240 1385 S C 1.012 175.604 174.600 -0.013 0.000 0.967 1385 S CA -0.464 57.758 58.200 0.036 0.000 1.009 1385 S CB -0.299 62.992 63.200 0.153 0.000 0.776 1385 S HN 0.260 nan 8.310 nan 0.000 0.467 1386 Y N 4.066 124.212 120.300 -0.258 0.000 2.165 1386 Y HA -0.088 4.460 4.550 -0.003 0.000 0.286 1386 Y C -0.760 175.024 175.900 -0.192 0.000 1.155 1386 Y CA 1.274 59.205 58.100 -0.282 0.000 1.164 1386 Y CB -1.123 37.008 38.460 -0.548 0.000 0.978 1386 Y HN 0.256 nan 8.280 nan 0.000 0.513 1387 P HA -0.152 nan 4.420 nan 0.000 0.222 1387 P C 1.232 178.394 177.300 -0.231 0.000 1.147 1387 P CA 1.648 64.614 63.100 -0.223 0.000 0.790 1387 P CB -0.061 31.584 31.700 -0.091 0.000 0.780 1388 L N -0.991 120.120 121.223 -0.187 0.000 2.463 1388 L HA 0.063 4.401 4.340 -0.003 0.000 0.219 1388 L C 2.195 178.898 176.870 -0.279 0.000 1.088 1388 L CA 0.550 55.270 54.840 -0.200 0.000 0.849 1388 L CB -0.064 41.924 42.059 -0.118 0.000 1.012 1388 L HN -0.108 nan 8.230 nan 0.000 0.468 1389 V N -6.933 112.820 119.914 -0.267 0.000 3.497 1389 V HA 0.188 4.307 4.120 -0.003 0.000 0.272 1389 V C 1.006 176.964 176.094 -0.226 0.000 1.474 1389 V CA -0.610 61.542 62.300 -0.246 0.000 1.025 1389 V CB 0.065 31.781 31.823 -0.178 0.000 0.820 1389 V HN 0.295 nan 8.190 nan 0.000 0.437 1390 C N 1.906 120.948 119.300 -0.431 0.000 3.690 1390 C HA -0.150 4.308 4.460 -0.003 0.000 0.295 1390 C C 0.290 175.219 174.990 -0.103 0.000 1.283 1390 C CA 0.455 59.085 59.018 -0.645 0.000 2.212 1390 C CB -2.656 24.704 27.740 -0.633 0.000 1.407 1390 C HN 0.650 nan 8.230 nan 0.000 0.595 1391 I N 1.313 122.067 120.570 0.306 0.000 2.418 1391 I HA 0.527 4.695 4.170 -0.003 0.000 0.287 1391 I C 0.826 177.340 176.117 0.663 0.000 1.008 1391 I CA -0.216 61.420 61.300 0.560 0.000 1.104 1391 I CB 1.373 39.701 38.000 0.546 0.000 1.264 1391 I HN 0.521 nan 8.210 nan 0.000 0.438 1392 A N 5.799 128.940 122.820 0.535 0.000 2.536 1392 A HA 0.026 4.345 4.320 -0.003 0.000 0.234 1392 A C 1.418 179.207 177.584 0.341 0.000 1.076 1392 A CA 0.188 52.481 52.037 0.425 0.000 0.769 1392 A CB 0.245 19.394 19.000 0.249 0.000 1.020 1392 A HN 0.917 nan 8.150 nan 0.000 0.508 1393 K N -0.158 120.272 120.400 0.049 0.000 2.147 1393 K HA -0.177 4.142 4.320 -0.003 0.000 0.205 1393 K C 1.473 177.984 176.600 -0.148 0.000 1.049 1393 K CA 2.012 58.066 56.287 -0.388 0.000 0.936 1393 K CB -0.085 31.828 32.500 -0.978 0.000 0.722 1393 K HN 0.807 nan 8.250 nan 0.000 0.446 1394 E N 0.537 120.703 120.200 -0.057 0.000 2.152 1394 E HA -0.127 4.221 4.350 -0.003 0.000 0.192 1394 E C 1.752 178.376 176.600 0.040 0.000 0.983 1394 E CA 0.797 57.185 56.400 -0.020 0.000 0.818 1394 E CB -0.166 29.530 29.700 -0.007 0.000 0.758 1394 E HN 0.285 nan 8.360 nan 0.000 0.467 1395 L N 0.467 121.752 121.223 0.104 0.000 2.240 1395 L HA -0.045 4.293 4.340 -0.003 0.000 0.211 1395 L C 1.945 178.911 176.870 0.159 0.000 1.106 1395 L CA 0.207 55.127 54.840 0.133 0.000 0.793 1395 L CB -0.381 41.801 42.059 0.205 0.000 0.927 1395 L HN 0.144 nan 8.230 nan 0.000 0.446 1396 I N 0.630 121.311 120.570 0.184 0.000 2.145 1396 I HA -0.229 3.939 4.170 -0.003 0.000 0.244 1396 I C 0.049 176.258 176.117 0.153 0.000 1.075 1396 I CA 2.145 63.570 61.300 0.208 0.000 1.332 1396 I CB -2.397 35.723 38.000 0.199 0.000 1.033 1396 I HN 0.186 nan 8.210 nan 0.000 0.410 1397 P HA -0.180 nan 4.420 nan 0.000 0.214 1397 P C 1.739 179.092 177.300 0.089 0.000 1.162 1397 P CA 1.448 64.591 63.100 0.071 0.000 0.879 1397 P CB -0.084 31.636 31.700 0.033 0.000 0.786 1398 E N -0.322 119.934 120.200 0.092 0.000 2.118 1398 E HA -0.223 4.125 4.350 -0.003 0.000 0.195 1398 E C 1.825 178.530 176.600 0.174 0.000 0.992 1398 E CA 1.373 57.840 56.400 0.111 0.000 0.804 1398 E CB -0.461 29.297 29.700 0.098 0.000 0.741 1398 E HN 0.068 nan 8.360 nan 0.000 0.458 1399 A N 0.196 123.140 122.820 0.207 0.000 1.897 1399 A HA -0.103 4.215 4.320 -0.003 0.000 0.215 1399 A C 2.366 180.049 177.584 0.165 0.000 1.181 1399 A CA 1.713 53.897 52.037 0.245 0.000 0.620 1399 A CB -0.802 18.345 19.000 0.246 0.000 0.821 1399 A HN 0.314 nan 8.150 nan 0.000 0.443 1400 T N -0.344 114.319 114.554 0.182 0.000 2.803 1400 T HA -0.132 4.216 4.350 -0.003 0.000 0.269 1400 T C 1.835 176.630 174.700 0.158 0.000 1.052 1400 T CA 1.826 64.040 62.100 0.190 0.000 1.136 1400 T CB -0.142 68.819 68.868 0.155 0.000 0.864 1400 T HN 0.541 nan 8.240 nan 0.000 0.467 1401 E N 0.912 121.174 120.200 0.104 0.000 2.122 1401 E HA 0.034 4.382 4.350 -0.003 0.000 0.190 1401 E C 1.913 178.525 176.600 0.020 0.000 0.977 1401 E CA 0.672 57.107 56.400 0.060 0.000 0.820 1401 E CB -0.086 29.637 29.700 0.038 0.000 0.770 1401 E HN 0.174 nan 8.360 nan 0.000 0.462 1402 K N -1.124 119.260 120.400 -0.026 0.000 2.574 1402 K HA -0.075 4.243 4.320 -0.003 0.000 0.193 1402 K C 0.368 176.906 176.600 -0.103 0.000 1.035 1402 K CA 0.907 57.062 56.287 -0.219 0.000 0.982 1402 K CB -0.093 31.953 32.500 -0.757 0.000 0.795 1402 K HN 0.190 nan 8.250 nan 0.000 0.491 1403 Y N -1.752 118.470 120.300 -0.131 0.000 2.723 1403 Y HA 0.264 4.812 4.550 -0.003 0.000 0.272 1403 Y C 0.928 176.846 175.900 0.029 0.000 1.142 1403 Y CA -0.027 58.054 58.100 -0.031 0.000 1.217 1403 Y CB 0.686 39.188 38.460 0.071 0.000 1.391 1403 Y HN -0.145 nan 8.280 nan 0.000 0.479 1404 L N -0.650 120.694 121.223 0.203 0.000 2.667 1404 L HA 0.326 4.664 4.340 -0.003 0.000 0.232 1404 L C 1.832 178.742 176.870 0.068 0.000 1.138 1404 L CA 0.596 55.518 54.840 0.137 0.000 0.921 1404 L CB -0.217 41.929 42.059 0.146 0.000 1.180 1404 L HN 0.253 nan 8.230 nan 0.000 0.487 1405 G N 0.438 109.261 108.800 0.039 0.000 2.439 1405 G HA2 -0.054 3.905 3.960 -0.003 0.000 0.212 1405 G HA3 -0.054 3.905 3.960 -0.003 0.000 0.212 1405 G C 1.558 176.458 174.900 0.001 0.000 1.199 1405 G CA 0.695 45.803 45.100 0.014 0.000 0.807 1405 G HN 0.349 nan 8.290 nan 0.000 0.537 1406 G N 0.290 109.080 108.800 -0.018 0.000 2.805 1406 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.227 1406 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.227 1406 G C 1.175 176.071 174.900 -0.007 0.000 1.143 1406 G CA 2.167 47.254 45.100 -0.022 0.000 0.759 1406 G HN 1.080 nan 8.290 nan 0.000 0.634 1407 T N -3.870 110.687 114.554 0.004 0.000 2.940 1407 T HA 0.567 4.915 4.350 -0.003 0.000 0.288 1407 T C -0.336 174.374 174.700 0.017 0.000 1.033 1407 T CA -0.464 61.642 62.100 0.011 0.000 1.033 1407 T CB 2.434 71.312 68.868 0.016 0.000 1.079 1407 T HN -0.081 nan 8.240 nan 0.000 0.496 1408 D N 0.770 121.179 120.400 0.015 0.000 2.643 1408 D HA 0.172 4.810 4.640 -0.003 0.000 0.244 1408 D C -0.709 175.603 176.300 0.019 0.000 1.257 1408 D CA -0.190 53.819 54.000 0.016 0.000 0.831 1408 D CB 0.324 41.131 40.800 0.011 0.000 1.043 1408 D HN 0.562 nan 8.370 nan 0.000 0.488 1409 D N 0.103 120.518 120.400 0.025 0.000 2.249 1409 D HA 0.066 4.704 4.640 -0.003 0.000 0.246 1409 D C 1.252 177.573 176.300 0.035 0.000 1.114 1409 D CA -0.115 53.902 54.000 0.028 0.000 0.854 1409 D CB 1.685 42.503 40.800 0.029 0.000 1.132 1409 D HN -0.032 nan 8.370 nan 0.000 0.461 1410 T N 2.368 116.941 114.554 0.031 0.000 2.665 1410 T HA -0.129 4.219 4.350 -0.003 0.000 0.268 1410 T C 1.896 176.625 174.700 0.049 0.000 1.035 1410 T CA 0.946 63.067 62.100 0.034 0.000 1.151 1410 T CB 0.038 68.923 68.868 0.028 0.000 0.862 1410 T HN 0.324 nan 8.240 nan 0.000 0.438 1411 V N 1.036 120.981 119.914 0.052 0.000 2.788 1411 V HA 0.011 4.130 4.120 -0.003 0.000 0.251 1411 V C 2.360 178.503 176.094 0.082 0.000 1.068 1411 V CA 1.037 63.377 62.300 0.066 0.000 1.090 1411 V CB -0.400 31.456 31.823 0.056 0.000 0.710 1411 V HN 0.435 nan 8.190 nan 0.000 0.467 1412 K N 0.182 120.625 120.400 0.070 0.000 2.211 1412 K HA -0.119 4.200 4.320 -0.003 0.000 0.203 1412 K C 2.122 178.786 176.600 0.108 0.000 1.050 1412 K CA 0.975 57.309 56.287 0.078 0.000 0.945 1412 K CB -0.075 32.458 32.500 0.056 0.000 0.732 1412 K HN 0.426 nan 8.250 nan 0.000 0.451 1413 K N 0.894 121.358 120.400 0.107 0.000 2.062 1413 K HA -0.093 4.225 4.320 -0.003 0.000 0.205 1413 K C 2.123 178.850 176.600 0.212 0.000 1.051 1413 K CA 0.791 57.161 56.287 0.138 0.000 0.941 1413 K CB 0.039 32.591 32.500 0.087 0.000 0.719 1413 K HN 0.003 nan 8.250 nan 0.000 0.440 1414 K N 1.401 121.911 120.400 0.184 0.000 2.032 1414 K HA -0.207 4.111 4.320 -0.003 0.000 0.209 1414 K C 1.295 178.076 176.600 0.302 0.000 1.048 1414 K CA 1.915 58.356 56.287 0.257 0.000 0.927 1414 K CB -0.052 32.559 32.500 0.185 0.000 0.712 1414 K HN 0.107 nan 8.250 nan 0.000 0.441 1415 D N 1.056 121.582 120.400 0.210 0.000 2.078 1415 D HA -0.190 4.448 4.640 -0.003 0.000 0.193 1415 D C 2.098 178.527 176.300 0.215 0.000 0.990 1415 D CA 1.005 55.115 54.000 0.184 0.000 0.827 1415 D CB -0.407 40.470 40.800 0.129 0.000 0.975 1415 D HN 0.213 nan 8.370 nan 0.000 0.451 1416 L N 0.061 121.415 121.223 0.218 0.000 2.353 1416 L HA -0.151 4.187 4.340 -0.003 0.000 0.220 1416 L C 2.136 179.232 176.870 0.377 0.000 1.133 1416 L CA 0.341 55.330 54.840 0.249 0.000 0.798 1416 L CB -0.136 42.041 42.059 0.197 0.000 0.922 1416 L HN -0.047 nan 8.230 nan 0.000 0.445 1417 F N -0.280 119.796 119.950 0.211 0.000 2.293 1417 F HA -0.073 4.452 4.527 -0.003 0.000 0.297 1417 F C 1.880 177.804 175.800 0.207 0.000 1.089 1417 F CA 1.116 59.241 58.000 0.208 0.000 1.377 1417 F CB -0.021 39.091 39.000 0.187 0.000 1.051 1417 F HN -0.099 nan 8.300 nan 0.000 0.511 1418 L N -0.325 120.948 121.223 0.083 0.000 2.109 1418 L HA -0.131 4.207 4.340 -0.003 0.000 0.207 1418 L C 1.971 178.872 176.870 0.051 0.000 1.086 1418 L CA 1.156 56.035 54.840 0.064 0.000 0.760 1418 L CB -0.877 41.309 42.059 0.213 0.000 0.910 1418 L HN -0.030 nan 8.230 nan 0.000 0.437 1419 D N 0.494 120.979 120.400 0.143 0.000 2.116 1419 D HA -0.229 4.409 4.640 -0.003 0.000 0.193 1419 D C 1.955 178.360 176.300 0.175 0.000 0.998 1419 D CA 1.175 55.293 54.000 0.196 0.000 0.836 1419 D CB -0.308 40.655 40.800 0.273 0.000 0.951 1419 D HN 0.070 nan 8.370 nan 0.000 0.449 1420 L N 0.660 121.964 121.223 0.135 0.000 1.965 1420 L HA -0.242 4.096 4.340 -0.003 0.000 0.226 1420 L C 1.999 178.681 176.870 -0.314 0.000 1.083 1420 L CA 1.729 56.436 54.840 -0.222 0.000 0.790 1420 L CB -0.963 40.902 42.059 -0.323 0.000 0.898 1420 L HN 0.016 nan 8.230 nan 0.000 0.439 1421 I N 0.192 120.485 120.570 -0.462 0.000 2.151 1421 I HA -0.323 3.845 4.170 -0.003 0.000 0.243 1421 I C 2.662 178.527 176.117 -0.420 0.000 1.080 1421 I CA 1.854 62.778 61.300 -0.626 0.000 1.339 1421 I CB -1.129 36.141 38.000 -1.218 0.000 1.039 1421 I HN 0.433 nan 8.210 nan 0.000 0.409 1422 A N 0.097 122.804 122.820 -0.188 0.000 1.883 1422 A HA -0.246 4.073 4.320 -0.003 0.000 0.217 1422 A C 2.053 179.675 177.584 0.064 0.000 1.186 1422 A CA 2.185 54.266 52.037 0.074 0.000 0.624 1422 A CB -0.817 18.263 19.000 0.134 0.000 0.822 1422 A HN 0.430 nan 8.150 nan 0.000 0.444 1423 D N -0.244 120.154 120.400 -0.003 0.000 2.117 1423 D HA -0.108 4.530 4.640 -0.003 0.000 0.197 1423 D C 2.110 178.255 176.300 -0.258 0.000 0.987 1423 D CA 1.553 55.542 54.000 -0.018 0.000 0.829 1423 D CB -0.482 40.415 40.800 0.162 0.000 0.961 1423 D HN 0.249 nan 8.370 nan 0.000 0.460 1424 V N 1.156 120.758 119.914 -0.520 0.000 2.307 1424 V HA -0.220 3.898 4.120 -0.003 0.000 0.245 1424 V C 2.583 178.421 176.094 -0.427 0.000 1.045 1424 V CA 1.289 63.162 62.300 -0.712 0.000 1.024 1424 V CB -0.348 30.945 31.823 -0.884 0.000 0.651 1424 V HN 0.184 nan 8.190 nan 0.000 0.449 1425 M N -1.206 118.165 119.600 -0.383 0.000 2.064 1425 M HA -0.082 4.396 4.480 -0.003 0.000 0.260 1425 M C 2.092 178.050 176.300 -0.570 0.000 1.073 1425 M CA 2.276 57.253 55.300 -0.538 0.000 1.124 1425 M CB -0.312 31.871 32.600 -0.695 0.000 1.326 1425 M HN 0.384 nan 8.290 nan 0.000 0.410 1426 F N -1.697 118.177 119.950 -0.127 0.000 2.537 1426 F HA 0.331 4.856 4.527 -0.003 0.000 0.277 1426 F C 2.437 178.186 175.800 -0.085 0.000 1.013 1426 F CA 0.292 58.247 58.000 -0.074 0.000 1.332 1426 F CB -1.640 37.358 39.000 -0.003 0.000 1.108 1426 F HN 0.091 nan 8.300 nan 0.000 0.679 1427 G N 1.429 110.319 108.800 0.149 0.000 2.672 1427 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.218 1427 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.218 1427 G C 1.729 176.630 174.900 0.001 0.000 1.238 1427 G CA 2.238 47.369 45.100 0.051 0.000 0.791 1427 G HN 0.194 nan 8.290 nan 0.000 0.606 1428 V N 2.287 122.190 119.914 -0.017 0.000 2.237 1428 V HA -0.126 3.992 4.120 -0.003 0.000 0.245 1428 V C 0.531 176.608 176.094 -0.029 0.000 1.046 1428 V CA 2.388 64.685 62.300 -0.005 0.000 1.007 1428 V CB -1.497 30.309 31.823 -0.028 0.000 0.638 1428 V HN 0.291 nan 8.190 nan 0.000 0.445 1429 P HA -0.179 nan 4.420 nan 0.000 0.217 1429 P C 2.056 179.311 177.300 -0.075 0.000 1.162 1429 P CA 2.343 65.398 63.100 -0.074 0.000 0.901 1429 P CB -0.175 31.457 31.700 -0.114 0.000 0.793 1430 S N -0.756 114.900 115.700 -0.075 0.000 2.359 1430 S HA -0.152 4.317 4.470 -0.003 0.000 0.223 1430 S C 2.053 176.546 174.600 -0.178 0.000 1.039 1430 S CA 1.549 59.674 58.200 -0.125 0.000 1.042 1430 S CB -1.459 61.669 63.200 -0.121 0.000 0.915 1430 S HN -0.047 nan 8.310 nan 0.000 0.439 1431 V N 2.235 122.065 119.914 -0.140 0.000 2.287 1431 V HA -0.193 3.926 4.120 -0.003 0.000 0.248 1431 V C 2.119 178.166 176.094 -0.078 0.000 1.053 1431 V CA 1.675 63.892 62.300 -0.138 0.000 1.027 1431 V CB -0.695 31.106 31.823 -0.037 0.000 0.646 1431 V HN 0.455 nan 8.190 nan 0.000 0.447 1432 I N -0.485 120.064 120.570 -0.035 0.000 2.179 1432 I HA -0.223 3.945 4.170 -0.003 0.000 0.242 1432 I C 2.395 178.491 176.117 -0.034 0.000 1.088 1432 I CA 1.340 62.635 61.300 -0.007 0.000 1.357 1432 I CB -0.511 37.488 38.000 -0.002 0.000 1.051 1432 I HN 0.157 nan 8.210 nan 0.000 0.409 1433 V N 1.130 120.997 119.914 -0.078 0.000 2.392 1433 V HA -0.305 3.813 4.120 -0.003 0.000 0.249 1433 V C 2.691 178.731 176.094 -0.090 0.000 1.059 1433 V CA 2.065 64.313 62.300 -0.088 0.000 1.051 1433 V CB -0.971 30.794 31.823 -0.095 0.000 0.658 1433 V HN 0.504 nan 8.190 nan 0.000 0.455 1434 A N -0.199 122.511 122.820 -0.183 0.000 1.872 1434 A HA -0.171 4.147 4.320 -0.003 0.000 0.214 1434 A C 2.373 179.962 177.584 0.009 0.000 1.187 1434 A CA 1.539 53.427 52.037 -0.249 0.000 0.614 1434 A CB -0.453 18.189 19.000 -0.596 0.000 0.826 1434 A HN 0.481 nan 8.150 nan 0.000 0.442 1435 R N -0.260 120.298 120.500 0.096 0.000 2.083 1435 R HA -0.166 4.172 4.340 -0.003 0.000 0.237 1435 R C 2.065 178.488 176.300 0.205 0.000 1.137 1435 R CA 1.794 58.056 56.100 0.270 0.000 0.951 1435 R CB -0.507 29.918 30.300 0.209 0.000 0.851 1435 R HN 0.581 nan 8.270 nan 0.000 0.434 1436 N N -0.200 118.586 118.700 0.143 0.000 2.025 1436 N HA -0.207 4.531 4.740 -0.003 0.000 0.194 1436 N C 1.675 177.364 175.510 0.299 0.000 1.044 1436 N CA 1.610 54.757 53.050 0.161 0.000 0.851 1436 N CB -0.472 38.038 38.487 0.038 0.000 1.036 1436 N HN 0.271 nan 8.380 nan 0.000 0.422 1437 H N 0.816 120.012 119.070 0.210 0.000 2.321 1437 H HA -0.100 4.454 4.556 -0.003 0.000 0.295 1437 H C 2.216 177.717 175.328 0.289 0.000 1.102 1437 H CA 2.026 58.306 56.048 0.387 0.000 1.266 1437 H CB -0.025 29.935 29.762 0.329 0.000 1.363 1437 H HN 0.108 nan 8.280 nan 0.000 0.492 1438 R N 0.299 120.986 120.500 0.310 0.000 2.094 1438 R HA -0.142 4.197 4.340 -0.003 0.000 0.239 1438 R C 1.148 177.523 176.300 0.125 0.000 1.137 1438 R CA 2.062 58.285 56.100 0.205 0.000 0.943 1438 R CB -0.248 30.212 30.300 0.268 0.000 0.850 1438 R HN 0.449 nan 8.270 nan 0.000 0.433 1439 D N -0.153 120.337 120.400 0.150 0.000 2.392 1439 D HA -0.068 4.570 4.640 -0.003 0.000 0.228 1439 D C 0.984 177.344 176.300 0.099 0.000 1.003 1439 D CA 0.906 54.972 54.000 0.111 0.000 0.917 1439 D CB 0.345 41.218 40.800 0.122 0.000 0.890 1439 D HN 0.427 nan 8.370 nan 0.000 0.532 1440 A N -0.362 122.519 122.820 0.101 0.000 2.267 1440 A HA 0.454 4.773 4.320 -0.003 0.000 0.213 1440 A C 1.849 179.373 177.584 -0.099 0.000 1.192 1440 A CA 0.842 52.877 52.037 -0.002 0.000 0.851 1440 A CB 0.317 19.306 19.000 -0.019 0.000 0.881 1440 A HN 0.220 nan 8.150 nan 0.000 0.494 1441 G N -1.691 107.073 108.800 -0.059 0.000 2.194 1441 G HA2 0.083 4.041 3.960 -0.003 0.000 0.236 1441 G HA3 0.083 4.041 3.960 -0.003 0.000 0.236 1441 G C 0.491 175.339 174.900 -0.087 0.000 0.987 1441 G CA 0.219 45.279 45.100 -0.066 0.000 0.635 1441 G HN 1.565 nan 8.290 nan 0.000 0.520 1442 A N 0.762 123.481 122.820 -0.168 0.000 2.340 1442 A HA 0.725 5.043 4.320 -0.003 0.000 0.268 1442 A C -2.039 175.544 177.584 -0.001 0.000 1.100 1442 A CA -1.069 50.867 52.037 -0.169 0.000 0.803 1442 A CB 0.461 19.152 19.000 -0.514 0.000 1.043 1442 A HN 0.124 nan 8.150 nan 0.000 0.488 1443 P HA 0.251 nan 4.420 nan 0.000 0.271 1443 P C -0.523 176.927 177.300 0.249 0.000 1.226 1443 P CA 0.571 63.749 63.100 0.131 0.000 0.765 1443 P CB 0.841 32.651 31.700 0.183 0.000 0.835 1444 T N 2.975 117.565 114.554 0.060 0.000 2.907 1444 T HA 0.585 4.934 4.350 -0.003 0.000 0.292 1444 T C -1.068 173.476 174.700 -0.260 0.000 1.043 1444 T CA -0.328 61.831 62.100 0.098 0.000 1.003 1444 T CB 0.937 69.929 68.868 0.205 0.000 1.084 1444 T HN 0.123 nan 8.240 nan 0.000 0.483 1445 Y N 0.679 120.949 120.300 -0.050 0.000 2.433 1445 Y HA 0.589 5.137 4.550 -0.003 0.000 0.337 1445 Y C -0.133 175.762 175.900 -0.008 0.000 1.026 1445 Y CA -0.947 57.078 58.100 -0.124 0.000 1.037 1445 Y CB 1.899 39.970 38.460 -0.648 0.000 1.245 1445 Y HN 0.392 nan 8.280 nan 0.000 0.443 1446 M N 3.476 123.353 119.600 0.463 0.000 2.724 1446 M HA 0.595 5.074 4.480 -0.003 0.000 0.310 1446 M C -1.462 175.237 176.300 0.665 0.000 1.217 1446 M CA -1.043 54.455 55.300 0.329 0.000 0.894 1446 M CB 2.907 35.503 32.600 -0.007 0.000 1.719 1446 M HN 0.756 nan 8.290 nan 0.000 0.479 1447 Y N -1.361 119.116 120.300 0.295 0.000 2.656 1447 Y HA 0.655 5.204 4.550 -0.003 0.000 0.334 1447 Y C -1.735 174.283 175.900 0.196 0.000 1.179 1447 Y CA -1.121 57.108 58.100 0.216 0.000 1.050 1447 Y CB 1.360 39.878 38.460 0.096 0.000 1.308 1447 Y HN 0.695 nan 8.280 nan 0.000 0.456 1448 E N 2.591 123.007 120.200 0.360 0.000 2.316 1448 E HA 0.335 4.683 4.350 -0.003 0.000 0.254 1448 E C -2.179 174.668 176.600 0.411 0.000 0.902 1448 E CA -0.788 55.768 56.400 0.259 0.000 0.801 1448 E CB 0.991 30.809 29.700 0.197 0.000 1.270 1448 E HN 0.603 nan 8.360 nan 0.000 0.414 1449 F N 3.805 123.955 119.950 0.335 0.000 2.472 1449 F HA 0.200 4.725 4.527 -0.002 0.000 0.364 1449 F C -0.208 175.718 175.800 0.210 0.000 1.090 1449 F CA 0.243 58.421 58.000 0.297 0.000 1.188 1449 F CB 0.884 40.091 39.000 0.345 0.000 1.105 1449 F HN 0.472 nan 8.300 nan 0.000 0.536 1450 Q N 6.939 126.597 119.800 -0.237 0.000 2.337 1450 Q HA 0.353 4.692 4.340 -0.003 0.000 0.264 1450 Q C -2.194 173.642 176.000 -0.274 0.000 1.007 1450 Q CA -0.726 54.989 55.803 -0.147 0.000 0.727 1450 Q CB 1.293 30.013 28.738 -0.030 0.000 1.256 1450 Q HN 0.776 nan 8.270 nan 0.000 0.467 1451 Y N 1.549 121.603 120.300 -0.409 0.000 2.554 1451 Y HA 0.235 4.783 4.550 -0.003 0.000 0.338 1451 Y C -2.233 173.602 175.900 -0.108 0.000 1.247 1451 Y CA -0.756 57.146 58.100 -0.330 0.000 1.255 1451 Y CB 1.062 39.180 38.460 -0.569 0.000 1.346 1451 Y HN 0.604 nan 8.280 nan 0.000 0.481 1452 R N 7.187 127.238 120.500 -0.749 0.000 2.246 1452 R HA 0.525 4.863 4.340 -0.003 0.000 0.332 1452 R C -2.831 173.061 176.300 -0.680 0.000 0.974 1452 R CA -1.989 53.824 56.100 -0.479 0.000 0.837 1452 R CB 1.275 31.359 30.300 -0.360 0.000 1.145 1452 R HN 0.453 nan 8.270 nan 0.000 0.467 1453 P HA 0.016 nan 4.420 nan 0.000 0.274 1453 P C 0.195 177.291 177.300 -0.341 0.000 1.231 1453 P CA -0.166 62.865 63.100 -0.115 0.000 0.790 1453 P CB 1.495 33.206 31.700 0.019 0.000 0.951 1454 S N 1.101 116.492 115.700 -0.514 0.000 2.428 1454 S HA -0.116 4.353 4.470 -0.003 0.000 0.230 1454 S C 1.351 175.621 174.600 -0.551 0.000 1.014 1454 S CA 0.732 58.586 58.200 -0.576 0.000 0.957 1454 S CB -1.262 61.528 63.200 -0.683 0.000 0.784 1454 S HN 0.406 nan 8.310 nan 0.000 0.499 1455 F N 2.850 122.638 119.950 -0.270 0.000 2.795 1455 F HA 0.336 4.861 4.527 -0.002 0.000 0.303 1455 F C 1.150 176.745 175.800 -0.343 0.000 1.186 1455 F CA -0.440 57.385 58.000 -0.293 0.000 1.415 1455 F CB -0.889 37.918 39.000 -0.322 0.000 1.106 1455 F HN -0.013 nan 8.300 nan 0.000 0.558 1456 S N 0.014 115.584 115.700 -0.216 0.000 2.573 1456 S HA 0.014 4.483 4.470 -0.003 0.000 0.277 1456 S C 0.607 175.137 174.600 -0.116 0.000 1.346 1456 S CA -0.626 57.477 58.200 -0.163 0.000 1.034 1456 S CB 0.798 63.880 63.200 -0.196 0.000 0.879 1456 S HN 0.300 nan 8.310 nan 0.000 0.528 1457 S N 0.808 116.455 115.700 -0.087 0.000 2.552 1457 S HA -0.035 4.434 4.470 -0.003 0.000 0.289 1457 S C 0.869 175.324 174.600 -0.242 0.000 1.304 1457 S CA -0.514 57.625 58.200 -0.101 0.000 1.063 1457 S CB 0.080 63.267 63.200 -0.022 0.000 0.848 1457 S HN 0.615 nan 8.310 nan 0.000 0.499 1458 D N 4.198 124.511 120.400 -0.145 0.000 2.178 1458 D HA -0.112 4.526 4.640 -0.003 0.000 0.201 1458 D C 1.540 177.710 176.300 -0.217 0.000 0.980 1458 D CA 1.429 55.335 54.000 -0.157 0.000 0.842 1458 D CB -0.122 40.628 40.800 -0.083 0.000 0.948 1458 D HN 0.665 nan 8.370 nan 0.000 0.472 1459 M N 0.259 119.734 119.600 -0.208 0.000 2.700 1459 M HA -0.043 4.435 4.480 -0.003 0.000 0.249 1459 M C 0.874 176.836 176.300 -0.563 0.000 1.082 1459 M CA 0.514 55.701 55.300 -0.188 0.000 1.077 1459 M CB -0.021 32.635 32.600 0.093 0.000 1.477 1459 M HN -0.225 nan 8.290 nan 0.000 0.529 1460 K N 2.797 122.670 120.400 -0.879 0.000 2.183 1460 K HA 0.290 4.609 4.320 -0.003 0.000 0.274 1460 K C -2.321 173.924 176.600 -0.593 0.000 1.009 1460 K CA -1.827 53.725 56.287 -1.224 0.000 0.888 1460 K CB 1.098 32.854 32.500 -1.240 0.000 1.078 1460 K HN -0.113 nan 8.250 nan 0.000 0.459 1461 P HA 0.048 nan 4.420 nan 0.000 0.271 1461 P C -0.637 176.542 177.300 -0.201 0.000 1.216 1461 P CA -0.062 62.895 63.100 -0.238 0.000 0.771 1461 P CB 0.919 32.533 31.700 -0.143 0.000 0.864 1462 K N 0.832 121.136 120.400 -0.160 0.000 2.360 1462 K HA -0.113 4.205 4.320 -0.003 0.000 0.201 1462 K C 1.777 178.307 176.600 -0.116 0.000 1.046 1462 K CA 1.877 58.077 56.287 -0.144 0.000 0.940 1462 K CB -0.636 31.792 32.500 -0.120 0.000 0.748 1462 K HN 0.626 nan 8.250 nan 0.000 0.465 1463 T N -1.806 112.694 114.554 -0.091 0.000 3.055 1463 T HA 0.008 4.356 4.350 -0.003 0.000 0.265 1463 T C 0.788 175.464 174.700 -0.040 0.000 1.111 1463 T CA 0.018 62.085 62.100 -0.055 0.000 1.118 1463 T CB -0.060 68.791 68.868 -0.028 0.000 0.909 1463 T HN -0.158 nan 8.240 nan 0.000 0.501 1464 V N 2.668 122.549 119.914 -0.055 0.000 2.389 1464 V HA 0.423 4.542 4.120 -0.003 0.000 0.264 1464 V C 0.017 176.097 176.094 -0.023 0.000 1.049 1464 V CA -0.628 61.665 62.300 -0.011 0.000 0.932 1464 V CB 0.269 32.102 31.823 0.017 0.000 1.011 1464 V HN 0.449 nan 8.190 nan 0.000 0.475 1465 I N 3.753 124.323 120.570 -0.001 0.000 2.433 1465 I HA 0.606 4.775 4.170 -0.003 0.000 0.292 1465 I C 1.022 177.170 176.117 0.052 0.000 1.001 1465 I CA -0.429 60.861 61.300 -0.017 0.000 1.119 1465 I CB 1.784 39.753 38.000 -0.051 0.000 1.289 1465 I HN 0.777 nan 8.210 nan 0.000 0.438 1466 G N 3.675 112.533 108.800 0.097 0.000 2.198 1466 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.257 1466 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.257 1466 G C -0.115 174.926 174.900 0.235 0.000 1.042 1466 G CA 0.105 45.332 45.100 0.210 0.000 0.791 1466 G HN 0.729 nan 8.290 nan 0.000 0.502 1467 D N -0.738 119.798 120.400 0.227 0.000 2.363 1467 D HA 0.320 4.958 4.640 -0.003 0.000 0.240 1467 D C 1.001 177.478 176.300 0.294 0.000 1.236 1467 D CA -0.317 53.829 54.000 0.242 0.000 0.927 1467 D CB 0.289 41.250 40.800 0.269 0.000 1.150 1467 D HN 0.364 nan 8.370 nan 0.000 0.458 1468 H N -0.268 118.898 119.070 0.159 0.000 3.064 1468 H HA 0.230 4.784 4.556 -0.003 0.000 0.329 1468 H C 1.438 176.965 175.328 0.331 0.000 1.020 1468 H CA 1.737 57.878 56.048 0.155 0.000 1.402 1468 H CB 0.141 29.972 29.762 0.114 0.000 1.379 1468 H HN 0.600 nan 8.280 nan 0.000 0.594 1469 G N 4.398 113.105 108.800 -0.155 0.000 2.180 1469 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.263 1469 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.263 1469 G C 1.088 176.074 174.900 0.142 0.000 0.989 1469 G CA 0.691 45.712 45.100 -0.133 0.000 0.692 1469 G HN 0.741 nan 8.290 nan 0.000 0.526 1470 D N 0.330 120.904 120.400 0.289 0.000 2.312 1470 D HA -0.036 4.602 4.640 -0.003 0.000 0.211 1470 D C 2.329 178.832 176.300 0.338 0.000 0.964 1470 D CA 1.148 55.422 54.000 0.457 0.000 0.877 1470 D CB 0.065 41.170 40.800 0.509 0.000 0.924 1470 D HN 0.737 nan 8.370 nan 0.000 0.515 1471 E N 0.969 121.024 120.200 -0.243 0.000 2.371 1471 E HA -0.084 4.264 4.350 -0.003 0.000 0.194 1471 E C 2.112 178.436 176.600 -0.460 0.000 1.012 1471 E CA 0.059 55.808 56.400 -1.086 0.000 0.860 1471 E CB -0.462 28.461 29.700 -1.295 0.000 0.811 1471 E HN 0.309 nan 8.360 nan 0.000 0.502 1472 L N -0.084 121.004 121.223 -0.225 0.000 2.131 1472 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 1472 L C 2.228 178.928 176.870 -0.284 0.000 1.092 1472 L CA 1.128 55.802 54.840 -0.277 0.000 0.759 1472 L CB -0.536 41.223 42.059 -0.499 0.000 0.903 1472 L HN 0.028 nan 8.230 nan 0.000 0.435 1473 F N -0.723 119.173 119.950 -0.090 0.000 2.365 1473 F HA -0.142 4.384 4.527 -0.002 0.000 0.300 1473 F C 2.547 178.330 175.800 -0.029 0.000 1.090 1473 F CA 0.877 58.850 58.000 -0.046 0.000 1.408 1473 F CB -0.480 38.595 39.000 0.125 0.000 1.060 1473 F HN -0.025 nan 8.300 nan 0.000 0.534 1474 S N -0.341 115.393 115.700 0.055 0.000 2.339 1474 S HA -0.067 4.401 4.470 -0.003 0.000 0.213 1474 S C 2.310 176.768 174.600 -0.237 0.000 1.033 1474 S CA 0.759 58.936 58.200 -0.039 0.000 0.950 1474 S CB -0.570 62.586 63.200 -0.072 0.000 0.893 1474 S HN 0.053 nan 8.310 nan 0.000 0.492 1475 V N 1.271 120.900 119.914 -0.474 0.000 2.311 1475 V HA -0.241 3.878 4.120 -0.003 0.000 0.256 1475 V C 1.587 177.308 176.094 -0.622 0.000 1.077 1475 V CA 1.909 63.774 62.300 -0.724 0.000 1.067 1475 V CB -0.735 30.624 31.823 -0.773 0.000 0.659 1475 V HN 0.453 nan 8.190 nan 0.000 0.451 1476 F N -0.011 119.715 119.950 -0.374 0.000 2.693 1476 F HA 0.461 4.986 4.527 -0.003 0.000 0.303 1476 F C 1.623 177.268 175.800 -0.258 0.000 1.097 1476 F CA 0.465 58.262 58.000 -0.338 0.000 1.330 1476 F CB -0.144 38.603 39.000 -0.421 0.000 1.067 1476 F HN 0.242 nan 8.300 nan 0.000 0.565 1477 G N 1.045 109.806 108.800 -0.066 0.000 2.350 1477 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.298 1477 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.298 1477 G C 1.176 176.168 174.900 0.155 0.000 1.037 1477 G CA 0.300 45.455 45.100 0.092 0.000 1.074 1477 G HN 0.566 nan 8.290 nan 0.000 0.511 1478 A N 0.136 122.956 122.820 -0.001 0.000 1.969 1478 A HA 0.186 4.504 4.320 -0.003 0.000 0.218 1478 A C 0.546 178.045 177.584 -0.142 0.000 1.169 1478 A CA 1.872 53.793 52.037 -0.194 0.000 0.635 1478 A CB -0.577 18.130 19.000 -0.487 0.000 0.810 1478 A HN 0.468 nan 8.150 nan 0.000 0.445 1479 P HA -0.092 nan 4.420 nan 0.000 0.229 1479 P C 0.269 177.294 177.300 -0.459 0.000 1.150 1479 P CA 0.907 63.961 63.100 -0.078 0.000 0.765 1479 P CB -0.164 31.402 31.700 -0.222 0.000 0.783 1480 F N -2.939 117.025 119.950 0.024 0.000 2.704 1480 F HA 0.237 4.762 4.527 -0.003 0.000 0.304 1480 F C 1.707 177.523 175.800 0.028 0.000 1.094 1480 F CA 0.240 58.260 58.000 0.032 0.000 1.275 1480 F CB -0.147 38.827 39.000 -0.045 0.000 1.073 1480 F HN -0.191 nan 8.300 nan 0.000 0.586 1481 L N -1.155 120.132 121.223 0.108 0.000 2.586 1481 L HA 0.226 4.564 4.340 -0.003 0.000 0.204 1481 L C 0.617 177.508 176.870 0.035 0.000 1.053 1481 L CA 0.076 54.951 54.840 0.059 0.000 0.856 1481 L CB -0.097 41.963 42.059 0.002 0.000 1.192 1481 L HN -0.276 nan 8.230 nan 0.000 0.484 1482 K N 1.582 121.982 120.400 0.000 0.000 2.185 1482 K HA 0.270 4.589 4.320 -0.003 0.000 0.271 1482 K C -0.485 176.209 176.600 0.158 0.000 1.013 1482 K CA -0.207 56.116 56.287 0.060 0.000 0.943 1482 K CB 1.053 33.542 32.500 -0.020 0.000 0.998 1482 K HN 0.076 nan 8.250 nan 0.000 0.468 1483 E N -0.168 120.122 120.200 0.150 0.000 2.280 1483 E HA 0.311 4.659 4.350 -0.003 0.000 0.264 1483 E C 0.058 176.724 176.600 0.109 0.000 1.064 1483 E CA -0.646 55.821 56.400 0.112 0.000 0.900 1483 E CB 1.090 30.831 29.700 0.069 0.000 1.123 1483 E HN 0.749 nan 8.360 nan 0.000 0.418 1484 G N 0.384 109.210 108.800 0.043 0.000 2.470 1484 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.286 1484 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.286 1484 G C -0.423 174.431 174.900 -0.078 0.000 1.115 1484 G CA 0.032 45.124 45.100 -0.014 0.000 1.122 1484 G HN 0.611 nan 8.290 nan 0.000 0.522 1485 A N 0.127 122.909 122.820 -0.063 0.000 2.386 1485 A HA 0.981 5.299 4.320 -0.003 0.000 0.311 1485 A C 0.499 178.034 177.584 -0.082 0.000 1.068 1485 A CA 0.444 52.411 52.037 -0.117 0.000 0.743 1485 A CB 1.335 20.302 19.000 -0.056 0.000 1.258 1485 A HN 2.003 nan 8.150 nan 0.000 0.429 1486 S N 0.536 116.187 115.700 -0.081 0.000 2.634 1486 S HA 0.283 4.751 4.470 -0.003 0.000 0.261 1486 S C 0.800 175.382 174.600 -0.030 0.000 1.271 1486 S CA 0.296 58.469 58.200 -0.046 0.000 0.985 1486 S CB 0.834 64.014 63.200 -0.034 0.000 0.968 1486 S HN 0.746 nan 8.310 nan 0.000 0.568 1487 E N 0.441 120.632 120.200 -0.014 0.000 2.204 1487 E HA -0.127 4.221 4.350 -0.003 0.000 0.194 1487 E C 1.792 178.394 176.600 0.004 0.000 0.989 1487 E CA 1.557 57.955 56.400 -0.003 0.000 0.824 1487 E CB -0.321 29.382 29.700 0.005 0.000 0.756 1487 E HN 0.834 nan 8.360 nan 0.000 0.477 1488 E N 0.426 120.633 120.200 0.010 0.000 2.006 1488 E HA -0.222 4.126 4.350 -0.003 0.000 0.192 1488 E C 2.016 178.611 176.600 -0.008 0.000 0.993 1488 E CA 1.491 57.903 56.400 0.020 0.000 0.808 1488 E CB -0.264 29.475 29.700 0.064 0.000 0.764 1488 E HN 0.312 nan 8.360 nan 0.000 0.449 1489 E N 0.205 120.418 120.200 0.021 0.000 2.048 1489 E HA -0.249 4.099 4.350 -0.003 0.000 0.202 1489 E C 2.178 178.767 176.600 -0.019 0.000 1.021 1489 E CA 2.130 58.530 56.400 0.000 0.000 0.825 1489 E CB -0.279 29.460 29.700 0.065 0.000 0.756 1489 E HN 0.392 nan 8.360 nan 0.000 0.454 1490 I N 0.325 120.869 120.570 -0.044 0.000 2.185 1490 I HA -0.358 3.810 4.170 -0.003 0.000 0.246 1490 I C 2.798 178.957 176.117 0.070 0.000 1.088 1490 I CA 1.301 62.545 61.300 -0.095 0.000 1.347 1490 I CB -0.406 37.520 38.000 -0.125 0.000 1.041 1490 I HN 0.149 nan 8.210 nan 0.000 0.415 1491 R N 0.424 120.954 120.500 0.050 0.000 2.115 1491 R HA -0.145 4.193 4.340 -0.003 0.000 0.226 1491 R C 2.279 178.611 176.300 0.053 0.000 1.100 1491 R CA 1.055 57.198 56.100 0.071 0.000 0.980 1491 R CB -0.099 30.223 30.300 0.037 0.000 0.875 1491 R HN 0.245 nan 8.270 nan 0.000 0.445 1492 L N 0.247 121.466 121.223 -0.007 0.000 2.044 1492 L HA -0.089 4.250 4.340 -0.003 0.000 0.205 1492 L C 2.264 179.156 176.870 0.036 0.000 1.075 1492 L CA 1.957 56.773 54.840 -0.041 0.000 0.747 1492 L CB -0.869 41.044 42.059 -0.244 0.000 0.903 1492 L HN 0.013 nan 8.230 nan 0.000 0.435 1493 S N -0.597 115.151 115.700 0.080 0.000 2.359 1493 S HA -0.275 4.193 4.470 -0.003 0.000 0.224 1493 S C 2.138 176.813 174.600 0.126 0.000 1.035 1493 S CA 1.766 60.043 58.200 0.128 0.000 1.018 1493 S CB -0.304 63.067 63.200 0.284 0.000 0.876 1493 S HN 0.516 nan 8.310 nan 0.000 0.448 1494 K N 0.146 120.679 120.400 0.221 0.000 2.113 1494 K HA -0.146 4.173 4.320 -0.003 0.000 0.208 1494 K C 2.308 178.945 176.600 0.062 0.000 1.047 1494 K CA 1.774 58.162 56.287 0.168 0.000 0.928 1494 K CB -0.275 32.367 32.500 0.236 0.000 0.716 1494 K HN 0.501 nan 8.250 nan 0.000 0.446 1495 M N 0.579 120.208 119.600 0.049 0.000 2.123 1495 M HA -0.141 4.337 4.480 -0.003 0.000 0.263 1495 M C 2.000 178.348 176.300 0.080 0.000 1.069 1495 M CA 1.337 56.630 55.300 -0.012 0.000 1.133 1495 M CB 0.083 32.703 32.600 0.034 0.000 1.356 1495 M HN -0.065 nan 8.290 nan 0.000 0.415 1496 V N 1.415 121.416 119.914 0.145 0.000 2.233 1496 V HA -0.361 3.757 4.120 -0.003 0.000 0.247 1496 V C 2.491 178.656 176.094 0.118 0.000 1.050 1496 V CA 2.308 64.696 62.300 0.146 0.000 1.010 1496 V CB -0.752 30.936 31.823 -0.224 0.000 0.637 1496 V HN 0.554 nan 8.190 nan 0.000 0.444 1497 M N -0.797 118.767 119.600 -0.060 0.000 2.108 1497 M HA -0.244 4.234 4.480 -0.003 0.000 0.257 1497 M C 2.366 178.713 176.300 0.078 0.000 1.071 1497 M CA 1.807 57.069 55.300 -0.063 0.000 1.093 1497 M CB -0.565 31.954 32.600 -0.134 0.000 1.345 1497 M HN 0.203 nan 8.290 nan 0.000 0.403 1498 K N 0.156 120.591 120.400 0.059 0.000 2.097 1498 K HA -0.083 4.235 4.320 -0.003 0.000 0.205 1498 K C 1.778 178.448 176.600 0.115 0.000 1.050 1498 K CA 1.541 57.841 56.287 0.021 0.000 0.938 1498 K CB -0.298 32.144 32.500 -0.097 0.000 0.718 1498 K HN 0.312 nan 8.250 nan 0.000 0.442 1499 F N -0.648 119.453 119.950 0.252 0.000 2.113 1499 F HA -0.221 4.304 4.527 -0.003 0.000 0.297 1499 F C 2.515 178.471 175.800 0.259 0.000 1.103 1499 F CA 0.748 58.934 58.000 0.309 0.000 1.248 1499 F CB -0.229 39.090 39.000 0.532 0.000 0.999 1499 F HN 0.186 nan 8.300 nan 0.000 0.475 1500 W N 0.242 121.636 121.300 0.157 0.000 2.332 1500 W HA -0.273 4.385 4.660 -0.004 0.000 0.321 1500 W C 2.662 179.178 176.519 -0.005 0.000 1.219 1500 W CA 1.169 58.516 57.345 0.003 0.000 1.277 1500 W CB -0.852 28.525 29.460 -0.138 0.000 1.161 1500 W HN 0.014 nan 8.180 nan 0.000 0.476 1501 A N 0.833 123.770 122.820 0.196 0.000 1.908 1501 A HA -0.262 4.057 4.320 -0.003 0.000 0.218 1501 A C 1.744 179.358 177.584 0.051 0.000 1.181 1501 A CA 2.081 54.159 52.037 0.068 0.000 0.627 1501 A CB -1.143 17.881 19.000 0.040 0.000 0.818 1501 A HN 0.302 nan 8.150 nan 0.000 0.445 1502 N N -0.994 117.756 118.700 0.082 0.000 2.104 1502 N HA -0.157 4.581 4.740 -0.003 0.000 0.190 1502 N C 1.458 176.971 175.510 0.005 0.000 1.024 1502 N CA 1.566 54.643 53.050 0.045 0.000 0.853 1502 N CB -0.658 37.875 38.487 0.078 0.000 1.008 1502 N HN 0.525 nan 8.380 nan 0.000 0.424 1503 F N 1.899 121.763 119.950 -0.143 0.000 2.095 1503 F HA -0.123 4.402 4.527 -0.003 0.000 0.298 1503 F C 2.167 177.867 175.800 -0.167 0.000 1.104 1503 F CA 1.427 59.274 58.000 -0.255 0.000 1.232 1503 F CB -0.553 38.195 39.000 -0.419 0.000 0.987 1503 F HN 0.042 nan 8.300 nan 0.000 0.475 1504 A N -0.320 122.422 122.820 -0.130 0.000 2.178 1504 A HA -0.091 4.228 4.320 -0.003 0.000 0.218 1504 A C 2.235 179.730 177.584 -0.149 0.000 1.157 1504 A CA 1.343 53.283 52.037 -0.161 0.000 0.689 1504 A CB -0.592 18.366 19.000 -0.071 0.000 0.787 1504 A HN 0.510 nan 8.150 nan 0.000 0.465 1505 R N -1.303 119.115 120.500 -0.138 0.000 2.142 1505 R HA 0.108 4.447 4.340 -0.003 0.000 0.204 1505 R C 0.671 176.893 176.300 -0.130 0.000 1.059 1505 R CA 0.821 56.860 56.100 -0.101 0.000 1.055 1505 R CB 0.161 30.429 30.300 -0.053 0.000 0.976 1505 R HN 0.472 nan 8.270 nan 0.000 0.483 1506 N N -1.105 117.497 118.700 -0.163 0.000 2.159 1506 N HA 0.099 4.838 4.740 -0.003 0.000 0.217 1506 N C 0.619 175.997 175.510 -0.220 0.000 1.223 1506 N CA 0.851 53.814 53.050 -0.145 0.000 0.896 1506 N CB 1.900 40.339 38.487 -0.081 0.000 1.064 1506 N HN 0.292 nan 8.380 nan 0.000 0.518 1507 G N 1.608 110.147 108.800 -0.436 0.000 2.148 1507 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.254 1507 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.254 1507 G C -0.100 174.572 174.900 -0.380 0.000 0.981 1507 G CA 0.247 44.940 45.100 -0.679 0.000 0.670 1507 G HN 0.447 nan 8.290 nan 0.000 0.528 1508 N N -0.109 118.446 118.700 -0.242 0.000 2.519 1508 N HA 0.372 5.110 4.740 -0.003 0.000 0.286 1508 N C -1.275 174.120 175.510 -0.192 0.000 1.079 1508 N CA -1.355 51.574 53.050 -0.202 0.000 0.878 1508 N CB 2.344 40.820 38.487 -0.018 0.000 1.375 1508 N HN -0.020 nan 8.380 nan 0.000 0.514 1509 P HA -0.104 nan 4.420 nan 0.000 0.220 1509 P C -0.179 177.245 177.300 0.208 0.000 1.148 1509 P CA 0.655 63.693 63.100 -0.104 0.000 0.803 1509 P CB 0.284 31.652 31.700 -0.553 0.000 0.782 1510 N N 0.890 119.661 118.700 0.119 0.000 2.411 1510 N HA 0.186 4.924 4.740 -0.003 0.000 0.261 1510 N C 0.814 176.417 175.510 0.156 0.000 1.248 1510 N CA 1.046 54.238 53.050 0.236 0.000 0.885 1510 N CB 0.589 39.197 38.487 0.202 0.000 1.062 1510 N HN 0.182 nan 8.380 nan 0.000 0.471 1511 G N 0.629 109.511 108.800 0.137 0.000 2.687 1511 G HA2 0.199 4.157 3.960 -0.003 0.000 0.291 1511 G HA3 0.199 4.157 3.960 -0.003 0.000 0.291 1511 G C -1.156 173.773 174.900 0.048 0.000 1.420 1511 G CA -0.419 44.720 45.100 0.065 0.000 0.796 1511 G HN 0.381 nan 8.290 nan 0.000 0.485 1512 E N -0.074 120.142 120.200 0.027 0.000 2.351 1512 E HA 0.452 4.801 4.350 -0.003 0.000 0.266 1512 E C 0.891 177.492 176.600 0.002 0.000 1.031 1512 E CA 1.013 57.428 56.400 0.023 0.000 0.911 1512 E CB 0.204 29.915 29.700 0.018 0.000 0.986 1512 E HN 1.830 nan 8.360 nan 0.000 0.446 1513 G N 4.266 113.074 108.800 0.013 0.000 2.291 1513 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.271 1513 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.271 1513 G C -0.495 174.386 174.900 -0.032 0.000 1.099 1513 G CA 0.232 45.332 45.100 -0.001 0.000 0.919 1513 G HN 0.436 nan 8.290 nan 0.000 0.496 1514 L N -1.098 120.120 121.223 -0.009 0.000 2.505 1514 L HA 0.452 4.790 4.340 -0.003 0.000 0.259 1514 L C -2.152 174.799 176.870 0.135 0.000 0.952 1514 L CA -2.225 52.582 54.840 -0.055 0.000 0.840 1514 L CB 2.200 44.083 42.059 -0.293 0.000 1.358 1514 L HN -0.036 nan 8.230 nan 0.000 0.409 1515 P HA -0.047 nan 4.420 nan 0.000 0.269 1515 P C -0.968 176.562 177.300 0.384 0.000 1.205 1515 P CA 0.016 63.284 63.100 0.280 0.000 0.780 1515 P CB 0.233 32.097 31.700 0.272 0.000 0.858 1516 H N 1.579 120.785 119.070 0.228 0.000 2.767 1516 H HA 0.197 4.752 4.556 -0.003 0.000 0.316 1516 H C -1.049 174.458 175.328 0.299 0.000 1.059 1516 H CA -0.190 56.012 56.048 0.257 0.000 1.461 1516 H CB 0.211 30.077 29.762 0.174 0.000 1.475 1516 H HN 0.347 nan 8.280 nan 0.000 0.531 1517 W N 10.025 131.063 121.300 -0.436 0.000 2.283 1517 W HA 0.308 4.966 4.660 -0.003 0.000 0.317 1517 W C -2.785 173.504 176.519 -0.384 0.000 1.042 1517 W CA -3.221 53.942 57.345 -0.304 0.000 1.348 1517 W CB 0.833 30.153 29.460 -0.234 0.000 1.216 1517 W HN 0.579 nan 8.180 nan 0.000 0.404 1518 P HA 0.024 nan 4.420 nan 0.000 0.275 1518 P C -0.301 177.192 177.300 0.321 0.000 1.228 1518 P CA 0.165 63.413 63.100 0.247 0.000 0.786 1518 P CB 1.339 33.191 31.700 0.253 0.000 0.927 1519 E N 2.203 122.469 120.200 0.110 0.000 2.373 1519 E HA -0.032 4.316 4.350 -0.003 0.000 0.267 1519 E C -0.901 175.663 176.600 -0.060 0.000 1.032 1519 E CA -0.548 55.701 56.400 -0.252 0.000 0.889 1519 E CB 0.232 29.749 29.700 -0.304 0.000 0.984 1519 E HN 0.386 nan 8.360 nan 0.000 0.425 1520 Y N 5.926 126.106 120.300 -0.199 0.000 2.532 1520 Y HA 0.043 4.591 4.550 -0.003 0.000 0.337 1520 Y C -0.326 175.553 175.900 -0.036 0.000 1.274 1520 Y CA -0.175 57.910 58.100 -0.025 0.000 1.817 1520 Y CB -0.712 37.750 38.460 0.004 0.000 1.769 1520 Y HN 0.494 nan 8.280 nan 0.000 0.447 1521 N N -0.133 118.445 118.700 -0.203 0.000 2.867 1521 N HA 0.119 4.857 4.740 -0.003 0.000 0.326 1521 N C 0.780 176.145 175.510 -0.241 0.000 1.355 1521 N CA -0.479 52.475 53.050 -0.159 0.000 0.830 1521 N CB 0.202 38.644 38.487 -0.075 0.000 1.152 1521 N HN 0.160 nan 8.380 nan 0.000 0.569 1522 Q N -0.200 119.523 119.800 -0.129 0.000 2.248 1522 Q HA -0.100 4.238 4.340 -0.003 0.000 0.208 1522 Q C 0.924 176.851 176.000 -0.122 0.000 0.984 1522 Q CA 1.512 57.249 55.803 -0.110 0.000 0.875 1522 Q CB -0.402 28.306 28.738 -0.050 0.000 0.910 1522 Q HN 0.627 nan 8.270 nan 0.000 0.433 1523 K N 0.613 120.949 120.400 -0.107 0.000 2.486 1523 K HA -0.012 4.306 4.320 -0.003 0.000 0.194 1523 K C -0.096 176.445 176.600 -0.099 0.000 1.033 1523 K CA -0.048 56.199 56.287 -0.068 0.000 1.004 1523 K CB 0.244 32.730 32.500 -0.023 0.000 0.798 1523 K HN 0.199 nan 8.250 nan 0.000 0.495 1524 E N 0.245 120.281 120.200 -0.273 0.000 2.297 1524 E HA -0.159 4.190 4.350 -0.003 0.000 0.228 1524 E C -0.020 176.591 176.600 0.017 0.000 1.213 1524 E CA 0.261 56.406 56.400 -0.425 0.000 0.712 1524 E CB -1.685 27.867 29.700 -0.246 0.000 1.202 1524 E HN 0.517 nan 8.360 nan 0.000 0.376 1525 G N 0.773 109.611 108.800 0.062 0.000 2.415 1525 G HA2 0.460 4.418 3.960 -0.003 0.000 0.269 1525 G HA3 0.460 4.418 3.960 -0.003 0.000 0.269 1525 G C -0.344 174.811 174.900 0.425 0.000 1.209 1525 G CA -0.149 45.073 45.100 0.203 0.000 0.835 1525 G HN 0.305 nan 8.290 nan 0.000 0.534 1526 Y N 0.005 120.440 120.300 0.225 0.000 2.689 1526 Y HA 0.725 5.274 4.550 -0.003 0.000 0.333 1526 Y C -1.462 174.427 175.900 -0.018 0.000 1.190 1526 Y CA -1.862 56.389 58.100 0.253 0.000 1.063 1526 Y CB 1.675 40.285 38.460 0.250 0.000 1.294 1526 Y HN 0.557 nan 8.280 nan 0.000 0.466 1527 L N 2.162 123.216 121.223 -0.282 0.000 2.296 1527 L HA 0.492 4.831 4.340 -0.003 0.000 0.286 1527 L C -0.842 175.881 176.870 -0.246 0.000 1.023 1527 L CA -0.479 53.977 54.840 -0.640 0.000 0.812 1527 L CB 1.782 42.892 42.059 -1.582 0.000 1.223 1527 L HN 0.776 nan 8.230 nan 0.000 0.421 1528 Q N 5.390 125.062 119.800 -0.213 0.000 2.377 1528 Q HA 0.454 4.792 4.340 -0.003 0.000 0.249 1528 Q C -0.789 175.181 176.000 -0.049 0.000 1.005 1528 Q CA -0.098 55.699 55.803 -0.009 0.000 0.912 1528 Q CB 0.944 29.677 28.738 -0.009 0.000 1.223 1528 Q HN 0.633 nan 8.270 nan 0.000 0.459 1529 I N 1.675 122.259 120.570 0.023 0.000 2.532 1529 I HA 0.636 4.804 4.170 -0.003 0.000 0.292 1529 I C 0.848 176.904 176.117 -0.101 0.000 1.014 1529 I CA -0.107 61.198 61.300 0.007 0.000 1.340 1529 I CB 1.380 39.481 38.000 0.168 0.000 1.422 1529 I HN 0.746 nan 8.210 nan 0.000 0.528 1530 G N 2.657 111.377 108.800 -0.134 0.000 2.367 1530 G HA2 0.294 4.252 3.960 -0.003 0.000 0.272 1530 G HA3 0.294 4.252 3.960 -0.003 0.000 0.272 1530 G C 0.178 175.015 174.900 -0.104 0.000 1.271 1530 G CA -0.006 44.977 45.100 -0.194 0.000 0.893 1530 G HN 0.618 nan 8.290 nan 0.000 0.485 1531 A N -0.517 122.312 122.820 0.014 0.000 1.883 1531 A HA 0.093 4.411 4.320 -0.003 0.000 0.217 1531 A C 1.029 178.618 177.584 0.007 0.000 1.186 1531 A CA 1.658 53.716 52.037 0.036 0.000 0.624 1531 A CB -0.433 18.631 19.000 0.107 0.000 0.822 1531 A HN 0.497 nan 8.150 nan 0.000 0.444 1532 N N 0.763 119.467 118.700 0.006 0.000 2.501 1532 N HA 0.279 5.017 4.740 -0.003 0.000 0.245 1532 N C -1.402 174.103 175.510 -0.007 0.000 0.974 1532 N CA 0.110 53.162 53.050 0.004 0.000 0.941 1532 N CB 1.316 39.806 38.487 0.005 0.000 1.122 1532 N HN 0.096 nan 8.380 nan 0.000 0.507 1533 T N 3.354 117.909 114.554 0.002 0.000 2.801 1533 T HA 0.282 4.630 4.350 -0.003 0.000 0.306 1533 T C -0.015 174.680 174.700 -0.009 0.000 1.020 1533 T CA -0.685 61.411 62.100 -0.007 0.000 0.948 1533 T CB 0.743 69.633 68.868 0.038 0.000 0.962 1533 T HN 0.408 nan 8.240 nan 0.000 0.465 1534 Q N 1.879 121.647 119.800 -0.053 0.000 2.418 1534 Q HA 0.731 5.069 4.340 -0.003 0.000 0.282 1534 Q C -1.077 174.840 176.000 -0.139 0.000 1.044 1534 Q CA -1.160 54.610 55.803 -0.054 0.000 0.813 1534 Q CB 1.572 30.295 28.738 -0.025 0.000 1.428 1534 Q HN 0.520 nan 8.270 nan 0.000 0.402 1535 A N 0.883 123.629 122.820 -0.124 0.000 2.406 1535 A HA 0.739 5.057 4.320 -0.003 0.000 0.243 1535 A C -0.197 177.225 177.584 -0.271 0.000 1.082 1535 A CA 0.577 52.487 52.037 -0.211 0.000 0.786 1535 A CB -0.005 18.957 19.000 -0.064 0.000 1.029 1535 A HN 1.217 nan 8.150 nan 0.000 0.495 1536 A N 0.266 122.786 122.820 -0.501 0.000 2.568 1536 A HA 0.729 5.048 4.320 -0.003 0.000 0.291 1536 A C -0.898 176.455 177.584 -0.386 0.000 1.159 1536 A CA -0.636 51.115 52.037 -0.476 0.000 0.679 1536 A CB 1.039 19.675 19.000 -0.606 0.000 1.285 1536 A HN 0.861 nan 8.150 nan 0.000 0.428 1537 Q N 0.233 120.055 119.800 0.037 0.000 2.495 1537 Q HA 0.551 4.889 4.340 -0.003 0.000 0.287 1537 Q C -1.433 174.820 176.000 0.421 0.000 1.078 1537 Q CA -1.163 54.802 55.803 0.270 0.000 0.793 1537 Q CB 1.943 30.752 28.738 0.117 0.000 1.459 1537 Q HN 0.639 nan 8.270 nan 0.000 0.422 1538 K N 1.373 121.957 120.400 0.306 0.000 5.294 1538 K HA -0.233 4.085 4.320 -0.003 0.000 0.344 1538 K C 0.350 177.040 176.600 0.150 0.000 0.909 1538 K CA -0.131 56.269 56.287 0.188 0.000 1.081 1538 K CB -0.732 31.843 32.500 0.125 0.000 1.814 1538 K HN 0.552 nan 8.250 nan 0.000 0.407 1539 L N 2.209 123.403 121.223 -0.047 0.000 1.932 1539 L HA -0.144 4.194 4.340 -0.003 0.000 0.217 1539 L C 1.204 178.000 176.870 -0.124 0.000 1.077 1539 L CA 1.835 56.443 54.840 -0.386 0.000 0.765 1539 L CB 0.030 41.721 42.059 -0.614 0.000 0.888 1539 L HN 0.433 nan 8.230 nan 0.000 0.433 1540 K N -0.310 120.062 120.400 -0.047 0.000 2.792 1540 K HA 0.101 4.419 4.320 -0.003 0.000 0.207 1540 K C 0.704 177.350 176.600 0.077 0.000 1.103 1540 K CA 0.317 56.621 56.287 0.028 0.000 1.048 1540 K CB 0.410 32.931 32.500 0.035 0.000 0.777 1540 K HN 0.308 nan 8.250 nan 0.000 0.468 1541 D N 2.006 122.449 120.400 0.072 0.000 2.170 1541 D HA -0.210 4.428 4.640 -0.003 0.000 0.193 1541 D C 1.339 177.694 176.300 0.093 0.000 1.004 1541 D CA 1.805 55.857 54.000 0.086 0.000 0.860 1541 D CB 0.476 41.322 40.800 0.077 0.000 0.931 1541 D HN 0.141 nan 8.370 nan 0.000 0.448 1542 K N -0.768 119.682 120.400 0.084 0.000 2.228 1542 K HA -0.048 4.271 4.320 -0.003 0.000 0.202 1542 K C 2.059 178.738 176.600 0.133 0.000 1.051 1542 K CA 0.879 57.214 56.287 0.080 0.000 0.960 1542 K CB 0.100 32.620 32.500 0.035 0.000 0.743 1542 K HN 0.147 nan 8.250 nan 0.000 0.458 1543 E N 0.393 120.704 120.200 0.185 0.000 2.107 1543 E HA -0.096 4.252 4.350 -0.003 0.000 0.191 1543 E C 1.889 178.743 176.600 0.424 0.000 0.982 1543 E CA 0.607 57.223 56.400 0.360 0.000 0.809 1543 E CB -0.060 29.870 29.700 0.383 0.000 0.756 1543 E HN -0.051 nan 8.360 nan 0.000 0.459 1544 V N 1.181 121.251 119.914 0.260 0.000 2.287 1544 V HA -0.306 3.812 4.120 -0.003 0.000 0.248 1544 V C 2.197 178.403 176.094 0.187 0.000 1.053 1544 V CA 1.871 64.300 62.300 0.215 0.000 1.027 1544 V CB -0.911 30.995 31.823 0.138 0.000 0.646 1544 V HN 0.351 nan 8.190 nan 0.000 0.447 1545 A N -0.044 122.865 122.820 0.148 0.000 1.841 1545 A HA -0.281 4.037 4.320 -0.003 0.000 0.216 1545 A C 2.133 179.761 177.584 0.074 0.000 1.199 1545 A CA 2.258 54.356 52.037 0.101 0.000 0.621 1545 A CB -0.941 18.112 19.000 0.089 0.000 0.835 1545 A HN 0.513 nan 8.150 nan 0.000 0.445 1546 F N -0.762 119.137 119.950 -0.083 0.000 2.091 1546 F HA -0.248 4.277 4.527 -0.003 0.000 0.299 1546 F C 1.991 177.571 175.800 -0.367 0.000 1.103 1546 F CA 1.984 59.829 58.000 -0.258 0.000 1.228 1546 F CB -0.521 38.240 39.000 -0.399 0.000 0.984 1546 F HN 0.422 nan 8.300 nan 0.000 0.477 1547 W N 0.110 121.309 121.300 -0.168 0.000 2.407 1547 W HA -0.099 4.559 4.660 -0.002 0.000 0.305 1547 W C 2.649 178.955 176.519 -0.355 0.000 1.196 1547 W CA 1.574 58.652 57.345 -0.445 0.000 1.311 1547 W CB -1.123 28.193 29.460 -0.241 0.000 1.135 1547 W HN -0.213 nan 8.180 nan 0.000 0.514 1548 T N 0.354 114.956 114.554 0.081 0.000 2.737 1548 T HA -0.304 4.044 4.350 -0.003 0.000 0.269 1548 T C 1.396 176.096 174.700 0.001 0.000 1.040 1548 T CA 1.930 64.078 62.100 0.080 0.000 1.142 1548 T CB -0.570 68.345 68.868 0.079 0.000 0.861 1548 T HN 0.154 nan 8.240 nan 0.000 0.456 1549 N N 0.814 119.450 118.700 -0.107 0.000 2.062 1549 N HA -0.037 4.701 4.740 -0.003 0.000 0.191 1549 N C 1.751 177.127 175.510 -0.223 0.000 1.042 1549 N CA 0.929 53.889 53.050 -0.150 0.000 0.845 1549 N CB -0.592 37.792 38.487 -0.172 0.000 1.024 1549 N HN 0.209 nan 8.380 nan 0.000 0.424 1550 L N -0.226 120.697 121.223 -0.501 0.000 2.079 1550 L HA 0.029 4.367 4.340 -0.003 0.000 0.210 1550 L C 1.472 178.277 176.870 -0.109 0.000 1.081 1550 L CA 1.596 56.139 54.840 -0.495 0.000 0.752 1550 L CB -0.672 40.773 42.059 -1.023 0.000 0.896 1550 L HN 0.287 nan 8.230 nan 0.000 0.433 1551 F N -1.215 118.706 119.950 -0.048 0.000 2.816 1551 F HA 0.093 4.618 4.527 -0.002 0.000 0.302 1551 F C 1.868 177.666 175.800 -0.003 0.000 1.178 1551 F CA -0.007 58.002 58.000 0.015 0.000 1.421 1551 F CB -0.146 38.885 39.000 0.051 0.000 1.114 1551 F HN 0.219 nan 8.300 nan 0.000 0.573 1552 A N 0.270 123.172 122.820 0.138 0.000 2.387 1552 A HA 0.213 4.531 4.320 -0.003 0.000 0.234 1552 A C 0.629 178.245 177.584 0.053 0.000 1.253 1552 A CA -0.110 51.973 52.037 0.077 0.000 0.894 1552 A CB -0.184 18.839 19.000 0.039 0.000 0.963 1552 A HN 0.323 nan 8.150 nan 0.000 0.508 1553 K N 0.000 120.439 120.400 0.066 0.000 2.780 1553 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 1553 K CA 0.000 56.315 56.287 0.047 0.000 0.838 1553 K CB 0.000 32.527 32.500 0.044 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543