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 1jm6_1_B DATA FIRST_RESID 1002 DATA SEQUENCE NASLAGAPKY IEHFSKFSPS PLSMKQFLDF GXXXACEKTS FTFLRQELPV DATA SEQUENCE RLANIMKEIN LLPDRVLSTP SVQLVQSWYV QSLLDIMEFL DKDPEDHRTL DATA SEQUENCE SQFTDALVTI RNRHNDVVPT MAQGVLEYXX XXXXXXXXXQ NIQYFLDRFY DATA SEQUENCE LSRISIRMLI NQHTLIFDXX XXXXXPKHIG SIDPNCSVSD VVKDAYDMAK DATA SEQUENCE LLCDKYYMAS PDLEIQEVNA TNATQPIHMV YVPSHLYHML FELFKNAMRA DATA SEQUENCE TVESHESSLT LPPIKIMVAL GEEDLSIKMS DRGGGVPLRK IERLFSYMYS DATA SEQUENCE TAPTPXXXXX XXPLAGFGYG LPISRLYAKY FQGDLQLFSM EGFGTDAVIY DATA SEQUENCE LKALSTDSVE RLPV 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 1002 N HA 0.000 nan 4.740 nan 0.000 0.220 1002 N C 0.000 175.541 175.510 0.051 0.000 1.280 1002 N CA 0.000 53.081 53.050 0.051 0.000 0.885 1002 N CB 0.000 38.520 38.487 0.054 0.000 1.341 1003 A N 1.419 124.275 122.820 0.060 0.000 2.346 1003 A HA 0.532 4.853 4.320 0.001 0.000 0.255 1003 A C 0.880 178.534 177.584 0.117 0.000 1.113 1003 A CA -0.156 51.926 52.037 0.075 0.000 0.798 1003 A CB 0.039 19.076 19.000 0.063 0.000 1.073 1003 A HN 0.714 nan 8.150 nan 0.000 0.502 1004 S N 0.073 115.850 115.700 0.130 0.000 2.516 1004 S HA 0.211 4.681 4.470 0.001 0.000 0.282 1004 S C 0.651 175.340 174.600 0.150 0.000 1.286 1004 S CA 0.102 58.372 58.200 0.117 0.000 1.066 1004 S CB 0.017 63.273 63.200 0.094 0.000 0.884 1004 S HN 1.360 nan 8.310 nan 0.000 0.491 1005 L N 0.726 122.014 121.223 0.109 0.000 2.762 1005 L HA 0.404 4.744 4.340 0.001 0.000 0.250 1005 L C 1.383 178.285 176.870 0.054 0.000 1.160 1005 L CA 0.213 55.115 54.840 0.104 0.000 0.951 1005 L CB -0.776 41.333 42.059 0.085 0.000 1.148 1005 L HN 0.772 nan 8.230 nan 0.000 0.424 1006 A N 0.068 122.912 122.820 0.041 0.000 2.220 1006 A HA 0.336 4.656 4.320 0.001 0.000 0.211 1006 A C 2.061 179.589 177.584 -0.094 0.000 1.176 1006 A CA 0.556 52.586 52.037 -0.011 0.000 0.834 1006 A CB -0.229 18.770 19.000 -0.001 0.000 0.868 1006 A HN 0.511 nan 8.150 nan 0.000 0.488 1007 G N -0.730 107.976 108.800 -0.157 0.000 2.777 1007 G HA2 0.237 4.197 3.960 0.001 0.000 0.211 1007 G HA3 0.237 4.197 3.960 0.001 0.000 0.211 1007 G C 1.501 175.796 174.900 -1.008 0.000 1.149 1007 G CA 0.970 45.711 45.100 -0.597 0.000 0.785 1007 G HN 0.608 nan 8.290 nan 0.000 0.536 1008 A N 2.178 124.748 122.820 -0.417 0.000 1.909 1008 A HA -0.137 4.184 4.320 0.001 0.000 0.221 1008 A C 0.727 178.235 177.584 -0.126 0.000 1.223 1008 A CA 2.259 54.225 52.037 -0.118 0.000 0.658 1008 A CB -1.392 17.634 19.000 0.043 0.000 0.831 1008 A HN 0.382 nan 8.150 nan 0.000 0.462 1009 P HA -0.171 nan 4.420 nan 0.000 0.216 1009 P C 1.173 178.437 177.300 -0.061 0.000 1.153 1009 P CA 1.795 64.858 63.100 -0.062 0.000 0.858 1009 P CB -0.095 31.566 31.700 -0.065 0.000 0.789 1010 K N -1.455 118.834 120.400 -0.185 0.000 2.103 1010 K HA -0.106 4.214 4.320 0.001 0.000 0.204 1010 K C 2.319 178.970 176.600 0.085 0.000 1.052 1010 K CA 1.279 57.508 56.287 -0.096 0.000 0.945 1010 K CB -0.647 31.751 32.500 -0.170 0.000 0.722 1010 K HN 0.295 nan 8.250 nan 0.000 0.443 1011 Y N 1.168 121.572 120.300 0.174 0.000 2.224 1011 Y HA -0.191 4.359 4.550 0.001 0.000 0.289 1011 Y C 2.280 178.403 175.900 0.373 0.000 1.146 1011 Y CA 0.312 58.594 58.100 0.303 0.000 1.182 1011 Y CB -0.388 38.252 38.460 0.300 0.000 0.983 1011 Y HN -0.037 nan 8.280 nan 0.000 0.524 1012 I N -0.125 120.668 120.570 0.373 0.000 2.163 1012 I HA -0.223 3.948 4.170 0.001 0.000 0.240 1012 I C 2.358 178.639 176.117 0.273 0.000 1.081 1012 I CA 1.116 62.601 61.300 0.309 0.000 1.353 1012 I CB -0.332 37.788 38.000 0.200 0.000 1.054 1012 I HN 0.097 nan 8.210 nan 0.000 0.407 1013 E N 0.259 120.582 120.200 0.205 0.000 2.219 1013 E HA -0.274 4.076 4.350 0.001 0.000 0.198 1013 E C 1.841 178.561 176.600 0.201 0.000 0.998 1013 E CA 1.323 57.820 56.400 0.163 0.000 0.818 1013 E CB -0.310 29.456 29.700 0.111 0.000 0.741 1013 E HN 0.539 nan 8.360 nan 0.000 0.477 1014 H N -1.039 118.112 119.070 0.135 0.000 2.266 1014 H HA -0.001 4.556 4.556 0.001 0.000 0.308 1014 H C 1.586 177.021 175.328 0.178 0.000 1.057 1014 H CA 1.819 57.905 56.048 0.063 0.000 1.330 1014 H CB -0.743 28.955 29.762 -0.107 0.000 1.400 1014 H HN 0.154 nan 8.280 nan 0.000 0.503 1015 F N 0.101 120.061 119.950 0.017 0.000 2.451 1015 F HA -0.079 4.448 4.527 0.000 0.000 0.299 1015 F C 2.762 178.642 175.800 0.132 0.000 1.101 1015 F CA 1.002 58.961 58.000 -0.069 0.000 1.436 1015 F CB -0.272 38.661 39.000 -0.111 0.000 1.074 1015 F HN 0.279 nan 8.300 nan 0.000 0.553 1016 S N -0.173 115.700 115.700 0.289 0.000 2.522 1016 S HA -0.108 4.362 4.470 0.001 0.000 0.227 1016 S C 1.968 176.667 174.600 0.165 0.000 0.986 1016 S CA 0.556 58.881 58.200 0.209 0.000 0.929 1016 S CB -0.159 63.144 63.200 0.170 0.000 0.769 1016 S HN 0.191 nan 8.310 nan 0.000 0.529 1017 K N 0.108 120.601 120.400 0.155 0.000 2.366 1017 K HA 0.254 4.575 4.320 0.001 0.000 0.198 1017 K C -0.283 176.270 176.600 -0.077 0.000 1.044 1017 K CA 0.309 56.593 56.287 -0.005 0.000 0.973 1017 K CB -0.190 32.233 32.500 -0.128 0.000 0.767 1017 K HN 0.362 nan 8.250 nan 0.000 0.475 1018 F N -0.506 119.418 119.950 -0.043 0.000 2.380 1018 F HA 0.398 4.925 4.527 0.001 0.000 0.319 1018 F C 0.703 176.510 175.800 0.011 0.000 1.113 1018 F CA -0.934 57.052 58.000 -0.022 0.000 1.056 1018 F CB 1.068 40.050 39.000 -0.031 0.000 1.289 1018 F HN -0.359 nan 8.300 nan 0.000 0.515 1019 S N 0.813 116.643 115.700 0.217 0.000 2.501 1019 S HA 0.582 5.053 4.470 0.001 0.000 0.301 1019 S C -2.545 172.131 174.600 0.127 0.000 1.096 1019 S CA -1.537 56.745 58.200 0.137 0.000 1.063 1019 S CB 1.094 64.349 63.200 0.092 0.000 1.042 1019 S HN 0.200 nan 8.310 nan 0.000 0.494 1020 P HA 0.089 nan 4.420 nan 0.000 0.267 1020 P C -1.201 176.156 177.300 0.095 0.000 1.201 1020 P CA -0.088 63.058 63.100 0.078 0.000 0.775 1020 P CB 0.334 32.075 31.700 0.067 0.000 0.854 1021 S N 1.266 117.034 115.700 0.113 0.000 2.667 1021 S HA 0.526 4.996 4.470 0.001 0.000 0.304 1021 S C -2.790 171.904 174.600 0.157 0.000 1.135 1021 S CA -1.773 56.509 58.200 0.136 0.000 1.125 1021 S CB 0.713 64.013 63.200 0.167 0.000 0.996 1021 S HN 0.114 nan 8.310 nan 0.000 0.474 1022 P HA 0.300 nan 4.420 nan 0.000 0.268 1022 P C -0.973 176.373 177.300 0.077 0.000 1.204 1022 P CA -0.389 62.781 63.100 0.117 0.000 0.768 1022 P CB 0.356 32.109 31.700 0.087 0.000 0.842 1023 L N 1.870 123.121 121.223 0.046 0.000 2.343 1023 L HA 0.406 4.747 4.340 0.001 0.000 0.275 1023 L C 0.978 177.860 176.870 0.019 0.000 1.056 1023 L CA -0.004 54.749 54.840 -0.145 0.000 0.804 1023 L CB 1.037 42.683 42.059 -0.689 0.000 1.203 1023 L HN 0.296 nan 8.230 nan 0.000 0.440 1024 S N 1.264 116.961 115.700 -0.006 0.000 2.603 1024 S HA 0.152 4.622 4.470 0.001 0.000 0.268 1024 S C 1.224 175.962 174.600 0.230 0.000 1.317 1024 S CA -0.439 57.828 58.200 0.110 0.000 1.012 1024 S CB 0.523 63.746 63.200 0.039 0.000 0.926 1024 S HN 0.668 nan 8.310 nan 0.000 0.539 1025 M N 2.986 122.724 119.600 0.229 0.000 2.279 1025 M HA 0.005 4.485 4.480 0.001 0.000 0.264 1025 M C 1.510 177.906 176.300 0.160 0.000 1.062 1025 M CA 1.783 57.197 55.300 0.190 0.000 1.099 1025 M CB -0.215 32.338 32.600 -0.077 0.000 1.394 1025 M HN 0.677 nan 8.290 nan 0.000 0.426 1026 K N -0.819 119.630 120.400 0.082 0.000 2.418 1026 K HA -0.025 4.296 4.320 0.001 0.000 0.195 1026 K C 1.720 178.324 176.600 0.007 0.000 1.035 1026 K CA 0.704 57.013 56.287 0.036 0.000 1.003 1026 K CB 0.051 32.554 32.500 0.005 0.000 0.793 1026 K HN 0.564 nan 8.250 nan 0.000 0.494 1027 Q N -0.669 119.118 119.800 -0.022 0.000 2.339 1027 Q HA 0.037 4.377 4.340 0.001 0.000 0.205 1027 Q C 1.312 177.256 176.000 -0.093 0.000 0.925 1027 Q CA 0.657 56.370 55.803 -0.151 0.000 0.898 1027 Q CB 0.162 28.744 28.738 -0.260 0.000 1.013 1027 Q HN 0.208 nan 8.270 nan 0.000 0.504 1028 F N 0.403 120.413 119.950 0.100 0.000 2.163 1028 F HA -0.115 4.412 4.527 0.000 0.000 0.297 1028 F C 1.764 177.653 175.800 0.149 0.000 1.094 1028 F CA 0.707 58.816 58.000 0.182 0.000 1.290 1028 F CB -0.115 38.971 39.000 0.143 0.000 1.017 1028 F HN 0.024 nan 8.300 nan 0.000 0.483 1029 L N -0.242 121.126 121.223 0.241 0.000 2.275 1029 L HA -0.164 4.177 4.340 0.001 0.000 0.215 1029 L C 1.467 178.383 176.870 0.077 0.000 1.119 1029 L CA 1.421 56.337 54.840 0.127 0.000 0.790 1029 L CB -1.024 41.073 42.059 0.064 0.000 0.919 1029 L HN -0.015 nan 8.230 nan 0.000 0.443 1030 D N -1.417 118.994 120.400 0.019 0.000 2.378 1030 D HA -0.100 4.540 4.640 0.001 0.000 0.227 1030 D C 1.161 177.364 176.300 -0.160 0.000 1.012 1030 D CA 0.671 54.606 54.000 -0.109 0.000 0.905 1030 D CB -0.058 40.610 40.800 -0.221 0.000 0.895 1030 D HN 0.248 nan 8.370 nan 0.000 0.532 1031 F N 0.025 119.996 119.950 0.034 0.000 2.713 1031 F HA 0.283 4.810 4.527 0.000 0.000 0.294 1031 F C 1.628 177.425 175.800 -0.005 0.000 1.152 1031 F CA -0.310 57.729 58.000 0.065 0.000 1.385 1031 F CB 0.003 39.079 39.000 0.128 0.000 0.981 1031 F HN -0.105 nan 8.300 nan 0.000 0.514 1037 C N -1.230 118.204 119.300 0.223 0.000 2.857 1037 C HA 0.840 5.300 4.460 0.001 0.000 0.397 1037 C C 1.397 176.529 174.990 0.236 0.000 1.558 1037 C CA 0.668 59.867 59.018 0.302 0.000 1.694 1037 C CB 0.952 28.779 27.740 0.145 0.000 2.120 1037 C HN 0.979 nan 8.230 nan 0.000 0.475 1038 E N 0.681 120.827 120.200 -0.091 0.000 2.046 1038 E HA -0.117 4.233 4.350 0.001 0.000 0.190 1038 E C 1.968 178.428 176.600 -0.233 0.000 0.982 1038 E CA 1.146 57.077 56.400 -0.782 0.000 0.800 1038 E CB -0.078 29.186 29.700 -0.727 0.000 0.756 1038 E HN 0.644 nan 8.360 nan 0.000 0.449 1039 K N 0.146 120.528 120.400 -0.030 0.000 2.089 1039 K HA -0.197 4.124 4.320 0.001 0.000 0.210 1039 K C 2.372 179.051 176.600 0.132 0.000 1.048 1039 K CA 2.002 58.349 56.287 0.101 0.000 0.926 1039 K CB -0.597 31.953 32.500 0.083 0.000 0.714 1039 K HN 0.332 nan 8.250 nan 0.000 0.448 1040 T N -0.789 113.849 114.554 0.140 0.000 2.708 1040 T HA -0.157 4.194 4.350 0.001 0.000 0.266 1040 T C 2.283 177.154 174.700 0.284 0.000 1.037 1040 T CA 1.675 63.893 62.100 0.196 0.000 1.146 1040 T CB -0.480 68.499 68.868 0.186 0.000 0.865 1040 T HN 0.072 nan 8.240 nan 0.000 0.435 1041 S N 0.957 116.828 115.700 0.285 0.000 2.359 1041 S HA -0.096 4.374 4.470 0.001 0.000 0.222 1041 S C 1.546 176.262 174.600 0.192 0.000 1.038 1041 S CA 1.558 59.849 58.200 0.152 0.000 1.051 1041 S CB -0.827 62.212 63.200 -0.269 0.000 0.944 1041 S HN 0.575 nan 8.310 nan 0.000 0.433 1042 F N 2.308 122.211 119.950 -0.079 0.000 2.115 1042 F HA -0.173 4.355 4.527 0.001 0.000 0.300 1042 F C 2.232 177.776 175.800 -0.427 0.000 1.092 1042 F CA 2.234 59.918 58.000 -0.526 0.000 1.245 1042 F CB -1.177 37.503 39.000 -0.533 0.000 0.995 1042 F HN 0.182 nan 8.300 nan 0.000 0.481 1043 T N 0.238 114.507 114.554 -0.475 0.000 2.995 1043 T HA -0.119 4.232 4.350 0.001 0.000 0.269 1043 T C 1.524 176.080 174.700 -0.240 0.000 1.091 1043 T CA 1.298 63.090 62.100 -0.513 0.000 1.128 1043 T CB -0.607 68.138 68.868 -0.205 0.000 0.891 1043 T HN 0.483 nan 8.240 nan 0.000 0.492 1044 F N 0.936 120.768 119.950 -0.197 0.000 2.317 1044 F HA 0.246 4.774 4.527 0.001 0.000 0.290 1044 F C 1.599 177.342 175.800 -0.096 0.000 1.075 1044 F CA 0.248 58.194 58.000 -0.090 0.000 1.380 1044 F CB -0.262 38.758 39.000 0.034 0.000 1.093 1044 F HN -0.092 nan 8.300 nan 0.000 0.524 1045 L N 2.066 123.216 121.223 -0.121 0.000 2.056 1045 L HA -0.112 4.228 4.340 0.001 0.000 0.207 1045 L C 2.642 179.395 176.870 -0.196 0.000 1.078 1045 L CA 1.919 56.665 54.840 -0.156 0.000 0.749 1045 L CB -1.301 40.892 42.059 0.223 0.000 0.901 1045 L HN 0.315 nan 8.230 nan 0.000 0.433 1046 R N -1.014 119.304 120.500 -0.303 0.000 2.328 1046 R HA -0.156 4.184 4.340 0.001 0.000 0.207 1046 R C 1.811 177.941 176.300 -0.284 0.000 1.056 1046 R CA 0.992 56.931 56.100 -0.268 0.000 1.016 1046 R CB -0.170 29.834 30.300 -0.493 0.000 0.872 1046 R HN 0.311 nan 8.270 nan 0.000 0.471 1047 Q N 0.821 120.425 119.800 -0.327 0.000 2.387 1047 Q HA -0.000 4.340 4.340 0.001 0.000 0.212 1047 Q C 1.648 177.429 176.000 -0.366 0.000 0.925 1047 Q CA 0.920 56.552 55.803 -0.285 0.000 0.901 1047 Q CB 0.313 28.915 28.738 -0.228 0.000 1.020 1047 Q HN 0.253 nan 8.270 nan 0.000 0.545 1048 E N 0.213 120.109 120.200 -0.507 0.000 2.046 1048 E HA -0.060 4.290 4.350 0.001 0.000 0.190 1048 E C 1.801 178.186 176.600 -0.358 0.000 0.982 1048 E CA 1.206 57.294 56.400 -0.520 0.000 0.800 1048 E CB -0.367 28.731 29.700 -1.004 0.000 0.756 1048 E HN 0.428 nan 8.360 nan 0.000 0.449 1049 L N 0.490 121.509 121.223 -0.341 0.000 1.989 1049 L HA -0.158 4.183 4.340 0.001 0.000 0.211 1049 L C -0.583 176.112 176.870 -0.291 0.000 1.071 1049 L CA 1.753 56.433 54.840 -0.268 0.000 0.749 1049 L CB -1.452 40.464 42.059 -0.238 0.000 0.890 1049 L HN 0.222 nan 8.230 nan 0.000 0.431 1050 P HA -0.122 nan 4.420 nan 0.000 0.218 1050 P C 1.920 178.976 177.300 -0.407 0.000 1.149 1050 P CA 1.020 63.773 63.100 -0.578 0.000 0.817 1050 P CB 0.078 31.041 31.700 -1.228 0.000 0.785 1051 V N 0.015 119.752 119.914 -0.295 0.000 2.295 1051 V HA -0.242 3.878 4.120 0.001 0.000 0.246 1051 V C 2.450 178.535 176.094 -0.014 0.000 1.049 1051 V CA 1.886 64.147 62.300 -0.065 0.000 1.024 1051 V CB -0.915 30.869 31.823 -0.066 0.000 0.648 1051 V HN 0.077 nan 8.190 nan 0.000 0.447 1052 R N -0.682 119.781 120.500 -0.062 0.000 2.090 1052 R HA -0.031 4.309 4.340 0.001 0.000 0.228 1052 R C 2.251 178.558 176.300 0.012 0.000 1.110 1052 R CA 1.077 57.164 56.100 -0.023 0.000 0.973 1052 R CB -0.368 29.901 30.300 -0.052 0.000 0.869 1052 R HN 0.391 nan 8.270 nan 0.000 0.440 1053 L N 0.284 121.498 121.223 -0.014 0.000 1.961 1053 L HA -0.174 4.166 4.340 0.001 0.000 0.210 1053 L C 2.662 179.616 176.870 0.140 0.000 1.072 1053 L CA 1.557 56.445 54.840 0.080 0.000 0.749 1053 L CB -0.620 41.437 42.059 -0.005 0.000 0.889 1053 L HN 0.215 nan 8.230 nan 0.000 0.432 1054 A N -0.218 122.663 122.820 0.102 0.000 1.986 1054 A HA -0.277 4.044 4.320 0.001 0.000 0.220 1054 A C 1.975 179.651 177.584 0.153 0.000 1.171 1054 A CA 2.437 54.570 52.037 0.161 0.000 0.640 1054 A CB -0.949 18.185 19.000 0.224 0.000 0.811 1054 A HN 0.553 nan 8.150 nan 0.000 0.451 1055 N N -0.909 117.868 118.700 0.129 0.000 2.106 1055 N HA -0.094 4.647 4.740 0.001 0.000 0.188 1055 N C 1.516 177.093 175.510 0.113 0.000 1.029 1055 N CA 1.433 54.552 53.050 0.116 0.000 0.848 1055 N CB -0.181 38.361 38.487 0.092 0.000 1.007 1055 N HN 0.426 nan 8.380 nan 0.000 0.423 1056 I N 0.464 121.104 120.570 0.116 0.000 2.500 1056 I HA 0.016 4.187 4.170 0.001 0.000 0.252 1056 I C 1.603 177.819 176.117 0.164 0.000 1.142 1056 I CA 0.985 62.362 61.300 0.129 0.000 1.451 1056 I CB -0.148 37.912 38.000 0.099 0.000 1.093 1056 I HN 0.184 nan 8.210 nan 0.000 0.430 1057 M N -0.352 119.343 119.600 0.158 0.000 2.229 1057 M HA -0.192 4.289 4.480 0.001 0.000 0.264 1057 M C 2.086 178.443 176.300 0.096 0.000 1.063 1057 M CA 1.365 56.737 55.300 0.121 0.000 1.114 1057 M CB -0.315 32.383 32.600 0.163 0.000 1.387 1057 M HN 0.028 nan 8.290 nan 0.000 0.420 1058 K N 0.372 120.838 120.400 0.110 0.000 2.442 1058 K HA -0.125 4.196 4.320 0.001 0.000 0.198 1058 K C 1.131 177.779 176.600 0.080 0.000 1.042 1058 K CA 1.005 57.346 56.287 0.089 0.000 0.958 1058 K CB 0.213 32.773 32.500 0.099 0.000 0.766 1058 K HN 0.426 nan 8.250 nan 0.000 0.474 1059 E N -0.260 120.009 120.200 0.115 0.000 2.340 1059 E HA 0.053 4.403 4.350 0.001 0.000 0.198 1059 E C 1.662 178.297 176.600 0.060 0.000 0.961 1059 E CA -0.020 56.466 56.400 0.142 0.000 0.905 1059 E CB 0.242 30.084 29.700 0.236 0.000 0.884 1059 E HN 0.226 nan 8.360 nan 0.000 0.491 1060 I N 2.174 122.776 120.570 0.054 0.000 2.315 1060 I HA -0.289 3.882 4.170 0.001 0.000 0.251 1060 I C 1.574 177.536 176.117 -0.257 0.000 1.125 1060 I CA 0.947 62.121 61.300 -0.210 0.000 1.392 1060 I CB -0.184 37.734 38.000 -0.136 0.000 1.065 1060 I HN 0.104 nan 8.210 nan 0.000 0.424 1061 N N 0.209 118.837 118.700 -0.120 0.000 2.412 1061 N HA -0.003 4.737 4.740 0.001 0.000 0.184 1061 N C 1.506 176.954 175.510 -0.102 0.000 1.101 1061 N CA 0.559 53.544 53.050 -0.109 0.000 0.881 1061 N CB 0.165 38.620 38.487 -0.053 0.000 0.969 1061 N HN 0.231 nan 8.380 nan 0.000 0.459 1062 L N 0.594 121.761 121.223 -0.093 0.000 2.478 1062 L HA 0.118 4.459 4.340 0.001 0.000 0.223 1062 L C 0.616 177.419 176.870 -0.113 0.000 1.140 1062 L CA 0.299 55.105 54.840 -0.056 0.000 0.842 1062 L CB -0.529 41.542 42.059 0.020 0.000 0.953 1062 L HN 0.076 nan 8.230 nan 0.000 0.452 1063 L N 0.197 121.271 121.223 -0.248 0.000 2.492 1063 L HA 0.092 4.433 4.340 0.001 0.000 0.280 1063 L C -1.764 175.003 176.870 -0.171 0.000 1.240 1063 L CA -0.901 53.757 54.840 -0.304 0.000 0.831 1063 L CB -0.408 41.354 42.059 -0.495 0.000 1.100 1063 L HN -0.048 nan 8.230 nan 0.000 0.505 1064 P HA 0.089 nan 4.420 nan 0.000 0.271 1064 P C -0.208 177.037 177.300 -0.093 0.000 1.216 1064 P CA -0.210 62.840 63.100 -0.083 0.000 0.776 1064 P CB 0.452 32.122 31.700 -0.050 0.000 0.881 1065 D N 1.975 122.332 120.400 -0.072 0.000 2.203 1065 D HA -0.188 4.452 4.640 0.001 0.000 0.199 1065 D C 1.828 178.087 176.300 -0.070 0.000 0.997 1065 D CA 1.285 55.243 54.000 -0.070 0.000 0.863 1065 D CB -0.061 40.707 40.800 -0.053 0.000 0.928 1065 D HN 0.304 nan 8.370 nan 0.000 0.458 1066 R N 0.234 120.698 120.500 -0.060 0.000 2.070 1066 R HA -0.065 4.275 4.340 0.001 0.000 0.233 1066 R C 2.322 178.586 176.300 -0.061 0.000 1.137 1066 R CA 0.639 56.706 56.100 -0.055 0.000 0.945 1066 R CB -1.064 29.211 30.300 -0.041 0.000 0.845 1066 R HN 0.233 nan 8.270 nan 0.000 0.430 1067 V N 0.750 120.621 119.914 -0.072 0.000 2.992 1067 V HA 0.016 4.137 4.120 0.001 0.000 0.250 1067 V C 2.135 178.147 176.094 -0.137 0.000 1.090 1067 V CA 0.623 62.872 62.300 -0.085 0.000 1.101 1067 V CB -0.097 31.675 31.823 -0.085 0.000 0.743 1067 V HN 0.201 nan 8.190 nan 0.000 0.468 1068 L N 0.794 121.920 121.223 -0.162 0.000 2.093 1068 L HA -0.083 4.258 4.340 0.001 0.000 0.208 1068 L C 2.400 179.182 176.870 -0.148 0.000 1.085 1068 L CA 1.916 56.643 54.840 -0.189 0.000 0.755 1068 L CB -0.174 41.775 42.059 -0.183 0.000 0.904 1068 L HN 0.614 nan 8.230 nan 0.000 0.435 1069 S N -2.075 113.557 115.700 -0.114 0.000 2.720 1069 S HA 0.016 4.487 4.470 0.001 0.000 0.222 1069 S C 0.687 175.235 174.600 -0.087 0.000 0.958 1069 S CA -0.236 57.908 58.200 -0.092 0.000 0.943 1069 S CB -0.779 62.377 63.200 -0.073 0.000 0.779 1069 S HN 0.257 nan 8.310 nan 0.000 0.526 1070 T N 4.164 118.659 114.554 -0.100 0.000 2.856 1070 T HA 0.299 4.649 4.350 0.001 0.000 0.292 1070 T C -1.824 172.812 174.700 -0.107 0.000 0.980 1070 T CA -1.358 60.689 62.100 -0.088 0.000 1.091 1070 T CB 1.406 70.228 68.868 -0.078 0.000 0.936 1070 T HN -0.007 nan 8.240 nan 0.000 0.503 1071 P HA -0.079 nan 4.420 nan 0.000 0.218 1071 P C 1.564 178.776 177.300 -0.147 0.000 1.148 1071 P CA 0.887 63.924 63.100 -0.106 0.000 0.822 1071 P CB 0.148 31.805 31.700 -0.073 0.000 0.784 1072 S N -0.926 114.698 115.700 -0.127 0.000 2.368 1072 S HA -0.099 4.372 4.470 0.001 0.000 0.225 1072 S C 1.962 176.423 174.600 -0.231 0.000 1.030 1072 S CA 1.173 59.281 58.200 -0.153 0.000 0.999 1072 S CB -1.098 62.053 63.200 -0.082 0.000 0.844 1072 S HN -0.038 nan 8.310 nan 0.000 0.459 1073 V N 1.797 121.585 119.914 -0.209 0.000 2.244 1073 V HA -0.202 3.918 4.120 0.001 0.000 0.244 1073 V C 2.373 178.301 176.094 -0.277 0.000 1.042 1073 V CA 1.706 63.852 62.300 -0.257 0.000 1.006 1073 V CB -0.821 30.857 31.823 -0.241 0.000 0.641 1073 V HN 0.461 nan 8.190 nan 0.000 0.446 1074 Q N -0.551 119.113 119.800 -0.227 0.000 2.234 1074 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 1074 Q C 2.155 177.990 176.000 -0.275 0.000 0.980 1074 Q CA 1.613 57.291 55.803 -0.208 0.000 0.869 1074 Q CB -0.340 28.306 28.738 -0.153 0.000 0.912 1074 Q HN 0.520 nan 8.270 nan 0.000 0.436 1075 L N -0.213 120.792 121.223 -0.364 0.000 2.056 1075 L HA -0.115 4.225 4.340 0.001 0.000 0.207 1075 L C 1.997 178.255 176.870 -1.020 0.000 1.078 1075 L CA 1.403 55.888 54.840 -0.591 0.000 0.749 1075 L CB -0.426 41.305 42.059 -0.547 0.000 0.901 1075 L HN -0.007 nan 8.230 nan 0.000 0.433 1076 V N -0.163 119.266 119.914 -0.807 0.000 2.407 1076 V HA -0.326 3.795 4.120 0.001 0.000 0.248 1076 V C 2.599 178.588 176.094 -0.176 0.000 1.055 1076 V CA 2.022 63.980 62.300 -0.569 0.000 1.049 1076 V CB -0.739 30.939 31.823 -0.242 0.000 0.662 1076 V HN 0.662 nan 8.190 nan 0.000 0.455 1077 Q N 0.004 119.676 119.800 -0.213 0.000 2.084 1077 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 1077 Q C 2.472 178.505 176.000 0.055 0.000 0.978 1077 Q CA 2.017 57.778 55.803 -0.070 0.000 0.844 1077 Q CB -0.244 28.422 28.738 -0.119 0.000 0.898 1077 Q HN 0.639 nan 8.270 nan 0.000 0.426 1078 S N -0.475 115.189 115.700 -0.060 0.000 2.383 1078 S HA -0.163 4.308 4.470 0.001 0.000 0.229 1078 S C 1.459 176.184 174.600 0.209 0.000 1.030 1078 S CA 1.227 59.439 58.200 0.020 0.000 1.002 1078 S CB -0.453 62.698 63.200 -0.081 0.000 0.829 1078 S HN 0.600 nan 8.310 nan 0.000 0.467 1079 W N 0.752 122.116 121.300 0.107 0.000 2.354 1079 W HA 0.023 4.684 4.660 0.001 0.000 0.315 1079 W C 2.236 178.892 176.519 0.228 0.000 1.206 1079 W CA 0.496 57.893 57.345 0.087 0.000 1.290 1079 W CB -1.738 27.654 29.460 -0.114 0.000 1.152 1079 W HN 0.398 nan 8.180 nan 0.000 0.489 1080 Y N 0.112 120.640 120.300 0.380 0.000 2.181 1080 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 1080 Y C 2.583 178.598 175.900 0.192 0.000 1.146 1080 Y CA 1.496 59.778 58.100 0.302 0.000 1.164 1080 Y CB -1.373 37.239 38.460 0.253 0.000 0.982 1080 Y HN -0.317 nan 8.280 nan 0.000 0.515 1081 V N -0.264 119.840 119.914 0.316 0.000 2.252 1081 V HA -0.343 3.778 4.120 0.001 0.000 0.249 1081 V C 2.380 178.580 176.094 0.178 0.000 1.056 1081 V CA 2.249 64.677 62.300 0.213 0.000 1.022 1081 V CB -0.674 31.249 31.823 0.167 0.000 0.641 1081 V HN 0.291 nan 8.190 nan 0.000 0.445 1082 Q N 0.117 120.030 119.800 0.188 0.000 2.084 1082 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 1082 Q C 2.414 178.477 176.000 0.104 0.000 0.978 1082 Q CA 2.157 58.048 55.803 0.147 0.000 0.844 1082 Q CB -0.533 28.304 28.738 0.165 0.000 0.898 1082 Q HN 0.656 nan 8.270 nan 0.000 0.426 1083 S N 0.234 115.996 115.700 0.104 0.000 2.356 1083 S HA -0.138 4.332 4.470 0.001 0.000 0.223 1083 S C 1.685 176.263 174.600 -0.037 0.000 1.032 1083 S CA 1.094 59.290 58.200 -0.006 0.000 1.005 1083 S CB -0.494 62.641 63.200 -0.109 0.000 0.867 1083 S HN 0.406 nan 8.310 nan 0.000 0.449 1084 L N 2.026 123.250 121.223 0.000 0.000 2.012 1084 L HA -0.062 4.278 4.340 0.001 0.000 0.210 1084 L C 1.925 178.791 176.870 -0.008 0.000 1.073 1084 L CA 1.699 56.525 54.840 -0.024 0.000 0.748 1084 L CB -0.702 41.386 42.059 0.048 0.000 0.891 1084 L HN 0.295 nan 8.230 nan 0.000 0.431 1085 L N -0.936 120.319 121.223 0.054 0.000 2.093 1085 L HA -0.159 4.182 4.340 0.001 0.000 0.208 1085 L C 2.212 179.113 176.870 0.051 0.000 1.085 1085 L CA 0.966 55.840 54.840 0.057 0.000 0.755 1085 L CB -0.894 41.227 42.059 0.102 0.000 0.904 1085 L HN 0.254 nan 8.230 nan 0.000 0.435 1086 D N 0.632 121.069 120.400 0.060 0.000 2.097 1086 D HA -0.167 4.474 4.640 0.001 0.000 0.195 1086 D C 2.274 178.700 176.300 0.210 0.000 0.989 1086 D CA 1.409 55.470 54.000 0.103 0.000 0.827 1086 D CB -0.135 40.700 40.800 0.057 0.000 0.966 1086 D HN 0.306 nan 8.370 nan 0.000 0.456 1087 I N 0.359 120.989 120.570 0.099 0.000 2.315 1087 I HA -0.186 3.984 4.170 0.001 0.000 0.248 1087 I C 2.420 178.690 176.117 0.256 0.000 1.117 1087 I CA 0.642 62.027 61.300 0.142 0.000 1.404 1087 I CB -0.181 37.775 38.000 -0.072 0.000 1.071 1087 I HN -0.044 nan 8.210 nan 0.000 0.419 1088 M N 0.102 119.747 119.600 0.074 0.000 2.358 1088 M HA -0.177 4.303 4.480 0.001 0.000 0.264 1088 M C 1.960 178.295 176.300 0.059 0.000 1.064 1088 M CA 1.363 56.663 55.300 0.001 0.000 1.093 1088 M CB -0.390 32.132 32.600 -0.130 0.000 1.401 1088 M HN 0.211 nan 8.290 nan 0.000 0.440 1089 E N 0.053 120.307 120.200 0.089 0.000 2.204 1089 E HA -0.137 4.213 4.350 0.001 0.000 0.195 1089 E C 1.305 177.849 176.600 -0.093 0.000 0.990 1089 E CA 1.193 57.557 56.400 -0.061 0.000 0.821 1089 E CB -0.246 29.333 29.700 -0.202 0.000 0.750 1089 E HN 0.519 nan 8.360 nan 0.000 0.477 1090 F N 0.191 120.207 119.950 0.110 0.000 2.773 1090 F HA 0.140 4.667 4.527 0.001 0.000 0.304 1090 F C 1.884 177.747 175.800 0.105 0.000 1.129 1090 F CA 0.017 58.132 58.000 0.191 0.000 1.378 1090 F CB -0.300 38.944 39.000 0.405 0.000 1.095 1090 F HN -0.092 nan 8.300 nan 0.000 0.565 1091 L N 0.338 121.659 121.223 0.165 0.000 2.376 1091 L HA -0.123 4.218 4.340 0.001 0.000 0.219 1091 L C 0.809 177.713 176.870 0.058 0.000 1.133 1091 L CA 1.073 55.957 54.840 0.073 0.000 0.816 1091 L CB -0.238 41.859 42.059 0.063 0.000 0.933 1091 L HN 0.182 nan 8.230 nan 0.000 0.449 1092 D N -2.396 118.044 120.400 0.066 0.000 2.740 1092 D HA 0.123 4.763 4.640 0.001 0.000 0.301 1092 D C 0.009 176.345 176.300 0.059 0.000 1.408 1092 D CA -0.316 53.713 54.000 0.048 0.000 0.808 1092 D CB 0.113 40.926 40.800 0.021 0.000 1.128 1092 D HN -0.029 nan 8.370 nan 0.000 0.465 1093 K N 0.192 120.664 120.400 0.121 0.000 2.156 1093 K HA 0.301 4.621 4.320 0.001 0.000 0.254 1093 K C -0.760 175.932 176.600 0.153 0.000 0.950 1093 K CA -0.957 55.391 56.287 0.102 0.000 0.849 1093 K CB 1.530 34.067 32.500 0.062 0.000 1.100 1093 K HN -0.108 nan 8.250 nan 0.000 0.434 1094 D N 3.275 123.715 120.400 0.068 0.000 2.356 1094 D HA 0.021 4.662 4.640 0.001 0.000 0.272 1094 D C -1.758 174.575 176.300 0.056 0.000 1.337 1094 D CA -1.640 52.394 54.000 0.056 0.000 0.970 1094 D CB 0.886 41.689 40.800 0.004 0.000 1.092 1094 D HN 0.140 nan 8.370 nan 0.000 0.516 1095 P HA -0.156 nan 4.420 nan 0.000 0.217 1095 P C 0.636 177.939 177.300 0.006 0.000 1.148 1095 P CA 0.924 64.166 63.100 0.237 0.000 0.828 1095 P CB 0.210 32.113 31.700 0.337 0.000 0.783 1096 E N -0.681 119.515 120.200 -0.008 0.000 2.512 1096 E HA -0.035 4.315 4.350 0.001 0.000 0.195 1096 E C 0.137 176.650 176.600 -0.144 0.000 1.083 1096 E CA 0.570 56.931 56.400 -0.066 0.000 0.873 1096 E CB -0.592 29.080 29.700 -0.046 0.000 0.897 1096 E HN 0.306 nan 8.360 nan 0.000 0.514 1097 D N -0.703 119.616 120.400 -0.135 0.000 2.256 1097 D HA 0.098 4.738 4.640 0.001 0.000 0.240 1097 D C 0.755 176.990 176.300 -0.110 0.000 1.062 1097 D CA -0.521 53.395 54.000 -0.139 0.000 0.832 1097 D CB 0.735 41.490 40.800 -0.076 0.000 1.135 1097 D HN -0.050 nan 8.370 nan 0.000 0.484 1098 H N 2.316 121.357 119.070 -0.047 0.000 2.353 1098 H HA -0.086 4.471 4.556 0.001 0.000 0.298 1098 H C 1.756 177.058 175.328 -0.043 0.000 1.103 1098 H CA 1.317 57.342 56.048 -0.039 0.000 1.293 1098 H CB 0.609 30.360 29.762 -0.017 0.000 1.372 1098 H HN 0.234 nan 8.280 nan 0.000 0.501 1099 R N -0.532 120.027 120.500 0.099 0.000 2.075 1099 R HA -0.104 4.237 4.340 0.001 0.000 0.232 1099 R C 2.479 178.790 176.300 0.017 0.000 1.126 1099 R CA 1.419 57.547 56.100 0.047 0.000 0.963 1099 R CB -0.772 29.545 30.300 0.029 0.000 0.858 1099 R HN 0.277 nan 8.270 nan 0.000 0.435 1100 T N 1.638 116.166 114.554 -0.044 0.000 2.720 1100 T HA -0.082 4.269 4.350 0.001 0.000 0.268 1100 T C 1.908 176.506 174.700 -0.170 0.000 1.037 1100 T CA 0.929 62.971 62.100 -0.097 0.000 1.144 1100 T CB -0.006 68.731 68.868 -0.218 0.000 0.864 1100 T HN 0.033 nan 8.240 nan 0.000 0.444 1101 L N 1.189 122.268 121.223 -0.240 0.000 2.005 1101 L HA -0.037 4.303 4.340 0.001 0.000 0.207 1101 L C 2.877 179.765 176.870 0.030 0.000 1.072 1101 L CA 2.180 56.899 54.840 -0.202 0.000 0.744 1101 L CB -1.351 40.635 42.059 -0.122 0.000 0.895 1101 L HN 0.449 nan 8.230 nan 0.000 0.433 1102 S N -1.483 114.252 115.700 0.059 0.000 2.515 1102 S HA -0.172 4.298 4.470 0.001 0.000 0.231 1102 S C 1.742 176.403 174.600 0.102 0.000 0.987 1102 S CA 0.589 58.841 58.200 0.086 0.000 0.936 1102 S CB -0.093 63.146 63.200 0.064 0.000 0.766 1102 S HN 0.430 nan 8.310 nan 0.000 0.528 1103 Q N -0.499 119.393 119.800 0.153 0.000 2.163 1103 Q HA 0.166 4.506 4.340 0.001 0.000 0.198 1103 Q C 1.638 177.847 176.000 0.348 0.000 0.954 1103 Q CA 0.792 56.751 55.803 0.260 0.000 0.851 1103 Q CB -0.160 28.754 28.738 0.294 0.000 0.928 1103 Q HN 0.611 nan 8.270 nan 0.000 0.459 1104 F N 0.716 120.672 119.950 0.010 0.000 2.084 1104 F HA -0.196 4.331 4.527 0.000 0.000 0.296 1104 F C 2.151 177.734 175.800 -0.362 0.000 1.111 1104 F CA 1.685 59.342 58.000 -0.572 0.000 1.224 1104 F CB -0.423 38.226 39.000 -0.586 0.000 0.991 1104 F HN -0.048 nan 8.300 nan 0.000 0.471 1105 T N -0.293 114.204 114.554 -0.095 0.000 2.833 1105 T HA -0.183 4.168 4.350 0.001 0.000 0.269 1105 T C 1.354 175.991 174.700 -0.104 0.000 1.054 1105 T CA 1.652 63.696 62.100 -0.093 0.000 1.135 1105 T CB -0.442 68.513 68.868 0.145 0.000 0.869 1105 T HN 0.200 nan 8.240 nan 0.000 0.466 1106 D N 1.172 121.548 120.400 -0.040 0.000 2.144 1106 D HA 0.016 4.657 4.640 0.001 0.000 0.199 1106 D C 2.254 178.517 176.300 -0.061 0.000 0.984 1106 D CA 1.133 55.121 54.000 -0.020 0.000 0.834 1106 D CB -0.307 40.515 40.800 0.035 0.000 0.955 1106 D HN 0.409 nan 8.370 nan 0.000 0.465 1107 A N 0.003 122.761 122.820 -0.103 0.000 1.897 1107 A HA -0.043 4.277 4.320 0.001 0.000 0.215 1107 A C 2.198 179.615 177.584 -0.278 0.000 1.181 1107 A CA 0.682 52.632 52.037 -0.145 0.000 0.620 1107 A CB -0.638 18.290 19.000 -0.120 0.000 0.821 1107 A HN 0.206 nan 8.150 nan 0.000 0.443 1108 L N -0.472 120.494 121.223 -0.428 0.000 2.141 1108 L HA -0.131 4.209 4.340 0.001 0.000 0.209 1108 L C 2.394 179.118 176.870 -0.244 0.000 1.094 1108 L CA 0.723 55.314 54.840 -0.415 0.000 0.763 1108 L CB -0.416 41.347 42.059 -0.493 0.000 0.908 1108 L HN 0.235 nan 8.230 nan 0.000 0.437 1109 V N -0.742 119.065 119.914 -0.178 0.000 2.453 1109 V HA -0.225 3.895 4.120 0.001 0.000 0.247 1109 V C 2.505 178.533 176.094 -0.111 0.000 1.048 1109 V CA 2.132 64.361 62.300 -0.117 0.000 1.049 1109 V CB -0.510 31.267 31.823 -0.076 0.000 0.672 1109 V HN 0.464 nan 8.190 nan 0.000 0.457 1110 T N 0.367 114.856 114.554 -0.110 0.000 2.746 1110 T HA -0.108 4.242 4.350 0.001 0.000 0.267 1110 T C 1.836 176.472 174.700 -0.107 0.000 1.039 1110 T CA 1.694 63.739 62.100 -0.092 0.000 1.142 1110 T CB -0.241 68.587 68.868 -0.067 0.000 0.866 1110 T HN 0.330 nan 8.240 nan 0.000 0.444 1111 I N 0.568 121.056 120.570 -0.137 0.000 2.179 1111 I HA -0.145 4.026 4.170 0.001 0.000 0.242 1111 I C 2.851 178.893 176.117 -0.126 0.000 1.088 1111 I CA 1.186 62.399 61.300 -0.145 0.000 1.357 1111 I CB -0.322 37.518 38.000 -0.266 0.000 1.051 1111 I HN 0.098 nan 8.210 nan 0.000 0.409 1112 R N 1.008 121.408 120.500 -0.167 0.000 2.073 1112 R HA -0.183 4.157 4.340 0.001 0.000 0.234 1112 R C 2.024 178.266 176.300 -0.096 0.000 1.134 1112 R CA 1.797 57.813 56.100 -0.139 0.000 0.952 1112 R CB -0.196 30.028 30.300 -0.128 0.000 0.850 1112 R HN 0.374 nan 8.270 nan 0.000 0.433 1113 N N 0.597 119.234 118.700 -0.104 0.000 2.244 1113 N HA -0.170 4.571 4.740 0.001 0.000 0.183 1113 N C 1.733 177.134 175.510 -0.183 0.000 1.016 1113 N CA 0.895 53.876 53.050 -0.115 0.000 0.866 1113 N CB -0.372 38.056 38.487 -0.100 0.000 0.980 1113 N HN 0.305 nan 8.380 nan 0.000 0.430 1114 R N 0.349 120.725 120.500 -0.205 0.000 2.189 1114 R HA -0.032 4.308 4.340 0.001 0.000 0.223 1114 R C 0.663 176.494 176.300 -0.781 0.000 1.092 1114 R CA 1.074 56.900 56.100 -0.457 0.000 0.989 1114 R CB -0.031 30.044 30.300 -0.375 0.000 0.876 1114 R HN 0.414 nan 8.270 nan 0.000 0.457 1115 H N -0.773 118.027 119.070 -0.449 0.000 2.594 1115 H HA 0.156 4.712 4.556 0.000 0.000 0.279 1115 H C 0.782 176.004 175.328 -0.176 0.000 1.042 1115 H CA -0.315 55.547 56.048 -0.311 0.000 1.177 1115 H CB 0.534 30.193 29.762 -0.171 0.000 1.524 1115 H HN 0.264 nan 8.280 nan 0.000 0.537 1116 N N 1.077 119.709 118.700 -0.114 0.000 2.289 1116 N HA -0.110 4.630 4.740 0.001 0.000 0.184 1116 N C 0.252 175.765 175.510 0.004 0.000 1.016 1116 N CA 1.265 54.289 53.050 -0.044 0.000 0.872 1116 N CB 0.128 38.576 38.487 -0.066 0.000 0.973 1116 N HN 0.433 nan 8.380 nan 0.000 0.433 1117 D N -0.773 119.621 120.400 -0.010 0.000 2.368 1117 D HA 0.098 4.738 4.640 0.001 0.000 0.218 1117 D C 1.626 178.089 176.300 0.272 0.000 1.112 1117 D CA -0.123 53.950 54.000 0.122 0.000 0.834 1117 D CB 0.574 41.459 40.800 0.142 0.000 0.953 1117 D HN -0.121 nan 8.370 nan 0.000 0.505 1118 V N 0.140 120.253 119.914 0.331 0.000 2.370 1118 V HA -0.276 3.845 4.120 0.001 0.000 0.252 1118 V C 2.267 178.581 176.094 0.367 0.000 1.068 1118 V CA 1.373 63.965 62.300 0.486 0.000 1.061 1118 V CB -0.296 31.854 31.823 0.544 0.000 0.656 1118 V HN 0.198 nan 8.190 nan 0.000 0.455 1119 V N -0.004 120.081 119.914 0.286 0.000 2.244 1119 V HA -0.117 4.004 4.120 0.001 0.000 0.244 1119 V C 0.086 176.205 176.094 0.040 0.000 1.042 1119 V CA 2.478 64.895 62.300 0.196 0.000 1.006 1119 V CB -1.746 30.066 31.823 -0.019 0.000 0.641 1119 V HN 0.530 nan 8.190 nan 0.000 0.446 1120 P HA -0.069 nan 4.420 nan 0.000 0.220 1120 P C 1.633 179.024 177.300 0.151 0.000 1.148 1120 P CA 1.354 64.537 63.100 0.139 0.000 0.803 1120 P CB -0.169 31.639 31.700 0.180 0.000 0.782 1121 T N -0.825 113.825 114.554 0.161 0.000 2.812 1121 T HA -0.059 4.292 4.350 0.001 0.000 0.264 1121 T C 1.780 176.515 174.700 0.058 0.000 1.042 1121 T CA 1.098 63.271 62.100 0.122 0.000 1.140 1121 T CB -0.568 68.400 68.868 0.166 0.000 0.870 1121 T HN -0.013 nan 8.240 nan 0.000 0.445 1122 M N 1.303 120.948 119.600 0.075 0.000 2.117 1122 M HA 0.001 4.481 4.480 0.001 0.000 0.262 1122 M C 2.824 179.156 176.300 0.053 0.000 1.065 1122 M CA 1.384 56.686 55.300 0.003 0.000 1.114 1122 M CB -1.370 31.227 32.600 -0.005 0.000 1.361 1122 M HN 0.327 nan 8.290 nan 0.000 0.408 1123 A N -0.429 122.457 122.820 0.110 0.000 1.883 1123 A HA -0.234 4.087 4.320 0.001 0.000 0.217 1123 A C 2.095 179.775 177.584 0.159 0.000 1.186 1123 A CA 1.953 54.097 52.037 0.180 0.000 0.624 1123 A CB -0.773 18.399 19.000 0.286 0.000 0.822 1123 A HN 0.468 nan 8.150 nan 0.000 0.444 1124 Q N -0.026 119.852 119.800 0.130 0.000 2.226 1124 Q HA -0.034 4.306 4.340 0.001 0.000 0.204 1124 Q C 1.850 177.888 176.000 0.062 0.000 0.975 1124 Q CA 1.796 57.660 55.803 0.100 0.000 0.866 1124 Q CB -0.925 27.865 28.738 0.086 0.000 0.915 1124 Q HN 0.543 nan 8.270 nan 0.000 0.440 1125 G N -0.396 108.424 108.800 0.033 0.000 2.408 1125 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 1125 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 1125 G C 1.388 176.305 174.900 0.029 0.000 1.150 1125 G CA 1.132 46.230 45.100 -0.004 0.000 0.776 1125 G HN 0.430 nan 8.290 nan 0.000 0.542 1126 V N -1.210 118.742 119.914 0.063 0.000 2.548 1126 V HA 0.026 4.147 4.120 0.001 0.000 0.249 1126 V C 2.561 178.733 176.094 0.129 0.000 1.055 1126 V CA 1.047 63.404 62.300 0.096 0.000 1.065 1126 V CB -0.536 31.359 31.823 0.119 0.000 0.681 1126 V HN 0.124 nan 8.190 nan 0.000 0.462 1127 L N 0.743 122.038 121.223 0.121 0.000 2.081 1127 L HA -0.083 4.257 4.340 0.001 0.000 0.212 1127 L C 1.776 178.723 176.870 0.128 0.000 1.080 1127 L CA 1.585 56.498 54.840 0.122 0.000 0.754 1127 L CB -1.079 41.042 42.059 0.103 0.000 0.893 1127 L HN 0.427 nan 8.230 nan 0.000 0.433 1128 E N -0.254 120.005 120.200 0.098 0.000 2.127 1128 E HA -0.035 4.315 4.350 0.001 0.000 0.295 1128 E C -0.784 175.890 176.600 0.125 0.000 1.155 1128 E CA 0.313 56.758 56.400 0.076 0.000 1.201 1128 E CB -0.710 29.007 29.700 0.029 0.000 1.083 1128 E HN 0.339 nan 8.360 nan 0.000 0.472 1142 N N 0.775 119.549 118.700 0.124 0.000 2.520 1142 N HA -0.047 4.693 4.740 0.001 0.000 0.185 1142 N C 1.120 176.755 175.510 0.208 0.000 1.068 1142 N CA 0.866 54.013 53.050 0.161 0.000 0.911 1142 N CB 0.179 38.739 38.487 0.121 0.000 0.961 1142 N HN 0.461 nan 8.380 nan 0.000 0.446 1143 I N 0.725 121.393 120.570 0.164 0.000 2.121 1143 I HA -0.405 3.766 4.170 0.001 0.000 0.243 1143 I C 2.429 178.693 176.117 0.245 0.000 1.047 1143 I CA 1.506 62.911 61.300 0.175 0.000 1.308 1143 I CB -0.438 37.637 38.000 0.126 0.000 1.015 1143 I HN 0.217 nan 8.210 nan 0.000 0.410 1144 Q N -0.351 119.615 119.800 0.277 0.000 2.142 1144 Q HA -0.313 4.027 4.340 0.001 0.000 0.213 1144 Q C 2.125 178.324 176.000 0.332 0.000 1.004 1144 Q CA 2.409 58.432 55.803 0.367 0.000 0.883 1144 Q CB -0.583 28.349 28.738 0.323 0.000 0.939 1144 Q HN 0.631 nan 8.270 nan 0.000 0.413 1145 Y N -0.447 119.964 120.300 0.184 0.000 2.114 1145 Y HA -0.265 4.288 4.550 0.005 0.000 0.284 1145 Y C 1.921 177.912 175.900 0.152 0.000 1.143 1145 Y CA 1.952 60.144 58.100 0.153 0.000 1.135 1145 Y CB -0.754 37.782 38.460 0.127 0.000 0.980 1145 Y HN 0.299 nan 8.280 nan 0.000 0.499 1146 F N 0.243 120.199 119.950 0.011 0.000 2.069 1146 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 1146 F C 1.920 177.641 175.800 -0.132 0.000 1.113 1146 F CA 2.010 59.939 58.000 -0.118 0.000 1.214 1146 F CB -0.794 38.161 39.000 -0.075 0.000 0.978 1146 F HN 0.059 nan 8.300 nan 0.000 0.474 1147 L N 0.087 121.190 121.223 -0.201 0.000 2.083 1147 L HA -0.225 4.115 4.340 0.001 0.000 0.209 1147 L C 2.296 179.060 176.870 -0.178 0.000 1.083 1147 L CA 1.426 56.018 54.840 -0.413 0.000 0.752 1147 L CB -0.934 40.780 42.059 -0.574 0.000 0.899 1147 L HN 0.124 nan 8.230 nan 0.000 0.433 1148 D N 0.168 120.580 120.400 0.021 0.000 2.104 1148 D HA -0.178 4.463 4.640 0.001 0.000 0.194 1148 D C 2.392 178.651 176.300 -0.069 0.000 0.994 1148 D CA 1.357 55.431 54.000 0.124 0.000 0.830 1148 D CB -0.047 40.833 40.800 0.134 0.000 0.959 1148 D HN 0.272 nan 8.370 nan 0.000 0.452 1149 R N -0.468 119.881 120.500 -0.252 0.000 2.075 1149 R HA -0.088 4.252 4.340 0.001 0.000 0.232 1149 R C 2.325 178.418 176.300 -0.346 0.000 1.126 1149 R CA 0.730 56.654 56.100 -0.293 0.000 0.963 1149 R CB -0.504 29.569 30.300 -0.378 0.000 0.858 1149 R HN 0.173 nan 8.270 nan 0.000 0.435 1150 F N 0.551 120.049 119.950 -0.753 0.000 2.069 1150 F HA -0.266 4.261 4.527 0.000 0.000 0.298 1150 F C 1.683 177.185 175.800 -0.498 0.000 1.113 1150 F CA 1.543 59.041 58.000 -0.836 0.000 1.214 1150 F CB -0.465 37.633 39.000 -1.503 0.000 0.978 1150 F HN -0.027 nan 8.300 nan 0.000 0.474 1151 Y N -0.447 119.607 120.300 -0.411 0.000 2.373 1151 Y HA -0.156 4.394 4.550 0.000 0.000 0.293 1151 Y C 2.517 178.180 175.900 -0.396 0.000 1.129 1151 Y CA 0.679 58.541 58.100 -0.397 0.000 1.226 1151 Y CB -0.181 38.192 38.460 -0.145 0.000 1.000 1151 Y HN 0.180 nan 8.280 nan 0.000 0.549 1152 L N -0.843 120.276 121.223 -0.172 0.000 2.072 1152 L HA -0.194 4.146 4.340 0.001 0.000 0.205 1152 L C 2.597 179.318 176.870 -0.248 0.000 1.079 1152 L CA 1.698 56.422 54.840 -0.192 0.000 0.752 1152 L CB -0.530 41.471 42.059 -0.097 0.000 0.906 1152 L HN 0.254 nan 8.230 nan 0.000 0.436 1153 S N -0.140 115.406 115.700 -0.257 0.000 2.382 1153 S HA -0.271 4.200 4.470 0.001 0.000 0.228 1153 S C 2.163 176.595 174.600 -0.280 0.000 1.027 1153 S CA 1.497 59.562 58.200 -0.225 0.000 0.991 1153 S CB -0.257 62.823 63.200 -0.201 0.000 0.823 1153 S HN 0.490 nan 8.310 nan 0.000 0.469 1154 R N 0.281 120.542 120.500 -0.399 0.000 2.075 1154 R HA 0.044 4.384 4.340 0.001 0.000 0.232 1154 R C 2.242 178.345 176.300 -0.328 0.000 1.126 1154 R CA 1.700 57.581 56.100 -0.363 0.000 0.963 1154 R CB -0.511 29.514 30.300 -0.459 0.000 0.858 1154 R HN 0.526 nan 8.270 nan 0.000 0.435 1155 I N 1.397 121.714 120.570 -0.421 0.000 2.264 1155 I HA -0.304 3.867 4.170 0.001 0.000 0.248 1155 I C 2.584 178.344 176.117 -0.597 0.000 1.111 1155 I CA 1.714 62.677 61.300 -0.562 0.000 1.382 1155 I CB -0.301 37.183 38.000 -0.860 0.000 1.060 1155 I HN 0.367 nan 8.210 nan 0.000 0.418 1156 S N 0.846 116.216 115.700 -0.550 0.000 2.383 1156 S HA -0.109 4.361 4.470 0.001 0.000 0.227 1156 S C 1.995 176.522 174.600 -0.122 0.000 1.026 1156 S CA 0.939 58.943 58.200 -0.326 0.000 0.981 1156 S CB -0.670 62.485 63.200 -0.075 0.000 0.818 1156 S HN 0.415 nan 8.310 nan 0.000 0.472 1157 I N 0.847 121.319 120.570 -0.164 0.000 2.617 1157 I HA 0.094 4.264 4.170 0.001 0.000 0.256 1157 I C 2.892 178.920 176.117 -0.148 0.000 1.167 1157 I CA 0.666 61.879 61.300 -0.145 0.000 1.469 1157 I CB -0.089 37.787 38.000 -0.206 0.000 1.098 1157 I HN 0.199 nan 8.210 nan 0.000 0.436 1158 R N -0.088 120.312 120.500 -0.166 0.000 2.153 1158 R HA -0.032 4.309 4.340 0.001 0.000 0.218 1158 R C 2.199 178.469 176.300 -0.051 0.000 1.072 1158 R CA 0.887 56.914 56.100 -0.122 0.000 0.990 1158 R CB -0.069 30.157 30.300 -0.123 0.000 0.889 1158 R HN 0.144 nan 8.270 nan 0.000 0.452 1159 M N 0.142 119.717 119.600 -0.042 0.000 2.059 1159 M HA -0.138 4.342 4.480 0.001 0.000 0.259 1159 M C 1.867 178.225 176.300 0.097 0.000 1.072 1159 M CA 1.745 57.063 55.300 0.031 0.000 1.117 1159 M CB -0.649 32.000 32.600 0.082 0.000 1.320 1159 M HN 0.211 nan 8.290 nan 0.000 0.408 1160 L N -0.500 120.831 121.223 0.179 0.000 2.012 1160 L HA -0.283 4.058 4.340 0.001 0.000 0.210 1160 L C 2.430 179.382 176.870 0.136 0.000 1.073 1160 L CA 1.403 56.393 54.840 0.250 0.000 0.748 1160 L CB -0.777 41.411 42.059 0.215 0.000 0.891 1160 L HN 0.286 nan 8.230 nan 0.000 0.431 1161 I N -0.038 120.543 120.570 0.018 0.000 2.208 1161 I HA -0.324 3.846 4.170 0.001 0.000 0.245 1161 I C 2.040 178.167 176.117 0.017 0.000 1.097 1161 I CA 1.737 63.014 61.300 -0.038 0.000 1.363 1161 I CB -0.383 37.536 38.000 -0.135 0.000 1.051 1161 I HN 0.340 nan 8.210 nan 0.000 0.413 1162 N N -0.282 118.428 118.700 0.017 0.000 2.244 1162 N HA -0.175 4.565 4.740 0.001 0.000 0.183 1162 N C 1.892 177.426 175.510 0.040 0.000 1.016 1162 N CA 0.601 53.661 53.050 0.016 0.000 0.866 1162 N CB 0.102 38.590 38.487 0.001 0.000 0.980 1162 N HN 0.275 nan 8.380 nan 0.000 0.430 1163 Q N 0.096 119.944 119.800 0.079 0.000 2.020 1163 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 1163 Q C 1.795 177.843 176.000 0.079 0.000 0.982 1163 Q CA 1.531 57.383 55.803 0.083 0.000 0.838 1163 Q CB -0.618 28.239 28.738 0.200 0.000 0.899 1163 Q HN 0.603 nan 8.270 nan 0.000 0.423 1164 H N 0.132 119.272 119.070 0.116 0.000 2.353 1164 H HA -0.094 4.462 4.556 0.001 0.000 0.300 1164 H C 2.038 177.496 175.328 0.217 0.000 1.090 1164 H CA 2.390 58.617 56.048 0.298 0.000 1.327 1164 H CB 0.290 30.189 29.762 0.228 0.000 1.383 1164 H HN 0.381 nan 8.280 nan 0.000 0.508 1165 T N -0.925 113.774 114.554 0.242 0.000 2.777 1165 T HA -0.108 4.242 4.350 0.001 0.000 0.266 1165 T C 2.152 176.886 174.700 0.058 0.000 1.040 1165 T CA 1.274 63.461 62.100 0.146 0.000 1.141 1165 T CB -0.436 68.459 68.868 0.046 0.000 0.868 1165 T HN 0.239 nan 8.240 nan 0.000 0.444 1166 L N 0.167 121.391 121.223 0.002 0.000 2.072 1166 L HA 0.132 4.472 4.340 0.001 0.000 0.205 1166 L C 2.794 179.585 176.870 -0.130 0.000 1.079 1166 L CA 1.103 55.912 54.840 -0.051 0.000 0.752 1166 L CB -0.527 41.505 42.059 -0.046 0.000 0.906 1166 L HN 0.231 nan 8.230 nan 0.000 0.436 1167 I N -0.980 119.439 120.570 -0.252 0.000 2.252 1167 I HA -0.216 3.955 4.170 0.001 0.000 0.245 1167 I C 0.311 176.023 176.117 -0.674 0.000 1.102 1167 I CA 1.269 62.230 61.300 -0.566 0.000 1.385 1167 I CB -0.004 37.427 38.000 -0.948 0.000 1.064 1167 I HN 0.032 nan 8.210 nan 0.000 0.414 1168 F N 2.043 121.923 119.950 -0.116 0.000 2.310 1168 F HA 0.292 4.819 4.527 0.000 0.000 0.365 1168 F C -0.522 175.276 175.800 -0.004 0.000 1.080 1168 F CA -0.948 56.990 58.000 -0.103 0.000 1.187 1168 F CB 0.254 39.071 39.000 -0.305 0.000 1.465 1168 F HN 0.073 nan 8.300 nan 0.000 0.496 1178 K N -0.376 119.986 120.400 -0.064 0.000 2.353 1178 K HA 0.136 4.456 4.320 0.001 0.000 0.195 1178 K C 0.267 176.959 176.600 0.153 0.000 1.031 1178 K CA -0.103 56.221 56.287 0.062 0.000 1.079 1178 K CB -0.023 32.535 32.500 0.096 0.000 0.857 1178 K HN 0.322 nan 8.250 nan 0.000 0.535 1179 H N 1.071 120.124 119.070 -0.029 0.000 2.771 1179 H HA 0.081 4.638 4.556 0.001 0.000 0.364 1179 H C -0.210 175.091 175.328 -0.044 0.000 1.133 1179 H CA -0.770 55.256 56.048 -0.036 0.000 1.423 1179 H CB 0.854 30.588 29.762 -0.046 0.000 1.425 1179 H HN 0.034 nan 8.280 nan 0.000 0.606 1180 I N 3.243 123.861 120.570 0.080 0.000 2.395 1180 I HA 0.131 4.302 4.170 0.001 0.000 0.282 1180 I C 1.254 177.378 176.117 0.011 0.000 1.107 1180 I CA 0.524 61.842 61.300 0.030 0.000 1.210 1180 I CB -0.490 37.533 38.000 0.038 0.000 1.456 1180 I HN 1.057 nan 8.210 nan 0.000 0.504 1181 G N 4.879 113.675 108.800 -0.007 0.000 2.527 1181 G HA2 -0.307 3.653 3.960 0.001 0.000 0.262 1181 G HA3 -0.307 3.653 3.960 0.001 0.000 0.262 1181 G C 0.740 175.640 174.900 0.001 0.000 1.153 1181 G CA 0.324 45.410 45.100 -0.023 0.000 0.954 1181 G HN 0.526 nan 8.290 nan 0.000 0.552 1182 S N 0.012 115.683 115.700 -0.048 0.000 2.593 1182 S HA 0.429 4.900 4.470 0.001 0.000 0.217 1182 S C 1.048 175.554 174.600 -0.156 0.000 0.966 1182 S CA 0.739 58.900 58.200 -0.065 0.000 0.914 1182 S CB 0.029 63.172 63.200 -0.094 0.000 0.776 1182 S HN 0.680 nan 8.310 nan 0.000 0.523 1183 I N 2.902 123.370 120.570 -0.171 0.000 2.352 1183 I HA 0.272 4.443 4.170 0.001 0.000 0.290 1183 I C -0.269 175.683 176.117 -0.275 0.000 1.036 1183 I CA -0.362 60.794 61.300 -0.240 0.000 1.336 1183 I CB 0.711 38.593 38.000 -0.197 0.000 1.407 1183 I HN 0.005 nan 8.210 nan 0.000 0.497 1184 D N 9.022 129.195 120.400 -0.379 0.000 2.329 1184 D HA 0.294 4.934 4.640 0.001 0.000 0.232 1184 D C -1.925 174.276 176.300 -0.164 0.000 1.088 1184 D CA -2.391 51.349 54.000 -0.434 0.000 0.835 1184 D CB 1.976 42.418 40.800 -0.596 0.000 1.078 1184 D HN 0.142 nan 8.370 nan 0.000 0.495 1185 P HA 0.042 nan 4.420 nan 0.000 0.225 1185 P C -0.165 177.149 177.300 0.024 0.000 1.156 1185 P CA 0.545 63.633 63.100 -0.021 0.000 0.787 1185 P CB 0.351 32.051 31.700 0.000 0.000 0.802 1186 N N -0.870 117.862 118.700 0.054 0.000 2.660 1186 N HA 0.076 4.816 4.740 0.001 0.000 0.316 1186 N C -0.810 174.831 175.510 0.219 0.000 1.774 1186 N CA -0.330 52.821 53.050 0.168 0.000 0.946 1186 N CB -0.384 38.189 38.487 0.144 0.000 1.322 1186 N HN 0.033 nan 8.380 nan 0.000 0.492 1187 C N 1.568 120.910 119.300 0.070 0.000 2.624 1187 C HA 0.251 4.711 4.460 0.001 0.000 0.397 1187 C C 1.260 176.131 174.990 -0.199 0.000 1.331 1187 C CA -0.379 58.620 59.018 -0.032 0.000 1.716 1187 C CB -1.201 26.533 27.740 -0.010 0.000 2.452 1187 C HN 0.517 nan 8.230 nan 0.000 0.586 1188 S N 5.515 121.020 115.700 -0.326 0.000 2.411 1188 S HA 0.194 4.664 4.470 0.001 0.000 0.304 1188 S C 1.001 175.470 174.600 -0.218 0.000 1.098 1188 S CA -0.553 57.327 58.200 -0.534 0.000 1.068 1188 S CB 0.653 63.599 63.200 -0.424 0.000 1.032 1188 S HN 0.783 nan 8.310 nan 0.000 0.511 1189 V N 5.422 125.227 119.914 -0.180 0.000 2.250 1189 V HA -0.195 3.925 4.120 0.001 0.000 0.250 1189 V C 2.709 178.783 176.094 -0.033 0.000 1.060 1189 V CA 2.539 64.793 62.300 -0.076 0.000 1.030 1189 V CB -1.297 30.485 31.823 -0.069 0.000 0.643 1189 V HN 0.874 nan 8.190 nan 0.000 0.445 1190 S N -0.410 115.263 115.700 -0.045 0.000 2.370 1190 S HA -0.246 4.224 4.470 0.001 0.000 0.226 1190 S C 1.717 176.328 174.600 0.018 0.000 1.033 1190 S CA 1.781 59.979 58.200 -0.004 0.000 1.011 1190 S CB -0.492 62.702 63.200 -0.009 0.000 0.852 1190 S HN 0.656 nan 8.310 nan 0.000 0.457 1191 D N 0.880 121.278 120.400 -0.005 0.000 2.097 1191 D HA -0.073 4.568 4.640 0.001 0.000 0.195 1191 D C 1.990 178.331 176.300 0.068 0.000 0.989 1191 D CA 0.874 54.888 54.000 0.023 0.000 0.827 1191 D CB -0.488 40.313 40.800 0.002 0.000 0.966 1191 D HN 0.176 nan 8.370 nan 0.000 0.456 1192 V N 0.291 120.250 119.914 0.075 0.000 2.407 1192 V HA -0.206 3.915 4.120 0.001 0.000 0.248 1192 V C 2.534 178.739 176.094 0.186 0.000 1.055 1192 V CA 1.011 63.401 62.300 0.151 0.000 1.049 1192 V CB -0.455 31.459 31.823 0.151 0.000 0.662 1192 V HN 0.089 nan 8.190 nan 0.000 0.455 1193 V N -0.029 119.975 119.914 0.150 0.000 2.332 1193 V HA -0.291 3.829 4.120 0.001 0.000 0.248 1193 V C 2.477 178.690 176.094 0.198 0.000 1.055 1193 V CA 2.348 64.776 62.300 0.214 0.000 1.038 1193 V CB -0.680 31.245 31.823 0.169 0.000 0.651 1193 V HN 0.509 nan 8.190 nan 0.000 0.450 1194 K N 0.491 120.966 120.400 0.125 0.000 2.025 1194 K HA -0.164 4.156 4.320 0.001 0.000 0.207 1194 K C 1.836 178.505 176.600 0.116 0.000 1.049 1194 K CA 1.732 58.080 56.287 0.101 0.000 0.933 1194 K CB -0.562 31.980 32.500 0.071 0.000 0.714 1194 K HN 0.437 nan 8.250 nan 0.000 0.438 1195 D N -0.083 120.401 120.400 0.141 0.000 2.144 1195 D HA -0.138 4.503 4.640 0.001 0.000 0.199 1195 D C 1.659 178.102 176.300 0.238 0.000 0.984 1195 D CA 1.506 55.616 54.000 0.183 0.000 0.834 1195 D CB -0.134 40.791 40.800 0.208 0.000 0.955 1195 D HN 0.361 nan 8.370 nan 0.000 0.465 1196 A N 0.045 122.976 122.820 0.184 0.000 1.968 1196 A HA -0.167 4.154 4.320 0.001 0.000 0.217 1196 A C 2.095 179.588 177.584 -0.151 0.000 1.169 1196 A CA 0.819 52.844 52.037 -0.021 0.000 0.638 1196 A CB -0.777 18.214 19.000 -0.016 0.000 0.812 1196 A HN 0.329 nan 8.150 nan 0.000 0.446 1197 Y N 1.179 121.160 120.300 -0.531 0.000 2.242 1197 Y HA -0.171 4.380 4.550 0.000 0.000 0.291 1197 Y C 1.697 177.323 175.900 -0.457 0.000 1.137 1197 Y CA 1.838 59.282 58.100 -1.094 0.000 1.181 1197 Y CB -0.082 37.737 38.460 -1.067 0.000 0.989 1197 Y HN 0.327 nan 8.280 nan 0.000 0.527 1198 D N -0.175 120.036 120.400 -0.316 0.000 2.103 1198 D HA -0.155 4.485 4.640 0.001 0.000 0.199 1198 D C 2.154 178.346 176.300 -0.179 0.000 0.978 1198 D CA 1.236 55.079 54.000 -0.261 0.000 0.829 1198 D CB -0.199 40.576 40.800 -0.042 0.000 0.981 1198 D HN 0.297 nan 8.370 nan 0.000 0.464 1199 M N 1.326 120.904 119.600 -0.036 0.000 2.443 1199 M HA -0.139 4.341 4.480 0.001 0.000 0.267 1199 M C 2.475 178.835 176.300 0.100 0.000 1.069 1199 M CA 1.245 56.578 55.300 0.055 0.000 1.085 1199 M CB -1.597 31.068 32.600 0.108 0.000 1.243 1199 M HN 0.013 nan 8.290 nan 0.000 0.464 1200 A N 0.077 123.056 122.820 0.264 0.000 1.935 1200 A HA -0.347 3.974 4.320 0.001 0.000 0.224 1200 A C 2.272 179.780 177.584 -0.127 0.000 1.324 1200 A CA 3.036 55.104 52.037 0.052 0.000 0.686 1200 A CB -1.193 17.711 19.000 -0.161 0.000 0.837 1200 A HN 0.625 nan 8.150 nan 0.000 0.481 1201 K N -1.295 118.893 120.400 -0.354 0.000 2.113 1201 K HA -0.190 4.130 4.320 0.001 0.000 0.208 1201 K C 1.876 178.375 176.600 -0.169 0.000 1.047 1201 K CA 1.692 57.736 56.287 -0.405 0.000 0.928 1201 K CB -0.275 31.751 32.500 -0.789 0.000 0.716 1201 K HN 0.336 nan 8.250 nan 0.000 0.446 1202 L N 1.446 122.604 121.223 -0.108 0.000 2.046 1202 L HA -0.127 4.213 4.340 0.001 0.000 0.208 1202 L C 2.017 178.893 176.870 0.010 0.000 1.077 1202 L CA 1.494 56.313 54.840 -0.035 0.000 0.747 1202 L CB -0.564 41.487 42.059 -0.014 0.000 0.896 1202 L HN 0.277 nan 8.230 nan 0.000 0.432 1203 L N -2.056 119.188 121.223 0.036 0.000 2.046 1203 L HA -0.308 4.033 4.340 0.001 0.000 0.208 1203 L C 2.747 179.656 176.870 0.066 0.000 1.077 1203 L CA 1.429 56.304 54.840 0.058 0.000 0.747 1203 L CB -0.626 41.478 42.059 0.076 0.000 0.896 1203 L HN 0.431 nan 8.230 nan 0.000 0.432 1204 C N 0.846 120.191 119.300 0.075 0.000 2.418 1204 C HA -0.232 4.229 4.460 0.001 0.000 0.280 1204 C C 2.346 177.449 174.990 0.189 0.000 1.223 1204 C CA 1.584 60.714 59.018 0.186 0.000 1.736 1204 C CB -0.752 27.080 27.740 0.152 0.000 2.056 1204 C HN 0.585 nan 8.230 nan 0.000 0.459 1205 D N -0.128 120.333 120.400 0.103 0.000 2.158 1205 D HA -0.166 4.474 4.640 0.001 0.000 0.197 1205 D C 2.111 178.446 176.300 0.057 0.000 0.995 1205 D CA 1.277 55.324 54.000 0.078 0.000 0.846 1205 D CB -0.129 40.690 40.800 0.032 0.000 0.941 1205 D HN 0.560 nan 8.370 nan 0.000 0.456 1206 K N -1.038 119.393 120.400 0.051 0.000 2.504 1206 K HA -0.081 4.239 4.320 0.001 0.000 0.195 1206 K C 1.055 177.671 176.600 0.026 0.000 1.036 1206 K CA 0.443 56.749 56.287 0.032 0.000 0.984 1206 K CB 0.220 32.743 32.500 0.038 0.000 0.788 1206 K HN 0.348 nan 8.250 nan 0.000 0.488 1207 Y N -1.292 118.927 120.300 -0.135 0.000 2.576 1207 Y HA -0.010 4.541 4.550 0.001 0.000 0.282 1207 Y C 1.248 176.931 175.900 -0.362 0.000 1.139 1207 Y CA 0.627 58.539 58.100 -0.314 0.000 1.265 1207 Y CB 0.419 38.569 38.460 -0.516 0.000 1.376 1207 Y HN -0.112 nan 8.280 nan 0.000 0.511 1208 Y N -0.542 119.832 120.300 0.123 0.000 2.509 1208 Y HA 0.194 4.744 4.550 0.000 0.000 0.270 1208 Y C 0.856 176.754 175.900 -0.003 0.000 1.103 1208 Y CA 0.515 58.638 58.100 0.039 0.000 1.278 1208 Y CB -0.005 38.522 38.460 0.112 0.000 1.087 1208 Y HN 0.000 nan 8.280 nan 0.000 0.542 1209 M N -0.553 119.127 119.600 0.133 0.000 2.653 1209 M HA -0.210 4.270 4.480 0.001 0.000 0.203 1209 M C -0.385 175.968 176.300 0.088 0.000 0.502 1209 M CA 0.796 56.141 55.300 0.075 0.000 0.601 1209 M CB -1.990 30.627 32.600 0.028 0.000 2.228 1209 M HN 0.250 nan 8.290 nan 0.000 0.711 1210 A N 0.178 123.077 122.820 0.130 0.000 2.582 1210 A HA 0.833 5.154 4.320 0.001 0.000 0.297 1210 A C -0.241 177.400 177.584 0.095 0.000 1.059 1210 A CA 0.144 52.236 52.037 0.091 0.000 0.705 1210 A CB 1.570 20.611 19.000 0.069 0.000 1.279 1210 A HN 0.839 nan 8.150 nan 0.000 0.404 1211 S N 1.278 117.015 115.700 0.063 0.000 2.543 1211 S HA 0.843 5.313 4.470 0.001 0.000 0.274 1211 S C -3.338 171.307 174.600 0.074 0.000 1.149 1211 S CA -1.125 57.111 58.200 0.059 0.000 0.866 1211 S CB 1.218 64.446 63.200 0.047 0.000 1.111 1211 S HN 0.484 nan 8.310 nan 0.000 0.457 1212 P HA 0.339 nan 4.420 nan 0.000 0.270 1212 P C -0.558 176.848 177.300 0.177 0.000 1.227 1212 P CA 0.058 63.224 63.100 0.109 0.000 0.788 1212 P CB 0.172 31.947 31.700 0.125 0.000 0.926 1213 D N -0.589 119.874 120.400 0.106 0.000 2.506 1213 D HA 0.518 5.159 4.640 0.001 0.000 0.272 1213 D C -0.598 175.676 176.300 -0.044 0.000 1.214 1213 D CA -0.137 53.917 54.000 0.090 0.000 1.067 1213 D CB 0.251 41.067 40.800 0.026 0.000 1.117 1213 D HN 0.127 nan 8.370 nan 0.000 0.578 1214 L N -0.313 120.740 121.223 -0.284 0.000 2.381 1214 L HA 0.505 4.845 4.340 0.001 0.000 0.268 1214 L C -1.344 175.386 176.870 -0.233 0.000 0.997 1214 L CA -0.344 54.234 54.840 -0.438 0.000 0.818 1214 L CB 1.881 43.228 42.059 -1.186 0.000 1.310 1214 L HN 0.309 nan 8.230 nan 0.000 0.416 1215 E N 4.591 124.709 120.200 -0.137 0.000 2.246 1215 E HA 0.533 4.883 4.350 0.001 0.000 0.266 1215 E C -1.553 175.014 176.600 -0.055 0.000 0.880 1215 E CA -0.513 55.840 56.400 -0.078 0.000 0.762 1215 E CB 1.734 31.406 29.700 -0.047 0.000 1.180 1215 E HN 0.627 nan 8.360 nan 0.000 0.416 1216 I N 2.994 123.538 120.570 -0.043 0.000 2.474 1216 I HA 0.339 4.509 4.170 0.001 0.000 0.294 1216 I C -0.455 175.654 176.117 -0.014 0.000 1.005 1216 I CA -0.671 60.616 61.300 -0.023 0.000 1.113 1216 I CB 2.147 40.138 38.000 -0.015 0.000 1.289 1216 I HN 0.438 nan 8.210 nan 0.000 0.436 1217 Q N 4.115 123.910 119.800 -0.009 0.000 2.389 1217 Q HA 0.517 4.857 4.340 0.001 0.000 0.277 1217 Q C -1.615 174.385 176.000 0.000 0.000 1.082 1217 Q CA -0.644 55.157 55.803 -0.003 0.000 0.810 1217 Q CB 3.046 31.784 28.738 -0.001 0.000 1.374 1217 Q HN 0.506 nan 8.270 nan 0.000 0.422 1218 E N 1.016 121.219 120.200 0.005 0.000 2.314 1218 E HA 0.510 4.861 4.350 0.001 0.000 0.272 1218 E C -1.464 175.144 176.600 0.013 0.000 0.884 1218 E CA -0.742 55.663 56.400 0.008 0.000 0.753 1218 E CB 2.436 32.143 29.700 0.012 0.000 1.213 1218 E HN 0.249 nan 8.360 nan 0.000 0.432 1219 V N 2.861 122.784 119.914 0.015 0.000 2.380 1219 V HA 0.146 4.266 4.120 0.001 0.000 0.268 1219 V C -0.264 175.842 176.094 0.019 0.000 1.008 1219 V CA -0.936 61.374 62.300 0.017 0.000 0.823 1219 V CB 0.778 32.611 31.823 0.017 0.000 1.053 1219 V HN 0.564 nan 8.190 nan 0.000 0.446 1220 N N 3.032 121.744 118.700 0.021 0.000 2.406 1220 N HA 0.198 4.938 4.740 0.001 0.000 0.269 1220 N C 1.077 176.599 175.510 0.021 0.000 1.210 1220 N CA 0.578 53.642 53.050 0.024 0.000 0.966 1220 N CB 1.744 40.248 38.487 0.029 0.000 1.293 1220 N HN 0.675 nan 8.380 nan 0.000 0.491 1221 A N 3.092 125.924 122.820 0.020 0.000 1.929 1221 A HA -0.086 4.235 4.320 0.001 0.000 0.216 1221 A C 1.940 179.534 177.584 0.016 0.000 1.176 1221 A CA 1.514 53.562 52.037 0.018 0.000 0.628 1221 A CB -0.522 18.489 19.000 0.019 0.000 0.816 1221 A HN 0.632 nan 8.150 nan 0.000 0.444 1222 T N -0.141 114.424 114.554 0.018 0.000 2.833 1222 T HA -0.031 4.320 4.350 0.001 0.000 0.269 1222 T C 0.685 175.393 174.700 0.013 0.000 1.054 1222 T CA 1.357 63.466 62.100 0.016 0.000 1.135 1222 T CB -0.196 68.682 68.868 0.018 0.000 0.869 1222 T HN 0.465 nan 8.240 nan 0.000 0.466 1223 N N -1.244 117.465 118.700 0.014 0.000 2.431 1223 N HA 0.480 5.221 4.740 0.001 0.000 0.275 1223 N C -0.067 175.452 175.510 0.015 0.000 1.091 1223 N CA -0.083 52.974 53.050 0.012 0.000 0.922 1223 N CB 1.505 39.997 38.487 0.009 0.000 1.666 1223 N HN -0.024 nan 8.380 nan 0.000 0.484 1224 A N 1.355 124.182 122.820 0.013 0.000 2.132 1224 A HA 0.079 4.400 4.320 0.001 0.000 0.213 1224 A C 1.262 178.855 177.584 0.015 0.000 1.154 1224 A CA 1.441 53.486 52.037 0.013 0.000 0.753 1224 A CB 0.023 19.029 19.000 0.011 0.000 0.826 1224 A HN 0.600 nan 8.150 nan 0.000 0.469 1225 T N -1.100 113.463 114.554 0.014 0.000 3.170 1225 T HA 0.211 4.561 4.350 0.001 0.000 0.288 1225 T C 0.254 174.967 174.700 0.021 0.000 0.992 1225 T CA -0.166 61.943 62.100 0.016 0.000 0.909 1225 T CB -0.339 68.537 68.868 0.012 0.000 1.133 1225 T HN 0.563 nan 8.240 nan 0.000 0.530 1226 Q N 1.877 121.692 119.800 0.025 0.000 2.245 1226 Q HA 0.493 4.833 4.340 0.001 0.000 0.256 1226 Q C -2.752 173.286 176.000 0.062 0.000 0.942 1226 Q CA -2.331 53.492 55.803 0.033 0.000 0.896 1226 Q CB 1.450 30.199 28.738 0.019 0.000 1.272 1226 Q HN 0.080 nan 8.270 nan 0.000 0.442 1227 P HA 0.046 nan 4.420 nan 0.000 0.263 1227 P C -0.756 176.690 177.300 0.244 0.000 1.195 1227 P CA 0.508 63.705 63.100 0.161 0.000 0.762 1227 P CB 0.274 32.103 31.700 0.216 0.000 0.799 1228 I N 4.737 125.385 120.570 0.130 0.000 2.587 1228 I HA -0.027 4.143 4.170 0.001 0.000 0.284 1228 I C 0.936 177.115 176.117 0.103 0.000 1.134 1228 I CA 0.633 62.000 61.300 0.112 0.000 1.410 1228 I CB -0.117 37.905 38.000 0.036 0.000 1.392 1228 I HN 0.422 nan 8.210 nan 0.000 0.545 1229 H N 6.399 125.470 119.070 0.002 0.000 2.731 1229 H HA 0.784 5.340 4.556 0.001 0.000 0.368 1229 H C -0.247 175.079 175.328 -0.003 0.000 1.168 1229 H CA -0.744 55.305 56.048 0.002 0.000 1.181 1229 H CB 1.836 31.600 29.762 0.004 0.000 1.743 1229 H HN 0.532 nan 8.280 nan 0.000 0.547 1230 M N -0.997 118.662 119.600 0.099 0.000 2.721 1230 M HA 0.554 5.035 4.480 0.001 0.000 0.271 1230 M C -1.685 174.647 176.300 0.055 0.000 1.259 1230 M CA -1.197 54.138 55.300 0.057 0.000 0.835 1230 M CB 1.784 34.388 32.600 0.006 0.000 1.689 1230 M HN 0.191 nan 8.290 nan 0.000 0.470 1231 V N 2.435 122.371 119.914 0.037 0.000 2.353 1231 V HA 0.482 4.602 4.120 0.001 0.000 0.264 1231 V C -1.193 174.924 176.094 0.038 0.000 1.049 1231 V CA 0.121 62.424 62.300 0.005 0.000 0.896 1231 V CB -0.236 31.573 31.823 -0.024 0.000 1.025 1231 V HN 0.737 nan 8.190 nan 0.000 0.475 1232 Y N 3.059 123.247 120.300 -0.186 0.000 2.725 1232 Y HA 0.520 5.070 4.550 0.000 0.000 0.333 1232 Y C -0.542 175.221 175.900 -0.228 0.000 1.242 1232 Y CA -0.995 56.968 58.100 -0.227 0.000 1.059 1232 Y CB 1.935 40.324 38.460 -0.118 0.000 1.306 1232 Y HN 0.163 nan 8.280 nan 0.000 0.454 1233 V N 5.081 124.526 119.914 -0.782 0.000 2.322 1233 V HA 0.192 4.312 4.120 0.001 0.000 0.258 1233 V C -2.009 174.007 176.094 -0.130 0.000 1.074 1233 V CA -1.204 60.780 62.300 -0.526 0.000 0.909 1233 V CB 0.640 31.933 31.823 -0.885 0.000 1.090 1233 V HN 0.650 nan 8.190 nan 0.000 0.486 1234 P HA -0.187 nan 4.420 nan 0.000 0.216 1234 P C 1.860 179.249 177.300 0.149 0.000 1.150 1234 P CA 1.829 64.976 63.100 0.078 0.000 0.843 1234 P CB 0.163 31.862 31.700 -0.002 0.000 0.787 1235 S N -2.038 113.720 115.700 0.097 0.000 2.383 1235 S HA -0.199 4.271 4.470 0.001 0.000 0.227 1235 S C 1.904 176.636 174.600 0.221 0.000 1.026 1235 S CA 0.925 59.206 58.200 0.135 0.000 0.981 1235 S CB -1.691 61.552 63.200 0.072 0.000 0.818 1235 S HN 0.312 nan 8.310 nan 0.000 0.472 1236 H N 0.534 119.623 119.070 0.032 0.000 2.321 1236 H HA 0.008 4.564 4.556 0.001 0.000 0.300 1236 H C 2.242 177.662 175.328 0.153 0.000 1.087 1236 H CA 1.420 57.459 56.048 -0.014 0.000 1.319 1236 H CB -0.195 29.680 29.762 0.189 0.000 1.379 1236 H HN 0.287 nan 8.280 nan 0.000 0.501 1237 L N 0.677 122.193 121.223 0.489 0.000 2.046 1237 L HA -0.212 4.128 4.340 0.001 0.000 0.208 1237 L C 2.363 179.382 176.870 0.249 0.000 1.077 1237 L CA 1.422 56.473 54.840 0.352 0.000 0.747 1237 L CB -0.860 41.385 42.059 0.309 0.000 0.896 1237 L HN 0.202 nan 8.230 nan 0.000 0.432 1238 Y N -0.556 119.832 120.300 0.148 0.000 2.114 1238 Y HA -0.372 4.179 4.550 0.001 0.000 0.282 1238 Y C 2.818 178.811 175.900 0.155 0.000 1.165 1238 Y CA 2.386 60.562 58.100 0.127 0.000 1.148 1238 Y CB -0.502 38.002 38.460 0.072 0.000 0.972 1238 Y HN 0.495 nan 8.280 nan 0.000 0.504 1239 H N -0.506 118.601 119.070 0.062 0.000 2.357 1239 H HA -0.151 4.405 4.556 0.000 0.000 0.301 1239 H C 2.112 177.438 175.328 -0.004 0.000 1.082 1239 H CA 2.387 58.416 56.048 -0.031 0.000 1.342 1239 H CB -0.186 29.410 29.762 -0.277 0.000 1.389 1239 H HN 0.374 nan 8.280 nan 0.000 0.511 1240 M N -0.465 119.164 119.600 0.047 0.000 2.067 1240 M HA -0.162 4.319 4.480 0.001 0.000 0.260 1240 M C 2.259 178.542 176.300 -0.029 0.000 1.069 1240 M CA 1.537 56.864 55.300 0.046 0.000 1.117 1240 M CB -0.318 32.355 32.600 0.121 0.000 1.334 1240 M HN 0.274 nan 8.290 nan 0.000 0.407 1241 L N -0.882 120.340 121.223 -0.002 0.000 2.201 1241 L HA -0.193 4.147 4.340 0.001 0.000 0.212 1241 L C 2.460 179.382 176.870 0.088 0.000 1.105 1241 L CA 0.840 55.686 54.840 0.010 0.000 0.775 1241 L CB -0.559 41.566 42.059 0.110 0.000 0.913 1241 L HN 0.205 nan 8.230 nan 0.000 0.440 1242 F N 0.979 120.798 119.950 -0.217 0.000 2.113 1242 F HA -0.171 4.357 4.527 0.001 0.000 0.297 1242 F C 2.512 178.202 175.800 -0.183 0.000 1.103 1242 F CA 1.482 59.309 58.000 -0.288 0.000 1.248 1242 F CB -0.099 38.550 39.000 -0.586 0.000 0.999 1242 F HN -0.022 nan 8.300 nan 0.000 0.475 1243 E N 0.818 120.783 120.200 -0.392 0.000 2.051 1243 E HA -0.184 4.167 4.350 0.001 0.000 0.192 1243 E C 2.467 178.881 176.600 -0.310 0.000 0.991 1243 E CA 1.568 57.723 56.400 -0.409 0.000 0.799 1243 E CB -0.819 28.723 29.700 -0.264 0.000 0.748 1243 E HN 0.456 nan 8.360 nan 0.000 0.449 1244 L N -0.597 120.486 121.223 -0.234 0.000 2.056 1244 L HA -0.112 4.229 4.340 0.001 0.000 0.207 1244 L C 2.518 179.249 176.870 -0.232 0.000 1.078 1244 L CA 0.893 55.589 54.840 -0.241 0.000 0.749 1244 L CB -0.487 41.410 42.059 -0.270 0.000 0.901 1244 L HN 0.055 nan 8.230 nan 0.000 0.433 1245 F N 0.702 120.526 119.950 -0.210 0.000 2.126 1245 F HA -0.269 4.259 4.527 0.001 0.000 0.299 1245 F C 2.646 178.325 175.800 -0.201 0.000 1.096 1245 F CA 1.432 59.338 58.000 -0.156 0.000 1.255 1245 F CB -0.140 38.796 39.000 -0.107 0.000 0.997 1245 F HN -0.046 nan 8.300 nan 0.000 0.479 1246 K N -0.050 120.263 120.400 -0.146 0.000 2.032 1246 K HA -0.199 4.121 4.320 0.001 0.000 0.209 1246 K C 1.716 178.242 176.600 -0.124 0.000 1.048 1246 K CA 1.616 57.788 56.287 -0.190 0.000 0.927 1246 K CB -0.422 31.859 32.500 -0.365 0.000 0.712 1246 K HN 0.241 nan 8.250 nan 0.000 0.441 1247 N N 1.093 119.700 118.700 -0.155 0.000 2.058 1247 N HA -0.158 4.582 4.740 0.001 0.000 0.191 1247 N C 1.783 177.219 175.510 -0.123 0.000 1.037 1247 N CA 1.613 54.575 53.050 -0.146 0.000 0.848 1247 N CB -0.552 37.829 38.487 -0.176 0.000 1.021 1247 N HN 0.200 nan 8.380 nan 0.000 0.422 1248 A N 0.988 123.739 122.820 -0.115 0.000 1.933 1248 A HA -0.056 4.264 4.320 0.001 0.000 0.218 1248 A C 2.217 179.773 177.584 -0.047 0.000 1.175 1248 A CA 1.285 53.266 52.037 -0.094 0.000 0.628 1248 A CB -0.477 18.459 19.000 -0.107 0.000 0.814 1248 A HN 0.228 nan 8.150 nan 0.000 0.444 1249 M N -1.324 118.275 119.600 -0.002 0.000 2.254 1249 M HA -0.055 4.425 4.480 0.001 0.000 0.265 1249 M C 2.288 178.535 176.300 -0.088 0.000 1.066 1249 M CA 1.556 56.859 55.300 0.006 0.000 1.123 1249 M CB -0.263 32.367 32.600 0.050 0.000 1.388 1249 M HN 0.524 nan 8.290 nan 0.000 0.425 1250 R N 1.196 121.633 120.500 -0.105 0.000 2.061 1250 R HA -0.084 4.256 4.340 0.001 0.000 0.230 1250 R C 2.269 178.438 176.300 -0.220 0.000 1.140 1250 R CA 1.674 57.655 56.100 -0.199 0.000 0.940 1250 R CB -0.394 29.853 30.300 -0.089 0.000 0.839 1250 R HN 0.278 nan 8.270 nan 0.000 0.429 1251 A N 0.370 123.097 122.820 -0.155 0.000 1.917 1251 A HA -0.194 4.127 4.320 0.001 0.000 0.219 1251 A C 2.224 179.709 177.584 -0.164 0.000 1.182 1251 A CA 2.295 54.240 52.037 -0.153 0.000 0.633 1251 A CB -1.111 17.807 19.000 -0.136 0.000 0.819 1251 A HN 0.557 nan 8.150 nan 0.000 0.448 1252 T N -0.471 114.012 114.554 -0.120 0.000 2.737 1252 T HA -0.101 4.249 4.350 0.001 0.000 0.265 1252 T C 1.914 176.608 174.700 -0.011 0.000 1.038 1252 T CA 1.541 63.621 62.100 -0.032 0.000 1.144 1252 T CB -0.492 68.400 68.868 0.040 0.000 0.866 1252 T HN 0.183 nan 8.240 nan 0.000 0.434 1253 V N 1.648 121.484 119.914 -0.129 0.000 2.255 1253 V HA -0.197 3.924 4.120 0.001 0.000 0.247 1253 V C 2.453 178.430 176.094 -0.195 0.000 1.051 1253 V CA 1.751 63.932 62.300 -0.197 0.000 1.018 1253 V CB -0.630 30.886 31.823 -0.511 0.000 0.641 1253 V HN 0.540 nan 8.190 nan 0.000 0.445 1254 E N 0.503 120.555 120.200 -0.248 0.000 2.265 1254 E HA -0.163 4.187 4.350 0.001 0.000 0.196 1254 E C 2.197 178.695 176.600 -0.170 0.000 0.996 1254 E CA 1.460 57.753 56.400 -0.179 0.000 0.832 1254 E CB -0.106 29.499 29.700 -0.159 0.000 0.756 1254 E HN 0.799 nan 8.360 nan 0.000 0.491 1255 S N -0.510 115.035 115.700 -0.259 0.000 2.503 1255 S HA 0.043 4.513 4.470 0.001 0.000 0.215 1255 S C 0.755 175.085 174.600 -0.449 0.000 1.003 1255 S CA -0.144 57.824 58.200 -0.387 0.000 0.910 1255 S CB 0.130 63.006 63.200 -0.540 0.000 0.790 1255 S HN 0.131 nan 8.310 nan 0.000 0.514 1256 H N 1.343 120.377 119.070 -0.059 0.000 2.693 1256 H HA 0.463 5.019 4.556 0.001 0.000 0.348 1256 H C 0.607 175.915 175.328 -0.033 0.000 1.222 1256 H CA -0.209 55.815 56.048 -0.041 0.000 1.270 1256 H CB 1.336 31.073 29.762 -0.042 0.000 1.798 1256 H HN 0.475 nan 8.280 nan 0.000 0.592 1257 E N -0.562 119.712 120.200 0.124 0.000 2.541 1257 E HA 0.147 4.498 4.350 0.001 0.000 0.219 1257 E C 0.098 176.724 176.600 0.043 0.000 0.922 1257 E CA -0.210 56.225 56.400 0.058 0.000 1.095 1257 E CB 0.857 30.582 29.700 0.041 0.000 1.112 1257 E HN 0.145 nan 8.360 nan 0.000 0.516 1258 S N 0.739 116.465 115.700 0.043 0.000 2.472 1258 S HA 0.254 4.725 4.470 0.001 0.000 0.303 1258 S C 0.708 175.310 174.600 0.003 0.000 1.099 1258 S CA -0.228 57.981 58.200 0.014 0.000 1.077 1258 S CB 1.571 64.770 63.200 -0.002 0.000 1.031 1258 S HN 0.258 nan 8.310 nan 0.000 0.487 1259 S N 4.349 120.051 115.700 0.004 0.000 2.503 1259 S HA 0.138 4.609 4.470 0.001 0.000 0.217 1259 S C 1.140 175.736 174.600 -0.006 0.000 0.999 1259 S CA -0.048 58.155 58.200 0.005 0.000 0.914 1259 S CB -0.444 62.765 63.200 0.015 0.000 0.782 1259 S HN 0.704 nan 8.310 nan 0.000 0.520 1260 L N 2.048 123.264 121.223 -0.011 0.000 2.628 1260 L HA 0.310 4.650 4.340 0.001 0.000 0.229 1260 L C 0.939 177.792 176.870 -0.029 0.000 1.137 1260 L CA 0.372 55.204 54.840 -0.014 0.000 0.909 1260 L CB -0.395 41.659 42.059 -0.008 0.000 1.137 1260 L HN 0.442 nan 8.230 nan 0.000 0.470 1261 T N -3.919 110.604 114.554 -0.052 0.000 3.399 1261 T HA 0.287 4.637 4.350 0.001 0.000 0.305 1261 T C 0.021 174.629 174.700 -0.152 0.000 0.983 1261 T CA -0.398 61.653 62.100 -0.082 0.000 0.967 1261 T CB 0.058 68.880 68.868 -0.077 0.000 1.186 1261 T HN -0.132 nan 8.240 nan 0.000 0.504 1262 L N 3.439 124.582 121.223 -0.132 0.000 2.477 1262 L HA 0.370 4.710 4.340 0.001 0.000 0.272 1262 L C -2.172 174.605 176.870 -0.155 0.000 1.157 1262 L CA -1.752 52.978 54.840 -0.182 0.000 0.889 1262 L CB -0.027 41.989 42.059 -0.073 0.000 1.158 1262 L HN 0.005 nan 8.230 nan 0.000 0.473 1263 P HA 0.064 nan 4.420 nan 0.000 0.262 1263 P C -2.354 174.921 177.300 -0.042 0.000 1.199 1263 P CA -0.638 62.397 63.100 -0.109 0.000 0.763 1263 P CB -0.017 31.621 31.700 -0.103 0.000 0.790 1264 P HA 0.091 nan 4.420 nan 0.000 0.270 1264 P C -0.100 177.199 177.300 -0.001 0.000 1.223 1264 P CA 0.163 63.259 63.100 -0.006 0.000 0.785 1264 P CB 0.470 32.157 31.700 -0.022 0.000 0.923 1265 I N 1.391 121.978 120.570 0.028 0.000 2.371 1265 I HA 0.182 4.352 4.170 0.001 0.000 0.290 1265 I C 0.742 176.853 176.117 -0.010 0.000 1.028 1265 I CA -0.309 61.008 61.300 0.028 0.000 1.345 1265 I CB 0.194 38.284 38.000 0.150 0.000 1.407 1265 I HN 0.255 nan 8.210 nan 0.000 0.501 1266 K N 6.599 126.976 120.400 -0.039 0.000 2.206 1266 K HA 0.621 4.941 4.320 0.001 0.000 0.264 1266 K C -0.762 175.802 176.600 -0.059 0.000 0.967 1266 K CA -0.644 55.619 56.287 -0.039 0.000 0.844 1266 K CB 2.276 34.761 32.500 -0.024 0.000 1.099 1266 K HN 0.365 nan 8.250 nan 0.000 0.441 1267 I N 3.313 123.856 120.570 -0.045 0.000 2.404 1267 I HA 0.316 4.486 4.170 0.001 0.000 0.293 1267 I C -0.708 175.389 176.117 -0.034 0.000 0.992 1267 I CA -0.866 60.402 61.300 -0.054 0.000 1.149 1267 I CB 1.675 39.661 38.000 -0.023 0.000 1.315 1267 I HN 0.638 nan 8.210 nan 0.000 0.446 1268 M N 7.747 127.324 119.600 -0.038 0.000 2.181 1268 M HA 0.451 4.932 4.480 0.001 0.000 0.323 1268 M C -1.488 174.798 176.300 -0.024 0.000 1.004 1268 M CA -0.680 54.608 55.300 -0.020 0.000 0.941 1268 M CB 1.392 33.988 32.600 -0.006 0.000 1.579 1268 M HN 0.195 nan 8.290 nan 0.000 0.427 1269 V N 4.901 124.807 119.914 -0.013 0.000 2.357 1269 V HA 0.877 4.997 4.120 0.001 0.000 0.284 1269 V C -0.283 175.811 176.094 -0.000 0.000 1.018 1269 V CA -0.658 61.634 62.300 -0.014 0.000 0.841 1269 V CB 0.966 32.781 31.823 -0.014 0.000 0.991 1269 V HN 0.959 nan 8.190 nan 0.000 0.437 1270 A N 5.586 128.409 122.820 0.005 0.000 2.318 1270 A HA 0.873 5.193 4.320 0.001 0.000 0.317 1270 A C -1.158 176.440 177.584 0.024 0.000 1.159 1270 A CA -0.525 51.523 52.037 0.019 0.000 0.799 1270 A CB 1.288 20.306 19.000 0.031 0.000 1.194 1270 A HN 0.797 nan 8.150 nan 0.000 0.479 1271 L N 2.986 124.224 121.223 0.025 0.000 2.325 1271 L HA 0.804 5.144 4.340 0.001 0.000 0.281 1271 L C 0.305 177.193 176.870 0.029 0.000 1.004 1271 L CA 0.269 55.125 54.840 0.027 0.000 0.823 1271 L CB 1.465 43.540 42.059 0.026 0.000 1.236 1271 L HN 0.804 nan 8.230 nan 0.000 0.415 1272 G N 2.739 111.558 108.800 0.033 0.000 3.013 1272 G HA2 0.366 4.326 3.960 0.001 0.000 0.278 1272 G HA3 0.366 4.326 3.960 0.001 0.000 0.278 1272 G C 0.005 174.920 174.900 0.026 0.000 1.353 1272 G CA -0.353 44.764 45.100 0.029 0.000 1.043 1272 G HN 0.651 nan 8.290 nan 0.000 0.523 1273 E N -0.993 119.220 120.200 0.022 0.000 2.265 1273 E HA -0.075 4.275 4.350 0.001 0.000 0.196 1273 E C 1.587 178.200 176.600 0.021 0.000 0.996 1273 E CA 1.462 57.873 56.400 0.019 0.000 0.832 1273 E CB 0.401 30.110 29.700 0.015 0.000 0.756 1273 E HN 0.643 nan 8.360 nan 0.000 0.491 1274 E N -0.371 119.845 120.200 0.025 0.000 2.441 1274 E HA 0.000 4.351 4.350 0.001 0.000 0.207 1274 E C -0.463 176.160 176.600 0.038 0.000 0.803 1274 E CA -0.006 56.410 56.400 0.027 0.000 1.240 1274 E CB 0.778 30.490 29.700 0.020 0.000 1.233 1274 E HN 0.025 nan 8.360 nan 0.000 0.590 1275 D N 1.023 121.451 120.400 0.047 0.000 2.252 1275 D HA 0.276 4.917 4.640 0.001 0.000 0.245 1275 D C -1.017 175.323 176.300 0.066 0.000 1.009 1275 D CA -0.514 53.530 54.000 0.073 0.000 0.870 1275 D CB 2.192 43.058 40.800 0.109 0.000 1.251 1275 D HN 0.013 nan 8.370 nan 0.000 0.460 1276 L N 1.332 122.593 121.223 0.063 0.000 2.316 1276 L HA 0.418 4.758 4.340 0.001 0.000 0.280 1276 L C -0.880 176.016 176.870 0.043 0.000 1.006 1276 L CA -0.486 54.372 54.840 0.030 0.000 0.836 1276 L CB 0.819 42.869 42.059 -0.016 0.000 1.221 1276 L HN 0.177 nan 8.230 nan 0.000 0.418 1277 S N 6.388 122.109 115.700 0.034 0.000 2.449 1277 S HA 0.700 5.171 4.470 0.001 0.000 0.310 1277 S C -0.307 174.258 174.600 -0.059 0.000 1.096 1277 S CA -0.358 57.843 58.200 0.002 0.000 1.095 1277 S CB 1.052 64.296 63.200 0.073 0.000 1.007 1277 S HN 0.481 nan 8.310 nan 0.000 0.474 1278 I N 3.113 123.607 120.570 -0.127 0.000 2.418 1278 I HA 0.440 4.611 4.170 0.001 0.000 0.287 1278 I C -0.230 175.788 176.117 -0.165 0.000 1.008 1278 I CA -0.579 60.649 61.300 -0.121 0.000 1.104 1278 I CB 1.652 39.584 38.000 -0.113 0.000 1.264 1278 I HN 0.343 nan 8.210 nan 0.000 0.438 1279 K N 7.239 127.565 120.400 -0.123 0.000 2.274 1279 K HA 0.582 4.903 4.320 0.001 0.000 0.262 1279 K C -0.977 175.529 176.600 -0.157 0.000 0.961 1279 K CA -0.636 55.571 56.287 -0.132 0.000 0.833 1279 K CB 1.697 34.171 32.500 -0.044 0.000 1.102 1279 K HN 0.620 nan 8.250 nan 0.000 0.436 1280 M N 3.751 123.217 119.600 -0.224 0.000 2.044 1280 M HA 0.276 4.757 4.480 0.001 0.000 0.333 1280 M C -1.347 174.824 176.300 -0.215 0.000 1.004 1280 M CA -0.220 54.918 55.300 -0.270 0.000 0.954 1280 M CB 1.174 33.514 32.600 -0.433 0.000 1.468 1280 M HN 0.496 nan 8.290 nan 0.000 0.414 1281 S N 3.971 119.584 115.700 -0.145 0.000 2.442 1281 S HA 0.458 4.929 4.470 0.001 0.000 0.297 1281 S C -0.879 173.646 174.600 -0.125 0.000 1.131 1281 S CA -0.709 57.424 58.200 -0.112 0.000 1.092 1281 S CB 1.041 64.215 63.200 -0.045 0.000 0.998 1281 S HN 0.808 nan 8.310 nan 0.000 0.478 1282 D N 0.759 121.065 120.400 -0.157 0.000 2.490 1282 D HA 0.391 5.032 4.640 0.001 0.000 0.232 1282 D C -0.405 175.747 176.300 -0.246 0.000 1.053 1282 D CA -1.016 52.892 54.000 -0.155 0.000 0.914 1282 D CB 0.901 41.624 40.800 -0.128 0.000 1.431 1282 D HN 0.236 nan 8.370 nan 0.000 0.483 1283 R N 0.584 120.960 120.500 -0.207 0.000 3.311 1283 R HA 0.356 4.696 4.340 0.001 0.000 0.332 1283 R C 0.759 176.980 176.300 -0.132 0.000 1.317 1283 R CA -0.312 55.617 56.100 -0.285 0.000 1.192 1283 R CB 0.470 30.666 30.300 -0.174 0.000 1.454 1283 R HN 0.648 nan 8.270 nan 0.000 0.605 1284 G N -0.784 107.911 108.800 -0.176 0.000 3.262 1284 G HA2 0.170 4.130 3.960 0.001 0.000 0.228 1284 G HA3 0.170 4.130 3.960 0.001 0.000 0.228 1284 G C 1.000 175.778 174.900 -0.202 0.000 1.197 1284 G CA 0.383 45.378 45.100 -0.176 0.000 0.819 1284 G HN 0.529 nan 8.290 nan 0.000 0.531 1285 G N -1.079 107.603 108.800 -0.196 0.000 2.205 1285 G HA2 0.141 4.101 3.960 0.001 0.000 0.261 1285 G HA3 0.141 4.101 3.960 0.001 0.000 0.261 1285 G C 1.208 176.061 174.900 -0.078 0.000 0.980 1285 G CA 0.618 45.639 45.100 -0.132 0.000 0.632 1285 G HN 2.028 nan 8.290 nan 0.000 0.533 1286 G N -2.060 106.686 108.800 -0.091 0.000 2.791 1286 G HA2 0.164 4.125 3.960 0.001 0.000 0.256 1286 G HA3 0.164 4.125 3.960 0.001 0.000 0.256 1286 G C -0.132 174.751 174.900 -0.028 0.000 1.380 1286 G CA 0.381 45.451 45.100 -0.049 0.000 0.904 1286 G HN 1.657 nan 8.290 nan 0.000 0.563 1287 V N 1.265 121.175 119.914 -0.007 0.000 2.760 1287 V HA 0.555 4.675 4.120 0.001 0.000 0.309 1287 V C -2.027 174.076 176.094 0.015 0.000 1.077 1287 V CA -1.179 61.121 62.300 -0.000 0.000 0.910 1287 V CB 2.310 34.127 31.823 -0.009 0.000 1.008 1287 V HN 0.778 nan 8.190 nan 0.000 0.424 1288 P HA 0.058 nan 4.420 nan 0.000 0.267 1288 P C 0.743 178.055 177.300 0.019 0.000 1.201 1288 P CA -0.113 62.998 63.100 0.018 0.000 0.775 1288 P CB 0.618 32.325 31.700 0.012 0.000 0.854 1289 L N 3.097 124.336 121.223 0.027 0.000 2.187 1289 L HA -0.135 4.205 4.340 0.001 0.000 0.213 1289 L C 2.263 179.144 176.870 0.018 0.000 1.100 1289 L CA 1.709 56.568 54.840 0.032 0.000 0.765 1289 L CB -0.649 41.431 42.059 0.035 0.000 0.904 1289 L HN 0.301 nan 8.230 nan 0.000 0.437 1290 R N -0.530 119.974 120.500 0.007 0.000 2.148 1290 R HA -0.114 4.226 4.340 0.001 0.000 0.227 1290 R C 1.601 177.885 176.300 -0.027 0.000 1.103 1290 R CA 1.209 57.306 56.100 -0.004 0.000 0.983 1290 R CB 0.027 30.326 30.300 -0.003 0.000 0.874 1290 R HN 0.353 nan 8.270 nan 0.000 0.451 1291 K N -0.078 120.298 120.400 -0.038 0.000 2.358 1291 K HA 0.122 4.442 4.320 0.001 0.000 0.197 1291 K C 1.511 178.047 176.600 -0.106 0.000 1.025 1291 K CA -0.243 55.984 56.287 -0.100 0.000 1.104 1291 K CB 0.524 32.972 32.500 -0.086 0.000 0.855 1291 K HN 0.148 nan 8.250 nan 0.000 0.531 1292 I N 1.757 122.312 120.570 -0.025 0.000 2.226 1292 I HA -0.231 3.940 4.170 0.001 0.000 0.245 1292 I C 2.180 178.346 176.117 0.082 0.000 1.100 1292 I CA 1.575 62.894 61.300 0.031 0.000 1.374 1292 I CB -0.498 37.556 38.000 0.091 0.000 1.057 1292 I HN 0.310 nan 8.210 nan 0.000 0.413 1293 E N 0.708 120.943 120.200 0.058 0.000 2.058 1293 E HA -0.247 4.104 4.350 0.001 0.000 0.194 1293 E C 2.315 178.941 176.600 0.044 0.000 0.997 1293 E CA 1.189 57.643 56.400 0.090 0.000 0.801 1293 E CB 0.014 29.733 29.700 0.032 0.000 0.746 1293 E HN 0.365 nan 8.360 nan 0.000 0.450 1294 R N 0.295 120.709 120.500 -0.143 0.000 2.113 1294 R HA -0.186 4.154 4.340 0.001 0.000 0.244 1294 R C 2.520 178.600 176.300 -0.366 0.000 1.142 1294 R CA 1.420 57.293 56.100 -0.378 0.000 0.953 1294 R CB -0.424 29.382 30.300 -0.823 0.000 0.860 1294 R HN 0.236 nan 8.270 nan 0.000 0.438 1295 L N -0.560 120.477 121.223 -0.311 0.000 2.137 1295 L HA -0.217 4.123 4.340 0.001 0.000 0.213 1295 L C 1.387 178.086 176.870 -0.284 0.000 1.085 1295 L CA 1.330 56.036 54.840 -0.223 0.000 0.760 1295 L CB -0.351 41.500 42.059 -0.347 0.000 0.893 1295 L HN 0.199 nan 8.230 nan 0.000 0.434 1296 F N -0.846 119.061 119.950 -0.073 0.000 2.664 1296 F HA 0.117 4.644 4.527 0.001 0.000 0.301 1296 F C 1.389 177.084 175.800 -0.175 0.000 1.126 1296 F CA -0.178 57.755 58.000 -0.112 0.000 1.373 1296 F CB 0.033 38.984 39.000 -0.081 0.000 1.042 1296 F HN -0.144 nan 8.300 nan 0.000 0.535 1297 S N -0.711 115.003 115.700 0.024 0.000 2.513 1297 S HA 0.132 4.602 4.470 0.001 0.000 0.276 1297 S C 0.965 175.583 174.600 0.030 0.000 1.254 1297 S CA -0.426 57.801 58.200 0.046 0.000 1.053 1297 S CB 0.468 63.727 63.200 0.098 0.000 0.958 1297 S HN 0.343 nan 8.310 nan 0.000 0.491 1298 Y N 3.219 123.632 120.300 0.187 0.000 2.421 1298 Y HA -0.013 4.536 4.550 -0.000 0.000 0.292 1298 Y C 2.037 178.032 175.900 0.158 0.000 1.136 1298 Y CA 0.628 58.849 58.100 0.202 0.000 1.255 1298 Y CB 0.005 38.601 38.460 0.226 0.000 0.991 1298 Y HN 0.594 nan 8.280 nan 0.000 0.552 1299 M N -1.329 118.415 119.600 0.241 0.000 2.561 1299 M HA 0.022 4.503 4.480 0.001 0.000 0.238 1299 M C -0.575 175.802 176.300 0.128 0.000 1.131 1299 M CA 0.468 55.841 55.300 0.122 0.000 1.046 1299 M CB -0.911 31.708 32.600 0.033 0.000 1.532 1299 M HN 0.156 nan 8.290 nan 0.000 0.497 1300 Y N 0.292 120.593 120.300 0.003 0.000 2.393 1300 Y HA 0.550 5.101 4.550 0.002 0.000 0.341 1300 Y C -0.578 175.284 175.900 -0.064 0.000 0.988 1300 Y CA -0.921 57.157 58.100 -0.036 0.000 1.078 1300 Y CB 1.490 39.925 38.460 -0.042 0.000 1.203 1300 Y HN 0.009 nan 8.280 nan 0.000 0.453 1301 S N 3.318 118.587 115.700 -0.718 0.000 2.570 1301 S HA 0.146 4.616 4.470 0.001 0.000 0.286 1301 S C -0.323 173.879 174.600 -0.663 0.000 1.143 1301 S CA -0.306 57.540 58.200 -0.589 0.000 0.921 1301 S CB 1.476 64.472 63.200 -0.340 0.000 1.108 1301 S HN 0.790 nan 8.310 nan 0.000 0.456 1302 T N 2.692 116.921 114.554 -0.541 0.000 3.129 1302 T HA 0.507 4.858 4.350 0.001 0.000 0.251 1302 T C 0.498 175.049 174.700 -0.248 0.000 1.117 1302 T CA 0.937 62.818 62.100 -0.365 0.000 1.034 1302 T CB -0.385 68.331 68.868 -0.252 0.000 0.968 1302 T HN 0.852 nan 8.240 nan 0.000 0.526 1303 A N 1.633 124.288 122.820 -0.275 0.000 2.330 1303 A HA 0.786 5.106 4.320 0.001 0.000 0.329 1303 A C -2.587 174.853 177.584 -0.240 0.000 1.135 1303 A CA -1.884 50.012 52.037 -0.235 0.000 0.817 1303 A CB 0.571 19.405 19.000 -0.275 0.000 1.269 1303 A HN 0.138 nan 8.150 nan 0.000 0.469 1304 P HA -0.017 nan 4.420 nan 0.000 0.269 1304 P C 1.042 178.223 177.300 -0.199 0.000 1.200 1304 P CA 0.522 63.529 63.100 -0.155 0.000 0.779 1304 P CB 0.271 31.904 31.700 -0.111 0.000 0.841 1305 T N 1.081 115.560 114.554 -0.124 0.000 2.721 1305 T HA -0.105 4.246 4.350 0.001 0.000 0.268 1305 T C -1.096 173.538 174.700 -0.111 0.000 1.038 1305 T CA 1.298 63.342 62.100 -0.092 0.000 1.145 1305 T CB -1.604 67.250 68.868 -0.023 0.000 0.858 1305 T HN 0.554 nan 8.240 nan 0.000 0.459 1315 L N -2.015 119.044 121.223 -0.273 0.000 3.188 1315 L HA 0.685 5.026 4.340 0.001 0.000 0.327 1315 L C -0.499 176.346 176.870 -0.041 0.000 1.009 1315 L CA 1.064 55.801 54.840 -0.171 0.000 1.373 1315 L CB 0.848 42.718 42.059 -0.315 0.000 2.331 1315 L HN 0.248 nan 8.230 nan 0.000 0.594 1316 A N -1.784 120.858 122.820 -0.297 0.000 2.602 1316 A HA 0.669 4.990 4.320 0.001 0.000 0.290 1316 A C 0.374 177.306 177.584 -1.087 0.000 1.114 1316 A CA 0.422 52.130 52.037 -0.549 0.000 0.683 1316 A CB 1.303 20.106 19.000 -0.328 0.000 1.281 1316 A HN 0.501 nan 8.150 nan 0.000 0.416 1317 G N -1.820 106.276 108.800 -1.174 0.000 2.551 1317 G HA2 -0.087 3.873 3.960 0.001 0.000 0.186 1317 G HA3 -0.087 3.873 3.960 0.001 0.000 0.186 1317 G C 0.706 175.111 174.900 -0.824 0.000 1.002 1317 G CA 0.604 45.150 45.100 -0.923 0.000 0.723 1317 G HN 0.941 nan 8.290 nan 0.000 0.481 1318 F N 1.121 120.919 119.950 -0.253 0.000 2.163 1318 F HA 0.360 4.887 4.527 0.000 0.000 0.297 1318 F C 2.372 177.983 175.800 -0.315 0.000 1.094 1318 F CA 1.222 59.001 58.000 -0.370 0.000 1.290 1318 F CB -0.482 37.985 39.000 -0.888 0.000 1.017 1318 F HN 0.877 nan 8.300 nan 0.000 0.483 1319 G N 0.078 108.758 108.800 -0.200 0.000 2.143 1319 G HA2 -0.355 3.606 3.960 0.001 0.000 0.248 1319 G HA3 -0.355 3.606 3.960 0.001 0.000 0.248 1319 G C 0.290 175.222 174.900 0.052 0.000 0.991 1319 G CA 0.609 45.657 45.100 -0.088 0.000 0.689 1319 G HN 0.690 nan 8.290 nan 0.000 0.522 1320 Y N -3.246 117.137 120.300 0.137 0.000 2.610 1320 Y HA 0.518 5.068 4.550 0.000 0.000 0.254 1320 Y C 1.857 177.788 175.900 0.051 0.000 1.110 1320 Y CA 0.055 58.219 58.100 0.107 0.000 1.238 1320 Y CB -0.513 38.090 38.460 0.237 0.000 1.322 1320 Y HN 0.163 nan 8.280 nan 0.000 0.547 1321 G N 1.946 110.738 108.800 -0.013 0.000 2.440 1321 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 1321 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 1321 G C 1.464 176.375 174.900 0.017 0.000 1.154 1321 G CA 1.412 46.515 45.100 0.004 0.000 0.767 1321 G HN 0.428 nan 8.290 nan 0.000 0.552 1322 L N 0.596 121.782 121.223 -0.062 0.000 2.049 1322 L HA 0.025 4.366 4.340 0.001 0.000 0.203 1322 L C 0.060 176.991 176.870 0.102 0.000 1.074 1322 L CA 0.873 55.654 54.840 -0.099 0.000 0.749 1322 L CB -0.679 41.119 42.059 -0.436 0.000 0.907 1322 L HN 0.160 nan 8.230 nan 0.000 0.439 1323 P HA -0.150 nan 4.420 nan 0.000 0.216 1323 P C 1.606 178.994 177.300 0.147 0.000 1.150 1323 P CA 1.406 64.540 63.100 0.058 0.000 0.837 1323 P CB 0.094 31.449 31.700 -0.576 0.000 0.786 1324 I N -0.953 119.717 120.570 0.167 0.000 2.286 1324 I HA -0.174 3.997 4.170 0.001 0.000 0.245 1324 I C 2.306 178.591 176.117 0.280 0.000 1.104 1324 I CA 1.498 62.897 61.300 0.165 0.000 1.397 1324 I CB -1.105 36.980 38.000 0.142 0.000 1.072 1324 I HN -0.139 nan 8.210 nan 0.000 0.417 1325 S N 0.242 116.151 115.700 0.348 0.000 2.374 1325 S HA -0.270 4.200 4.470 0.001 0.000 0.227 1325 S C 2.202 176.999 174.600 0.329 0.000 1.037 1325 S CA 1.508 59.937 58.200 0.381 0.000 1.024 1325 S CB -0.410 62.911 63.200 0.201 0.000 0.861 1325 S HN 0.396 nan 8.310 nan 0.000 0.456 1326 R N 0.910 121.574 120.500 0.272 0.000 2.115 1326 R HA -0.002 4.338 4.340 0.001 0.000 0.230 1326 R C 2.107 178.520 176.300 0.188 0.000 1.111 1326 R CA 0.937 57.172 56.100 0.226 0.000 0.976 1326 R CB -0.392 30.023 30.300 0.193 0.000 0.870 1326 R HN 0.392 nan 8.270 nan 0.000 0.445 1327 L N -0.278 121.036 121.223 0.153 0.000 2.017 1327 L HA -0.201 4.139 4.340 0.001 0.000 0.208 1327 L C 2.278 179.185 176.870 0.062 0.000 1.073 1327 L CA 1.559 56.436 54.840 0.062 0.000 0.745 1327 L CB -0.752 41.288 42.059 -0.031 0.000 0.894 1327 L HN 0.195 nan 8.230 nan 0.000 0.432 1328 Y N -0.015 120.354 120.300 0.115 0.000 2.193 1328 Y HA -0.316 4.235 4.550 0.001 0.000 0.285 1328 Y C 2.645 178.736 175.900 0.318 0.000 1.166 1328 Y CA 1.262 59.445 58.100 0.138 0.000 1.181 1328 Y CB -0.372 38.161 38.460 0.121 0.000 0.976 1328 Y HN 0.185 nan 8.280 nan 0.000 0.520 1329 A N 0.129 123.204 122.820 0.424 0.000 1.897 1329 A HA -0.147 4.173 4.320 0.001 0.000 0.215 1329 A C 2.156 179.944 177.584 0.339 0.000 1.181 1329 A CA 1.396 53.659 52.037 0.377 0.000 0.620 1329 A CB -0.325 18.838 19.000 0.272 0.000 0.821 1329 A HN 0.313 nan 8.150 nan 0.000 0.443 1330 K N -1.344 119.215 120.400 0.266 0.000 2.148 1330 K HA -0.156 4.164 4.320 0.001 0.000 0.204 1330 K C 1.879 178.615 176.600 0.227 0.000 1.050 1330 K CA 1.365 57.777 56.287 0.209 0.000 0.942 1330 K CB -0.502 32.086 32.500 0.147 0.000 0.724 1330 K HN 0.574 nan 8.250 nan 0.000 0.446 1331 Y N 1.210 121.572 120.300 0.103 0.000 2.069 1331 Y HA -0.237 4.313 4.550 0.000 0.000 0.278 1331 Y C 1.145 177.015 175.900 -0.049 0.000 1.175 1331 Y CA 1.496 59.579 58.100 -0.028 0.000 1.134 1331 Y CB -0.544 37.861 38.460 -0.091 0.000 0.965 1331 Y HN -0.060 nan 8.280 nan 0.000 0.498 1332 F N 1.470 121.429 119.950 0.015 0.000 2.819 1332 F HA 0.199 4.727 4.527 0.001 0.000 0.294 1332 F C 0.341 176.188 175.800 0.078 0.000 1.166 1332 F CA -0.180 57.781 58.000 -0.064 0.000 1.374 1332 F CB 0.022 39.051 39.000 0.048 0.000 0.956 1332 F HN 0.018 nan 8.300 nan 0.000 0.509 1333 Q N -0.460 119.466 119.800 0.209 0.000 2.488 1333 Q HA -0.127 4.214 4.340 0.001 0.000 0.279 1333 Q C 0.293 176.397 176.000 0.174 0.000 1.174 1333 Q CA 0.729 56.630 55.803 0.164 0.000 0.888 1333 Q CB -1.786 27.038 28.738 0.143 0.000 1.254 1333 Q HN 0.666 nan 8.270 nan 0.000 0.475 1334 G N -0.727 108.201 108.800 0.213 0.000 3.099 1334 G HA2 0.669 4.630 3.960 0.001 0.000 0.151 1334 G HA3 0.669 4.630 3.960 0.001 0.000 0.151 1334 G C -0.778 174.238 174.900 0.194 0.000 1.265 1334 G CA 0.458 45.681 45.100 0.206 0.000 0.981 1334 G HN 0.128 nan 8.290 nan 0.000 0.601 1335 D N -2.277 118.273 120.400 0.249 0.000 2.742 1335 D HA 0.396 5.036 4.640 0.001 0.000 0.262 1335 D C -1.825 174.652 176.300 0.296 0.000 1.240 1335 D CA -0.459 53.686 54.000 0.241 0.000 0.752 1335 D CB 1.624 42.539 40.800 0.192 0.000 1.290 1335 D HN 0.332 nan 8.370 nan 0.000 0.420 1336 L N 1.770 123.123 121.223 0.216 0.000 2.406 1336 L HA 0.534 4.875 4.340 0.001 0.000 0.272 1336 L C -1.214 175.755 176.870 0.165 0.000 0.980 1336 L CA -0.233 54.710 54.840 0.172 0.000 0.831 1336 L CB 1.364 43.526 42.059 0.172 0.000 1.253 1336 L HN 0.333 nan 8.230 nan 0.000 0.406 1337 Q N 4.383 124.291 119.800 0.180 0.000 2.356 1337 Q HA 0.539 4.879 4.340 0.001 0.000 0.270 1337 Q C -1.612 174.337 176.000 -0.085 0.000 1.058 1337 Q CA -0.835 55.100 55.803 0.221 0.000 0.802 1337 Q CB 3.417 32.492 28.738 0.561 0.000 1.303 1337 Q HN 0.458 nan 8.270 nan 0.000 0.444 1338 L N 3.154 124.395 121.223 0.030 0.000 2.313 1338 L HA 0.564 4.904 4.340 0.001 0.000 0.283 1338 L C -1.544 175.290 176.870 -0.060 0.000 1.013 1338 L CA -0.153 54.565 54.840 -0.204 0.000 0.816 1338 L CB 0.799 42.872 42.059 0.023 0.000 1.236 1338 L HN 0.491 nan 8.230 nan 0.000 0.419 1339 F N 1.467 121.459 119.950 0.068 0.000 2.518 1339 F HA 0.714 5.241 4.527 0.000 0.000 0.323 1339 F C 0.185 176.010 175.800 0.042 0.000 1.129 1339 F CA -0.768 57.268 58.000 0.060 0.000 0.920 1339 F CB 1.818 40.855 39.000 0.062 0.000 1.160 1339 F HN 0.296 nan 8.300 nan 0.000 0.440 1340 S N 2.642 118.453 115.700 0.186 0.000 2.648 1340 S HA 0.781 5.252 4.470 0.001 0.000 0.305 1340 S C -0.788 173.895 174.600 0.138 0.000 1.094 1340 S CA -0.810 57.459 58.200 0.115 0.000 0.983 1340 S CB 1.430 64.662 63.200 0.053 0.000 1.101 1340 S HN 0.678 nan 8.310 nan 0.000 0.514 1341 M N 2.720 122.406 119.600 0.143 0.000 2.022 1341 M HA 0.290 4.771 4.480 0.001 0.000 0.298 1341 M C -0.554 175.827 176.300 0.135 0.000 0.909 1341 M CA -0.326 55.068 55.300 0.156 0.000 0.914 1341 M CB 1.572 34.312 32.600 0.234 0.000 1.486 1341 M HN 0.703 nan 8.290 nan 0.000 0.415 1342 E N 1.763 122.014 120.200 0.086 0.000 2.529 1342 E HA 0.177 4.527 4.350 0.001 0.000 0.259 1342 E C 1.126 177.776 176.600 0.083 0.000 0.966 1342 E CA 1.567 58.004 56.400 0.063 0.000 0.937 1342 E CB 0.451 30.176 29.700 0.041 0.000 0.923 1342 E HN 0.891 nan 8.360 nan 0.000 0.468 1343 G N 3.371 112.214 108.800 0.071 0.000 2.234 1343 G HA2 -0.329 3.632 3.960 0.001 0.000 0.235 1343 G HA3 -0.329 3.632 3.960 0.001 0.000 0.235 1343 G C 0.233 175.233 174.900 0.167 0.000 0.997 1343 G CA 0.288 45.441 45.100 0.087 0.000 0.623 1343 G HN 0.597 nan 8.290 nan 0.000 0.514 1344 F N 1.006 120.954 119.950 -0.003 0.000 2.362 1344 F HA 0.581 5.108 4.527 0.000 0.000 0.264 1344 F C 1.264 177.066 175.800 0.004 0.000 0.905 1344 F CA 2.012 60.016 58.000 0.007 0.000 1.142 1344 F CB 0.548 39.557 39.000 0.015 0.000 1.250 1344 F HN 0.831 nan 8.300 nan 0.000 0.771 1345 G N -0.570 108.074 108.800 -0.260 0.000 2.341 1345 G HA2 0.421 4.381 3.960 0.001 0.000 0.299 1345 G HA3 0.421 4.381 3.960 0.001 0.000 0.299 1345 G C -1.580 173.234 174.900 -0.143 0.000 1.274 1345 G CA 0.058 44.943 45.100 -0.359 0.000 0.853 1345 G HN 0.303 nan 8.290 nan 0.000 0.493 1346 T N -0.338 114.124 114.554 -0.153 0.000 2.900 1346 T HA 0.602 4.952 4.350 0.001 0.000 0.303 1346 T C -2.065 172.566 174.700 -0.116 0.000 1.142 1346 T CA -0.540 61.506 62.100 -0.090 0.000 1.007 1346 T CB 2.006 70.807 68.868 -0.112 0.000 1.156 1346 T HN 0.354 nan 8.240 nan 0.000 0.490 1347 D N 2.031 122.354 120.400 -0.127 0.000 2.278 1347 D HA 0.640 5.280 4.640 0.001 0.000 0.245 1347 D C -0.724 175.254 176.300 -0.535 0.000 1.052 1347 D CA -0.167 53.695 54.000 -0.230 0.000 0.834 1347 D CB 1.798 42.594 40.800 -0.006 0.000 1.194 1347 D HN 0.711 nan 8.370 nan 0.000 0.481 1348 A N 2.078 124.638 122.820 -0.434 0.000 2.287 1348 A HA 0.611 4.931 4.320 0.001 0.000 0.317 1348 A C -0.703 176.632 177.584 -0.414 0.000 1.220 1348 A CA -0.591 51.182 52.037 -0.440 0.000 0.835 1348 A CB 0.860 19.673 19.000 -0.312 0.000 1.180 1348 A HN 0.331 nan 8.150 nan 0.000 0.500 1349 V N 4.466 124.106 119.914 -0.456 0.000 2.483 1349 V HA 0.344 4.464 4.120 0.001 0.000 0.297 1349 V C -0.388 175.446 176.094 -0.434 0.000 1.027 1349 V CA -0.222 61.828 62.300 -0.417 0.000 0.855 1349 V CB 1.533 33.131 31.823 -0.375 0.000 0.995 1349 V HN 0.775 nan 8.190 nan 0.000 0.424 1350 I N 5.597 125.955 120.570 -0.352 0.000 2.304 1350 I HA 0.389 4.559 4.170 0.001 0.000 0.291 1350 I C -0.905 175.054 176.117 -0.263 0.000 1.018 1350 I CA -0.333 60.839 61.300 -0.213 0.000 1.260 1350 I CB 0.531 38.473 38.000 -0.096 0.000 1.390 1350 I HN 0.502 nan 8.210 nan 0.000 0.475 1351 Y N 6.690 127.019 120.300 0.048 0.000 2.330 1351 Y HA 0.676 5.226 4.550 0.001 0.000 0.336 1351 Y C 0.016 175.934 175.900 0.030 0.000 1.036 1351 Y CA -0.705 57.418 58.100 0.039 0.000 1.125 1351 Y CB 1.108 39.603 38.460 0.058 0.000 1.194 1351 Y HN 0.345 nan 8.280 nan 0.000 0.469 1352 L N 2.464 123.769 121.223 0.137 0.000 2.257 1352 L HA 0.607 4.947 4.340 0.001 0.000 0.257 1352 L C -0.575 176.341 176.870 0.076 0.000 1.033 1352 L CA -1.676 53.202 54.840 0.063 0.000 0.835 1352 L CB 1.313 43.294 42.059 -0.131 0.000 1.398 1352 L HN 0.349 nan 8.230 nan 0.000 0.429 1353 K N 0.723 121.169 120.400 0.076 0.000 2.276 1353 K HA 0.323 4.643 4.320 0.001 0.000 0.283 1353 K C 0.496 177.116 176.600 0.033 0.000 1.044 1353 K CA -0.069 56.257 56.287 0.064 0.000 0.944 1353 K CB 1.664 34.212 32.500 0.079 0.000 1.012 1353 K HN 0.758 nan 8.250 nan 0.000 0.472 1354 A N 3.981 126.820 122.820 0.031 0.000 2.016 1354 A HA 0.069 4.389 4.320 0.001 0.000 0.217 1354 A C 0.746 178.344 177.584 0.022 0.000 1.162 1354 A CA 0.646 52.695 52.037 0.020 0.000 0.662 1354 A CB -0.013 19.002 19.000 0.024 0.000 0.812 1354 A HN 0.574 nan 8.150 nan 0.000 0.450 1355 L N 0.019 121.258 121.223 0.027 0.000 2.295 1355 L HA 0.267 4.608 4.340 0.001 0.000 0.285 1355 L C 1.167 178.051 176.870 0.024 0.000 1.035 1355 L CA -0.591 54.263 54.840 0.023 0.000 0.806 1355 L CB 1.782 43.854 42.059 0.023 0.000 1.214 1355 L HN 0.117 nan 8.230 nan 0.000 0.426 1356 S N -0.031 115.678 115.700 0.015 0.000 2.419 1356 S HA -0.178 4.292 4.470 0.001 0.000 0.235 1356 S C 1.737 176.348 174.600 0.019 0.000 1.019 1356 S CA 1.548 59.752 58.200 0.007 0.000 0.982 1356 S CB -0.153 63.045 63.200 -0.003 0.000 0.789 1356 S HN 0.800 nan 8.310 nan 0.000 0.490 1357 T N 1.094 115.661 114.554 0.021 0.000 3.051 1357 T HA -0.046 4.305 4.350 0.001 0.000 0.269 1357 T C 0.964 175.686 174.700 0.035 0.000 1.127 1357 T CA 0.861 62.975 62.100 0.024 0.000 1.107 1357 T CB -0.206 68.673 68.868 0.018 0.000 0.898 1357 T HN 0.282 nan 8.240 nan 0.000 0.517 1358 D N 0.212 120.638 120.400 0.044 0.000 2.407 1358 D HA 0.148 4.788 4.640 0.001 0.000 0.208 1358 D C 0.113 176.463 176.300 0.084 0.000 1.083 1358 D CA 0.137 54.171 54.000 0.056 0.000 0.844 1358 D CB 0.557 41.388 40.800 0.051 0.000 0.967 1358 D HN 0.229 nan 8.370 nan 0.000 0.506 1359 S N 1.435 117.189 115.700 0.090 0.000 3.036 1359 S HA 0.273 4.743 4.470 0.001 0.000 0.301 1359 S C 0.369 175.097 174.600 0.213 0.000 1.205 1359 S CA -0.604 57.681 58.200 0.142 0.000 0.999 1359 S CB 0.640 63.863 63.200 0.038 0.000 1.337 1359 S HN 0.111 nan 8.310 nan 0.000 0.515 1360 V N 0.776 120.817 119.914 0.212 0.000 2.459 1360 V HA 0.539 4.659 4.120 0.001 0.000 0.295 1360 V C 0.052 176.232 176.094 0.142 0.000 1.029 1360 V CA -1.245 61.179 62.300 0.207 0.000 0.874 1360 V CB 1.367 33.259 31.823 0.115 0.000 0.985 1360 V HN 0.800 nan 8.190 nan 0.000 0.438 1361 E N 5.184 125.409 120.200 0.043 0.000 2.452 1361 E HA 0.084 4.434 4.350 0.001 0.000 0.261 1361 E C -0.101 176.420 176.600 -0.132 0.000 0.987 1361 E CA -0.418 55.716 56.400 -0.444 0.000 0.926 1361 E CB 0.797 30.199 29.700 -0.497 0.000 0.934 1361 E HN 0.901 nan 8.360 nan 0.000 0.452 1362 R N 3.665 124.109 120.500 -0.093 0.000 2.598 1362 R HA 0.578 4.918 4.340 0.001 0.000 0.279 1362 R C -1.038 175.322 176.300 0.100 0.000 0.984 1362 R CA -0.614 55.511 56.100 0.042 0.000 0.999 1362 R CB 0.788 31.124 30.300 0.060 0.000 1.114 1362 R HN 0.656 nan 8.270 nan 0.000 0.493 1363 L N 2.599 123.870 121.223 0.079 0.000 2.465 1363 L HA 0.531 4.871 4.340 0.001 0.000 0.257 1363 L C -2.306 174.587 176.870 0.039 0.000 0.988 1363 L CA -2.429 52.453 54.840 0.069 0.000 0.827 1363 L CB 2.136 44.241 42.059 0.077 0.000 1.397 1363 L HN 0.620 nan 8.230 nan 0.000 0.410 1364 P HA 0.180 nan 4.420 nan 0.000 0.272 1364 P C 0.147 177.458 177.300 0.020 0.000 1.230 1364 P CA -0.372 62.723 63.100 -0.008 0.000 0.788 1364 P CB 0.662 32.322 31.700 -0.067 0.000 0.949 1365 V N 0.000 119.935 119.914 0.035 0.000 2.409 1365 V HA 0.000 4.120 4.120 0.001 0.000 0.244 1365 V CA 0.000 62.333 62.300 0.055 0.000 1.235 1365 V CB 0.000 31.864 31.823 0.068 0.000 1.184 1365 V HN 0.000 nan 8.190 nan 0.000 0.556